USER MOD reduce.3.24.130724 H: found=0, std=0, add=390, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 390 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 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 67:sc= 0.407 USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 140:sc= 0.399 (180deg=-2.39!) USER MOD Single : A 34 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.205) USER MOD Single : A 43 LYS NZ :NH3+ -148:sc= -2.58! (180deg=-3.38!) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.375 USER MOD Single : A 48 ASN : amide:sc= -10.5! C(o=-10!,f=-12!) USER MOD Single : A 49 ASN :FLIP amide:sc= -0.929 F(o=-1.7,f=-0.93) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.00125) USER MOD Single : A 56 THR OG1 : rot 59:sc= 0.6 USER MOD Single : A 57 SER OG : rot -40:sc= 0.77 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.102 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.0946 K(o=-0.095,f=-1.3!) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 21 1.424 20.035 -5.969 1.00 0.00 N ATOM 2 CA LYS A 21 0.474 18.885 -5.861 1.00 0.00 C ATOM 3 C LYS A 21 0.203 18.418 -7.278 1.00 0.00 C ATOM 4 O LYS A 21 0.000 17.261 -7.558 1.00 0.00 O ATOM 5 CB LYS A 21 -0.841 19.337 -5.169 1.00 0.00 C ATOM 6 CG LYS A 21 -0.925 18.796 -3.717 1.00 0.00 C ATOM 7 CD LYS A 21 -1.651 17.436 -3.688 1.00 0.00 C ATOM 8 CE LYS A 21 -3.170 17.646 -3.631 1.00 0.00 C ATOM 9 NZ LYS A 21 -3.848 16.325 -3.488 1.00 0.00 N ATOM 0 HA LYS A 21 0.892 18.078 -5.259 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.894 20.426 -5.158 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.697 18.982 -5.742 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.078 18.688 -3.304 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.454 19.511 -3.086 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.390 16.857 -4.574 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.324 16.859 -2.823 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.428 18.292 -2.792 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.513 18.147 -4.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.878 16.466 -3.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.611 15.723 -4.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -3.528 15.864 -2.612 1.00 0.00 H new ATOM 23 N LEU A 22 0.230 19.350 -8.151 1.00 0.00 N ATOM 24 CA LEU A 22 0.003 19.111 -9.593 1.00 0.00 C ATOM 25 C LEU A 22 0.755 17.865 -10.097 1.00 0.00 C ATOM 26 O LEU A 22 0.152 16.915 -10.548 1.00 0.00 O ATOM 27 CB LEU A 22 0.554 20.362 -10.267 1.00 0.00 C ATOM 28 CG LEU A 22 0.833 20.149 -11.757 1.00 0.00 C ATOM 29 CD1 LEU A 22 -0.423 19.629 -12.463 1.00 0.00 C ATOM 30 CD2 LEU A 22 1.242 21.482 -12.386 1.00 0.00 C ATOM 0 H LEU A 22 0.410 20.327 -7.920 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.050 18.929 -9.809 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.157 21.179 -10.147 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.474 20.665 -9.768 1.00 0.00 H new ATOM 0 HG LEU A 22 1.634 19.418 -11.867 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.211 19.482 -13.522 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.724 18.681 -12.018 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.229 20.354 -12.352 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.442 21.337 -13.448 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.435 22.205 -12.264 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.141 21.855 -11.895 1.00 0.00 H new ATOM 42 N LEU A 23 2.061 17.869 -10.049 1.00 0.00 N ATOM 43 CA LEU A 23 2.832 16.699 -10.553 1.00 0.00 C ATOM 44 C LEU A 23 2.932 15.706 -9.432 1.00 0.00 C ATOM 45 O LEU A 23 2.805 14.513 -9.608 1.00 0.00 O ATOM 46 CB LEU A 23 4.216 17.177 -10.990 1.00 0.00 C ATOM 47 CG LEU A 23 5.094 16.001 -11.433 1.00 0.00 C ATOM 48 CD1 LEU A 23 4.469 15.305 -12.651 1.00 0.00 C ATOM 49 CD2 LEU A 23 6.482 16.532 -11.807 1.00 0.00 C ATOM 0 H LEU A 23 2.626 18.634 -9.682 1.00 0.00 H new ATOM 0 HA LEU A 23 2.345 16.231 -11.409 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.116 17.889 -11.810 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.698 17.705 -10.167 1.00 0.00 H new ATOM 0 HG LEU A 23 5.175 15.282 -10.618 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.101 14.471 -12.957 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.479 14.933 -12.389 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.383 16.016 -13.472 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.115 15.703 -12.124 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.389 17.250 -12.622 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.930 17.021 -10.942 1.00 0.00 H new ATOM 61 N ILE A 24 3.117 16.209 -8.267 1.00 0.00 N ATOM 62 CA ILE A 24 3.192 15.338 -7.082 1.00 0.00 C ATOM 63 C ILE A 24 1.916 14.487 -7.084 1.00 0.00 C ATOM 64 O ILE A 24 1.829 13.458 -6.445 1.00 0.00 O ATOM 65 CB ILE A 24 3.285 16.226 -5.816 1.00 0.00 C ATOM 66 CG1 ILE A 24 3.697 17.670 -6.225 1.00 0.00 C ATOM 67 CG2 ILE A 24 4.314 15.638 -4.836 1.00 0.00 C ATOM 68 CD1 ILE A 24 4.234 18.443 -5.014 1.00 0.00 C ATOM 0 H ILE A 24 3.222 17.206 -8.077 1.00 0.00 H new ATOM 0 HA ILE A 24 4.068 14.689 -7.094 1.00 0.00 H new ATOM 0 HB ILE A 24 2.313 16.257 -5.324 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.458 17.630 -7.004 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.838 18.193 -6.645 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.373 16.268 -3.949 1.00 0.00 H new ATOM 0 HG22 ILE A 24 4.008 14.633 -4.547 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.291 15.596 -5.317 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.516 19.450 -5.321 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.461 18.501 -4.247 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.106 17.928 -4.612 1.00 0.00 H new ATOM 80 N THR A 25 0.930 14.927 -7.836 1.00 0.00 N ATOM 81 CA THR A 25 -0.354 14.170 -7.937 1.00 0.00 C ATOM 82 C THR A 25 -0.369 13.358 -9.241 1.00 0.00 C ATOM 83 O THR A 25 -0.668 12.183 -9.240 1.00 0.00 O ATOM 84 CB THR A 25 -1.532 15.151 -7.938 1.00 0.00 C ATOM 85 OG1 THR A 25 -1.603 15.804 -6.678 1.00 0.00 O ATOM 86 CG2 THR A 25 -2.835 14.391 -8.187 1.00 0.00 C ATOM 0 H THR A 25 0.965 15.785 -8.386 1.00 0.00 H new ATOM 0 HA THR A 25 -0.443 13.496 -7.085 1.00 0.00 H new ATOM 0 HB THR A 25 -1.386 15.889 -8.727 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.818 16.379 -6.563 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.670 15.091 -8.187 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.784 13.887 -9.152 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.981 13.652 -7.399 1.00 0.00 H new ATOM 94 N ILE A 26 -0.048 13.971 -10.355 1.00 0.00 N ATOM 95 CA ILE A 26 -0.053 13.217 -11.648 1.00 0.00 C ATOM 96 C ILE A 26 0.950 12.095 -11.573 1.00 0.00 C ATOM 97 O ILE A 26 0.731 10.987 -12.021 1.00 0.00 O ATOM 98 CB ILE A 26 0.373 14.150 -12.782 1.00 0.00 C ATOM 99 CG1 ILE A 26 -0.673 15.265 -12.959 1.00 0.00 C ATOM 100 CG2 ILE A 26 0.498 13.352 -14.087 1.00 0.00 C ATOM 101 CD1 ILE A 26 -0.028 16.476 -13.637 1.00 0.00 C ATOM 0 H ILE A 26 0.215 14.954 -10.425 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.054 12.827 -11.830 1.00 0.00 H new ATOM 0 HB ILE A 26 1.337 14.596 -12.536 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.507 14.902 -13.559 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.079 15.553 -11.989 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.802 14.019 -14.894 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.245 12.568 -13.964 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.464 12.901 -14.332 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.772 17.263 -13.760 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.791 16.845 -13.020 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.357 16.184 -14.614 1.00 0.00 H new ATOM 113 N HIS A 27 2.060 12.405 -11.032 1.00 0.00 N ATOM 114 CA HIS A 27 3.142 11.415 -10.920 1.00 0.00 C ATOM 115 C HIS A 27 2.687 10.262 -10.019 1.00 0.00 C ATOM 116 O HIS A 27 3.304 9.216 -9.977 1.00 0.00 O ATOM 117 CB HIS A 27 4.370 12.131 -10.352 1.00 0.00 C ATOM 118 CG HIS A 27 5.624 11.504 -10.885 1.00 0.00 C ATOM 119 ND1 HIS A 27 6.490 10.758 -10.104 1.00 0.00 N ATOM 120 CD2 HIS A 27 6.159 11.515 -12.143 1.00 0.00 C ATOM 121 CE1 HIS A 27 7.498 10.353 -10.899 1.00 0.00 C ATOM 122 NE2 HIS A 27 7.345 10.787 -12.155 1.00 0.00 N ATOM 0 H HIS A 27 2.279 13.325 -10.649 1.00 0.00 H new ATOM 0 HA HIS A 27 3.395 10.988 -11.890 1.00 0.00 H new ATOM 0 HB2 HIS A 27 4.340 13.187 -10.619 1.00 0.00 H new ATOM 0 HB3 HIS A 27 4.361 12.077 -9.263 1.00 0.00 H new ATOM 0 HD2 HIS A 27 5.727 12.013 -12.998 1.00 0.00 H new ATOM 0 HE1 HIS A 27 8.329 9.751 -10.563 1.00 0.00 H new ATOM 0 HE2 HIS A 27 7.963 10.621 -12.949 1.00 0.00 H new ATOM 130 N ASP A 28 1.594 10.432 -9.316 1.00 0.00 N ATOM 131 CA ASP A 28 1.091 9.329 -8.446 1.00 0.00 C ATOM 132 C ASP A 28 0.229 8.394 -9.294 1.00 0.00 C ATOM 133 O ASP A 28 0.498 7.214 -9.396 1.00 0.00 O ATOM 134 CB ASP A 28 0.253 9.900 -7.304 1.00 0.00 C ATOM 135 CG ASP A 28 1.093 10.892 -6.498 1.00 0.00 C ATOM 136 OD1 ASP A 28 2.298 10.901 -6.680 1.00 0.00 O ATOM 137 OD2 ASP A 28 0.516 11.625 -5.712 1.00 0.00 O ATOM 0 H ASP A 28 1.032 11.283 -9.308 1.00 0.00 H new ATOM 0 HA ASP A 28 1.934 8.784 -8.022 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.632 10.396 -7.702 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -0.097 9.095 -6.658 1.00 0.00 H new ATOM 142 N ARG A 29 -0.802 8.911 -9.925 1.00 0.00 N ATOM 143 CA ARG A 29 -1.658 8.032 -10.784 1.00 0.00 C ATOM 144 C ARG A 29 -0.737 7.236 -11.706 1.00 0.00 C ATOM 145 O ARG A 29 -1.072 6.164 -12.155 1.00 0.00 O ATOM 146 CB ARG A 29 -2.690 8.846 -11.627 1.00 0.00 C ATOM 147 CG ARG A 29 -2.509 10.351 -11.429 1.00 0.00 C ATOM 148 CD ARG A 29 -3.220 10.804 -10.144 1.00 0.00 C ATOM 149 NE ARG A 29 -2.939 9.841 -9.040 1.00 0.00 N ATOM 150 CZ ARG A 29 -3.219 10.158 -7.807 1.00 0.00 C ATOM 151 NH1 ARG A 29 -3.767 11.309 -7.538 1.00 0.00 N ATOM 152 NH2 ARG A 29 -2.960 9.318 -6.843 1.00 0.00 N ATOM 0 H ARG A 29 -1.084 9.890 -9.883 1.00 0.00 H new ATOM 0 HA ARG A 29 -2.238 7.370 -10.141 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.575 8.600 -12.683 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.702 8.559 -11.342 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.448 10.593 -11.371 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -2.913 10.890 -12.286 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.881 11.801 -9.863 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.294 10.869 -10.316 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.527 8.932 -9.250 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -3.977 11.963 -8.292 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -3.986 11.557 -6.573 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -2.538 8.413 -7.054 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -3.179 9.566 -5.878 1.00 0.00 H new ATOM 166 N LYS A 30 0.439 7.739 -11.974 1.00 0.00 N ATOM 167 CA LYS A 30 1.374 6.976 -12.844 1.00 0.00 C ATOM 168 C LYS A 30 1.457 5.557 -12.288 1.00 0.00 C ATOM 169 O LYS A 30 1.374 4.580 -13.006 1.00 0.00 O ATOM 170 CB LYS A 30 2.759 7.629 -12.820 1.00 0.00 C ATOM 171 CG LYS A 30 3.626 7.024 -13.931 1.00 0.00 C ATOM 172 CD LYS A 30 4.955 7.790 -14.045 1.00 0.00 C ATOM 173 CE LYS A 30 5.940 7.301 -12.977 1.00 0.00 C ATOM 174 NZ LYS A 30 6.149 5.833 -13.125 1.00 0.00 N ATOM 0 H LYS A 30 0.788 8.634 -11.632 1.00 0.00 H new ATOM 0 HA LYS A 30 1.021 6.966 -13.875 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.668 8.706 -12.960 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.230 7.473 -11.850 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.821 5.973 -13.718 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.093 7.064 -14.881 1.00 0.00 H new ATOM 0 HD2 LYS A 30 5.382 7.646 -15.037 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.779 8.859 -13.926 1.00 0.00 H new ATOM 0 HE2 LYS A 30 6.890 7.826 -13.077 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.555 7.525 -11.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.153 5.608 -12.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.569 5.328 -12.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 5.871 5.538 -14.083 1.00 0.00 H new ATOM 188 N GLU A 31 1.578 5.450 -10.991 1.00 0.00 N ATOM 189 CA GLU A 31 1.622 4.114 -10.341 1.00 0.00 C ATOM 190 C GLU A 31 0.189 3.665 -10.055 1.00 0.00 C ATOM 191 O GLU A 31 -0.219 2.577 -10.410 1.00 0.00 O ATOM 192 CB GLU A 31 2.391 4.212 -9.023 1.00 0.00 C ATOM 193 CG GLU A 31 3.687 4.991 -9.245 1.00 0.00 C ATOM 194 CD GLU A 31 4.527 4.291 -10.313 1.00 0.00 C ATOM 195 OE1 GLU A 31 4.851 3.131 -10.118 1.00 0.00 O ATOM 196 OE2 GLU A 31 4.833 4.927 -11.309 1.00 0.00 O ATOM 0 H GLU A 31 1.649 6.241 -10.351 1.00 0.00 H new ATOM 0 HA GLU A 31 2.119 3.398 -10.996 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.780 4.709 -8.269 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.614 3.214 -8.645 1.00 0.00 H new ATOM 0 HG2 GLU A 31 3.462 6.011 -9.556 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.248 5.058 -8.313 1.00 0.00 H new ATOM 203 N PHE A 32 -0.580 4.503 -9.410 1.00 0.00 N ATOM 204 CA PHE A 32 -1.985 4.131 -9.097 1.00 0.00 C ATOM 205 C PHE A 32 -2.690 3.754 -10.390 1.00 0.00 C ATOM 206 O PHE A 32 -3.217 2.670 -10.539 1.00 0.00 O ATOM 207 CB PHE A 32 -2.695 5.321 -8.400 1.00 0.00 C ATOM 208 CG PHE A 32 -3.341 4.871 -7.102 1.00 0.00 C ATOM 209 CD1 PHE A 32 -4.519 4.116 -7.134 1.00 0.00 C ATOM 210 CD2 PHE A 32 -2.760 5.210 -5.873 1.00 0.00 C ATOM 211 CE1 PHE A 32 -5.117 3.699 -5.938 1.00 0.00 C ATOM 212 CE2 PHE A 32 -3.358 4.792 -4.677 1.00 0.00 C ATOM 213 CZ PHE A 32 -4.536 4.037 -4.710 1.00 0.00 C ATOM 0 H PHE A 32 -0.293 5.427 -9.088 1.00 0.00 H new ATOM 0 HA PHE A 32 -2.011 3.278 -8.419 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -1.975 6.114 -8.198 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -3.452 5.739 -9.064 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -4.967 3.855 -8.081 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -1.851 5.793 -5.848 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -6.026 3.117 -5.963 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.910 5.052 -3.729 1.00 0.00 H new ATOM 0 HZ PHE A 32 -4.997 3.715 -3.788 1.00 0.00 H new ATOM 223 N ALA A 33 -2.687 4.639 -11.326 1.00 0.00 N ATOM 224 CA ALA A 33 -3.345 4.335 -12.627 1.00 0.00 C ATOM 225 C ALA A 33 -2.731 3.059 -13.205 1.00 0.00 C ATOM 226 O ALA A 33 -3.357 2.354 -13.967 1.00 0.00 O ATOM 227 CB ALA A 33 -3.149 5.499 -13.606 1.00 0.00 C ATOM 0 H ALA A 33 -2.260 5.563 -11.257 1.00 0.00 H new ATOM 0 HA ALA A 33 -4.414 4.193 -12.470 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -3.635 5.264 -14.553 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.589 6.404 -13.188 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.084 5.657 -13.774 1.00 0.00 H new ATOM 233 N LYS A 34 -1.511 2.743 -12.844 1.00 0.00 N ATOM 234 CA LYS A 34 -0.889 1.495 -13.378 1.00 0.00 C ATOM 235 C LYS A 34 -1.351 0.319 -12.519 1.00 0.00 C ATOM 236 O LYS A 34 -1.984 -0.601 -12.998 1.00 0.00 O ATOM 237 CB LYS A 34 0.639 1.612 -13.328 1.00 0.00 C ATOM 238 CG LYS A 34 1.292 0.266 -13.681 1.00 0.00 C ATOM 239 CD LYS A 34 0.715 -0.273 -14.997 1.00 0.00 C ATOM 240 CE LYS A 34 1.671 -1.310 -15.595 1.00 0.00 C ATOM 241 NZ LYS A 34 1.879 -2.417 -14.620 1.00 0.00 N ATOM 0 H LYS A 34 -0.927 3.289 -12.211 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.191 1.340 -14.414 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.974 2.380 -14.025 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.954 1.926 -12.333 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.371 0.390 -13.772 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.120 -0.452 -12.879 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -0.261 -0.724 -14.819 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.564 0.545 -15.701 1.00 0.00 H new ATOM 0 HE2 LYS A 34 1.262 -1.703 -16.525 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.625 -0.842 -15.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.310 -3.230 -15.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.509 -2.094 -13.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 0.964 -2.701 -14.216 1.00 0.00 H new ATOM 255 N PHE A 35 -1.059 0.349 -11.246 1.00 0.00 N ATOM 256 CA PHE A 35 -1.507 -0.762 -10.359 1.00 0.00 C ATOM 257 C PHE A 35 -3.014 -0.926 -10.520 1.00 0.00 C ATOM 258 O PHE A 35 -3.601 -1.887 -10.071 1.00 0.00 O ATOM 259 CB PHE A 35 -1.171 -0.430 -8.900 1.00 0.00 C ATOM 260 CG PHE A 35 0.300 -0.677 -8.647 1.00 0.00 C ATOM 261 CD1 PHE A 35 0.774 -1.988 -8.515 1.00 0.00 C ATOM 262 CD2 PHE A 35 1.187 0.401 -8.543 1.00 0.00 C ATOM 263 CE1 PHE A 35 2.134 -2.221 -8.282 1.00 0.00 C ATOM 264 CE2 PHE A 35 2.548 0.168 -8.309 1.00 0.00 C ATOM 265 CZ PHE A 35 3.022 -1.143 -8.179 1.00 0.00 C ATOM 0 H PHE A 35 -0.532 1.091 -10.785 1.00 0.00 H new ATOM 0 HA PHE A 35 -0.999 -1.687 -10.631 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -1.417 0.611 -8.688 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -1.773 -1.043 -8.229 1.00 0.00 H new ATOM 0 HD1 PHE A 35 0.090 -2.820 -8.593 1.00 0.00 H new ATOM 0 HD2 PHE A 35 0.822 1.412 -8.643 1.00 0.00 H new ATOM 0 HE1 PHE A 35 2.499 -3.233 -8.182 1.00 0.00 H new ATOM 0 HE2 PHE A 35 3.232 1.000 -8.229 1.00 0.00 H new ATOM 0 HZ PHE A 35 4.072 -1.323 -7.999 1.00 0.00 H new ATOM 275 N GLU A 36 -3.639 0.015 -11.161 1.00 0.00 N ATOM 276 CA GLU A 36 -5.111 -0.060 -11.369 1.00 0.00 C ATOM 277 C GLU A 36 -5.505 -1.467 -11.811 1.00 0.00 C ATOM 278 O GLU A 36 -6.486 -2.024 -11.375 1.00 0.00 O ATOM 279 CB GLU A 36 -5.524 1.007 -12.401 1.00 0.00 C ATOM 280 CG GLU A 36 -5.326 0.490 -13.816 1.00 0.00 C ATOM 281 CD GLU A 36 -5.694 1.584 -14.821 1.00 0.00 C ATOM 282 OE1 GLU A 36 -6.321 2.548 -14.415 1.00 0.00 O ATOM 283 OE2 GLU A 36 -5.341 1.440 -15.980 1.00 0.00 O ATOM 0 H GLU A 36 -3.191 0.842 -11.555 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.637 0.143 -10.437 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.569 1.280 -12.251 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -4.934 1.911 -12.253 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.290 0.184 -13.960 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -5.945 -0.392 -13.981 1.00 0.00 H new ATOM 290 N GLU A 37 -4.742 -2.027 -12.677 1.00 0.00 N ATOM 291 CA GLU A 37 -5.048 -3.397 -13.180 1.00 0.00 C ATOM 292 C GLU A 37 -5.156 -4.385 -12.012 1.00 0.00 C ATOM 293 O GLU A 37 -5.854 -5.376 -12.094 1.00 0.00 O ATOM 294 CB GLU A 37 -3.933 -3.851 -14.124 1.00 0.00 C ATOM 295 CG GLU A 37 -4.380 -5.108 -14.873 1.00 0.00 C ATOM 296 CD GLU A 37 -5.459 -4.738 -15.892 1.00 0.00 C ATOM 297 OE1 GLU A 37 -5.102 -4.397 -17.008 1.00 0.00 O ATOM 298 OE2 GLU A 37 -6.625 -4.800 -15.539 1.00 0.00 O ATOM 0 H GLU A 37 -3.904 -1.600 -13.072 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.000 -3.373 -13.711 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -3.696 -3.057 -14.833 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -3.024 -4.055 -13.559 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -3.529 -5.565 -15.378 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -4.767 -5.845 -14.169 1.00 0.00 H new ATOM 305 N GLU A 38 -4.458 -4.142 -10.935 1.00 0.00 N ATOM 306 CA GLU A 38 -4.500 -5.071 -9.786 1.00 0.00 C ATOM 307 C GLU A 38 -5.702 -4.769 -8.879 1.00 0.00 C ATOM 308 O GLU A 38 -6.536 -5.617 -8.628 1.00 0.00 O ATOM 309 CB GLU A 38 -3.210 -4.867 -8.997 1.00 0.00 C ATOM 310 CG GLU A 38 -2.047 -5.556 -9.716 1.00 0.00 C ATOM 311 CD GLU A 38 -0.757 -5.349 -8.920 1.00 0.00 C ATOM 312 OE1 GLU A 38 -0.786 -5.557 -7.719 1.00 0.00 O ATOM 313 OE2 GLU A 38 0.239 -4.987 -9.526 1.00 0.00 O ATOM 0 H GLU A 38 -3.856 -3.328 -10.808 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.598 -6.097 -10.140 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.003 -3.802 -8.890 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.320 -5.273 -7.992 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.253 -6.621 -9.824 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.935 -5.149 -10.721 1.00 0.00 H new ATOM 320 N ARG A 39 -5.768 -3.571 -8.365 1.00 0.00 N ATOM 321 CA ARG A 39 -6.877 -3.176 -7.436 1.00 0.00 C ATOM 322 C ARG A 39 -7.892 -2.291 -8.135 1.00 0.00 C ATOM 323 O ARG A 39 -8.675 -1.677 -7.467 1.00 0.00 O ATOM 324 CB ARG A 39 -6.318 -2.462 -6.203 1.00 0.00 C ATOM 325 CG ARG A 39 -5.074 -1.649 -6.591 1.00 0.00 C ATOM 326 CD ARG A 39 -4.995 -0.408 -5.707 1.00 0.00 C ATOM 327 NE ARG A 39 -5.552 -0.718 -4.347 1.00 0.00 N ATOM 328 CZ ARG A 39 -5.269 0.067 -3.343 1.00 0.00 C ATOM 329 NH1 ARG A 39 -4.494 1.102 -3.522 1.00 0.00 N ATOM 330 NH2 ARG A 39 -5.757 -0.183 -2.160 1.00 0.00 N ATOM 0 H ARG A 39 -5.089 -2.832 -8.551 1.00 0.00 H new ATOM 0 HA ARG A 39 -7.382 -4.088 -7.118 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -7.076 -1.804 -5.778 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.062 -3.191 -5.434 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.176 -2.255 -6.470 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -5.125 -1.361 -7.641 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -3.960 -0.077 -5.620 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -5.554 0.410 -6.161 1.00 0.00 H new ATOM 0 HE ARG A 39 -6.147 -1.535 -4.209 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -4.110 1.297 -4.446 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -4.273 1.715 -2.738 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -6.361 -0.993 -2.018 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.535 0.431 -1.377 1.00 0.00 H new ATOM 344 N ALA A 40 -7.869 -2.199 -9.443 1.00 0.00 N ATOM 345 CA ALA A 40 -8.856 -1.341 -10.247 1.00 0.00 C ATOM 346 C ALA A 40 -10.220 -1.124 -9.538 1.00 0.00 C ATOM 347 O ALA A 40 -11.196 -0.735 -10.140 1.00 0.00 O ATOM 348 CB ALA A 40 -9.079 -1.995 -11.631 1.00 0.00 C ATOM 0 H ALA A 40 -7.191 -2.693 -10.023 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.410 -0.352 -10.348 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.779 -1.392 -12.210 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.129 -2.057 -12.162 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.486 -2.997 -11.498 1.00 0.00 H new ATOM 354 N ARG A 41 -10.263 -1.386 -8.295 1.00 0.00 N ATOM 355 CA ARG A 41 -11.440 -1.236 -7.452 1.00 0.00 C ATOM 356 C ARG A 41 -11.376 0.135 -6.779 1.00 0.00 C ATOM 357 O ARG A 41 -12.350 0.640 -6.270 1.00 0.00 O ATOM 358 CB ARG A 41 -11.283 -2.318 -6.416 1.00 0.00 C ATOM 359 CG ARG A 41 -11.287 -3.726 -7.102 1.00 0.00 C ATOM 360 CD ARG A 41 -10.134 -4.635 -6.595 1.00 0.00 C ATOM 361 NE ARG A 41 -9.434 -5.277 -7.761 1.00 0.00 N ATOM 362 CZ ARG A 41 -10.104 -5.846 -8.731 1.00 0.00 C ATOM 363 NH1 ARG A 41 -11.403 -5.948 -8.667 1.00 0.00 N ATOM 364 NH2 ARG A 41 -9.465 -6.342 -9.755 1.00 0.00 N ATOM 0 H ARG A 41 -9.451 -1.731 -7.783 1.00 0.00 H new ATOM 0 HA ARG A 41 -12.383 -1.311 -7.994 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -10.352 -2.175 -5.868 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -12.093 -2.257 -5.689 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -12.242 -4.216 -6.914 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -11.200 -3.602 -8.181 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -9.424 -4.046 -6.014 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -10.531 -5.403 -5.931 1.00 0.00 H new ATOM 0 HE ARG A 41 -8.415 -5.269 -7.797 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -11.904 -5.583 -7.857 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -11.918 -6.393 -9.427 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -8.447 -6.285 -9.797 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -9.983 -6.786 -10.513 1.00 0.00 H new ATOM 378 N ALA A 42 -10.210 0.730 -6.774 1.00 0.00 N ATOM 379 CA ALA A 42 -10.033 2.062 -6.115 1.00 0.00 C ATOM 380 C ALA A 42 -10.845 3.128 -6.821 1.00 0.00 C ATOM 381 O ALA A 42 -10.797 4.298 -6.494 1.00 0.00 O ATOM 382 CB ALA A 42 -8.553 2.451 -6.107 1.00 0.00 C ATOM 0 H ALA A 42 -9.366 0.348 -7.201 1.00 0.00 H new ATOM 0 HA ALA A 42 -10.389 1.985 -5.088 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -8.435 3.422 -5.625 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.983 1.702 -5.558 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -8.186 2.507 -7.132 1.00 0.00 H new ATOM 388 N LYS A 43 -11.580 2.717 -7.786 1.00 0.00 N ATOM 389 CA LYS A 43 -12.432 3.651 -8.579 1.00 0.00 C ATOM 390 C LYS A 43 -13.883 3.386 -8.287 1.00 0.00 C ATOM 391 O LYS A 43 -14.728 4.241 -8.466 1.00 0.00 O ATOM 392 CB LYS A 43 -12.167 3.461 -10.074 1.00 0.00 C ATOM 393 CG LYS A 43 -11.813 1.982 -10.416 1.00 0.00 C ATOM 394 CD LYS A 43 -10.395 1.888 -11.013 1.00 0.00 C ATOM 395 CE LYS A 43 -9.356 2.102 -9.906 1.00 0.00 C ATOM 396 NZ LYS A 43 -7.988 2.027 -10.488 1.00 0.00 N ATOM 0 H LYS A 43 -11.639 1.742 -8.080 1.00 0.00 H new ATOM 0 HA LYS A 43 -12.188 4.676 -8.301 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -13.047 3.764 -10.641 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -11.349 4.111 -10.384 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -11.876 1.370 -9.516 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -12.539 1.583 -11.124 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -10.249 0.913 -11.479 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -10.268 2.637 -11.795 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -9.508 3.072 -9.432 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.475 1.346 -9.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -7.332 1.636 -9.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -8.001 1.413 -11.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -7.674 2.980 -10.761 1.00 0.00 H new ATOM 410 N TRP A 44 -14.179 2.224 -7.822 1.00 0.00 N ATOM 411 CA TRP A 44 -15.597 1.912 -7.490 1.00 0.00 C ATOM 412 C TRP A 44 -15.633 1.014 -6.266 1.00 0.00 C ATOM 413 O TRP A 44 -16.590 0.313 -6.008 1.00 0.00 O ATOM 414 CB TRP A 44 -16.292 1.245 -8.669 1.00 0.00 C ATOM 415 CG TRP A 44 -15.360 0.313 -9.300 1.00 0.00 C ATOM 416 CD1 TRP A 44 -14.629 0.634 -10.347 1.00 0.00 C ATOM 417 CD2 TRP A 44 -15.045 -1.065 -8.964 1.00 0.00 C ATOM 418 NE1 TRP A 44 -13.829 -0.430 -10.679 1.00 0.00 N ATOM 419 CE2 TRP A 44 -14.052 -1.510 -9.856 1.00 0.00 C ATOM 420 CE3 TRP A 44 -15.504 -1.956 -7.982 1.00 0.00 C ATOM 421 CZ2 TRP A 44 -13.521 -2.791 -9.778 1.00 0.00 C ATOM 422 CZ3 TRP A 44 -14.977 -3.258 -7.904 1.00 0.00 C ATOM 423 CH2 TRP A 44 -13.982 -3.671 -8.800 1.00 0.00 C ATOM 0 H TRP A 44 -13.512 1.471 -7.654 1.00 0.00 H new ATOM 0 HA TRP A 44 -16.130 2.838 -7.274 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -17.184 0.717 -8.332 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -16.619 1.996 -9.388 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -14.655 1.583 -10.862 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -13.152 -0.422 -11.442 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -16.265 -1.641 -7.283 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -12.755 -3.104 -10.472 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -15.341 -3.942 -7.151 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -13.573 -4.668 -8.733 1.00 0.00 H new ATOM 434 N ASP A 45 -14.570 1.026 -5.521 1.00 0.00 N ATOM 435 CA ASP A 45 -14.492 0.168 -4.307 1.00 0.00 C ATOM 436 C ASP A 45 -13.245 0.488 -3.505 1.00 0.00 C ATOM 437 O ASP A 45 -13.308 1.054 -2.437 1.00 0.00 O ATOM 438 CB ASP A 45 -14.437 -1.301 -4.753 1.00 0.00 C ATOM 439 CG ASP A 45 -15.800 -1.989 -4.507 1.00 0.00 C ATOM 440 OD1 ASP A 45 -16.434 -1.676 -3.512 1.00 0.00 O ATOM 441 OD2 ASP A 45 -16.173 -2.827 -5.306 1.00 0.00 O ATOM 0 H ASP A 45 -13.744 1.597 -5.700 1.00 0.00 H new ATOM 0 HA ASP A 45 -15.365 0.351 -3.681 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -14.179 -1.357 -5.811 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -13.654 -1.825 -4.206 1.00 0.00 H new ATOM 446 N THR A 46 -12.138 0.057 -4.012 1.00 0.00 N ATOM 447 CA THR A 46 -10.831 0.227 -3.322 1.00 0.00 C ATOM 448 C THR A 46 -10.724 -0.886 -2.332 1.00 0.00 C ATOM 449 O THR A 46 -9.670 -1.416 -2.085 1.00 0.00 O ATOM 450 CB THR A 46 -10.715 1.624 -2.655 1.00 0.00 C ATOM 451 OG1 THR A 46 -9.448 2.178 -2.981 1.00 0.00 O ATOM 452 CG2 THR A 46 -10.842 1.569 -1.118 1.00 0.00 C ATOM 0 H THR A 46 -12.077 -0.425 -4.909 1.00 0.00 H new ATOM 0 HA THR A 46 -10.005 0.181 -4.032 1.00 0.00 H new ATOM 0 HB THR A 46 -11.536 2.234 -3.032 1.00 0.00 H new ATOM 0 HG1 THR A 46 -9.361 3.062 -2.567 1.00 0.00 H new ATOM 0 HG21 THR A 46 -10.753 2.576 -0.709 1.00 0.00 H new ATOM 0 HG22 THR A 46 -11.812 1.152 -0.848 1.00 0.00 H new ATOM 0 HG23 THR A 46 -10.051 0.940 -0.710 1.00 0.00 H new ATOM 460 N ALA A 47 -11.832 -1.241 -1.778 1.00 0.00 N ATOM 461 CA ALA A 47 -11.863 -2.352 -0.793 1.00 0.00 C ATOM 462 C ALA A 47 -12.513 -3.590 -1.388 1.00 0.00 C ATOM 463 O ALA A 47 -12.030 -4.685 -1.190 1.00 0.00 O ATOM 464 CB ALA A 47 -12.623 -1.916 0.459 1.00 0.00 C ATOM 0 H ALA A 47 -12.736 -0.806 -1.964 1.00 0.00 H new ATOM 0 HA ALA A 47 -10.836 -2.600 -0.525 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -12.642 -2.736 1.177 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -12.126 -1.054 0.905 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -13.644 -1.646 0.189 1.00 0.00 H new ATOM 470 N ASN A 48 -13.606 -3.420 -2.094 1.00 0.00 N ATOM 471 CA ASN A 48 -14.347 -4.603 -2.703 1.00 0.00 C ATOM 472 C ASN A 48 -14.000 -5.901 -1.948 1.00 0.00 C ATOM 473 O ASN A 48 -14.062 -5.973 -0.737 1.00 0.00 O ATOM 474 CB ASN A 48 -13.947 -4.793 -4.178 1.00 0.00 C ATOM 475 CG ASN A 48 -12.454 -5.111 -4.264 1.00 0.00 C ATOM 476 OD1 ASN A 48 -12.075 -6.255 -4.417 1.00 0.00 O ATOM 477 ND2 ASN A 48 -11.583 -4.145 -4.176 1.00 0.00 N ATOM 0 H ASN A 48 -14.030 -2.512 -2.283 1.00 0.00 H new ATOM 0 HA ASN A 48 -15.414 -4.396 -2.628 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -14.528 -5.601 -4.622 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -14.171 -3.890 -4.746 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -10.586 -4.351 -4.236 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -11.899 -3.184 -4.048 1.00 0.00 H new ATOM 484 N ASN A 49 -13.585 -6.895 -2.675 1.00 0.00 N ATOM 485 CA ASN A 49 -13.160 -8.179 -2.079 1.00 0.00 C ATOM 486 C ASN A 49 -11.731 -7.970 -1.526 1.00 0.00 C ATOM 487 O ASN A 49 -11.022 -7.116 -2.020 1.00 0.00 O ATOM 488 CB ASN A 49 -13.145 -9.245 -3.195 1.00 0.00 C ATOM 489 CG ASN A 49 -13.990 -10.458 -2.816 1.00 0.00 C ATOM 490 OD1 ASN A 49 -15.063 -10.259 -2.137 1.00 0.00 O flip ATOM 491 ND2 ASN A 49 -13.662 -11.582 -3.143 1.00 0.00 N flip ATOM 0 H ASN A 49 -13.522 -6.865 -3.693 1.00 0.00 H new ATOM 0 HA ASN A 49 -13.830 -8.504 -1.282 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -13.523 -8.811 -4.120 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -12.119 -9.560 -3.386 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -12.808 -11.728 -3.682 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -14.241 -12.379 -2.879 1.00 0.00 H new ATOM 498 N PRO A 50 -11.338 -8.724 -0.524 1.00 0.00 N ATOM 499 CA PRO A 50 -9.994 -8.566 0.058 1.00 0.00 C ATOM 500 C PRO A 50 -8.928 -8.526 -1.025 1.00 0.00 C ATOM 501 O PRO A 50 -7.796 -8.161 -0.788 1.00 0.00 O ATOM 502 CB PRO A 50 -9.830 -9.752 1.030 1.00 0.00 C ATOM 503 CG PRO A 50 -11.196 -10.506 1.069 1.00 0.00 C ATOM 504 CD PRO A 50 -12.158 -9.781 0.094 1.00 0.00 C ATOM 0 HA PRO A 50 -9.878 -7.621 0.589 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -9.033 -10.416 0.696 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -9.556 -9.400 2.024 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -11.067 -11.548 0.776 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -11.604 -10.507 2.080 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -12.552 -10.466 -0.657 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -13.014 -9.360 0.622 1.00 0.00 H new ATOM 512 N LEU A 51 -9.313 -8.834 -2.211 1.00 0.00 N ATOM 513 CA LEU A 51 -8.401 -8.764 -3.378 1.00 0.00 C ATOM 514 C LEU A 51 -7.563 -7.498 -3.288 1.00 0.00 C ATOM 515 O LEU A 51 -6.356 -7.469 -3.410 1.00 0.00 O ATOM 516 CB LEU A 51 -9.336 -8.614 -4.555 1.00 0.00 C ATOM 517 CG LEU A 51 -8.669 -8.961 -5.905 1.00 0.00 C ATOM 518 CD1 LEU A 51 -7.250 -8.388 -6.001 1.00 0.00 C ATOM 519 CD2 LEU A 51 -8.616 -10.482 -6.092 1.00 0.00 C ATOM 0 H LEU A 51 -10.258 -9.145 -2.437 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.736 -9.625 -3.443 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -10.202 -9.259 -4.408 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.704 -7.589 -4.591 1.00 0.00 H new ATOM 0 HG LEU A 51 -9.273 -8.511 -6.693 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.815 -8.653 -6.964 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.289 -7.303 -5.907 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.636 -8.800 -5.200 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.144 -10.715 -7.047 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.038 -10.928 -5.283 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -9.628 -10.886 -6.080 1.00 0.00 H new ATOM 531 N TYR A 52 -8.285 -6.466 -3.080 1.00 0.00 N ATOM 532 CA TYR A 52 -7.751 -5.104 -2.956 1.00 0.00 C ATOM 533 C TYR A 52 -6.641 -5.160 -1.920 1.00 0.00 C ATOM 534 O TYR A 52 -5.616 -4.515 -2.021 1.00 0.00 O ATOM 535 CB TYR A 52 -8.925 -4.218 -2.519 1.00 0.00 C ATOM 536 CG TYR A 52 -8.783 -3.867 -1.046 1.00 0.00 C ATOM 537 CD1 TYR A 52 -8.017 -2.763 -0.653 1.00 0.00 C ATOM 538 CD2 TYR A 52 -9.404 -4.666 -0.077 1.00 0.00 C ATOM 539 CE1 TYR A 52 -7.876 -2.454 0.705 1.00 0.00 C ATOM 540 CE2 TYR A 52 -9.265 -4.356 1.281 1.00 0.00 C ATOM 541 CZ TYR A 52 -8.501 -3.250 1.671 1.00 0.00 C ATOM 542 OH TYR A 52 -8.362 -2.946 3.011 1.00 0.00 O ATOM 0 H TYR A 52 -9.299 -6.512 -2.983 1.00 0.00 H new ATOM 0 HA TYR A 52 -7.335 -4.699 -3.878 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -8.949 -3.308 -3.119 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -9.868 -4.737 -2.690 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -7.534 -2.149 -1.399 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -9.990 -5.522 -0.378 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -7.285 -1.602 1.007 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -9.747 -4.970 2.027 1.00 0.00 H new ATOM 0 HH TYR A 52 -8.860 -3.597 3.548 1.00 0.00 H new ATOM 552 N LYS A 53 -6.864 -5.975 -0.933 1.00 0.00 N ATOM 553 CA LYS A 53 -5.864 -6.160 0.140 1.00 0.00 C ATOM 554 C LYS A 53 -4.854 -7.177 -0.365 1.00 0.00 C ATOM 555 O LYS A 53 -3.737 -7.253 0.104 1.00 0.00 O ATOM 556 CB LYS A 53 -6.573 -6.665 1.425 1.00 0.00 C ATOM 557 CG LYS A 53 -6.228 -5.761 2.625 1.00 0.00 C ATOM 558 CD LYS A 53 -4.745 -5.930 3.012 1.00 0.00 C ATOM 559 CE LYS A 53 -4.580 -7.097 3.996 1.00 0.00 C ATOM 560 NZ LYS A 53 -4.931 -6.638 5.369 1.00 0.00 N ATOM 0 H LYS A 53 -7.713 -6.529 -0.825 1.00 0.00 H new ATOM 0 HA LYS A 53 -5.360 -5.226 0.387 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -7.652 -6.678 1.271 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -6.269 -7.690 1.636 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -6.429 -4.719 2.374 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -6.864 -6.013 3.474 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -4.148 -6.112 2.119 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.373 -5.010 3.463 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.222 -7.928 3.703 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.554 -7.464 3.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -5.216 -7.455 5.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.105 -6.179 5.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -5.717 -5.959 5.318 1.00 0.00 H new ATOM 574 N GLU A 54 -5.242 -7.956 -1.339 1.00 0.00 N ATOM 575 CA GLU A 54 -4.279 -8.969 -1.888 1.00 0.00 C ATOM 576 C GLU A 54 -3.397 -8.305 -2.929 1.00 0.00 C ATOM 577 O GLU A 54 -2.262 -8.682 -3.140 1.00 0.00 O ATOM 578 CB GLU A 54 -5.013 -10.146 -2.532 1.00 0.00 C ATOM 579 CG GLU A 54 -5.963 -10.792 -1.517 1.00 0.00 C ATOM 580 CD GLU A 54 -6.364 -12.186 -2.004 1.00 0.00 C ATOM 581 OE1 GLU A 54 -6.914 -12.278 -3.089 1.00 0.00 O ATOM 582 OE2 GLU A 54 -6.115 -13.138 -1.283 1.00 0.00 O ATOM 0 H GLU A 54 -6.164 -7.941 -1.775 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.678 -9.350 -1.063 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.575 -9.803 -3.401 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -4.293 -10.883 -2.888 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.478 -10.861 -0.543 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.850 -10.172 -1.388 1.00 0.00 H new ATOM 589 N ALA A 55 -3.914 -7.313 -3.577 1.00 0.00 N ATOM 590 CA ALA A 55 -3.113 -6.603 -4.611 1.00 0.00 C ATOM 591 C ALA A 55 -1.835 -6.072 -3.966 1.00 0.00 C ATOM 592 O ALA A 55 -0.784 -6.048 -4.576 1.00 0.00 O ATOM 593 CB ALA A 55 -3.924 -5.439 -5.184 1.00 0.00 C ATOM 0 H ALA A 55 -4.860 -6.957 -3.439 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.861 -7.290 -5.419 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.334 -4.922 -5.941 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.839 -5.821 -5.636 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -4.178 -4.744 -4.384 1.00 0.00 H new ATOM 599 N THR A 56 -1.909 -5.665 -2.728 1.00 0.00 N ATOM 600 CA THR A 56 -0.701 -5.161 -2.039 1.00 0.00 C ATOM 601 C THR A 56 0.133 -6.367 -1.630 1.00 0.00 C ATOM 602 O THR A 56 1.347 -6.337 -1.610 1.00 0.00 O ATOM 603 CB THR A 56 -1.137 -4.356 -0.804 1.00 0.00 C ATOM 604 OG1 THR A 56 -2.464 -4.722 -0.456 1.00 0.00 O ATOM 605 CG2 THR A 56 -1.089 -2.851 -1.096 1.00 0.00 C ATOM 0 H THR A 56 -2.761 -5.662 -2.167 1.00 0.00 H new ATOM 0 HA THR A 56 -0.112 -4.511 -2.686 1.00 0.00 H new ATOM 0 HB THR A 56 -0.456 -4.576 0.018 1.00 0.00 H new ATOM 0 HG1 THR A 56 -2.499 -5.683 -0.267 1.00 0.00 H new ATOM 0 HG21 THR A 56 -1.401 -2.298 -0.210 1.00 0.00 H new ATOM 0 HG22 THR A 56 -0.072 -2.564 -1.363 1.00 0.00 H new ATOM 0 HG23 THR A 56 -1.760 -2.619 -1.923 1.00 0.00 H new ATOM 613 N SER A 57 -0.532 -7.431 -1.326 1.00 0.00 N ATOM 614 CA SER A 57 0.175 -8.675 -0.933 1.00 0.00 C ATOM 615 C SER A 57 0.966 -9.172 -2.139 1.00 0.00 C ATOM 616 O SER A 57 1.928 -9.904 -2.011 1.00 0.00 O ATOM 617 CB SER A 57 -0.843 -9.736 -0.511 1.00 0.00 C ATOM 618 OG SER A 57 -1.398 -10.343 -1.670 1.00 0.00 O ATOM 0 H SER A 57 -1.550 -7.498 -1.332 1.00 0.00 H new ATOM 0 HA SER A 57 0.845 -8.480 -0.095 1.00 0.00 H new ATOM 0 HB2 SER A 57 -0.362 -10.489 0.113 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.632 -9.281 0.088 1.00 0.00 H new ATOM 0 HG SER A 57 -1.560 -9.658 -2.352 1.00 0.00 H new ATOM 624 N THR A 58 0.566 -8.767 -3.314 1.00 0.00 N ATOM 625 CA THR A 58 1.284 -9.191 -4.536 1.00 0.00 C ATOM 626 C THR A 58 2.756 -8.841 -4.361 1.00 0.00 C ATOM 627 O THR A 58 3.624 -9.343 -5.048 1.00 0.00 O ATOM 628 CB THR A 58 0.718 -8.451 -5.749 1.00 0.00 C ATOM 629 OG1 THR A 58 -0.702 -8.512 -5.718 1.00 0.00 O ATOM 630 CG2 THR A 58 1.230 -9.103 -7.033 1.00 0.00 C ATOM 0 H THR A 58 -0.235 -8.156 -3.474 1.00 0.00 H new ATOM 0 HA THR A 58 1.165 -10.263 -4.694 1.00 0.00 H new ATOM 0 HB THR A 58 1.039 -7.410 -5.721 1.00 0.00 H new ATOM 0 HG1 THR A 58 -1.067 -8.037 -6.494 1.00 0.00 H new ATOM 0 HG21 THR A 58 0.825 -8.574 -7.896 1.00 0.00 H new ATOM 0 HG22 THR A 58 2.319 -9.056 -7.056 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.911 -10.145 -7.064 1.00 0.00 H new ATOM 638 N PHE A 59 3.029 -7.968 -3.433 1.00 0.00 N ATOM 639 CA PHE A 59 4.428 -7.542 -3.169 1.00 0.00 C ATOM 640 C PHE A 59 5.060 -8.498 -2.176 1.00 0.00 C ATOM 641 O PHE A 59 6.159 -8.986 -2.345 1.00 0.00 O ATOM 642 CB PHE A 59 4.383 -6.145 -2.556 1.00 0.00 C ATOM 643 CG PHE A 59 5.744 -5.496 -2.645 1.00 0.00 C ATOM 644 CD1 PHE A 59 6.154 -4.892 -3.839 1.00 0.00 C ATOM 645 CD2 PHE A 59 6.595 -5.501 -1.534 1.00 0.00 C ATOM 646 CE1 PHE A 59 7.416 -4.291 -3.921 1.00 0.00 C ATOM 647 CE2 PHE A 59 7.857 -4.900 -1.616 1.00 0.00 C ATOM 648 CZ PHE A 59 8.268 -4.295 -2.810 1.00 0.00 C ATOM 0 H PHE A 59 2.329 -7.525 -2.837 1.00 0.00 H new ATOM 0 HA PHE A 59 5.009 -7.540 -4.091 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.645 -5.534 -3.077 1.00 0.00 H new ATOM 0 HB3 PHE A 59 4.068 -6.206 -1.514 1.00 0.00 H new ATOM 0 HD1 PHE A 59 5.497 -4.889 -4.697 1.00 0.00 H new ATOM 0 HD2 PHE A 59 6.278 -5.968 -0.613 1.00 0.00 H new ATOM 0 HE1 PHE A 59 7.732 -3.824 -4.842 1.00 0.00 H new ATOM 0 HE2 PHE A 59 8.513 -4.903 -0.758 1.00 0.00 H new ATOM 0 HZ PHE A 59 9.242 -3.832 -2.874 1.00 0.00 H new ATOM 658 N THR A 60 4.347 -8.744 -1.140 1.00 0.00 N ATOM 659 CA THR A 60 4.833 -9.656 -0.073 1.00 0.00 C ATOM 660 C THR A 60 4.710 -11.100 -0.564 1.00 0.00 C ATOM 661 O THR A 60 5.385 -11.994 -0.096 1.00 0.00 O ATOM 662 CB THR A 60 3.994 -9.398 1.200 1.00 0.00 C ATOM 663 OG1 THR A 60 4.799 -8.727 2.158 1.00 0.00 O ATOM 664 CG2 THR A 60 3.461 -10.698 1.817 1.00 0.00 C ATOM 0 H THR A 60 3.422 -8.347 -0.972 1.00 0.00 H new ATOM 0 HA THR A 60 5.881 -9.476 0.165 1.00 0.00 H new ATOM 0 HB THR A 60 3.136 -8.789 0.915 1.00 0.00 H new ATOM 0 HG1 THR A 60 4.273 -8.559 2.967 1.00 0.00 H new ATOM 0 HG21 THR A 60 2.878 -10.466 2.708 1.00 0.00 H new ATOM 0 HG22 THR A 60 2.828 -11.211 1.093 1.00 0.00 H new ATOM 0 HG23 THR A 60 4.298 -11.342 2.088 1.00 0.00 H new ATOM 672 N ASN A 61 3.851 -11.317 -1.504 1.00 0.00 N ATOM 673 CA ASN A 61 3.660 -12.691 -2.048 1.00 0.00 C ATOM 674 C ASN A 61 4.983 -13.199 -2.613 1.00 0.00 C ATOM 675 O ASN A 61 5.129 -14.359 -2.945 1.00 0.00 O ATOM 676 CB ASN A 61 2.624 -12.647 -3.166 1.00 0.00 C ATOM 677 CG ASN A 61 2.289 -14.073 -3.612 1.00 0.00 C ATOM 678 OD1 ASN A 61 2.298 -14.988 -2.814 1.00 0.00 O ATOM 679 ND2 ASN A 61 1.992 -14.300 -4.862 1.00 0.00 N ATOM 0 H ASN A 61 3.263 -10.600 -1.928 1.00 0.00 H new ATOM 0 HA ASN A 61 3.320 -13.356 -1.254 1.00 0.00 H new ATOM 0 HB2 ASN A 61 1.722 -12.142 -2.820 1.00 0.00 H new ATOM 0 HB3 ASN A 61 3.008 -12.072 -4.009 1.00 0.00 H new ATOM 0 HD21 ASN A 61 1.767 -15.246 -5.169 1.00 0.00 H new ATOM 0 HD22 ASN A 61 1.985 -13.531 -5.532 1.00 0.00 H new ATOM 686 N ILE A 62 5.944 -12.328 -2.724 1.00 0.00 N ATOM 687 CA ILE A 62 7.283 -12.720 -3.270 1.00 0.00 C ATOM 688 C ILE A 62 8.248 -12.848 -2.103 1.00 0.00 C ATOM 689 O ILE A 62 9.249 -13.535 -2.162 1.00 0.00 O ATOM 690 CB ILE A 62 7.776 -11.633 -4.249 1.00 0.00 C ATOM 691 CG1 ILE A 62 6.569 -10.970 -4.915 1.00 0.00 C ATOM 692 CG2 ILE A 62 8.671 -12.255 -5.326 1.00 0.00 C ATOM 693 CD1 ILE A 62 7.052 -9.948 -5.946 1.00 0.00 C ATOM 0 H ILE A 62 5.863 -11.347 -2.458 1.00 0.00 H new ATOM 0 HA ILE A 62 7.218 -13.667 -3.805 1.00 0.00 H new ATOM 0 HB ILE A 62 8.351 -10.891 -3.696 1.00 0.00 H new ATOM 0 HG12 ILE A 62 5.947 -11.724 -5.398 1.00 0.00 H new ATOM 0 HG13 ILE A 62 5.950 -10.480 -4.164 1.00 0.00 H new ATOM 0 HG21 ILE A 62 9.012 -11.477 -6.010 1.00 0.00 H new ATOM 0 HG22 ILE A 62 9.533 -12.727 -4.855 1.00 0.00 H new ATOM 0 HG23 ILE A 62 8.106 -13.004 -5.881 1.00 0.00 H new ATOM 0 HD11 ILE A 62 6.192 -9.476 -6.421 1.00 0.00 H new ATOM 0 HD12 ILE A 62 7.656 -9.188 -5.450 1.00 0.00 H new ATOM 0 HD13 ILE A 62 7.653 -10.451 -6.703 1.00 0.00 H new ATOM 705 N THR A 63 7.928 -12.187 -1.038 1.00 0.00 N ATOM 706 CA THR A 63 8.777 -12.235 0.186 1.00 0.00 C ATOM 707 C THR A 63 8.144 -13.237 1.146 1.00 0.00 C ATOM 708 O THR A 63 8.749 -13.689 2.098 1.00 0.00 O ATOM 709 CB THR A 63 8.847 -10.827 0.788 1.00 0.00 C ATOM 710 OG1 THR A 63 10.064 -10.213 0.388 1.00 0.00 O ATOM 711 CG2 THR A 63 8.776 -10.845 2.323 1.00 0.00 C ATOM 0 H THR A 63 7.097 -11.601 -0.956 1.00 0.00 H new ATOM 0 HA THR A 63 9.796 -12.554 -0.032 1.00 0.00 H new ATOM 0 HB THR A 63 7.986 -10.267 0.423 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.116 -9.311 0.768 1.00 0.00 H new ATOM 0 HG21 THR A 63 8.829 -9.824 2.702 1.00 0.00 H new ATOM 0 HG22 THR A 63 7.837 -11.300 2.638 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.611 -11.423 2.719 1.00 0.00 H new ATOM 719 N TYR A 64 6.921 -13.579 0.884 1.00 0.00 N ATOM 720 CA TYR A 64 6.208 -14.554 1.756 1.00 0.00 C ATOM 721 C TYR A 64 7.076 -15.798 1.971 1.00 0.00 C ATOM 722 O TYR A 64 6.769 -16.648 2.783 1.00 0.00 O ATOM 723 CB TYR A 64 4.865 -14.951 1.114 1.00 0.00 C ATOM 724 CG TYR A 64 5.068 -16.002 0.019 1.00 0.00 C ATOM 725 CD1 TYR A 64 6.053 -15.841 -0.983 1.00 0.00 C ATOM 726 CD2 TYR A 64 4.259 -17.149 0.011 1.00 0.00 C ATOM 727 CE1 TYR A 64 6.211 -16.822 -1.970 1.00 0.00 C ATOM 728 CE2 TYR A 64 4.426 -18.124 -0.979 1.00 0.00 C ATOM 729 CZ TYR A 64 5.399 -17.960 -1.968 1.00 0.00 C ATOM 730 OH TYR A 64 5.561 -18.924 -2.942 1.00 0.00 O ATOM 0 H TYR A 64 6.376 -13.225 0.098 1.00 0.00 H new ATOM 0 HA TYR A 64 6.014 -14.088 2.722 1.00 0.00 H new ATOM 0 HB2 TYR A 64 4.194 -15.343 1.879 1.00 0.00 H new ATOM 0 HB3 TYR A 64 4.385 -14.068 0.691 1.00 0.00 H new ATOM 0 HD1 TYR A 64 6.682 -14.963 -0.987 1.00 0.00 H new ATOM 0 HD2 TYR A 64 3.504 -17.280 0.772 1.00 0.00 H new ATOM 0 HE1 TYR A 64 6.963 -16.699 -2.735 1.00 0.00 H new ATOM 0 HE2 TYR A 64 3.801 -19.005 -0.978 1.00 0.00 H new ATOM 0 HH TYR A 64 4.918 -19.649 -2.795 1.00 0.00 H new ATOM 740 N ARG A 65 8.149 -15.909 1.250 1.00 0.00 N ATOM 741 CA ARG A 65 9.033 -17.098 1.409 1.00 0.00 C ATOM 742 C ARG A 65 9.622 -17.107 2.822 1.00 0.00 C ATOM 743 O ARG A 65 10.413 -17.962 3.170 1.00 0.00 O ATOM 744 CB ARG A 65 10.169 -17.035 0.381 1.00 0.00 C ATOM 745 CG ARG A 65 9.640 -17.433 -1.006 1.00 0.00 C ATOM 746 CD ARG A 65 9.253 -18.931 -1.032 1.00 0.00 C ATOM 747 NE ARG A 65 9.813 -19.591 -2.259 1.00 0.00 N ATOM 748 CZ ARG A 65 9.701 -19.040 -3.441 1.00 0.00 C ATOM 749 NH1 ARG A 65 9.023 -17.936 -3.594 1.00 0.00 N ATOM 750 NH2 ARG A 65 10.252 -19.613 -4.476 1.00 0.00 N ATOM 0 H ARG A 65 8.457 -15.229 0.555 1.00 0.00 H new ATOM 0 HA ARG A 65 8.452 -18.007 1.250 1.00 0.00 H new ATOM 0 HB2 ARG A 65 10.585 -16.028 0.346 1.00 0.00 H new ATOM 0 HB3 ARG A 65 10.977 -17.704 0.677 1.00 0.00 H new ATOM 0 HG2 ARG A 65 8.773 -16.823 -1.259 1.00 0.00 H new ATOM 0 HG3 ARG A 65 10.400 -17.235 -1.762 1.00 0.00 H new ATOM 0 HD2 ARG A 65 9.632 -19.427 -0.138 1.00 0.00 H new ATOM 0 HD3 ARG A 65 8.168 -19.034 -1.018 1.00 0.00 H new ATOM 0 HE ARG A 65 10.291 -20.488 -2.169 1.00 0.00 H new ATOM 0 HH11 ARG A 65 8.576 -17.496 -2.789 1.00 0.00 H new ATOM 0 HH12 ARG A 65 8.940 -17.512 -4.518 1.00 0.00 H new ATOM 0 HH21 ARG A 65 10.767 -20.486 -4.362 1.00 0.00 H new ATOM 0 HH22 ARG A 65 10.168 -19.188 -5.399 1.00 0.00 H new ATOM 764 N GLY A 66 9.245 -16.162 3.640 1.00 0.00 N ATOM 765 CA GLY A 66 9.785 -16.117 5.028 1.00 0.00 C ATOM 766 C GLY A 66 11.177 -15.483 5.015 1.00 0.00 C ATOM 767 O GLY A 66 11.971 -15.687 5.912 1.00 0.00 O ATOM 0 H GLY A 66 8.586 -15.419 3.407 1.00 0.00 H new ATOM 0 HA2 GLY A 66 9.118 -15.542 5.670 1.00 0.00 H new ATOM 0 HA3 GLY A 66 9.836 -17.124 5.442 1.00 0.00 H new ATOM 771 N THR A 67 11.478 -14.714 4.005 1.00 0.00 N ATOM 772 CA THR A 67 12.820 -14.067 3.936 1.00 0.00 C ATOM 773 C THR A 67 13.907 -15.130 4.103 1.00 0.00 C ATOM 774 O THR A 67 14.680 -15.015 5.040 1.00 0.00 O ATOM 775 CB THR A 67 12.942 -13.028 5.054 1.00 0.00 C ATOM 776 OG1 THR A 67 11.755 -12.249 5.105 1.00 0.00 O ATOM 777 CG2 THR A 67 14.140 -12.120 4.780 1.00 0.00 C ATOM 778 OXT THR A 67 13.948 -16.041 3.292 1.00 0.00 O ATOM 0 H THR A 67 10.854 -14.505 3.225 1.00 0.00 H new ATOM 0 HA THR A 67 12.939 -13.576 2.970 1.00 0.00 H new ATOM 0 HB THR A 67 13.085 -13.535 6.008 1.00 0.00 H new ATOM 0 HG1 THR A 67 11.830 -11.584 5.821 1.00 0.00 H new ATOM 0 HG21 THR A 67 14.226 -11.381 5.576 1.00 0.00 H new ATOM 0 HG22 THR A 67 15.050 -12.719 4.742 1.00 0.00 H new ATOM 0 HG23 THR A 67 14.000 -11.611 3.826 1.00 0.00 H new TER 786 THR A 67