USER MOD reduce.3.24.130724 H: found=0, std=0, add=394, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 394 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -165:sc= -3.63 (180deg=-4.67!) USER MOD Single : A 1 MET N :NH3+ 164:sc= -0.75 (180deg=-0.992) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0.00554 USER MOD Single : A 12 SER OG : rot -127:sc= 0.433 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot -14:sc= 1.1 USER MOD Single : A 19 MET CE :methyl -171:sc= -6.27! (180deg=-6.58!) USER MOD Single : A 20 ASN : amide:sc= -0.339 X(o=-0.34,f=-0.34) USER MOD Single : A 22 ASN : amide:sc= -0.557 K(o=-0.56,f=-3.2!) USER MOD Single : A 31 ASN : amide:sc= -1.52 X(o=-1.5,f=-1.9!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -54:sc= 0.535 USER MOD Single : A 40 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0.00055 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.121 -6.173 -1.305 1.00 0.00 N ATOM 2 CA MET A 1 10.247 -5.778 -2.191 1.00 0.00 C ATOM 3 C MET A 1 10.862 -7.001 -2.875 1.00 0.00 C ATOM 4 O MET A 1 10.211 -8.037 -3.005 1.00 0.00 O ATOM 5 CB MET A 1 11.287 -5.036 -1.346 1.00 0.00 C ATOM 6 CG MET A 1 11.959 -3.889 -2.083 1.00 0.00 C ATOM 7 SD MET A 1 11.270 -2.279 -1.646 1.00 0.00 S ATOM 8 CE MET A 1 9.516 -2.643 -1.656 1.00 0.00 C ATOM 0 H1 MET A 1 8.899 -5.391 -0.656 1.00 0.00 H new ATOM 0 H2 MET A 1 8.285 -6.392 -1.883 1.00 0.00 H new ATOM 0 H3 MET A 1 9.391 -7.013 -0.755 1.00 0.00 H new ATOM 0 HA MET A 1 9.882 -5.123 -2.982 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.805 -4.648 -0.449 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.049 -5.743 -1.018 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.026 -3.895 -1.860 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.857 -4.044 -3.157 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.951 -1.711 -1.670 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.271 -3.229 -2.542 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.257 -3.211 -0.762 1.00 0.00 H new ATOM 20 N ARG A 2 12.118 -6.879 -3.320 1.00 0.00 N ATOM 21 CA ARG A 2 12.815 -7.976 -3.998 1.00 0.00 C ATOM 22 C ARG A 2 12.656 -9.300 -3.246 1.00 0.00 C ATOM 23 O ARG A 2 12.547 -10.362 -3.858 1.00 0.00 O ATOM 24 CB ARG A 2 14.301 -7.640 -4.146 1.00 0.00 C ATOM 25 CG ARG A 2 14.908 -8.107 -5.459 1.00 0.00 C ATOM 26 CD ARG A 2 16.395 -7.792 -5.534 1.00 0.00 C ATOM 27 NE ARG A 2 16.767 -7.201 -6.818 1.00 0.00 N ATOM 28 CZ ARG A 2 17.960 -6.663 -7.075 1.00 0.00 C ATOM 29 NH1 ARG A 2 18.907 -6.636 -6.142 1.00 0.00 N ATOM 30 NH2 ARG A 2 18.209 -6.149 -8.271 1.00 0.00 N ATOM 0 H ARG A 2 12.673 -6.029 -3.222 1.00 0.00 H new ATOM 0 HA ARG A 2 12.365 -8.094 -4.984 1.00 0.00 H new ATOM 0 HB2 ARG A 2 14.430 -6.561 -4.060 1.00 0.00 H new ATOM 0 HB3 ARG A 2 14.850 -8.093 -3.321 1.00 0.00 H new ATOM 0 HG2 ARG A 2 14.757 -9.181 -5.568 1.00 0.00 H new ATOM 0 HG3 ARG A 2 14.392 -7.627 -6.290 1.00 0.00 H new ATOM 0 HD2 ARG A 2 16.661 -7.107 -4.729 1.00 0.00 H new ATOM 0 HD3 ARG A 2 16.967 -8.706 -5.377 1.00 0.00 H new ATOM 0 HE ARG A 2 16.071 -7.200 -7.564 1.00 0.00 H new ATOM 0 HH11 ARG A 2 18.725 -7.029 -5.219 1.00 0.00 H new ATOM 0 HH12 ARG A 2 19.816 -6.222 -6.350 1.00 0.00 H new ATOM 0 HH21 ARG A 2 17.489 -6.165 -8.993 1.00 0.00 H new ATOM 0 HH22 ARG A 2 19.121 -5.737 -8.469 1.00 0.00 H new ATOM 44 N LYS A 3 12.640 -9.223 -1.920 1.00 0.00 N ATOM 45 CA LYS A 3 12.492 -10.413 -1.086 1.00 0.00 C ATOM 46 C LYS A 3 12.438 -10.041 0.395 1.00 0.00 C ATOM 47 O LYS A 3 13.418 -10.201 1.122 1.00 0.00 O ATOM 48 CB LYS A 3 13.645 -11.387 -1.336 1.00 0.00 C ATOM 49 CG LYS A 3 13.326 -12.820 -0.944 1.00 0.00 C ATOM 50 CD LYS A 3 14.339 -13.794 -1.522 1.00 0.00 C ATOM 51 CE LYS A 3 14.035 -15.226 -1.108 1.00 0.00 C ATOM 52 NZ LYS A 3 14.425 -16.205 -2.162 1.00 0.00 N ATOM 0 H LYS A 3 12.727 -8.351 -1.399 1.00 0.00 H new ATOM 0 HA LYS A 3 11.553 -10.896 -1.355 1.00 0.00 H new ATOM 0 HB2 LYS A 3 13.911 -11.359 -2.393 1.00 0.00 H new ATOM 0 HB3 LYS A 3 14.520 -11.053 -0.778 1.00 0.00 H new ATOM 0 HG2 LYS A 3 13.315 -12.907 0.142 1.00 0.00 H new ATOM 0 HG3 LYS A 3 12.328 -13.081 -1.295 1.00 0.00 H new ATOM 0 HD2 LYS A 3 14.337 -13.720 -2.610 1.00 0.00 H new ATOM 0 HD3 LYS A 3 15.340 -13.522 -1.186 1.00 0.00 H new ATOM 0 HE2 LYS A 3 14.565 -15.457 -0.184 1.00 0.00 H new ATOM 0 HE3 LYS A 3 12.970 -15.325 -0.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 14.201 -17.169 -1.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 13.900 -16.001 -3.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 15.446 -16.129 -2.345 1.00 0.00 H new ATOM 66 N LEU A 4 11.284 -9.548 0.837 1.00 0.00 N ATOM 67 CA LEU A 4 11.105 -9.160 2.232 1.00 0.00 C ATOM 68 C LEU A 4 9.926 -9.899 2.856 1.00 0.00 C ATOM 69 O LEU A 4 9.007 -10.325 2.156 1.00 0.00 O ATOM 70 CB LEU A 4 10.884 -7.646 2.351 1.00 0.00 C ATOM 71 CG LEU A 4 11.665 -6.769 1.361 1.00 0.00 C ATOM 72 CD1 LEU A 4 11.582 -5.309 1.783 1.00 0.00 C ATOM 73 CD2 LEU A 4 13.121 -7.217 1.260 1.00 0.00 C ATOM 0 H LEU A 4 10.461 -9.408 0.251 1.00 0.00 H new ATOM 0 HA LEU A 4 12.014 -9.430 2.769 1.00 0.00 H new ATOM 0 HB2 LEU A 4 9.821 -7.444 2.224 1.00 0.00 H new ATOM 0 HB3 LEU A 4 11.148 -7.339 3.363 1.00 0.00 H new ATOM 0 HG LEU A 4 11.215 -6.878 0.374 1.00 0.00 H new ATOM 0 HD11 LEU A 4 12.138 -4.694 1.076 1.00 0.00 H new ATOM 0 HD12 LEU A 4 10.539 -4.993 1.797 1.00 0.00 H new ATOM 0 HD13 LEU A 4 12.009 -5.193 2.779 1.00 0.00 H new ATOM 0 HD21 LEU A 4 13.650 -6.579 0.552 1.00 0.00 H new ATOM 0 HD22 LEU A 4 13.593 -7.142 2.239 1.00 0.00 H new ATOM 0 HD23 LEU A 4 13.161 -8.251 0.916 1.00 0.00 H new ATOM 85 N SER A 5 9.956 -10.039 4.178 1.00 0.00 N ATOM 86 CA SER A 5 8.885 -10.719 4.900 1.00 0.00 C ATOM 87 C SER A 5 7.560 -10.003 4.688 1.00 0.00 C ATOM 88 O SER A 5 7.527 -8.785 4.509 1.00 0.00 O ATOM 89 CB SER A 5 9.209 -10.783 6.393 1.00 0.00 C ATOM 90 OG SER A 5 10.573 -11.104 6.608 1.00 0.00 O ATOM 0 H SER A 5 10.710 -9.691 4.771 1.00 0.00 H new ATOM 0 HA SER A 5 8.801 -11.734 4.512 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.980 -9.824 6.859 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.577 -11.530 6.873 1.00 0.00 H new ATOM 0 HG SER A 5 10.754 -11.137 7.571 1.00 0.00 H new ATOM 96 N ASP A 6 6.465 -10.757 4.717 1.00 0.00 N ATOM 97 CA ASP A 6 5.139 -10.166 4.535 1.00 0.00 C ATOM 98 C ASP A 6 4.876 -9.142 5.629 1.00 0.00 C ATOM 99 O ASP A 6 4.187 -8.148 5.411 1.00 0.00 O ATOM 100 CB ASP A 6 4.019 -11.220 4.542 1.00 0.00 C ATOM 101 CG ASP A 6 4.442 -12.566 3.975 1.00 0.00 C ATOM 102 OD1 ASP A 6 5.412 -13.152 4.499 1.00 0.00 O ATOM 103 OD2 ASP A 6 3.804 -13.030 3.007 1.00 0.00 O ATOM 0 H ASP A 6 6.466 -11.767 4.863 1.00 0.00 H new ATOM 0 HA ASP A 6 5.133 -9.686 3.556 1.00 0.00 H new ATOM 0 HB2 ASP A 6 3.671 -11.360 5.565 1.00 0.00 H new ATOM 0 HB3 ASP A 6 3.174 -10.843 3.966 1.00 0.00 H new ATOM 108 N GLU A 7 5.441 -9.387 6.805 1.00 0.00 N ATOM 109 CA GLU A 7 5.271 -8.478 7.926 1.00 0.00 C ATOM 110 C GLU A 7 5.894 -7.129 7.609 1.00 0.00 C ATOM 111 O GLU A 7 5.325 -6.089 7.925 1.00 0.00 O ATOM 112 CB GLU A 7 5.884 -9.073 9.200 1.00 0.00 C ATOM 113 CG GLU A 7 4.855 -9.405 10.269 1.00 0.00 C ATOM 114 CD GLU A 7 4.035 -10.634 9.929 1.00 0.00 C ATOM 115 OE1 GLU A 7 3.925 -10.962 8.728 1.00 0.00 O ATOM 116 OE2 GLU A 7 3.504 -11.271 10.863 1.00 0.00 O ATOM 0 H GLU A 7 6.018 -10.204 7.004 1.00 0.00 H new ATOM 0 HA GLU A 7 4.204 -8.334 8.098 1.00 0.00 H new ATOM 0 HB2 GLU A 7 6.433 -9.979 8.941 1.00 0.00 H new ATOM 0 HB3 GLU A 7 6.607 -8.368 9.609 1.00 0.00 H new ATOM 0 HG2 GLU A 7 5.363 -9.564 11.220 1.00 0.00 H new ATOM 0 HG3 GLU A 7 4.188 -8.553 10.402 1.00 0.00 H new ATOM 123 N LEU A 8 7.055 -7.158 6.966 1.00 0.00 N ATOM 124 CA LEU A 8 7.746 -5.931 6.587 1.00 0.00 C ATOM 125 C LEU A 8 7.134 -5.342 5.325 1.00 0.00 C ATOM 126 O LEU A 8 6.947 -4.130 5.220 1.00 0.00 O ATOM 127 CB LEU A 8 9.235 -6.193 6.379 1.00 0.00 C ATOM 128 CG LEU A 8 10.074 -6.118 7.652 1.00 0.00 C ATOM 129 CD1 LEU A 8 10.016 -7.435 8.406 1.00 0.00 C ATOM 130 CD2 LEU A 8 11.509 -5.747 7.320 1.00 0.00 C ATOM 0 H LEU A 8 7.537 -8.015 6.696 1.00 0.00 H new ATOM 0 HA LEU A 8 7.632 -5.212 7.398 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.359 -7.181 5.935 1.00 0.00 H new ATOM 0 HB3 LEU A 8 9.622 -5.470 5.661 1.00 0.00 H new ATOM 0 HG LEU A 8 9.661 -5.341 8.295 1.00 0.00 H new ATOM 0 HD11 LEU A 8 10.620 -7.363 9.311 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.983 -7.655 8.676 1.00 0.00 H new ATOM 0 HD13 LEU A 8 10.404 -8.234 7.774 1.00 0.00 H new ATOM 0 HD21 LEU A 8 12.094 -5.698 8.238 1.00 0.00 H new ATOM 0 HD22 LEU A 8 11.936 -6.501 6.658 1.00 0.00 H new ATOM 0 HD23 LEU A 8 11.529 -4.776 6.825 1.00 0.00 H new ATOM 142 N LEU A 9 6.804 -6.212 4.375 1.00 0.00 N ATOM 143 CA LEU A 9 6.190 -5.779 3.127 1.00 0.00 C ATOM 144 C LEU A 9 4.854 -5.112 3.417 1.00 0.00 C ATOM 145 O LEU A 9 4.527 -4.067 2.852 1.00 0.00 O ATOM 146 CB LEU A 9 6.003 -6.973 2.185 1.00 0.00 C ATOM 147 CG LEU A 9 5.227 -6.681 0.896 1.00 0.00 C ATOM 148 CD1 LEU A 9 6.149 -6.097 -0.162 1.00 0.00 C ATOM 149 CD2 LEU A 9 4.558 -7.948 0.382 1.00 0.00 C ATOM 0 H LEU A 9 6.952 -7.219 4.447 1.00 0.00 H new ATOM 0 HA LEU A 9 6.845 -5.058 2.638 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.986 -7.359 1.917 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.487 -7.765 2.728 1.00 0.00 H new ATOM 0 HG LEU A 9 4.453 -5.947 1.118 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.580 -5.896 -1.070 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.583 -5.168 0.207 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.946 -6.807 -0.383 1.00 0.00 H new ATOM 0 HD21 LEU A 9 4.011 -7.725 -0.534 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.317 -8.703 0.176 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.866 -8.325 1.135 1.00 0.00 H new ATOM 161 N ILE A 10 4.096 -5.714 4.321 1.00 0.00 N ATOM 162 CA ILE A 10 2.809 -5.173 4.707 1.00 0.00 C ATOM 163 C ILE A 10 3.008 -3.943 5.583 1.00 0.00 C ATOM 164 O ILE A 10 2.249 -2.978 5.499 1.00 0.00 O ATOM 165 CB ILE A 10 1.953 -6.229 5.428 1.00 0.00 C ATOM 166 CG1 ILE A 10 1.717 -7.403 4.486 1.00 0.00 C ATOM 167 CG2 ILE A 10 0.624 -5.645 5.892 1.00 0.00 C ATOM 168 CD1 ILE A 10 1.524 -8.715 5.197 1.00 0.00 C ATOM 0 H ILE A 10 4.353 -6.578 4.799 1.00 0.00 H new ATOM 0 HA ILE A 10 2.272 -4.880 3.805 1.00 0.00 H new ATOM 0 HB ILE A 10 2.487 -6.568 6.316 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.838 -7.197 3.875 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.565 -7.489 3.806 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.044 -6.417 6.397 1.00 0.00 H new ATOM 0 HG22 ILE A 10 0.809 -4.821 6.581 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.067 -5.278 5.030 1.00 0.00 H new ATOM 0 HD11 ILE A 10 1.361 -9.505 4.464 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.412 -8.944 5.786 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.659 -8.648 5.856 1.00 0.00 H new ATOM 180 N GLU A 11 4.054 -3.974 6.402 1.00 0.00 N ATOM 181 CA GLU A 11 4.373 -2.845 7.267 1.00 0.00 C ATOM 182 C GLU A 11 4.664 -1.609 6.423 1.00 0.00 C ATOM 183 O GLU A 11 4.431 -0.485 6.859 1.00 0.00 O ATOM 184 CB GLU A 11 5.573 -3.172 8.165 1.00 0.00 C ATOM 185 CG GLU A 11 5.199 -3.436 9.617 1.00 0.00 C ATOM 186 CD GLU A 11 4.098 -4.470 9.762 1.00 0.00 C ATOM 187 OE1 GLU A 11 2.933 -4.144 9.450 1.00 0.00 O ATOM 188 OE2 GLU A 11 4.401 -5.604 10.187 1.00 0.00 O ATOM 0 H GLU A 11 4.693 -4.765 6.485 1.00 0.00 H new ATOM 0 HA GLU A 11 3.514 -2.643 7.907 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.085 -4.048 7.766 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.280 -2.344 8.126 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.082 -3.774 10.159 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.878 -2.503 10.080 1.00 0.00 H new ATOM 195 N SER A 12 5.158 -1.827 5.204 1.00 0.00 N ATOM 196 CA SER A 12 5.456 -0.723 4.302 1.00 0.00 C ATOM 197 C SER A 12 4.158 -0.156 3.750 1.00 0.00 C ATOM 198 O SER A 12 3.948 1.057 3.744 1.00 0.00 O ATOM 199 CB SER A 12 6.358 -1.190 3.158 1.00 0.00 C ATOM 200 OG SER A 12 7.245 -0.162 2.758 1.00 0.00 O ATOM 0 H SER A 12 5.358 -2.752 4.824 1.00 0.00 H new ATOM 0 HA SER A 12 5.984 0.054 4.855 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.928 -2.064 3.473 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.746 -1.497 2.310 1.00 0.00 H new ATOM 0 HG SER A 12 7.174 -0.027 1.790 1.00 0.00 H new ATOM 206 N TYR A 13 3.277 -1.050 3.310 1.00 0.00 N ATOM 207 CA TYR A 13 1.983 -0.646 2.779 1.00 0.00 C ATOM 208 C TYR A 13 1.172 0.044 3.865 1.00 0.00 C ATOM 209 O TYR A 13 0.467 1.020 3.611 1.00 0.00 O ATOM 210 CB TYR A 13 1.216 -1.862 2.261 1.00 0.00 C ATOM 211 CG TYR A 13 -0.104 -1.514 1.611 1.00 0.00 C ATOM 212 CD1 TYR A 13 -0.146 -0.862 0.385 1.00 0.00 C ATOM 213 CD2 TYR A 13 -1.307 -1.836 2.224 1.00 0.00 C ATOM 214 CE1 TYR A 13 -1.352 -0.541 -0.211 1.00 0.00 C ATOM 215 CE2 TYR A 13 -2.517 -1.519 1.635 1.00 0.00 C ATOM 216 CZ TYR A 13 -2.533 -0.872 0.418 1.00 0.00 C ATOM 217 OH TYR A 13 -3.735 -0.554 -0.172 1.00 0.00 O ATOM 0 H TYR A 13 3.437 -2.057 3.311 1.00 0.00 H new ATOM 0 HA TYR A 13 2.146 0.046 1.953 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.838 -2.393 1.540 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.034 -2.546 3.090 1.00 0.00 H new ATOM 0 HD1 TYR A 13 0.778 -0.602 -0.110 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.298 -2.343 3.178 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -1.368 -0.034 -1.164 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -3.444 -1.777 2.125 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.471 -0.857 0.400 1.00 0.00 H new ATOM 227 N PHE A 14 1.289 -0.474 5.082 1.00 0.00 N ATOM 228 CA PHE A 14 0.580 0.082 6.226 1.00 0.00 C ATOM 229 C PHE A 14 1.211 1.405 6.645 1.00 0.00 C ATOM 230 O PHE A 14 0.523 2.414 6.806 1.00 0.00 O ATOM 231 CB PHE A 14 0.605 -0.916 7.391 1.00 0.00 C ATOM 232 CG PHE A 14 -0.283 -2.132 7.217 1.00 0.00 C ATOM 233 CD1 PHE A 14 -0.781 -2.503 5.970 1.00 0.00 C ATOM 234 CD2 PHE A 14 -0.608 -2.915 8.314 1.00 0.00 C ATOM 235 CE1 PHE A 14 -1.579 -3.622 5.829 1.00 0.00 C ATOM 236 CE2 PHE A 14 -1.405 -4.038 8.175 1.00 0.00 C ATOM 237 CZ PHE A 14 -1.891 -4.391 6.931 1.00 0.00 C ATOM 0 H PHE A 14 1.871 -1.282 5.301 1.00 0.00 H new ATOM 0 HA PHE A 14 -0.457 0.268 5.945 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.631 -1.253 7.538 1.00 0.00 H new ATOM 0 HB3 PHE A 14 0.307 -0.395 8.301 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.540 -1.908 5.102 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -0.234 -2.645 9.291 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -1.959 -3.895 4.855 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.647 -4.639 9.039 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.514 -5.267 6.821 1.00 0.00 H new ATOM 247 N LYS A 15 2.529 1.392 6.805 1.00 0.00 N ATOM 248 CA LYS A 15 3.269 2.586 7.190 1.00 0.00 C ATOM 249 C LYS A 15 3.106 3.676 6.140 1.00 0.00 C ATOM 250 O LYS A 15 2.915 4.847 6.469 1.00 0.00 O ATOM 251 CB LYS A 15 4.753 2.257 7.359 1.00 0.00 C ATOM 252 CG LYS A 15 5.077 1.550 8.667 1.00 0.00 C ATOM 253 CD LYS A 15 4.881 2.469 9.865 1.00 0.00 C ATOM 254 CE LYS A 15 3.622 2.117 10.643 1.00 0.00 C ATOM 255 NZ LYS A 15 3.382 3.062 11.768 1.00 0.00 N ATOM 0 H LYS A 15 3.109 0.563 6.673 1.00 0.00 H new ATOM 0 HA LYS A 15 2.870 2.945 8.139 1.00 0.00 H new ATOM 0 HB2 LYS A 15 5.074 1.629 6.528 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.330 3.180 7.303 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.440 0.672 8.774 1.00 0.00 H new ATOM 0 HG3 LYS A 15 6.108 1.196 8.644 1.00 0.00 H new ATOM 0 HD2 LYS A 15 5.747 2.399 10.523 1.00 0.00 H new ATOM 0 HD3 LYS A 15 4.822 3.503 9.525 1.00 0.00 H new ATOM 0 HE2 LYS A 15 2.764 2.128 9.970 1.00 0.00 H new ATOM 0 HE3 LYS A 15 3.708 1.103 11.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 2.515 2.788 12.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 4.189 3.033 12.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 3.274 4.027 11.394 1.00 0.00 H new ATOM 269 N ALA A 16 3.192 3.279 4.876 1.00 0.00 N ATOM 270 CA ALA A 16 3.068 4.214 3.768 1.00 0.00 C ATOM 271 C ALA A 16 1.700 4.882 3.742 1.00 0.00 C ATOM 272 O ALA A 16 1.591 6.072 3.456 1.00 0.00 O ATOM 273 CB ALA A 16 3.340 3.506 2.450 1.00 0.00 C ATOM 0 H ALA A 16 3.348 2.311 4.594 1.00 0.00 H new ATOM 0 HA ALA A 16 3.811 4.998 3.911 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.244 4.216 1.629 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.350 3.096 2.459 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.621 2.698 2.316 1.00 0.00 H new ATOM 279 N THR A 17 0.655 4.121 4.042 1.00 0.00 N ATOM 280 CA THR A 17 -0.694 4.670 4.049 1.00 0.00 C ATOM 281 C THR A 17 -0.842 5.706 5.158 1.00 0.00 C ATOM 282 O THR A 17 -1.591 6.674 5.023 1.00 0.00 O ATOM 283 CB THR A 17 -1.731 3.559 4.223 1.00 0.00 C ATOM 284 OG1 THR A 17 -1.504 2.842 5.423 1.00 0.00 O ATOM 285 CG2 THR A 17 -1.739 2.562 3.084 1.00 0.00 C ATOM 0 H THR A 17 0.714 3.131 4.281 1.00 0.00 H new ATOM 0 HA THR A 17 -0.868 5.156 3.089 1.00 0.00 H new ATOM 0 HB THR A 17 -2.695 4.067 4.245 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.611 3.054 5.767 1.00 0.00 H new ATOM 0 HG21 THR A 17 -2.497 1.802 3.271 1.00 0.00 H new ATOM 0 HG22 THR A 17 -1.965 3.078 2.151 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.760 2.088 3.009 1.00 0.00 H new ATOM 293 N GLU A 18 -0.123 5.492 6.256 1.00 0.00 N ATOM 294 CA GLU A 18 -0.173 6.403 7.395 1.00 0.00 C ATOM 295 C GLU A 18 0.604 7.689 7.119 1.00 0.00 C ATOM 296 O GLU A 18 0.112 8.789 7.373 1.00 0.00 O ATOM 297 CB GLU A 18 0.378 5.713 8.648 1.00 0.00 C ATOM 298 CG GLU A 18 -0.706 5.201 9.586 1.00 0.00 C ATOM 299 CD GLU A 18 -0.694 3.691 9.728 1.00 0.00 C ATOM 300 OE1 GLU A 18 0.085 3.178 10.557 1.00 0.00 O ATOM 301 OE2 GLU A 18 -1.466 3.022 9.010 1.00 0.00 O ATOM 0 H GLU A 18 0.501 4.695 6.381 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.216 6.672 7.561 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.009 4.878 8.345 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.014 6.414 9.189 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.575 5.655 10.568 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.681 5.519 9.216 1.00 0.00 H new ATOM 308 N MET A 19 1.818 7.541 6.610 1.00 0.00 N ATOM 309 CA MET A 19 2.671 8.685 6.311 1.00 0.00 C ATOM 310 C MET A 19 2.322 9.334 4.969 1.00 0.00 C ATOM 311 O MET A 19 2.777 10.438 4.671 1.00 0.00 O ATOM 312 CB MET A 19 4.134 8.248 6.308 1.00 0.00 C ATOM 313 CG MET A 19 4.505 7.328 5.156 1.00 0.00 C ATOM 314 SD MET A 19 6.273 6.975 5.093 1.00 0.00 S ATOM 315 CE MET A 19 6.262 5.187 5.162 1.00 0.00 C ATOM 0 H MET A 19 2.237 6.637 6.394 1.00 0.00 H new ATOM 0 HA MET A 19 2.504 9.431 7.088 1.00 0.00 H new ATOM 0 HB2 MET A 19 4.767 9.135 6.269 1.00 0.00 H new ATOM 0 HB3 MET A 19 4.353 7.742 7.248 1.00 0.00 H new ATOM 0 HG2 MET A 19 3.954 6.392 5.251 1.00 0.00 H new ATOM 0 HG3 MET A 19 4.196 7.785 4.216 1.00 0.00 H new ATOM 0 HE1 MET A 19 7.281 4.822 5.293 1.00 0.00 H new ATOM 0 HE2 MET A 19 5.648 4.859 6.001 1.00 0.00 H new ATOM 0 HE3 MET A 19 5.851 4.790 4.234 1.00 0.00 H new ATOM 325 N ASN A 20 1.530 8.637 4.154 1.00 0.00 N ATOM 326 CA ASN A 20 1.141 9.135 2.835 1.00 0.00 C ATOM 327 C ASN A 20 2.311 9.024 1.865 1.00 0.00 C ATOM 328 O ASN A 20 2.530 9.898 1.027 1.00 0.00 O ATOM 329 CB ASN A 20 0.649 10.587 2.905 1.00 0.00 C ATOM 330 CG ASN A 20 -0.284 10.828 4.076 1.00 0.00 C ATOM 331 OD1 ASN A 20 0.034 11.588 4.991 1.00 0.00 O ATOM 332 ND2 ASN A 20 -1.443 10.182 4.051 1.00 0.00 N ATOM 0 H ASN A 20 1.144 7.722 4.386 1.00 0.00 H new ATOM 0 HA ASN A 20 0.317 8.519 2.476 1.00 0.00 H new ATOM 0 HB2 ASN A 20 1.507 11.255 2.985 1.00 0.00 H new ATOM 0 HB3 ASN A 20 0.135 10.838 1.977 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -2.112 10.306 4.811 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -1.664 9.562 3.272 1.00 0.00 H new ATOM 339 N LEU A 21 3.061 7.931 1.993 1.00 0.00 N ATOM 340 CA LEU A 21 4.219 7.674 1.141 1.00 0.00 C ATOM 341 C LEU A 21 3.818 7.698 -0.333 1.00 0.00 C ATOM 342 O LEU A 21 2.648 7.509 -0.665 1.00 0.00 O ATOM 343 CB LEU A 21 4.827 6.313 1.502 1.00 0.00 C ATOM 344 CG LEU A 21 6.320 6.150 1.206 1.00 0.00 C ATOM 345 CD1 LEU A 21 6.913 5.048 2.074 1.00 0.00 C ATOM 346 CD2 LEU A 21 6.552 5.856 -0.274 1.00 0.00 C ATOM 0 H LEU A 21 2.884 7.203 2.686 1.00 0.00 H new ATOM 0 HA LEU A 21 4.960 8.456 1.305 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.665 6.135 2.565 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.282 5.538 0.962 1.00 0.00 H new ATOM 0 HG LEU A 21 6.822 7.087 1.445 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.975 4.943 1.853 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.785 5.304 3.126 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.404 4.107 1.865 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.620 5.744 -0.460 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.038 4.934 -0.547 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.164 6.679 -0.874 1.00 0.00 H new ATOM 358 N ASN A 22 4.791 7.944 -1.215 1.00 0.00 N ATOM 359 CA ASN A 22 4.544 8.005 -2.661 1.00 0.00 C ATOM 360 C ASN A 22 3.623 6.876 -3.135 1.00 0.00 C ATOM 361 O ASN A 22 3.825 5.711 -2.792 1.00 0.00 O ATOM 362 CB ASN A 22 5.868 7.946 -3.425 1.00 0.00 C ATOM 363 CG ASN A 22 5.770 8.578 -4.800 1.00 0.00 C ATOM 364 OD1 ASN A 22 5.987 7.917 -5.816 1.00 0.00 O ATOM 365 ND2 ASN A 22 5.442 9.864 -4.838 1.00 0.00 N ATOM 0 H ASN A 22 5.763 8.105 -0.952 1.00 0.00 H new ATOM 0 HA ASN A 22 4.043 8.951 -2.865 1.00 0.00 H new ATOM 0 HB2 ASN A 22 6.640 8.455 -2.848 1.00 0.00 H new ATOM 0 HB3 ASN A 22 6.180 6.906 -3.527 1.00 0.00 H new ATOM 0 HD21 ASN A 22 5.361 10.343 -5.735 1.00 0.00 H new ATOM 0 HD22 ASN A 22 5.271 10.373 -3.971 1.00 0.00 H new ATOM 372 N ARG A 23 2.609 7.240 -3.914 1.00 0.00 N ATOM 373 CA ARG A 23 1.643 6.273 -4.431 1.00 0.00 C ATOM 374 C ARG A 23 2.327 5.132 -5.175 1.00 0.00 C ATOM 375 O ARG A 23 1.796 4.023 -5.246 1.00 0.00 O ATOM 376 CB ARG A 23 0.641 6.967 -5.355 1.00 0.00 C ATOM 377 CG ARG A 23 -0.695 6.243 -5.456 1.00 0.00 C ATOM 378 CD ARG A 23 -0.947 5.713 -6.861 1.00 0.00 C ATOM 379 NE ARG A 23 -1.478 6.746 -7.748 1.00 0.00 N ATOM 380 CZ ARG A 23 -2.679 7.308 -7.605 1.00 0.00 C ATOM 381 NH1 ARG A 23 -3.485 6.942 -6.613 1.00 0.00 N ATOM 382 NH2 ARG A 23 -3.076 8.243 -8.458 1.00 0.00 N ATOM 0 H ARG A 23 2.433 8.202 -4.203 1.00 0.00 H new ATOM 0 HA ARG A 23 1.117 5.848 -3.576 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.469 7.981 -4.995 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.076 7.052 -6.351 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.714 5.416 -4.747 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.499 6.923 -5.175 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.016 5.324 -7.274 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.648 4.880 -6.814 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.894 7.056 -8.524 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -3.187 6.225 -5.952 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.401 7.378 -6.513 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.463 8.531 -9.221 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -3.994 8.674 -8.351 1.00 0.00 H new ATOM 396 N ASP A 24 3.501 5.402 -5.730 1.00 0.00 N ATOM 397 CA ASP A 24 4.236 4.383 -6.465 1.00 0.00 C ATOM 398 C ASP A 24 4.714 3.280 -5.530 1.00 0.00 C ATOM 399 O ASP A 24 4.711 2.103 -5.891 1.00 0.00 O ATOM 400 CB ASP A 24 5.423 5.002 -7.203 1.00 0.00 C ATOM 401 CG ASP A 24 5.001 5.740 -8.458 1.00 0.00 C ATOM 402 OD1 ASP A 24 4.487 5.084 -9.389 1.00 0.00 O ATOM 403 OD2 ASP A 24 5.187 6.974 -8.512 1.00 0.00 O ATOM 0 H ASP A 24 3.962 6.311 -5.686 1.00 0.00 H new ATOM 0 HA ASP A 24 3.560 3.944 -7.199 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.943 5.691 -6.537 1.00 0.00 H new ATOM 0 HB3 ASP A 24 6.132 4.218 -7.467 1.00 0.00 H new ATOM 408 N PHE A 25 5.106 3.662 -4.320 1.00 0.00 N ATOM 409 CA PHE A 25 5.563 2.698 -3.333 1.00 0.00 C ATOM 410 C PHE A 25 4.362 1.964 -2.761 1.00 0.00 C ATOM 411 O PHE A 25 4.395 0.753 -2.553 1.00 0.00 O ATOM 412 CB PHE A 25 6.345 3.395 -2.218 1.00 0.00 C ATOM 413 CG PHE A 25 7.332 2.497 -1.527 1.00 0.00 C ATOM 414 CD1 PHE A 25 8.179 1.685 -2.262 1.00 0.00 C ATOM 415 CD2 PHE A 25 7.412 2.467 -0.144 1.00 0.00 C ATOM 416 CE1 PHE A 25 9.090 0.859 -1.632 1.00 0.00 C ATOM 417 CE2 PHE A 25 8.321 1.643 0.493 1.00 0.00 C ATOM 418 CZ PHE A 25 9.161 0.837 -0.252 1.00 0.00 C ATOM 0 H PHE A 25 5.116 4.631 -4.002 1.00 0.00 H new ATOM 0 HA PHE A 25 6.231 1.983 -3.813 1.00 0.00 H new ATOM 0 HB2 PHE A 25 6.875 4.250 -2.637 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.643 3.785 -1.481 1.00 0.00 H new ATOM 0 HD1 PHE A 25 8.127 1.697 -3.341 1.00 0.00 H new ATOM 0 HD2 PHE A 25 6.757 3.094 0.443 1.00 0.00 H new ATOM 0 HE1 PHE A 25 9.746 0.231 -2.217 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.375 1.629 1.572 1.00 0.00 H new ATOM 0 HZ PHE A 25 9.871 0.191 0.243 1.00 0.00 H new ATOM 428 N ILE A 26 3.288 2.713 -2.535 1.00 0.00 N ATOM 429 CA ILE A 26 2.055 2.145 -2.016 1.00 0.00 C ATOM 430 C ILE A 26 1.493 1.133 -3.010 1.00 0.00 C ATOM 431 O ILE A 26 1.130 0.019 -2.638 1.00 0.00 O ATOM 432 CB ILE A 26 1.010 3.253 -1.736 1.00 0.00 C ATOM 433 CG1 ILE A 26 1.536 4.203 -0.658 1.00 0.00 C ATOM 434 CG2 ILE A 26 -0.332 2.655 -1.316 1.00 0.00 C ATOM 435 CD1 ILE A 26 0.581 5.330 -0.321 1.00 0.00 C ATOM 0 H ILE A 26 3.249 3.718 -2.705 1.00 0.00 H new ATOM 0 HA ILE A 26 2.276 1.641 -1.075 1.00 0.00 H new ATOM 0 HB ILE A 26 0.848 3.813 -2.657 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.744 3.632 0.247 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.483 4.628 -0.991 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.045 3.458 -1.126 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.710 2.015 -2.113 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.200 2.066 -0.409 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.022 5.962 0.450 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.392 5.926 -1.214 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.358 4.914 0.044 1.00 0.00 H new ATOM 447 N GLU A 27 1.439 1.527 -4.277 1.00 0.00 N ATOM 448 CA GLU A 27 0.935 0.647 -5.319 1.00 0.00 C ATOM 449 C GLU A 27 1.903 -0.505 -5.549 1.00 0.00 C ATOM 450 O GLU A 27 1.497 -1.627 -5.854 1.00 0.00 O ATOM 451 CB GLU A 27 0.724 1.427 -6.619 1.00 0.00 C ATOM 452 CG GLU A 27 -0.517 1.008 -7.389 1.00 0.00 C ATOM 453 CD GLU A 27 -1.788 1.607 -6.819 1.00 0.00 C ATOM 454 OE1 GLU A 27 -1.698 2.650 -6.138 1.00 0.00 O ATOM 455 OE2 GLU A 27 -2.872 1.034 -7.054 1.00 0.00 O ATOM 0 H GLU A 27 1.737 2.446 -4.604 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.024 0.241 -4.997 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.655 2.490 -6.387 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.598 1.296 -7.257 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.413 1.311 -8.431 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -0.596 -0.079 -7.379 1.00 0.00 H new ATOM 462 N LEU A 28 3.189 -0.217 -5.389 1.00 0.00 N ATOM 463 CA LEU A 28 4.229 -1.218 -5.564 1.00 0.00 C ATOM 464 C LEU A 28 4.132 -2.273 -4.466 1.00 0.00 C ATOM 465 O LEU A 28 4.170 -3.474 -4.738 1.00 0.00 O ATOM 466 CB LEU A 28 5.605 -0.529 -5.563 1.00 0.00 C ATOM 467 CG LEU A 28 6.817 -1.425 -5.286 1.00 0.00 C ATOM 468 CD1 LEU A 28 8.061 -0.853 -5.947 1.00 0.00 C ATOM 469 CD2 LEU A 28 7.031 -1.570 -3.787 1.00 0.00 C ATOM 0 H LEU A 28 3.536 0.708 -5.137 1.00 0.00 H new ATOM 0 HA LEU A 28 4.098 -1.724 -6.520 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.748 -0.051 -6.532 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.589 0.264 -4.816 1.00 0.00 H new ATOM 0 HG LEU A 28 6.625 -2.412 -5.708 1.00 0.00 H new ATOM 0 HD11 LEU A 28 8.913 -1.501 -5.741 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.905 -0.791 -7.024 1.00 0.00 H new ATOM 0 HD13 LEU A 28 8.258 0.143 -5.551 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.895 -2.209 -3.603 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.206 -0.588 -3.348 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.146 -2.017 -3.335 1.00 0.00 H new ATOM 481 N ILE A 29 3.990 -1.818 -3.228 1.00 0.00 N ATOM 482 CA ILE A 29 3.870 -2.728 -2.101 1.00 0.00 C ATOM 483 C ILE A 29 2.534 -3.458 -2.157 1.00 0.00 C ATOM 484 O ILE A 29 2.429 -4.616 -1.754 1.00 0.00 O ATOM 485 CB ILE A 29 3.997 -1.982 -0.756 1.00 0.00 C ATOM 486 CG1 ILE A 29 5.288 -1.162 -0.721 1.00 0.00 C ATOM 487 CG2 ILE A 29 3.965 -2.965 0.405 1.00 0.00 C ATOM 488 CD1 ILE A 29 5.152 0.147 0.025 1.00 0.00 C ATOM 0 H ILE A 29 3.955 -0.829 -2.981 1.00 0.00 H new ATOM 0 HA ILE A 29 4.685 -3.449 -2.169 1.00 0.00 H new ATOM 0 HB ILE A 29 3.150 -1.303 -0.658 1.00 0.00 H new ATOM 0 HG12 ILE A 29 6.074 -1.756 -0.255 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.607 -0.957 -1.743 1.00 0.00 H new ATOM 0 HG21 ILE A 29 4.056 -2.421 1.345 1.00 0.00 H new ATOM 0 HG22 ILE A 29 3.023 -3.513 0.392 1.00 0.00 H new ATOM 0 HG23 ILE A 29 4.794 -3.667 0.311 1.00 0.00 H new ATOM 0 HD11 ILE A 29 6.105 0.675 0.009 1.00 0.00 H new ATOM 0 HD12 ILE A 29 4.389 0.761 -0.454 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.864 -0.051 1.057 1.00 0.00 H new ATOM 500 N GLU A 30 1.519 -2.778 -2.678 1.00 0.00 N ATOM 501 CA GLU A 30 0.193 -3.365 -2.807 1.00 0.00 C ATOM 502 C GLU A 30 0.156 -4.329 -3.988 1.00 0.00 C ATOM 503 O GLU A 30 -0.568 -5.324 -3.970 1.00 0.00 O ATOM 504 CB GLU A 30 -0.864 -2.274 -2.986 1.00 0.00 C ATOM 505 CG GLU A 30 -2.252 -2.695 -2.532 1.00 0.00 C ATOM 506 CD GLU A 30 -3.353 -1.887 -3.192 1.00 0.00 C ATOM 507 OE1 GLU A 30 -3.067 -0.763 -3.656 1.00 0.00 O ATOM 508 OE2 GLU A 30 -4.501 -2.377 -3.243 1.00 0.00 O ATOM 0 H GLU A 30 1.590 -1.819 -3.018 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.029 -3.916 -1.893 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.560 -1.389 -2.427 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.905 -1.988 -4.037 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.398 -3.752 -2.756 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.325 -2.585 -1.450 1.00 0.00 H new ATOM 515 N ASN A 31 0.948 -4.023 -5.013 1.00 0.00 N ATOM 516 CA ASN A 31 1.016 -4.859 -6.205 1.00 0.00 C ATOM 517 C ASN A 31 1.716 -6.180 -5.905 1.00 0.00 C ATOM 518 O ASN A 31 1.431 -7.198 -6.536 1.00 0.00 O ATOM 519 CB ASN A 31 1.746 -4.118 -7.327 1.00 0.00 C ATOM 520 CG ASN A 31 0.821 -3.221 -8.128 1.00 0.00 C ATOM 521 OD1 ASN A 31 1.071 -2.025 -8.274 1.00 0.00 O ATOM 522 ND2 ASN A 31 -0.256 -3.798 -8.649 1.00 0.00 N ATOM 0 H ASN A 31 1.551 -3.201 -5.040 1.00 0.00 H new ATOM 0 HA ASN A 31 -0.002 -5.078 -6.527 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.549 -3.517 -6.899 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.211 -4.843 -7.994 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -0.916 -3.246 -9.196 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -0.423 -4.793 -8.502 1.00 0.00 H new ATOM 529 N GLU A 32 2.620 -6.164 -4.930 1.00 0.00 N ATOM 530 CA GLU A 32 3.339 -7.370 -4.546 1.00 0.00 C ATOM 531 C GLU A 32 2.462 -8.216 -3.639 1.00 0.00 C ATOM 532 O GLU A 32 2.329 -9.426 -3.828 1.00 0.00 O ATOM 533 CB GLU A 32 4.648 -7.016 -3.836 1.00 0.00 C ATOM 534 CG GLU A 32 5.655 -8.155 -3.814 1.00 0.00 C ATOM 535 CD GLU A 32 6.614 -8.107 -4.988 1.00 0.00 C ATOM 536 OE1 GLU A 32 6.155 -8.278 -6.136 1.00 0.00 O ATOM 537 OE2 GLU A 32 7.824 -7.900 -4.757 1.00 0.00 O ATOM 0 H GLU A 32 2.870 -5.332 -4.395 1.00 0.00 H new ATOM 0 HA GLU A 32 3.583 -7.937 -5.445 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.098 -6.154 -4.329 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.427 -6.718 -2.811 1.00 0.00 H new ATOM 0 HG2 GLU A 32 6.222 -8.116 -2.884 1.00 0.00 H new ATOM 0 HG3 GLU A 32 5.123 -9.106 -3.823 1.00 0.00 H new ATOM 544 N ILE A 33 1.846 -7.556 -2.668 1.00 0.00 N ATOM 545 CA ILE A 33 0.951 -8.221 -1.738 1.00 0.00 C ATOM 546 C ILE A 33 -0.248 -8.789 -2.494 1.00 0.00 C ATOM 547 O ILE A 33 -0.796 -9.825 -2.120 1.00 0.00 O ATOM 548 CB ILE A 33 0.476 -7.237 -0.644 1.00 0.00 C ATOM 549 CG1 ILE A 33 1.680 -6.678 0.114 1.00 0.00 C ATOM 550 CG2 ILE A 33 -0.492 -7.903 0.330 1.00 0.00 C ATOM 551 CD1 ILE A 33 1.395 -5.369 0.818 1.00 0.00 C ATOM 0 H ILE A 33 1.952 -6.555 -2.505 1.00 0.00 H new ATOM 0 HA ILE A 33 1.489 -9.037 -1.255 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.055 -6.422 -1.136 1.00 0.00 H new ATOM 0 HG12 ILE A 33 2.010 -7.412 0.849 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.504 -6.534 -0.585 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.804 -7.181 1.084 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.367 -8.261 -0.214 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.002 -8.744 0.816 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.293 -5.031 1.335 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.094 -4.620 0.086 1.00 0.00 H new ATOM 0 HD13 ILE A 33 0.592 -5.512 1.541 1.00 0.00 H new ATOM 563 N LYS A 34 -0.644 -8.105 -3.567 1.00 0.00 N ATOM 564 CA LYS A 34 -1.767 -8.548 -4.380 1.00 0.00 C ATOM 565 C LYS A 34 -1.401 -9.817 -5.142 1.00 0.00 C ATOM 566 O LYS A 34 -2.145 -10.798 -5.130 1.00 0.00 O ATOM 567 CB LYS A 34 -2.181 -7.444 -5.357 1.00 0.00 C ATOM 568 CG LYS A 34 -3.333 -6.589 -4.857 1.00 0.00 C ATOM 569 CD LYS A 34 -3.771 -5.576 -5.903 1.00 0.00 C ATOM 570 CE LYS A 34 -4.436 -4.368 -5.264 1.00 0.00 C ATOM 571 NZ LYS A 34 -5.228 -3.583 -6.252 1.00 0.00 N ATOM 0 H LYS A 34 -0.202 -7.244 -3.890 1.00 0.00 H new ATOM 0 HA LYS A 34 -2.608 -8.767 -3.723 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.322 -6.802 -5.552 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -2.462 -7.898 -6.307 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.175 -7.229 -4.594 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.033 -6.068 -3.948 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -2.906 -5.253 -6.482 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.464 -6.048 -6.600 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.088 -4.698 -4.456 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.675 -3.728 -4.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.666 -2.768 -5.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.601 -3.246 -7.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.971 -4.186 -6.659 1.00 0.00 H new ATOM 585 N ARG A 35 -0.242 -9.794 -5.792 1.00 0.00 N ATOM 586 CA ARG A 35 0.232 -10.948 -6.546 1.00 0.00 C ATOM 587 C ARG A 35 0.650 -12.076 -5.603 1.00 0.00 C ATOM 588 O ARG A 35 0.658 -13.246 -5.987 1.00 0.00 O ATOM 589 CB ARG A 35 1.409 -10.552 -7.439 1.00 0.00 C ATOM 590 CG ARG A 35 1.568 -11.437 -8.665 1.00 0.00 C ATOM 591 CD ARG A 35 0.973 -10.788 -9.905 1.00 0.00 C ATOM 592 NE ARG A 35 0.431 -11.776 -10.835 1.00 0.00 N ATOM 593 CZ ARG A 35 -0.418 -11.489 -11.823 1.00 0.00 C ATOM 594 NH1 ARG A 35 -0.830 -10.241 -12.018 1.00 0.00 N ATOM 595 NH2 ARG A 35 -0.858 -12.454 -12.618 1.00 0.00 N ATOM 0 H ARG A 35 0.385 -8.990 -5.812 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.586 -11.304 -7.173 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.278 -9.519 -7.761 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.327 -10.589 -6.853 1.00 0.00 H new ATOM 0 HG2 ARG A 35 2.626 -11.641 -8.832 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.082 -12.397 -8.487 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.183 -10.098 -9.609 1.00 0.00 H new ATOM 0 HD3 ARG A 35 1.739 -10.199 -10.409 1.00 0.00 H new ATOM 0 HE ARG A 35 0.720 -12.747 -10.721 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.497 -9.493 -11.410 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -1.479 -10.031 -12.776 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -0.547 -13.415 -12.474 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -1.507 -12.236 -13.374 1.00 0.00 H new ATOM 609 N ARG A 36 0.995 -11.718 -4.366 1.00 0.00 N ATOM 610 CA ARG A 36 1.413 -12.696 -3.369 1.00 0.00 C ATOM 611 C ARG A 36 0.215 -13.390 -2.707 1.00 0.00 C ATOM 612 O ARG A 36 0.395 -14.197 -1.795 1.00 0.00 O ATOM 613 CB ARG A 36 2.268 -12.011 -2.299 1.00 0.00 C ATOM 614 CG ARG A 36 3.737 -11.904 -2.673 1.00 0.00 C ATOM 615 CD ARG A 36 4.584 -11.474 -1.486 1.00 0.00 C ATOM 616 NE ARG A 36 5.980 -11.885 -1.631 1.00 0.00 N ATOM 617 CZ ARG A 36 6.418 -13.128 -1.424 1.00 0.00 C ATOM 618 NH1 ARG A 36 5.577 -14.090 -1.062 1.00 0.00 N ATOM 619 NH2 ARG A 36 7.705 -13.408 -1.580 1.00 0.00 N ATOM 0 H ARG A 36 0.992 -10.754 -4.033 1.00 0.00 H new ATOM 0 HA ARG A 36 1.997 -13.460 -3.881 1.00 0.00 H new ATOM 0 HB2 ARG A 36 1.874 -11.011 -2.116 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.179 -12.565 -1.364 1.00 0.00 H new ATOM 0 HG2 ARG A 36 4.090 -12.866 -3.044 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.856 -11.186 -3.485 1.00 0.00 H new ATOM 0 HD2 ARG A 36 4.534 -10.390 -1.379 1.00 0.00 H new ATOM 0 HD3 ARG A 36 4.173 -11.904 -0.573 1.00 0.00 H new ATOM 0 HE ARG A 36 6.661 -11.178 -1.907 1.00 0.00 H new ATOM 0 HH11 ARG A 36 4.586 -13.882 -0.940 1.00 0.00 H new ATOM 0 HH12 ARG A 36 5.922 -15.037 -0.906 1.00 0.00 H new ATOM 0 HH21 ARG A 36 8.357 -12.674 -1.857 1.00 0.00 H new ATOM 0 HH22 ARG A 36 8.043 -14.357 -1.422 1.00 0.00 H new ATOM 633 N SER A 37 -1.005 -13.078 -3.156 1.00 0.00 N ATOM 634 CA SER A 37 -2.202 -13.686 -2.583 1.00 0.00 C ATOM 635 C SER A 37 -2.343 -13.298 -1.115 1.00 0.00 C ATOM 636 O SER A 37 -2.821 -14.081 -0.294 1.00 0.00 O ATOM 637 CB SER A 37 -2.153 -15.210 -2.720 1.00 0.00 C ATOM 638 OG SER A 37 -3.384 -15.797 -2.340 1.00 0.00 O ATOM 0 H SER A 37 -1.185 -12.413 -3.908 1.00 0.00 H new ATOM 0 HA SER A 37 -3.068 -13.316 -3.131 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.922 -15.478 -3.751 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.350 -15.608 -2.100 1.00 0.00 H new ATOM 0 HG SER A 37 -3.621 -15.503 -1.436 1.00 0.00 H new ATOM 644 N LEU A 38 -1.917 -12.082 -0.799 1.00 0.00 N ATOM 645 CA LEU A 38 -1.982 -11.570 0.563 1.00 0.00 C ATOM 646 C LEU A 38 -2.795 -10.277 0.611 1.00 0.00 C ATOM 647 O LEU A 38 -2.580 -9.427 1.473 1.00 0.00 O ATOM 648 CB LEU A 38 -0.565 -11.328 1.080 1.00 0.00 C ATOM 649 CG LEU A 38 -0.407 -11.421 2.593 1.00 0.00 C ATOM 650 CD1 LEU A 38 -0.486 -12.871 3.046 1.00 0.00 C ATOM 651 CD2 LEU A 38 0.910 -10.799 3.021 1.00 0.00 C ATOM 0 H LEU A 38 -1.520 -11.428 -1.473 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.477 -12.304 1.199 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.104 -12.052 0.615 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.240 -10.339 0.756 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.220 -10.870 3.065 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.371 -12.921 4.129 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.453 -13.288 2.764 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.309 -13.445 2.570 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.012 -10.871 4.104 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.735 -11.328 2.543 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.931 -9.750 2.724 1.00 0.00 H new ATOM 663 N GLY A 39 -3.739 -10.141 -0.325 1.00 0.00 N ATOM 664 CA GLY A 39 -4.578 -8.957 -0.375 1.00 0.00 C ATOM 665 C GLY A 39 -5.586 -8.896 0.759 1.00 0.00 C ATOM 666 O GLY A 39 -6.265 -7.886 0.933 1.00 0.00 O ATOM 0 H GLY A 39 -3.934 -10.833 -1.048 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.947 -8.069 -0.341 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.108 -8.934 -1.327 1.00 0.00 H new ATOM 670 N HIS A 40 -5.684 -9.963 1.547 1.00 0.00 N ATOM 671 CA HIS A 40 -6.606 -9.985 2.671 1.00 0.00 C ATOM 672 C HIS A 40 -5.955 -9.327 3.881 1.00 0.00 C ATOM 673 O HIS A 40 -6.625 -8.698 4.699 1.00 0.00 O ATOM 674 CB HIS A 40 -7.019 -11.415 3.004 1.00 0.00 C ATOM 675 CG HIS A 40 -8.258 -11.501 3.841 1.00 0.00 C ATOM 676 ND1 HIS A 40 -9.519 -11.668 3.305 1.00 0.00 N ATOM 677 CD2 HIS A 40 -8.427 -11.446 5.183 1.00 0.00 C ATOM 678 CE1 HIS A 40 -10.408 -11.711 4.282 1.00 0.00 C ATOM 679 NE2 HIS A 40 -9.770 -11.578 5.430 1.00 0.00 N ATOM 0 H HIS A 40 -5.139 -10.817 1.427 1.00 0.00 H new ATOM 0 HA HIS A 40 -7.503 -9.429 2.399 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -7.179 -11.964 2.076 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -6.201 -11.908 3.529 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -7.649 -11.321 5.922 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -11.474 -11.834 4.162 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -10.206 -11.574 6.352 1.00 0.00 H new ATOM 688 N ILE A 41 -4.634 -9.469 3.976 1.00 0.00 N ATOM 689 CA ILE A 41 -3.874 -8.880 5.068 1.00 0.00 C ATOM 690 C ILE A 41 -4.028 -7.356 5.050 1.00 0.00 C ATOM 691 O ILE A 41 -4.057 -6.704 6.092 1.00 0.00 O ATOM 692 CB ILE A 41 -2.373 -9.292 4.970 1.00 0.00 C ATOM 693 CG1 ILE A 41 -1.719 -9.266 6.352 1.00 0.00 C ATOM 694 CG2 ILE A 41 -1.592 -8.422 3.982 1.00 0.00 C ATOM 695 CD1 ILE A 41 -2.368 -10.223 7.326 1.00 0.00 C ATOM 0 H ILE A 41 -4.069 -9.990 3.305 1.00 0.00 H new ATOM 0 HA ILE A 41 -4.264 -9.254 6.015 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.344 -10.311 4.585 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.663 -9.516 6.254 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.771 -8.254 6.754 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.553 -8.750 3.951 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.032 -8.515 2.989 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.635 -7.381 4.302 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.862 -10.161 8.289 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.418 -9.959 7.450 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.293 -11.240 6.942 1.00 0.00 H new ATOM 707 N ILE A 42 -4.134 -6.813 3.839 1.00 0.00 N ATOM 708 CA ILE A 42 -4.291 -5.378 3.636 1.00 0.00 C ATOM 709 C ILE A 42 -5.736 -4.955 3.848 1.00 0.00 C ATOM 710 O ILE A 42 -6.652 -5.770 3.740 1.00 0.00 O ATOM 711 CB ILE A 42 -3.850 -4.944 2.217 1.00 0.00 C ATOM 712 CG1 ILE A 42 -4.459 -5.844 1.139 1.00 0.00 C ATOM 713 CG2 ILE A 42 -2.341 -4.941 2.104 1.00 0.00 C ATOM 714 CD1 ILE A 42 -4.112 -5.416 -0.270 1.00 0.00 C ATOM 0 H ILE A 42 -4.113 -7.355 2.975 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.650 -4.889 4.369 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.218 -3.931 2.056 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.116 -6.867 1.294 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -5.543 -5.850 1.252 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -2.052 -4.633 1.099 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.923 -4.245 2.831 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.959 -5.943 2.300 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -4.577 -6.098 -0.982 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.479 -4.404 -0.444 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.030 -5.437 -0.401 1.00 0.00 H new ATOM 726 N SER A 43 -5.940 -3.675 4.138 1.00 0.00 N ATOM 727 CA SER A 43 -7.282 -3.153 4.350 1.00 0.00 C ATOM 728 C SER A 43 -7.970 -2.914 3.009 1.00 0.00 C ATOM 729 O SER A 43 -8.308 -1.783 2.656 1.00 0.00 O ATOM 730 CB SER A 43 -7.230 -1.855 5.161 1.00 0.00 C ATOM 731 OG SER A 43 -8.533 -1.410 5.495 1.00 0.00 O ATOM 0 H SER A 43 -5.196 -2.983 4.231 1.00 0.00 H new ATOM 0 HA SER A 43 -7.857 -3.888 4.913 1.00 0.00 H new ATOM 0 HB2 SER A 43 -6.652 -2.014 6.071 1.00 0.00 H new ATOM 0 HB3 SER A 43 -6.715 -1.084 4.587 1.00 0.00 H new ATOM 0 HG SER A 43 -8.473 -0.581 6.014 1.00 0.00 H new ATOM 737 N VAL A 44 -8.158 -3.993 2.256 1.00 0.00 N ATOM 738 CA VAL A 44 -8.785 -3.920 0.946 1.00 0.00 C ATOM 739 C VAL A 44 -10.016 -4.813 0.873 1.00 0.00 C ATOM 740 O VAL A 44 -10.094 -5.833 1.558 1.00 0.00 O ATOM 741 CB VAL A 44 -7.793 -4.339 -0.155 1.00 0.00 C ATOM 742 CG1 VAL A 44 -8.379 -4.117 -1.536 1.00 0.00 C ATOM 743 CG2 VAL A 44 -6.489 -3.581 -0.004 1.00 0.00 C ATOM 0 H VAL A 44 -7.882 -4.934 2.536 1.00 0.00 H new ATOM 0 HA VAL A 44 -9.089 -2.885 0.789 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.595 -5.405 -0.043 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -7.655 -4.422 -2.292 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -9.288 -4.708 -1.645 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -8.615 -3.061 -1.665 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.797 -3.887 -0.789 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.679 -2.511 -0.085 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.052 -3.799 0.970 1.00 0.00 H new ATOM 753 N SER A 45 -10.973 -4.429 0.038 1.00 0.00 N ATOM 754 CA SER A 45 -12.193 -5.208 -0.123 1.00 0.00 C ATOM 755 C SER A 45 -12.150 -6.010 -1.417 1.00 0.00 C ATOM 756 O SER A 45 -12.588 -5.540 -2.468 1.00 0.00 O ATOM 757 CB SER A 45 -13.416 -4.289 -0.116 1.00 0.00 C ATOM 758 OG SER A 45 -13.890 -4.080 1.203 1.00 0.00 O ATOM 0 H SER A 45 -10.928 -3.587 -0.536 1.00 0.00 H new ATOM 0 HA SER A 45 -12.269 -5.902 0.714 1.00 0.00 H new ATOM 0 HB2 SER A 45 -13.158 -3.332 -0.569 1.00 0.00 H new ATOM 0 HB3 SER A 45 -14.207 -4.727 -0.725 1.00 0.00 H new ATOM 0 HG SER A 45 -14.671 -3.488 1.180 1.00 0.00 H new ATOM 764 N SER A 46 -11.620 -7.225 -1.333 1.00 0.00 N ATOM 765 CA SER A 46 -11.518 -8.100 -2.496 1.00 0.00 C ATOM 766 C SER A 46 -12.444 -9.302 -2.354 1.00 0.00 C ATOM 767 O SER A 46 -13.393 -9.226 -1.545 1.00 0.00 O ATOM 768 CB SER A 46 -10.074 -8.573 -2.679 1.00 0.00 C ATOM 769 OG SER A 46 -9.396 -8.638 -1.436 1.00 0.00 O ATOM 770 OXT SER A 46 -12.215 -10.311 -3.054 1.00 0.00 O ATOM 0 H SER A 46 -11.254 -7.627 -0.470 1.00 0.00 H new ATOM 0 HA SER A 46 -11.821 -7.532 -3.375 1.00 0.00 H new ATOM 0 HB2 SER A 46 -10.067 -9.555 -3.152 1.00 0.00 H new ATOM 0 HB3 SER A 46 -9.548 -7.893 -3.349 1.00 0.00 H new ATOM 0 HG SER A 46 -8.476 -8.944 -1.581 1.00 0.00 H new TER 776 SER A 46