USER MOD reduce.3.24.130724 H: found=0, std=0, add=394, rem=0, adj=12 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 -149:sc= -0.683 (180deg=-2.64) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc=0.000624 USER MOD Single : A 12 SER OG : rot -128:sc= 0.554 USER MOD Single : A 13 TYR OH : rot 77:sc= 0.663 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot -0:sc= 0.927 USER MOD Single : A 19 MET CE :methyl -173:sc= -6.24! (180deg=-6.76!) USER MOD Single : A 20 ASN : amide:sc= -0.243 X(o=-0.24,f=-0.25) USER MOD Single : A 22 ASN : amide:sc= -0.678 K(o=-0.68,f=-13!) USER MOD Single : A 31 ASN : amide:sc= -1.23 X(o=-1.2,f=-0.98!) USER MOD Single : A 34 LYS NZ :NH3+ -121:sc= 0.908 (180deg=-0.19) USER MOD Single : A 37 SER OG : rot -55:sc= 0.0119 USER MOD Single : A 40 HIS :FLIP no HD1:sc= -0.107 F(o=-1.1,f=-0.11) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 25:sc= 1.09 USER MOD Single : A 46 SER OG : rot 45:sc= 0.049 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.707 -3.518 -4.379 1.00 0.00 N ATOM 2 CA MET A 1 10.688 -4.655 -3.422 1.00 0.00 C ATOM 3 C MET A 1 11.645 -5.760 -3.861 1.00 0.00 C ATOM 4 O MET A 1 11.308 -6.589 -4.706 1.00 0.00 O ATOM 5 CB MET A 1 9.254 -5.189 -3.331 1.00 0.00 C ATOM 6 CG MET A 1 8.710 -5.223 -1.912 1.00 0.00 C ATOM 7 SD MET A 1 7.874 -3.693 -1.452 1.00 0.00 S ATOM 8 CE MET A 1 9.274 -2.624 -1.126 1.00 0.00 C ATOM 0 H1 MET A 1 10.048 -2.781 -4.056 1.00 0.00 H new ATOM 0 H2 MET A 1 11.668 -3.124 -4.431 1.00 0.00 H new ATOM 0 H3 MET A 1 10.419 -3.852 -5.321 1.00 0.00 H new ATOM 0 HA MET A 1 11.020 -4.310 -2.443 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.603 -4.568 -3.947 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.222 -6.195 -3.748 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.014 -6.056 -1.814 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.529 -5.408 -1.217 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.008 -1.901 -0.355 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.118 -3.224 -0.785 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.549 -2.096 -2.039 1.00 0.00 H new ATOM 20 N ARG A 2 12.842 -5.764 -3.282 1.00 0.00 N ATOM 21 CA ARG A 2 13.850 -6.765 -3.613 1.00 0.00 C ATOM 22 C ARG A 2 13.622 -8.052 -2.826 1.00 0.00 C ATOM 23 O ARG A 2 13.577 -9.141 -3.398 1.00 0.00 O ATOM 24 CB ARG A 2 15.251 -6.221 -3.327 1.00 0.00 C ATOM 25 CG ARG A 2 15.619 -5.016 -4.179 1.00 0.00 C ATOM 26 CD ARG A 2 16.470 -4.023 -3.404 1.00 0.00 C ATOM 27 NE ARG A 2 15.757 -3.478 -2.248 1.00 0.00 N ATOM 28 CZ ARG A 2 16.340 -2.780 -1.272 1.00 0.00 C ATOM 29 NH1 ARG A 2 17.646 -2.538 -1.300 1.00 0.00 N ATOM 30 NH2 ARG A 2 15.612 -2.324 -0.263 1.00 0.00 N ATOM 0 H ARG A 2 13.137 -5.085 -2.581 1.00 0.00 H new ATOM 0 HA ARG A 2 13.764 -6.992 -4.676 1.00 0.00 H new ATOM 0 HB2 ARG A 2 15.317 -5.946 -2.274 1.00 0.00 H new ATOM 0 HB3 ARG A 2 15.981 -7.012 -3.496 1.00 0.00 H new ATOM 0 HG2 ARG A 2 16.161 -5.348 -5.065 1.00 0.00 H new ATOM 0 HG3 ARG A 2 14.711 -4.524 -4.527 1.00 0.00 H new ATOM 0 HD2 ARG A 2 17.384 -4.513 -3.069 1.00 0.00 H new ATOM 0 HD3 ARG A 2 16.768 -3.208 -4.064 1.00 0.00 H new ATOM 0 HE ARG A 2 14.752 -3.642 -2.185 1.00 0.00 H new ATOM 0 HH11 ARG A 2 18.213 -2.887 -2.073 1.00 0.00 H new ATOM 0 HH12 ARG A 2 18.082 -2.003 -0.549 1.00 0.00 H new ATOM 0 HH21 ARG A 2 14.609 -2.507 -0.234 1.00 0.00 H new ATOM 0 HH22 ARG A 2 16.055 -1.790 0.485 1.00 0.00 H new ATOM 44 N LYS A 3 13.480 -7.919 -1.510 1.00 0.00 N ATOM 45 CA LYS A 3 13.257 -9.071 -0.645 1.00 0.00 C ATOM 46 C LYS A 3 12.836 -8.629 0.752 1.00 0.00 C ATOM 47 O LYS A 3 13.473 -7.768 1.360 1.00 0.00 O ATOM 48 CB LYS A 3 14.524 -9.924 -0.561 1.00 0.00 C ATOM 49 CG LYS A 3 15.776 -9.122 -0.247 1.00 0.00 C ATOM 50 CD LYS A 3 16.819 -9.970 0.462 1.00 0.00 C ATOM 51 CE LYS A 3 18.065 -9.163 0.789 1.00 0.00 C ATOM 52 NZ LYS A 3 19.112 -9.995 1.445 1.00 0.00 N ATOM 0 H LYS A 3 13.516 -7.025 -1.021 1.00 0.00 H new ATOM 0 HA LYS A 3 12.453 -9.667 -1.076 1.00 0.00 H new ATOM 0 HB2 LYS A 3 14.389 -10.686 0.206 1.00 0.00 H new ATOM 0 HB3 LYS A 3 14.664 -10.446 -1.508 1.00 0.00 H new ATOM 0 HG2 LYS A 3 16.196 -8.725 -1.171 1.00 0.00 H new ATOM 0 HG3 LYS A 3 15.515 -8.268 0.378 1.00 0.00 H new ATOM 0 HD2 LYS A 3 16.396 -10.376 1.381 1.00 0.00 H new ATOM 0 HD3 LYS A 3 17.088 -10.818 -0.167 1.00 0.00 H new ATOM 0 HE2 LYS A 3 18.467 -8.730 -0.127 1.00 0.00 H new ATOM 0 HE3 LYS A 3 17.798 -8.333 1.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 19.944 -9.407 1.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 18.738 -10.388 2.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 19.386 -10.772 0.810 1.00 0.00 H new ATOM 66 N LEU A 4 11.756 -9.219 1.256 1.00 0.00 N ATOM 67 CA LEU A 4 11.248 -8.883 2.581 1.00 0.00 C ATOM 68 C LEU A 4 10.037 -9.741 2.938 1.00 0.00 C ATOM 69 O LEU A 4 9.248 -10.112 2.069 1.00 0.00 O ATOM 70 CB LEU A 4 10.874 -7.396 2.657 1.00 0.00 C ATOM 71 CG LEU A 4 10.400 -6.757 1.344 1.00 0.00 C ATOM 72 CD1 LEU A 4 9.321 -7.605 0.688 1.00 0.00 C ATOM 73 CD2 LEU A 4 9.888 -5.346 1.597 1.00 0.00 C ATOM 0 H LEU A 4 11.216 -9.932 0.766 1.00 0.00 H new ATOM 0 HA LEU A 4 12.041 -9.086 3.301 1.00 0.00 H new ATOM 0 HB2 LEU A 4 10.087 -7.277 3.402 1.00 0.00 H new ATOM 0 HB3 LEU A 4 11.740 -6.841 3.017 1.00 0.00 H new ATOM 0 HG LEU A 4 11.250 -6.703 0.663 1.00 0.00 H new ATOM 0 HD11 LEU A 4 9.001 -7.132 -0.240 1.00 0.00 H new ATOM 0 HD12 LEU A 4 9.719 -8.597 0.472 1.00 0.00 H new ATOM 0 HD13 LEU A 4 8.469 -7.695 1.362 1.00 0.00 H new ATOM 0 HD21 LEU A 4 9.555 -4.906 0.657 1.00 0.00 H new ATOM 0 HD22 LEU A 4 9.053 -5.382 2.296 1.00 0.00 H new ATOM 0 HD23 LEU A 4 10.689 -4.739 2.019 1.00 0.00 H new ATOM 85 N SER A 5 9.895 -10.046 4.224 1.00 0.00 N ATOM 86 CA SER A 5 8.778 -10.854 4.703 1.00 0.00 C ATOM 87 C SER A 5 7.469 -10.094 4.554 1.00 0.00 C ATOM 88 O SER A 5 7.466 -8.873 4.394 1.00 0.00 O ATOM 89 CB SER A 5 8.993 -11.242 6.167 1.00 0.00 C ATOM 90 OG SER A 5 10.334 -11.637 6.398 1.00 0.00 O ATOM 0 H SER A 5 10.540 -9.745 4.954 1.00 0.00 H new ATOM 0 HA SER A 5 8.727 -11.761 4.101 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.743 -10.399 6.811 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.320 -12.057 6.433 1.00 0.00 H new ATOM 0 HG SER A 5 10.446 -11.878 7.341 1.00 0.00 H new ATOM 96 N ASP A 6 6.353 -10.816 4.620 1.00 0.00 N ATOM 97 CA ASP A 6 5.038 -10.180 4.503 1.00 0.00 C ATOM 98 C ASP A 6 4.858 -9.141 5.606 1.00 0.00 C ATOM 99 O ASP A 6 4.107 -8.178 5.449 1.00 0.00 O ATOM 100 CB ASP A 6 3.882 -11.197 4.564 1.00 0.00 C ATOM 101 CG ASP A 6 4.241 -12.570 4.021 1.00 0.00 C ATOM 102 OD1 ASP A 6 4.531 -12.673 2.811 1.00 0.00 O ATOM 103 OD2 ASP A 6 4.231 -13.541 4.807 1.00 0.00 O ATOM 0 H ASP A 6 6.329 -11.827 4.752 1.00 0.00 H new ATOM 0 HA ASP A 6 5.004 -9.700 3.525 1.00 0.00 H new ATOM 0 HB2 ASP A 6 3.556 -11.300 5.599 1.00 0.00 H new ATOM 0 HB3 ASP A 6 3.035 -10.804 4.001 1.00 0.00 H new ATOM 108 N GLU A 7 5.565 -9.333 6.718 1.00 0.00 N ATOM 109 CA GLU A 7 5.491 -8.403 7.834 1.00 0.00 C ATOM 110 C GLU A 7 6.200 -7.104 7.479 1.00 0.00 C ATOM 111 O GLU A 7 5.754 -6.019 7.843 1.00 0.00 O ATOM 112 CB GLU A 7 6.108 -9.026 9.091 1.00 0.00 C ATOM 113 CG GLU A 7 5.078 -9.465 10.119 1.00 0.00 C ATOM 114 CD GLU A 7 4.409 -10.776 9.752 1.00 0.00 C ATOM 115 OE1 GLU A 7 5.127 -11.714 9.342 1.00 0.00 O ATOM 116 OE2 GLU A 7 3.169 -10.865 9.872 1.00 0.00 O ATOM 0 H GLU A 7 6.193 -10.123 6.866 1.00 0.00 H new ATOM 0 HA GLU A 7 4.443 -8.184 8.040 1.00 0.00 H new ATOM 0 HB2 GLU A 7 6.711 -9.887 8.802 1.00 0.00 H new ATOM 0 HB3 GLU A 7 6.783 -8.304 9.550 1.00 0.00 H new ATOM 0 HG2 GLU A 7 5.561 -9.567 11.091 1.00 0.00 H new ATOM 0 HG3 GLU A 7 4.318 -8.690 10.221 1.00 0.00 H new ATOM 123 N LEU A 8 7.302 -7.234 6.750 1.00 0.00 N ATOM 124 CA LEU A 8 8.078 -6.080 6.320 1.00 0.00 C ATOM 125 C LEU A 8 7.430 -5.426 5.106 1.00 0.00 C ATOM 126 O LEU A 8 7.476 -4.207 4.941 1.00 0.00 O ATOM 127 CB LEU A 8 9.506 -6.495 5.987 1.00 0.00 C ATOM 128 CG LEU A 8 10.448 -6.539 7.186 1.00 0.00 C ATOM 129 CD1 LEU A 8 10.657 -5.144 7.752 1.00 0.00 C ATOM 130 CD2 LEU A 8 9.905 -7.476 8.254 1.00 0.00 C ATOM 0 H LEU A 8 7.678 -8.131 6.444 1.00 0.00 H new ATOM 0 HA LEU A 8 8.102 -5.359 7.137 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.485 -7.480 5.521 1.00 0.00 H new ATOM 0 HB3 LEU A 8 9.910 -5.802 5.249 1.00 0.00 H new ATOM 0 HG LEU A 8 11.413 -6.920 6.853 1.00 0.00 H new ATOM 0 HD11 LEU A 8 11.332 -5.195 8.607 1.00 0.00 H new ATOM 0 HD12 LEU A 8 11.090 -4.502 6.986 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.699 -4.733 8.070 1.00 0.00 H new ATOM 0 HD21 LEU A 8 10.589 -7.496 9.102 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.928 -7.124 8.584 1.00 0.00 H new ATOM 0 HD23 LEU A 8 9.809 -8.481 7.842 1.00 0.00 H new ATOM 142 N LEU A 9 6.821 -6.253 4.262 1.00 0.00 N ATOM 143 CA LEU A 9 6.153 -5.770 3.061 1.00 0.00 C ATOM 144 C LEU A 9 4.839 -5.094 3.416 1.00 0.00 C ATOM 145 O LEU A 9 4.543 -3.996 2.944 1.00 0.00 O ATOM 146 CB LEU A 9 5.907 -6.934 2.093 1.00 0.00 C ATOM 147 CG LEU A 9 5.075 -6.598 0.852 1.00 0.00 C ATOM 148 CD1 LEU A 9 5.922 -5.867 -0.176 1.00 0.00 C ATOM 149 CD2 LEU A 9 4.480 -7.866 0.251 1.00 0.00 C ATOM 0 H LEU A 9 6.777 -7.264 4.389 1.00 0.00 H new ATOM 0 HA LEU A 9 6.797 -5.036 2.576 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.872 -7.322 1.767 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.408 -7.736 2.637 1.00 0.00 H new ATOM 0 HG LEU A 9 4.258 -5.942 1.152 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.314 -5.637 -1.051 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.301 -4.941 0.257 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.760 -6.498 -0.472 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.892 -7.610 -0.630 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.283 -8.545 -0.034 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.839 -8.351 0.987 1.00 0.00 H new ATOM 161 N ILE A 10 4.055 -5.750 4.257 1.00 0.00 N ATOM 162 CA ILE A 10 2.778 -5.203 4.673 1.00 0.00 C ATOM 163 C ILE A 10 2.984 -3.978 5.553 1.00 0.00 C ATOM 164 O ILE A 10 2.204 -3.026 5.502 1.00 0.00 O ATOM 165 CB ILE A 10 1.925 -6.260 5.400 1.00 0.00 C ATOM 166 CG1 ILE A 10 1.665 -7.428 4.455 1.00 0.00 C ATOM 167 CG2 ILE A 10 0.607 -5.670 5.885 1.00 0.00 C ATOM 168 CD1 ILE A 10 1.395 -8.723 5.168 1.00 0.00 C ATOM 0 H ILE A 10 4.281 -6.658 4.662 1.00 0.00 H new ATOM 0 HA ILE A 10 2.236 -4.900 3.778 1.00 0.00 H new ATOM 0 HB ILE A 10 2.471 -6.608 6.276 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.814 -7.188 3.818 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.527 -7.555 3.800 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.028 -6.441 6.394 1.00 0.00 H new ATOM 0 HG22 ILE A 10 0.807 -4.851 6.576 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.041 -5.295 5.033 1.00 0.00 H new ATOM 0 HD11 ILE A 10 1.219 -9.511 4.436 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.255 -8.985 5.784 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.515 -8.613 5.802 1.00 0.00 H new ATOM 180 N GLU A 11 4.051 -3.996 6.340 1.00 0.00 N ATOM 181 CA GLU A 11 4.369 -2.870 7.204 1.00 0.00 C ATOM 182 C GLU A 11 4.637 -1.627 6.368 1.00 0.00 C ATOM 183 O GLU A 11 4.399 -0.508 6.815 1.00 0.00 O ATOM 184 CB GLU A 11 5.584 -3.186 8.074 1.00 0.00 C ATOM 185 CG GLU A 11 5.232 -3.812 9.413 1.00 0.00 C ATOM 186 CD GLU A 11 4.643 -2.811 10.388 1.00 0.00 C ATOM 187 OE1 GLU A 11 5.415 -2.007 10.952 1.00 0.00 O ATOM 188 OE2 GLU A 11 3.411 -2.832 10.588 1.00 0.00 O ATOM 0 H GLU A 11 4.708 -4.774 6.397 1.00 0.00 H new ATOM 0 HA GLU A 11 3.515 -2.684 7.855 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.243 -3.862 7.529 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.143 -2.267 8.249 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.520 -4.622 9.255 1.00 0.00 H new ATOM 0 HG3 GLU A 11 6.127 -4.255 9.849 1.00 0.00 H new ATOM 195 N SER A 12 5.122 -1.831 5.145 1.00 0.00 N ATOM 196 CA SER A 12 5.404 -0.720 4.246 1.00 0.00 C ATOM 197 C SER A 12 4.099 -0.146 3.717 1.00 0.00 C ATOM 198 O SER A 12 3.901 1.069 3.703 1.00 0.00 O ATOM 199 CB SER A 12 6.289 -1.180 3.086 1.00 0.00 C ATOM 200 OG SER A 12 7.206 -0.166 2.711 1.00 0.00 O ATOM 0 H SER A 12 5.326 -2.752 4.757 1.00 0.00 H new ATOM 0 HA SER A 12 5.938 0.054 4.798 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.834 -2.079 3.374 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.666 -1.445 2.232 1.00 0.00 H new ATOM 0 HG SER A 12 7.144 -0.010 1.746 1.00 0.00 H new ATOM 206 N TYR A 13 3.204 -1.034 3.299 1.00 0.00 N ATOM 207 CA TYR A 13 1.905 -0.622 2.790 1.00 0.00 C ATOM 208 C TYR A 13 1.112 0.058 3.897 1.00 0.00 C ATOM 209 O TYR A 13 0.380 1.017 3.657 1.00 0.00 O ATOM 210 CB TYR A 13 1.130 -1.830 2.265 1.00 0.00 C ATOM 211 CG TYR A 13 -0.152 -1.465 1.553 1.00 0.00 C ATOM 212 CD1 TYR A 13 -0.129 -0.762 0.355 1.00 0.00 C ATOM 213 CD2 TYR A 13 -1.387 -1.824 2.079 1.00 0.00 C ATOM 214 CE1 TYR A 13 -1.300 -0.427 -0.298 1.00 0.00 C ATOM 215 CE2 TYR A 13 -2.563 -1.492 1.431 1.00 0.00 C ATOM 216 CZ TYR A 13 -2.513 -0.794 0.244 1.00 0.00 C ATOM 217 OH TYR A 13 -3.681 -0.462 -0.404 1.00 0.00 O ATOM 0 H TYR A 13 3.356 -2.043 3.303 1.00 0.00 H new ATOM 0 HA TYR A 13 2.056 0.079 1.969 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.768 -2.391 1.582 1.00 0.00 H new ATOM 0 HB3 TYR A 13 0.897 -2.492 3.099 1.00 0.00 H new ATOM 0 HD1 TYR A 13 0.819 -0.473 -0.073 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.429 -2.371 3.009 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -1.265 0.120 -1.229 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -3.515 -1.778 1.853 1.00 0.00 H new ATOM 0 HH TYR A 13 -3.815 -1.063 -1.166 1.00 0.00 H new ATOM 227 N PHE A 14 1.274 -0.453 5.111 1.00 0.00 N ATOM 228 CA PHE A 14 0.585 0.093 6.272 1.00 0.00 C ATOM 229 C PHE A 14 1.223 1.413 6.694 1.00 0.00 C ATOM 230 O PHE A 14 0.534 2.411 6.913 1.00 0.00 O ATOM 231 CB PHE A 14 0.631 -0.915 7.427 1.00 0.00 C ATOM 232 CG PHE A 14 -0.258 -2.133 7.254 1.00 0.00 C ATOM 233 CD1 PHE A 14 -0.788 -2.481 6.014 1.00 0.00 C ATOM 234 CD2 PHE A 14 -0.550 -2.939 8.345 1.00 0.00 C ATOM 235 CE1 PHE A 14 -1.589 -3.601 5.874 1.00 0.00 C ATOM 236 CE2 PHE A 14 -1.348 -4.061 8.206 1.00 0.00 C ATOM 237 CZ PHE A 14 -1.868 -4.392 6.970 1.00 0.00 C ATOM 0 H PHE A 14 1.879 -1.248 5.317 1.00 0.00 H new ATOM 0 HA PHE A 14 -0.456 0.282 6.009 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.660 -1.251 7.555 1.00 0.00 H new ATOM 0 HB3 PHE A 14 0.346 -0.404 8.346 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.571 -1.869 5.151 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -0.149 -2.687 9.316 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -1.996 -3.856 4.907 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.564 -4.679 9.065 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.491 -5.267 6.861 1.00 0.00 H new ATOM 247 N LYS A 15 2.547 1.413 6.794 1.00 0.00 N ATOM 248 CA LYS A 15 3.285 2.609 7.176 1.00 0.00 C ATOM 249 C LYS A 15 3.112 3.698 6.128 1.00 0.00 C ATOM 250 O LYS A 15 2.898 4.864 6.458 1.00 0.00 O ATOM 251 CB LYS A 15 4.773 2.287 7.341 1.00 0.00 C ATOM 252 CG LYS A 15 5.120 1.675 8.688 1.00 0.00 C ATOM 253 CD LYS A 15 6.610 1.764 8.973 1.00 0.00 C ATOM 254 CE LYS A 15 7.409 0.859 8.050 1.00 0.00 C ATOM 255 NZ LYS A 15 8.818 0.707 8.503 1.00 0.00 N ATOM 0 H LYS A 15 3.131 0.596 6.615 1.00 0.00 H new ATOM 0 HA LYS A 15 2.889 2.965 8.127 1.00 0.00 H new ATOM 0 HB2 LYS A 15 5.077 1.600 6.551 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.351 3.202 7.208 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.567 2.187 9.475 1.00 0.00 H new ATOM 0 HG3 LYS A 15 4.807 0.631 8.706 1.00 0.00 H new ATOM 0 HD2 LYS A 15 6.944 2.795 8.852 1.00 0.00 H new ATOM 0 HD3 LYS A 15 6.800 1.487 10.010 1.00 0.00 H new ATOM 0 HE2 LYS A 15 6.935 -0.121 8.004 1.00 0.00 H new ATOM 0 HE3 LYS A 15 7.395 1.268 7.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 9.328 0.082 7.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 9.279 1.639 8.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 8.833 0.293 9.457 1.00 0.00 H new ATOM 269 N ALA A 16 3.213 3.306 4.862 1.00 0.00 N ATOM 270 CA ALA A 16 3.077 4.244 3.757 1.00 0.00 C ATOM 271 C ALA A 16 1.694 4.879 3.728 1.00 0.00 C ATOM 272 O ALA A 16 1.557 6.062 3.423 1.00 0.00 O ATOM 273 CB ALA A 16 3.375 3.552 2.436 1.00 0.00 C ATOM 0 H ALA A 16 3.389 2.343 4.577 1.00 0.00 H new ATOM 0 HA ALA A 16 3.803 5.043 3.908 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.269 4.266 1.619 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.394 3.165 2.450 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.676 2.728 2.291 1.00 0.00 H new ATOM 279 N THR A 17 0.667 4.100 4.048 1.00 0.00 N ATOM 280 CA THR A 17 -0.692 4.621 4.057 1.00 0.00 C ATOM 281 C THR A 17 -0.854 5.657 5.164 1.00 0.00 C ATOM 282 O THR A 17 -1.618 6.611 5.030 1.00 0.00 O ATOM 283 CB THR A 17 -1.707 3.490 4.239 1.00 0.00 C ATOM 284 OG1 THR A 17 -1.386 2.701 5.369 1.00 0.00 O ATOM 285 CG2 THR A 17 -1.795 2.567 3.043 1.00 0.00 C ATOM 0 H THR A 17 0.749 3.116 4.302 1.00 0.00 H new ATOM 0 HA THR A 17 -0.880 5.099 3.096 1.00 0.00 H new ATOM 0 HB THR A 17 -2.669 3.986 4.367 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.572 3.048 5.789 1.00 0.00 H new ATOM 0 HG21 THR A 17 -2.532 1.788 3.238 1.00 0.00 H new ATOM 0 HG22 THR A 17 -2.094 3.138 2.164 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.822 2.109 2.864 1.00 0.00 H new ATOM 293 N GLU A 18 -0.124 5.458 6.260 1.00 0.00 N ATOM 294 CA GLU A 18 -0.182 6.372 7.396 1.00 0.00 C ATOM 295 C GLU A 18 0.563 7.673 7.108 1.00 0.00 C ATOM 296 O GLU A 18 0.042 8.762 7.340 1.00 0.00 O ATOM 297 CB GLU A 18 0.402 5.696 8.641 1.00 0.00 C ATOM 298 CG GLU A 18 -0.653 5.087 9.551 1.00 0.00 C ATOM 299 CD GLU A 18 -0.057 4.469 10.801 1.00 0.00 C ATOM 300 OE1 GLU A 18 1.032 3.865 10.702 1.00 0.00 O ATOM 301 OE2 GLU A 18 -0.679 4.590 11.877 1.00 0.00 O ATOM 0 H GLU A 18 0.514 4.672 6.384 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.228 6.620 7.574 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.096 4.915 8.329 1.00 0.00 H new ATOM 0 HB3 GLU A 18 0.979 6.428 9.206 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.370 5.857 9.837 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.206 4.325 9.001 1.00 0.00 H new ATOM 308 N MET A 19 1.788 7.548 6.614 1.00 0.00 N ATOM 309 CA MET A 19 2.615 8.708 6.305 1.00 0.00 C ATOM 310 C MET A 19 2.250 9.342 4.961 1.00 0.00 C ATOM 311 O MET A 19 2.669 10.461 4.665 1.00 0.00 O ATOM 312 CB MET A 19 4.088 8.301 6.297 1.00 0.00 C ATOM 313 CG MET A 19 4.466 7.373 5.153 1.00 0.00 C ATOM 314 SD MET A 19 6.237 7.041 5.087 1.00 0.00 S ATOM 315 CE MET A 19 6.244 5.252 5.146 1.00 0.00 C ATOM 0 H MET A 19 2.233 6.651 6.418 1.00 0.00 H new ATOM 0 HA MET A 19 2.433 9.454 7.079 1.00 0.00 H new ATOM 0 HB2 MET A 19 4.703 9.200 6.241 1.00 0.00 H new ATOM 0 HB3 MET A 19 4.324 7.812 7.242 1.00 0.00 H new ATOM 0 HG2 MET A 19 3.927 6.432 5.260 1.00 0.00 H new ATOM 0 HG3 MET A 19 4.148 7.817 4.210 1.00 0.00 H new ATOM 0 HE1 MET A 19 7.270 4.895 5.239 1.00 0.00 H new ATOM 0 HE2 MET A 19 5.663 4.914 6.004 1.00 0.00 H new ATOM 0 HE3 MET A 19 5.803 4.856 4.231 1.00 0.00 H new ATOM 325 N ASN A 20 1.488 8.618 4.143 1.00 0.00 N ATOM 326 CA ASN A 20 1.088 9.099 2.819 1.00 0.00 C ATOM 327 C ASN A 20 2.265 9.012 1.855 1.00 0.00 C ATOM 328 O ASN A 20 2.479 9.899 1.028 1.00 0.00 O ATOM 329 CB ASN A 20 0.557 10.535 2.879 1.00 0.00 C ATOM 330 CG ASN A 20 -0.399 10.752 4.035 1.00 0.00 C ATOM 331 OD1 ASN A 20 -0.112 11.512 4.960 1.00 0.00 O ATOM 332 ND2 ASN A 20 -1.545 10.081 3.987 1.00 0.00 N ATOM 0 H ASN A 20 1.133 7.690 4.375 1.00 0.00 H new ATOM 0 HA ASN A 20 0.280 8.461 2.460 1.00 0.00 H new ATOM 0 HB2 ASN A 20 1.395 11.226 2.970 1.00 0.00 H new ATOM 0 HB3 ASN A 20 0.050 10.771 1.943 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -2.229 10.185 4.737 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -1.741 9.462 3.201 1.00 0.00 H new ATOM 339 N LEU A 21 3.026 7.926 1.972 1.00 0.00 N ATOM 340 CA LEU A 21 4.192 7.691 1.124 1.00 0.00 C ATOM 341 C LEU A 21 3.796 7.720 -0.352 1.00 0.00 C ATOM 342 O LEU A 21 2.628 7.524 -0.688 1.00 0.00 O ATOM 343 CB LEU A 21 4.819 6.336 1.477 1.00 0.00 C ATOM 344 CG LEU A 21 6.317 6.200 1.191 1.00 0.00 C ATOM 345 CD1 LEU A 21 6.923 5.110 2.066 1.00 0.00 C ATOM 346 CD2 LEU A 21 6.565 5.907 -0.286 1.00 0.00 C ATOM 0 H LEU A 21 2.853 7.187 2.654 1.00 0.00 H new ATOM 0 HA LEU A 21 4.921 8.482 1.298 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.652 6.145 2.537 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.291 5.558 0.926 1.00 0.00 H new ATOM 0 HG LEU A 21 6.801 7.147 1.430 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.988 5.023 1.853 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.782 5.366 3.116 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.432 4.160 1.856 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.636 5.815 -0.464 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.070 4.975 -0.560 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.166 6.721 -0.891 1.00 0.00 H new ATOM 358 N ASN A 22 4.772 7.974 -1.228 1.00 0.00 N ATOM 359 CA ASN A 22 4.536 8.038 -2.678 1.00 0.00 C ATOM 360 C ASN A 22 3.598 6.928 -3.160 1.00 0.00 C ATOM 361 O ASN A 22 3.751 5.764 -2.789 1.00 0.00 O ATOM 362 CB ASN A 22 5.866 7.951 -3.430 1.00 0.00 C ATOM 363 CG ASN A 22 5.709 8.220 -4.913 1.00 0.00 C ATOM 364 OD1 ASN A 22 4.646 7.993 -5.489 1.00 0.00 O ATOM 365 ND2 ASN A 22 6.773 8.706 -5.542 1.00 0.00 N ATOM 0 H ASN A 22 5.741 8.140 -0.958 1.00 0.00 H new ATOM 0 HA ASN A 22 4.054 8.993 -2.886 1.00 0.00 H new ATOM 0 HB2 ASN A 22 6.568 8.669 -3.006 1.00 0.00 H new ATOM 0 HB3 ASN A 22 6.297 6.960 -3.287 1.00 0.00 H new ATOM 0 HD21 ASN A 22 6.728 8.906 -6.541 1.00 0.00 H new ATOM 0 HD22 ASN A 22 7.635 8.880 -5.026 1.00 0.00 H new ATOM 372 N ARG A 23 2.620 7.307 -3.979 1.00 0.00 N ATOM 373 CA ARG A 23 1.642 6.361 -4.508 1.00 0.00 C ATOM 374 C ARG A 23 2.311 5.190 -5.220 1.00 0.00 C ATOM 375 O ARG A 23 1.743 4.102 -5.304 1.00 0.00 O ATOM 376 CB ARG A 23 0.685 7.074 -5.466 1.00 0.00 C ATOM 377 CG ARG A 23 -0.668 6.389 -5.597 1.00 0.00 C ATOM 378 CD ARG A 23 -0.847 5.751 -6.967 1.00 0.00 C ATOM 379 NE ARG A 23 -1.649 6.586 -7.860 1.00 0.00 N ATOM 380 CZ ARG A 23 -2.275 6.133 -8.946 1.00 0.00 C ATOM 381 NH1 ARG A 23 -2.199 4.850 -9.287 1.00 0.00 N ATOM 382 NH2 ARG A 23 -2.982 6.967 -9.697 1.00 0.00 N ATOM 0 H ARG A 23 2.484 8.268 -4.292 1.00 0.00 H new ATOM 0 HA ARG A 23 1.083 5.960 -3.663 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.533 8.097 -5.121 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.149 7.136 -6.451 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.766 5.626 -4.825 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.462 7.117 -5.428 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.131 5.576 -7.416 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.325 4.778 -6.854 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.735 7.578 -7.638 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -1.658 4.202 -8.715 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -2.682 4.514 -10.120 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -3.046 7.953 -9.443 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -3.462 6.623 -10.529 1.00 0.00 H new ATOM 396 N ASP A 24 3.514 5.414 -5.737 1.00 0.00 N ATOM 397 CA ASP A 24 4.236 4.364 -6.442 1.00 0.00 C ATOM 398 C ASP A 24 4.697 3.276 -5.479 1.00 0.00 C ATOM 399 O ASP A 24 4.683 2.092 -5.816 1.00 0.00 O ATOM 400 CB ASP A 24 5.435 4.947 -7.190 1.00 0.00 C ATOM 401 CG ASP A 24 5.024 5.711 -8.434 1.00 0.00 C ATOM 402 OD1 ASP A 24 4.234 6.670 -8.308 1.00 0.00 O ATOM 403 OD2 ASP A 24 5.492 5.349 -9.534 1.00 0.00 O ATOM 0 H ASP A 24 4.006 6.306 -5.682 1.00 0.00 H new ATOM 0 HA ASP A 24 3.554 3.916 -7.165 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.987 5.611 -6.525 1.00 0.00 H new ATOM 0 HB3 ASP A 24 6.113 4.140 -7.470 1.00 0.00 H new ATOM 408 N PHE A 25 5.088 3.678 -4.275 1.00 0.00 N ATOM 409 CA PHE A 25 5.530 2.728 -3.267 1.00 0.00 C ATOM 410 C PHE A 25 4.325 1.998 -2.700 1.00 0.00 C ATOM 411 O PHE A 25 4.353 0.786 -2.494 1.00 0.00 O ATOM 412 CB PHE A 25 6.293 3.440 -2.149 1.00 0.00 C ATOM 413 CG PHE A 25 7.267 2.552 -1.428 1.00 0.00 C ATOM 414 CD1 PHE A 25 8.127 1.726 -2.136 1.00 0.00 C ATOM 415 CD2 PHE A 25 7.324 2.542 -0.045 1.00 0.00 C ATOM 416 CE1 PHE A 25 9.025 0.909 -1.476 1.00 0.00 C ATOM 417 CE2 PHE A 25 8.219 1.726 0.621 1.00 0.00 C ATOM 418 CZ PHE A 25 9.071 0.908 -0.096 1.00 0.00 C ATOM 0 H PHE A 25 5.107 4.653 -3.976 1.00 0.00 H new ATOM 0 HA PHE A 25 6.205 2.008 -3.730 1.00 0.00 H new ATOM 0 HB2 PHE A 25 6.831 4.289 -2.571 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.578 3.841 -1.430 1.00 0.00 H new ATOM 0 HD1 PHE A 25 8.095 1.721 -3.216 1.00 0.00 H new ATOM 0 HD2 PHE A 25 6.661 3.180 0.521 1.00 0.00 H new ATOM 0 HE1 PHE A 25 9.690 0.272 -2.039 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.252 1.728 1.700 1.00 0.00 H new ATOM 0 HZ PHE A 25 9.771 0.269 0.422 1.00 0.00 H new ATOM 428 N ILE A 26 3.254 2.750 -2.476 1.00 0.00 N ATOM 429 CA ILE A 26 2.017 2.185 -1.960 1.00 0.00 C ATOM 430 C ILE A 26 1.463 1.161 -2.946 1.00 0.00 C ATOM 431 O ILE A 26 1.070 0.062 -2.559 1.00 0.00 O ATOM 432 CB ILE A 26 0.971 3.298 -1.693 1.00 0.00 C ATOM 433 CG1 ILE A 26 1.473 4.230 -0.588 1.00 0.00 C ATOM 434 CG2 ILE A 26 -0.388 2.707 -1.315 1.00 0.00 C ATOM 435 CD1 ILE A 26 0.504 5.340 -0.235 1.00 0.00 C ATOM 0 H ILE A 26 3.219 3.755 -2.645 1.00 0.00 H new ATOM 0 HA ILE A 26 2.231 1.688 -1.014 1.00 0.00 H new ATOM 0 HB ILE A 26 0.839 3.869 -2.612 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.677 3.641 0.306 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.419 4.672 -0.901 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.098 3.514 -1.134 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.751 2.079 -2.129 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.285 2.106 -0.412 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.931 5.958 0.555 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.318 5.955 -1.116 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.435 4.907 0.110 1.00 0.00 H new ATOM 447 N GLU A 27 1.445 1.527 -4.224 1.00 0.00 N ATOM 448 CA GLU A 27 0.950 0.630 -5.258 1.00 0.00 C ATOM 449 C GLU A 27 1.930 -0.516 -5.472 1.00 0.00 C ATOM 450 O GLU A 27 1.532 -1.643 -5.765 1.00 0.00 O ATOM 451 CB GLU A 27 0.727 1.392 -6.567 1.00 0.00 C ATOM 452 CG GLU A 27 -0.533 0.972 -7.305 1.00 0.00 C ATOM 453 CD GLU A 27 -0.411 1.134 -8.807 1.00 0.00 C ATOM 454 OE1 GLU A 27 -0.650 2.256 -9.304 1.00 0.00 O ATOM 455 OE2 GLU A 27 -0.080 0.141 -9.488 1.00 0.00 O ATOM 0 H GLU A 27 1.766 2.433 -4.565 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.005 0.218 -4.933 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.674 2.459 -6.352 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.588 1.240 -7.218 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.755 -0.069 -7.073 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.374 1.565 -6.947 1.00 0.00 H new ATOM 462 N LEU A 28 3.214 -0.217 -5.311 1.00 0.00 N ATOM 463 CA LEU A 28 4.260 -1.215 -5.469 1.00 0.00 C ATOM 464 C LEU A 28 4.149 -2.265 -4.366 1.00 0.00 C ATOM 465 O LEU A 28 4.179 -3.468 -4.632 1.00 0.00 O ATOM 466 CB LEU A 28 5.634 -0.521 -5.452 1.00 0.00 C ATOM 467 CG LEU A 28 6.845 -1.410 -5.138 1.00 0.00 C ATOM 468 CD1 LEU A 28 8.100 -0.842 -5.780 1.00 0.00 C ATOM 469 CD2 LEU A 28 7.029 -1.538 -3.634 1.00 0.00 C ATOM 0 H LEU A 28 3.555 0.714 -5.070 1.00 0.00 H new ATOM 0 HA LEU A 28 4.146 -1.725 -6.425 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.794 -0.057 -6.425 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.601 0.283 -4.717 1.00 0.00 H new ATOM 0 HG LEU A 28 6.665 -2.402 -5.552 1.00 0.00 H new ATOM 0 HD11 LEU A 28 8.950 -1.484 -5.548 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.966 -0.794 -6.861 1.00 0.00 H new ATOM 0 HD13 LEU A 28 8.285 0.160 -5.392 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.891 -2.171 -3.426 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.191 -0.550 -3.202 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.137 -1.984 -3.195 1.00 0.00 H new ATOM 481 N ILE A 29 4.001 -1.802 -3.131 1.00 0.00 N ATOM 482 CA ILE A 29 3.868 -2.702 -1.997 1.00 0.00 C ATOM 483 C ILE A 29 2.542 -3.451 -2.076 1.00 0.00 C ATOM 484 O ILE A 29 2.443 -4.604 -1.659 1.00 0.00 O ATOM 485 CB ILE A 29 3.955 -1.945 -0.656 1.00 0.00 C ATOM 486 CG1 ILE A 29 5.221 -1.089 -0.607 1.00 0.00 C ATOM 487 CG2 ILE A 29 3.934 -2.924 0.505 1.00 0.00 C ATOM 488 CD1 ILE A 29 5.029 0.233 0.104 1.00 0.00 C ATOM 0 H ILE A 29 3.970 -0.811 -2.892 1.00 0.00 H new ATOM 0 HA ILE A 29 4.695 -3.411 -2.040 1.00 0.00 H new ATOM 0 HB ILE A 29 3.090 -1.288 -0.573 1.00 0.00 H new ATOM 0 HG12 ILE A 29 6.010 -1.650 -0.107 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.561 -0.899 -1.625 1.00 0.00 H new ATOM 0 HG21 ILE A 29 3.996 -2.375 1.445 1.00 0.00 H new ATOM 0 HG22 ILE A 29 3.008 -3.498 0.480 1.00 0.00 H new ATOM 0 HG23 ILE A 29 4.783 -3.602 0.424 1.00 0.00 H new ATOM 0 HD11 ILE A 29 5.967 0.788 0.101 1.00 0.00 H new ATOM 0 HD12 ILE A 29 4.262 0.814 -0.409 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.719 0.051 1.133 1.00 0.00 H new ATOM 500 N GLU A 30 1.531 -2.790 -2.631 1.00 0.00 N ATOM 501 CA GLU A 30 0.216 -3.395 -2.785 1.00 0.00 C ATOM 502 C GLU A 30 0.225 -4.382 -3.946 1.00 0.00 C ATOM 503 O GLU A 30 -0.474 -5.394 -3.922 1.00 0.00 O ATOM 504 CB GLU A 30 -0.845 -2.318 -3.024 1.00 0.00 C ATOM 505 CG GLU A 30 -2.245 -2.738 -2.612 1.00 0.00 C ATOM 506 CD GLU A 30 -3.323 -2.022 -3.403 1.00 0.00 C ATOM 507 OE1 GLU A 30 -3.095 -1.743 -4.598 1.00 0.00 O ATOM 508 OE2 GLU A 30 -4.396 -1.743 -2.827 1.00 0.00 O ATOM 0 H GLU A 30 1.599 -1.834 -2.981 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.028 -3.928 -1.866 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.568 -1.419 -2.473 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.851 -2.055 -4.082 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.353 -3.814 -2.749 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.384 -2.536 -1.550 1.00 0.00 H new ATOM 515 N ASN A 31 1.029 -4.075 -4.961 1.00 0.00 N ATOM 516 CA ASN A 31 1.143 -4.929 -6.134 1.00 0.00 C ATOM 517 C ASN A 31 1.836 -6.243 -5.791 1.00 0.00 C ATOM 518 O ASN A 31 1.584 -7.270 -6.420 1.00 0.00 O ATOM 519 CB ASN A 31 1.913 -4.202 -7.240 1.00 0.00 C ATOM 520 CG ASN A 31 1.016 -3.312 -8.078 1.00 0.00 C ATOM 521 OD1 ASN A 31 1.283 -2.122 -8.243 1.00 0.00 O ATOM 522 ND2 ASN A 31 -0.056 -3.886 -8.613 1.00 0.00 N ATOM 0 H ASN A 31 1.611 -3.238 -4.992 1.00 0.00 H new ATOM 0 HA ASN A 31 0.137 -5.157 -6.487 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.703 -3.599 -6.793 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.397 -4.936 -7.885 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -0.696 -3.337 -9.187 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -0.239 -4.876 -8.450 1.00 0.00 H new ATOM 529 N GLU A 32 2.699 -6.211 -4.779 1.00 0.00 N ATOM 530 CA GLU A 32 3.409 -7.410 -4.351 1.00 0.00 C ATOM 531 C GLU A 32 2.501 -8.252 -3.472 1.00 0.00 C ATOM 532 O GLU A 32 2.390 -9.465 -3.649 1.00 0.00 O ATOM 533 CB GLU A 32 4.685 -7.038 -3.593 1.00 0.00 C ATOM 534 CG GLU A 32 5.648 -8.200 -3.418 1.00 0.00 C ATOM 535 CD GLU A 32 6.684 -8.268 -4.523 1.00 0.00 C ATOM 536 OE1 GLU A 32 6.375 -7.840 -5.654 1.00 0.00 O ATOM 537 OE2 GLU A 32 7.805 -8.752 -4.256 1.00 0.00 O ATOM 0 H GLU A 32 2.922 -5.372 -4.243 1.00 0.00 H new ATOM 0 HA GLU A 32 3.692 -7.987 -5.232 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.192 -6.233 -4.125 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.414 -6.650 -2.611 1.00 0.00 H new ATOM 0 HG2 GLU A 32 6.153 -8.107 -2.456 1.00 0.00 H new ATOM 0 HG3 GLU A 32 5.085 -9.133 -3.394 1.00 0.00 H new ATOM 544 N ILE A 33 1.836 -7.587 -2.539 1.00 0.00 N ATOM 545 CA ILE A 33 0.910 -8.249 -1.639 1.00 0.00 C ATOM 546 C ILE A 33 -0.268 -8.815 -2.429 1.00 0.00 C ATOM 547 O ILE A 33 -0.828 -9.850 -2.071 1.00 0.00 O ATOM 548 CB ILE A 33 0.405 -7.264 -0.558 1.00 0.00 C ATOM 549 CG1 ILE A 33 1.587 -6.719 0.245 1.00 0.00 C ATOM 550 CG2 ILE A 33 -0.602 -7.926 0.380 1.00 0.00 C ATOM 551 CD1 ILE A 33 1.252 -5.478 1.046 1.00 0.00 C ATOM 0 H ILE A 33 1.923 -6.582 -2.387 1.00 0.00 H new ATOM 0 HA ILE A 33 1.431 -9.067 -1.142 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.101 -6.443 -1.065 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.944 -7.494 0.923 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.406 -6.491 -0.438 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.934 -7.204 1.126 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.460 -8.275 -0.195 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.132 -8.773 0.880 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.136 -5.147 1.590 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.924 -4.687 0.371 1.00 0.00 H new ATOM 0 HD13 ILE A 33 0.455 -5.706 1.753 1.00 0.00 H new ATOM 563 N LYS A 34 -0.628 -8.135 -3.516 1.00 0.00 N ATOM 564 CA LYS A 34 -1.727 -8.582 -4.361 1.00 0.00 C ATOM 565 C LYS A 34 -1.319 -9.840 -5.119 1.00 0.00 C ATOM 566 O LYS A 34 -2.059 -10.822 -5.162 1.00 0.00 O ATOM 567 CB LYS A 34 -2.129 -7.477 -5.342 1.00 0.00 C ATOM 568 CG LYS A 34 -3.339 -6.676 -4.891 1.00 0.00 C ATOM 569 CD LYS A 34 -3.815 -5.727 -5.978 1.00 0.00 C ATOM 570 CE LYS A 34 -4.483 -4.495 -5.388 1.00 0.00 C ATOM 571 NZ LYS A 34 -4.553 -3.376 -6.368 1.00 0.00 N ATOM 0 H LYS A 34 -0.175 -7.276 -3.829 1.00 0.00 H new ATOM 0 HA LYS A 34 -2.586 -8.812 -3.730 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.286 -6.800 -5.480 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -2.341 -7.924 -6.313 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.147 -7.356 -4.621 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.088 -6.108 -3.995 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -2.968 -5.424 -6.594 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.516 -6.244 -6.633 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.490 -4.751 -5.058 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.931 -4.171 -4.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -4.051 -2.549 -5.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.108 -3.669 -7.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.548 -3.128 -6.541 1.00 0.00 H new ATOM 585 N ARG A 35 -0.124 -9.803 -5.700 1.00 0.00 N ATOM 586 CA ARG A 35 0.402 -10.943 -6.439 1.00 0.00 C ATOM 587 C ARG A 35 0.773 -12.080 -5.484 1.00 0.00 C ATOM 588 O ARG A 35 0.802 -13.246 -5.876 1.00 0.00 O ATOM 589 CB ARG A 35 1.624 -10.521 -7.258 1.00 0.00 C ATOM 590 CG ARG A 35 1.302 -10.201 -8.708 1.00 0.00 C ATOM 591 CD ARG A 35 2.565 -9.960 -9.520 1.00 0.00 C ATOM 592 NE ARG A 35 3.014 -8.572 -9.435 1.00 0.00 N ATOM 593 CZ ARG A 35 4.143 -8.116 -9.978 1.00 0.00 C ATOM 594 NH1 ARG A 35 4.948 -8.933 -10.652 1.00 0.00 N ATOM 595 NH2 ARG A 35 4.470 -6.838 -9.849 1.00 0.00 N ATOM 0 H ARG A 35 0.498 -8.995 -5.673 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.372 -11.302 -7.118 1.00 0.00 H new ATOM 0 HB2 ARG A 35 2.078 -9.646 -6.793 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.366 -11.319 -7.227 1.00 0.00 H new ATOM 0 HG2 ARG A 35 0.738 -11.024 -9.147 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.665 -9.318 -8.754 1.00 0.00 H new ATOM 0 HD2 ARG A 35 3.356 -10.619 -9.164 1.00 0.00 H new ATOM 0 HD3 ARG A 35 2.380 -10.218 -10.563 1.00 0.00 H new ATOM 0 HE ARG A 35 2.426 -7.910 -8.928 1.00 0.00 H new ATOM 0 HH11 ARG A 35 4.704 -9.918 -10.757 1.00 0.00 H new ATOM 0 HH12 ARG A 35 5.810 -8.575 -11.064 1.00 0.00 H new ATOM 0 HH21 ARG A 35 3.858 -6.204 -9.335 1.00 0.00 H new ATOM 0 HH22 ARG A 35 5.334 -6.488 -10.264 1.00 0.00 H new ATOM 609 N ARG A 36 1.051 -11.729 -4.228 1.00 0.00 N ATOM 610 CA ARG A 36 1.417 -12.714 -3.216 1.00 0.00 C ATOM 611 C ARG A 36 0.184 -13.398 -2.612 1.00 0.00 C ATOM 612 O ARG A 36 0.311 -14.193 -1.681 1.00 0.00 O ATOM 613 CB ARG A 36 2.225 -12.037 -2.105 1.00 0.00 C ATOM 614 CG ARG A 36 3.708 -11.921 -2.415 1.00 0.00 C ATOM 615 CD ARG A 36 4.423 -11.050 -1.394 1.00 0.00 C ATOM 616 NE ARG A 36 5.811 -11.464 -1.196 1.00 0.00 N ATOM 617 CZ ARG A 36 6.184 -12.484 -0.421 1.00 0.00 C ATOM 618 NH1 ARG A 36 5.279 -13.203 0.234 1.00 0.00 N ATOM 619 NH2 ARG A 36 7.469 -12.786 -0.302 1.00 0.00 N ATOM 0 H ARG A 36 1.029 -10.767 -3.889 1.00 0.00 H new ATOM 0 HA ARG A 36 2.019 -13.481 -3.702 1.00 0.00 H new ATOM 0 HB2 ARG A 36 1.820 -11.040 -1.929 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.099 -12.600 -1.181 1.00 0.00 H new ATOM 0 HG2 ARG A 36 4.157 -12.914 -2.426 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.841 -11.500 -3.411 1.00 0.00 H new ATOM 0 HD2 ARG A 36 4.398 -10.011 -1.723 1.00 0.00 H new ATOM 0 HD3 ARG A 36 3.892 -11.096 -0.443 1.00 0.00 H new ATOM 0 HE ARG A 36 6.540 -10.940 -1.681 1.00 0.00 H new ATOM 0 HH11 ARG A 36 4.288 -12.977 0.147 1.00 0.00 H new ATOM 0 HH12 ARG A 36 5.575 -13.981 0.824 1.00 0.00 H new ATOM 0 HH21 ARG A 36 8.170 -12.239 -0.802 1.00 0.00 H new ATOM 0 HH22 ARG A 36 7.757 -13.565 0.290 1.00 0.00 H new ATOM 633 N SER A 37 -1.009 -13.089 -3.131 1.00 0.00 N ATOM 634 CA SER A 37 -2.236 -13.685 -2.612 1.00 0.00 C ATOM 635 C SER A 37 -2.426 -13.313 -1.147 1.00 0.00 C ATOM 636 O SER A 37 -2.936 -14.101 -0.352 1.00 0.00 O ATOM 637 CB SER A 37 -2.200 -15.207 -2.766 1.00 0.00 C ATOM 638 OG SER A 37 -3.508 -15.751 -2.760 1.00 0.00 O ATOM 0 H SER A 37 -1.147 -12.436 -3.902 1.00 0.00 H new ATOM 0 HA SER A 37 -3.077 -13.296 -3.187 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.698 -15.470 -3.697 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.617 -15.644 -1.955 1.00 0.00 H new ATOM 0 HG SER A 37 -3.975 -15.471 -1.945 1.00 0.00 H new ATOM 644 N LEU A 38 -1.995 -12.105 -0.801 1.00 0.00 N ATOM 645 CA LEU A 38 -2.095 -11.612 0.566 1.00 0.00 C ATOM 646 C LEU A 38 -2.880 -10.301 0.610 1.00 0.00 C ATOM 647 O LEU A 38 -2.671 -9.471 1.494 1.00 0.00 O ATOM 648 CB LEU A 38 -0.693 -11.413 1.132 1.00 0.00 C ATOM 649 CG LEU A 38 -0.590 -11.543 2.646 1.00 0.00 C ATOM 650 CD1 LEU A 38 -0.820 -12.985 3.069 1.00 0.00 C ATOM 651 CD2 LEU A 38 0.765 -11.057 3.126 1.00 0.00 C ATOM 0 H LEU A 38 -1.571 -11.446 -1.454 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.629 -12.343 1.172 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.024 -12.141 0.673 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.336 -10.425 0.841 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.361 -10.922 3.103 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.743 -13.063 4.154 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.813 -13.303 2.752 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.069 -13.624 2.605 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.824 -11.156 4.210 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.551 -11.655 2.664 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.895 -10.011 2.850 1.00 0.00 H new ATOM 663 N GLY A 39 -3.790 -10.125 -0.350 1.00 0.00 N ATOM 664 CA GLY A 39 -4.598 -8.918 -0.403 1.00 0.00 C ATOM 665 C GLY A 39 -5.610 -8.830 0.726 1.00 0.00 C ATOM 666 O GLY A 39 -6.243 -7.794 0.911 1.00 0.00 O ATOM 0 H GLY A 39 -3.981 -10.799 -1.092 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.943 -8.047 -0.365 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.123 -8.881 -1.358 1.00 0.00 H new ATOM 670 N HIS A 40 -5.764 -9.904 1.494 1.00 0.00 N ATOM 671 CA HIS A 40 -6.697 -9.895 2.610 1.00 0.00 C ATOM 672 C HIS A 40 -6.043 -9.234 3.823 1.00 0.00 C ATOM 673 O HIS A 40 -6.710 -8.583 4.627 1.00 0.00 O ATOM 674 CB HIS A 40 -7.163 -11.320 2.944 1.00 0.00 C ATOM 675 CG HIS A 40 -6.122 -12.181 3.602 1.00 0.00 C ATOM 676 ND1 HIS A 40 -4.802 -12.344 3.339 1.00 0.00 N flip ATOM 677 CD2 HIS A 40 -6.401 -13.010 4.670 1.00 0.00 C flip ATOM 678 CE1 HIS A 40 -4.316 -13.256 4.244 1.00 0.00 C flip ATOM 679 NE2 HIS A 40 -5.300 -13.642 5.034 1.00 0.00 N flip ATOM 0 H HIS A 40 -5.260 -10.781 1.365 1.00 0.00 H new ATOM 0 HA HIS A 40 -7.578 -9.318 2.329 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -8.032 -11.260 3.599 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -7.489 -11.806 2.025 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -7.369 -13.124 5.135 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -3.294 -13.601 4.300 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -5.223 -14.315 5.797 1.00 0.00 H new ATOM 688 N ILE A 41 -4.726 -9.393 3.928 1.00 0.00 N ATOM 689 CA ILE A 41 -3.960 -8.803 5.014 1.00 0.00 C ATOM 690 C ILE A 41 -4.086 -7.276 4.979 1.00 0.00 C ATOM 691 O ILE A 41 -4.078 -6.610 6.013 1.00 0.00 O ATOM 692 CB ILE A 41 -2.469 -9.242 4.927 1.00 0.00 C ATOM 693 CG1 ILE A 41 -1.810 -9.194 6.304 1.00 0.00 C ATOM 694 CG2 ILE A 41 -1.676 -8.413 3.913 1.00 0.00 C ATOM 695 CD1 ILE A 41 -2.407 -10.187 7.274 1.00 0.00 C ATOM 0 H ILE A 41 -4.166 -9.931 3.266 1.00 0.00 H new ATOM 0 HA ILE A 41 -4.361 -9.158 5.963 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.459 -10.272 4.571 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.743 -9.392 6.198 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.908 -8.189 6.714 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.642 -8.758 3.890 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.119 -8.527 2.924 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.701 -7.362 4.203 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.899 -10.107 8.235 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.468 -9.974 7.405 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.285 -11.197 6.882 1.00 0.00 H new ATOM 707 N ILE A 42 -4.206 -6.745 3.765 1.00 0.00 N ATOM 708 CA ILE A 42 -4.339 -5.311 3.551 1.00 0.00 C ATOM 709 C ILE A 42 -5.787 -4.873 3.700 1.00 0.00 C ATOM 710 O ILE A 42 -6.708 -5.653 3.456 1.00 0.00 O ATOM 711 CB ILE A 42 -3.833 -4.886 2.151 1.00 0.00 C ATOM 712 CG1 ILE A 42 -4.408 -5.779 1.050 1.00 0.00 C ATOM 713 CG2 ILE A 42 -2.322 -4.907 2.103 1.00 0.00 C ATOM 714 CD1 ILE A 42 -3.988 -5.364 -0.343 1.00 0.00 C ATOM 0 H ILE A 42 -4.214 -7.296 2.907 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.725 -4.825 4.309 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.179 -3.868 1.973 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.092 -6.807 1.225 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -5.496 -5.765 1.112 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.985 -4.605 1.111 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.925 -4.216 2.847 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.965 -5.915 2.316 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -4.432 -6.040 -1.073 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.327 -4.347 -0.537 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.902 -5.406 -0.423 1.00 0.00 H new ATOM 726 N SER A 43 -5.987 -3.621 4.091 1.00 0.00 N ATOM 727 CA SER A 43 -7.333 -3.089 4.256 1.00 0.00 C ATOM 728 C SER A 43 -7.953 -2.800 2.893 1.00 0.00 C ATOM 729 O SER A 43 -8.223 -1.649 2.548 1.00 0.00 O ATOM 730 CB SER A 43 -7.306 -1.821 5.112 1.00 0.00 C ATOM 731 OG SER A 43 -8.607 -1.476 5.554 1.00 0.00 O ATOM 0 H SER A 43 -5.239 -2.959 4.299 1.00 0.00 H new ATOM 0 HA SER A 43 -7.943 -3.834 4.767 1.00 0.00 H new ATOM 0 HB2 SER A 43 -6.655 -1.973 5.973 1.00 0.00 H new ATOM 0 HB3 SER A 43 -6.884 -0.998 4.535 1.00 0.00 H new ATOM 0 HG SER A 43 -8.562 -0.663 6.100 1.00 0.00 H new ATOM 737 N VAL A 44 -8.159 -3.857 2.115 1.00 0.00 N ATOM 738 CA VAL A 44 -8.726 -3.731 0.780 1.00 0.00 C ATOM 739 C VAL A 44 -9.992 -4.566 0.633 1.00 0.00 C ATOM 740 O VAL A 44 -10.162 -5.579 1.310 1.00 0.00 O ATOM 741 CB VAL A 44 -7.705 -4.172 -0.285 1.00 0.00 C ATOM 742 CG1 VAL A 44 -8.222 -3.900 -1.686 1.00 0.00 C ATOM 743 CG2 VAL A 44 -6.379 -3.471 -0.063 1.00 0.00 C ATOM 0 H VAL A 44 -7.940 -4.815 2.389 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.979 -2.681 0.633 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.555 -5.247 -0.187 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -7.480 -4.222 -2.417 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -9.150 -4.450 -1.845 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -8.408 -2.833 -1.804 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.666 -3.792 -0.823 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.522 -2.393 -0.131 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.995 -3.724 0.925 1.00 0.00 H new ATOM 753 N SER A 45 -10.873 -4.138 -0.265 1.00 0.00 N ATOM 754 CA SER A 45 -12.117 -4.853 -0.512 1.00 0.00 C ATOM 755 C SER A 45 -12.161 -5.369 -1.945 1.00 0.00 C ATOM 756 O SER A 45 -12.641 -4.685 -2.849 1.00 0.00 O ATOM 757 CB SER A 45 -13.316 -3.941 -0.248 1.00 0.00 C ATOM 758 OG SER A 45 -13.421 -2.935 -1.241 1.00 0.00 O ATOM 0 H SER A 45 -10.748 -3.300 -0.833 1.00 0.00 H new ATOM 0 HA SER A 45 -12.164 -5.704 0.168 1.00 0.00 H new ATOM 0 HB2 SER A 45 -14.230 -4.534 -0.229 1.00 0.00 H new ATOM 0 HB3 SER A 45 -13.215 -3.478 0.734 1.00 0.00 H new ATOM 0 HG SER A 45 -12.984 -3.240 -2.063 1.00 0.00 H new ATOM 764 N SER A 46 -11.655 -6.581 -2.145 1.00 0.00 N ATOM 765 CA SER A 46 -11.634 -7.193 -3.468 1.00 0.00 C ATOM 766 C SER A 46 -13.049 -7.492 -3.953 1.00 0.00 C ATOM 767 O SER A 46 -13.751 -8.272 -3.276 1.00 0.00 O ATOM 768 CB SER A 46 -10.807 -8.480 -3.445 1.00 0.00 C ATOM 769 OG SER A 46 -11.010 -9.195 -2.239 1.00 0.00 O ATOM 770 OXT SER A 46 -13.443 -6.943 -5.003 1.00 0.00 O ATOM 0 H SER A 46 -11.254 -7.159 -1.407 1.00 0.00 H new ATOM 0 HA SER A 46 -11.175 -6.487 -4.160 1.00 0.00 H new ATOM 0 HB2 SER A 46 -11.081 -9.107 -4.294 1.00 0.00 H new ATOM 0 HB3 SER A 46 -9.750 -8.239 -3.555 1.00 0.00 H new ATOM 0 HG SER A 46 -11.967 -9.219 -2.030 1.00 0.00 H new TER 776 SER A 46