USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 641 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 -145:sc= -0.324 (180deg=-1.33!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -179:sc= -3.15! (180deg=-3.27!) USER MOD Single : A 8 ASN : amide:sc= -1.15 K(o=-1.1,f=-11!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 152:sc= -0.0643 (180deg=-0.729) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -4.52! K(o=-4.5!,f=-3.3) USER MOD Single : A 23 THR OG1 : rot 103:sc= 0.663 USER MOD Single : A 27 THR OG1 : rot -69:sc= -2.47 USER MOD Single : A 28 LYS NZ :NH3+ -154:sc= 0.322 (180deg=0.11) USER MOD Single : A 29 THR OG1 : rot 89:sc= 0.207 USER MOD Single : A 30 LYS NZ :NH3+ -155:sc= -0.0186 (180deg=-0.215) USER MOD Single : A 33 GLN : amide:sc= -1.23 K(o=-1.2,f=-0.46) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot -92:sc= 0.772 USER MOD Single : A 37 CYS SG : rot 50:sc= -1 USER MOD Single : A 40 SER OG : rot 1:sc= 0.883 USER MOD Single : A 41 GLN : amide:sc= -6.8! C(o=-6.8!,f=-8.1!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 96:sc= 0.0651 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -1.38 K(o=-1.4,f=-0.79) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -179:sc= 0.114 (180deg=0.102) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 CYS SG : rot 42:sc= -6.03! USER MOD Single : A 63 LYS NZ :NH3+ -114:sc= 0.519 (180deg=-4.45!) USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 71 MET CE :methyl -124:sc= -0.0131 (180deg=-0.0565) USER MOD Single : A 73 SER OG : rot -130:sc= -0.0801 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -164:sc= -0.0102 (180deg=-0.27) USER MOD Single : A 77 SER OG : rot 180:sc= 0.00818 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.00478 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.694 -19.877 3.189 1.00 0.00 N ATOM 2 CA MET A 1 -1.287 -19.549 3.554 1.00 0.00 C ATOM 3 C MET A 1 -0.495 -19.237 2.289 1.00 0.00 C ATOM 4 O MET A 1 0.359 -20.017 1.870 1.00 0.00 O ATOM 5 CB MET A 1 -0.661 -20.741 4.284 1.00 0.00 C ATOM 6 CG MET A 1 0.790 -20.414 4.665 1.00 0.00 C ATOM 7 SD MET A 1 1.183 -21.169 6.264 1.00 0.00 S ATOM 8 CE MET A 1 0.073 -20.162 7.283 1.00 0.00 C ATOM 0 H1 MET A 1 -3.236 -20.090 4.051 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.124 -19.065 2.701 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.705 -20.705 2.560 1.00 0.00 H new ATOM 0 HA MET A 1 -1.269 -18.678 4.210 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.238 -20.975 5.179 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.689 -21.625 3.647 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.470 -20.786 3.899 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.928 -19.334 4.717 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.534 -19.982 8.254 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.112 -19.209 6.787 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.871 -20.688 7.422 1.00 0.00 H new ATOM 20 N VAL A 2 -0.786 -18.088 1.685 1.00 0.00 N ATOM 21 CA VAL A 2 -0.099 -17.674 0.464 1.00 0.00 C ATOM 22 C VAL A 2 0.979 -16.647 0.783 1.00 0.00 C ATOM 23 O VAL A 2 0.734 -15.655 1.470 1.00 0.00 O ATOM 24 CB VAL A 2 -1.114 -17.113 -0.555 1.00 0.00 C ATOM 25 CG1 VAL A 2 -2.516 -17.098 0.059 1.00 0.00 C ATOM 26 CG2 VAL A 2 -0.742 -15.683 -0.980 1.00 0.00 C ATOM 0 H VAL A 2 -1.490 -17.429 2.019 1.00 0.00 H new ATOM 0 HA VAL A 2 0.385 -18.544 0.020 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.095 -17.758 -1.433 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -3.226 -16.701 -0.666 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -2.805 -18.113 0.332 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -2.517 -16.469 0.949 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -1.475 -15.315 -1.698 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -0.734 -15.034 -0.104 1.00 0.00 H new ATOM 0 HG23 VAL A 2 0.246 -15.685 -1.439 1.00 0.00 H new ATOM 36 N SER A 3 2.169 -16.899 0.262 1.00 0.00 N ATOM 37 CA SER A 3 3.303 -16.010 0.462 1.00 0.00 C ATOM 38 C SER A 3 3.492 -15.146 -0.776 1.00 0.00 C ATOM 39 O SER A 3 3.292 -15.608 -1.897 1.00 0.00 O ATOM 40 CB SER A 3 4.572 -16.826 0.721 1.00 0.00 C ATOM 41 OG SER A 3 5.690 -16.150 0.161 1.00 0.00 O ATOM 0 H SER A 3 2.376 -17.719 -0.308 1.00 0.00 H new ATOM 0 HA SER A 3 3.111 -15.373 1.326 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.716 -16.965 1.792 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.475 -17.819 0.281 1.00 0.00 H new ATOM 0 HG SER A 3 6.504 -16.670 0.327 1.00 0.00 H new ATOM 47 N LEU A 4 3.862 -13.890 -0.575 1.00 0.00 N ATOM 48 CA LEU A 4 4.055 -12.982 -1.700 1.00 0.00 C ATOM 49 C LEU A 4 5.318 -12.159 -1.528 1.00 0.00 C ATOM 50 O LEU A 4 5.986 -12.227 -0.497 1.00 0.00 O ATOM 51 CB LEU A 4 2.858 -12.039 -1.826 1.00 0.00 C ATOM 52 CG LEU A 4 1.585 -12.858 -2.031 1.00 0.00 C ATOM 53 CD1 LEU A 4 0.364 -11.946 -1.895 1.00 0.00 C ATOM 54 CD2 LEU A 4 1.596 -13.511 -3.424 1.00 0.00 C ATOM 0 H LEU A 4 4.033 -13.479 0.343 1.00 0.00 H new ATOM 0 HA LEU A 4 4.148 -13.586 -2.603 1.00 0.00 H new ATOM 0 HB2 LEU A 4 2.768 -11.426 -0.929 1.00 0.00 H new ATOM 0 HB3 LEU A 4 3.004 -11.358 -2.665 1.00 0.00 H new ATOM 0 HG LEU A 4 1.538 -13.642 -1.275 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -0.545 -12.530 -2.041 1.00 0.00 H new ATOM 0 HD12 LEU A 4 0.352 -11.500 -0.901 1.00 0.00 H new ATOM 0 HD13 LEU A 4 0.413 -11.158 -2.646 1.00 0.00 H new ATOM 0 HD21 LEU A 4 0.684 -14.093 -3.560 1.00 0.00 H new ATOM 0 HD22 LEU A 4 1.650 -12.736 -4.189 1.00 0.00 H new ATOM 0 HD23 LEU A 4 2.462 -14.168 -3.511 1.00 0.00 H new ATOM 66 N THR A 5 5.628 -11.376 -2.550 1.00 0.00 N ATOM 67 CA THR A 5 6.813 -10.520 -2.521 1.00 0.00 C ATOM 68 C THR A 5 6.469 -9.111 -2.980 1.00 0.00 C ATOM 69 O THR A 5 6.061 -8.902 -4.122 1.00 0.00 O ATOM 70 CB THR A 5 7.914 -11.085 -3.427 1.00 0.00 C ATOM 71 OG1 THR A 5 8.580 -12.144 -2.755 1.00 0.00 O ATOM 72 CG2 THR A 5 8.921 -9.976 -3.768 1.00 0.00 C ATOM 0 H THR A 5 5.081 -11.313 -3.408 1.00 0.00 H new ATOM 0 HA THR A 5 7.172 -10.489 -1.492 1.00 0.00 H new ATOM 0 HB THR A 5 7.469 -11.462 -4.348 1.00 0.00 H new ATOM 0 HG1 THR A 5 9.283 -12.508 -3.333 1.00 0.00 H new ATOM 0 HG21 THR A 5 9.703 -10.380 -4.412 1.00 0.00 H new ATOM 0 HG22 THR A 5 8.408 -9.165 -4.285 1.00 0.00 H new ATOM 0 HG23 THR A 5 9.368 -9.596 -2.850 1.00 0.00 H new ATOM 80 N PHE A 6 6.660 -8.145 -2.093 1.00 0.00 N ATOM 81 CA PHE A 6 6.387 -6.755 -2.428 1.00 0.00 C ATOM 82 C PHE A 6 7.677 -6.076 -2.878 1.00 0.00 C ATOM 83 O PHE A 6 8.605 -5.914 -2.084 1.00 0.00 O ATOM 84 CB PHE A 6 5.822 -6.028 -1.207 1.00 0.00 C ATOM 85 CG PHE A 6 4.408 -6.493 -0.942 1.00 0.00 C ATOM 86 CD1 PHE A 6 4.159 -7.829 -0.603 1.00 0.00 C ATOM 87 CD2 PHE A 6 3.347 -5.585 -1.027 1.00 0.00 C ATOM 88 CE1 PHE A 6 2.849 -8.254 -0.350 1.00 0.00 C ATOM 89 CE2 PHE A 6 2.038 -6.010 -0.774 1.00 0.00 C ATOM 90 CZ PHE A 6 1.789 -7.345 -0.434 1.00 0.00 C ATOM 0 H PHE A 6 7.000 -8.296 -1.143 1.00 0.00 H new ATOM 0 HA PHE A 6 5.656 -6.717 -3.236 1.00 0.00 H new ATOM 0 HB2 PHE A 6 6.447 -6.222 -0.336 1.00 0.00 H new ATOM 0 HB3 PHE A 6 5.835 -4.951 -1.376 1.00 0.00 H new ATOM 0 HD1 PHE A 6 4.977 -8.531 -0.537 1.00 0.00 H new ATOM 0 HD2 PHE A 6 3.539 -4.555 -1.288 1.00 0.00 H new ATOM 0 HE1 PHE A 6 2.657 -9.284 -0.090 1.00 0.00 H new ATOM 0 HE2 PHE A 6 1.220 -5.308 -0.841 1.00 0.00 H new ATOM 0 HZ PHE A 6 0.779 -7.673 -0.237 1.00 0.00 H new ATOM 100 N LYS A 7 7.747 -5.693 -4.153 1.00 0.00 N ATOM 101 CA LYS A 7 8.950 -5.050 -4.678 1.00 0.00 C ATOM 102 C LYS A 7 8.712 -3.565 -4.945 1.00 0.00 C ATOM 103 O LYS A 7 7.628 -3.161 -5.365 1.00 0.00 O ATOM 104 CB LYS A 7 9.410 -5.762 -5.962 1.00 0.00 C ATOM 105 CG LYS A 7 8.591 -5.279 -7.172 1.00 0.00 C ATOM 106 CD LYS A 7 9.341 -4.155 -7.902 1.00 0.00 C ATOM 107 CE LYS A 7 10.288 -4.755 -8.947 1.00 0.00 C ATOM 108 NZ LYS A 7 10.873 -6.021 -8.421 1.00 0.00 N ATOM 0 H LYS A 7 6.996 -5.815 -4.833 1.00 0.00 H new ATOM 0 HA LYS A 7 9.736 -5.130 -3.927 1.00 0.00 H new ATOM 0 HB2 LYS A 7 10.469 -5.568 -6.132 1.00 0.00 H new ATOM 0 HB3 LYS A 7 9.298 -6.840 -5.847 1.00 0.00 H new ATOM 0 HG2 LYS A 7 8.411 -6.110 -7.854 1.00 0.00 H new ATOM 0 HG3 LYS A 7 7.616 -4.921 -6.842 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.630 -3.485 -8.385 1.00 0.00 H new ATOM 0 HD3 LYS A 7 9.906 -3.558 -7.186 1.00 0.00 H new ATOM 0 HE2 LYS A 7 9.748 -4.949 -9.874 1.00 0.00 H new ATOM 0 HE3 LYS A 7 11.082 -4.046 -9.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 11.529 -6.419 -9.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 11.388 -5.825 -7.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 10.111 -6.704 -8.233 1.00 0.00 H new ATOM 122 N ASN A 8 9.739 -2.759 -4.689 1.00 0.00 N ATOM 123 CA ASN A 8 9.648 -1.315 -4.894 1.00 0.00 C ATOM 124 C ASN A 8 10.611 -0.866 -5.990 1.00 0.00 C ATOM 125 O ASN A 8 11.156 -1.687 -6.727 1.00 0.00 O ATOM 126 CB ASN A 8 9.980 -0.584 -3.593 1.00 0.00 C ATOM 127 CG ASN A 8 11.311 -1.082 -3.039 1.00 0.00 C ATOM 128 OD1 ASN A 8 12.082 -1.719 -3.756 1.00 0.00 O ATOM 129 ND2 ASN A 8 11.627 -0.830 -1.799 1.00 0.00 N ATOM 0 H ASN A 8 10.642 -3.080 -4.340 1.00 0.00 H new ATOM 0 HA ASN A 8 8.630 -1.074 -5.200 1.00 0.00 H new ATOM 0 HB2 ASN A 8 10.031 0.490 -3.773 1.00 0.00 H new ATOM 0 HB3 ASN A 8 9.188 -0.748 -2.862 1.00 0.00 H new ATOM 0 HD21 ASN A 8 12.515 -1.161 -1.422 1.00 0.00 H new ATOM 0 HD22 ASN A 8 10.986 -0.302 -1.207 1.00 0.00 H new ATOM 136 N PHE A 9 10.812 0.444 -6.093 1.00 0.00 N ATOM 137 CA PHE A 9 11.707 0.994 -7.106 1.00 0.00 C ATOM 138 C PHE A 9 13.161 0.913 -6.645 1.00 0.00 C ATOM 139 O PHE A 9 14.077 1.277 -7.382 1.00 0.00 O ATOM 140 CB PHE A 9 11.334 2.455 -7.388 1.00 0.00 C ATOM 141 CG PHE A 9 11.588 2.782 -8.841 1.00 0.00 C ATOM 142 CD1 PHE A 9 12.858 3.202 -9.253 1.00 0.00 C ATOM 143 CD2 PHE A 9 10.552 2.666 -9.775 1.00 0.00 C ATOM 144 CE1 PHE A 9 13.092 3.506 -10.601 1.00 0.00 C ATOM 145 CE2 PHE A 9 10.786 2.971 -11.122 1.00 0.00 C ATOM 146 CZ PHE A 9 12.056 3.391 -11.534 1.00 0.00 C ATOM 0 H PHE A 9 10.371 1.140 -5.492 1.00 0.00 H new ATOM 0 HA PHE A 9 11.600 0.407 -8.018 1.00 0.00 H new ATOM 0 HB2 PHE A 9 10.285 2.624 -7.147 1.00 0.00 H new ATOM 0 HB3 PHE A 9 11.919 3.118 -6.750 1.00 0.00 H new ATOM 0 HD1 PHE A 9 13.657 3.292 -8.532 1.00 0.00 H new ATOM 0 HD2 PHE A 9 9.572 2.341 -9.457 1.00 0.00 H new ATOM 0 HE1 PHE A 9 14.072 3.829 -10.919 1.00 0.00 H new ATOM 0 HE2 PHE A 9 9.986 2.882 -11.843 1.00 0.00 H new ATOM 0 HZ PHE A 9 12.236 3.626 -12.573 1.00 0.00 H new ATOM 156 N LYS A 10 13.365 0.426 -5.424 1.00 0.00 N ATOM 157 CA LYS A 10 14.711 0.292 -4.876 1.00 0.00 C ATOM 158 C LYS A 10 15.232 -1.114 -5.131 1.00 0.00 C ATOM 159 O LYS A 10 16.273 -1.512 -4.608 1.00 0.00 O ATOM 160 CB LYS A 10 14.696 0.576 -3.371 1.00 0.00 C ATOM 161 CG LYS A 10 14.502 2.083 -3.129 1.00 0.00 C ATOM 162 CD LYS A 10 13.595 2.305 -1.912 1.00 0.00 C ATOM 163 CE LYS A 10 12.128 2.171 -2.330 1.00 0.00 C ATOM 164 NZ LYS A 10 11.638 3.480 -2.849 1.00 0.00 N ATOM 0 H LYS A 10 12.620 0.119 -4.799 1.00 0.00 H new ATOM 0 HA LYS A 10 15.367 1.012 -5.365 1.00 0.00 H new ATOM 0 HB2 LYS A 10 13.893 0.015 -2.893 1.00 0.00 H new ATOM 0 HB3 LYS A 10 15.630 0.243 -2.919 1.00 0.00 H new ATOM 0 HG2 LYS A 10 15.468 2.561 -2.965 1.00 0.00 H new ATOM 0 HG3 LYS A 10 14.062 2.548 -4.011 1.00 0.00 H new ATOM 0 HD2 LYS A 10 13.829 1.578 -1.134 1.00 0.00 H new ATOM 0 HD3 LYS A 10 13.774 3.293 -1.489 1.00 0.00 H new ATOM 0 HE2 LYS A 10 12.026 1.403 -3.096 1.00 0.00 H new ATOM 0 HE3 LYS A 10 11.524 1.856 -1.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 10.642 3.390 -3.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 11.722 4.202 -2.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 12.208 3.763 -3.671 1.00 0.00 H new ATOM 178 N LYS A 11 14.490 -1.857 -5.943 1.00 0.00 N ATOM 179 CA LYS A 11 14.860 -3.226 -6.282 1.00 0.00 C ATOM 180 C LYS A 11 14.964 -4.091 -5.028 1.00 0.00 C ATOM 181 O LYS A 11 15.825 -4.966 -4.940 1.00 0.00 O ATOM 182 CB LYS A 11 16.199 -3.250 -7.029 1.00 0.00 C ATOM 183 CG LYS A 11 16.063 -2.533 -8.382 1.00 0.00 C ATOM 184 CD LYS A 11 16.348 -1.037 -8.216 1.00 0.00 C ATOM 185 CE LYS A 11 16.445 -0.380 -9.595 1.00 0.00 C ATOM 186 NZ LYS A 11 15.283 -0.803 -10.428 1.00 0.00 N ATOM 0 H LYS A 11 13.627 -1.534 -6.380 1.00 0.00 H new ATOM 0 HA LYS A 11 14.079 -3.631 -6.926 1.00 0.00 H new ATOM 0 HB2 LYS A 11 16.968 -2.765 -6.428 1.00 0.00 H new ATOM 0 HB3 LYS A 11 16.519 -4.280 -7.185 1.00 0.00 H new ATOM 0 HG2 LYS A 11 16.757 -2.965 -9.103 1.00 0.00 H new ATOM 0 HG3 LYS A 11 15.059 -2.678 -8.780 1.00 0.00 H new ATOM 0 HD2 LYS A 11 15.556 -0.568 -7.633 1.00 0.00 H new ATOM 0 HD3 LYS A 11 17.278 -0.892 -7.666 1.00 0.00 H new ATOM 0 HE2 LYS A 11 16.457 0.705 -9.493 1.00 0.00 H new ATOM 0 HE3 LYS A 11 17.378 -0.665 -10.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 15.066 -0.061 -11.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 15.515 -1.687 -10.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 14.456 -0.957 -9.817 1.00 0.00 H new ATOM 200 N GLU A 12 14.077 -3.846 -4.066 1.00 0.00 N ATOM 201 CA GLU A 12 14.074 -4.617 -2.823 1.00 0.00 C ATOM 202 C GLU A 12 12.744 -5.341 -2.652 1.00 0.00 C ATOM 203 O GLU A 12 11.681 -4.760 -2.860 1.00 0.00 O ATOM 204 CB GLU A 12 14.305 -3.695 -1.626 1.00 0.00 C ATOM 205 CG GLU A 12 15.507 -2.789 -1.899 1.00 0.00 C ATOM 206 CD GLU A 12 15.999 -2.171 -0.595 1.00 0.00 C ATOM 207 OE1 GLU A 12 16.390 -2.922 0.284 1.00 0.00 O ATOM 208 OE2 GLU A 12 15.979 -0.955 -0.494 1.00 0.00 O ATOM 0 H GLU A 12 13.356 -3.126 -4.121 1.00 0.00 H new ATOM 0 HA GLU A 12 14.879 -5.350 -2.874 1.00 0.00 H new ATOM 0 HB2 GLU A 12 13.416 -3.091 -1.443 1.00 0.00 H new ATOM 0 HB3 GLU A 12 14.480 -4.286 -0.727 1.00 0.00 H new ATOM 0 HG2 GLU A 12 16.308 -3.364 -2.364 1.00 0.00 H new ATOM 0 HG3 GLU A 12 15.229 -2.003 -2.602 1.00 0.00 H new ATOM 215 N LYS A 13 12.815 -6.614 -2.274 1.00 0.00 N ATOM 216 CA LYS A 13 11.614 -7.417 -2.079 1.00 0.00 C ATOM 217 C LYS A 13 11.333 -7.614 -0.593 1.00 0.00 C ATOM 218 O LYS A 13 12.239 -7.898 0.190 1.00 0.00 O ATOM 219 CB LYS A 13 11.786 -8.785 -2.752 1.00 0.00 C ATOM 220 CG LYS A 13 13.258 -9.217 -2.704 1.00 0.00 C ATOM 221 CD LYS A 13 13.979 -8.750 -3.974 1.00 0.00 C ATOM 222 CE LYS A 13 15.405 -9.312 -3.998 1.00 0.00 C ATOM 223 NZ LYS A 13 16.375 -8.213 -3.730 1.00 0.00 N ATOM 0 H LYS A 13 13.689 -7.110 -2.097 1.00 0.00 H new ATOM 0 HA LYS A 13 10.772 -6.891 -2.529 1.00 0.00 H new ATOM 0 HB2 LYS A 13 11.165 -9.527 -2.249 1.00 0.00 H new ATOM 0 HB3 LYS A 13 11.448 -8.735 -3.787 1.00 0.00 H new ATOM 0 HG2 LYS A 13 13.742 -8.794 -1.824 1.00 0.00 H new ATOM 0 HG3 LYS A 13 13.325 -10.301 -2.615 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.432 -9.082 -4.857 1.00 0.00 H new ATOM 0 HD3 LYS A 13 14.007 -7.661 -4.008 1.00 0.00 H new ATOM 0 HE2 LYS A 13 15.511 -10.096 -3.249 1.00 0.00 H new ATOM 0 HE3 LYS A 13 15.612 -9.767 -4.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 17.343 -8.593 -3.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 16.279 -7.479 -4.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 16.181 -7.799 -2.796 1.00 0.00 H new ATOM 237 N VAL A 14 10.066 -7.472 -0.220 1.00 0.00 N ATOM 238 CA VAL A 14 9.654 -7.645 1.169 1.00 0.00 C ATOM 239 C VAL A 14 8.641 -8.784 1.269 1.00 0.00 C ATOM 240 O VAL A 14 7.436 -8.565 1.132 1.00 0.00 O ATOM 241 CB VAL A 14 9.027 -6.350 1.694 1.00 0.00 C ATOM 242 CG1 VAL A 14 9.002 -6.376 3.223 1.00 0.00 C ATOM 243 CG2 VAL A 14 9.856 -5.154 1.217 1.00 0.00 C ATOM 0 H VAL A 14 9.306 -7.238 -0.859 1.00 0.00 H new ATOM 0 HA VAL A 14 10.530 -7.887 1.771 1.00 0.00 H new ATOM 0 HB VAL A 14 8.008 -6.261 1.317 1.00 0.00 H new ATOM 0 HG11 VAL A 14 8.556 -5.454 3.595 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.413 -7.228 3.563 1.00 0.00 H new ATOM 0 HG13 VAL A 14 10.020 -6.465 3.602 1.00 0.00 H new ATOM 0 HG21 VAL A 14 9.411 -4.231 1.590 1.00 0.00 H new ATOM 0 HG22 VAL A 14 10.875 -5.244 1.594 1.00 0.00 H new ATOM 0 HG23 VAL A 14 9.873 -5.134 0.127 1.00 0.00 H new ATOM 253 N PRO A 15 9.104 -9.989 1.486 1.00 0.00 N ATOM 254 CA PRO A 15 8.216 -11.184 1.590 1.00 0.00 C ATOM 255 C PRO A 15 7.077 -10.981 2.585 1.00 0.00 C ATOM 256 O PRO A 15 7.242 -10.321 3.611 1.00 0.00 O ATOM 257 CB PRO A 15 9.155 -12.302 2.053 1.00 0.00 C ATOM 258 CG PRO A 15 10.517 -11.876 1.614 1.00 0.00 C ATOM 259 CD PRO A 15 10.522 -10.348 1.654 1.00 0.00 C ATOM 0 HA PRO A 15 7.722 -11.402 0.643 1.00 0.00 H new ATOM 0 HB2 PRO A 15 9.112 -12.430 3.135 1.00 0.00 H new ATOM 0 HB3 PRO A 15 8.879 -13.258 1.608 1.00 0.00 H new ATOM 0 HG2 PRO A 15 11.283 -12.285 2.273 1.00 0.00 H new ATOM 0 HG3 PRO A 15 10.733 -12.239 0.609 1.00 0.00 H new ATOM 0 HD2 PRO A 15 10.921 -9.974 2.597 1.00 0.00 H new ATOM 0 HD3 PRO A 15 11.138 -9.929 0.858 1.00 0.00 H new ATOM 267 N LEU A 16 5.924 -11.563 2.271 1.00 0.00 N ATOM 268 CA LEU A 16 4.755 -11.451 3.139 1.00 0.00 C ATOM 269 C LEU A 16 3.871 -12.685 3.012 1.00 0.00 C ATOM 270 O LEU A 16 4.069 -13.518 2.131 1.00 0.00 O ATOM 271 CB LEU A 16 3.929 -10.216 2.762 1.00 0.00 C ATOM 272 CG LEU A 16 4.591 -8.943 3.294 1.00 0.00 C ATOM 273 CD1 LEU A 16 3.765 -7.720 2.861 1.00 0.00 C ATOM 274 CD2 LEU A 16 4.675 -8.993 4.828 1.00 0.00 C ATOM 0 H LEU A 16 5.773 -12.115 1.426 1.00 0.00 H new ATOM 0 HA LEU A 16 5.109 -11.361 4.166 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.830 -10.155 1.678 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.922 -10.307 3.170 1.00 0.00 H new ATOM 0 HG LEU A 16 5.599 -8.867 2.888 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.234 -6.812 3.239 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.719 -7.679 1.773 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.756 -7.801 3.264 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.148 -8.083 5.196 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.671 -9.075 5.245 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.266 -9.857 5.132 1.00 0.00 H new ATOM 286 N ASP A 17 2.882 -12.771 3.893 1.00 0.00 N ATOM 287 CA ASP A 17 1.935 -13.884 3.885 1.00 0.00 C ATOM 288 C ASP A 17 0.531 -13.356 4.151 1.00 0.00 C ATOM 289 O ASP A 17 0.326 -12.558 5.065 1.00 0.00 O ATOM 290 CB ASP A 17 2.304 -14.911 4.953 1.00 0.00 C ATOM 291 CG ASP A 17 3.742 -15.377 4.758 1.00 0.00 C ATOM 292 OD1 ASP A 17 4.628 -14.541 4.821 1.00 0.00 O ATOM 293 OD2 ASP A 17 3.937 -16.563 4.550 1.00 0.00 O ATOM 0 H ASP A 17 2.713 -12.082 4.625 1.00 0.00 H new ATOM 0 HA ASP A 17 1.970 -14.368 2.909 1.00 0.00 H new ATOM 0 HB2 ASP A 17 2.187 -14.474 5.945 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.627 -15.763 4.898 1.00 0.00 H new ATOM 298 N LEU A 18 -0.428 -13.794 3.346 1.00 0.00 N ATOM 299 CA LEU A 18 -1.807 -13.336 3.502 1.00 0.00 C ATOM 300 C LEU A 18 -2.801 -14.478 3.345 1.00 0.00 C ATOM 301 O LEU A 18 -2.423 -15.620 3.086 1.00 0.00 O ATOM 302 CB LEU A 18 -2.111 -12.267 2.452 1.00 0.00 C ATOM 303 CG LEU A 18 -1.349 -10.974 2.789 1.00 0.00 C ATOM 304 CD1 LEU A 18 -0.372 -10.638 1.661 1.00 0.00 C ATOM 305 CD2 LEU A 18 -2.347 -9.825 2.961 1.00 0.00 C ATOM 0 H LEU A 18 -0.282 -14.458 2.586 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.910 -12.927 4.507 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.822 -12.623 1.463 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.183 -12.070 2.420 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.792 -11.116 3.715 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.165 -9.721 1.905 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.340 -11.454 1.541 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.924 -10.498 0.731 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.808 -8.908 3.200 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.906 -9.687 2.035 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.038 -10.061 3.770 1.00 0.00 H new ATOM 317 N GLU A 19 -4.082 -14.146 3.499 1.00 0.00 N ATOM 318 CA GLU A 19 -5.150 -15.129 3.369 1.00 0.00 C ATOM 319 C GLU A 19 -6.161 -14.660 2.323 1.00 0.00 C ATOM 320 O GLU A 19 -6.340 -13.459 2.126 1.00 0.00 O ATOM 321 CB GLU A 19 -5.850 -15.314 4.719 1.00 0.00 C ATOM 322 CG GLU A 19 -4.907 -16.031 5.689 1.00 0.00 C ATOM 323 CD GLU A 19 -5.548 -16.119 7.069 1.00 0.00 C ATOM 324 OE1 GLU A 19 -6.053 -15.110 7.532 1.00 0.00 O ATOM 325 OE2 GLU A 19 -5.526 -17.196 7.643 1.00 0.00 O ATOM 0 H GLU A 19 -4.403 -13.202 3.714 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.724 -16.081 3.053 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -6.140 -14.345 5.126 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -6.765 -15.892 4.590 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.683 -17.031 5.319 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.960 -15.495 5.752 1.00 0.00 H new ATOM 332 N PRO A 20 -6.824 -15.569 1.658 1.00 0.00 N ATOM 333 CA PRO A 20 -7.834 -15.217 0.621 1.00 0.00 C ATOM 334 C PRO A 20 -8.835 -14.192 1.140 1.00 0.00 C ATOM 335 O PRO A 20 -9.413 -13.424 0.370 1.00 0.00 O ATOM 336 CB PRO A 20 -8.540 -16.546 0.300 1.00 0.00 C ATOM 337 CG PRO A 20 -7.996 -17.570 1.252 1.00 0.00 C ATOM 338 CD PRO A 20 -6.688 -17.020 1.814 1.00 0.00 C ATOM 0 HA PRO A 20 -7.371 -14.765 -0.256 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -9.619 -16.447 0.415 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -8.355 -16.842 -0.733 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -8.707 -17.764 2.055 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -7.826 -18.518 0.741 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -6.553 -17.299 2.859 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -5.826 -17.402 1.268 1.00 0.00 H new ATOM 346 N SER A 21 -9.038 -14.194 2.450 1.00 0.00 N ATOM 347 CA SER A 21 -9.981 -13.265 3.067 1.00 0.00 C ATOM 348 C SER A 21 -9.304 -11.942 3.402 1.00 0.00 C ATOM 349 O SER A 21 -9.946 -10.892 3.384 1.00 0.00 O ATOM 350 CB SER A 21 -10.567 -13.880 4.338 1.00 0.00 C ATOM 351 OG SER A 21 -10.982 -15.212 4.068 1.00 0.00 O ATOM 0 H SER A 21 -8.568 -14.821 3.103 1.00 0.00 H new ATOM 0 HA SER A 21 -10.782 -13.072 2.354 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.824 -13.873 5.135 1.00 0.00 H new ATOM 0 HB3 SER A 21 -11.413 -13.287 4.686 1.00 0.00 H new ATOM 0 HG SER A 21 -11.357 -15.609 4.882 1.00 0.00 H new ATOM 357 N ASN A 22 -8.007 -11.985 3.682 1.00 0.00 N ATOM 358 CA ASN A 22 -7.283 -10.763 3.985 1.00 0.00 C ATOM 359 C ASN A 22 -7.280 -9.887 2.748 1.00 0.00 C ATOM 360 O ASN A 22 -7.094 -10.378 1.634 1.00 0.00 O ATOM 361 CB ASN A 22 -5.846 -11.072 4.406 1.00 0.00 C ATOM 362 CG ASN A 22 -5.826 -11.657 5.814 1.00 0.00 C ATOM 363 OD1 ASN A 22 -5.024 -12.544 6.107 1.00 0.00 O ATOM 364 ND2 ASN A 22 -6.660 -11.208 6.710 1.00 0.00 N ATOM 0 H ASN A 22 -7.446 -12.837 3.705 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.772 -10.249 4.812 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.397 -11.776 3.705 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -5.246 -10.163 4.373 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -6.649 -11.592 7.655 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -7.324 -10.473 6.466 1.00 0.00 H new ATOM 371 N THR A 23 -7.516 -8.597 2.934 1.00 0.00 N ATOM 372 CA THR A 23 -7.566 -7.680 1.802 1.00 0.00 C ATOM 373 C THR A 23 -6.484 -6.618 1.883 1.00 0.00 C ATOM 374 O THR A 23 -5.867 -6.404 2.926 1.00 0.00 O ATOM 375 CB THR A 23 -8.946 -7.016 1.731 1.00 0.00 C ATOM 376 OG1 THR A 23 -8.805 -5.667 1.308 1.00 0.00 O ATOM 377 CG2 THR A 23 -9.601 -7.056 3.107 1.00 0.00 C ATOM 0 H THR A 23 -7.674 -8.164 3.844 1.00 0.00 H new ATOM 0 HA THR A 23 -7.389 -8.261 0.897 1.00 0.00 H new ATOM 0 HB THR A 23 -9.570 -7.553 1.017 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.064 -5.591 0.366 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.582 -6.584 3.057 1.00 0.00 H new ATOM 0 HG22 THR A 23 -9.713 -8.092 3.427 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.977 -6.521 3.823 1.00 0.00 H new ATOM 385 N ILE A 24 -6.270 -5.962 0.752 1.00 0.00 N ATOM 386 CA ILE A 24 -5.278 -4.916 0.634 1.00 0.00 C ATOM 387 C ILE A 24 -5.165 -4.104 1.912 1.00 0.00 C ATOM 388 O ILE A 24 -4.068 -3.782 2.349 1.00 0.00 O ATOM 389 CB ILE A 24 -5.674 -4.003 -0.525 1.00 0.00 C ATOM 390 CG1 ILE A 24 -6.004 -4.838 -1.771 1.00 0.00 C ATOM 391 CG2 ILE A 24 -4.538 -3.043 -0.836 1.00 0.00 C ATOM 392 CD1 ILE A 24 -4.997 -5.979 -1.932 1.00 0.00 C ATOM 0 H ILE A 24 -6.784 -6.145 -0.110 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.306 -5.373 0.450 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.558 -3.434 -0.238 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -7.012 -5.244 -1.688 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.988 -4.203 -2.657 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.826 -2.394 -1.663 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.324 -2.436 0.044 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.648 -3.609 -1.112 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.245 -6.561 -2.820 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.994 -5.567 -2.037 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.034 -6.623 -1.054 1.00 0.00 H new ATOM 404 N LEU A 25 -6.292 -3.775 2.513 1.00 0.00 N ATOM 405 CA LEU A 25 -6.272 -3.005 3.742 1.00 0.00 C ATOM 406 C LEU A 25 -5.234 -3.587 4.694 1.00 0.00 C ATOM 407 O LEU A 25 -4.444 -2.862 5.296 1.00 0.00 O ATOM 408 CB LEU A 25 -7.663 -3.047 4.382 1.00 0.00 C ATOM 409 CG LEU A 25 -7.674 -2.334 5.743 1.00 0.00 C ATOM 410 CD1 LEU A 25 -6.993 -3.193 6.822 1.00 0.00 C ATOM 411 CD2 LEU A 25 -6.969 -0.973 5.637 1.00 0.00 C ATOM 0 H LEU A 25 -7.222 -4.025 2.176 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.007 -1.970 3.527 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -8.386 -2.576 3.716 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.976 -4.083 4.510 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.713 -2.178 6.033 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.015 -2.665 7.775 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.522 -4.141 6.920 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.958 -3.383 6.536 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.984 -0.479 6.608 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.936 -1.122 5.322 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -7.486 -0.352 4.906 1.00 0.00 H new ATOM 423 N GLU A 26 -5.260 -4.907 4.829 1.00 0.00 N ATOM 424 CA GLU A 26 -4.337 -5.596 5.723 1.00 0.00 C ATOM 425 C GLU A 26 -2.922 -5.684 5.150 1.00 0.00 C ATOM 426 O GLU A 26 -1.954 -5.436 5.869 1.00 0.00 O ATOM 427 CB GLU A 26 -4.854 -7.004 6.022 1.00 0.00 C ATOM 428 CG GLU A 26 -6.182 -6.912 6.777 1.00 0.00 C ATOM 429 CD GLU A 26 -6.581 -8.289 7.297 1.00 0.00 C ATOM 430 OE1 GLU A 26 -5.691 -9.073 7.584 1.00 0.00 O ATOM 431 OE2 GLU A 26 -7.771 -8.539 7.400 1.00 0.00 O ATOM 0 H GLU A 26 -5.907 -5.520 4.333 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.284 -5.010 6.641 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.990 -7.558 5.093 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.123 -7.552 6.616 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.090 -6.213 7.608 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.959 -6.524 6.118 1.00 0.00 H new ATOM 438 N THR A 27 -2.785 -6.033 3.872 1.00 0.00 N ATOM 439 CA THR A 27 -1.453 -6.127 3.292 1.00 0.00 C ATOM 440 C THR A 27 -0.780 -4.764 3.387 1.00 0.00 C ATOM 441 O THR A 27 0.394 -4.654 3.741 1.00 0.00 O ATOM 442 CB THR A 27 -1.544 -6.623 1.838 1.00 0.00 C ATOM 443 OG1 THR A 27 -0.682 -7.738 1.672 1.00 0.00 O ATOM 444 CG2 THR A 27 -1.135 -5.521 0.862 1.00 0.00 C ATOM 0 H THR A 27 -3.555 -6.249 3.238 1.00 0.00 H new ATOM 0 HA THR A 27 -0.849 -6.850 3.841 1.00 0.00 H new ATOM 0 HB THR A 27 -2.575 -6.908 1.629 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.250 -7.442 1.729 1.00 0.00 H new ATOM 0 HG21 THR A 27 -1.207 -5.894 -0.159 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.797 -4.664 0.983 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.108 -5.217 1.066 1.00 0.00 H new ATOM 452 N LYS A 28 -1.551 -3.731 3.085 1.00 0.00 N ATOM 453 CA LYS A 28 -1.059 -2.364 3.149 1.00 0.00 C ATOM 454 C LYS A 28 -0.732 -1.977 4.590 1.00 0.00 C ATOM 455 O LYS A 28 0.268 -1.306 4.842 1.00 0.00 O ATOM 456 CB LYS A 28 -2.112 -1.406 2.597 1.00 0.00 C ATOM 457 CG LYS A 28 -1.987 -1.325 1.074 1.00 0.00 C ATOM 458 CD LYS A 28 -2.708 -0.073 0.594 1.00 0.00 C ATOM 459 CE LYS A 28 -2.645 0.013 -0.932 1.00 0.00 C ATOM 460 NZ LYS A 28 -3.163 1.337 -1.374 1.00 0.00 N ATOM 0 H LYS A 28 -2.524 -3.814 2.792 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.151 -2.298 2.549 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.109 -1.749 2.872 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.983 -0.416 3.035 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.937 -1.293 0.782 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.420 -2.212 0.611 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.747 -0.093 0.923 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.251 0.812 1.036 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.618 -0.120 -1.273 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.235 -0.788 -1.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.534 1.259 -2.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.924 1.643 -0.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.393 2.035 -1.354 1.00 0.00 H new ATOM 474 N THR A 29 -1.578 -2.394 5.535 1.00 0.00 N ATOM 475 CA THR A 29 -1.349 -2.065 6.934 1.00 0.00 C ATOM 476 C THR A 29 -0.073 -2.731 7.430 1.00 0.00 C ATOM 477 O THR A 29 0.796 -2.077 8.006 1.00 0.00 O ATOM 478 CB THR A 29 -2.552 -2.515 7.771 1.00 0.00 C ATOM 479 OG1 THR A 29 -3.531 -1.486 7.776 1.00 0.00 O ATOM 480 CG2 THR A 29 -2.116 -2.810 9.205 1.00 0.00 C ATOM 0 H THR A 29 -2.414 -2.951 5.356 1.00 0.00 H new ATOM 0 HA THR A 29 -1.232 -0.986 7.035 1.00 0.00 H new ATOM 0 HB THR A 29 -2.971 -3.422 7.335 1.00 0.00 H new ATOM 0 HG1 THR A 29 -4.132 -1.602 7.010 1.00 0.00 H new ATOM 0 HG21 THR A 29 -2.979 -3.129 9.789 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.367 -3.602 9.202 1.00 0.00 H new ATOM 0 HG23 THR A 29 -1.690 -1.910 9.648 1.00 0.00 H new ATOM 488 N LYS A 30 0.039 -4.030 7.196 1.00 0.00 N ATOM 489 CA LYS A 30 1.219 -4.761 7.616 1.00 0.00 C ATOM 490 C LYS A 30 2.445 -4.228 6.887 1.00 0.00 C ATOM 491 O LYS A 30 3.390 -3.748 7.512 1.00 0.00 O ATOM 492 CB LYS A 30 1.038 -6.248 7.317 1.00 0.00 C ATOM 493 CG LYS A 30 2.224 -7.039 7.885 1.00 0.00 C ATOM 494 CD LYS A 30 2.444 -8.302 7.053 1.00 0.00 C ATOM 495 CE LYS A 30 1.374 -9.340 7.402 1.00 0.00 C ATOM 496 NZ LYS A 30 1.448 -10.472 6.435 1.00 0.00 N ATOM 0 H LYS A 30 -0.667 -4.593 6.722 1.00 0.00 H new ATOM 0 HA LYS A 30 1.360 -4.628 8.689 1.00 0.00 H new ATOM 0 HB2 LYS A 30 0.107 -6.606 7.755 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.965 -6.406 6.241 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.123 -6.423 7.874 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.032 -7.305 8.924 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.399 -8.062 5.991 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.437 -8.709 7.247 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.523 -9.705 8.418 1.00 0.00 H new ATOM 0 HE3 LYS A 30 0.385 -8.884 7.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 0.522 -10.942 6.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 1.709 -10.110 5.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.165 -11.155 6.754 1.00 0.00 H new ATOM 510 N LEU A 31 2.422 -4.309 5.559 1.00 0.00 N ATOM 511 CA LEU A 31 3.535 -3.822 4.758 1.00 0.00 C ATOM 512 C LEU A 31 4.004 -2.469 5.279 1.00 0.00 C ATOM 513 O LEU A 31 5.151 -2.077 5.072 1.00 0.00 O ATOM 514 CB LEU A 31 3.102 -3.693 3.296 1.00 0.00 C ATOM 515 CG LEU A 31 4.284 -3.234 2.433 1.00 0.00 C ATOM 516 CD1 LEU A 31 5.407 -4.276 2.495 1.00 0.00 C ATOM 517 CD2 LEU A 31 3.812 -3.065 0.985 1.00 0.00 C ATOM 0 H LEU A 31 1.651 -4.704 5.021 1.00 0.00 H new ATOM 0 HA LEU A 31 4.359 -4.532 4.828 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.728 -4.651 2.934 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.283 -2.979 3.213 1.00 0.00 H new ATOM 0 HG LEU A 31 4.663 -2.283 2.807 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.244 -3.945 1.880 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.738 -4.393 3.527 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.038 -5.231 2.122 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.648 -2.739 0.366 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.434 -4.017 0.612 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.018 -2.319 0.946 1.00 0.00 H new ATOM 529 N ALA A 32 3.109 -1.767 5.965 1.00 0.00 N ATOM 530 CA ALA A 32 3.445 -0.460 6.523 1.00 0.00 C ATOM 531 C ALA A 32 4.216 -0.640 7.826 1.00 0.00 C ATOM 532 O ALA A 32 5.205 0.045 8.079 1.00 0.00 O ATOM 533 CB ALA A 32 2.169 0.359 6.777 1.00 0.00 C ATOM 0 H ALA A 32 2.154 -2.076 6.148 1.00 0.00 H new ATOM 0 HA ALA A 32 4.067 0.079 5.808 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.437 1.330 7.193 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.635 0.501 5.838 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.529 -0.173 7.481 1.00 0.00 H new ATOM 539 N GLN A 33 3.752 -1.577 8.642 1.00 0.00 N ATOM 540 CA GLN A 33 4.396 -1.860 9.919 1.00 0.00 C ATOM 541 C GLN A 33 5.628 -2.733 9.709 1.00 0.00 C ATOM 542 O GLN A 33 6.466 -2.870 10.600 1.00 0.00 O ATOM 543 CB GLN A 33 3.416 -2.564 10.862 1.00 0.00 C ATOM 544 CG GLN A 33 2.413 -1.546 11.411 1.00 0.00 C ATOM 545 CD GLN A 33 3.084 -0.668 12.463 1.00 0.00 C ATOM 546 OE1 GLN A 33 2.994 -0.950 13.656 1.00 0.00 O ATOM 547 NE2 GLN A 33 3.754 0.389 12.089 1.00 0.00 N ATOM 0 H GLN A 33 2.934 -2.153 8.444 1.00 0.00 H new ATOM 0 HA GLN A 33 4.704 -0.915 10.367 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.891 -3.358 10.331 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.959 -3.034 11.682 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.029 -0.927 10.600 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.559 -2.064 11.848 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.828 0.622 11.099 1.00 0.00 H new ATOM 0 HE22 GLN A 33 4.203 0.981 12.787 1.00 0.00 H new ATOM 556 N SER A 34 5.729 -3.316 8.522 1.00 0.00 N ATOM 557 CA SER A 34 6.862 -4.170 8.195 1.00 0.00 C ATOM 558 C SER A 34 8.075 -3.306 7.905 1.00 0.00 C ATOM 559 O SER A 34 9.154 -3.517 8.460 1.00 0.00 O ATOM 560 CB SER A 34 6.539 -5.032 6.973 1.00 0.00 C ATOM 561 OG SER A 34 7.561 -6.004 6.799 1.00 0.00 O ATOM 0 H SER A 34 5.044 -3.214 7.773 1.00 0.00 H new ATOM 0 HA SER A 34 7.072 -4.825 9.041 1.00 0.00 H new ATOM 0 HB2 SER A 34 5.574 -5.522 7.104 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.461 -4.407 6.083 1.00 0.00 H new ATOM 0 HG SER A 34 7.355 -6.558 6.018 1.00 0.00 H new ATOM 567 N ILE A 35 7.880 -2.313 7.045 1.00 0.00 N ATOM 568 CA ILE A 35 8.944 -1.398 6.698 1.00 0.00 C ATOM 569 C ILE A 35 8.854 -0.165 7.586 1.00 0.00 C ATOM 570 O ILE A 35 9.779 0.645 7.643 1.00 0.00 O ATOM 571 CB ILE A 35 8.832 -1.012 5.224 1.00 0.00 C ATOM 572 CG1 ILE A 35 7.571 -0.167 4.998 1.00 0.00 C ATOM 573 CG2 ILE A 35 8.758 -2.286 4.375 1.00 0.00 C ATOM 574 CD1 ILE A 35 7.169 -0.220 3.518 1.00 0.00 C ATOM 0 H ILE A 35 6.992 -2.127 6.579 1.00 0.00 H new ATOM 0 HA ILE A 35 9.911 -1.876 6.855 1.00 0.00 H new ATOM 0 HB ILE A 35 9.705 -0.427 4.935 1.00 0.00 H new ATOM 0 HG12 ILE A 35 6.756 -0.539 5.619 1.00 0.00 H new ATOM 0 HG13 ILE A 35 7.755 0.865 5.298 1.00 0.00 H new ATOM 0 HG21 ILE A 35 8.678 -2.017 3.322 1.00 0.00 H new ATOM 0 HG22 ILE A 35 9.659 -2.880 4.530 1.00 0.00 H new ATOM 0 HG23 ILE A 35 7.885 -2.868 4.668 1.00 0.00 H new ATOM 0 HD11 ILE A 35 6.273 0.381 3.363 1.00 0.00 H new ATOM 0 HD12 ILE A 35 7.981 0.173 2.906 1.00 0.00 H new ATOM 0 HD13 ILE A 35 6.967 -1.252 3.233 1.00 0.00 H new ATOM 586 N SER A 36 7.730 -0.047 8.300 1.00 0.00 N ATOM 587 CA SER A 36 7.523 1.075 9.217 1.00 0.00 C ATOM 588 C SER A 36 7.001 2.309 8.489 1.00 0.00 C ATOM 589 O SER A 36 7.242 3.437 8.918 1.00 0.00 O ATOM 590 CB SER A 36 8.833 1.423 9.930 1.00 0.00 C ATOM 591 OG SER A 36 9.530 2.408 9.179 1.00 0.00 O ATOM 0 H SER A 36 6.956 -0.710 8.261 1.00 0.00 H new ATOM 0 HA SER A 36 6.775 0.766 9.947 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.626 1.794 10.934 1.00 0.00 H new ATOM 0 HB3 SER A 36 9.449 0.530 10.040 1.00 0.00 H new ATOM 0 HG SER A 36 10.154 1.969 8.563 1.00 0.00 H new ATOM 597 N CYS A 37 6.270 2.095 7.400 1.00 0.00 N ATOM 598 CA CYS A 37 5.705 3.208 6.641 1.00 0.00 C ATOM 599 C CYS A 37 4.198 3.259 6.845 1.00 0.00 C ATOM 600 O CYS A 37 3.642 2.461 7.598 1.00 0.00 O ATOM 601 CB CYS A 37 6.013 3.048 5.152 1.00 0.00 C ATOM 602 SG CYS A 37 7.745 3.472 4.843 1.00 0.00 S ATOM 0 H CYS A 37 6.056 1.171 7.025 1.00 0.00 H new ATOM 0 HA CYS A 37 6.153 4.136 6.998 1.00 0.00 H new ATOM 0 HB2 CYS A 37 5.817 2.023 4.838 1.00 0.00 H new ATOM 0 HB3 CYS A 37 5.360 3.692 4.564 1.00 0.00 H new ATOM 0 HG CYS A 37 8.504 2.834 5.683 1.00 0.00 H new ATOM 608 N GLU A 38 3.538 4.196 6.174 1.00 0.00 N ATOM 609 CA GLU A 38 2.092 4.325 6.299 1.00 0.00 C ATOM 610 C GLU A 38 1.395 3.693 5.097 1.00 0.00 C ATOM 611 O GLU A 38 1.902 3.729 3.976 1.00 0.00 O ATOM 612 CB GLU A 38 1.701 5.804 6.431 1.00 0.00 C ATOM 613 CG GLU A 38 1.315 6.370 5.066 1.00 0.00 C ATOM 614 CD GLU A 38 1.240 7.891 5.132 1.00 0.00 C ATOM 615 OE1 GLU A 38 0.221 8.396 5.576 1.00 0.00 O ATOM 616 OE2 GLU A 38 2.202 8.530 4.739 1.00 0.00 O ATOM 0 H GLU A 38 3.975 4.870 5.545 1.00 0.00 H new ATOM 0 HA GLU A 38 1.771 3.799 7.198 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.867 5.907 7.125 1.00 0.00 H new ATOM 0 HB3 GLU A 38 2.533 6.372 6.847 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.047 6.066 4.318 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.353 5.964 4.754 1.00 0.00 H new ATOM 623 N GLU A 39 0.230 3.118 5.349 1.00 0.00 N ATOM 624 CA GLU A 39 -0.555 2.475 4.304 1.00 0.00 C ATOM 625 C GLU A 39 -1.281 3.521 3.462 1.00 0.00 C ATOM 626 O GLU A 39 -1.709 3.248 2.341 1.00 0.00 O ATOM 627 CB GLU A 39 -1.573 1.515 4.935 1.00 0.00 C ATOM 628 CG GLU A 39 -2.020 2.050 6.303 1.00 0.00 C ATOM 629 CD GLU A 39 -1.089 1.551 7.403 1.00 0.00 C ATOM 630 OE1 GLU A 39 0.099 1.809 7.312 1.00 0.00 O ATOM 631 OE2 GLU A 39 -1.580 0.920 8.325 1.00 0.00 O ATOM 0 H GLU A 39 -0.196 3.083 6.275 1.00 0.00 H new ATOM 0 HA GLU A 39 0.118 1.913 3.657 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.436 1.404 4.279 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -1.130 0.526 5.049 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.025 3.140 6.290 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -3.041 1.729 6.509 1.00 0.00 H new ATOM 638 N SER A 40 -1.435 4.708 4.032 1.00 0.00 N ATOM 639 CA SER A 40 -2.137 5.799 3.356 1.00 0.00 C ATOM 640 C SER A 40 -1.295 6.429 2.246 1.00 0.00 C ATOM 641 O SER A 40 -1.774 7.310 1.532 1.00 0.00 O ATOM 642 CB SER A 40 -2.524 6.873 4.372 1.00 0.00 C ATOM 643 OG SER A 40 -2.975 8.031 3.679 1.00 0.00 O ATOM 0 H SER A 40 -1.085 4.944 4.961 1.00 0.00 H new ATOM 0 HA SER A 40 -3.030 5.375 2.896 1.00 0.00 H new ATOM 0 HB2 SER A 40 -3.308 6.501 5.032 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.669 7.121 5.001 1.00 0.00 H new ATOM 0 HG SER A 40 -2.951 7.864 2.714 1.00 0.00 H new ATOM 649 N GLN A 41 -0.053 5.977 2.088 1.00 0.00 N ATOM 650 CA GLN A 41 0.815 6.515 1.042 1.00 0.00 C ATOM 651 C GLN A 41 1.205 5.397 0.090 1.00 0.00 C ATOM 652 O GLN A 41 1.433 5.615 -1.100 1.00 0.00 O ATOM 653 CB GLN A 41 2.065 7.145 1.663 1.00 0.00 C ATOM 654 CG GLN A 41 3.123 6.068 1.878 1.00 0.00 C ATOM 655 CD GLN A 41 4.193 6.563 2.843 1.00 0.00 C ATOM 656 OE1 GLN A 41 4.895 5.762 3.460 1.00 0.00 O ATOM 657 NE2 GLN A 41 4.360 7.844 3.011 1.00 0.00 N ATOM 0 H GLN A 41 0.371 5.249 2.663 1.00 0.00 H new ATOM 0 HA GLN A 41 0.280 7.288 0.490 1.00 0.00 H new ATOM 0 HB2 GLN A 41 2.454 7.927 1.011 1.00 0.00 H new ATOM 0 HB3 GLN A 41 1.814 7.618 2.612 1.00 0.00 H new ATOM 0 HG2 GLN A 41 2.657 5.165 2.273 1.00 0.00 H new ATOM 0 HG3 GLN A 41 3.579 5.801 0.925 1.00 0.00 H new ATOM 0 HE21 GLN A 41 3.777 8.506 2.499 1.00 0.00 H new ATOM 0 HE22 GLN A 41 5.074 8.185 3.655 1.00 0.00 H new ATOM 666 N ILE A 42 1.279 4.200 0.644 1.00 0.00 N ATOM 667 CA ILE A 42 1.637 3.022 -0.108 1.00 0.00 C ATOM 668 C ILE A 42 0.624 2.746 -1.212 1.00 0.00 C ATOM 669 O ILE A 42 -0.568 3.019 -1.070 1.00 0.00 O ATOM 670 CB ILE A 42 1.711 1.847 0.874 1.00 0.00 C ATOM 671 CG1 ILE A 42 3.170 1.490 1.138 1.00 0.00 C ATOM 672 CG2 ILE A 42 0.972 0.624 0.333 1.00 0.00 C ATOM 673 CD1 ILE A 42 3.245 0.605 2.374 1.00 0.00 C ATOM 0 H ILE A 42 1.091 4.022 1.631 1.00 0.00 H new ATOM 0 HA ILE A 42 2.601 3.168 -0.595 1.00 0.00 H new ATOM 0 HB ILE A 42 1.230 2.151 1.804 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.593 0.972 0.277 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.759 2.395 1.286 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.043 -0.192 1.052 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.076 0.875 0.171 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.421 0.315 -0.611 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.285 0.344 2.572 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.836 1.141 3.231 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.668 -0.304 2.206 1.00 0.00 H new ATOM 685 N LYS A 43 1.121 2.181 -2.300 1.00 0.00 N ATOM 686 CA LYS A 43 0.285 1.832 -3.439 1.00 0.00 C ATOM 687 C LYS A 43 0.562 0.390 -3.841 1.00 0.00 C ATOM 688 O LYS A 43 1.700 0.031 -4.141 1.00 0.00 O ATOM 689 CB LYS A 43 0.580 2.764 -4.617 1.00 0.00 C ATOM 690 CG LYS A 43 0.396 4.224 -4.179 1.00 0.00 C ATOM 691 CD LYS A 43 -0.142 5.047 -5.351 1.00 0.00 C ATOM 692 CE LYS A 43 -0.225 6.520 -4.947 1.00 0.00 C ATOM 693 NZ LYS A 43 -0.519 7.350 -6.149 1.00 0.00 N ATOM 0 H LYS A 43 2.108 1.952 -2.419 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.764 1.941 -3.162 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.598 2.606 -4.972 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.087 2.537 -5.449 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.294 4.277 -3.337 1.00 0.00 H new ATOM 0 HG3 LYS A 43 1.347 4.635 -3.839 1.00 0.00 H new ATOM 0 HD2 LYS A 43 0.509 4.933 -6.218 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.127 4.683 -5.642 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.004 6.659 -4.197 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.714 6.837 -4.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.575 8.351 -5.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.239 7.226 -6.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.426 7.053 -6.563 1.00 0.00 H new ATOM 707 N LEU A 44 -0.475 -0.440 -3.827 1.00 0.00 N ATOM 708 CA LEU A 44 -0.313 -1.848 -4.179 1.00 0.00 C ATOM 709 C LEU A 44 -0.643 -2.074 -5.651 1.00 0.00 C ATOM 710 O LEU A 44 -1.804 -2.013 -6.057 1.00 0.00 O ATOM 711 CB LEU A 44 -1.226 -2.709 -3.291 1.00 0.00 C ATOM 712 CG LEU A 44 -0.380 -3.569 -2.341 1.00 0.00 C ATOM 713 CD1 LEU A 44 0.498 -4.532 -3.157 1.00 0.00 C ATOM 714 CD2 LEU A 44 0.504 -2.663 -1.463 1.00 0.00 C ATOM 0 H LEU A 44 -1.426 -0.168 -3.579 1.00 0.00 H new ATOM 0 HA LEU A 44 0.725 -2.136 -4.014 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.895 -2.069 -2.716 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.852 -3.349 -3.913 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.040 -4.149 -1.697 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.097 -5.141 -2.480 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.137 -5.180 -3.761 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.157 -3.959 -3.809 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.102 -3.279 -0.791 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.164 -2.073 -2.098 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.128 -1.995 -0.877 1.00 0.00 H new ATOM 726 N ILE A 45 0.397 -2.314 -6.448 1.00 0.00 N ATOM 727 CA ILE A 45 0.234 -2.525 -7.880 1.00 0.00 C ATOM 728 C ILE A 45 0.232 -4.010 -8.211 1.00 0.00 C ATOM 729 O ILE A 45 1.199 -4.722 -7.940 1.00 0.00 O ATOM 730 CB ILE A 45 1.397 -1.870 -8.633 1.00 0.00 C ATOM 731 CG1 ILE A 45 1.443 -0.341 -8.425 1.00 0.00 C ATOM 732 CG2 ILE A 45 1.253 -2.161 -10.128 1.00 0.00 C ATOM 733 CD1 ILE A 45 0.620 0.098 -7.220 1.00 0.00 C ATOM 0 H ILE A 45 1.362 -2.367 -6.123 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.716 -2.084 -8.180 1.00 0.00 H new ATOM 0 HB ILE A 45 2.323 -2.289 -8.238 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.478 -0.025 -8.292 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.070 0.158 -9.320 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.077 -1.698 -10.670 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.271 -3.238 -10.292 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.308 -1.755 -10.488 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.682 1.181 -7.112 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.420 -0.194 -7.364 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.009 -0.379 -6.320 1.00 0.00 H new ATOM 745 N TYR A 46 -0.853 -4.461 -8.827 1.00 0.00 N ATOM 746 CA TYR A 46 -0.972 -5.856 -9.230 1.00 0.00 C ATOM 747 C TYR A 46 -0.990 -5.933 -10.748 1.00 0.00 C ATOM 748 O TYR A 46 -1.965 -5.545 -11.390 1.00 0.00 O ATOM 749 CB TYR A 46 -2.257 -6.464 -8.664 1.00 0.00 C ATOM 750 CG TYR A 46 -2.347 -7.923 -9.051 1.00 0.00 C ATOM 751 CD1 TYR A 46 -1.390 -8.833 -8.583 1.00 0.00 C ATOM 752 CD2 TYR A 46 -3.392 -8.366 -9.872 1.00 0.00 C ATOM 753 CE1 TYR A 46 -1.478 -10.185 -8.937 1.00 0.00 C ATOM 754 CE2 TYR A 46 -3.479 -9.718 -10.226 1.00 0.00 C ATOM 755 CZ TYR A 46 -2.522 -10.628 -9.759 1.00 0.00 C ATOM 756 OH TYR A 46 -2.610 -11.960 -10.109 1.00 0.00 O ATOM 0 H TYR A 46 -1.661 -3.883 -9.058 1.00 0.00 H new ATOM 0 HA TYR A 46 -0.123 -6.418 -8.842 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -2.270 -6.365 -7.579 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.124 -5.923 -9.044 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -0.585 -8.492 -7.949 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.130 -7.665 -10.232 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -0.740 -10.887 -8.576 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.284 -10.059 -10.859 1.00 0.00 H new ATOM 0 HH TYR A 46 -3.393 -12.097 -10.682 1.00 0.00 H new ATOM 766 N SER A 47 0.102 -6.420 -11.317 1.00 0.00 N ATOM 767 CA SER A 47 0.210 -6.527 -12.762 1.00 0.00 C ATOM 768 C SER A 47 0.047 -5.156 -13.410 1.00 0.00 C ATOM 769 O SER A 47 -0.508 -5.040 -14.503 1.00 0.00 O ATOM 770 CB SER A 47 -0.853 -7.483 -13.301 1.00 0.00 C ATOM 771 OG SER A 47 -0.913 -8.636 -12.471 1.00 0.00 O ATOM 0 H SER A 47 0.921 -6.745 -10.803 1.00 0.00 H new ATOM 0 HA SER A 47 1.198 -6.918 -13.006 1.00 0.00 H new ATOM 0 HB2 SER A 47 -1.824 -6.988 -13.326 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.615 -7.770 -14.325 1.00 0.00 H new ATOM 0 HG SER A 47 -1.632 -8.529 -11.813 1.00 0.00 H new ATOM 777 N GLY A 48 0.535 -4.120 -12.732 1.00 0.00 N ATOM 778 CA GLY A 48 0.434 -2.765 -13.262 1.00 0.00 C ATOM 779 C GLY A 48 -0.947 -2.183 -12.994 1.00 0.00 C ATOM 780 O GLY A 48 -1.442 -1.361 -13.766 1.00 0.00 O ATOM 0 H GLY A 48 0.998 -4.192 -11.826 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.195 -2.133 -12.805 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.629 -2.773 -14.334 1.00 0.00 H new ATOM 784 N LYS A 49 -1.571 -2.619 -11.902 1.00 0.00 N ATOM 785 CA LYS A 49 -2.906 -2.133 -11.552 1.00 0.00 C ATOM 786 C LYS A 49 -2.940 -1.637 -10.113 1.00 0.00 C ATOM 787 O LYS A 49 -2.644 -2.383 -9.183 1.00 0.00 O ATOM 788 CB LYS A 49 -3.930 -3.259 -11.733 1.00 0.00 C ATOM 789 CG LYS A 49 -5.357 -2.701 -11.613 1.00 0.00 C ATOM 790 CD LYS A 49 -5.762 -1.962 -12.898 1.00 0.00 C ATOM 791 CE LYS A 49 -5.699 -2.913 -14.100 1.00 0.00 C ATOM 792 NZ LYS A 49 -6.759 -2.542 -15.080 1.00 0.00 N ATOM 0 H LYS A 49 -1.181 -3.300 -11.250 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.155 -1.302 -12.212 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.796 -3.729 -12.707 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.769 -4.032 -10.981 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -6.056 -3.515 -11.420 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.417 -2.022 -10.763 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.771 -1.563 -12.794 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -5.099 -1.113 -13.062 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -4.717 -2.858 -14.571 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -5.837 -3.943 -13.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -6.718 -3.186 -15.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -7.692 -2.616 -14.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -6.607 -1.565 -15.402 1.00 0.00 H new ATOM 806 N VAL A 50 -3.307 -0.373 -9.942 1.00 0.00 N ATOM 807 CA VAL A 50 -3.377 0.220 -8.613 1.00 0.00 C ATOM 808 C VAL A 50 -4.548 -0.358 -7.821 1.00 0.00 C ATOM 809 O VAL A 50 -5.667 0.151 -7.892 1.00 0.00 O ATOM 810 CB VAL A 50 -3.538 1.736 -8.728 1.00 0.00 C ATOM 811 CG1 VAL A 50 -3.587 2.355 -7.330 1.00 0.00 C ATOM 812 CG2 VAL A 50 -2.349 2.317 -9.500 1.00 0.00 C ATOM 0 H VAL A 50 -3.559 0.258 -10.703 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.451 -0.012 -8.086 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.464 1.962 -9.257 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.702 3.436 -7.414 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.432 1.942 -6.779 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.662 2.129 -6.799 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.462 3.398 -9.583 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.424 2.089 -8.970 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.313 1.878 -10.497 1.00 0.00 H new ATOM 822 N LEU A 51 -4.287 -1.423 -7.067 1.00 0.00 N ATOM 823 CA LEU A 51 -5.323 -2.060 -6.267 1.00 0.00 C ATOM 824 C LEU A 51 -6.003 -1.050 -5.353 1.00 0.00 C ATOM 825 O LEU A 51 -5.553 0.088 -5.219 1.00 0.00 O ATOM 826 CB LEU A 51 -4.716 -3.170 -5.410 1.00 0.00 C ATOM 827 CG LEU A 51 -4.216 -4.312 -6.301 1.00 0.00 C ATOM 828 CD1 LEU A 51 -3.319 -5.246 -5.476 1.00 0.00 C ATOM 829 CD2 LEU A 51 -5.413 -5.099 -6.859 1.00 0.00 C ATOM 0 H LEU A 51 -3.368 -1.860 -6.995 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.062 -2.478 -6.950 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.891 -2.773 -4.818 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.460 -3.546 -4.708 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.644 -3.900 -7.132 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.962 -6.059 -6.108 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.467 -4.686 -5.090 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.890 -5.657 -4.643 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.052 -5.910 -7.492 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.993 -5.513 -6.034 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.044 -4.433 -7.447 1.00 0.00 H new ATOM 841 N GLN A 52 -7.085 -1.487 -4.720 1.00 0.00 N ATOM 842 CA GLN A 52 -7.834 -0.629 -3.801 1.00 0.00 C ATOM 843 C GLN A 52 -7.824 -1.223 -2.396 1.00 0.00 C ATOM 844 O GLN A 52 -7.337 -2.333 -2.180 1.00 0.00 O ATOM 845 CB GLN A 52 -9.283 -0.467 -4.279 1.00 0.00 C ATOM 846 CG GLN A 52 -9.346 -0.629 -5.796 1.00 0.00 C ATOM 847 CD GLN A 52 -10.656 -0.061 -6.330 1.00 0.00 C ATOM 848 OE1 GLN A 52 -11.090 1.009 -5.904 1.00 0.00 O ATOM 849 NE2 GLN A 52 -11.318 -0.719 -7.243 1.00 0.00 N ATOM 0 H GLN A 52 -7.465 -2.428 -4.824 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.355 0.350 -3.780 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -9.920 -1.209 -3.798 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -9.663 0.513 -3.992 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.503 -0.117 -6.259 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -9.263 -1.683 -6.061 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -10.957 -1.606 -7.595 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -12.196 -0.346 -7.604 1.00 0.00 H new ATOM 858 N ASP A 53 -8.364 -0.471 -1.445 1.00 0.00 N ATOM 859 CA ASP A 53 -8.417 -0.918 -0.059 1.00 0.00 C ATOM 860 C ASP A 53 -9.585 -1.872 0.170 1.00 0.00 C ATOM 861 O ASP A 53 -9.663 -2.531 1.207 1.00 0.00 O ATOM 862 CB ASP A 53 -8.579 0.291 0.857 1.00 0.00 C ATOM 863 CG ASP A 53 -7.384 1.226 0.709 1.00 0.00 C ATOM 864 OD1 ASP A 53 -6.277 0.726 0.598 1.00 0.00 O ATOM 865 OD2 ASP A 53 -7.593 2.428 0.709 1.00 0.00 O ATOM 0 H ASP A 53 -8.771 0.450 -1.608 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.489 -1.444 0.164 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -9.499 0.822 0.611 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -8.667 -0.037 1.893 1.00 0.00 H new ATOM 870 N SER A 54 -10.506 -1.919 -0.786 1.00 0.00 N ATOM 871 CA SER A 54 -11.687 -2.771 -0.656 1.00 0.00 C ATOM 872 C SER A 54 -11.551 -4.079 -1.438 1.00 0.00 C ATOM 873 O SER A 54 -12.530 -4.808 -1.594 1.00 0.00 O ATOM 874 CB SER A 54 -12.921 -2.017 -1.151 1.00 0.00 C ATOM 875 OG SER A 54 -12.927 -0.710 -0.591 1.00 0.00 O ATOM 0 H SER A 54 -10.461 -1.383 -1.653 1.00 0.00 H new ATOM 0 HA SER A 54 -11.789 -3.024 0.399 1.00 0.00 H new ATOM 0 HB2 SER A 54 -12.914 -1.959 -2.239 1.00 0.00 H new ATOM 0 HB3 SER A 54 -13.827 -2.552 -0.866 1.00 0.00 H new ATOM 0 HG SER A 54 -13.716 -0.222 -0.907 1.00 0.00 H new ATOM 881 N LYS A 55 -10.350 -4.383 -1.927 1.00 0.00 N ATOM 882 CA LYS A 55 -10.152 -5.619 -2.680 1.00 0.00 C ATOM 883 C LYS A 55 -9.537 -6.700 -1.801 1.00 0.00 C ATOM 884 O LYS A 55 -8.708 -6.417 -0.938 1.00 0.00 O ATOM 885 CB LYS A 55 -9.230 -5.372 -3.874 1.00 0.00 C ATOM 886 CG LYS A 55 -9.942 -4.493 -4.902 1.00 0.00 C ATOM 887 CD LYS A 55 -9.069 -4.361 -6.154 1.00 0.00 C ATOM 888 CE LYS A 55 -9.906 -3.817 -7.320 1.00 0.00 C ATOM 889 NZ LYS A 55 -10.397 -4.952 -8.150 1.00 0.00 N ATOM 0 H LYS A 55 -9.517 -3.805 -1.819 1.00 0.00 H new ATOM 0 HA LYS A 55 -11.129 -5.953 -3.029 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.311 -4.889 -3.542 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.945 -6.321 -4.328 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -10.907 -4.929 -5.163 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -10.141 -3.508 -4.479 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -8.231 -3.694 -5.955 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -8.648 -5.331 -6.419 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -10.749 -3.240 -6.939 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -9.306 -3.141 -7.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -10.950 -4.583 -8.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.586 -5.495 -8.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -10.998 -5.572 -7.570 1.00 0.00 H new ATOM 903 N THR A 56 -9.935 -7.944 -2.039 1.00 0.00 N ATOM 904 CA THR A 56 -9.394 -9.065 -1.278 1.00 0.00 C ATOM 905 C THR A 56 -8.397 -9.832 -2.125 1.00 0.00 C ATOM 906 O THR A 56 -8.557 -9.946 -3.340 1.00 0.00 O ATOM 907 CB THR A 56 -10.508 -10.003 -0.813 1.00 0.00 C ATOM 908 OG1 THR A 56 -11.331 -10.356 -1.916 1.00 0.00 O ATOM 909 CG2 THR A 56 -11.344 -9.310 0.255 1.00 0.00 C ATOM 0 H THR A 56 -10.624 -8.201 -2.746 1.00 0.00 H new ATOM 0 HA THR A 56 -8.892 -8.666 -0.397 1.00 0.00 H new ATOM 0 HB THR A 56 -10.067 -10.908 -0.395 1.00 0.00 H new ATOM 0 HG1 THR A 56 -12.042 -10.958 -1.614 1.00 0.00 H new ATOM 0 HG21 THR A 56 -12.138 -9.979 0.586 1.00 0.00 H new ATOM 0 HG22 THR A 56 -10.710 -9.052 1.103 1.00 0.00 H new ATOM 0 HG23 THR A 56 -11.783 -8.402 -0.159 1.00 0.00 H new ATOM 917 N VAL A 57 -7.370 -10.361 -1.483 1.00 0.00 N ATOM 918 CA VAL A 57 -6.353 -11.118 -2.205 1.00 0.00 C ATOM 919 C VAL A 57 -7.027 -12.069 -3.184 1.00 0.00 C ATOM 920 O VAL A 57 -6.478 -12.399 -4.235 1.00 0.00 O ATOM 921 CB VAL A 57 -5.479 -11.909 -1.220 1.00 0.00 C ATOM 922 CG1 VAL A 57 -5.050 -13.247 -1.839 1.00 0.00 C ATOM 923 CG2 VAL A 57 -4.228 -11.092 -0.882 1.00 0.00 C ATOM 0 H VAL A 57 -7.216 -10.284 -0.478 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.716 -10.425 -2.755 1.00 0.00 H new ATOM 0 HB VAL A 57 -6.057 -12.103 -0.317 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.431 -13.795 -1.128 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.935 -13.837 -2.080 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.479 -13.061 -2.749 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.606 -11.651 -0.183 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.664 -10.897 -1.794 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.523 -10.146 -0.428 1.00 0.00 H new ATOM 933 N SER A 58 -8.223 -12.501 -2.823 1.00 0.00 N ATOM 934 CA SER A 58 -8.980 -13.415 -3.660 1.00 0.00 C ATOM 935 C SER A 58 -9.430 -12.716 -4.936 1.00 0.00 C ATOM 936 O SER A 58 -9.456 -13.318 -6.008 1.00 0.00 O ATOM 937 CB SER A 58 -10.197 -13.924 -2.894 1.00 0.00 C ATOM 938 OG SER A 58 -10.808 -14.979 -3.626 1.00 0.00 O ATOM 0 H SER A 58 -8.690 -12.234 -1.957 1.00 0.00 H new ATOM 0 HA SER A 58 -8.342 -14.257 -3.928 1.00 0.00 H new ATOM 0 HB2 SER A 58 -9.898 -14.277 -1.907 1.00 0.00 H new ATOM 0 HB3 SER A 58 -10.909 -13.113 -2.740 1.00 0.00 H new ATOM 0 HG SER A 58 -11.589 -15.308 -3.135 1.00 0.00 H new ATOM 944 N GLU A 59 -9.777 -11.436 -4.816 1.00 0.00 N ATOM 945 CA GLU A 59 -10.214 -10.671 -5.971 1.00 0.00 C ATOM 946 C GLU A 59 -9.003 -10.098 -6.703 1.00 0.00 C ATOM 947 O GLU A 59 -9.025 -9.921 -7.921 1.00 0.00 O ATOM 948 CB GLU A 59 -11.179 -9.562 -5.526 1.00 0.00 C ATOM 949 CG GLU A 59 -10.423 -8.258 -5.258 1.00 0.00 C ATOM 950 CD GLU A 59 -10.207 -7.503 -6.566 1.00 0.00 C ATOM 951 OE1 GLU A 59 -11.164 -6.929 -7.058 1.00 0.00 O ATOM 952 OE2 GLU A 59 -9.092 -7.512 -7.056 1.00 0.00 O ATOM 0 H GLU A 59 -9.763 -10.916 -3.939 1.00 0.00 H new ATOM 0 HA GLU A 59 -10.746 -11.323 -6.663 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.933 -9.399 -6.296 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.707 -9.873 -4.625 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.986 -7.639 -4.559 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -9.463 -8.474 -4.790 1.00 0.00 H new ATOM 959 N CYS A 60 -7.938 -9.822 -5.948 1.00 0.00 N ATOM 960 CA CYS A 60 -6.718 -9.284 -6.536 1.00 0.00 C ATOM 961 C CYS A 60 -6.112 -10.294 -7.502 1.00 0.00 C ATOM 962 O CYS A 60 -5.417 -9.925 -8.449 1.00 0.00 O ATOM 963 CB CYS A 60 -5.714 -8.955 -5.431 1.00 0.00 C ATOM 964 SG CYS A 60 -6.592 -8.235 -4.023 1.00 0.00 S ATOM 0 H CYS A 60 -7.899 -9.962 -4.938 1.00 0.00 H new ATOM 0 HA CYS A 60 -6.960 -8.374 -7.084 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -5.186 -9.857 -5.123 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -4.963 -8.257 -5.802 1.00 0.00 H new ATOM 0 HG CYS A 60 -7.697 -8.889 -3.820 1.00 0.00 H new ATOM 970 N GLY A 61 -6.392 -11.571 -7.262 1.00 0.00 N ATOM 971 CA GLY A 61 -5.882 -12.633 -8.123 1.00 0.00 C ATOM 972 C GLY A 61 -4.540 -13.165 -7.630 1.00 0.00 C ATOM 973 O GLY A 61 -3.889 -13.948 -8.321 1.00 0.00 O ATOM 0 H GLY A 61 -6.966 -11.895 -6.483 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.604 -13.448 -8.162 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.772 -12.256 -9.140 1.00 0.00 H new ATOM 977 N LEU A 62 -4.125 -12.742 -6.440 1.00 0.00 N ATOM 978 CA LEU A 62 -2.855 -13.199 -5.895 1.00 0.00 C ATOM 979 C LEU A 62 -2.937 -14.659 -5.484 1.00 0.00 C ATOM 980 O LEU A 62 -3.966 -15.125 -4.993 1.00 0.00 O ATOM 981 CB LEU A 62 -2.454 -12.358 -4.682 1.00 0.00 C ATOM 982 CG LEU A 62 -2.078 -10.952 -5.137 1.00 0.00 C ATOM 983 CD1 LEU A 62 -2.263 -9.972 -3.976 1.00 0.00 C ATOM 984 CD2 LEU A 62 -0.616 -10.929 -5.605 1.00 0.00 C ATOM 0 H LEU A 62 -4.641 -12.094 -5.844 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.102 -13.089 -6.676 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.278 -12.313 -3.970 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.613 -12.822 -4.167 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.722 -10.658 -5.966 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.994 -8.967 -4.302 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.304 -9.982 -3.653 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.623 -10.268 -3.145 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.353 -9.922 -5.929 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.034 -11.227 -4.782 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.489 -11.622 -6.437 1.00 0.00 H new ATOM 996 N LYS A 63 -1.836 -15.367 -5.682 1.00 0.00 N ATOM 997 CA LYS A 63 -1.761 -16.779 -5.327 1.00 0.00 C ATOM 998 C LYS A 63 -0.620 -17.012 -4.341 1.00 0.00 C ATOM 999 O LYS A 63 -0.182 -16.084 -3.660 1.00 0.00 O ATOM 1000 CB LYS A 63 -1.580 -17.631 -6.590 1.00 0.00 C ATOM 1001 CG LYS A 63 -0.365 -17.148 -7.388 1.00 0.00 C ATOM 1002 CD LYS A 63 0.922 -17.702 -6.768 1.00 0.00 C ATOM 1003 CE LYS A 63 2.035 -17.715 -7.819 1.00 0.00 C ATOM 1004 NZ LYS A 63 3.345 -17.966 -7.153 1.00 0.00 N ATOM 0 H LYS A 63 -0.980 -14.988 -6.087 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.693 -17.077 -4.846 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.450 -18.678 -6.315 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.476 -17.572 -7.208 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.448 -17.473 -8.425 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.335 -16.058 -7.397 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.220 -17.090 -5.916 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.751 -18.711 -6.392 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.839 -18.488 -8.562 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.061 -16.763 -8.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.947 -17.123 -7.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.188 -18.175 -6.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.815 -18.776 -7.605 1.00 0.00 H new ATOM 1018 N ASP A 64 -0.151 -18.250 -4.253 1.00 0.00 N ATOM 1019 CA ASP A 64 0.926 -18.588 -3.329 1.00 0.00 C ATOM 1020 C ASP A 64 2.297 -18.311 -3.939 1.00 0.00 C ATOM 1021 O ASP A 64 2.628 -18.813 -5.013 1.00 0.00 O ATOM 1022 CB ASP A 64 0.830 -20.064 -2.938 1.00 0.00 C ATOM 1023 CG ASP A 64 0.575 -20.916 -4.177 1.00 0.00 C ATOM 1024 OD1 ASP A 64 1.334 -20.792 -5.124 1.00 0.00 O ATOM 1025 OD2 ASP A 64 -0.376 -21.679 -4.160 1.00 0.00 O ATOM 0 H ASP A 64 -0.497 -19.034 -4.807 1.00 0.00 H new ATOM 0 HA ASP A 64 0.815 -17.961 -2.445 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.753 -20.381 -2.452 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.025 -20.206 -2.217 1.00 0.00 H new ATOM 1030 N GLY A 65 3.097 -17.530 -3.222 1.00 0.00 N ATOM 1031 CA GLY A 65 4.451 -17.209 -3.671 1.00 0.00 C ATOM 1032 C GLY A 65 4.481 -16.169 -4.796 1.00 0.00 C ATOM 1033 O GLY A 65 5.546 -15.886 -5.344 1.00 0.00 O ATOM 0 H GLY A 65 2.835 -17.108 -2.331 1.00 0.00 H new ATOM 0 HA2 GLY A 65 5.029 -16.837 -2.825 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.939 -18.121 -4.014 1.00 0.00 H new ATOM 1037 N ASP A 66 3.329 -15.603 -5.151 1.00 0.00 N ATOM 1038 CA ASP A 66 3.297 -14.607 -6.225 1.00 0.00 C ATOM 1039 C ASP A 66 4.128 -13.380 -5.854 1.00 0.00 C ATOM 1040 O ASP A 66 4.866 -13.387 -4.867 1.00 0.00 O ATOM 1041 CB ASP A 66 1.849 -14.176 -6.521 1.00 0.00 C ATOM 1042 CG ASP A 66 1.604 -14.120 -8.029 1.00 0.00 C ATOM 1043 OD1 ASP A 66 2.571 -14.026 -8.766 1.00 0.00 O ATOM 1044 OD2 ASP A 66 0.450 -14.167 -8.423 1.00 0.00 O ATOM 0 H ASP A 66 2.426 -15.808 -4.724 1.00 0.00 H new ATOM 0 HA ASP A 66 3.724 -15.066 -7.117 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.153 -14.877 -6.059 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.657 -13.198 -6.079 1.00 0.00 H new ATOM 1049 N GLN A 67 3.988 -12.322 -6.648 1.00 0.00 N ATOM 1050 CA GLN A 67 4.713 -11.079 -6.405 1.00 0.00 C ATOM 1051 C GLN A 67 3.778 -9.896 -6.607 1.00 0.00 C ATOM 1052 O GLN A 67 2.974 -9.887 -7.540 1.00 0.00 O ATOM 1053 CB GLN A 67 5.902 -10.964 -7.361 1.00 0.00 C ATOM 1054 CG GLN A 67 6.685 -12.278 -7.366 1.00 0.00 C ATOM 1055 CD GLN A 67 7.875 -12.171 -8.313 1.00 0.00 C ATOM 1056 OE1 GLN A 67 8.296 -11.068 -8.660 1.00 0.00 O ATOM 1057 NE2 GLN A 67 8.446 -13.258 -8.754 1.00 0.00 N ATOM 0 H GLN A 67 3.379 -12.301 -7.466 1.00 0.00 H new ATOM 0 HA GLN A 67 5.084 -11.080 -5.380 1.00 0.00 H new ATOM 0 HB2 GLN A 67 5.552 -10.734 -8.367 1.00 0.00 H new ATOM 0 HB3 GLN A 67 6.551 -10.144 -7.054 1.00 0.00 H new ATOM 0 HG2 GLN A 67 7.031 -12.509 -6.358 1.00 0.00 H new ATOM 0 HG3 GLN A 67 6.036 -13.097 -7.676 1.00 0.00 H new ATOM 0 HE21 GLN A 67 8.096 -14.171 -8.465 1.00 0.00 H new ATOM 0 HE22 GLN A 67 9.243 -13.194 -9.388 1.00 0.00 H new ATOM 1066 N VAL A 68 3.868 -8.904 -5.723 1.00 0.00 N ATOM 1067 CA VAL A 68 3.004 -7.737 -5.818 1.00 0.00 C ATOM 1068 C VAL A 68 3.831 -6.465 -5.954 1.00 0.00 C ATOM 1069 O VAL A 68 4.566 -6.088 -5.042 1.00 0.00 O ATOM 1070 CB VAL A 68 2.124 -7.652 -4.560 1.00 0.00 C ATOM 1071 CG1 VAL A 68 0.670 -7.369 -4.955 1.00 0.00 C ATOM 1072 CG2 VAL A 68 2.188 -8.977 -3.795 1.00 0.00 C ATOM 0 H VAL A 68 4.524 -8.887 -4.942 1.00 0.00 H new ATOM 0 HA VAL A 68 2.375 -7.835 -6.703 1.00 0.00 H new ATOM 0 HB VAL A 68 2.491 -6.844 -3.927 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.054 -7.310 -4.058 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.617 -6.423 -5.494 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.304 -8.172 -5.595 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.563 -8.913 -2.904 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.828 -9.784 -4.434 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.218 -9.179 -3.502 1.00 0.00 H new ATOM 1082 N VAL A 69 3.695 -5.794 -7.089 1.00 0.00 N ATOM 1083 CA VAL A 69 4.421 -4.560 -7.312 1.00 0.00 C ATOM 1084 C VAL A 69 3.820 -3.471 -6.442 1.00 0.00 C ATOM 1085 O VAL A 69 2.606 -3.404 -6.284 1.00 0.00 O ATOM 1086 CB VAL A 69 4.344 -4.158 -8.785 1.00 0.00 C ATOM 1087 CG1 VAL A 69 5.120 -2.858 -9.007 1.00 0.00 C ATOM 1088 CG2 VAL A 69 4.955 -5.265 -9.646 1.00 0.00 C ATOM 0 H VAL A 69 3.094 -6.083 -7.861 1.00 0.00 H new ATOM 0 HA VAL A 69 5.469 -4.703 -7.050 1.00 0.00 H new ATOM 0 HB VAL A 69 3.301 -4.009 -9.064 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.063 -2.575 -10.058 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.688 -2.067 -8.394 1.00 0.00 H new ATOM 0 HG13 VAL A 69 6.163 -3.005 -8.727 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.901 -4.980 -10.697 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.997 -5.413 -9.363 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.403 -6.192 -9.492 1.00 0.00 H new ATOM 1098 N PHE A 70 4.668 -2.635 -5.865 1.00 0.00 N ATOM 1099 CA PHE A 70 4.182 -1.564 -5.000 1.00 0.00 C ATOM 1100 C PHE A 70 5.186 -0.416 -4.921 1.00 0.00 C ATOM 1101 O PHE A 70 6.316 -0.527 -5.394 1.00 0.00 O ATOM 1102 CB PHE A 70 3.913 -2.114 -3.593 1.00 0.00 C ATOM 1103 CG PHE A 70 5.171 -2.029 -2.758 1.00 0.00 C ATOM 1104 CD1 PHE A 70 6.206 -2.950 -2.955 1.00 0.00 C ATOM 1105 CD2 PHE A 70 5.303 -1.022 -1.795 1.00 0.00 C ATOM 1106 CE1 PHE A 70 7.372 -2.866 -2.185 1.00 0.00 C ATOM 1107 CE2 PHE A 70 6.468 -0.938 -1.027 1.00 0.00 C ATOM 1108 CZ PHE A 70 7.504 -1.859 -1.220 1.00 0.00 C ATOM 0 H PHE A 70 5.681 -2.672 -5.975 1.00 0.00 H new ATOM 0 HA PHE A 70 3.257 -1.178 -5.427 1.00 0.00 H new ATOM 0 HB2 PHE A 70 3.112 -1.547 -3.118 1.00 0.00 H new ATOM 0 HB3 PHE A 70 3.577 -3.149 -3.656 1.00 0.00 H new ATOM 0 HD1 PHE A 70 6.105 -3.725 -3.700 1.00 0.00 H new ATOM 0 HD2 PHE A 70 4.505 -0.310 -1.645 1.00 0.00 H new ATOM 0 HE1 PHE A 70 8.170 -3.578 -2.335 1.00 0.00 H new ATOM 0 HE2 PHE A 70 6.569 -0.161 -0.284 1.00 0.00 H new ATOM 0 HZ PHE A 70 8.404 -1.794 -0.626 1.00 0.00 H new ATOM 1118 N MET A 71 4.755 0.683 -4.307 1.00 0.00 N ATOM 1119 CA MET A 71 5.608 1.858 -4.152 1.00 0.00 C ATOM 1120 C MET A 71 5.107 2.719 -2.992 1.00 0.00 C ATOM 1121 O MET A 71 3.907 2.777 -2.726 1.00 0.00 O ATOM 1122 CB MET A 71 5.607 2.683 -5.449 1.00 0.00 C ATOM 1123 CG MET A 71 6.934 2.495 -6.192 1.00 0.00 C ATOM 1124 SD MET A 71 6.764 3.098 -7.890 1.00 0.00 S ATOM 1125 CE MET A 71 6.912 4.863 -7.521 1.00 0.00 C ATOM 0 H MET A 71 3.821 0.784 -3.909 1.00 0.00 H new ATOM 0 HA MET A 71 6.625 1.529 -3.939 1.00 0.00 H new ATOM 0 HB2 MET A 71 4.778 2.374 -6.085 1.00 0.00 H new ATOM 0 HB3 MET A 71 5.456 3.738 -5.219 1.00 0.00 H new ATOM 0 HG2 MET A 71 7.730 3.036 -5.680 1.00 0.00 H new ATOM 0 HG3 MET A 71 7.216 1.442 -6.195 1.00 0.00 H new ATOM 0 HE1 MET A 71 6.037 5.389 -7.903 1.00 0.00 H new ATOM 0 HE2 MET A 71 6.979 5.005 -6.442 1.00 0.00 H new ATOM 0 HE3 MET A 71 7.810 5.260 -7.995 1.00 0.00 H new ATOM 1135 N VAL A 72 6.032 3.385 -2.304 1.00 0.00 N ATOM 1136 CA VAL A 72 5.666 4.240 -1.176 1.00 0.00 C ATOM 1137 C VAL A 72 5.679 5.708 -1.585 1.00 0.00 C ATOM 1138 O VAL A 72 6.660 6.198 -2.146 1.00 0.00 O ATOM 1139 CB VAL A 72 6.635 4.026 -0.012 1.00 0.00 C ATOM 1140 CG1 VAL A 72 6.077 4.697 1.246 1.00 0.00 C ATOM 1141 CG2 VAL A 72 6.801 2.526 0.243 1.00 0.00 C ATOM 0 H VAL A 72 7.031 3.350 -2.505 1.00 0.00 H new ATOM 0 HA VAL A 72 4.658 3.971 -0.861 1.00 0.00 H new ATOM 0 HB VAL A 72 7.602 4.463 -0.259 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.767 4.545 2.076 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.956 5.765 1.066 1.00 0.00 H new ATOM 0 HG13 VAL A 72 5.110 4.259 1.493 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.491 2.372 1.072 1.00 0.00 H new ATOM 0 HG22 VAL A 72 5.833 2.090 0.491 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.197 2.046 -0.652 1.00 0.00 H new ATOM 1151 N SER A 73 4.584 6.404 -1.299 1.00 0.00 N ATOM 1152 CA SER A 73 4.476 7.820 -1.639 1.00 0.00 C ATOM 1153 C SER A 73 4.858 8.687 -0.445 1.00 0.00 C ATOM 1154 O SER A 73 4.958 8.201 0.681 1.00 0.00 O ATOM 1155 CB SER A 73 3.045 8.146 -2.071 1.00 0.00 C ATOM 1156 OG SER A 73 2.784 7.536 -3.328 1.00 0.00 O ATOM 0 H SER A 73 3.763 6.015 -0.836 1.00 0.00 H new ATOM 0 HA SER A 73 5.160 8.030 -2.461 1.00 0.00 H new ATOM 0 HB2 SER A 73 2.337 7.786 -1.325 1.00 0.00 H new ATOM 0 HB3 SER A 73 2.911 9.225 -2.143 1.00 0.00 H new ATOM 0 HG SER A 73 2.404 8.200 -3.941 1.00 0.00 H new ATOM 1162 N GLN A 74 5.073 9.975 -0.700 1.00 0.00 N ATOM 1163 CA GLN A 74 5.446 10.902 0.364 1.00 0.00 C ATOM 1164 C GLN A 74 4.220 11.315 1.172 1.00 0.00 C ATOM 1165 O GLN A 74 3.101 10.888 0.886 1.00 0.00 O ATOM 1166 CB GLN A 74 6.107 12.144 -0.236 1.00 0.00 C ATOM 1167 CG GLN A 74 5.160 12.790 -1.249 1.00 0.00 C ATOM 1168 CD GLN A 74 5.820 14.014 -1.873 1.00 0.00 C ATOM 1169 OE1 GLN A 74 5.984 14.080 -3.090 1.00 0.00 O ATOM 1170 NE2 GLN A 74 6.208 14.996 -1.105 1.00 0.00 N ATOM 0 H GLN A 74 4.996 10.397 -1.625 1.00 0.00 H new ATOM 0 HA GLN A 74 6.150 10.400 1.028 1.00 0.00 H new ATOM 0 HB2 GLN A 74 6.352 12.855 0.553 1.00 0.00 H new ATOM 0 HB3 GLN A 74 7.044 11.871 -0.721 1.00 0.00 H new ATOM 0 HG2 GLN A 74 4.900 12.071 -2.026 1.00 0.00 H new ATOM 0 HG3 GLN A 74 4.231 13.078 -0.758 1.00 0.00 H new ATOM 0 HE21 GLN A 74 6.071 14.939 -0.096 1.00 0.00 H new ATOM 0 HE22 GLN A 74 6.648 15.820 -1.514 1.00 0.00 H new ATOM 1179 N LYS A 75 4.438 12.151 2.183 1.00 0.00 N ATOM 1180 CA LYS A 75 3.344 12.619 3.028 1.00 0.00 C ATOM 1181 C LYS A 75 2.669 13.835 2.402 1.00 0.00 C ATOM 1182 O LYS A 75 3.336 14.779 1.979 1.00 0.00 O ATOM 1183 CB LYS A 75 3.875 12.982 4.419 1.00 0.00 C ATOM 1184 CG LYS A 75 5.230 13.695 4.290 1.00 0.00 C ATOM 1185 CD LYS A 75 6.371 12.671 4.362 1.00 0.00 C ATOM 1186 CE LYS A 75 6.748 12.418 5.825 1.00 0.00 C ATOM 1187 NZ LYS A 75 7.870 11.438 5.886 1.00 0.00 N ATOM 0 H LYS A 75 5.356 12.516 2.436 1.00 0.00 H new ATOM 0 HA LYS A 75 2.610 11.818 3.120 1.00 0.00 H new ATOM 0 HB2 LYS A 75 3.162 13.627 4.933 1.00 0.00 H new ATOM 0 HB3 LYS A 75 3.984 12.081 5.023 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.276 14.238 3.346 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.340 14.431 5.086 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.065 11.738 3.889 1.00 0.00 H new ATOM 0 HD3 LYS A 75 7.237 13.038 3.812 1.00 0.00 H new ATOM 0 HE2 LYS A 75 7.041 13.353 6.303 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.887 12.036 6.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 8.127 11.266 6.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.574 10.544 5.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 8.693 11.820 5.377 1.00 0.00 H new ATOM 1201 N LYS A 76 1.341 13.804 2.344 1.00 0.00 N ATOM 1202 CA LYS A 76 0.583 14.908 1.766 1.00 0.00 C ATOM 1203 C LYS A 76 0.395 16.025 2.787 1.00 0.00 C ATOM 1204 O LYS A 76 0.752 15.877 3.957 1.00 0.00 O ATOM 1205 CB LYS A 76 -0.784 14.410 1.293 1.00 0.00 C ATOM 1206 CG LYS A 76 -0.602 13.152 0.442 1.00 0.00 C ATOM 1207 CD LYS A 76 -1.949 12.738 -0.153 1.00 0.00 C ATOM 1208 CE LYS A 76 -1.779 11.443 -0.950 1.00 0.00 C ATOM 1209 NZ LYS A 76 -0.950 11.711 -2.160 1.00 0.00 N ATOM 0 H LYS A 76 0.771 13.031 2.688 1.00 0.00 H new ATOM 0 HA LYS A 76 1.141 15.301 0.916 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.421 14.193 2.151 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.285 15.185 0.713 1.00 0.00 H new ATOM 0 HG2 LYS A 76 0.117 13.341 -0.355 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.198 12.344 1.051 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.681 12.595 0.642 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -2.331 13.528 -0.800 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -1.303 10.682 -0.331 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -2.754 11.053 -1.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -1.054 10.925 -2.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.265 12.595 -2.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 0.049 11.800 -1.884 1.00 0.00 H new ATOM 1223 N SER A 77 -0.166 17.144 2.338 1.00 0.00 N ATOM 1224 CA SER A 77 -0.396 18.281 3.221 1.00 0.00 C ATOM 1225 C SER A 77 -1.610 18.032 4.111 1.00 0.00 C ATOM 1226 O SER A 77 -2.047 18.920 4.844 1.00 0.00 O ATOM 1227 CB SER A 77 -0.619 19.548 2.394 1.00 0.00 C ATOM 1228 OG SER A 77 -1.634 19.305 1.429 1.00 0.00 O ATOM 0 H SER A 77 -0.468 17.287 1.374 1.00 0.00 H new ATOM 0 HA SER A 77 0.483 18.410 3.853 1.00 0.00 H new ATOM 0 HB2 SER A 77 -0.909 20.374 3.044 1.00 0.00 H new ATOM 0 HB3 SER A 77 0.307 19.841 1.899 1.00 0.00 H new ATOM 0 HG SER A 77 -1.781 20.115 0.898 1.00 0.00 H new ATOM 1234 N THR A 78 -2.151 16.821 4.041 1.00 0.00 N ATOM 1235 CA THR A 78 -3.315 16.468 4.845 1.00 0.00 C ATOM 1236 C THR A 78 -2.938 16.367 6.319 1.00 0.00 C ATOM 1237 O THR A 78 -3.764 15.911 7.092 1.00 0.00 O ATOM 1238 CB THR A 78 -3.890 15.131 4.371 1.00 0.00 C ATOM 1239 OG1 THR A 78 -2.854 14.159 4.331 1.00 0.00 O ATOM 1240 CG2 THR A 78 -4.490 15.297 2.975 1.00 0.00 C ATOM 0 H THR A 78 -1.806 16.072 3.441 1.00 0.00 H new ATOM 0 HA THR A 78 -4.066 17.250 4.727 1.00 0.00 H new ATOM 0 HB THR A 78 -4.668 14.805 5.061 1.00 0.00 H new ATOM 0 HG1 THR A 78 -3.221 13.302 4.029 1.00 0.00 H new ATOM 0 HG21 THR A 78 -4.899 14.344 2.639 1.00 0.00 H new ATOM 0 HG22 THR A 78 -5.285 16.042 3.007 1.00 0.00 H new ATOM 0 HG23 THR A 78 -3.714 15.623 2.282 1.00 0.00 H new TER 1248 THR A 78