USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 519 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 Set 1.1: A 10 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 11 CYS SG : rot 180:sc= 1.19 USER MOD Set 1.3: A 14 CYS SG : rot 61:sc= 1.9 USER MOD Single : A 1 MET CE :methyl 166:sc= -0.261 (180deg=-0.643) 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 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl -143:sc= -0.121 (180deg=-0.436) USER MOD Single : A 12 ASN : amide:sc= -0.0101 X(o=-0.01,f=-0.01) USER MOD Single : A 13 HIS : no HD1:sc= -0.251 X(o=-0.25,f=-0.4) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 70:sc= 0.497 USER MOD Single : A 20 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.00147) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.18) USER MOD Single : A 34 SER OG : rot -120:sc= -0.114 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot -28:sc= 0.00768 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN :FLIP amide:sc= -0.0711 F(o=-2.2!,f=-0.071) USER MOD Single : A 60 TYR OH : rot 30:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.579 -3.301 7.168 1.00 0.00 N ATOM 2 CA MET A 1 -9.162 -2.942 7.268 1.00 0.00 C ATOM 3 C MET A 1 -8.361 -3.933 6.433 1.00 0.00 C ATOM 4 O MET A 1 -7.921 -4.970 6.940 1.00 0.00 O ATOM 5 CB MET A 1 -8.731 -2.844 8.737 1.00 0.00 C ATOM 6 CG MET A 1 -7.261 -2.448 8.902 1.00 0.00 C ATOM 7 SD MET A 1 -6.805 -2.136 10.628 1.00 0.00 S ATOM 8 CE MET A 1 -5.010 -2.351 10.525 1.00 0.00 C ATOM 0 H1 MET A 1 -11.146 -2.636 7.732 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.879 -3.255 6.173 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.719 -4.267 7.528 1.00 0.00 H new ATOM 0 HA MET A 1 -8.971 -1.949 6.861 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.358 -2.113 9.246 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.900 -3.804 9.225 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.629 -3.241 8.502 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.062 -1.554 8.311 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.544 -1.957 11.428 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.775 -3.411 10.429 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.629 -1.815 9.656 1.00 0.00 H new ATOM 18 N LEU A 2 -8.186 -3.622 5.145 1.00 0.00 N ATOM 19 CA LEU A 2 -7.469 -4.457 4.192 1.00 0.00 C ATOM 20 C LEU A 2 -5.993 -4.558 4.523 1.00 0.00 C ATOM 21 O LEU A 2 -5.408 -3.660 5.127 1.00 0.00 O ATOM 22 CB LEU A 2 -7.617 -3.890 2.768 1.00 0.00 C ATOM 23 CG LEU A 2 -8.917 -4.337 2.091 1.00 0.00 C ATOM 24 CD1 LEU A 2 -9.222 -3.420 0.907 1.00 0.00 C ATOM 25 CD2 LEU A 2 -8.833 -5.775 1.575 1.00 0.00 C ATOM 0 H LEU A 2 -8.549 -2.763 4.733 1.00 0.00 H new ATOM 0 HA LEU A 2 -7.907 -5.453 4.251 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -7.588 -2.801 2.809 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -6.768 -4.209 2.163 1.00 0.00 H new ATOM 0 HG LEU A 2 -9.705 -4.283 2.842 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -10.147 -3.740 0.428 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -9.332 -2.395 1.260 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -8.404 -3.470 0.188 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -9.777 -6.048 1.103 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -8.027 -5.853 0.846 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -8.635 -6.450 2.408 1.00 0.00 H new ATOM 37 N LYS A 3 -5.403 -5.640 4.024 1.00 0.00 N ATOM 38 CA LYS A 3 -4.004 -6.039 4.138 1.00 0.00 C ATOM 39 C LYS A 3 -3.446 -6.323 2.760 1.00 0.00 C ATOM 40 O LYS A 3 -3.933 -7.217 2.057 1.00 0.00 O ATOM 41 CB LYS A 3 -3.838 -7.300 5.013 1.00 0.00 C ATOM 42 CG LYS A 3 -2.350 -7.637 5.291 1.00 0.00 C ATOM 43 CD LYS A 3 -2.198 -8.916 6.132 1.00 0.00 C ATOM 44 CE LYS A 3 -0.810 -9.104 6.772 1.00 0.00 C ATOM 45 NZ LYS A 3 0.148 -9.902 5.968 1.00 0.00 N ATOM 0 H LYS A 3 -5.938 -6.319 3.483 1.00 0.00 H new ATOM 0 HA LYS A 3 -3.463 -5.219 4.611 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.357 -7.152 5.960 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -4.313 -8.147 4.518 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -1.823 -7.760 4.345 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -1.880 -6.803 5.811 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -2.949 -8.907 6.922 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -2.411 -9.778 5.500 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -0.376 -8.122 6.957 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -0.936 -9.585 7.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 1.052 -9.975 6.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -0.239 -10.854 5.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 0.304 -9.437 5.051 1.00 0.00 H new ATOM 59 N LEU A 4 -2.440 -5.554 2.377 1.00 0.00 N ATOM 60 CA LEU A 4 -1.709 -5.657 1.131 1.00 0.00 C ATOM 61 C LEU A 4 -0.284 -5.948 1.543 1.00 0.00 C ATOM 62 O LEU A 4 0.174 -5.523 2.608 1.00 0.00 O ATOM 63 CB LEU A 4 -1.716 -4.325 0.380 1.00 0.00 C ATOM 64 CG LEU A 4 -2.887 -4.143 -0.600 1.00 0.00 C ATOM 65 CD1 LEU A 4 -2.552 -4.742 -1.956 1.00 0.00 C ATOM 66 CD2 LEU A 4 -4.259 -4.615 -0.105 1.00 0.00 C ATOM 0 H LEU A 4 -2.093 -4.796 2.965 1.00 0.00 H new ATOM 0 HA LEU A 4 -2.147 -6.415 0.482 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -1.740 -3.514 1.108 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -0.781 -4.230 -0.172 1.00 0.00 H new ATOM 0 HG LEU A 4 -3.002 -3.063 -0.689 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -3.394 -4.602 -2.634 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -1.671 -4.247 -2.365 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -2.350 -5.807 -1.843 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -5.006 -4.437 -0.879 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -4.217 -5.681 0.121 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -4.530 -4.064 0.795 1.00 0.00 H new ATOM 78 N LYS A 5 0.413 -6.624 0.655 1.00 0.00 N ATOM 79 CA LYS A 5 1.788 -7.026 0.780 1.00 0.00 C ATOM 80 C LYS A 5 2.494 -6.358 -0.375 1.00 0.00 C ATOM 81 O LYS A 5 2.072 -6.515 -1.520 1.00 0.00 O ATOM 82 CB LYS A 5 1.849 -8.543 0.670 1.00 0.00 C ATOM 83 CG LYS A 5 3.281 -9.055 0.826 1.00 0.00 C ATOM 84 CD LYS A 5 3.295 -10.567 0.622 1.00 0.00 C ATOM 85 CE LYS A 5 4.695 -11.076 0.933 1.00 0.00 C ATOM 86 NZ LYS A 5 4.750 -12.542 0.870 1.00 0.00 N ATOM 0 H LYS A 5 0.003 -6.924 -0.229 1.00 0.00 H new ATOM 0 HA LYS A 5 2.248 -6.745 1.727 1.00 0.00 H new ATOM 0 HB2 LYS A 5 1.215 -8.991 1.435 1.00 0.00 H new ATOM 0 HB3 LYS A 5 1.452 -8.856 -0.296 1.00 0.00 H new ATOM 0 HG2 LYS A 5 3.935 -8.571 0.100 1.00 0.00 H new ATOM 0 HG3 LYS A 5 3.664 -8.805 1.815 1.00 0.00 H new ATOM 0 HD2 LYS A 5 2.563 -11.045 1.273 1.00 0.00 H new ATOM 0 HD3 LYS A 5 3.019 -10.815 -0.403 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.406 -10.651 0.224 1.00 0.00 H new ATOM 0 HE3 LYS A 5 4.996 -10.740 1.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 5.715 -12.863 1.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 4.088 -12.944 1.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 4.486 -12.859 -0.085 1.00 0.00 H new ATOM 100 N VAL A 6 3.500 -5.563 -0.076 1.00 0.00 N ATOM 101 CA VAL A 6 4.285 -4.858 -1.066 1.00 0.00 C ATOM 102 C VAL A 6 5.653 -5.520 -1.157 1.00 0.00 C ATOM 103 O VAL A 6 6.157 -6.096 -0.190 1.00 0.00 O ATOM 104 CB VAL A 6 4.446 -3.382 -0.655 1.00 0.00 C ATOM 105 CG1 VAL A 6 4.959 -2.552 -1.838 1.00 0.00 C ATOM 106 CG2 VAL A 6 3.161 -2.737 -0.116 1.00 0.00 C ATOM 0 H VAL A 6 3.801 -5.386 0.882 1.00 0.00 H new ATOM 0 HA VAL A 6 3.785 -4.897 -2.034 1.00 0.00 H new ATOM 0 HB VAL A 6 5.167 -3.386 0.162 1.00 0.00 H new ATOM 0 HG11 VAL A 6 5.068 -1.511 -1.532 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.926 -2.938 -2.161 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.249 -2.616 -2.662 1.00 0.00 H new ATOM 0 HG21 VAL A 6 3.359 -1.699 0.151 1.00 0.00 H new ATOM 0 HG22 VAL A 6 2.387 -2.773 -0.882 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.824 -3.280 0.767 1.00 0.00 H new ATOM 116 N GLU A 7 6.260 -5.442 -2.331 1.00 0.00 N ATOM 117 CA GLU A 7 7.583 -5.959 -2.602 1.00 0.00 C ATOM 118 C GLU A 7 8.296 -4.868 -3.399 1.00 0.00 C ATOM 119 O GLU A 7 7.655 -3.956 -3.926 1.00 0.00 O ATOM 120 CB GLU A 7 7.504 -7.344 -3.264 1.00 0.00 C ATOM 121 CG GLU A 7 8.872 -7.993 -3.527 1.00 0.00 C ATOM 122 CD GLU A 7 9.847 -7.901 -2.346 1.00 0.00 C ATOM 123 OE1 GLU A 7 9.450 -8.129 -1.183 1.00 0.00 O ATOM 124 OE2 GLU A 7 11.026 -7.523 -2.553 1.00 0.00 O ATOM 0 H GLU A 7 5.828 -5.003 -3.144 1.00 0.00 H new ATOM 0 HA GLU A 7 8.169 -6.159 -1.705 1.00 0.00 H new ATOM 0 HB2 GLU A 7 6.916 -8.006 -2.628 1.00 0.00 H new ATOM 0 HB3 GLU A 7 6.969 -7.253 -4.209 1.00 0.00 H new ATOM 0 HG2 GLU A 7 8.722 -9.043 -3.779 1.00 0.00 H new ATOM 0 HG3 GLU A 7 9.326 -7.518 -4.397 1.00 0.00 H new ATOM 131 N GLY A 8 9.626 -4.902 -3.434 1.00 0.00 N ATOM 132 CA GLY A 8 10.403 -3.906 -4.146 1.00 0.00 C ATOM 133 C GLY A 8 10.766 -2.725 -3.249 1.00 0.00 C ATOM 134 O GLY A 8 11.752 -2.050 -3.546 1.00 0.00 O ATOM 0 H GLY A 8 10.187 -5.618 -2.971 1.00 0.00 H new ATOM 0 HA2 GLY A 8 11.314 -4.363 -4.532 1.00 0.00 H new ATOM 0 HA3 GLY A 8 9.836 -3.549 -5.006 1.00 0.00 H new ATOM 138 N MET A 9 10.023 -2.465 -2.160 1.00 0.00 N ATOM 139 CA MET A 9 10.352 -1.367 -1.252 1.00 0.00 C ATOM 140 C MET A 9 11.707 -1.688 -0.625 1.00 0.00 C ATOM 141 O MET A 9 11.983 -2.857 -0.339 1.00 0.00 O ATOM 142 CB MET A 9 9.336 -1.213 -0.104 1.00 0.00 C ATOM 143 CG MET A 9 7.879 -1.313 -0.538 1.00 0.00 C ATOM 144 SD MET A 9 6.668 -0.782 0.712 1.00 0.00 S ATOM 145 CE MET A 9 6.918 -2.020 2.010 1.00 0.00 C ATOM 0 H MET A 9 9.197 -3.000 -1.893 1.00 0.00 H new ATOM 0 HA MET A 9 10.349 -0.441 -1.827 1.00 0.00 H new ATOM 0 HB2 MET A 9 9.533 -1.980 0.645 1.00 0.00 H new ATOM 0 HB3 MET A 9 9.494 -0.248 0.378 1.00 0.00 H new ATOM 0 HG2 MET A 9 7.740 -0.710 -1.436 1.00 0.00 H new ATOM 0 HG3 MET A 9 7.667 -2.346 -0.812 1.00 0.00 H new ATOM 0 HE1 MET A 9 5.959 -2.270 2.464 1.00 0.00 H new ATOM 0 HE2 MET A 9 7.360 -2.917 1.577 1.00 0.00 H new ATOM 0 HE3 MET A 9 7.586 -1.619 2.772 1.00 0.00 H new ATOM 155 N THR A 10 12.519 -0.674 -0.338 1.00 0.00 N ATOM 156 CA THR A 10 13.827 -0.888 0.274 1.00 0.00 C ATOM 157 C THR A 10 14.130 0.112 1.392 1.00 0.00 C ATOM 158 O THR A 10 14.949 -0.184 2.268 1.00 0.00 O ATOM 159 CB THR A 10 14.917 -0.866 -0.803 1.00 0.00 C ATOM 160 OG1 THR A 10 14.797 0.309 -1.589 1.00 0.00 O ATOM 161 CG2 THR A 10 14.912 -2.111 -1.698 1.00 0.00 C ATOM 0 H THR A 10 12.294 0.304 -0.520 1.00 0.00 H new ATOM 0 HA THR A 10 13.811 -1.870 0.746 1.00 0.00 H new ATOM 0 HB THR A 10 15.874 -0.868 -0.282 1.00 0.00 H new ATOM 0 HG1 THR A 10 15.498 0.317 -2.274 1.00 0.00 H new ATOM 0 HG21 THR A 10 15.708 -2.030 -2.438 1.00 0.00 H new ATOM 0 HG22 THR A 10 15.073 -2.999 -1.087 1.00 0.00 H new ATOM 0 HG23 THR A 10 13.951 -2.190 -2.206 1.00 0.00 H new ATOM 169 N CYS A 11 13.479 1.278 1.415 1.00 0.00 N ATOM 170 CA CYS A 11 13.708 2.272 2.442 1.00 0.00 C ATOM 171 C CYS A 11 12.418 3.011 2.779 1.00 0.00 C ATOM 172 O CYS A 11 11.365 2.802 2.171 1.00 0.00 O ATOM 173 CB CYS A 11 14.835 3.210 1.998 1.00 0.00 C ATOM 174 SG CYS A 11 14.273 4.328 0.681 1.00 0.00 S ATOM 0 H CYS A 11 12.783 1.550 0.721 1.00 0.00 H new ATOM 0 HA CYS A 11 14.027 1.786 3.364 1.00 0.00 H new ATOM 0 HB2 CYS A 11 15.184 3.793 2.850 1.00 0.00 H new ATOM 0 HB3 CYS A 11 15.683 2.623 1.644 1.00 0.00 H new ATOM 0 HG CYS A 11 15.250 5.110 0.329 1.00 0.00 H new ATOM 180 N ASN A 12 12.524 3.904 3.760 1.00 0.00 N ATOM 181 CA ASN A 12 11.416 4.718 4.240 1.00 0.00 C ATOM 182 C ASN A 12 10.884 5.636 3.144 1.00 0.00 C ATOM 183 O ASN A 12 9.689 5.928 3.115 1.00 0.00 O ATOM 184 CB ASN A 12 11.873 5.554 5.436 1.00 0.00 C ATOM 185 CG ASN A 12 12.347 4.702 6.597 1.00 0.00 C ATOM 186 OD1 ASN A 12 13.519 4.766 6.957 1.00 0.00 O ATOM 187 ND2 ASN A 12 11.492 3.871 7.164 1.00 0.00 N ATOM 0 H ASN A 12 13.400 4.084 4.251 1.00 0.00 H new ATOM 0 HA ASN A 12 10.610 4.049 4.542 1.00 0.00 H new ATOM 0 HB2 ASN A 12 12.680 6.217 5.124 1.00 0.00 H new ATOM 0 HB3 ASN A 12 11.050 6.187 5.767 1.00 0.00 H new ATOM 0 HD21 ASN A 12 11.800 3.261 7.921 1.00 0.00 H new ATOM 0 HD22 ASN A 12 10.524 3.839 6.845 1.00 0.00 H new ATOM 194 N HIS A 13 11.756 6.085 2.233 1.00 0.00 N ATOM 195 CA HIS A 13 11.348 6.960 1.141 1.00 0.00 C ATOM 196 C HIS A 13 10.397 6.214 0.202 1.00 0.00 C ATOM 197 O HIS A 13 9.406 6.787 -0.244 1.00 0.00 O ATOM 198 CB HIS A 13 12.568 7.550 0.419 1.00 0.00 C ATOM 199 CG HIS A 13 12.407 9.001 0.030 1.00 0.00 C ATOM 200 ND1 HIS A 13 11.785 9.986 0.774 1.00 0.00 N ATOM 201 CD2 HIS A 13 12.962 9.603 -1.067 1.00 0.00 C ATOM 202 CE1 HIS A 13 11.953 11.152 0.134 1.00 0.00 C ATOM 203 NE2 HIS A 13 12.704 10.976 -0.966 1.00 0.00 N ATOM 0 H HIS A 13 12.749 5.853 2.236 1.00 0.00 H new ATOM 0 HA HIS A 13 10.800 7.811 1.546 1.00 0.00 H new ATOM 0 HB2 HIS A 13 13.442 7.452 1.063 1.00 0.00 H new ATOM 0 HB3 HIS A 13 12.766 6.963 -0.478 1.00 0.00 H new ATOM 0 HD2 HIS A 13 13.500 9.110 -1.864 1.00 0.00 H new ATOM 0 HE1 HIS A 13 11.543 12.098 0.457 1.00 0.00 H new ATOM 0 HE2 HIS A 13 13.025 11.703 -1.605 1.00 0.00 H new ATOM 211 N CYS A 14 10.662 4.928 -0.064 1.00 0.00 N ATOM 212 CA CYS A 14 9.802 4.123 -0.921 1.00 0.00 C ATOM 213 C CYS A 14 8.423 4.039 -0.258 1.00 0.00 C ATOM 214 O CYS A 14 7.396 4.297 -0.893 1.00 0.00 O ATOM 215 CB CYS A 14 10.365 2.696 -1.095 1.00 0.00 C ATOM 216 SG CYS A 14 12.145 2.666 -1.454 1.00 0.00 S ATOM 0 H CYS A 14 11.470 4.428 0.307 1.00 0.00 H new ATOM 0 HA CYS A 14 9.742 4.586 -1.906 1.00 0.00 H new ATOM 0 HB2 CYS A 14 10.175 2.124 -0.187 1.00 0.00 H new ATOM 0 HB3 CYS A 14 9.830 2.198 -1.903 1.00 0.00 H new ATOM 0 HG CYS A 14 12.795 3.215 -0.471 1.00 0.00 H new ATOM 222 N VAL A 15 8.423 3.683 1.032 1.00 0.00 N ATOM 223 CA VAL A 15 7.243 3.518 1.861 1.00 0.00 C ATOM 224 C VAL A 15 6.385 4.778 1.832 1.00 0.00 C ATOM 225 O VAL A 15 5.222 4.702 1.443 1.00 0.00 O ATOM 226 CB VAL A 15 7.676 3.064 3.273 1.00 0.00 C ATOM 227 CG1 VAL A 15 6.616 3.274 4.361 1.00 0.00 C ATOM 228 CG2 VAL A 15 8.034 1.573 3.220 1.00 0.00 C ATOM 0 H VAL A 15 9.287 3.496 1.540 1.00 0.00 H new ATOM 0 HA VAL A 15 6.598 2.732 1.467 1.00 0.00 H new ATOM 0 HB VAL A 15 8.527 3.687 3.548 1.00 0.00 H new ATOM 0 HG11 VAL A 15 7.004 2.928 5.319 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.371 4.334 4.430 1.00 0.00 H new ATOM 0 HG13 VAL A 15 5.718 2.710 4.108 1.00 0.00 H new ATOM 0 HG21 VAL A 15 8.342 1.237 4.210 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.164 1.001 2.897 1.00 0.00 H new ATOM 0 HG23 VAL A 15 8.851 1.420 2.515 1.00 0.00 H new ATOM 238 N MET A 16 6.936 5.945 2.184 1.00 0.00 N ATOM 239 CA MET A 16 6.141 7.166 2.191 1.00 0.00 C ATOM 240 C MET A 16 5.514 7.468 0.827 1.00 0.00 C ATOM 241 O MET A 16 4.403 7.994 0.793 1.00 0.00 O ATOM 242 CB MET A 16 6.923 8.351 2.769 1.00 0.00 C ATOM 243 CG MET A 16 8.115 8.838 1.936 1.00 0.00 C ATOM 244 SD MET A 16 8.215 10.632 1.679 1.00 0.00 S ATOM 245 CE MET A 16 6.928 10.836 0.413 1.00 0.00 C ATOM 0 H MET A 16 7.910 6.064 2.462 1.00 0.00 H new ATOM 0 HA MET A 16 5.301 6.994 2.865 1.00 0.00 H new ATOM 0 HB2 MET A 16 6.234 9.185 2.904 1.00 0.00 H new ATOM 0 HB3 MET A 16 7.285 8.074 3.759 1.00 0.00 H new ATOM 0 HG2 MET A 16 9.033 8.507 2.421 1.00 0.00 H new ATOM 0 HG3 MET A 16 8.077 8.351 0.961 1.00 0.00 H new ATOM 0 HE1 MET A 16 6.854 11.888 0.136 1.00 0.00 H new ATOM 0 HE2 MET A 16 7.186 10.246 -0.467 1.00 0.00 H new ATOM 0 HE3 MET A 16 5.971 10.497 0.809 1.00 0.00 H new ATOM 255 N ALA A 17 6.186 7.152 -0.285 1.00 0.00 N ATOM 256 CA ALA A 17 5.638 7.400 -1.609 1.00 0.00 C ATOM 257 C ALA A 17 4.431 6.492 -1.846 1.00 0.00 C ATOM 258 O ALA A 17 3.354 6.981 -2.192 1.00 0.00 O ATOM 259 CB ALA A 17 6.698 7.156 -2.686 1.00 0.00 C ATOM 0 H ALA A 17 7.112 6.723 -0.287 1.00 0.00 H new ATOM 0 HA ALA A 17 5.322 8.442 -1.667 1.00 0.00 H new ATOM 0 HB1 ALA A 17 6.268 7.347 -3.669 1.00 0.00 H new ATOM 0 HB2 ALA A 17 7.543 7.825 -2.523 1.00 0.00 H new ATOM 0 HB3 ALA A 17 7.039 6.122 -2.634 1.00 0.00 H new ATOM 265 N VAL A 18 4.586 5.180 -1.631 1.00 0.00 N ATOM 266 CA VAL A 18 3.491 4.244 -1.850 1.00 0.00 C ATOM 267 C VAL A 18 2.309 4.573 -0.941 1.00 0.00 C ATOM 268 O VAL A 18 1.167 4.534 -1.395 1.00 0.00 O ATOM 269 CB VAL A 18 3.980 2.787 -1.841 1.00 0.00 C ATOM 270 CG1 VAL A 18 4.185 2.125 -0.480 1.00 0.00 C ATOM 271 CG2 VAL A 18 2.997 1.942 -2.645 1.00 0.00 C ATOM 0 H VAL A 18 5.453 4.751 -1.308 1.00 0.00 H new ATOM 0 HA VAL A 18 3.094 4.365 -2.858 1.00 0.00 H new ATOM 0 HB VAL A 18 4.980 2.835 -2.273 1.00 0.00 H new ATOM 0 HG11 VAL A 18 4.531 1.101 -0.622 1.00 0.00 H new ATOM 0 HG12 VAL A 18 4.929 2.684 0.088 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.242 2.117 0.067 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.329 0.904 -2.649 1.00 0.00 H new ATOM 0 HG22 VAL A 18 2.008 2.005 -2.192 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.951 2.313 -3.669 1.00 0.00 H new ATOM 281 N THR A 19 2.550 4.983 0.307 1.00 0.00 N ATOM 282 CA THR A 19 1.478 5.362 1.224 1.00 0.00 C ATOM 283 C THR A 19 0.639 6.473 0.575 1.00 0.00 C ATOM 284 O THR A 19 -0.593 6.415 0.561 1.00 0.00 O ATOM 285 CB THR A 19 2.073 5.880 2.546 1.00 0.00 C ATOM 286 OG1 THR A 19 2.835 4.896 3.209 1.00 0.00 O ATOM 287 CG2 THR A 19 0.973 6.347 3.499 1.00 0.00 C ATOM 0 H THR A 19 3.486 5.060 0.705 1.00 0.00 H new ATOM 0 HA THR A 19 0.854 4.493 1.432 1.00 0.00 H new ATOM 0 HB THR A 19 2.721 6.714 2.277 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.658 4.725 2.705 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.422 6.708 4.424 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.406 7.153 3.033 1.00 0.00 H new ATOM 0 HG23 THR A 19 0.305 5.514 3.720 1.00 0.00 H new ATOM 295 N LYS A 20 1.304 7.510 0.056 1.00 0.00 N ATOM 296 CA LYS A 20 0.643 8.641 -0.579 1.00 0.00 C ATOM 297 C LYS A 20 -0.084 8.221 -1.852 1.00 0.00 C ATOM 298 O LYS A 20 -1.149 8.769 -2.135 1.00 0.00 O ATOM 299 CB LYS A 20 1.664 9.768 -0.789 1.00 0.00 C ATOM 300 CG LYS A 20 2.199 10.339 0.536 1.00 0.00 C ATOM 301 CD LYS A 20 1.158 11.101 1.364 1.00 0.00 C ATOM 302 CE LYS A 20 1.839 11.749 2.570 1.00 0.00 C ATOM 303 NZ LYS A 20 2.500 13.013 2.191 1.00 0.00 N ATOM 0 H LYS A 20 2.321 7.583 0.068 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.140 9.029 0.073 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.498 9.391 -1.381 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.201 10.569 -1.365 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.595 9.520 1.137 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.033 11.007 0.319 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.678 11.864 0.751 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.375 10.421 1.698 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.101 11.940 3.349 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.574 11.062 2.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 3.326 13.170 2.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 2.809 12.960 1.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.831 13.802 2.303 1.00 0.00 H new ATOM 317 N ALA A 21 0.436 7.262 -2.613 1.00 0.00 N ATOM 318 CA ALA A 21 -0.219 6.782 -3.820 1.00 0.00 C ATOM 319 C ALA A 21 -1.477 6.003 -3.413 1.00 0.00 C ATOM 320 O ALA A 21 -2.533 6.166 -4.012 1.00 0.00 O ATOM 321 CB ALA A 21 0.739 5.900 -4.622 1.00 0.00 C ATOM 0 H ALA A 21 1.321 6.798 -2.409 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.505 7.621 -4.454 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.239 5.546 -5.523 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.620 6.478 -4.899 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.041 5.046 -4.016 1.00 0.00 H new ATOM 327 N LEU A 22 -1.408 5.186 -2.357 1.00 0.00 N ATOM 328 CA LEU A 22 -2.537 4.385 -1.876 1.00 0.00 C ATOM 329 C LEU A 22 -3.696 5.299 -1.474 1.00 0.00 C ATOM 330 O LEU A 22 -4.849 5.019 -1.787 1.00 0.00 O ATOM 331 CB LEU A 22 -2.074 3.437 -0.751 1.00 0.00 C ATOM 332 CG LEU A 22 -1.398 2.175 -1.334 1.00 0.00 C ATOM 333 CD1 LEU A 22 -0.414 1.518 -0.362 1.00 0.00 C ATOM 334 CD2 LEU A 22 -2.449 1.119 -1.681 1.00 0.00 C ATOM 0 H LEU A 22 -0.558 5.061 -1.807 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.914 3.747 -2.676 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.376 3.958 -0.096 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.929 3.147 -0.140 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.856 2.516 -2.217 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.027 0.638 -0.830 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.374 2.227 -0.107 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.942 1.221 0.544 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.957 0.237 -2.090 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.999 0.843 -0.781 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.141 1.524 -2.419 1.00 0.00 H new ATOM 346 N LYS A 23 -3.403 6.442 -0.849 1.00 0.00 N ATOM 347 CA LYS A 23 -4.410 7.422 -0.430 1.00 0.00 C ATOM 348 C LYS A 23 -5.152 8.081 -1.598 1.00 0.00 C ATOM 349 O LYS A 23 -6.165 8.749 -1.376 1.00 0.00 O ATOM 350 CB LYS A 23 -3.735 8.502 0.421 1.00 0.00 C ATOM 351 CG LYS A 23 -3.403 8.008 1.831 1.00 0.00 C ATOM 352 CD LYS A 23 -2.627 9.092 2.578 1.00 0.00 C ATOM 353 CE LYS A 23 -2.584 8.788 4.080 1.00 0.00 C ATOM 354 NZ LYS A 23 -2.558 10.023 4.890 1.00 0.00 N ATOM 0 H LYS A 23 -2.449 6.717 -0.617 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.160 6.878 0.144 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.820 8.830 -0.072 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.390 9.371 0.488 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.320 7.765 2.369 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.813 7.093 1.778 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.612 9.156 2.185 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.095 10.062 2.411 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.454 8.191 4.355 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.702 8.188 4.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.529 9.775 5.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.715 10.580 4.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -3.412 10.584 4.695 1.00 0.00 H new ATOM 368 N LYS A 24 -4.658 7.954 -2.833 1.00 0.00 N ATOM 369 CA LYS A 24 -5.306 8.536 -4.006 1.00 0.00 C ATOM 370 C LYS A 24 -6.616 7.817 -4.311 1.00 0.00 C ATOM 371 O LYS A 24 -7.508 8.421 -4.914 1.00 0.00 O ATOM 372 CB LYS A 24 -4.406 8.363 -5.239 1.00 0.00 C ATOM 373 CG LYS A 24 -3.016 9.017 -5.157 1.00 0.00 C ATOM 374 CD LYS A 24 -3.041 10.541 -5.225 1.00 0.00 C ATOM 375 CE LYS A 24 -3.458 10.998 -6.624 1.00 0.00 C ATOM 376 NZ LYS A 24 -3.871 12.411 -6.624 1.00 0.00 N ATOM 0 H LYS A 24 -3.799 7.446 -3.045 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.489 9.589 -3.792 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.274 7.296 -5.421 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.927 8.771 -6.105 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.537 8.713 -4.226 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.399 8.637 -5.971 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.736 10.935 -4.483 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.056 10.940 -4.982 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.628 10.860 -7.317 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -4.279 10.377 -6.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -4.148 12.692 -7.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.678 12.537 -5.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.079 13.004 -6.305 1.00 0.00 H new ATOM 390 N VAL A 25 -6.718 6.545 -3.935 1.00 0.00 N ATOM 391 CA VAL A 25 -7.879 5.706 -4.167 1.00 0.00 C ATOM 392 C VAL A 25 -9.117 6.282 -3.465 1.00 0.00 C ATOM 393 O VAL A 25 -9.028 6.656 -2.290 1.00 0.00 O ATOM 394 CB VAL A 25 -7.525 4.286 -3.700 1.00 0.00 C ATOM 395 CG1 VAL A 25 -8.703 3.321 -3.793 1.00 0.00 C ATOM 396 CG2 VAL A 25 -6.355 3.663 -4.470 1.00 0.00 C ATOM 0 H VAL A 25 -5.967 6.059 -3.445 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.137 5.673 -5.226 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.237 4.424 -2.658 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -8.393 2.334 -3.450 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.520 3.682 -3.168 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.039 3.256 -4.828 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.160 2.661 -4.088 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.606 3.605 -5.529 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.465 4.280 -4.342 1.00 0.00 H new ATOM 406 N PRO A 26 -10.274 6.343 -4.154 1.00 0.00 N ATOM 407 CA PRO A 26 -11.510 6.862 -3.592 1.00 0.00 C ATOM 408 C PRO A 26 -11.993 5.969 -2.451 1.00 0.00 C ATOM 409 O PRO A 26 -12.461 4.850 -2.666 1.00 0.00 O ATOM 410 CB PRO A 26 -12.511 6.938 -4.748 1.00 0.00 C ATOM 411 CG PRO A 26 -12.021 5.855 -5.697 1.00 0.00 C ATOM 412 CD PRO A 26 -10.506 5.932 -5.534 1.00 0.00 C ATOM 0 HA PRO A 26 -11.377 7.851 -3.154 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -13.531 6.749 -4.412 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -12.508 7.920 -5.221 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -12.409 4.873 -5.426 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -12.329 6.047 -6.725 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -10.041 4.967 -5.738 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -10.074 6.648 -6.233 1.00 0.00 H new ATOM 420 N GLY A 27 -11.875 6.476 -1.231 1.00 0.00 N ATOM 421 CA GLY A 27 -12.296 5.785 -0.021 1.00 0.00 C ATOM 422 C GLY A 27 -11.144 5.488 0.925 1.00 0.00 C ATOM 423 O GLY A 27 -11.377 4.934 2.001 1.00 0.00 O ATOM 0 H GLY A 27 -11.476 7.397 -1.052 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -13.038 6.392 0.498 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -12.784 4.850 -0.295 1.00 0.00 H new ATOM 427 N VAL A 28 -9.903 5.819 0.565 1.00 0.00 N ATOM 428 CA VAL A 28 -8.761 5.567 1.430 1.00 0.00 C ATOM 429 C VAL A 28 -8.556 6.721 2.392 1.00 0.00 C ATOM 430 O VAL A 28 -7.929 7.734 2.093 1.00 0.00 O ATOM 431 CB VAL A 28 -7.502 5.222 0.633 1.00 0.00 C ATOM 432 CG1 VAL A 28 -6.325 4.950 1.576 1.00 0.00 C ATOM 433 CG2 VAL A 28 -7.756 3.937 -0.143 1.00 0.00 C ATOM 0 H VAL A 28 -9.668 6.263 -0.323 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.977 4.683 2.030 1.00 0.00 H new ATOM 0 HB VAL A 28 -7.269 6.059 -0.026 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.438 4.706 0.991 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.129 5.837 2.179 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.569 4.113 2.230 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.867 3.677 -0.717 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.987 3.131 0.553 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.597 4.082 -0.822 1.00 0.00 H new ATOM 443 N GLU A 29 -9.067 6.509 3.591 1.00 0.00 N ATOM 444 CA GLU A 29 -8.992 7.447 4.688 1.00 0.00 C ATOM 445 C GLU A 29 -7.588 7.421 5.287 1.00 0.00 C ATOM 446 O GLU A 29 -7.007 8.476 5.541 1.00 0.00 O ATOM 447 CB GLU A 29 -10.053 7.053 5.719 1.00 0.00 C ATOM 448 CG GLU A 29 -11.472 7.190 5.144 1.00 0.00 C ATOM 449 CD GLU A 29 -11.921 8.636 4.898 1.00 0.00 C ATOM 450 OE1 GLU A 29 -11.172 9.590 5.213 1.00 0.00 O ATOM 451 OE2 GLU A 29 -13.038 8.822 4.368 1.00 0.00 O ATOM 0 H GLU A 29 -9.561 5.650 3.832 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.185 8.465 4.350 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.887 6.025 6.040 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.955 7.683 6.603 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -11.524 6.642 4.203 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -12.175 6.716 5.829 1.00 0.00 H new ATOM 458 N LYS A 30 -7.005 6.235 5.495 1.00 0.00 N ATOM 459 CA LYS A 30 -5.673 6.102 6.064 1.00 0.00 C ATOM 460 C LYS A 30 -5.060 4.798 5.578 1.00 0.00 C ATOM 461 O LYS A 30 -5.783 3.908 5.112 1.00 0.00 O ATOM 462 CB LYS A 30 -5.813 6.157 7.593 1.00 0.00 C ATOM 463 CG LYS A 30 -4.538 6.559 8.338 1.00 0.00 C ATOM 464 CD LYS A 30 -4.847 6.819 9.819 1.00 0.00 C ATOM 465 CE LYS A 30 -5.580 8.149 10.025 1.00 0.00 C ATOM 466 NZ LYS A 30 -7.009 7.971 10.341 1.00 0.00 N ATOM 0 H LYS A 30 -7.449 5.344 5.271 1.00 0.00 H new ATOM 0 HA LYS A 30 -5.008 6.907 5.751 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.604 6.863 7.847 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -6.133 5.178 7.950 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -3.792 5.770 8.248 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -4.111 7.454 7.886 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -5.456 6.004 10.211 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.917 6.825 10.388 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -5.100 8.702 10.833 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -5.485 8.755 9.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -7.540 8.809 10.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -7.371 7.129 9.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -7.125 7.849 11.367 1.00 0.00 H new ATOM 480 N VAL A 31 -3.734 4.723 5.628 1.00 0.00 N ATOM 481 CA VAL A 31 -2.947 3.573 5.227 1.00 0.00 C ATOM 482 C VAL A 31 -1.835 3.480 6.261 1.00 0.00 C ATOM 483 O VAL A 31 -1.296 4.506 6.693 1.00 0.00 O ATOM 484 CB VAL A 31 -2.335 3.728 3.817 1.00 0.00 C ATOM 485 CG1 VAL A 31 -1.864 2.421 3.178 1.00 0.00 C ATOM 486 CG2 VAL A 31 -3.258 4.419 2.809 1.00 0.00 C ATOM 0 H VAL A 31 -3.159 5.496 5.963 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.573 2.682 5.180 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.470 4.359 4.022 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.449 2.627 2.191 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.098 1.965 3.805 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.708 1.738 3.081 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.756 4.489 1.844 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.175 3.840 2.699 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.501 5.420 3.165 1.00 0.00 H new ATOM 496 N GLU A 32 -1.444 2.269 6.623 1.00 0.00 N ATOM 497 CA GLU A 32 -0.407 1.987 7.591 1.00 0.00 C ATOM 498 C GLU A 32 0.595 1.049 6.934 1.00 0.00 C ATOM 499 O GLU A 32 0.447 -0.176 6.975 1.00 0.00 O ATOM 500 CB GLU A 32 -1.039 1.447 8.885 1.00 0.00 C ATOM 501 CG GLU A 32 -1.022 2.509 9.985 1.00 0.00 C ATOM 502 CD GLU A 32 0.411 2.764 10.452 1.00 0.00 C ATOM 503 OE1 GLU A 32 0.922 1.994 11.295 1.00 0.00 O ATOM 504 OE2 GLU A 32 1.051 3.724 9.964 1.00 0.00 O ATOM 0 H GLU A 32 -1.860 1.424 6.232 1.00 0.00 H new ATOM 0 HA GLU A 32 0.137 2.882 7.892 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.065 1.135 8.691 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.495 0.563 9.219 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.461 3.435 9.613 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -1.633 2.182 10.826 1.00 0.00 H new ATOM 511 N VAL A 33 1.569 1.638 6.246 1.00 0.00 N ATOM 512 CA VAL A 33 2.627 0.916 5.560 1.00 0.00 C ATOM 513 C VAL A 33 3.785 0.763 6.552 1.00 0.00 C ATOM 514 O VAL A 33 4.035 1.661 7.373 1.00 0.00 O ATOM 515 CB VAL A 33 3.006 1.636 4.246 1.00 0.00 C ATOM 516 CG1 VAL A 33 3.938 0.783 3.370 1.00 0.00 C ATOM 517 CG2 VAL A 33 1.762 1.980 3.404 1.00 0.00 C ATOM 0 H VAL A 33 1.643 2.651 6.150 1.00 0.00 H new ATOM 0 HA VAL A 33 2.312 -0.080 5.249 1.00 0.00 H new ATOM 0 HB VAL A 33 3.517 2.549 4.551 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.179 1.328 2.457 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.856 0.568 3.917 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.441 -0.153 3.114 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.070 2.485 2.489 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.229 1.063 3.151 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.105 2.635 3.976 1.00 0.00 H new ATOM 527 N SER A 34 4.500 -0.360 6.463 1.00 0.00 N ATOM 528 CA SER A 34 5.613 -0.692 7.324 1.00 0.00 C ATOM 529 C SER A 34 6.742 -1.343 6.539 1.00 0.00 C ATOM 530 O SER A 34 6.525 -2.372 5.901 1.00 0.00 O ATOM 531 CB SER A 34 5.103 -1.648 8.396 1.00 0.00 C ATOM 532 OG SER A 34 4.151 -1.051 9.254 1.00 0.00 O ATOM 0 H SER A 34 4.307 -1.079 5.765 1.00 0.00 H new ATOM 0 HA SER A 34 6.012 0.217 7.774 1.00 0.00 H new ATOM 0 HB2 SER A 34 4.657 -2.520 7.917 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.945 -2.006 8.988 1.00 0.00 H new ATOM 0 HG SER A 34 4.481 -1.076 10.176 1.00 0.00 H new ATOM 538 N LEU A 35 7.943 -0.756 6.574 1.00 0.00 N ATOM 539 CA LEU A 35 9.101 -1.311 5.873 1.00 0.00 C ATOM 540 C LEU A 35 9.534 -2.616 6.545 1.00 0.00 C ATOM 541 O LEU A 35 9.853 -3.576 5.848 1.00 0.00 O ATOM 542 CB LEU A 35 10.266 -0.306 5.874 1.00 0.00 C ATOM 543 CG LEU A 35 11.477 -0.752 5.032 1.00 0.00 C ATOM 544 CD1 LEU A 35 11.163 -0.842 3.533 1.00 0.00 C ATOM 545 CD2 LEU A 35 12.597 0.270 5.234 1.00 0.00 C ATOM 0 H LEU A 35 8.137 0.106 7.083 1.00 0.00 H new ATOM 0 HA LEU A 35 8.821 -1.513 4.839 1.00 0.00 H new ATOM 0 HB2 LEU A 35 9.907 0.652 5.497 1.00 0.00 H new ATOM 0 HB3 LEU A 35 10.591 -0.143 6.902 1.00 0.00 H new ATOM 0 HG LEU A 35 11.764 -1.750 5.363 1.00 0.00 H new ATOM 0 HD11 LEU A 35 12.055 -1.161 2.993 1.00 0.00 H new ATOM 0 HD12 LEU A 35 10.363 -1.565 3.372 1.00 0.00 H new ATOM 0 HD13 LEU A 35 10.848 0.136 3.168 1.00 0.00 H new ATOM 0 HD21 LEU A 35 13.468 -0.023 4.647 1.00 0.00 H new ATOM 0 HD22 LEU A 35 12.255 1.253 4.910 1.00 0.00 H new ATOM 0 HD23 LEU A 35 12.867 0.310 6.289 1.00 0.00 H new ATOM 557 N GLU A 36 9.493 -2.651 7.882 1.00 0.00 N ATOM 558 CA GLU A 36 9.869 -3.797 8.712 1.00 0.00 C ATOM 559 C GLU A 36 9.022 -5.039 8.417 1.00 0.00 C ATOM 560 O GLU A 36 9.501 -6.159 8.560 1.00 0.00 O ATOM 561 CB GLU A 36 9.787 -3.394 10.198 1.00 0.00 C ATOM 562 CG GLU A 36 8.359 -3.244 10.749 1.00 0.00 C ATOM 563 CD GLU A 36 8.262 -2.445 12.054 1.00 0.00 C ATOM 564 OE1 GLU A 36 8.996 -2.751 13.021 1.00 0.00 O ATOM 565 OE2 GLU A 36 7.414 -1.518 12.111 1.00 0.00 O ATOM 0 H GLU A 36 9.185 -1.851 8.435 1.00 0.00 H new ATOM 0 HA GLU A 36 10.895 -4.074 8.469 1.00 0.00 H new ATOM 0 HB2 GLU A 36 10.314 -4.141 10.792 1.00 0.00 H new ATOM 0 HB3 GLU A 36 10.314 -2.450 10.333 1.00 0.00 H new ATOM 0 HG2 GLU A 36 7.741 -2.759 9.994 1.00 0.00 H new ATOM 0 HG3 GLU A 36 7.940 -4.237 10.914 1.00 0.00 H new ATOM 572 N LYS A 37 7.773 -4.835 7.988 1.00 0.00 N ATOM 573 CA LYS A 37 6.827 -5.897 7.658 1.00 0.00 C ATOM 574 C LYS A 37 6.665 -6.125 6.159 1.00 0.00 C ATOM 575 O LYS A 37 6.423 -7.256 5.759 1.00 0.00 O ATOM 576 CB LYS A 37 5.446 -5.555 8.232 1.00 0.00 C ATOM 577 CG LYS A 37 5.421 -5.530 9.764 1.00 0.00 C ATOM 578 CD LYS A 37 4.017 -5.383 10.344 1.00 0.00 C ATOM 579 CE LYS A 37 3.415 -4.016 10.017 1.00 0.00 C ATOM 580 NZ LYS A 37 2.077 -3.810 10.603 1.00 0.00 N ATOM 0 H LYS A 37 7.385 -3.901 7.858 1.00 0.00 H new ATOM 0 HA LYS A 37 7.235 -6.809 8.094 1.00 0.00 H new ATOM 0 HB2 LYS A 37 5.133 -4.582 7.854 1.00 0.00 H new ATOM 0 HB3 LYS A 37 4.720 -6.285 7.875 1.00 0.00 H new ATOM 0 HG2 LYS A 37 5.868 -6.449 10.143 1.00 0.00 H new ATOM 0 HG3 LYS A 37 6.040 -4.705 10.117 1.00 0.00 H new ATOM 0 HD2 LYS A 37 3.374 -6.169 9.947 1.00 0.00 H new ATOM 0 HD3 LYS A 37 4.053 -5.516 11.425 1.00 0.00 H new ATOM 0 HE2 LYS A 37 4.086 -3.236 10.378 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.350 -3.905 8.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 1.726 -2.866 10.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 1.424 -4.534 10.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 2.136 -3.885 11.639 1.00 0.00 H new ATOM 594 N GLY A 38 6.819 -5.097 5.321 1.00 0.00 N ATOM 595 CA GLY A 38 6.634 -5.229 3.883 1.00 0.00 C ATOM 596 C GLY A 38 5.133 -5.212 3.562 1.00 0.00 C ATOM 597 O GLY A 38 4.715 -5.695 2.511 1.00 0.00 O ATOM 0 H GLY A 38 7.074 -4.157 5.623 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.138 -4.414 3.363 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.083 -6.158 3.531 1.00 0.00 H new ATOM 601 N GLU A 39 4.299 -4.661 4.453 1.00 0.00 N ATOM 602 CA GLU A 39 2.852 -4.611 4.279 1.00 0.00 C ATOM 603 C GLU A 39 2.335 -3.177 4.251 1.00 0.00 C ATOM 604 O GLU A 39 3.000 -2.247 4.716 1.00 0.00 O ATOM 605 CB GLU A 39 2.170 -5.393 5.421 1.00 0.00 C ATOM 606 CG GLU A 39 2.000 -6.885 5.142 1.00 0.00 C ATOM 607 CD GLU A 39 3.230 -7.740 5.440 1.00 0.00 C ATOM 608 OE1 GLU A 39 3.442 -8.062 6.631 1.00 0.00 O ATOM 609 OE2 GLU A 39 3.786 -8.334 4.487 1.00 0.00 O ATOM 0 H GLU A 39 4.619 -4.234 5.322 1.00 0.00 H new ATOM 0 HA GLU A 39 2.611 -5.067 3.319 1.00 0.00 H new ATOM 0 HB2 GLU A 39 2.756 -5.269 6.332 1.00 0.00 H new ATOM 0 HB3 GLU A 39 1.190 -4.956 5.611 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.165 -7.258 5.735 1.00 0.00 H new ATOM 0 HG3 GLU A 39 1.730 -7.015 4.094 1.00 0.00 H new ATOM 616 N ALA A 40 1.116 -3.024 3.729 1.00 0.00 N ATOM 617 CA ALA A 40 0.369 -1.789 3.597 1.00 0.00 C ATOM 618 C ALA A 40 -1.054 -2.091 4.055 1.00 0.00 C ATOM 619 O ALA A 40 -1.763 -2.851 3.392 1.00 0.00 O ATOM 620 CB ALA A 40 0.427 -1.298 2.149 1.00 0.00 C ATOM 0 H ALA A 40 0.596 -3.822 3.364 1.00 0.00 H new ATOM 0 HA ALA A 40 0.786 -0.988 4.207 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.136 -0.369 2.057 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.465 -1.122 1.866 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.006 -2.052 1.492 1.00 0.00 H new ATOM 626 N LEU A 41 -1.456 -1.582 5.216 1.00 0.00 N ATOM 627 CA LEU A 41 -2.798 -1.811 5.757 1.00 0.00 C ATOM 628 C LEU A 41 -3.637 -0.604 5.359 1.00 0.00 C ATOM 629 O LEU A 41 -3.067 0.476 5.225 1.00 0.00 O ATOM 630 CB LEU A 41 -2.753 -1.955 7.291 1.00 0.00 C ATOM 631 CG LEU A 41 -2.402 -3.349 7.856 1.00 0.00 C ATOM 632 CD1 LEU A 41 -3.550 -4.348 7.712 1.00 0.00 C ATOM 633 CD2 LEU A 41 -1.150 -3.977 7.235 1.00 0.00 C ATOM 0 H LEU A 41 -0.865 -1.000 5.809 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.224 -2.734 5.364 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.026 -1.241 7.677 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.726 -1.665 7.687 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.206 -3.153 8.910 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.249 -5.311 8.125 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.423 -3.979 8.251 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.798 -4.468 6.657 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.972 -4.954 7.685 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.296 -4.093 6.161 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.291 -3.331 7.417 1.00 0.00 H new ATOM 645 N VAL A 42 -4.951 -0.738 5.181 1.00 0.00 N ATOM 646 CA VAL A 42 -5.823 0.369 4.794 1.00 0.00 C ATOM 647 C VAL A 42 -6.987 0.443 5.765 1.00 0.00 C ATOM 648 O VAL A 42 -7.731 -0.523 5.914 1.00 0.00 O ATOM 649 CB VAL A 42 -6.299 0.177 3.343 1.00 0.00 C ATOM 650 CG1 VAL A 42 -7.442 1.120 2.932 1.00 0.00 C ATOM 651 CG2 VAL A 42 -5.139 0.395 2.374 1.00 0.00 C ATOM 0 H VAL A 42 -5.443 -1.623 5.302 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.280 1.313 4.837 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.677 -0.844 3.296 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.721 0.924 1.897 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -8.303 0.951 3.579 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -7.113 2.155 3.029 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.489 0.256 1.351 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.752 1.407 2.491 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.347 -0.323 2.587 1.00 0.00 H new ATOM 661 N GLU A 43 -7.180 1.608 6.380 1.00 0.00 N ATOM 662 CA GLU A 43 -8.267 1.841 7.324 1.00 0.00 C ATOM 663 C GLU A 43 -9.517 2.311 6.556 1.00 0.00 C ATOM 664 O GLU A 43 -10.618 2.314 7.102 1.00 0.00 O ATOM 665 CB GLU A 43 -7.792 2.869 8.365 1.00 0.00 C ATOM 666 CG GLU A 43 -8.339 2.639 9.781 1.00 0.00 C ATOM 667 CD GLU A 43 -9.776 3.125 9.967 1.00 0.00 C ATOM 668 OE1 GLU A 43 -10.023 4.339 9.779 1.00 0.00 O ATOM 669 OE2 GLU A 43 -10.649 2.303 10.318 1.00 0.00 O ATOM 0 H GLU A 43 -6.582 2.421 6.235 1.00 0.00 H new ATOM 0 HA GLU A 43 -8.540 0.927 7.851 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.703 2.853 8.403 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.085 3.865 8.033 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.291 1.575 10.012 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.696 3.150 10.498 1.00 0.00 H new ATOM 676 N GLY A 44 -9.359 2.694 5.284 1.00 0.00 N ATOM 677 CA GLY A 44 -10.419 3.164 4.401 1.00 0.00 C ATOM 678 C GLY A 44 -11.417 2.078 3.984 1.00 0.00 C ATOM 679 O GLY A 44 -11.301 0.919 4.380 1.00 0.00 O ATOM 0 H GLY A 44 -8.447 2.682 4.827 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -10.961 3.968 4.899 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -9.968 3.590 3.505 1.00 0.00 H new ATOM 683 N THR A 45 -12.363 2.456 3.127 1.00 0.00 N ATOM 684 CA THR A 45 -13.451 1.626 2.604 1.00 0.00 C ATOM 685 C THR A 45 -13.231 1.148 1.161 1.00 0.00 C ATOM 686 O THR A 45 -13.966 0.300 0.648 1.00 0.00 O ATOM 687 CB THR A 45 -14.738 2.466 2.804 1.00 0.00 C ATOM 688 OG1 THR A 45 -15.936 1.790 2.484 1.00 0.00 O ATOM 689 CG2 THR A 45 -14.716 3.778 2.004 1.00 0.00 C ATOM 0 H THR A 45 -12.394 3.406 2.756 1.00 0.00 H new ATOM 0 HA THR A 45 -13.517 0.680 3.142 1.00 0.00 H new ATOM 0 HB THR A 45 -14.734 2.670 3.875 1.00 0.00 H new ATOM 0 HG1 THR A 45 -15.756 1.112 1.800 1.00 0.00 H new ATOM 0 HG21 THR A 45 -15.641 4.327 2.180 1.00 0.00 H new ATOM 0 HG22 THR A 45 -13.868 4.384 2.322 1.00 0.00 H new ATOM 0 HG23 THR A 45 -14.624 3.555 0.941 1.00 0.00 H new ATOM 697 N ALA A 46 -12.171 1.654 0.538 1.00 0.00 N ATOM 698 CA ALA A 46 -11.757 1.389 -0.836 1.00 0.00 C ATOM 699 C ALA A 46 -11.648 -0.098 -1.222 1.00 0.00 C ATOM 700 O ALA A 46 -11.442 -0.956 -0.360 1.00 0.00 O ATOM 701 CB ALA A 46 -10.406 2.049 -1.057 1.00 0.00 C ATOM 0 H ALA A 46 -11.538 2.301 1.009 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.544 1.796 -1.471 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.074 1.865 -2.079 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.494 3.123 -0.892 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.679 1.633 -0.359 1.00 0.00 H new ATOM 707 N ASP A 47 -11.724 -0.394 -2.527 1.00 0.00 N ATOM 708 CA ASP A 47 -11.629 -1.759 -3.052 1.00 0.00 C ATOM 709 C ASP A 47 -10.163 -2.187 -3.153 1.00 0.00 C ATOM 710 O ASP A 47 -9.300 -1.383 -3.528 1.00 0.00 O ATOM 711 CB ASP A 47 -12.231 -1.879 -4.462 1.00 0.00 C ATOM 712 CG ASP A 47 -13.671 -2.378 -4.449 1.00 0.00 C ATOM 713 OD1 ASP A 47 -13.874 -3.597 -4.258 1.00 0.00 O ATOM 714 OD2 ASP A 47 -14.615 -1.575 -4.677 1.00 0.00 O ATOM 0 H ASP A 47 -11.854 0.313 -3.251 1.00 0.00 H new ATOM 0 HA ASP A 47 -12.184 -2.394 -2.361 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -12.193 -0.906 -4.952 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -11.621 -2.560 -5.056 1.00 0.00 H new ATOM 719 N PRO A 48 -9.848 -3.477 -2.939 1.00 0.00 N ATOM 720 CA PRO A 48 -8.476 -3.954 -3.022 1.00 0.00 C ATOM 721 C PRO A 48 -7.873 -3.834 -4.422 1.00 0.00 C ATOM 722 O PRO A 48 -6.686 -3.538 -4.523 1.00 0.00 O ATOM 723 CB PRO A 48 -8.480 -5.392 -2.525 1.00 0.00 C ATOM 724 CG PRO A 48 -9.937 -5.832 -2.579 1.00 0.00 C ATOM 725 CD PRO A 48 -10.743 -4.536 -2.503 1.00 0.00 C ATOM 0 HA PRO A 48 -7.834 -3.327 -2.403 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -7.854 -6.027 -3.152 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -8.086 -5.459 -1.511 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -10.151 -6.377 -3.498 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -10.180 -6.497 -1.750 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -11.625 -4.588 -3.141 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -11.095 -4.355 -1.487 1.00 0.00 H new ATOM 733 N LYS A 49 -8.643 -4.005 -5.503 1.00 0.00 N ATOM 734 CA LYS A 49 -8.074 -3.878 -6.850 1.00 0.00 C ATOM 735 C LYS A 49 -7.515 -2.479 -7.109 1.00 0.00 C ATOM 736 O LYS A 49 -6.457 -2.342 -7.728 1.00 0.00 O ATOM 737 CB LYS A 49 -9.075 -4.310 -7.929 1.00 0.00 C ATOM 738 CG LYS A 49 -10.346 -3.446 -8.008 1.00 0.00 C ATOM 739 CD LYS A 49 -11.343 -4.022 -9.015 1.00 0.00 C ATOM 740 CE LYS A 49 -11.969 -5.305 -8.473 1.00 0.00 C ATOM 741 NZ LYS A 49 -12.715 -6.029 -9.507 1.00 0.00 N ATOM 0 H LYS A 49 -9.638 -4.226 -5.475 1.00 0.00 H new ATOM 0 HA LYS A 49 -7.229 -4.564 -6.906 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -8.576 -4.288 -8.898 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.366 -5.344 -7.743 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -10.811 -3.388 -7.024 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -10.080 -2.429 -8.296 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -12.123 -3.290 -9.223 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -10.838 -4.227 -9.959 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -11.187 -5.949 -8.072 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -12.637 -5.062 -7.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -13.124 -6.894 -9.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -13.478 -5.424 -9.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -12.073 -6.284 -10.284 1.00 0.00 H new ATOM 755 N ALA A 50 -8.211 -1.442 -6.637 1.00 0.00 N ATOM 756 CA ALA A 50 -7.784 -0.063 -6.805 1.00 0.00 C ATOM 757 C ALA A 50 -6.524 0.186 -5.969 1.00 0.00 C ATOM 758 O ALA A 50 -5.630 0.921 -6.391 1.00 0.00 O ATOM 759 CB ALA A 50 -8.932 0.863 -6.400 1.00 0.00 C ATOM 0 H ALA A 50 -9.089 -1.542 -6.127 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.534 0.140 -7.846 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.623 1.901 -6.522 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -9.798 0.666 -7.031 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.194 0.683 -5.357 1.00 0.00 H new ATOM 765 N LEU A 51 -6.454 -0.441 -4.790 1.00 0.00 N ATOM 766 CA LEU A 51 -5.332 -0.350 -3.861 1.00 0.00 C ATOM 767 C LEU A 51 -4.111 -1.008 -4.497 1.00 0.00 C ATOM 768 O LEU A 51 -3.042 -0.408 -4.486 1.00 0.00 O ATOM 769 CB LEU A 51 -5.686 -0.988 -2.509 1.00 0.00 C ATOM 770 CG LEU A 51 -6.664 -0.127 -1.688 1.00 0.00 C ATOM 771 CD1 LEU A 51 -7.330 -0.969 -0.600 1.00 0.00 C ATOM 772 CD2 LEU A 51 -5.938 1.047 -1.033 1.00 0.00 C ATOM 0 H LEU A 51 -7.203 -1.044 -4.449 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.103 0.697 -3.661 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.127 -1.970 -2.679 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.773 -1.143 -1.934 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.422 0.257 -2.371 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.018 -0.346 -0.028 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.880 -1.790 -1.061 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.567 -1.372 0.066 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.650 1.640 -0.459 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.161 0.669 -0.368 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.485 1.670 -1.804 1.00 0.00 H new ATOM 784 N VAL A 52 -4.250 -2.208 -5.069 1.00 0.00 N ATOM 785 CA VAL A 52 -3.144 -2.899 -5.731 1.00 0.00 C ATOM 786 C VAL A 52 -2.635 -1.977 -6.837 1.00 0.00 C ATOM 787 O VAL A 52 -1.436 -1.728 -6.921 1.00 0.00 O ATOM 788 CB VAL A 52 -3.608 -4.260 -6.307 1.00 0.00 C ATOM 789 CG1 VAL A 52 -2.622 -4.868 -7.312 1.00 0.00 C ATOM 790 CG2 VAL A 52 -3.796 -5.308 -5.209 1.00 0.00 C ATOM 0 H VAL A 52 -5.130 -2.724 -5.085 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.346 -3.117 -5.021 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.549 -4.027 -6.806 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.012 -5.820 -7.674 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.492 -4.186 -8.152 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.661 -5.031 -6.825 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.122 -6.248 -5.655 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.851 -5.462 -4.687 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.549 -4.962 -4.501 1.00 0.00 H new ATOM 800 N GLN A 53 -3.542 -1.433 -7.657 1.00 0.00 N ATOM 801 CA GLN A 53 -3.188 -0.541 -8.750 1.00 0.00 C ATOM 802 C GLN A 53 -2.464 0.710 -8.269 1.00 0.00 C ATOM 803 O GLN A 53 -1.692 1.280 -9.028 1.00 0.00 O ATOM 804 CB GLN A 53 -4.449 -0.166 -9.540 1.00 0.00 C ATOM 805 CG GLN A 53 -4.183 0.168 -11.023 1.00 0.00 C ATOM 806 CD GLN A 53 -3.913 -1.014 -11.966 1.00 0.00 C ATOM 807 OE1 GLN A 53 -3.222 -2.068 -11.556 1.00 0.00 O flip ATOM 808 NE2 GLN A 53 -4.337 -0.984 -13.116 1.00 0.00 N flip ATOM 0 H GLN A 53 -4.544 -1.604 -7.575 1.00 0.00 H new ATOM 0 HA GLN A 53 -2.494 -1.073 -9.400 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.159 -0.992 -9.486 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -4.922 0.693 -9.064 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -5.043 0.717 -11.406 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -3.327 0.842 -11.070 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.870 -0.178 -13.442 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.157 -1.765 -13.747 1.00 0.00 H new ATOM 817 N ALA A 54 -2.700 1.161 -7.041 1.00 0.00 N ATOM 818 CA ALA A 54 -2.015 2.343 -6.542 1.00 0.00 C ATOM 819 C ALA A 54 -0.506 2.090 -6.448 1.00 0.00 C ATOM 820 O ALA A 54 0.288 2.988 -6.725 1.00 0.00 O ATOM 821 CB ALA A 54 -2.574 2.767 -5.188 1.00 0.00 C ATOM 0 H ALA A 54 -3.351 0.732 -6.383 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.186 3.157 -7.247 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.045 3.653 -4.837 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.635 2.994 -5.288 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.442 1.957 -4.470 1.00 0.00 H new ATOM 827 N VAL A 55 -0.127 0.873 -6.057 1.00 0.00 N ATOM 828 CA VAL A 55 1.251 0.433 -5.898 1.00 0.00 C ATOM 829 C VAL A 55 1.823 -0.023 -7.237 1.00 0.00 C ATOM 830 O VAL A 55 2.937 0.355 -7.596 1.00 0.00 O ATOM 831 CB VAL A 55 1.286 -0.722 -4.883 1.00 0.00 C ATOM 832 CG1 VAL A 55 2.731 -1.115 -4.567 1.00 0.00 C ATOM 833 CG2 VAL A 55 0.513 -0.399 -3.594 1.00 0.00 C ATOM 0 H VAL A 55 -0.802 0.141 -5.835 1.00 0.00 H new ATOM 0 HA VAL A 55 1.860 1.261 -5.536 1.00 0.00 H new ATOM 0 HB VAL A 55 0.782 -1.570 -5.347 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.736 -1.934 -3.847 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.230 -1.433 -5.482 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.257 -0.258 -4.146 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.570 -1.248 -2.913 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.950 0.478 -3.118 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.531 -0.198 -3.836 1.00 0.00 H new ATOM 843 N GLU A 56 1.044 -0.795 -7.996 1.00 0.00 N ATOM 844 CA GLU A 56 1.430 -1.324 -9.295 1.00 0.00 C ATOM 845 C GLU A 56 1.627 -0.206 -10.330 1.00 0.00 C ATOM 846 O GLU A 56 2.088 -0.488 -11.432 1.00 0.00 O ATOM 847 CB GLU A 56 0.438 -2.412 -9.731 1.00 0.00 C ATOM 848 CG GLU A 56 0.556 -3.703 -8.904 1.00 0.00 C ATOM 849 CD GLU A 56 1.563 -4.733 -9.423 1.00 0.00 C ATOM 850 OE1 GLU A 56 2.478 -4.416 -10.207 1.00 0.00 O ATOM 851 OE2 GLU A 56 1.404 -5.921 -9.051 1.00 0.00 O ATOM 0 H GLU A 56 0.105 -1.074 -7.713 1.00 0.00 H new ATOM 0 HA GLU A 56 2.407 -1.801 -9.214 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.577 -2.025 -9.646 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.603 -2.645 -10.783 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.831 -3.435 -7.884 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.426 -4.174 -8.857 1.00 0.00 H new ATOM 858 N GLU A 57 1.314 1.055 -10.014 1.00 0.00 N ATOM 859 CA GLU A 57 1.513 2.202 -10.896 1.00 0.00 C ATOM 860 C GLU A 57 2.692 3.046 -10.382 1.00 0.00 C ATOM 861 O GLU A 57 3.186 3.916 -11.099 1.00 0.00 O ATOM 862 CB GLU A 57 0.235 3.034 -10.991 1.00 0.00 C ATOM 863 CG GLU A 57 -0.876 2.271 -11.718 1.00 0.00 C ATOM 864 CD GLU A 57 -0.756 2.288 -13.230 1.00 0.00 C ATOM 865 OE1 GLU A 57 -1.301 3.233 -13.843 1.00 0.00 O ATOM 866 OE2 GLU A 57 -0.254 1.292 -13.792 1.00 0.00 O ATOM 0 H GLU A 57 0.905 1.309 -9.115 1.00 0.00 H new ATOM 0 HA GLU A 57 1.749 1.849 -11.900 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -0.101 3.303 -9.990 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.444 3.965 -11.518 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.874 1.236 -11.376 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.839 2.698 -11.436 1.00 0.00 H new ATOM 873 N GLU A 58 3.158 2.821 -9.147 1.00 0.00 N ATOM 874 CA GLU A 58 4.288 3.514 -8.530 1.00 0.00 C ATOM 875 C GLU A 58 5.616 2.852 -8.953 1.00 0.00 C ATOM 876 O GLU A 58 6.685 3.417 -8.703 1.00 0.00 O ATOM 877 CB GLU A 58 4.146 3.485 -6.992 1.00 0.00 C ATOM 878 CG GLU A 58 3.469 4.712 -6.380 1.00 0.00 C ATOM 879 CD GLU A 58 4.287 5.988 -6.578 1.00 0.00 C ATOM 880 OE1 GLU A 58 5.409 6.094 -6.036 1.00 0.00 O ATOM 881 OE2 GLU A 58 3.796 6.906 -7.275 1.00 0.00 O ATOM 0 H GLU A 58 2.740 2.125 -8.530 1.00 0.00 H new ATOM 0 HA GLU A 58 4.293 4.551 -8.867 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.578 2.598 -6.712 1.00 0.00 H new ATOM 0 HB3 GLU A 58 5.138 3.380 -6.553 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.484 4.842 -6.829 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.314 4.545 -5.314 1.00 0.00 H new ATOM 888 N GLY A 59 5.574 1.678 -9.591 1.00 0.00 N ATOM 889 CA GLY A 59 6.752 0.945 -10.044 1.00 0.00 C ATOM 890 C GLY A 59 7.138 -0.188 -9.097 1.00 0.00 C ATOM 891 O GLY A 59 8.329 -0.484 -8.996 1.00 0.00 O ATOM 0 H GLY A 59 4.698 1.203 -9.810 1.00 0.00 H new ATOM 0 HA2 GLY A 59 6.561 0.535 -11.036 1.00 0.00 H new ATOM 0 HA3 GLY A 59 7.590 1.635 -10.140 1.00 0.00 H new ATOM 895 N TYR A 60 6.183 -0.790 -8.375 1.00 0.00 N ATOM 896 CA TYR A 60 6.422 -1.878 -7.424 1.00 0.00 C ATOM 897 C TYR A 60 5.360 -2.965 -7.597 1.00 0.00 C ATOM 898 O TYR A 60 4.405 -2.773 -8.348 1.00 0.00 O ATOM 899 CB TYR A 60 6.340 -1.329 -5.994 1.00 0.00 C ATOM 900 CG TYR A 60 7.219 -0.142 -5.674 1.00 0.00 C ATOM 901 CD1 TYR A 60 6.745 1.142 -5.980 1.00 0.00 C ATOM 902 CD2 TYR A 60 8.417 -0.292 -4.951 1.00 0.00 C ATOM 903 CE1 TYR A 60 7.454 2.275 -5.566 1.00 0.00 C ATOM 904 CE2 TYR A 60 9.125 0.846 -4.514 1.00 0.00 C ATOM 905 CZ TYR A 60 8.639 2.140 -4.815 1.00 0.00 C ATOM 906 OH TYR A 60 9.277 3.259 -4.377 1.00 0.00 O ATOM 0 H TYR A 60 5.200 -0.526 -8.440 1.00 0.00 H new ATOM 0 HA TYR A 60 7.410 -2.301 -7.608 1.00 0.00 H new ATOM 0 HB2 TYR A 60 5.305 -1.050 -5.795 1.00 0.00 H new ATOM 0 HB3 TYR A 60 6.591 -2.135 -5.305 1.00 0.00 H new ATOM 0 HD1 TYR A 60 5.828 1.257 -6.538 1.00 0.00 H new ATOM 0 HD2 TYR A 60 8.794 -1.280 -4.731 1.00 0.00 H new ATOM 0 HE1 TYR A 60 7.091 3.259 -5.824 1.00 0.00 H new ATOM 0 HE2 TYR A 60 10.038 0.730 -3.949 1.00 0.00 H new ATOM 0 HH TYR A 60 8.621 3.972 -4.228 1.00 0.00 H new ATOM 916 N LYS A 61 5.515 -4.106 -6.916 1.00 0.00 N ATOM 917 CA LYS A 61 4.559 -5.213 -6.979 1.00 0.00 C ATOM 918 C LYS A 61 3.728 -5.172 -5.703 1.00 0.00 C ATOM 919 O LYS A 61 4.267 -4.886 -4.629 1.00 0.00 O ATOM 920 CB LYS A 61 5.308 -6.555 -7.089 1.00 0.00 C ATOM 921 CG LYS A 61 4.366 -7.770 -7.243 1.00 0.00 C ATOM 922 CD LYS A 61 5.150 -9.091 -7.160 1.00 0.00 C ATOM 923 CE LYS A 61 4.435 -10.292 -7.800 1.00 0.00 C ATOM 924 NZ LYS A 61 3.215 -10.713 -7.085 1.00 0.00 N ATOM 0 H LYS A 61 6.311 -4.286 -6.304 1.00 0.00 H new ATOM 0 HA LYS A 61 3.917 -5.118 -7.855 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.983 -6.517 -7.944 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.925 -6.693 -6.201 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.605 -7.745 -6.463 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.845 -7.712 -8.199 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.117 -8.957 -7.646 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.348 -9.317 -6.112 1.00 0.00 H new ATOM 0 HE2 LYS A 61 4.173 -10.041 -8.828 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.127 -11.133 -7.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.789 -11.526 -7.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.459 -10.984 -6.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.535 -9.926 -7.065 1.00 0.00 H new ATOM 938 N ALA A 62 2.435 -5.482 -5.805 1.00 0.00 N ATOM 939 CA ALA A 62 1.536 -5.518 -4.663 1.00 0.00 C ATOM 940 C ALA A 62 0.670 -6.763 -4.759 1.00 0.00 C ATOM 941 O ALA A 62 0.184 -7.109 -5.835 1.00 0.00 O ATOM 942 CB ALA A 62 0.693 -4.255 -4.587 1.00 0.00 C ATOM 0 H ALA A 62 1.984 -5.716 -6.690 1.00 0.00 H new ATOM 0 HA ALA A 62 2.119 -5.560 -3.743 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.031 -4.311 -3.723 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.345 -3.387 -4.488 1.00 0.00 H new ATOM 0 HB3 ALA A 62 0.098 -4.160 -5.495 1.00 0.00 H new ATOM 948 N GLU A 63 0.414 -7.396 -3.622 1.00 0.00 N ATOM 949 CA GLU A 63 -0.365 -8.609 -3.489 1.00 0.00 C ATOM 950 C GLU A 63 -1.384 -8.402 -2.378 1.00 0.00 C ATOM 951 O GLU A 63 -1.024 -8.078 -1.245 1.00 0.00 O ATOM 952 CB GLU A 63 0.621 -9.749 -3.183 1.00 0.00 C ATOM 953 CG GLU A 63 0.008 -11.155 -3.107 1.00 0.00 C ATOM 954 CD GLU A 63 0.135 -11.905 -4.433 1.00 0.00 C ATOM 955 OE1 GLU A 63 1.263 -11.999 -4.963 1.00 0.00 O ATOM 956 OE2 GLU A 63 -0.881 -12.428 -4.939 1.00 0.00 O ATOM 0 H GLU A 63 0.764 -7.056 -2.726 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.916 -8.861 -4.395 1.00 0.00 H new ATOM 0 HB2 GLU A 63 1.395 -9.751 -3.950 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.113 -9.535 -2.234 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.502 -11.724 -2.319 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.044 -11.078 -2.833 1.00 0.00 H new ATOM 963 N VAL A 64 -2.671 -8.443 -2.714 1.00 0.00 N ATOM 964 CA VAL A 64 -3.719 -8.284 -1.724 1.00 0.00 C ATOM 965 C VAL A 64 -3.820 -9.619 -0.974 1.00 0.00 C ATOM 966 O VAL A 64 -3.773 -10.681 -1.589 1.00 0.00 O ATOM 967 CB VAL A 64 -5.040 -7.866 -2.406 1.00 0.00 C ATOM 968 CG1 VAL A 64 -5.435 -8.693 -3.642 1.00 0.00 C ATOM 969 CG2 VAL A 64 -6.192 -7.901 -1.391 1.00 0.00 C ATOM 0 H VAL A 64 -3.008 -8.585 -3.666 1.00 0.00 H new ATOM 0 HA VAL A 64 -3.496 -7.489 -1.012 1.00 0.00 H new ATOM 0 HB VAL A 64 -4.856 -6.855 -2.770 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -6.376 -8.319 -4.045 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -4.657 -8.608 -4.400 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -5.553 -9.739 -3.358 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -7.119 -7.605 -1.882 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -6.298 -8.911 -0.996 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -5.978 -7.212 -0.574 1.00 0.00 H new ATOM 979 N LEU A 65 -4.003 -9.574 0.346 1.00 0.00 N ATOM 980 CA LEU A 65 -4.145 -10.760 1.192 1.00 0.00 C ATOM 981 C LEU A 65 -5.500 -10.695 1.890 1.00 0.00 C ATOM 982 O LEU A 65 -5.608 -10.784 3.114 1.00 0.00 O ATOM 983 CB LEU A 65 -2.967 -10.895 2.160 1.00 0.00 C ATOM 984 CG LEU A 65 -1.637 -11.211 1.455 1.00 0.00 C ATOM 985 CD1 LEU A 65 -0.568 -11.217 2.537 1.00 0.00 C ATOM 986 CD2 LEU A 65 -1.626 -12.563 0.729 1.00 0.00 C ATOM 0 H LEU A 65 -4.058 -8.698 0.866 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.119 -11.665 0.586 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.861 -9.968 2.724 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.185 -11.683 2.880 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.466 -10.459 0.684 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.401 -11.437 2.090 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.532 -10.240 3.018 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.806 -11.978 3.280 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.655 -12.714 0.257 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.809 -13.363 1.447 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.406 -12.573 -0.033 1.00 0.00 H new ATOM 998 N ALA A 66 -6.523 -10.359 1.103 1.00 0.00 N ATOM 999 CA ALA A 66 -7.907 -10.252 1.528 1.00 0.00 C ATOM 1000 C ALA A 66 -8.506 -11.640 1.485 1.00 0.00 C ATOM 1001 O ALA A 66 -8.132 -12.444 0.601 1.00 0.00 O ATOM 1002 CB ALA A 66 -8.705 -9.286 0.643 1.00 0.00 C ATOM 0 H ALA A 66 -6.398 -10.147 0.113 1.00 0.00 H new ATOM 0 HA ALA A 66 -7.949 -9.845 2.538 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -9.735 -9.236 0.996 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -8.256 -8.294 0.691 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.692 -9.641 -0.387 1.00 0.00 H new TER 1008 ALA A 66