USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=16 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 Single : A 1 MET CE :methyl 164:sc= -0.0164 (180deg=-0.293) USER MOD Single : A 1 MET N :NH3+ 152:sc= 1.09 (180deg=0.422) USER MOD Single : A 3 LYS NZ :NH3+ -145:sc= 1.07 (180deg=-0.823!) USER MOD Single : A 5 LYS NZ :NH3+ -124:sc= 0.663 (180deg=-0.00544) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 8:sc= 0.929 USER MOD Single : A 11 CYS SG : rot -2:sc= -0.22 USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 14 CYS SG : rot -84:sc= 0.331 USER MOD Single : A 16 MET CE :methyl -165:sc= -0.0437 (180deg=-0.335) USER MOD Single : A 19 THR OG1 : rot 96:sc= 1.29 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.674) USER MOD Single : A 24 LYS NZ :NH3+ -179:sc= 1.26 (180deg=1.23) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.00434 USER MOD Single : A 49 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00885) USER MOD Single : A 53 GLN : amide:sc= 0.165 K(o=0.16,f=-0.49) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 161:sc= -0.109 (180deg=-0.544) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.552 6.754 1.647 1.00 0.00 N ATOM 2 CA MET A 1 10.109 7.014 1.772 1.00 0.00 C ATOM 3 C MET A 1 9.501 7.174 0.384 1.00 0.00 C ATOM 4 O MET A 1 10.212 7.577 -0.537 1.00 0.00 O ATOM 5 CB MET A 1 9.800 8.181 2.729 1.00 0.00 C ATOM 6 CG MET A 1 10.623 9.461 2.501 1.00 0.00 C ATOM 7 SD MET A 1 10.574 10.658 3.869 1.00 0.00 S ATOM 8 CE MET A 1 11.533 9.759 5.121 1.00 0.00 C ATOM 0 H1 MET A 1 12.042 7.103 2.495 1.00 0.00 H new ATOM 0 H2 MET A 1 11.713 5.731 1.550 1.00 0.00 H new ATOM 0 H3 MET A 1 11.922 7.244 0.808 1.00 0.00 H new ATOM 0 HA MET A 1 9.631 6.154 2.242 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.742 8.430 2.641 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.964 7.842 3.752 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.661 9.181 2.320 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.263 9.951 1.596 1.00 0.00 H new ATOM 0 HE1 MET A 1 11.841 10.448 5.907 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.918 8.969 5.552 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.416 9.320 4.657 1.00 0.00 H new ATOM 18 N LEU A 2 8.249 6.736 0.213 1.00 0.00 N ATOM 19 CA LEU A 2 7.474 6.787 -1.029 1.00 0.00 C ATOM 20 C LEU A 2 5.979 6.978 -0.686 1.00 0.00 C ATOM 21 O LEU A 2 5.597 6.847 0.485 1.00 0.00 O ATOM 22 CB LEU A 2 7.734 5.494 -1.841 1.00 0.00 C ATOM 23 CG LEU A 2 8.069 5.660 -3.334 1.00 0.00 C ATOM 24 CD1 LEU A 2 6.958 6.365 -4.094 1.00 0.00 C ATOM 25 CD2 LEU A 2 9.379 6.407 -3.590 1.00 0.00 C ATOM 0 H LEU A 2 7.722 6.314 0.978 1.00 0.00 H new ATOM 0 HA LEU A 2 7.780 7.632 -1.646 1.00 0.00 H new ATOM 0 HB2 LEU A 2 8.556 4.957 -1.368 1.00 0.00 H new ATOM 0 HB3 LEU A 2 6.851 4.861 -1.761 1.00 0.00 H new ATOM 0 HG LEU A 2 8.181 4.639 -3.700 1.00 0.00 H new ATOM 0 HD11 LEU A 2 7.238 6.460 -5.143 1.00 0.00 H new ATOM 0 HD12 LEU A 2 6.038 5.785 -4.015 1.00 0.00 H new ATOM 0 HD13 LEU A 2 6.799 7.356 -3.670 1.00 0.00 H new ATOM 0 HD21 LEU A 2 9.549 6.486 -4.664 1.00 0.00 H new ATOM 0 HD22 LEU A 2 9.319 7.406 -3.158 1.00 0.00 H new ATOM 0 HD23 LEU A 2 10.204 5.862 -3.131 1.00 0.00 H new ATOM 37 N LYS A 3 5.134 7.322 -1.670 1.00 0.00 N ATOM 38 CA LYS A 3 3.684 7.514 -1.526 1.00 0.00 C ATOM 39 C LYS A 3 2.990 6.564 -2.508 1.00 0.00 C ATOM 40 O LYS A 3 3.146 6.692 -3.727 1.00 0.00 O ATOM 41 CB LYS A 3 3.272 8.994 -1.695 1.00 0.00 C ATOM 42 CG LYS A 3 3.645 9.637 -3.047 1.00 0.00 C ATOM 43 CD LYS A 3 3.150 11.073 -3.228 1.00 0.00 C ATOM 44 CE LYS A 3 3.880 12.014 -2.271 1.00 0.00 C ATOM 45 NZ LYS A 3 4.412 13.211 -2.944 1.00 0.00 N ATOM 0 H LYS A 3 5.455 7.480 -2.625 1.00 0.00 H new ATOM 0 HA LYS A 3 3.365 7.267 -0.513 1.00 0.00 H new ATOM 0 HB2 LYS A 3 2.193 9.070 -1.562 1.00 0.00 H new ATOM 0 HB3 LYS A 3 3.734 9.575 -0.897 1.00 0.00 H new ATOM 0 HG2 LYS A 3 4.730 9.625 -3.153 1.00 0.00 H new ATOM 0 HG3 LYS A 3 3.239 9.023 -3.851 1.00 0.00 H new ATOM 0 HD2 LYS A 3 3.313 11.393 -4.257 1.00 0.00 H new ATOM 0 HD3 LYS A 3 2.076 11.120 -3.045 1.00 0.00 H new ATOM 0 HE2 LYS A 3 3.197 12.321 -1.479 1.00 0.00 H new ATOM 0 HE3 LYS A 3 4.700 11.476 -1.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 5.314 13.484 -2.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 4.567 13.003 -3.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 3.731 13.992 -2.852 1.00 0.00 H new ATOM 59 N LEU A 4 2.235 5.588 -2.012 1.00 0.00 N ATOM 60 CA LEU A 4 1.531 4.595 -2.825 1.00 0.00 C ATOM 61 C LEU A 4 0.034 4.689 -2.547 1.00 0.00 C ATOM 62 O LEU A 4 -0.356 5.111 -1.464 1.00 0.00 O ATOM 63 CB LEU A 4 2.141 3.219 -2.516 1.00 0.00 C ATOM 64 CG LEU A 4 1.683 2.098 -3.472 1.00 0.00 C ATOM 65 CD1 LEU A 4 2.845 1.141 -3.732 1.00 0.00 C ATOM 66 CD2 LEU A 4 0.529 1.289 -2.883 1.00 0.00 C ATOM 0 H LEU A 4 2.091 5.461 -1.010 1.00 0.00 H new ATOM 0 HA LEU A 4 1.649 4.772 -3.894 1.00 0.00 H new ATOM 0 HB2 LEU A 4 3.227 3.297 -2.559 1.00 0.00 H new ATOM 0 HB3 LEU A 4 1.882 2.940 -1.495 1.00 0.00 H new ATOM 0 HG LEU A 4 1.349 2.573 -4.395 1.00 0.00 H new ATOM 0 HD11 LEU A 4 2.520 0.349 -4.407 1.00 0.00 H new ATOM 0 HD12 LEU A 4 3.672 1.688 -4.185 1.00 0.00 H new ATOM 0 HD13 LEU A 4 3.173 0.702 -2.790 1.00 0.00 H new ATOM 0 HD21 LEU A 4 0.235 0.510 -3.586 1.00 0.00 H new ATOM 0 HD22 LEU A 4 0.846 0.832 -1.946 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -0.319 1.948 -2.696 1.00 0.00 H new ATOM 78 N LYS A 5 -0.820 4.397 -3.526 1.00 0.00 N ATOM 79 CA LYS A 5 -2.277 4.432 -3.395 1.00 0.00 C ATOM 80 C LYS A 5 -2.810 3.067 -3.786 1.00 0.00 C ATOM 81 O LYS A 5 -2.286 2.488 -4.737 1.00 0.00 O ATOM 82 CB LYS A 5 -2.895 5.546 -4.252 1.00 0.00 C ATOM 83 CG LYS A 5 -2.576 6.925 -3.661 1.00 0.00 C ATOM 84 CD LYS A 5 -3.129 8.067 -4.512 1.00 0.00 C ATOM 85 CE LYS A 5 -2.604 9.430 -4.027 1.00 0.00 C ATOM 86 NZ LYS A 5 -1.201 9.673 -4.434 1.00 0.00 N ATOM 0 H LYS A 5 -0.510 4.122 -4.458 1.00 0.00 H new ATOM 0 HA LYS A 5 -2.552 4.658 -2.365 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -2.511 5.484 -5.270 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -3.975 5.411 -4.310 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -2.992 6.991 -2.655 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -1.496 7.036 -3.567 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -2.847 7.916 -5.554 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -4.218 8.059 -4.472 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -3.237 10.223 -4.425 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -2.678 9.479 -2.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -0.625 9.873 -3.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -0.828 8.830 -4.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -1.163 10.487 -5.081 1.00 0.00 H new ATOM 100 N VAL A 6 -3.791 2.552 -3.048 1.00 0.00 N ATOM 101 CA VAL A 6 -4.427 1.259 -3.277 1.00 0.00 C ATOM 102 C VAL A 6 -5.936 1.481 -3.307 1.00 0.00 C ATOM 103 O VAL A 6 -6.472 2.310 -2.563 1.00 0.00 O ATOM 104 CB VAL A 6 -4.025 0.247 -2.179 1.00 0.00 C ATOM 105 CG1 VAL A 6 -4.615 -1.149 -2.422 1.00 0.00 C ATOM 106 CG2 VAL A 6 -2.501 0.112 -2.083 1.00 0.00 C ATOM 0 H VAL A 6 -4.179 3.044 -2.243 1.00 0.00 H new ATOM 0 HA VAL A 6 -4.098 0.836 -4.226 1.00 0.00 H new ATOM 0 HB VAL A 6 -4.429 0.644 -1.248 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -4.302 -1.820 -1.622 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.703 -1.086 -2.438 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -4.259 -1.533 -3.378 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -2.248 -0.606 -1.303 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.106 -0.235 -3.038 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -2.065 1.081 -1.840 1.00 0.00 H new ATOM 116 N GLU A 7 -6.634 0.745 -4.167 1.00 0.00 N ATOM 117 CA GLU A 7 -8.071 0.806 -4.325 1.00 0.00 C ATOM 118 C GLU A 7 -8.571 -0.563 -4.801 1.00 0.00 C ATOM 119 O GLU A 7 -7.797 -1.388 -5.283 1.00 0.00 O ATOM 120 CB GLU A 7 -8.402 1.954 -5.302 1.00 0.00 C ATOM 121 CG GLU A 7 -9.899 2.259 -5.421 1.00 0.00 C ATOM 122 CD GLU A 7 -10.577 2.310 -4.051 1.00 0.00 C ATOM 123 OE1 GLU A 7 -10.270 3.245 -3.269 1.00 0.00 O ATOM 124 OE2 GLU A 7 -11.364 1.376 -3.754 1.00 0.00 O ATOM 0 H GLU A 7 -6.193 0.069 -4.791 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.580 1.021 -3.386 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -7.883 2.855 -4.977 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.014 1.701 -6.289 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -10.037 3.213 -5.931 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -10.378 1.497 -6.036 1.00 0.00 H new ATOM 131 N GLY A 8 -9.864 -0.842 -4.653 1.00 0.00 N ATOM 132 CA GLY A 8 -10.425 -2.108 -5.084 1.00 0.00 C ATOM 133 C GLY A 8 -11.893 -2.267 -4.721 1.00 0.00 C ATOM 134 O GLY A 8 -12.645 -2.832 -5.519 1.00 0.00 O ATOM 0 H GLY A 8 -10.540 -0.202 -4.236 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -10.313 -2.199 -6.164 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -9.856 -2.922 -4.635 1.00 0.00 H new ATOM 138 N MET A 9 -12.326 -1.776 -3.554 1.00 0.00 N ATOM 139 CA MET A 9 -13.718 -1.897 -3.105 1.00 0.00 C ATOM 140 C MET A 9 -14.211 -0.714 -2.251 1.00 0.00 C ATOM 141 O MET A 9 -15.333 -0.772 -1.747 1.00 0.00 O ATOM 142 CB MET A 9 -13.870 -3.205 -2.296 1.00 0.00 C ATOM 143 CG MET A 9 -13.760 -4.517 -3.076 1.00 0.00 C ATOM 144 SD MET A 9 -15.139 -4.805 -4.216 1.00 0.00 S ATOM 145 CE MET A 9 -14.855 -6.550 -4.611 1.00 0.00 C ATOM 0 H MET A 9 -11.722 -1.284 -2.895 1.00 0.00 H new ATOM 0 HA MET A 9 -14.335 -1.902 -4.004 1.00 0.00 H new ATOM 0 HB2 MET A 9 -13.111 -3.210 -1.514 1.00 0.00 H new ATOM 0 HB3 MET A 9 -14.840 -3.186 -1.799 1.00 0.00 H new ATOM 0 HG2 MET A 9 -12.828 -4.517 -3.641 1.00 0.00 H new ATOM 0 HG3 MET A 9 -13.705 -5.346 -2.370 1.00 0.00 H new ATOM 0 HE1 MET A 9 -15.619 -6.894 -5.307 1.00 0.00 H new ATOM 0 HE2 MET A 9 -13.871 -6.665 -5.066 1.00 0.00 H new ATOM 0 HE3 MET A 9 -14.903 -7.142 -3.697 1.00 0.00 H new ATOM 155 N THR A 10 -13.420 0.342 -2.020 1.00 0.00 N ATOM 156 CA THR A 10 -13.772 1.524 -1.211 1.00 0.00 C ATOM 157 C THR A 10 -14.184 1.248 0.257 1.00 0.00 C ATOM 158 O THR A 10 -14.560 2.181 0.968 1.00 0.00 O ATOM 159 CB THR A 10 -14.786 2.429 -1.958 1.00 0.00 C ATOM 160 OG1 THR A 10 -15.971 1.768 -2.370 1.00 0.00 O ATOM 161 CG2 THR A 10 -14.170 3.031 -3.220 1.00 0.00 C ATOM 0 H THR A 10 -12.478 0.402 -2.406 1.00 0.00 H new ATOM 0 HA THR A 10 -12.835 2.069 -1.097 1.00 0.00 H new ATOM 0 HB THR A 10 -15.043 3.190 -1.221 1.00 0.00 H new ATOM 0 HG1 THR A 10 -15.990 0.864 -1.992 1.00 0.00 H new ATOM 0 HG21 THR A 10 -14.907 3.660 -3.720 1.00 0.00 H new ATOM 0 HG22 THR A 10 -13.302 3.633 -2.950 1.00 0.00 H new ATOM 0 HG23 THR A 10 -13.861 2.230 -3.892 1.00 0.00 H new ATOM 169 N CYS A 11 -14.099 0.009 0.756 1.00 0.00 N ATOM 170 CA CYS A 11 -14.486 -0.325 2.122 1.00 0.00 C ATOM 171 C CYS A 11 -13.477 0.194 3.144 1.00 0.00 C ATOM 172 O CYS A 11 -12.276 0.091 2.902 1.00 0.00 O ATOM 173 CB CYS A 11 -14.548 -1.844 2.323 1.00 0.00 C ATOM 174 SG CYS A 11 -15.062 -2.769 0.852 1.00 0.00 S ATOM 0 H CYS A 11 -13.759 -0.788 0.219 1.00 0.00 H new ATOM 0 HA CYS A 11 -15.461 0.139 2.272 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -13.566 -2.198 2.636 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -15.240 -2.063 3.136 1.00 0.00 H new ATOM 0 HG CYS A 11 -15.327 -1.938 -0.112 1.00 0.00 H new ATOM 180 N ASN A 12 -13.937 0.567 4.341 1.00 0.00 N ATOM 181 CA ASN A 12 -13.056 1.068 5.402 1.00 0.00 C ATOM 182 C ASN A 12 -12.047 0.006 5.860 1.00 0.00 C ATOM 183 O ASN A 12 -10.993 0.330 6.403 1.00 0.00 O ATOM 184 CB ASN A 12 -13.857 1.524 6.631 1.00 0.00 C ATOM 185 CG ASN A 12 -14.788 2.703 6.392 1.00 0.00 C ATOM 186 OD1 ASN A 12 -16.008 2.546 6.426 1.00 0.00 O ATOM 187 ND2 ASN A 12 -14.261 3.885 6.133 1.00 0.00 N ATOM 0 H ASN A 12 -14.922 0.531 4.602 1.00 0.00 H new ATOM 0 HA ASN A 12 -12.522 1.915 4.971 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -14.447 0.682 6.994 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -13.157 1.788 7.424 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -14.867 4.686 5.957 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -13.247 3.997 6.109 1.00 0.00 H new ATOM 194 N HIS A 13 -12.351 -1.280 5.661 1.00 0.00 N ATOM 195 CA HIS A 13 -11.488 -2.389 6.050 1.00 0.00 C ATOM 196 C HIS A 13 -10.360 -2.663 5.043 1.00 0.00 C ATOM 197 O HIS A 13 -9.544 -3.555 5.296 1.00 0.00 O ATOM 198 CB HIS A 13 -12.324 -3.654 6.279 1.00 0.00 C ATOM 199 CG HIS A 13 -13.428 -3.482 7.288 1.00 0.00 C ATOM 200 ND1 HIS A 13 -14.764 -3.286 7.014 1.00 0.00 N ATOM 201 CD2 HIS A 13 -13.272 -3.503 8.648 1.00 0.00 C ATOM 202 CE1 HIS A 13 -15.398 -3.172 8.193 1.00 0.00 C ATOM 203 NE2 HIS A 13 -14.535 -3.319 9.217 1.00 0.00 N ATOM 0 H HIS A 13 -13.219 -1.580 5.217 1.00 0.00 H new ATOM 0 HA HIS A 13 -11.002 -2.097 6.981 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -12.758 -3.967 5.330 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -11.666 -4.458 6.609 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -12.343 -3.637 9.183 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -16.456 -2.987 8.305 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -14.759 -3.300 10.212 1.00 0.00 H new ATOM 211 N CYS A 14 -10.300 -1.969 3.893 1.00 0.00 N ATOM 212 CA CYS A 14 -9.247 -2.195 2.898 1.00 0.00 C ATOM 213 C CYS A 14 -7.846 -2.007 3.497 1.00 0.00 C ATOM 214 O CYS A 14 -6.900 -2.671 3.059 1.00 0.00 O ATOM 215 CB CYS A 14 -9.484 -1.333 1.648 1.00 0.00 C ATOM 216 SG CYS A 14 -9.305 0.440 1.974 1.00 0.00 S ATOM 0 H CYS A 14 -10.971 -1.247 3.633 1.00 0.00 H new ATOM 0 HA CYS A 14 -9.297 -3.237 2.580 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -8.780 -1.628 0.870 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -10.485 -1.528 1.262 1.00 0.00 H new ATOM 0 HG CYS A 14 -10.420 0.908 2.451 1.00 0.00 H new ATOM 222 N VAL A 15 -7.736 -1.158 4.528 1.00 0.00 N ATOM 223 CA VAL A 15 -6.501 -0.858 5.242 1.00 0.00 C ATOM 224 C VAL A 15 -5.832 -2.144 5.755 1.00 0.00 C ATOM 225 O VAL A 15 -4.605 -2.239 5.738 1.00 0.00 O ATOM 226 CB VAL A 15 -6.753 0.183 6.359 1.00 0.00 C ATOM 227 CG1 VAL A 15 -7.349 1.479 5.787 1.00 0.00 C ATOM 228 CG2 VAL A 15 -7.696 -0.327 7.456 1.00 0.00 C ATOM 0 H VAL A 15 -8.538 -0.646 4.896 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.795 -0.404 4.547 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.774 0.372 6.800 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -7.515 2.191 6.595 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -6.658 1.908 5.062 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -8.298 1.258 5.298 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.832 0.449 8.209 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -8.661 -0.580 7.017 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.266 -1.213 7.922 1.00 0.00 H new ATOM 238 N MET A 16 -6.613 -3.148 6.178 1.00 0.00 N ATOM 239 CA MET A 16 -6.088 -4.419 6.671 1.00 0.00 C ATOM 240 C MET A 16 -5.343 -5.127 5.543 1.00 0.00 C ATOM 241 O MET A 16 -4.205 -5.558 5.717 1.00 0.00 O ATOM 242 CB MET A 16 -7.230 -5.333 7.146 1.00 0.00 C ATOM 243 CG MET A 16 -7.926 -4.876 8.430 1.00 0.00 C ATOM 244 SD MET A 16 -6.954 -5.035 9.957 1.00 0.00 S ATOM 245 CE MET A 16 -6.758 -6.836 10.057 1.00 0.00 C ATOM 0 H MET A 16 -7.632 -3.096 6.186 1.00 0.00 H new ATOM 0 HA MET A 16 -5.420 -4.214 7.507 1.00 0.00 H new ATOM 0 HB2 MET A 16 -7.973 -5.404 6.352 1.00 0.00 H new ATOM 0 HB3 MET A 16 -6.833 -6.336 7.302 1.00 0.00 H new ATOM 0 HG2 MET A 16 -8.214 -3.831 8.312 1.00 0.00 H new ATOM 0 HG3 MET A 16 -8.846 -5.449 8.546 1.00 0.00 H new ATOM 0 HE1 MET A 16 -6.423 -7.111 11.057 1.00 0.00 H new ATOM 0 HE2 MET A 16 -7.713 -7.318 9.849 1.00 0.00 H new ATOM 0 HE3 MET A 16 -6.019 -7.163 9.325 1.00 0.00 H new ATOM 255 N ALA A 17 -6.000 -5.233 4.382 1.00 0.00 N ATOM 256 CA ALA A 17 -5.460 -5.888 3.207 1.00 0.00 C ATOM 257 C ALA A 17 -4.162 -5.227 2.758 1.00 0.00 C ATOM 258 O ALA A 17 -3.164 -5.935 2.627 1.00 0.00 O ATOM 259 CB ALA A 17 -6.502 -5.909 2.083 1.00 0.00 C ATOM 0 H ALA A 17 -6.937 -4.856 4.241 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.222 -6.920 3.464 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.082 -6.404 1.207 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -7.387 -6.451 2.417 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -6.779 -4.887 1.824 1.00 0.00 H new ATOM 265 N VAL A 18 -4.140 -3.901 2.572 1.00 0.00 N ATOM 266 CA VAL A 18 -2.913 -3.232 2.133 1.00 0.00 C ATOM 267 C VAL A 18 -1.802 -3.415 3.172 1.00 0.00 C ATOM 268 O VAL A 18 -0.710 -3.849 2.811 1.00 0.00 O ATOM 269 CB VAL A 18 -3.150 -1.769 1.688 1.00 0.00 C ATOM 270 CG1 VAL A 18 -3.887 -0.912 2.717 1.00 0.00 C ATOM 271 CG2 VAL A 18 -1.844 -1.060 1.306 1.00 0.00 C ATOM 0 H VAL A 18 -4.939 -3.284 2.715 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.563 -3.719 1.223 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.792 -1.864 0.812 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.012 0.098 2.327 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.866 -1.347 2.919 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.309 -0.875 3.641 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.061 -0.036 1.001 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.172 -1.048 2.164 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.369 -1.591 0.481 1.00 0.00 H new ATOM 281 N THR A 19 -2.058 -3.160 4.458 1.00 0.00 N ATOM 282 CA THR A 19 -1.044 -3.305 5.500 1.00 0.00 C ATOM 283 C THR A 19 -0.449 -4.718 5.460 1.00 0.00 C ATOM 284 O THR A 19 0.767 -4.881 5.317 1.00 0.00 O ATOM 285 CB THR A 19 -1.644 -2.951 6.874 1.00 0.00 C ATOM 286 OG1 THR A 19 -2.253 -1.679 6.810 1.00 0.00 O ATOM 287 CG2 THR A 19 -0.591 -2.893 7.982 1.00 0.00 C ATOM 0 H THR A 19 -2.967 -2.850 4.802 1.00 0.00 H new ATOM 0 HA THR A 19 -0.225 -2.608 5.320 1.00 0.00 H new ATOM 0 HB THR A 19 -2.361 -3.737 7.110 1.00 0.00 H new ATOM 0 HG1 THR A 19 -3.211 -1.784 6.635 1.00 0.00 H new ATOM 0 HG21 THR A 19 -1.071 -2.639 8.927 1.00 0.00 H new ATOM 0 HG22 THR A 19 -0.103 -3.864 8.072 1.00 0.00 H new ATOM 0 HG23 THR A 19 0.153 -2.134 7.738 1.00 0.00 H new ATOM 295 N LYS A 20 -1.292 -5.751 5.520 1.00 0.00 N ATOM 296 CA LYS A 20 -0.843 -7.137 5.504 1.00 0.00 C ATOM 297 C LYS A 20 -0.173 -7.531 4.177 1.00 0.00 C ATOM 298 O LYS A 20 0.755 -8.340 4.201 1.00 0.00 O ATOM 299 CB LYS A 20 -2.042 -8.018 5.881 1.00 0.00 C ATOM 300 CG LYS A 20 -1.707 -9.505 6.038 1.00 0.00 C ATOM 301 CD LYS A 20 -0.788 -9.835 7.221 1.00 0.00 C ATOM 302 CE LYS A 20 -0.207 -11.229 6.983 1.00 0.00 C ATOM 303 NZ LYS A 20 0.229 -11.895 8.224 1.00 0.00 N ATOM 0 H LYS A 20 -2.305 -5.646 5.581 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.051 -7.284 6.238 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.467 -7.653 6.816 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.812 -7.910 5.117 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -2.637 -10.063 6.151 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.235 -9.856 5.120 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.010 -9.097 7.303 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.345 -9.808 8.157 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.956 -11.848 6.489 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.641 -11.151 6.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.613 -12.835 7.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.965 -11.323 8.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.583 -11.998 8.866 1.00 0.00 H new ATOM 317 N ALA A 21 -0.586 -6.989 3.027 1.00 0.00 N ATOM 318 CA ALA A 21 0.025 -7.308 1.734 1.00 0.00 C ATOM 319 C ALA A 21 1.447 -6.741 1.703 1.00 0.00 C ATOM 320 O ALA A 21 2.397 -7.420 1.311 1.00 0.00 O ATOM 321 CB ALA A 21 -0.816 -6.743 0.585 1.00 0.00 C ATOM 0 H ALA A 21 -1.352 -6.318 2.967 1.00 0.00 H new ATOM 0 HA ALA A 21 0.067 -8.390 1.607 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.345 -6.991 -0.366 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.816 -7.176 0.619 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.886 -5.660 0.684 1.00 0.00 H new ATOM 327 N LEU A 22 1.606 -5.496 2.155 1.00 0.00 N ATOM 328 CA LEU A 22 2.893 -4.811 2.219 1.00 0.00 C ATOM 329 C LEU A 22 3.803 -5.541 3.219 1.00 0.00 C ATOM 330 O LEU A 22 5.019 -5.575 3.037 1.00 0.00 O ATOM 331 CB LEU A 22 2.666 -3.341 2.632 1.00 0.00 C ATOM 332 CG LEU A 22 2.298 -2.346 1.503 1.00 0.00 C ATOM 333 CD1 LEU A 22 3.544 -1.801 0.809 1.00 0.00 C ATOM 334 CD2 LEU A 22 1.399 -2.890 0.386 1.00 0.00 C ATOM 0 H LEU A 22 0.829 -4.928 2.492 1.00 0.00 H new ATOM 0 HA LEU A 22 3.380 -4.820 1.244 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.872 -3.317 3.378 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.572 -2.981 3.119 1.00 0.00 H new ATOM 0 HG LEU A 22 1.740 -1.582 2.045 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.248 -1.106 0.023 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.168 -1.281 1.536 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.107 -2.626 0.372 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.211 -2.104 -0.345 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.894 -3.729 -0.103 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.453 -3.225 0.811 1.00 0.00 H new ATOM 346 N LYS A 23 3.227 -6.171 4.252 1.00 0.00 N ATOM 347 CA LYS A 23 3.962 -6.909 5.277 1.00 0.00 C ATOM 348 C LYS A 23 4.587 -8.218 4.786 1.00 0.00 C ATOM 349 O LYS A 23 5.431 -8.762 5.499 1.00 0.00 O ATOM 350 CB LYS A 23 3.036 -7.148 6.488 1.00 0.00 C ATOM 351 CG LYS A 23 3.782 -7.749 7.685 1.00 0.00 C ATOM 352 CD LYS A 23 3.046 -7.678 9.024 1.00 0.00 C ATOM 353 CE LYS A 23 3.116 -6.342 9.762 1.00 0.00 C ATOM 354 NZ LYS A 23 2.100 -5.374 9.321 1.00 0.00 N ATOM 0 H LYS A 23 2.217 -6.179 4.397 1.00 0.00 H new ATOM 0 HA LYS A 23 4.812 -6.292 5.567 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.580 -6.204 6.785 1.00 0.00 H new ATOM 0 HB3 LYS A 23 2.226 -7.816 6.196 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.002 -8.794 7.466 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.739 -7.237 7.789 1.00 0.00 H new ATOM 0 HD2 LYS A 23 1.997 -7.920 8.852 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.448 -8.452 9.678 1.00 0.00 H new ATOM 0 HE2 LYS A 23 2.997 -6.520 10.831 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.106 -5.908 9.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 1.910 -4.697 10.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 2.448 -4.862 8.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 1.223 -5.878 9.078 1.00 0.00 H new ATOM 368 N LYS A 24 4.217 -8.755 3.613 1.00 0.00 N ATOM 369 CA LYS A 24 4.809 -10.017 3.147 1.00 0.00 C ATOM 370 C LYS A 24 6.339 -9.914 3.149 1.00 0.00 C ATOM 371 O LYS A 24 7.002 -10.826 3.649 1.00 0.00 O ATOM 372 CB LYS A 24 4.308 -10.422 1.751 1.00 0.00 C ATOM 373 CG LYS A 24 2.797 -10.653 1.606 1.00 0.00 C ATOM 374 CD LYS A 24 2.418 -10.785 0.119 1.00 0.00 C ATOM 375 CE LYS A 24 0.907 -10.970 -0.070 1.00 0.00 C ATOM 376 NZ LYS A 24 0.539 -11.225 -1.481 1.00 0.00 N ATOM 0 H LYS A 24 3.527 -8.346 2.983 1.00 0.00 H new ATOM 0 HA LYS A 24 4.492 -10.796 3.841 1.00 0.00 H new ATOM 0 HB2 LYS A 24 4.604 -9.647 1.044 1.00 0.00 H new ATOM 0 HB3 LYS A 24 4.823 -11.336 1.456 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.507 -11.555 2.144 1.00 0.00 H new ATOM 0 HG3 LYS A 24 2.250 -9.824 2.056 1.00 0.00 H new ATOM 0 HD2 LYS A 24 2.745 -9.896 -0.420 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.945 -11.634 -0.316 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.566 -11.801 0.547 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.388 -10.078 0.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.493 -11.326 -1.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.854 -10.429 -2.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.997 -12.100 -1.807 1.00 0.00 H new ATOM 390 N VAL A 25 6.889 -8.820 2.618 1.00 0.00 N ATOM 391 CA VAL A 25 8.327 -8.620 2.567 1.00 0.00 C ATOM 392 C VAL A 25 8.840 -8.151 3.939 1.00 0.00 C ATOM 393 O VAL A 25 8.360 -7.142 4.464 1.00 0.00 O ATOM 394 CB VAL A 25 8.699 -7.683 1.400 1.00 0.00 C ATOM 395 CG1 VAL A 25 7.996 -6.320 1.435 1.00 0.00 C ATOM 396 CG2 VAL A 25 10.210 -7.464 1.296 1.00 0.00 C ATOM 0 H VAL A 25 6.348 -8.055 2.215 1.00 0.00 H new ATOM 0 HA VAL A 25 8.832 -9.563 2.360 1.00 0.00 H new ATOM 0 HB VAL A 25 8.341 -8.210 0.516 1.00 0.00 H new ATOM 0 HG11 VAL A 25 8.314 -5.724 0.579 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.917 -6.466 1.394 1.00 0.00 H new ATOM 0 HG13 VAL A 25 8.257 -5.800 2.356 1.00 0.00 H new ATOM 0 HG21 VAL A 25 10.424 -6.798 0.460 1.00 0.00 H new ATOM 0 HG22 VAL A 25 10.577 -7.017 2.220 1.00 0.00 H new ATOM 0 HG23 VAL A 25 10.706 -8.421 1.134 1.00 0.00 H new ATOM 406 N PRO A 26 9.791 -8.867 4.562 1.00 0.00 N ATOM 407 CA PRO A 26 10.337 -8.457 5.847 1.00 0.00 C ATOM 408 C PRO A 26 11.294 -7.272 5.641 1.00 0.00 C ATOM 409 O PRO A 26 11.821 -7.080 4.541 1.00 0.00 O ATOM 410 CB PRO A 26 11.094 -9.690 6.347 1.00 0.00 C ATOM 411 CG PRO A 26 11.567 -10.382 5.070 1.00 0.00 C ATOM 412 CD PRO A 26 10.446 -10.078 4.080 1.00 0.00 C ATOM 0 HA PRO A 26 9.575 -8.132 6.556 1.00 0.00 H new ATOM 0 HB2 PRO A 26 11.934 -9.411 6.983 1.00 0.00 H new ATOM 0 HB3 PRO A 26 10.449 -10.341 6.937 1.00 0.00 H new ATOM 0 HG2 PRO A 26 12.525 -9.989 4.729 1.00 0.00 H new ATOM 0 HG3 PRO A 26 11.697 -11.454 5.216 1.00 0.00 H new ATOM 0 HD2 PRO A 26 10.843 -9.932 3.076 1.00 0.00 H new ATOM 0 HD3 PRO A 26 9.740 -10.907 4.026 1.00 0.00 H new ATOM 420 N GLY A 27 11.544 -6.480 6.686 1.00 0.00 N ATOM 421 CA GLY A 27 12.460 -5.345 6.621 1.00 0.00 C ATOM 422 C GLY A 27 11.825 -3.962 6.701 1.00 0.00 C ATOM 423 O GLY A 27 11.971 -3.320 7.741 1.00 0.00 O ATOM 0 H GLY A 27 11.115 -6.610 7.602 1.00 0.00 H new ATOM 0 HA2 GLY A 27 13.180 -5.439 7.434 1.00 0.00 H new ATOM 0 HA3 GLY A 27 13.021 -5.411 5.689 1.00 0.00 H new ATOM 427 N VAL A 28 11.093 -3.518 5.669 1.00 0.00 N ATOM 428 CA VAL A 28 10.486 -2.181 5.627 1.00 0.00 C ATOM 429 C VAL A 28 9.694 -1.856 6.895 1.00 0.00 C ATOM 430 O VAL A 28 10.034 -0.894 7.578 1.00 0.00 O ATOM 431 CB VAL A 28 9.623 -1.986 4.359 1.00 0.00 C ATOM 432 CG1 VAL A 28 9.220 -0.509 4.235 1.00 0.00 C ATOM 433 CG2 VAL A 28 10.330 -2.383 3.057 1.00 0.00 C ATOM 0 H VAL A 28 10.905 -4.078 4.838 1.00 0.00 H new ATOM 0 HA VAL A 28 11.311 -1.470 5.581 1.00 0.00 H new ATOM 0 HB VAL A 28 8.762 -2.642 4.484 1.00 0.00 H new ATOM 0 HG11 VAL A 28 8.612 -0.372 3.341 1.00 0.00 H new ATOM 0 HG12 VAL A 28 8.646 -0.213 5.113 1.00 0.00 H new ATOM 0 HG13 VAL A 28 10.116 0.108 4.162 1.00 0.00 H new ATOM 0 HG21 VAL A 28 9.660 -2.217 2.214 1.00 0.00 H new ATOM 0 HG22 VAL A 28 11.228 -1.778 2.931 1.00 0.00 H new ATOM 0 HG23 VAL A 28 10.606 -3.437 3.099 1.00 0.00 H new ATOM 443 N GLU A 29 8.697 -2.669 7.247 1.00 0.00 N ATOM 444 CA GLU A 29 7.812 -2.570 8.415 1.00 0.00 C ATOM 445 C GLU A 29 7.033 -1.251 8.630 1.00 0.00 C ATOM 446 O GLU A 29 5.938 -1.298 9.198 1.00 0.00 O ATOM 447 CB GLU A 29 8.573 -2.979 9.691 1.00 0.00 C ATOM 448 CG GLU A 29 9.275 -4.352 9.637 1.00 0.00 C ATOM 449 CD GLU A 29 8.331 -5.556 9.693 1.00 0.00 C ATOM 450 OE1 GLU A 29 7.390 -5.669 8.879 1.00 0.00 O ATOM 451 OE2 GLU A 29 8.543 -6.434 10.567 1.00 0.00 O ATOM 0 H GLU A 29 8.466 -3.482 6.677 1.00 0.00 H new ATOM 0 HA GLU A 29 7.011 -3.272 8.183 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.322 -2.216 9.906 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.872 -2.982 10.526 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.861 -4.409 8.720 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.977 -4.419 10.468 1.00 0.00 H new ATOM 458 N LYS A 30 7.507 -0.098 8.154 1.00 0.00 N ATOM 459 CA LYS A 30 6.886 1.214 8.307 1.00 0.00 C ATOM 460 C LYS A 30 6.053 1.560 7.077 1.00 0.00 C ATOM 461 O LYS A 30 6.601 1.805 5.997 1.00 0.00 O ATOM 462 CB LYS A 30 7.982 2.272 8.524 1.00 0.00 C ATOM 463 CG LYS A 30 8.780 2.113 9.830 1.00 0.00 C ATOM 464 CD LYS A 30 7.997 2.660 11.030 1.00 0.00 C ATOM 465 CE LYS A 30 8.784 2.534 12.336 1.00 0.00 C ATOM 466 NZ LYS A 30 8.809 1.152 12.859 1.00 0.00 N ATOM 0 H LYS A 30 8.378 -0.055 7.625 1.00 0.00 H new ATOM 0 HA LYS A 30 6.222 1.197 9.171 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.675 2.235 7.684 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.521 3.260 8.514 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.010 1.060 9.992 1.00 0.00 H new ATOM 0 HG3 LYS A 30 9.731 2.638 9.744 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.751 3.707 10.855 1.00 0.00 H new ATOM 0 HD3 LYS A 30 7.053 2.122 11.122 1.00 0.00 H new ATOM 0 HE2 LYS A 30 9.807 2.874 12.173 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.344 3.193 13.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 9.355 1.125 13.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 7.836 0.833 13.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.253 0.524 12.159 1.00 0.00 H new ATOM 480 N VAL A 31 4.735 1.462 7.219 1.00 0.00 N ATOM 481 CA VAL A 31 3.744 1.764 6.202 1.00 0.00 C ATOM 482 C VAL A 31 2.575 2.371 6.965 1.00 0.00 C ATOM 483 O VAL A 31 1.992 1.703 7.822 1.00 0.00 O ATOM 484 CB VAL A 31 3.341 0.530 5.365 1.00 0.00 C ATOM 485 CG1 VAL A 31 4.336 0.308 4.224 1.00 0.00 C ATOM 486 CG2 VAL A 31 3.214 -0.792 6.142 1.00 0.00 C ATOM 0 H VAL A 31 4.311 1.153 8.094 1.00 0.00 H new ATOM 0 HA VAL A 31 4.136 2.453 5.454 1.00 0.00 H new ATOM 0 HB VAL A 31 2.343 0.777 5.002 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.036 -0.565 3.645 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.349 1.185 3.577 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.332 0.146 4.636 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.927 -1.590 5.457 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.171 -1.036 6.604 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.454 -0.687 6.916 1.00 0.00 H new ATOM 496 N GLU A 32 2.221 3.616 6.661 1.00 0.00 N ATOM 497 CA GLU A 32 1.147 4.326 7.327 1.00 0.00 C ATOM 498 C GLU A 32 0.027 4.471 6.301 1.00 0.00 C ATOM 499 O GLU A 32 0.170 5.199 5.314 1.00 0.00 O ATOM 500 CB GLU A 32 1.686 5.688 7.818 1.00 0.00 C ATOM 501 CG GLU A 32 2.763 5.632 8.919 1.00 0.00 C ATOM 502 CD GLU A 32 4.006 4.788 8.597 1.00 0.00 C ATOM 503 OE1 GLU A 32 4.698 5.092 7.600 1.00 0.00 O ATOM 504 OE2 GLU A 32 4.264 3.823 9.364 1.00 0.00 O ATOM 0 H GLU A 32 2.682 4.163 5.934 1.00 0.00 H new ATOM 0 HA GLU A 32 0.764 3.802 8.203 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.097 6.223 6.962 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.846 6.276 8.188 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.085 6.650 9.138 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.306 5.240 9.828 1.00 0.00 H new ATOM 511 N VAL A 33 -1.129 3.868 6.571 1.00 0.00 N ATOM 512 CA VAL A 33 -2.291 3.874 5.688 1.00 0.00 C ATOM 513 C VAL A 33 -3.317 4.900 6.165 1.00 0.00 C ATOM 514 O VAL A 33 -3.729 4.868 7.328 1.00 0.00 O ATOM 515 CB VAL A 33 -2.890 2.453 5.614 1.00 0.00 C ATOM 516 CG1 VAL A 33 -3.977 2.379 4.534 1.00 0.00 C ATOM 517 CG2 VAL A 33 -1.830 1.380 5.305 1.00 0.00 C ATOM 0 H VAL A 33 -1.286 3.348 7.434 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.986 4.166 4.683 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.313 2.252 6.598 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -4.386 1.369 4.498 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.773 3.085 4.770 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.545 2.630 3.565 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.305 0.400 5.264 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.362 1.597 4.345 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.071 1.383 6.087 1.00 0.00 H new ATOM 527 N SER A 34 -3.709 5.809 5.271 1.00 0.00 N ATOM 528 CA SER A 34 -4.684 6.842 5.553 1.00 0.00 C ATOM 529 C SER A 34 -6.071 6.200 5.658 1.00 0.00 C ATOM 530 O SER A 34 -6.440 5.320 4.877 1.00 0.00 O ATOM 531 CB SER A 34 -4.619 7.892 4.437 1.00 0.00 C ATOM 532 OG SER A 34 -5.329 9.072 4.770 1.00 0.00 O ATOM 0 H SER A 34 -3.347 5.841 4.318 1.00 0.00 H new ATOM 0 HA SER A 34 -4.474 7.339 6.500 1.00 0.00 H new ATOM 0 HB2 SER A 34 -3.577 8.142 4.236 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.029 7.470 3.519 1.00 0.00 H new ATOM 0 HG SER A 34 -5.260 9.714 4.033 1.00 0.00 H new ATOM 538 N LEU A 35 -6.806 6.564 6.704 1.00 0.00 N ATOM 539 CA LEU A 35 -8.161 6.094 6.961 1.00 0.00 C ATOM 540 C LEU A 35 -9.154 6.756 5.997 1.00 0.00 C ATOM 541 O LEU A 35 -10.104 6.122 5.534 1.00 0.00 O ATOM 542 CB LEU A 35 -8.524 6.371 8.429 1.00 0.00 C ATOM 543 CG LEU A 35 -8.069 5.263 9.404 1.00 0.00 C ATOM 544 CD1 LEU A 35 -6.585 4.892 9.295 1.00 0.00 C ATOM 545 CD2 LEU A 35 -8.341 5.711 10.841 1.00 0.00 C ATOM 0 H LEU A 35 -6.466 7.211 7.415 1.00 0.00 H new ATOM 0 HA LEU A 35 -8.215 5.019 6.788 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -8.074 7.316 8.733 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -9.604 6.492 8.510 1.00 0.00 H new ATOM 0 HG LEU A 35 -8.641 4.376 9.130 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.352 4.107 10.015 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.372 4.535 8.287 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.974 5.770 9.505 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -8.021 4.931 11.532 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.788 6.628 11.047 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -9.408 5.894 10.969 1.00 0.00 H new ATOM 557 N GLU A 36 -8.957 8.041 5.700 1.00 0.00 N ATOM 558 CA GLU A 36 -9.831 8.806 4.823 1.00 0.00 C ATOM 559 C GLU A 36 -9.597 8.537 3.334 1.00 0.00 C ATOM 560 O GLU A 36 -10.562 8.411 2.576 1.00 0.00 O ATOM 561 CB GLU A 36 -9.632 10.299 5.118 1.00 0.00 C ATOM 562 CG GLU A 36 -10.741 11.152 4.490 1.00 0.00 C ATOM 563 CD GLU A 36 -10.489 12.651 4.582 1.00 0.00 C ATOM 564 OE1 GLU A 36 -9.920 13.103 5.603 1.00 0.00 O ATOM 565 OE2 GLU A 36 -10.909 13.358 3.635 1.00 0.00 O ATOM 0 H GLU A 36 -8.175 8.582 6.069 1.00 0.00 H new ATOM 0 HA GLU A 36 -10.854 8.491 5.029 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -9.616 10.458 6.196 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -8.664 10.620 4.734 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -10.850 10.875 3.441 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -11.686 10.921 4.981 1.00 0.00 H new ATOM 572 N LYS A 37 -8.337 8.526 2.886 1.00 0.00 N ATOM 573 CA LYS A 37 -7.990 8.308 1.479 1.00 0.00 C ATOM 574 C LYS A 37 -7.375 6.934 1.292 1.00 0.00 C ATOM 575 O LYS A 37 -7.054 6.263 2.265 1.00 0.00 O ATOM 576 CB LYS A 37 -7.032 9.410 0.991 1.00 0.00 C ATOM 577 CG LYS A 37 -7.516 10.854 1.204 1.00 0.00 C ATOM 578 CD LYS A 37 -8.959 11.088 0.740 1.00 0.00 C ATOM 579 CE LYS A 37 -9.255 12.583 0.613 1.00 0.00 C ATOM 580 NZ LYS A 37 -10.678 12.803 0.306 1.00 0.00 N ATOM 0 H LYS A 37 -7.528 8.668 3.491 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.900 8.355 0.881 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.076 9.287 1.501 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -6.847 9.261 -0.073 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -7.438 11.103 2.262 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.855 11.534 0.667 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.121 10.598 -0.220 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.652 10.635 1.449 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.994 13.091 1.541 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.636 13.017 -0.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -10.862 13.823 0.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.916 12.334 -0.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -11.263 12.407 1.069 1.00 0.00 H new ATOM 594 N GLY A 38 -7.167 6.515 0.047 1.00 0.00 N ATOM 595 CA GLY A 38 -6.575 5.222 -0.267 1.00 0.00 C ATOM 596 C GLY A 38 -5.055 5.302 -0.351 1.00 0.00 C ATOM 597 O GLY A 38 -4.442 4.396 -0.912 1.00 0.00 O ATOM 0 H GLY A 38 -7.407 7.068 -0.776 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -6.859 4.497 0.496 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -6.973 4.860 -1.215 1.00 0.00 H new ATOM 601 N GLU A 39 -4.436 6.367 0.164 1.00 0.00 N ATOM 602 CA GLU A 39 -2.997 6.553 0.120 1.00 0.00 C ATOM 603 C GLU A 39 -2.350 5.955 1.367 1.00 0.00 C ATOM 604 O GLU A 39 -2.823 6.136 2.492 1.00 0.00 O ATOM 605 CB GLU A 39 -2.699 8.051 -0.035 1.00 0.00 C ATOM 606 CG GLU A 39 -1.244 8.321 -0.452 1.00 0.00 C ATOM 607 CD GLU A 39 -1.012 9.796 -0.776 1.00 0.00 C ATOM 608 OE1 GLU A 39 -1.551 10.664 -0.052 1.00 0.00 O ATOM 609 OE2 GLU A 39 -0.226 10.111 -1.697 1.00 0.00 O ATOM 0 H GLU A 39 -4.932 7.129 0.627 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.569 6.030 -0.735 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.372 8.477 -0.779 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.904 8.558 0.908 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -0.573 8.015 0.351 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.997 7.714 -1.323 1.00 0.00 H new ATOM 616 N ALA A 40 -1.257 5.237 1.137 1.00 0.00 N ATOM 617 CA ALA A 40 -0.442 4.564 2.113 1.00 0.00 C ATOM 618 C ALA A 40 1.003 5.003 1.894 1.00 0.00 C ATOM 619 O ALA A 40 1.607 4.772 0.839 1.00 0.00 O ATOM 620 CB ALA A 40 -0.612 3.049 1.967 1.00 0.00 C ATOM 0 H ALA A 40 -0.900 5.107 0.190 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.740 4.823 3.129 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.006 2.541 2.707 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.658 2.783 2.123 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.306 2.743 0.967 1.00 0.00 H new ATOM 626 N LEU A 41 1.539 5.700 2.883 1.00 0.00 N ATOM 627 CA LEU A 41 2.900 6.201 2.927 1.00 0.00 C ATOM 628 C LEU A 41 3.785 5.010 3.282 1.00 0.00 C ATOM 629 O LEU A 41 3.333 4.103 3.981 1.00 0.00 O ATOM 630 CB LEU A 41 3.058 7.266 4.024 1.00 0.00 C ATOM 631 CG LEU A 41 2.431 8.645 3.749 1.00 0.00 C ATOM 632 CD1 LEU A 41 0.906 8.618 3.573 1.00 0.00 C ATOM 633 CD2 LEU A 41 2.760 9.561 4.929 1.00 0.00 C ATOM 0 H LEU A 41 1.008 5.943 3.719 1.00 0.00 H new ATOM 0 HA LEU A 41 3.166 6.653 1.971 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.624 6.873 4.944 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.123 7.408 4.209 1.00 0.00 H new ATOM 0 HG LEU A 41 2.849 9.000 2.807 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.544 9.628 3.383 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.648 7.976 2.731 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.442 8.231 4.480 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.326 10.546 4.757 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.348 9.137 5.845 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.842 9.654 5.027 1.00 0.00 H new ATOM 645 N VAL A 42 4.999 4.949 2.748 1.00 0.00 N ATOM 646 CA VAL A 42 5.941 3.882 3.047 1.00 0.00 C ATOM 647 C VAL A 42 7.251 4.553 3.428 1.00 0.00 C ATOM 648 O VAL A 42 7.676 5.517 2.782 1.00 0.00 O ATOM 649 CB VAL A 42 6.069 2.867 1.889 1.00 0.00 C ATOM 650 CG1 VAL A 42 6.334 3.501 0.521 1.00 0.00 C ATOM 651 CG2 VAL A 42 7.165 1.835 2.190 1.00 0.00 C ATOM 0 H VAL A 42 5.358 5.643 2.092 1.00 0.00 H new ATOM 0 HA VAL A 42 5.591 3.270 3.878 1.00 0.00 H new ATOM 0 HB VAL A 42 5.094 2.384 1.826 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.410 2.719 -0.234 1.00 0.00 H new ATOM 0 HG12 VAL A 42 5.514 4.173 0.266 1.00 0.00 H new ATOM 0 HG13 VAL A 42 7.267 4.064 0.555 1.00 0.00 H new ATOM 0 HG21 VAL A 42 7.238 1.130 1.362 1.00 0.00 H new ATOM 0 HG22 VAL A 42 8.120 2.345 2.318 1.00 0.00 H new ATOM 0 HG23 VAL A 42 6.916 1.296 3.104 1.00 0.00 H new ATOM 661 N GLU A 43 7.904 4.030 4.460 1.00 0.00 N ATOM 662 CA GLU A 43 9.170 4.523 4.954 1.00 0.00 C ATOM 663 C GLU A 43 10.154 3.373 4.766 1.00 0.00 C ATOM 664 O GLU A 43 10.158 2.403 5.522 1.00 0.00 O ATOM 665 CB GLU A 43 9.011 4.980 6.410 1.00 0.00 C ATOM 666 CG GLU A 43 8.979 6.507 6.485 1.00 0.00 C ATOM 667 CD GLU A 43 9.028 6.980 7.931 1.00 0.00 C ATOM 668 OE1 GLU A 43 10.158 6.998 8.474 1.00 0.00 O ATOM 669 OE2 GLU A 43 7.987 7.380 8.502 1.00 0.00 O ATOM 0 H GLU A 43 7.552 3.230 4.985 1.00 0.00 H new ATOM 0 HA GLU A 43 9.538 5.400 4.421 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.093 4.569 6.829 1.00 0.00 H new ATOM 0 HB3 GLU A 43 9.835 4.597 7.011 1.00 0.00 H new ATOM 0 HG2 GLU A 43 9.824 6.920 5.934 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.073 6.880 6.006 1.00 0.00 H new ATOM 676 N GLY A 44 11.003 3.507 3.752 1.00 0.00 N ATOM 677 CA GLY A 44 12.024 2.561 3.346 1.00 0.00 C ATOM 678 C GLY A 44 12.494 2.928 1.938 1.00 0.00 C ATOM 679 O GLY A 44 12.171 4.015 1.438 1.00 0.00 O ATOM 0 H GLY A 44 10.991 4.335 3.156 1.00 0.00 H new ATOM 0 HA2 GLY A 44 12.862 2.585 4.043 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.627 1.546 3.360 1.00 0.00 H new ATOM 683 N THR A 45 13.222 2.019 1.294 1.00 0.00 N ATOM 684 CA THR A 45 13.789 2.161 -0.047 1.00 0.00 C ATOM 685 C THR A 45 13.245 1.142 -1.059 1.00 0.00 C ATOM 686 O THR A 45 13.578 1.242 -2.244 1.00 0.00 O ATOM 687 CB THR A 45 15.310 1.969 0.059 1.00 0.00 C ATOM 688 OG1 THR A 45 15.550 0.754 0.736 1.00 0.00 O ATOM 689 CG2 THR A 45 16.003 3.108 0.808 1.00 0.00 C ATOM 0 H THR A 45 13.444 1.117 1.714 1.00 0.00 H new ATOM 0 HA THR A 45 13.512 3.150 -0.412 1.00 0.00 H new ATOM 0 HB THR A 45 15.721 1.959 -0.951 1.00 0.00 H new ATOM 0 HG1 THR A 45 16.516 0.609 0.814 1.00 0.00 H new ATOM 0 HG21 THR A 45 17.075 2.916 0.851 1.00 0.00 H new ATOM 0 HG22 THR A 45 15.823 4.048 0.287 1.00 0.00 H new ATOM 0 HG23 THR A 45 15.606 3.172 1.821 1.00 0.00 H new ATOM 697 N ALA A 46 12.370 0.214 -0.653 1.00 0.00 N ATOM 698 CA ALA A 46 11.826 -0.822 -1.524 1.00 0.00 C ATOM 699 C ALA A 46 11.253 -0.242 -2.814 1.00 0.00 C ATOM 700 O ALA A 46 10.500 0.733 -2.783 1.00 0.00 O ATOM 701 CB ALA A 46 10.776 -1.636 -0.764 1.00 0.00 C ATOM 0 H ALA A 46 12.018 0.165 0.303 1.00 0.00 H new ATOM 0 HA ALA A 46 12.641 -1.483 -1.818 1.00 0.00 H new ATOM 0 HB1 ALA A 46 10.372 -2.409 -1.418 1.00 0.00 H new ATOM 0 HB2 ALA A 46 11.237 -2.102 0.107 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.970 -0.978 -0.439 1.00 0.00 H new ATOM 707 N ASP A 47 11.645 -0.854 -3.933 1.00 0.00 N ATOM 708 CA ASP A 47 11.263 -0.500 -5.296 1.00 0.00 C ATOM 709 C ASP A 47 9.745 -0.391 -5.417 1.00 0.00 C ATOM 710 O ASP A 47 9.052 -1.354 -5.080 1.00 0.00 O ATOM 711 CB ASP A 47 11.777 -1.559 -6.284 1.00 0.00 C ATOM 712 CG ASP A 47 13.069 -1.124 -6.960 1.00 0.00 C ATOM 713 OD1 ASP A 47 14.049 -0.796 -6.254 1.00 0.00 O ATOM 714 OD2 ASP A 47 13.114 -1.151 -8.207 1.00 0.00 O ATOM 0 H ASP A 47 12.274 -1.656 -3.908 1.00 0.00 H new ATOM 0 HA ASP A 47 11.710 0.465 -5.534 1.00 0.00 H new ATOM 0 HB2 ASP A 47 11.942 -2.498 -5.756 1.00 0.00 H new ATOM 0 HB3 ASP A 47 11.017 -1.748 -7.042 1.00 0.00 H new ATOM 719 N PRO A 48 9.193 0.725 -5.923 1.00 0.00 N ATOM 720 CA PRO A 48 7.752 0.873 -6.041 1.00 0.00 C ATOM 721 C PRO A 48 7.115 -0.210 -6.912 1.00 0.00 C ATOM 722 O PRO A 48 6.002 -0.626 -6.595 1.00 0.00 O ATOM 723 CB PRO A 48 7.513 2.285 -6.572 1.00 0.00 C ATOM 724 CG PRO A 48 8.833 2.666 -7.225 1.00 0.00 C ATOM 725 CD PRO A 48 9.866 1.932 -6.374 1.00 0.00 C ATOM 0 HA PRO A 48 7.268 0.741 -5.073 1.00 0.00 H new ATOM 0 HB2 PRO A 48 6.693 2.307 -7.289 1.00 0.00 H new ATOM 0 HB3 PRO A 48 7.253 2.974 -5.769 1.00 0.00 H new ATOM 0 HG2 PRO A 48 8.873 2.351 -8.268 1.00 0.00 H new ATOM 0 HG3 PRO A 48 8.993 3.744 -7.212 1.00 0.00 H new ATOM 0 HD2 PRO A 48 10.757 1.693 -6.954 1.00 0.00 H new ATOM 0 HD3 PRO A 48 10.188 2.543 -5.531 1.00 0.00 H new ATOM 733 N LYS A 49 7.787 -0.714 -7.961 1.00 0.00 N ATOM 734 CA LYS A 49 7.191 -1.760 -8.793 1.00 0.00 C ATOM 735 C LYS A 49 6.904 -3.022 -7.979 1.00 0.00 C ATOM 736 O LYS A 49 5.979 -3.750 -8.331 1.00 0.00 O ATOM 737 CB LYS A 49 8.044 -2.060 -10.042 1.00 0.00 C ATOM 738 CG LYS A 49 9.234 -3.016 -9.823 1.00 0.00 C ATOM 739 CD LYS A 49 10.002 -3.218 -11.136 1.00 0.00 C ATOM 740 CE LYS A 49 11.049 -4.339 -11.071 1.00 0.00 C ATOM 741 NZ LYS A 49 10.462 -5.690 -10.960 1.00 0.00 N ATOM 0 H LYS A 49 8.721 -0.419 -8.244 1.00 0.00 H new ATOM 0 HA LYS A 49 6.234 -1.382 -9.153 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.396 -2.485 -10.809 1.00 0.00 H new ATOM 0 HB3 LYS A 49 8.426 -1.117 -10.434 1.00 0.00 H new ATOM 0 HG2 LYS A 49 9.901 -2.610 -9.062 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.875 -3.976 -9.452 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.291 -3.442 -11.932 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.497 -2.285 -11.404 1.00 0.00 H new ATOM 0 HE2 LYS A 49 11.672 -4.295 -11.964 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.703 -4.165 -10.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 11.220 -6.401 -10.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 9.945 -5.771 -10.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.807 -5.850 -11.752 1.00 0.00 H new ATOM 755 N ALA A 50 7.698 -3.299 -6.939 1.00 0.00 N ATOM 756 CA ALA A 50 7.529 -4.466 -6.090 1.00 0.00 C ATOM 757 C ALA A 50 6.295 -4.302 -5.206 1.00 0.00 C ATOM 758 O ALA A 50 5.507 -5.235 -5.097 1.00 0.00 O ATOM 759 CB ALA A 50 8.784 -4.698 -5.239 1.00 0.00 C ATOM 0 H ALA A 50 8.483 -2.707 -6.666 1.00 0.00 H new ATOM 0 HA ALA A 50 7.384 -5.341 -6.723 1.00 0.00 H new ATOM 0 HB1 ALA A 50 8.640 -5.576 -4.609 1.00 0.00 H new ATOM 0 HB2 ALA A 50 9.642 -4.857 -5.892 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.963 -3.826 -4.610 1.00 0.00 H new ATOM 765 N LEU A 51 6.110 -3.123 -4.598 1.00 0.00 N ATOM 766 CA LEU A 51 4.965 -2.845 -3.730 1.00 0.00 C ATOM 767 C LEU A 51 3.684 -2.893 -4.549 1.00 0.00 C ATOM 768 O LEU A 51 2.743 -3.617 -4.200 1.00 0.00 O ATOM 769 CB LEU A 51 5.074 -1.467 -3.060 1.00 0.00 C ATOM 770 CG LEU A 51 6.020 -1.372 -1.855 1.00 0.00 C ATOM 771 CD1 LEU A 51 7.494 -1.584 -2.195 1.00 0.00 C ATOM 772 CD2 LEU A 51 5.885 0.025 -1.241 1.00 0.00 C ATOM 0 H LEU A 51 6.752 -2.336 -4.696 1.00 0.00 H new ATOM 0 HA LEU A 51 4.952 -3.604 -2.948 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.401 -0.746 -3.810 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.078 -1.163 -2.738 1.00 0.00 H new ATOM 0 HG LEU A 51 5.727 -2.171 -1.173 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.092 -1.500 -1.288 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.629 -2.575 -2.628 1.00 0.00 H new ATOM 0 HD13 LEU A 51 7.814 -0.828 -2.912 1.00 0.00 H new ATOM 0 HD21 LEU A 51 6.551 0.111 -0.382 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.152 0.776 -1.984 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.856 0.183 -0.919 1.00 0.00 H new ATOM 784 N VAL A 52 3.654 -2.111 -5.636 1.00 0.00 N ATOM 785 CA VAL A 52 2.507 -2.057 -6.527 1.00 0.00 C ATOM 786 C VAL A 52 2.210 -3.489 -6.962 1.00 0.00 C ATOM 787 O VAL A 52 1.046 -3.870 -6.946 1.00 0.00 O ATOM 788 CB VAL A 52 2.738 -1.078 -7.696 1.00 0.00 C ATOM 789 CG1 VAL A 52 1.566 -1.089 -8.688 1.00 0.00 C ATOM 790 CG2 VAL A 52 2.884 0.371 -7.202 1.00 0.00 C ATOM 0 H VAL A 52 4.425 -1.504 -5.914 1.00 0.00 H new ATOM 0 HA VAL A 52 1.630 -1.655 -6.020 1.00 0.00 H new ATOM 0 HB VAL A 52 3.654 -1.414 -8.181 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.767 -0.386 -9.497 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.447 -2.091 -9.099 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.651 -0.797 -8.173 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.045 1.031 -8.054 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.976 0.670 -6.678 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.734 0.440 -6.523 1.00 0.00 H new ATOM 800 N GLN A 53 3.225 -4.297 -7.310 1.00 0.00 N ATOM 801 CA GLN A 53 2.937 -5.664 -7.699 1.00 0.00 C ATOM 802 C GLN A 53 2.387 -6.466 -6.521 1.00 0.00 C ATOM 803 O GLN A 53 1.425 -7.186 -6.726 1.00 0.00 O ATOM 804 CB GLN A 53 4.145 -6.348 -8.345 1.00 0.00 C ATOM 805 CG GLN A 53 3.749 -7.644 -9.073 1.00 0.00 C ATOM 806 CD GLN A 53 2.650 -7.438 -10.127 1.00 0.00 C ATOM 807 OE1 GLN A 53 1.769 -8.268 -10.307 1.00 0.00 O ATOM 808 NE2 GLN A 53 2.676 -6.333 -10.862 1.00 0.00 N ATOM 0 H GLN A 53 4.210 -4.032 -7.327 1.00 0.00 H new ATOM 0 HA GLN A 53 2.161 -5.628 -8.463 1.00 0.00 H new ATOM 0 HB2 GLN A 53 4.615 -5.664 -9.052 1.00 0.00 H new ATOM 0 HB3 GLN A 53 4.887 -6.574 -7.579 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.631 -8.065 -9.555 1.00 0.00 H new ATOM 0 HG3 GLN A 53 3.407 -8.374 -8.340 1.00 0.00 H new ATOM 0 HE21 GLN A 53 3.409 -5.639 -10.714 1.00 0.00 H new ATOM 0 HE22 GLN A 53 1.963 -6.178 -11.575 1.00 0.00 H new ATOM 817 N ALA A 54 2.935 -6.334 -5.307 1.00 0.00 N ATOM 818 CA ALA A 54 2.454 -7.071 -4.143 1.00 0.00 C ATOM 819 C ALA A 54 0.959 -6.865 -3.950 1.00 0.00 C ATOM 820 O ALA A 54 0.262 -7.834 -3.630 1.00 0.00 O ATOM 821 CB ALA A 54 3.240 -6.690 -2.891 1.00 0.00 C ATOM 0 H ALA A 54 3.721 -5.715 -5.109 1.00 0.00 H new ATOM 0 HA ALA A 54 2.619 -8.134 -4.321 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.861 -7.253 -2.038 1.00 0.00 H new ATOM 0 HB2 ALA A 54 4.295 -6.921 -3.039 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.126 -5.623 -2.700 1.00 0.00 H new ATOM 827 N VAL A 55 0.458 -5.640 -4.130 1.00 0.00 N ATOM 828 CA VAL A 55 -0.986 -5.410 -3.989 1.00 0.00 C ATOM 829 C VAL A 55 -1.741 -5.824 -5.275 1.00 0.00 C ATOM 830 O VAL A 55 -2.854 -6.350 -5.198 1.00 0.00 O ATOM 831 CB VAL A 55 -1.283 -3.996 -3.459 1.00 0.00 C ATOM 832 CG1 VAL A 55 -0.827 -3.883 -1.997 1.00 0.00 C ATOM 833 CG2 VAL A 55 -0.618 -2.862 -4.252 1.00 0.00 C ATOM 0 H VAL A 55 1.009 -4.814 -4.366 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.387 -6.066 -3.216 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.361 -3.872 -3.565 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.039 -2.880 -1.626 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.362 -4.615 -1.391 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.244 -4.074 -1.934 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.883 -1.903 -3.807 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.465 -2.987 -4.227 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.963 -2.890 -5.286 1.00 0.00 H new ATOM 843 N GLU A 56 -1.142 -5.661 -6.460 1.00 0.00 N ATOM 844 CA GLU A 56 -1.721 -6.014 -7.758 1.00 0.00 C ATOM 845 C GLU A 56 -1.838 -7.538 -7.939 1.00 0.00 C ATOM 846 O GLU A 56 -2.628 -8.004 -8.763 1.00 0.00 O ATOM 847 CB GLU A 56 -0.871 -5.370 -8.865 1.00 0.00 C ATOM 848 CG GLU A 56 -1.411 -5.500 -10.290 1.00 0.00 C ATOM 849 CD GLU A 56 -0.566 -4.661 -11.253 1.00 0.00 C ATOM 850 OE1 GLU A 56 -0.821 -3.433 -11.341 1.00 0.00 O ATOM 851 OE2 GLU A 56 0.340 -5.214 -11.919 1.00 0.00 O ATOM 0 H GLU A 56 -0.206 -5.265 -6.543 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.739 -5.629 -7.815 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.757 -4.310 -8.637 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.125 -5.812 -8.834 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.397 -6.545 -10.598 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.450 -5.171 -10.325 1.00 0.00 H new ATOM 858 N GLU A 57 -1.070 -8.331 -7.188 1.00 0.00 N ATOM 859 CA GLU A 57 -1.089 -9.794 -7.223 1.00 0.00 C ATOM 860 C GLU A 57 -2.414 -10.286 -6.643 1.00 0.00 C ATOM 861 O GLU A 57 -2.928 -11.317 -7.078 1.00 0.00 O ATOM 862 CB GLU A 57 0.112 -10.371 -6.459 1.00 0.00 C ATOM 863 CG GLU A 57 1.377 -10.344 -7.328 1.00 0.00 C ATOM 864 CD GLU A 57 2.609 -10.774 -6.540 1.00 0.00 C ATOM 865 OE1 GLU A 57 3.203 -9.966 -5.789 1.00 0.00 O ATOM 866 OE2 GLU A 57 2.991 -11.965 -6.622 1.00 0.00 O ATOM 0 H GLU A 57 -0.397 -7.960 -6.518 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.006 -10.139 -8.254 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.279 -9.796 -5.548 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.103 -11.395 -6.155 1.00 0.00 H new ATOM 0 HG2 GLU A 57 1.244 -11.004 -8.185 1.00 0.00 H new ATOM 0 HG3 GLU A 57 1.528 -9.338 -7.720 1.00 0.00 H new ATOM 873 N GLU A 58 -2.966 -9.545 -5.676 1.00 0.00 N ATOM 874 CA GLU A 58 -4.246 -9.850 -5.045 1.00 0.00 C ATOM 875 C GLU A 58 -5.373 -9.458 -6.023 1.00 0.00 C ATOM 876 O GLU A 58 -6.513 -9.913 -5.899 1.00 0.00 O ATOM 877 CB GLU A 58 -4.417 -9.013 -3.762 1.00 0.00 C ATOM 878 CG GLU A 58 -3.294 -9.088 -2.708 1.00 0.00 C ATOM 879 CD GLU A 58 -3.267 -10.372 -1.872 1.00 0.00 C ATOM 880 OE1 GLU A 58 -4.340 -10.915 -1.516 1.00 0.00 O ATOM 881 OE2 GLU A 58 -2.165 -10.796 -1.453 1.00 0.00 O ATOM 0 H GLU A 58 -2.525 -8.703 -5.307 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.284 -10.911 -4.798 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -4.535 -7.970 -4.054 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.348 -9.317 -3.284 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -2.335 -8.983 -3.215 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.393 -8.237 -2.034 1.00 0.00 H new ATOM 888 N GLY A 59 -5.068 -8.604 -7.005 1.00 0.00 N ATOM 889 CA GLY A 59 -5.980 -8.097 -8.017 1.00 0.00 C ATOM 890 C GLY A 59 -6.498 -6.698 -7.683 1.00 0.00 C ATOM 891 O GLY A 59 -7.374 -6.188 -8.387 1.00 0.00 O ATOM 0 H GLY A 59 -4.125 -8.232 -7.115 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.472 -8.073 -8.981 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -6.824 -8.780 -8.118 1.00 0.00 H new ATOM 895 N TYR A 60 -6.051 -6.091 -6.579 1.00 0.00 N ATOM 896 CA TYR A 60 -6.476 -4.746 -6.206 1.00 0.00 C ATOM 897 C TYR A 60 -5.718 -3.768 -7.112 1.00 0.00 C ATOM 898 O TYR A 60 -4.646 -4.084 -7.642 1.00 0.00 O ATOM 899 CB TYR A 60 -6.199 -4.480 -4.714 1.00 0.00 C ATOM 900 CG TYR A 60 -7.285 -4.924 -3.739 1.00 0.00 C ATOM 901 CD1 TYR A 60 -7.855 -6.212 -3.808 1.00 0.00 C ATOM 902 CD2 TYR A 60 -7.706 -4.046 -2.719 1.00 0.00 C ATOM 903 CE1 TYR A 60 -8.835 -6.609 -2.880 1.00 0.00 C ATOM 904 CE2 TYR A 60 -8.680 -4.439 -1.781 1.00 0.00 C ATOM 905 CZ TYR A 60 -9.257 -5.727 -1.861 1.00 0.00 C ATOM 906 OH TYR A 60 -10.200 -6.138 -0.966 1.00 0.00 O ATOM 0 H TYR A 60 -5.391 -6.516 -5.927 1.00 0.00 H new ATOM 0 HA TYR A 60 -7.550 -4.622 -6.342 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -5.270 -4.981 -4.443 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -6.035 -3.411 -4.581 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -7.537 -6.899 -4.579 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -7.275 -3.058 -2.656 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -9.268 -7.596 -2.947 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -8.986 -3.757 -1.001 1.00 0.00 H new ATOM 0 HH TYR A 60 -10.381 -5.417 -0.328 1.00 0.00 H new ATOM 916 N LYS A 61 -6.259 -2.572 -7.323 1.00 0.00 N ATOM 917 CA LYS A 61 -5.625 -1.552 -8.151 1.00 0.00 C ATOM 918 C LYS A 61 -4.696 -0.721 -7.291 1.00 0.00 C ATOM 919 O LYS A 61 -4.954 -0.556 -6.098 1.00 0.00 O ATOM 920 CB LYS A 61 -6.685 -0.625 -8.748 1.00 0.00 C ATOM 921 CG LYS A 61 -7.533 -1.304 -9.823 1.00 0.00 C ATOM 922 CD LYS A 61 -6.726 -1.583 -11.104 1.00 0.00 C ATOM 923 CE LYS A 61 -7.611 -2.082 -12.248 1.00 0.00 C ATOM 924 NZ LYS A 61 -8.716 -1.157 -12.538 1.00 0.00 N ATOM 0 H LYS A 61 -7.152 -2.282 -6.923 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.072 -2.042 -8.952 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.337 -0.266 -7.951 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.195 0.249 -9.177 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.930 -2.241 -9.433 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -8.388 -0.672 -10.064 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -6.214 -0.672 -11.414 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -5.956 -2.325 -10.892 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.004 -2.213 -13.144 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.016 -3.061 -11.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.088 -1.348 -13.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.473 -1.290 -11.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.370 -0.177 -12.492 1.00 0.00 H new ATOM 938 N ALA A 62 -3.631 -0.193 -7.878 1.00 0.00 N ATOM 939 CA ALA A 62 -2.682 0.646 -7.181 1.00 0.00 C ATOM 940 C ALA A 62 -2.062 1.627 -8.163 1.00 0.00 C ATOM 941 O ALA A 62 -2.061 1.402 -9.381 1.00 0.00 O ATOM 942 CB ALA A 62 -1.624 -0.200 -6.465 1.00 0.00 C ATOM 0 H ALA A 62 -3.404 -0.340 -8.862 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.199 1.216 -6.408 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.923 0.455 -5.949 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.110 -0.854 -5.741 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.086 -0.804 -7.195 1.00 0.00 H new ATOM 948 N GLU A 63 -1.537 2.725 -7.627 1.00 0.00 N ATOM 949 CA GLU A 63 -0.879 3.816 -8.335 1.00 0.00 C ATOM 950 C GLU A 63 0.232 4.328 -7.417 1.00 0.00 C ATOM 951 O GLU A 63 0.104 4.273 -6.191 1.00 0.00 O ATOM 952 CB GLU A 63 -1.896 4.925 -8.667 1.00 0.00 C ATOM 953 CG GLU A 63 -2.905 4.460 -9.731 1.00 0.00 C ATOM 954 CD GLU A 63 -4.003 5.471 -10.043 1.00 0.00 C ATOM 955 OE1 GLU A 63 -4.678 5.989 -9.122 1.00 0.00 O ATOM 956 OE2 GLU A 63 -4.299 5.671 -11.244 1.00 0.00 O ATOM 0 H GLU A 63 -1.562 2.886 -6.620 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.459 3.482 -9.284 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.428 5.216 -7.761 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.369 5.809 -9.025 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.366 4.232 -10.651 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.367 3.532 -9.395 1.00 0.00 H new ATOM 963 N VAL A 64 1.321 4.857 -7.976 1.00 0.00 N ATOM 964 CA VAL A 64 2.439 5.350 -7.179 1.00 0.00 C ATOM 965 C VAL A 64 3.001 6.626 -7.806 1.00 0.00 C ATOM 966 O VAL A 64 2.956 6.794 -9.031 1.00 0.00 O ATOM 967 CB VAL A 64 3.439 4.189 -7.009 1.00 0.00 C ATOM 968 CG1 VAL A 64 4.101 3.761 -8.323 1.00 0.00 C ATOM 969 CG2 VAL A 64 4.525 4.495 -5.981 1.00 0.00 C ATOM 0 H VAL A 64 1.450 4.954 -8.983 1.00 0.00 H new ATOM 0 HA VAL A 64 2.143 5.654 -6.175 1.00 0.00 H new ATOM 0 HB VAL A 64 2.831 3.360 -6.647 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.793 2.941 -8.132 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.335 3.434 -9.026 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.647 4.604 -8.747 1.00 0.00 H new ATOM 0 HG21 VAL A 64 5.201 3.644 -5.902 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.085 5.376 -6.295 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.065 4.685 -5.011 1.00 0.00 H new ATOM 979 N LEU A 65 3.502 7.531 -6.966 1.00 0.00 N ATOM 980 CA LEU A 65 4.073 8.823 -7.332 1.00 0.00 C ATOM 981 C LEU A 65 5.194 9.168 -6.362 1.00 0.00 C ATOM 982 O LEU A 65 5.374 8.467 -5.369 1.00 0.00 O ATOM 983 CB LEU A 65 3.001 9.913 -7.170 1.00 0.00 C ATOM 984 CG LEU A 65 1.846 9.879 -8.177 1.00 0.00 C ATOM 985 CD1 LEU A 65 0.858 10.956 -7.743 1.00 0.00 C ATOM 986 CD2 LEU A 65 2.337 10.180 -9.595 1.00 0.00 C ATOM 0 H LEU A 65 3.521 7.372 -5.959 1.00 0.00 H new ATOM 0 HA LEU A 65 4.437 8.771 -8.358 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.583 9.836 -6.166 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.488 10.886 -7.239 1.00 0.00 H new ATOM 0 HG LEU A 65 1.390 8.889 -8.193 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.013 10.973 -8.431 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.502 10.739 -6.736 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.352 11.928 -7.751 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.495 10.148 -10.286 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.790 11.171 -9.620 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.076 9.435 -9.890 1.00 0.00 H new ATOM 998 N ALA A 66 5.953 10.222 -6.657 1.00 0.00 N ATOM 999 CA ALA A 66 7.039 10.713 -5.822 1.00 0.00 C ATOM 1000 C ALA A 66 6.484 11.833 -4.951 1.00 0.00 C ATOM 1001 O ALA A 66 5.525 12.516 -5.375 1.00 0.00 O ATOM 1002 CB ALA A 66 8.186 11.220 -6.697 1.00 0.00 C ATOM 0 H ALA A 66 5.823 10.770 -7.507 1.00 0.00 H new ATOM 0 HA ALA A 66 7.434 9.915 -5.193 1.00 0.00 H new ATOM 0 HB1 ALA A 66 8.994 11.585 -6.063 1.00 0.00 H new ATOM 0 HB2 ALA A 66 8.555 10.406 -7.321 1.00 0.00 H new ATOM 0 HB3 ALA A 66 7.828 12.031 -7.332 1.00 0.00 H new TER 1008 ALA A 66