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 Set 1.1: A 9 MET CE :methyl -104:sc= -0.0502 (180deg=0) USER MOD Set 1.2: A 11 CYS SG : rot 18:sc= 0.13 USER MOD Set 1.3: A 14 CYS SG : rot -130:sc= -0.597 USER MOD Set 1.4: A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 172:sc= 0 (180deg=-0.118) USER MOD Single : A 1 MET N :NH3+ -113:sc= 0.19 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 168:sc=-0.00735 (180deg=-0.159) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 75:sc= 0.257 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 173:sc= 1.22 (180deg=1.21) USER MOD Single : A 30 LYS NZ :NH3+ -177:sc= 0.679 (180deg=0.623) USER MOD Single : A 34 SER OG : rot -180:sc= 1.21 USER MOD Single : A 37 LYS NZ :NH3+ 165:sc= 0.737 (180deg=0.451) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0759 USER MOD Single : A 49 LYS NZ :NH3+ 167:sc=-0.00545 (180deg=-0.146) USER MOD Single : A 53 GLN : amide:sc= 1.15 K(o=1.2,f=-0.041) USER MOD Single : A 61 LYS NZ :NH3+ 143:sc= 0.507 (180deg=-0.836!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.191 7.604 2.156 1.00 0.00 N ATOM 2 CA MET A 1 9.760 7.300 2.301 1.00 0.00 C ATOM 3 C MET A 1 9.124 7.482 0.939 1.00 0.00 C ATOM 4 O MET A 1 9.677 8.188 0.095 1.00 0.00 O ATOM 5 CB MET A 1 9.068 8.189 3.344 1.00 0.00 C ATOM 6 CG MET A 1 9.342 7.739 4.779 1.00 0.00 C ATOM 7 SD MET A 1 9.185 9.034 6.038 1.00 0.00 S ATOM 8 CE MET A 1 7.549 9.709 5.639 1.00 0.00 C ATOM 0 H1 MET A 1 11.747 6.737 2.301 1.00 0.00 H new ATOM 0 H2 MET A 1 11.372 7.975 1.202 1.00 0.00 H new ATOM 0 H3 MET A 1 11.468 8.315 2.862 1.00 0.00 H new ATOM 0 HA MET A 1 9.644 6.278 2.661 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.406 9.218 3.220 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.993 8.183 3.165 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.655 6.929 5.026 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.350 7.328 4.828 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.249 10.417 6.412 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.590 10.218 4.676 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.823 8.898 5.589 1.00 0.00 H new ATOM 18 N LEU A 2 8.016 6.791 0.690 1.00 0.00 N ATOM 19 CA LEU A 2 7.276 6.848 -0.562 1.00 0.00 C ATOM 20 C LEU A 2 5.797 6.829 -0.220 1.00 0.00 C ATOM 21 O LEU A 2 5.412 6.421 0.878 1.00 0.00 O ATOM 22 CB LEU A 2 7.610 5.635 -1.451 1.00 0.00 C ATOM 23 CG LEU A 2 9.082 5.545 -1.874 1.00 0.00 C ATOM 24 CD1 LEU A 2 9.413 4.137 -2.357 1.00 0.00 C ATOM 25 CD2 LEU A 2 9.435 6.571 -2.948 1.00 0.00 C ATOM 0 H LEU A 2 7.598 6.159 1.373 1.00 0.00 H new ATOM 0 HA LEU A 2 7.544 7.752 -1.110 1.00 0.00 H new ATOM 0 HB2 LEU A 2 7.342 4.724 -0.917 1.00 0.00 H new ATOM 0 HB3 LEU A 2 6.989 5.674 -2.346 1.00 0.00 H new ATOM 0 HG LEU A 2 9.685 5.772 -0.995 1.00 0.00 H new ATOM 0 HD11 LEU A 2 10.461 4.091 -2.653 1.00 0.00 H new ATOM 0 HD12 LEU A 2 9.232 3.424 -1.552 1.00 0.00 H new ATOM 0 HD13 LEU A 2 8.783 3.888 -3.211 1.00 0.00 H new ATOM 0 HD21 LEU A 2 10.487 6.470 -3.216 1.00 0.00 H new ATOM 0 HD22 LEU A 2 8.818 6.401 -3.830 1.00 0.00 H new ATOM 0 HD23 LEU A 2 9.253 7.575 -2.566 1.00 0.00 H new ATOM 37 N LYS A 3 4.965 7.213 -1.182 1.00 0.00 N ATOM 38 CA LYS A 3 3.520 7.246 -1.026 1.00 0.00 C ATOM 39 C LYS A 3 2.897 6.607 -2.254 1.00 0.00 C ATOM 40 O LYS A 3 2.964 7.165 -3.351 1.00 0.00 O ATOM 41 CB LYS A 3 3.039 8.677 -0.730 1.00 0.00 C ATOM 42 CG LYS A 3 3.587 9.776 -1.659 1.00 0.00 C ATOM 43 CD LYS A 3 3.052 11.163 -1.281 1.00 0.00 C ATOM 44 CE LYS A 3 1.575 11.322 -1.663 1.00 0.00 C ATOM 45 NZ LYS A 3 0.977 12.543 -1.094 1.00 0.00 N ATOM 0 H LYS A 3 5.282 7.514 -2.104 1.00 0.00 H new ATOM 0 HA LYS A 3 3.197 6.665 -0.162 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.950 8.692 -0.784 1.00 0.00 H new ATOM 0 HB3 LYS A 3 3.311 8.926 0.296 1.00 0.00 H new ATOM 0 HG2 LYS A 3 4.676 9.782 -1.612 1.00 0.00 H new ATOM 0 HG3 LYS A 3 3.314 9.550 -2.690 1.00 0.00 H new ATOM 0 HD2 LYS A 3 3.170 11.319 -0.209 1.00 0.00 H new ATOM 0 HD3 LYS A 3 3.643 11.930 -1.782 1.00 0.00 H new ATOM 0 HE2 LYS A 3 1.484 11.348 -2.749 1.00 0.00 H new ATOM 0 HE3 LYS A 3 1.017 10.452 -1.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -0.021 12.606 -1.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 1.039 12.509 -0.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 1.491 13.377 -1.444 1.00 0.00 H new ATOM 59 N LEU A 4 2.397 5.385 -2.108 1.00 0.00 N ATOM 60 CA LEU A 4 1.750 4.651 -3.187 1.00 0.00 C ATOM 61 C LEU A 4 0.252 4.894 -3.036 1.00 0.00 C ATOM 62 O LEU A 4 -0.240 5.093 -1.918 1.00 0.00 O ATOM 63 CB LEU A 4 2.054 3.146 -3.102 1.00 0.00 C ATOM 64 CG LEU A 4 1.975 2.468 -4.485 1.00 0.00 C ATOM 65 CD1 LEU A 4 3.311 2.627 -5.214 1.00 0.00 C ATOM 66 CD2 LEU A 4 1.645 0.977 -4.381 1.00 0.00 C ATOM 0 H LEU A 4 2.430 4.871 -1.227 1.00 0.00 H new ATOM 0 HA LEU A 4 2.118 4.992 -4.155 1.00 0.00 H new ATOM 0 HB2 LEU A 4 3.049 2.999 -2.681 1.00 0.00 H new ATOM 0 HB3 LEU A 4 1.347 2.670 -2.423 1.00 0.00 H new ATOM 0 HG LEU A 4 1.172 2.956 -5.038 1.00 0.00 H new ATOM 0 HD11 LEU A 4 3.252 2.147 -6.191 1.00 0.00 H new ATOM 0 HD12 LEU A 4 3.531 3.687 -5.343 1.00 0.00 H new ATOM 0 HD13 LEU A 4 4.103 2.161 -4.628 1.00 0.00 H new ATOM 0 HD21 LEU A 4 1.600 0.544 -5.380 1.00 0.00 H new ATOM 0 HD22 LEU A 4 2.418 0.473 -3.801 1.00 0.00 H new ATOM 0 HD23 LEU A 4 0.681 0.851 -3.887 1.00 0.00 H new ATOM 78 N LYS A 5 -0.478 4.924 -4.147 1.00 0.00 N ATOM 79 CA LYS A 5 -1.918 5.131 -4.116 1.00 0.00 C ATOM 80 C LYS A 5 -2.558 3.843 -4.588 1.00 0.00 C ATOM 81 O LYS A 5 -2.182 3.333 -5.637 1.00 0.00 O ATOM 82 CB LYS A 5 -2.343 6.347 -4.951 1.00 0.00 C ATOM 83 CG LYS A 5 -2.062 7.680 -4.230 1.00 0.00 C ATOM 84 CD LYS A 5 -0.611 8.183 -4.325 1.00 0.00 C ATOM 85 CE LYS A 5 -0.202 8.523 -5.760 1.00 0.00 C ATOM 86 NZ LYS A 5 -1.003 9.642 -6.293 1.00 0.00 N ATOM 0 H LYS A 5 -0.091 4.807 -5.084 1.00 0.00 H new ATOM 0 HA LYS A 5 -2.252 5.363 -3.105 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -1.814 6.333 -5.904 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -3.407 6.276 -5.176 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -2.722 8.444 -4.642 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -2.322 7.567 -3.178 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -0.494 9.067 -3.698 1.00 0.00 H new ATOM 0 HD3 LYS A 5 0.061 7.421 -3.930 1.00 0.00 H new ATOM 0 HE2 LYS A 5 0.856 8.784 -5.787 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -0.330 7.646 -6.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -0.576 9.984 -7.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -1.973 9.317 -6.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -1.025 10.415 -5.598 1.00 0.00 H new ATOM 100 N VAL A 6 -3.422 3.269 -3.765 1.00 0.00 N ATOM 101 CA VAL A 6 -4.173 2.050 -4.018 1.00 0.00 C ATOM 102 C VAL A 6 -5.525 2.562 -4.513 1.00 0.00 C ATOM 103 O VAL A 6 -6.038 3.544 -3.965 1.00 0.00 O ATOM 104 CB VAL A 6 -4.278 1.252 -2.703 1.00 0.00 C ATOM 105 CG1 VAL A 6 -5.149 -0.001 -2.837 1.00 0.00 C ATOM 106 CG2 VAL A 6 -2.884 0.839 -2.205 1.00 0.00 C ATOM 0 H VAL A 6 -3.630 3.666 -2.848 1.00 0.00 H new ATOM 0 HA VAL A 6 -3.723 1.373 -4.744 1.00 0.00 H new ATOM 0 HB VAL A 6 -4.753 1.917 -1.982 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -5.186 -0.522 -1.880 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -6.158 0.287 -3.133 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -4.724 -0.661 -3.593 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -2.981 0.277 -1.276 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.399 0.216 -2.957 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -2.282 1.730 -2.029 1.00 0.00 H new ATOM 116 N GLU A 7 -6.135 1.931 -5.511 1.00 0.00 N ATOM 117 CA GLU A 7 -7.409 2.385 -6.045 1.00 0.00 C ATOM 118 C GLU A 7 -8.328 1.202 -6.342 1.00 0.00 C ATOM 119 O GLU A 7 -7.981 0.318 -7.129 1.00 0.00 O ATOM 120 CB GLU A 7 -7.131 3.218 -7.306 1.00 0.00 C ATOM 121 CG GLU A 7 -8.301 4.158 -7.599 1.00 0.00 C ATOM 122 CD GLU A 7 -8.436 4.429 -9.091 1.00 0.00 C ATOM 123 OE1 GLU A 7 -7.788 5.347 -9.640 1.00 0.00 O ATOM 124 OE2 GLU A 7 -9.267 3.747 -9.731 1.00 0.00 O ATOM 0 H GLU A 7 -5.762 1.098 -5.967 1.00 0.00 H new ATOM 0 HA GLU A 7 -7.925 3.003 -5.310 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -6.217 3.797 -7.172 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -6.967 2.556 -8.157 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -9.225 3.719 -7.222 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -8.155 5.099 -7.069 1.00 0.00 H new ATOM 131 N GLY A 8 -9.509 1.177 -5.726 1.00 0.00 N ATOM 132 CA GLY A 8 -10.473 0.113 -5.932 1.00 0.00 C ATOM 133 C GLY A 8 -11.529 0.141 -4.840 1.00 0.00 C ATOM 134 O GLY A 8 -12.313 1.087 -4.757 1.00 0.00 O ATOM 0 H GLY A 8 -9.818 1.896 -5.072 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -10.946 0.225 -6.908 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -9.966 -0.852 -5.932 1.00 0.00 H new ATOM 138 N MET A 9 -11.528 -0.886 -3.992 1.00 0.00 N ATOM 139 CA MET A 9 -12.461 -1.063 -2.889 1.00 0.00 C ATOM 140 C MET A 9 -12.445 0.086 -1.877 1.00 0.00 C ATOM 141 O MET A 9 -13.510 0.661 -1.642 1.00 0.00 O ATOM 142 CB MET A 9 -12.166 -2.408 -2.202 1.00 0.00 C ATOM 143 CG MET A 9 -12.769 -3.584 -2.979 1.00 0.00 C ATOM 144 SD MET A 9 -14.501 -3.959 -2.605 1.00 0.00 S ATOM 145 CE MET A 9 -14.207 -5.135 -1.254 1.00 0.00 C ATOM 0 H MET A 9 -10.850 -1.645 -4.060 1.00 0.00 H new ATOM 0 HA MET A 9 -13.468 -1.061 -3.306 1.00 0.00 H new ATOM 0 HB2 MET A 9 -11.088 -2.544 -2.115 1.00 0.00 H new ATOM 0 HB3 MET A 9 -12.569 -2.396 -1.189 1.00 0.00 H new ATOM 0 HG2 MET A 9 -12.683 -3.375 -4.045 1.00 0.00 H new ATOM 0 HG3 MET A 9 -12.171 -4.473 -2.779 1.00 0.00 H new ATOM 0 HE1 MET A 9 -14.373 -6.151 -1.613 1.00 0.00 H new ATOM 0 HE2 MET A 9 -13.179 -5.037 -0.904 1.00 0.00 H new ATOM 0 HE3 MET A 9 -14.892 -4.924 -0.433 1.00 0.00 H new ATOM 155 N THR A 10 -11.276 0.427 -1.314 1.00 0.00 N ATOM 156 CA THR A 10 -11.094 1.474 -0.294 1.00 0.00 C ATOM 157 C THR A 10 -12.190 1.331 0.780 1.00 0.00 C ATOM 158 O THR A 10 -12.930 2.266 1.089 1.00 0.00 O ATOM 159 CB THR A 10 -10.921 2.884 -0.905 1.00 0.00 C ATOM 160 OG1 THR A 10 -11.955 3.260 -1.795 1.00 0.00 O ATOM 161 CG2 THR A 10 -9.607 3.019 -1.680 1.00 0.00 C ATOM 0 H THR A 10 -10.401 -0.033 -1.564 1.00 0.00 H new ATOM 0 HA THR A 10 -10.143 1.332 0.220 1.00 0.00 H new ATOM 0 HB THR A 10 -10.939 3.540 -0.035 1.00 0.00 H new ATOM 0 HG1 THR A 10 -11.779 4.161 -2.139 1.00 0.00 H new ATOM 0 HG21 THR A 10 -9.529 4.025 -2.091 1.00 0.00 H new ATOM 0 HG22 THR A 10 -8.768 2.835 -1.009 1.00 0.00 H new ATOM 0 HG23 THR A 10 -9.588 2.293 -2.493 1.00 0.00 H new ATOM 169 N CYS A 11 -12.348 0.104 1.293 1.00 0.00 N ATOM 170 CA CYS A 11 -13.350 -0.226 2.294 1.00 0.00 C ATOM 171 C CYS A 11 -12.814 -0.117 3.719 1.00 0.00 C ATOM 172 O CYS A 11 -11.606 -0.062 3.960 1.00 0.00 O ATOM 173 CB CYS A 11 -13.906 -1.631 2.027 1.00 0.00 C ATOM 174 SG CYS A 11 -14.770 -1.657 0.434 1.00 0.00 S ATOM 0 H CYS A 11 -11.773 -0.691 1.016 1.00 0.00 H new ATOM 0 HA CYS A 11 -14.153 0.506 2.210 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -13.094 -2.358 2.023 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -14.589 -1.920 2.826 1.00 0.00 H new ATOM 0 HG CYS A 11 -14.400 -0.634 -0.277 1.00 0.00 H new ATOM 180 N ASN A 12 -13.740 -0.169 4.678 1.00 0.00 N ATOM 181 CA ASN A 12 -13.448 -0.076 6.105 1.00 0.00 C ATOM 182 C ASN A 12 -12.558 -1.217 6.610 1.00 0.00 C ATOM 183 O ASN A 12 -11.638 -0.962 7.385 1.00 0.00 O ATOM 184 CB ASN A 12 -14.764 -0.043 6.891 1.00 0.00 C ATOM 185 CG ASN A 12 -14.525 0.101 8.388 1.00 0.00 C ATOM 186 OD1 ASN A 12 -14.229 1.185 8.880 1.00 0.00 O ATOM 187 ND2 ASN A 12 -14.712 -0.947 9.162 1.00 0.00 N ATOM 0 H ASN A 12 -14.734 -0.279 4.478 1.00 0.00 H new ATOM 0 HA ASN A 12 -12.888 0.846 6.264 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -15.377 0.787 6.539 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -15.325 -0.957 6.699 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -14.611 -0.859 10.173 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -14.958 -1.847 8.751 1.00 0.00 H new ATOM 194 N HIS A 13 -12.809 -2.468 6.195 1.00 0.00 N ATOM 195 CA HIS A 13 -12.006 -3.611 6.641 1.00 0.00 C ATOM 196 C HIS A 13 -10.797 -3.886 5.746 1.00 0.00 C ATOM 197 O HIS A 13 -9.714 -4.156 6.267 1.00 0.00 O ATOM 198 CB HIS A 13 -12.853 -4.893 6.716 1.00 0.00 C ATOM 199 CG HIS A 13 -12.133 -6.075 7.329 1.00 0.00 C ATOM 200 ND1 HIS A 13 -11.035 -6.022 8.163 1.00 0.00 N ATOM 201 CD2 HIS A 13 -12.465 -7.394 7.167 1.00 0.00 C ATOM 202 CE1 HIS A 13 -10.714 -7.282 8.498 1.00 0.00 C ATOM 203 NE2 HIS A 13 -11.577 -8.148 7.944 1.00 0.00 N ATOM 0 H HIS A 13 -13.562 -2.711 5.551 1.00 0.00 H new ATOM 0 HA HIS A 13 -11.644 -3.336 7.631 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -13.752 -4.688 7.297 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -13.177 -5.161 5.710 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -13.265 -7.781 6.553 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -9.879 -7.559 9.125 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -11.585 -9.161 8.066 1.00 0.00 H new ATOM 211 N CYS A 14 -10.950 -3.742 4.427 1.00 0.00 N ATOM 212 CA CYS A 14 -9.909 -4.015 3.439 1.00 0.00 C ATOM 213 C CYS A 14 -8.576 -3.316 3.712 1.00 0.00 C ATOM 214 O CYS A 14 -7.537 -3.866 3.349 1.00 0.00 O ATOM 215 CB CYS A 14 -10.446 -3.756 2.031 1.00 0.00 C ATOM 216 SG CYS A 14 -11.907 -4.798 1.749 1.00 0.00 S ATOM 0 H CYS A 14 -11.824 -3.424 4.009 1.00 0.00 H new ATOM 0 HA CYS A 14 -9.659 -5.072 3.525 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -10.707 -2.704 1.916 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -9.678 -3.977 1.290 1.00 0.00 H new ATOM 0 HG CYS A 14 -11.779 -5.429 0.620 1.00 0.00 H new ATOM 222 N VAL A 15 -8.562 -2.159 4.381 1.00 0.00 N ATOM 223 CA VAL A 15 -7.320 -1.462 4.704 1.00 0.00 C ATOM 224 C VAL A 15 -6.370 -2.401 5.472 1.00 0.00 C ATOM 225 O VAL A 15 -5.169 -2.392 5.217 1.00 0.00 O ATOM 226 CB VAL A 15 -7.638 -0.154 5.456 1.00 0.00 C ATOM 227 CG1 VAL A 15 -8.248 -0.388 6.840 1.00 0.00 C ATOM 228 CG2 VAL A 15 -6.405 0.743 5.590 1.00 0.00 C ATOM 0 H VAL A 15 -9.404 -1.686 4.710 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.795 -1.178 3.792 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.384 0.351 4.843 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -8.448 0.572 7.316 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -9.180 -0.944 6.738 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.551 -0.959 7.453 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -6.674 1.653 6.126 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.628 0.213 6.141 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.034 1.002 4.598 1.00 0.00 H new ATOM 238 N MET A 16 -6.888 -3.256 6.369 1.00 0.00 N ATOM 239 CA MET A 16 -6.076 -4.193 7.141 1.00 0.00 C ATOM 240 C MET A 16 -5.310 -5.124 6.208 1.00 0.00 C ATOM 241 O MET A 16 -4.137 -5.415 6.459 1.00 0.00 O ATOM 242 CB MET A 16 -6.952 -5.040 8.081 1.00 0.00 C ATOM 243 CG MET A 16 -7.305 -4.309 9.373 1.00 0.00 C ATOM 244 SD MET A 16 -5.905 -4.176 10.516 1.00 0.00 S ATOM 245 CE MET A 16 -6.776 -3.429 11.917 1.00 0.00 C ATOM 0 H MET A 16 -7.885 -3.312 6.575 1.00 0.00 H new ATOM 0 HA MET A 16 -5.375 -3.608 7.737 1.00 0.00 H new ATOM 0 HB2 MET A 16 -7.870 -5.318 7.563 1.00 0.00 H new ATOM 0 HB3 MET A 16 -6.429 -5.965 8.323 1.00 0.00 H new ATOM 0 HG2 MET A 16 -7.666 -3.309 9.131 1.00 0.00 H new ATOM 0 HG3 MET A 16 -8.123 -4.832 9.868 1.00 0.00 H new ATOM 0 HE1 MET A 16 -6.075 -3.266 12.736 1.00 0.00 H new ATOM 0 HE2 MET A 16 -7.206 -2.475 11.611 1.00 0.00 H new ATOM 0 HE3 MET A 16 -7.572 -4.096 12.248 1.00 0.00 H new ATOM 255 N ALA A 17 -5.990 -5.640 5.184 1.00 0.00 N ATOM 256 CA ALA A 17 -5.413 -6.535 4.201 1.00 0.00 C ATOM 257 C ALA A 17 -4.326 -5.786 3.427 1.00 0.00 C ATOM 258 O ALA A 17 -3.192 -6.253 3.399 1.00 0.00 O ATOM 259 CB ALA A 17 -6.528 -7.083 3.313 1.00 0.00 C ATOM 0 H ALA A 17 -6.976 -5.439 5.018 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.933 -7.394 4.670 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.103 -7.758 2.570 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -7.248 -7.625 3.926 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -7.030 -6.258 2.808 1.00 0.00 H new ATOM 265 N VAL A 18 -4.626 -4.589 2.908 1.00 0.00 N ATOM 266 CA VAL A 18 -3.679 -3.761 2.159 1.00 0.00 C ATOM 267 C VAL A 18 -2.420 -3.520 3.009 1.00 0.00 C ATOM 268 O VAL A 18 -1.305 -3.740 2.529 1.00 0.00 O ATOM 269 CB VAL A 18 -4.374 -2.462 1.694 1.00 0.00 C ATOM 270 CG1 VAL A 18 -3.407 -1.484 1.008 1.00 0.00 C ATOM 271 CG2 VAL A 18 -5.506 -2.772 0.699 1.00 0.00 C ATOM 0 H VAL A 18 -5.549 -4.164 2.999 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.349 -4.273 1.255 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.766 -1.998 2.599 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.950 -0.590 0.702 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.615 -1.207 1.704 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.969 -1.960 0.131 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -5.980 -1.842 0.386 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.095 -3.281 -0.173 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -6.246 -3.413 1.178 1.00 0.00 H new ATOM 281 N THR A 19 -2.567 -3.118 4.276 1.00 0.00 N ATOM 282 CA THR A 19 -1.436 -2.888 5.165 1.00 0.00 C ATOM 283 C THR A 19 -0.625 -4.179 5.290 1.00 0.00 C ATOM 284 O THR A 19 0.591 -4.148 5.114 1.00 0.00 O ATOM 285 CB THR A 19 -1.925 -2.399 6.541 1.00 0.00 C ATOM 286 OG1 THR A 19 -2.613 -1.179 6.400 1.00 0.00 O ATOM 287 CG2 THR A 19 -0.781 -2.217 7.545 1.00 0.00 C ATOM 0 H THR A 19 -3.474 -2.945 4.708 1.00 0.00 H new ATOM 0 HA THR A 19 -0.795 -2.110 4.750 1.00 0.00 H new ATOM 0 HB THR A 19 -2.589 -3.170 6.932 1.00 0.00 H new ATOM 0 HG1 THR A 19 -3.499 -1.346 6.017 1.00 0.00 H new ATOM 0 HG21 THR A 19 -1.184 -1.871 8.497 1.00 0.00 H new ATOM 0 HG22 THR A 19 -0.270 -3.169 7.691 1.00 0.00 H new ATOM 0 HG23 THR A 19 -0.074 -1.481 7.162 1.00 0.00 H new ATOM 295 N LYS A 20 -1.256 -5.324 5.582 1.00 0.00 N ATOM 296 CA LYS A 20 -0.528 -6.584 5.726 1.00 0.00 C ATOM 297 C LYS A 20 0.151 -6.993 4.415 1.00 0.00 C ATOM 298 O LYS A 20 1.248 -7.551 4.465 1.00 0.00 O ATOM 299 CB LYS A 20 -1.467 -7.672 6.272 1.00 0.00 C ATOM 300 CG LYS A 20 -0.719 -8.883 6.860 1.00 0.00 C ATOM 301 CD LYS A 20 -0.049 -8.575 8.206 1.00 0.00 C ATOM 302 CE LYS A 20 0.632 -9.831 8.759 1.00 0.00 C ATOM 303 NZ LYS A 20 1.155 -9.605 10.118 1.00 0.00 N ATOM 0 H LYS A 20 -2.263 -5.400 5.722 1.00 0.00 H new ATOM 0 HA LYS A 20 0.276 -6.448 6.450 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.105 -7.239 7.042 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.122 -8.013 5.470 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.419 -9.709 6.989 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.039 -9.215 6.150 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.686 -7.780 8.081 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.793 -8.213 8.916 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.080 -10.656 8.774 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.447 -10.126 8.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.610 -10.474 10.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.852 -8.834 10.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.372 -9.348 10.753 1.00 0.00 H new ATOM 317 N ALA A 21 -0.451 -6.714 3.256 1.00 0.00 N ATOM 318 CA ALA A 21 0.113 -7.036 1.951 1.00 0.00 C ATOM 319 C ALA A 21 1.411 -6.253 1.778 1.00 0.00 C ATOM 320 O ALA A 21 2.446 -6.810 1.428 1.00 0.00 O ATOM 321 CB ALA A 21 -0.890 -6.725 0.832 1.00 0.00 C ATOM 0 H ALA A 21 -1.358 -6.251 3.202 1.00 0.00 H new ATOM 0 HA ALA A 21 0.329 -8.103 1.891 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.447 -6.973 -0.133 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.794 -7.316 0.979 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.142 -5.665 0.854 1.00 0.00 H new ATOM 327 N LEU A 22 1.384 -4.952 2.064 1.00 0.00 N ATOM 328 CA LEU A 22 2.560 -4.095 1.957 1.00 0.00 C ATOM 329 C LEU A 22 3.615 -4.529 2.965 1.00 0.00 C ATOM 330 O LEU A 22 4.784 -4.714 2.615 1.00 0.00 O ATOM 331 CB LEU A 22 2.161 -2.643 2.229 1.00 0.00 C ATOM 332 CG LEU A 22 1.359 -2.033 1.073 1.00 0.00 C ATOM 333 CD1 LEU A 22 0.615 -0.796 1.569 1.00 0.00 C ATOM 334 CD2 LEU A 22 2.303 -1.675 -0.081 1.00 0.00 C ATOM 0 H LEU A 22 0.545 -4.464 2.376 1.00 0.00 H new ATOM 0 HA LEU A 22 2.972 -4.179 0.951 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.569 -2.596 3.143 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.058 -2.048 2.400 1.00 0.00 H new ATOM 0 HG LEU A 22 0.630 -2.756 0.708 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.044 -0.361 0.748 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.064 -1.078 2.374 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.333 -0.064 1.940 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.729 -1.242 -0.900 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.043 -0.953 0.265 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.810 -2.575 -0.429 1.00 0.00 H new ATOM 346 N LYS A 23 3.196 -4.728 4.216 1.00 0.00 N ATOM 347 CA LYS A 23 4.046 -5.135 5.326 1.00 0.00 C ATOM 348 C LYS A 23 4.657 -6.519 5.118 1.00 0.00 C ATOM 349 O LYS A 23 5.511 -6.913 5.915 1.00 0.00 O ATOM 350 CB LYS A 23 3.260 -4.992 6.643 1.00 0.00 C ATOM 351 CG LYS A 23 4.167 -4.809 7.871 1.00 0.00 C ATOM 352 CD LYS A 23 3.489 -4.021 9.002 1.00 0.00 C ATOM 353 CE LYS A 23 2.205 -4.682 9.510 1.00 0.00 C ATOM 354 NZ LYS A 23 1.789 -4.149 10.824 1.00 0.00 N ATOM 0 H LYS A 23 2.221 -4.605 4.489 1.00 0.00 H new ATOM 0 HA LYS A 23 4.909 -4.471 5.380 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.586 -4.138 6.566 1.00 0.00 H new ATOM 0 HB3 LYS A 23 2.639 -5.876 6.786 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.465 -5.788 8.245 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.078 -4.292 7.570 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.188 -3.914 9.832 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.258 -3.016 8.648 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.406 -4.525 8.786 1.00 0.00 H new ATOM 0 HE3 LYS A 23 2.358 -5.758 9.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.916 -4.624 11.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 2.540 -4.321 11.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 1.618 -3.126 10.745 1.00 0.00 H new ATOM 368 N LYS A 24 4.284 -7.272 4.074 1.00 0.00 N ATOM 369 CA LYS A 24 4.856 -8.590 3.816 1.00 0.00 C ATOM 370 C LYS A 24 6.351 -8.480 3.475 1.00 0.00 C ATOM 371 O LYS A 24 7.053 -9.490 3.532 1.00 0.00 O ATOM 372 CB LYS A 24 4.033 -9.331 2.747 1.00 0.00 C ATOM 373 CG LYS A 24 4.528 -9.102 1.313 1.00 0.00 C ATOM 374 CD LYS A 24 3.615 -9.772 0.286 1.00 0.00 C ATOM 375 CE LYS A 24 4.366 -9.791 -1.042 1.00 0.00 C ATOM 376 NZ LYS A 24 3.786 -10.728 -2.017 1.00 0.00 N ATOM 0 H LYS A 24 3.582 -6.983 3.392 1.00 0.00 H new ATOM 0 HA LYS A 24 4.800 -9.194 4.722 1.00 0.00 H new ATOM 0 HB2 LYS A 24 4.054 -10.399 2.962 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.993 -9.012 2.817 1.00 0.00 H new ATOM 0 HG2 LYS A 24 4.578 -8.032 1.112 1.00 0.00 H new ATOM 0 HG3 LYS A 24 5.540 -9.494 1.210 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.362 -10.785 0.599 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.677 -9.225 0.190 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.367 -8.787 -1.467 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.406 -10.061 -0.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.261 -10.612 -2.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.915 -11.703 -1.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 2.771 -10.531 -2.126 1.00 0.00 H new ATOM 390 N VAL A 25 6.845 -7.306 3.056 1.00 0.00 N ATOM 391 CA VAL A 25 8.264 -7.113 2.755 1.00 0.00 C ATOM 392 C VAL A 25 8.914 -7.144 4.149 1.00 0.00 C ATOM 393 O VAL A 25 8.599 -6.267 4.953 1.00 0.00 O ATOM 394 CB VAL A 25 8.510 -5.796 1.995 1.00 0.00 C ATOM 395 CG1 VAL A 25 9.983 -5.710 1.569 1.00 0.00 C ATOM 396 CG2 VAL A 25 7.632 -5.696 0.738 1.00 0.00 C ATOM 0 H VAL A 25 6.274 -6.472 2.918 1.00 0.00 H new ATOM 0 HA VAL A 25 8.681 -7.869 2.090 1.00 0.00 H new ATOM 0 HB VAL A 25 8.255 -4.977 2.667 1.00 0.00 H new ATOM 0 HG11 VAL A 25 10.152 -4.777 1.032 1.00 0.00 H new ATOM 0 HG12 VAL A 25 10.620 -5.741 2.453 1.00 0.00 H new ATOM 0 HG13 VAL A 25 10.224 -6.552 0.919 1.00 0.00 H new ATOM 0 HG21 VAL A 25 7.833 -4.754 0.228 1.00 0.00 H new ATOM 0 HG22 VAL A 25 7.858 -6.526 0.069 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.581 -5.737 1.024 1.00 0.00 H new ATOM 406 N PRO A 26 9.798 -8.100 4.475 1.00 0.00 N ATOM 407 CA PRO A 26 10.386 -8.220 5.806 1.00 0.00 C ATOM 408 C PRO A 26 11.082 -6.995 6.408 1.00 0.00 C ATOM 409 O PRO A 26 10.581 -6.441 7.386 1.00 0.00 O ATOM 410 CB PRO A 26 11.274 -9.465 5.761 1.00 0.00 C ATOM 411 CG PRO A 26 11.540 -9.697 4.277 1.00 0.00 C ATOM 412 CD PRO A 26 10.269 -9.180 3.617 1.00 0.00 C ATOM 0 HA PRO A 26 9.565 -8.308 6.518 1.00 0.00 H new ATOM 0 HB2 PRO A 26 12.203 -9.309 6.310 1.00 0.00 H new ATOM 0 HB3 PRO A 26 10.776 -10.323 6.213 1.00 0.00 H new ATOM 0 HG2 PRO A 26 12.422 -9.155 3.935 1.00 0.00 H new ATOM 0 HG3 PRO A 26 11.709 -10.751 4.057 1.00 0.00 H new ATOM 0 HD2 PRO A 26 10.469 -8.821 2.607 1.00 0.00 H new ATOM 0 HD3 PRO A 26 9.522 -9.969 3.532 1.00 0.00 H new ATOM 420 N GLY A 27 12.198 -6.543 5.834 1.00 0.00 N ATOM 421 CA GLY A 27 12.960 -5.417 6.368 1.00 0.00 C ATOM 422 C GLY A 27 12.305 -4.036 6.386 1.00 0.00 C ATOM 423 O GLY A 27 12.883 -3.139 6.996 1.00 0.00 O ATOM 0 H GLY A 27 12.597 -6.948 4.987 1.00 0.00 H new ATOM 0 HA2 GLY A 27 13.242 -5.663 7.392 1.00 0.00 H new ATOM 0 HA3 GLY A 27 13.883 -5.339 5.793 1.00 0.00 H new ATOM 427 N VAL A 28 11.155 -3.814 5.742 1.00 0.00 N ATOM 428 CA VAL A 28 10.538 -2.485 5.742 1.00 0.00 C ATOM 429 C VAL A 28 9.959 -2.185 7.129 1.00 0.00 C ATOM 430 O VAL A 28 10.370 -1.216 7.766 1.00 0.00 O ATOM 431 CB VAL A 28 9.502 -2.385 4.605 1.00 0.00 C ATOM 432 CG1 VAL A 28 8.815 -1.017 4.563 1.00 0.00 C ATOM 433 CG2 VAL A 28 10.172 -2.590 3.237 1.00 0.00 C ATOM 0 H VAL A 28 10.640 -4.525 5.222 1.00 0.00 H new ATOM 0 HA VAL A 28 11.285 -1.717 5.543 1.00 0.00 H new ATOM 0 HB VAL A 28 8.765 -3.162 4.806 1.00 0.00 H new ATOM 0 HG11 VAL A 28 8.095 -0.997 3.745 1.00 0.00 H new ATOM 0 HG12 VAL A 28 8.298 -0.840 5.506 1.00 0.00 H new ATOM 0 HG13 VAL A 28 9.562 -0.239 4.407 1.00 0.00 H new ATOM 0 HG21 VAL A 28 9.422 -2.515 2.450 1.00 0.00 H new ATOM 0 HG22 VAL A 28 10.934 -1.825 3.087 1.00 0.00 H new ATOM 0 HG23 VAL A 28 10.636 -3.576 3.203 1.00 0.00 H new ATOM 443 N GLU A 29 9.055 -3.031 7.629 1.00 0.00 N ATOM 444 CA GLU A 29 8.382 -2.953 8.927 1.00 0.00 C ATOM 445 C GLU A 29 7.648 -1.629 9.247 1.00 0.00 C ATOM 446 O GLU A 29 7.001 -1.540 10.294 1.00 0.00 O ATOM 447 CB GLU A 29 9.379 -3.384 10.025 1.00 0.00 C ATOM 448 CG GLU A 29 8.713 -4.241 11.110 1.00 0.00 C ATOM 449 CD GLU A 29 9.698 -4.631 12.214 1.00 0.00 C ATOM 450 OE1 GLU A 29 10.486 -5.594 12.056 1.00 0.00 O ATOM 451 OE2 GLU A 29 9.680 -3.959 13.270 1.00 0.00 O ATOM 0 H GLU A 29 8.753 -3.848 7.098 1.00 0.00 H new ATOM 0 HA GLU A 29 7.544 -3.648 8.885 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.196 -3.946 9.571 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.818 -2.498 10.483 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.879 -3.691 11.546 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.299 -5.142 10.658 1.00 0.00 H new ATOM 458 N LYS A 30 7.639 -0.627 8.360 1.00 0.00 N ATOM 459 CA LYS A 30 6.997 0.674 8.554 1.00 0.00 C ATOM 460 C LYS A 30 6.133 1.049 7.348 1.00 0.00 C ATOM 461 O LYS A 30 6.655 1.382 6.280 1.00 0.00 O ATOM 462 CB LYS A 30 8.079 1.739 8.762 1.00 0.00 C ATOM 463 CG LYS A 30 8.791 1.743 10.123 1.00 0.00 C ATOM 464 CD LYS A 30 8.064 2.616 11.165 1.00 0.00 C ATOM 465 CE LYS A 30 9.000 3.137 12.266 1.00 0.00 C ATOM 466 NZ LYS A 30 10.022 4.079 11.761 1.00 0.00 N ATOM 0 H LYS A 30 8.098 -0.706 7.452 1.00 0.00 H new ATOM 0 HA LYS A 30 6.350 0.617 9.429 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.833 1.615 7.984 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.625 2.719 8.613 1.00 0.00 H new ATOM 0 HG2 LYS A 30 8.862 0.721 10.496 1.00 0.00 H new ATOM 0 HG3 LYS A 30 9.810 2.108 9.995 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.598 3.463 10.661 1.00 0.00 H new ATOM 0 HD3 LYS A 30 7.262 2.036 11.621 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.407 3.632 13.035 1.00 0.00 H new ATOM 0 HE3 LYS A 30 9.497 2.292 12.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 10.654 4.356 12.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.577 3.620 11.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.555 4.925 11.377 1.00 0.00 H new ATOM 480 N VAL A 31 4.815 0.982 7.506 1.00 0.00 N ATOM 481 CA VAL A 31 3.822 1.315 6.495 1.00 0.00 C ATOM 482 C VAL A 31 2.610 1.898 7.225 1.00 0.00 C ATOM 483 O VAL A 31 2.289 1.466 8.336 1.00 0.00 O ATOM 484 CB VAL A 31 3.503 0.091 5.608 1.00 0.00 C ATOM 485 CG1 VAL A 31 3.181 -1.188 6.394 1.00 0.00 C ATOM 486 CG2 VAL A 31 2.362 0.355 4.617 1.00 0.00 C ATOM 0 H VAL A 31 4.392 0.680 8.384 1.00 0.00 H new ATOM 0 HA VAL A 31 4.192 2.064 5.796 1.00 0.00 H new ATOM 0 HB VAL A 31 4.432 -0.072 5.061 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.969 -1.999 5.698 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.035 -1.458 7.016 1.00 0.00 H new ATOM 0 HG13 VAL A 31 2.311 -1.016 7.027 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.183 -0.540 4.021 1.00 0.00 H new ATOM 0 HG22 VAL A 31 1.456 0.613 5.166 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.635 1.180 3.959 1.00 0.00 H new ATOM 496 N GLU A 32 1.945 2.880 6.619 1.00 0.00 N ATOM 497 CA GLU A 32 0.780 3.541 7.177 1.00 0.00 C ATOM 498 C GLU A 32 -0.244 3.714 6.057 1.00 0.00 C ATOM 499 O GLU A 32 -0.006 4.460 5.105 1.00 0.00 O ATOM 500 CB GLU A 32 1.261 4.883 7.749 1.00 0.00 C ATOM 501 CG GLU A 32 0.163 5.705 8.428 1.00 0.00 C ATOM 502 CD GLU A 32 -0.545 4.944 9.542 1.00 0.00 C ATOM 503 OE1 GLU A 32 0.118 4.206 10.307 1.00 0.00 O ATOM 504 OE2 GLU A 32 -1.786 5.086 9.631 1.00 0.00 O ATOM 0 H GLU A 32 2.213 3.243 5.704 1.00 0.00 H new ATOM 0 HA GLU A 32 0.303 2.972 7.975 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.056 4.694 8.470 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.696 5.474 6.943 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.599 6.616 8.838 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.570 6.010 7.681 1.00 0.00 H new ATOM 511 N VAL A 33 -1.414 3.091 6.187 1.00 0.00 N ATOM 512 CA VAL A 33 -2.476 3.156 5.192 1.00 0.00 C ATOM 513 C VAL A 33 -3.649 3.882 5.832 1.00 0.00 C ATOM 514 O VAL A 33 -4.073 3.525 6.934 1.00 0.00 O ATOM 515 CB VAL A 33 -2.832 1.748 4.677 1.00 0.00 C ATOM 516 CG1 VAL A 33 -3.708 1.855 3.423 1.00 0.00 C ATOM 517 CG2 VAL A 33 -1.584 0.925 4.310 1.00 0.00 C ATOM 0 H VAL A 33 -1.651 2.520 6.998 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.162 3.709 4.307 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.360 1.244 5.487 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.955 0.855 3.065 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.626 2.391 3.665 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.167 2.395 2.646 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.889 -0.059 3.953 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.027 1.439 3.527 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.951 0.811 5.190 1.00 0.00 H new ATOM 527 N SER A 34 -4.131 4.943 5.186 1.00 0.00 N ATOM 528 CA SER A 34 -5.243 5.706 5.735 1.00 0.00 C ATOM 529 C SER A 34 -6.561 4.955 5.548 1.00 0.00 C ATOM 530 O SER A 34 -6.898 4.562 4.438 1.00 0.00 O ATOM 531 CB SER A 34 -5.312 7.070 5.056 1.00 0.00 C ATOM 532 OG SER A 34 -4.088 7.758 5.240 1.00 0.00 O ATOM 0 H SER A 34 -3.773 5.287 4.295 1.00 0.00 H new ATOM 0 HA SER A 34 -5.080 5.843 6.804 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.515 6.947 3.992 1.00 0.00 H new ATOM 0 HB3 SER A 34 -6.134 7.653 5.472 1.00 0.00 H new ATOM 0 HG SER A 34 -4.136 8.633 4.802 1.00 0.00 H new ATOM 538 N LEU A 35 -7.346 4.812 6.616 1.00 0.00 N ATOM 539 CA LEU A 35 -8.648 4.141 6.587 1.00 0.00 C ATOM 540 C LEU A 35 -9.573 4.832 5.567 1.00 0.00 C ATOM 541 O LEU A 35 -10.249 4.186 4.760 1.00 0.00 O ATOM 542 CB LEU A 35 -9.193 4.192 8.034 1.00 0.00 C ATOM 543 CG LEU A 35 -10.589 3.612 8.348 1.00 0.00 C ATOM 544 CD1 LEU A 35 -11.750 4.427 7.776 1.00 0.00 C ATOM 545 CD2 LEU A 35 -10.737 2.144 7.954 1.00 0.00 C ATOM 0 H LEU A 35 -7.093 5.164 7.539 1.00 0.00 H new ATOM 0 HA LEU A 35 -8.577 3.103 6.263 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -8.475 3.675 8.670 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -9.198 5.237 8.343 1.00 0.00 H new ATOM 0 HG LEU A 35 -10.652 3.681 9.434 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -12.694 3.951 8.042 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -11.724 5.436 8.187 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -11.661 4.475 6.691 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -11.741 1.800 8.202 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -10.571 2.036 6.882 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -10.004 1.546 8.496 1.00 0.00 H new ATOM 557 N GLU A 36 -9.565 6.163 5.578 1.00 0.00 N ATOM 558 CA GLU A 36 -10.365 7.054 4.744 1.00 0.00 C ATOM 559 C GLU A 36 -9.866 7.323 3.311 1.00 0.00 C ATOM 560 O GLU A 36 -10.570 7.999 2.554 1.00 0.00 O ATOM 561 CB GLU A 36 -10.570 8.359 5.529 1.00 0.00 C ATOM 562 CG GLU A 36 -9.277 9.169 5.715 1.00 0.00 C ATOM 563 CD GLU A 36 -9.462 10.223 6.802 1.00 0.00 C ATOM 564 OE1 GLU A 36 -9.243 9.900 7.987 1.00 0.00 O ATOM 565 OE2 GLU A 36 -9.874 11.361 6.485 1.00 0.00 O ATOM 0 H GLU A 36 -8.958 6.682 6.213 1.00 0.00 H new ATOM 0 HA GLU A 36 -11.301 6.530 4.551 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -11.304 8.975 5.010 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -10.987 8.124 6.508 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -8.458 8.502 5.982 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -9.003 9.650 4.776 1.00 0.00 H new ATOM 572 N LYS A 37 -8.663 6.901 2.907 1.00 0.00 N ATOM 573 CA LYS A 37 -8.156 7.167 1.551 1.00 0.00 C ATOM 574 C LYS A 37 -7.402 5.967 1.010 1.00 0.00 C ATOM 575 O LYS A 37 -6.926 5.131 1.767 1.00 0.00 O ATOM 576 CB LYS A 37 -7.165 8.352 1.597 1.00 0.00 C ATOM 577 CG LYS A 37 -7.750 9.757 1.807 1.00 0.00 C ATOM 578 CD LYS A 37 -8.033 10.515 0.499 1.00 0.00 C ATOM 579 CE LYS A 37 -9.235 9.993 -0.298 1.00 0.00 C ATOM 580 NZ LYS A 37 -10.492 10.097 0.465 1.00 0.00 N ATOM 0 H LYS A 37 -8.020 6.374 3.498 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.010 7.388 0.911 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.450 8.162 2.398 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -6.603 8.357 0.663 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.677 9.673 2.375 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -7.057 10.342 2.412 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.199 11.567 0.733 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -7.146 10.465 -0.133 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.327 10.557 -1.226 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.063 8.952 -0.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -11.300 9.979 -0.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.519 9.355 1.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -10.546 11.031 0.920 1.00 0.00 H new ATOM 594 N GLY A 38 -7.221 5.901 -0.304 1.00 0.00 N ATOM 595 CA GLY A 38 -6.474 4.824 -0.925 1.00 0.00 C ATOM 596 C GLY A 38 -5.003 5.234 -0.922 1.00 0.00 C ATOM 597 O GLY A 38 -4.370 5.225 -1.974 1.00 0.00 O ATOM 0 H GLY A 38 -7.587 6.590 -0.961 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -6.615 3.892 -0.377 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -6.823 4.651 -1.943 1.00 0.00 H new ATOM 601 N GLU A 39 -4.473 5.742 0.192 1.00 0.00 N ATOM 602 CA GLU A 39 -3.088 6.175 0.302 1.00 0.00 C ATOM 603 C GLU A 39 -2.396 5.267 1.305 1.00 0.00 C ATOM 604 O GLU A 39 -2.938 4.976 2.381 1.00 0.00 O ATOM 605 CB GLU A 39 -2.981 7.675 0.655 1.00 0.00 C ATOM 606 CG GLU A 39 -3.237 7.964 2.142 1.00 0.00 C ATOM 607 CD GLU A 39 -3.318 9.442 2.523 1.00 0.00 C ATOM 608 OE1 GLU A 39 -2.780 10.310 1.798 1.00 0.00 O ATOM 609 OE2 GLU A 39 -3.954 9.721 3.569 1.00 0.00 O ATOM 0 H GLU A 39 -5.006 5.864 1.053 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.583 6.085 -0.660 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -1.988 8.035 0.387 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.697 8.236 0.054 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.170 7.481 2.432 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -2.442 7.500 2.726 1.00 0.00 H new ATOM 616 N ALA A 40 -1.201 4.826 0.923 1.00 0.00 N ATOM 617 CA ALA A 40 -0.360 3.965 1.713 1.00 0.00 C ATOM 618 C ALA A 40 1.043 4.552 1.654 1.00 0.00 C ATOM 619 O ALA A 40 1.671 4.602 0.591 1.00 0.00 O ATOM 620 CB ALA A 40 -0.415 2.564 1.117 1.00 0.00 C ATOM 0 H ALA A 40 -0.788 5.073 0.024 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.680 3.897 2.753 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.216 1.895 1.702 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.443 2.201 1.135 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.058 2.592 0.087 1.00 0.00 H new ATOM 626 N LEU A 41 1.516 5.019 2.800 1.00 0.00 N ATOM 627 CA LEU A 41 2.823 5.618 2.993 1.00 0.00 C ATOM 628 C LEU A 41 3.742 4.501 3.455 1.00 0.00 C ATOM 629 O LEU A 41 3.302 3.624 4.202 1.00 0.00 O ATOM 630 CB LEU A 41 2.757 6.715 4.068 1.00 0.00 C ATOM 631 CG LEU A 41 1.630 7.748 3.887 1.00 0.00 C ATOM 632 CD1 LEU A 41 1.639 8.719 5.065 1.00 0.00 C ATOM 633 CD2 LEU A 41 1.737 8.530 2.575 1.00 0.00 C ATOM 0 H LEU A 41 0.970 4.988 3.661 1.00 0.00 H new ATOM 0 HA LEU A 41 3.181 6.078 2.072 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.638 6.240 5.042 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.711 7.242 4.085 1.00 0.00 H new ATOM 0 HG LEU A 41 0.691 7.195 3.849 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.842 9.451 4.939 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.482 8.168 5.992 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.600 9.232 5.106 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.914 9.242 2.507 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.685 9.068 2.548 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.688 7.838 1.734 1.00 0.00 H new ATOM 645 N VAL A 42 4.998 4.513 3.028 1.00 0.00 N ATOM 646 CA VAL A 42 5.962 3.499 3.407 1.00 0.00 C ATOM 647 C VAL A 42 7.299 4.163 3.715 1.00 0.00 C ATOM 648 O VAL A 42 7.729 5.097 3.027 1.00 0.00 O ATOM 649 CB VAL A 42 6.007 2.415 2.308 1.00 0.00 C ATOM 650 CG1 VAL A 42 6.501 2.950 0.957 1.00 0.00 C ATOM 651 CG2 VAL A 42 6.856 1.215 2.734 1.00 0.00 C ATOM 0 H VAL A 42 5.374 5.230 2.407 1.00 0.00 H new ATOM 0 HA VAL A 42 5.675 2.984 4.324 1.00 0.00 H new ATOM 0 HB VAL A 42 4.975 2.091 2.174 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.510 2.141 0.227 1.00 0.00 H new ATOM 0 HG12 VAL A 42 5.835 3.741 0.614 1.00 0.00 H new ATOM 0 HG13 VAL A 42 7.509 3.348 1.070 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.864 0.473 1.935 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.876 1.544 2.934 1.00 0.00 H new ATOM 0 HG23 VAL A 42 6.434 0.772 3.636 1.00 0.00 H new ATOM 661 N GLU A 43 7.978 3.663 4.742 1.00 0.00 N ATOM 662 CA GLU A 43 9.272 4.151 5.172 1.00 0.00 C ATOM 663 C GLU A 43 10.218 2.986 4.914 1.00 0.00 C ATOM 664 O GLU A 43 10.210 1.989 5.639 1.00 0.00 O ATOM 665 CB GLU A 43 9.156 4.581 6.638 1.00 0.00 C ATOM 666 CG GLU A 43 10.436 5.135 7.265 1.00 0.00 C ATOM 667 CD GLU A 43 10.363 5.008 8.788 1.00 0.00 C ATOM 668 OE1 GLU A 43 9.463 5.606 9.432 1.00 0.00 O ATOM 669 OE2 GLU A 43 11.178 4.260 9.370 1.00 0.00 O ATOM 0 H GLU A 43 7.631 2.889 5.308 1.00 0.00 H new ATOM 0 HA GLU A 43 9.645 5.030 4.647 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.377 5.339 6.715 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.826 3.724 7.225 1.00 0.00 H new ATOM 0 HG2 GLU A 43 11.302 4.592 6.887 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.567 6.180 6.984 1.00 0.00 H new ATOM 676 N GLY A 44 11.011 3.103 3.852 1.00 0.00 N ATOM 677 CA GLY A 44 11.959 2.091 3.446 1.00 0.00 C ATOM 678 C GLY A 44 12.376 2.281 2.003 1.00 0.00 C ATOM 679 O GLY A 44 11.771 3.045 1.246 1.00 0.00 O ATOM 0 H GLY A 44 11.006 3.922 3.244 1.00 0.00 H new ATOM 0 HA2 GLY A 44 12.838 2.132 4.090 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.517 1.103 3.573 1.00 0.00 H new ATOM 683 N THR A 45 13.408 1.546 1.615 1.00 0.00 N ATOM 684 CA THR A 45 14.013 1.553 0.293 1.00 0.00 C ATOM 685 C THR A 45 13.373 0.545 -0.674 1.00 0.00 C ATOM 686 O THR A 45 13.947 0.280 -1.729 1.00 0.00 O ATOM 687 CB THR A 45 15.528 1.349 0.482 1.00 0.00 C ATOM 688 OG1 THR A 45 15.785 0.289 1.393 1.00 0.00 O ATOM 689 CG2 THR A 45 16.156 2.626 1.055 1.00 0.00 C ATOM 0 H THR A 45 13.870 0.894 2.249 1.00 0.00 H new ATOM 0 HA THR A 45 13.831 2.511 -0.193 1.00 0.00 H new ATOM 0 HB THR A 45 15.957 1.110 -0.491 1.00 0.00 H new ATOM 0 HG1 THR A 45 16.753 0.175 1.498 1.00 0.00 H new ATOM 0 HG21 THR A 45 17.228 2.477 1.187 1.00 0.00 H new ATOM 0 HG22 THR A 45 15.987 3.455 0.367 1.00 0.00 H new ATOM 0 HG23 THR A 45 15.700 2.855 2.018 1.00 0.00 H new ATOM 697 N ALA A 46 12.211 -0.029 -0.333 1.00 0.00 N ATOM 698 CA ALA A 46 11.519 -0.990 -1.184 1.00 0.00 C ATOM 699 C ALA A 46 11.206 -0.348 -2.540 1.00 0.00 C ATOM 700 O ALA A 46 10.738 0.795 -2.608 1.00 0.00 O ATOM 701 CB ALA A 46 10.260 -1.499 -0.487 1.00 0.00 C ATOM 0 H ALA A 46 11.728 0.165 0.544 1.00 0.00 H new ATOM 0 HA ALA A 46 12.161 -1.852 -1.364 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.752 -2.216 -1.132 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.534 -1.984 0.450 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.594 -0.661 -0.281 1.00 0.00 H new ATOM 707 N ASP A 47 11.457 -1.092 -3.613 1.00 0.00 N ATOM 708 CA ASP A 47 11.260 -0.664 -4.998 1.00 0.00 C ATOM 709 C ASP A 47 9.792 -0.380 -5.351 1.00 0.00 C ATOM 710 O ASP A 47 8.888 -0.962 -4.743 1.00 0.00 O ATOM 711 CB ASP A 47 11.857 -1.715 -5.948 1.00 0.00 C ATOM 712 CG ASP A 47 13.381 -1.679 -5.929 1.00 0.00 C ATOM 713 OD1 ASP A 47 13.953 -0.606 -6.222 1.00 0.00 O ATOM 714 OD2 ASP A 47 13.993 -2.706 -5.549 1.00 0.00 O ATOM 0 H ASP A 47 11.816 -2.044 -3.542 1.00 0.00 H new ATOM 0 HA ASP A 47 11.780 0.287 -5.117 1.00 0.00 H new ATOM 0 HB2 ASP A 47 11.511 -2.707 -5.659 1.00 0.00 H new ATOM 0 HB3 ASP A 47 11.500 -1.536 -6.962 1.00 0.00 H new ATOM 719 N PRO A 48 9.526 0.461 -6.370 1.00 0.00 N ATOM 720 CA PRO A 48 8.176 0.821 -6.800 1.00 0.00 C ATOM 721 C PRO A 48 7.362 -0.388 -7.263 1.00 0.00 C ATOM 722 O PRO A 48 6.390 -0.755 -6.598 1.00 0.00 O ATOM 723 CB PRO A 48 8.333 1.880 -7.898 1.00 0.00 C ATOM 724 CG PRO A 48 9.770 1.710 -8.382 1.00 0.00 C ATOM 725 CD PRO A 48 10.508 1.205 -7.150 1.00 0.00 C ATOM 0 HA PRO A 48 7.605 1.221 -5.962 1.00 0.00 H new ATOM 0 HB2 PRO A 48 7.619 1.723 -8.707 1.00 0.00 H new ATOM 0 HB3 PRO A 48 8.160 2.884 -7.510 1.00 0.00 H new ATOM 0 HG2 PRO A 48 9.834 1.000 -9.206 1.00 0.00 H new ATOM 0 HG3 PRO A 48 10.186 2.652 -8.740 1.00 0.00 H new ATOM 0 HD2 PRO A 48 11.347 0.568 -7.431 1.00 0.00 H new ATOM 0 HD3 PRO A 48 10.917 2.034 -6.573 1.00 0.00 H new ATOM 733 N LYS A 49 7.755 -1.036 -8.371 1.00 0.00 N ATOM 734 CA LYS A 49 7.010 -2.188 -8.880 1.00 0.00 C ATOM 735 C LYS A 49 6.882 -3.314 -7.859 1.00 0.00 C ATOM 736 O LYS A 49 5.900 -4.046 -7.925 1.00 0.00 O ATOM 737 CB LYS A 49 7.525 -2.708 -10.232 1.00 0.00 C ATOM 738 CG LYS A 49 6.979 -1.898 -11.424 1.00 0.00 C ATOM 739 CD LYS A 49 7.964 -0.858 -11.973 1.00 0.00 C ATOM 740 CE LYS A 49 9.055 -1.486 -12.849 1.00 0.00 C ATOM 741 NZ LYS A 49 8.512 -1.981 -14.131 1.00 0.00 N ATOM 0 H LYS A 49 8.575 -0.783 -8.923 1.00 0.00 H new ATOM 0 HA LYS A 49 6.006 -1.806 -9.062 1.00 0.00 H new ATOM 0 HB2 LYS A 49 8.614 -2.671 -10.241 1.00 0.00 H new ATOM 0 HB3 LYS A 49 7.241 -3.754 -10.347 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.709 -2.586 -12.225 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.064 -1.391 -11.117 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.417 -0.117 -12.556 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.430 -0.329 -11.141 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.833 -0.749 -13.045 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.524 -2.310 -12.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.296 -2.194 -14.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.957 -2.844 -13.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.901 -1.253 -14.553 1.00 0.00 H new ATOM 755 N ALA A 50 7.817 -3.453 -6.913 1.00 0.00 N ATOM 756 CA ALA A 50 7.731 -4.494 -5.897 1.00 0.00 C ATOM 757 C ALA A 50 6.434 -4.291 -5.108 1.00 0.00 C ATOM 758 O ALA A 50 5.637 -5.224 -4.951 1.00 0.00 O ATOM 759 CB ALA A 50 8.951 -4.455 -4.966 1.00 0.00 C ATOM 0 H ALA A 50 8.640 -2.855 -6.834 1.00 0.00 H new ATOM 0 HA ALA A 50 7.723 -5.474 -6.374 1.00 0.00 H new ATOM 0 HB1 ALA A 50 8.862 -5.242 -4.217 1.00 0.00 H new ATOM 0 HB2 ALA A 50 9.859 -4.610 -5.549 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.999 -3.486 -4.470 1.00 0.00 H new ATOM 765 N LEU A 51 6.236 -3.073 -4.591 1.00 0.00 N ATOM 766 CA LEU A 51 5.052 -2.720 -3.820 1.00 0.00 C ATOM 767 C LEU A 51 3.807 -2.810 -4.687 1.00 0.00 C ATOM 768 O LEU A 51 2.838 -3.404 -4.232 1.00 0.00 O ATOM 769 CB LEU A 51 5.171 -1.318 -3.203 1.00 0.00 C ATOM 770 CG LEU A 51 5.611 -1.381 -1.734 1.00 0.00 C ATOM 771 CD1 LEU A 51 7.046 -1.890 -1.574 1.00 0.00 C ATOM 772 CD2 LEU A 51 5.484 0.002 -1.101 1.00 0.00 C ATOM 0 H LEU A 51 6.899 -2.305 -4.700 1.00 0.00 H new ATOM 0 HA LEU A 51 4.969 -3.436 -3.002 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.889 -0.729 -3.773 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.211 -0.806 -3.274 1.00 0.00 H new ATOM 0 HG LEU A 51 4.956 -2.091 -1.228 1.00 0.00 H new ATOM 0 HD11 LEU A 51 7.307 -1.915 -0.516 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.125 -2.894 -1.991 1.00 0.00 H new ATOM 0 HD13 LEU A 51 7.729 -1.224 -2.101 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.797 -0.045 -0.058 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.118 0.708 -1.638 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.447 0.333 -1.154 1.00 0.00 H new ATOM 784 N VAL A 52 3.840 -2.234 -5.894 1.00 0.00 N ATOM 785 CA VAL A 52 2.724 -2.247 -6.837 1.00 0.00 C ATOM 786 C VAL A 52 2.254 -3.687 -7.032 1.00 0.00 C ATOM 787 O VAL A 52 1.113 -3.983 -6.691 1.00 0.00 O ATOM 788 CB VAL A 52 3.133 -1.564 -8.157 1.00 0.00 C ATOM 789 CG1 VAL A 52 2.114 -1.695 -9.291 1.00 0.00 C ATOM 790 CG2 VAL A 52 3.393 -0.064 -7.959 1.00 0.00 C ATOM 0 H VAL A 52 4.659 -1.738 -6.246 1.00 0.00 H new ATOM 0 HA VAL A 52 1.884 -1.675 -6.443 1.00 0.00 H new ATOM 0 HB VAL A 52 4.038 -2.097 -8.447 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.489 -1.184 -10.178 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.957 -2.749 -9.519 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.169 -1.245 -8.985 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.679 0.384 -8.910 1.00 0.00 H new ATOM 0 HG22 VAL A 52 2.487 0.417 -7.589 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.198 0.074 -7.237 1.00 0.00 H new ATOM 800 N GLN A 53 3.118 -4.584 -7.521 1.00 0.00 N ATOM 801 CA GLN A 53 2.727 -5.968 -7.736 1.00 0.00 C ATOM 802 C GLN A 53 2.215 -6.598 -6.441 1.00 0.00 C ATOM 803 O GLN A 53 1.221 -7.313 -6.519 1.00 0.00 O ATOM 804 CB GLN A 53 3.851 -6.798 -8.387 1.00 0.00 C ATOM 805 CG GLN A 53 3.665 -6.966 -9.907 1.00 0.00 C ATOM 806 CD GLN A 53 4.061 -5.754 -10.746 1.00 0.00 C ATOM 807 OE1 GLN A 53 5.142 -5.723 -11.337 1.00 0.00 O ATOM 808 NE2 GLN A 53 3.181 -4.787 -10.891 1.00 0.00 N ATOM 0 H GLN A 53 4.084 -4.372 -7.771 1.00 0.00 H new ATOM 0 HA GLN A 53 1.902 -5.969 -8.449 1.00 0.00 H new ATOM 0 HB2 GLN A 53 4.810 -6.317 -8.194 1.00 0.00 H new ATOM 0 HB3 GLN A 53 3.888 -7.782 -7.919 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.251 -7.824 -10.236 1.00 0.00 H new ATOM 0 HG3 GLN A 53 2.619 -7.200 -10.106 1.00 0.00 H new ATOM 0 HE21 GLN A 53 2.291 -4.829 -10.394 1.00 0.00 H new ATOM 0 HE22 GLN A 53 3.389 -3.996 -11.500 1.00 0.00 H new ATOM 817 N ALA A 54 2.831 -6.333 -5.275 1.00 0.00 N ATOM 818 CA ALA A 54 2.361 -6.916 -4.017 1.00 0.00 C ATOM 819 C ALA A 54 0.930 -6.495 -3.653 1.00 0.00 C ATOM 820 O ALA A 54 0.201 -7.316 -3.097 1.00 0.00 O ATOM 821 CB ALA A 54 3.328 -6.601 -2.875 1.00 0.00 C ATOM 0 H ALA A 54 3.645 -5.726 -5.183 1.00 0.00 H new ATOM 0 HA ALA A 54 2.335 -7.995 -4.170 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.957 -7.045 -1.951 1.00 0.00 H new ATOM 0 HB2 ALA A 54 4.310 -7.013 -3.106 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.407 -5.521 -2.752 1.00 0.00 H new ATOM 827 N VAL A 55 0.529 -5.239 -3.891 1.00 0.00 N ATOM 828 CA VAL A 55 -0.842 -4.816 -3.580 1.00 0.00 C ATOM 829 C VAL A 55 -1.788 -5.309 -4.675 1.00 0.00 C ATOM 830 O VAL A 55 -2.931 -5.650 -4.378 1.00 0.00 O ATOM 831 CB VAL A 55 -0.983 -3.313 -3.275 1.00 0.00 C ATOM 832 CG1 VAL A 55 -0.314 -3.011 -1.929 1.00 0.00 C ATOM 833 CG2 VAL A 55 -0.421 -2.361 -4.339 1.00 0.00 C ATOM 0 H VAL A 55 1.122 -4.511 -4.290 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.130 -5.286 -2.640 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.056 -3.123 -3.259 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.409 -1.948 -1.706 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.798 -3.592 -1.144 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.742 -3.278 -1.979 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.574 -1.330 -4.022 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.645 -2.547 -4.467 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.935 -2.529 -5.286 1.00 0.00 H new ATOM 843 N GLU A 56 -1.327 -5.389 -5.928 1.00 0.00 N ATOM 844 CA GLU A 56 -2.132 -5.874 -7.043 1.00 0.00 C ATOM 845 C GLU A 56 -2.553 -7.326 -6.794 1.00 0.00 C ATOM 846 O GLU A 56 -3.522 -7.781 -7.400 1.00 0.00 O ATOM 847 CB GLU A 56 -1.360 -5.753 -8.359 1.00 0.00 C ATOM 848 CG GLU A 56 -1.293 -4.302 -8.858 1.00 0.00 C ATOM 849 CD GLU A 56 -0.378 -4.151 -10.074 1.00 0.00 C ATOM 850 OE1 GLU A 56 0.514 -4.997 -10.309 1.00 0.00 O ATOM 851 OE2 GLU A 56 -0.561 -3.190 -10.855 1.00 0.00 O ATOM 0 H GLU A 56 -0.380 -5.117 -6.193 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.029 -5.259 -7.120 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.349 -6.136 -8.222 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.836 -6.375 -9.117 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.296 -3.962 -9.116 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.935 -3.659 -8.054 1.00 0.00 H new ATOM 858 N GLU A 57 -1.862 -8.066 -5.916 1.00 0.00 N ATOM 859 CA GLU A 57 -2.206 -9.447 -5.587 1.00 0.00 C ATOM 860 C GLU A 57 -3.608 -9.501 -4.968 1.00 0.00 C ATOM 861 O GLU A 57 -4.265 -10.540 -5.041 1.00 0.00 O ATOM 862 CB GLU A 57 -1.195 -10.059 -4.606 1.00 0.00 C ATOM 863 CG GLU A 57 0.228 -10.102 -5.158 1.00 0.00 C ATOM 864 CD GLU A 57 1.181 -10.944 -4.319 1.00 0.00 C ATOM 865 OE1 GLU A 57 1.346 -10.675 -3.108 1.00 0.00 O ATOM 866 OE2 GLU A 57 1.834 -11.855 -4.886 1.00 0.00 O ATOM 0 H GLU A 57 -1.045 -7.717 -5.414 1.00 0.00 H new ATOM 0 HA GLU A 57 -2.183 -10.025 -6.511 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.202 -9.483 -3.681 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -1.511 -11.071 -4.353 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.203 -10.498 -6.173 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.615 -9.085 -5.222 1.00 0.00 H new ATOM 873 N GLU A 58 -4.078 -8.395 -4.382 1.00 0.00 N ATOM 874 CA GLU A 58 -5.387 -8.252 -3.759 1.00 0.00 C ATOM 875 C GLU A 58 -6.456 -7.900 -4.811 1.00 0.00 C ATOM 876 O GLU A 58 -7.648 -7.970 -4.515 1.00 0.00 O ATOM 877 CB GLU A 58 -5.335 -7.132 -2.706 1.00 0.00 C ATOM 878 CG GLU A 58 -4.275 -7.303 -1.598 1.00 0.00 C ATOM 879 CD GLU A 58 -4.916 -7.703 -0.271 1.00 0.00 C ATOM 880 OE1 GLU A 58 -5.499 -6.822 0.397 1.00 0.00 O ATOM 881 OE2 GLU A 58 -4.917 -8.911 0.081 1.00 0.00 O ATOM 0 H GLU A 58 -3.526 -7.539 -4.330 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.650 -9.200 -3.289 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.151 -6.187 -3.217 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.316 -7.055 -2.236 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.552 -8.062 -1.898 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.725 -6.371 -1.472 1.00 0.00 H new ATOM 888 N GLY A 59 -6.048 -7.521 -6.028 1.00 0.00 N ATOM 889 CA GLY A 59 -6.903 -7.152 -7.153 1.00 0.00 C ATOM 890 C GLY A 59 -7.107 -5.644 -7.304 1.00 0.00 C ATOM 891 O GLY A 59 -7.623 -5.195 -8.332 1.00 0.00 O ATOM 0 H GLY A 59 -5.057 -7.462 -6.263 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.468 -7.544 -8.072 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.875 -7.630 -7.031 1.00 0.00 H new ATOM 895 N TYR A 60 -6.715 -4.849 -6.308 1.00 0.00 N ATOM 896 CA TYR A 60 -6.858 -3.398 -6.348 1.00 0.00 C ATOM 897 C TYR A 60 -5.777 -2.810 -7.259 1.00 0.00 C ATOM 898 O TYR A 60 -4.659 -3.325 -7.312 1.00 0.00 O ATOM 899 CB TYR A 60 -6.767 -2.825 -4.922 1.00 0.00 C ATOM 900 CG TYR A 60 -7.559 -3.587 -3.869 1.00 0.00 C ATOM 901 CD1 TYR A 60 -8.860 -4.046 -4.150 1.00 0.00 C ATOM 902 CD2 TYR A 60 -6.953 -3.929 -2.643 1.00 0.00 C ATOM 903 CE1 TYR A 60 -9.528 -4.880 -3.239 1.00 0.00 C ATOM 904 CE2 TYR A 60 -7.633 -4.736 -1.712 1.00 0.00 C ATOM 905 CZ TYR A 60 -8.924 -5.229 -2.014 1.00 0.00 C ATOM 906 OH TYR A 60 -9.590 -6.024 -1.136 1.00 0.00 O ATOM 0 H TYR A 60 -6.288 -5.197 -5.449 1.00 0.00 H new ATOM 0 HA TYR A 60 -7.833 -3.128 -6.753 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -5.719 -2.804 -4.622 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -7.115 -1.792 -4.939 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -9.346 -3.756 -5.070 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -5.960 -3.569 -2.417 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -10.511 -5.257 -3.478 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -7.169 -4.979 -0.767 1.00 0.00 H new ATOM 0 HH TYR A 60 -9.035 -6.171 -0.342 1.00 0.00 H new ATOM 916 N LYS A 61 -6.099 -1.738 -7.985 1.00 0.00 N ATOM 917 CA LYS A 61 -5.160 -1.068 -8.888 1.00 0.00 C ATOM 918 C LYS A 61 -4.191 -0.245 -8.027 1.00 0.00 C ATOM 919 O LYS A 61 -4.498 0.013 -6.856 1.00 0.00 O ATOM 920 CB LYS A 61 -6.001 -0.205 -9.841 1.00 0.00 C ATOM 921 CG LYS A 61 -5.243 0.430 -11.018 1.00 0.00 C ATOM 922 CD LYS A 61 -6.173 1.244 -11.938 1.00 0.00 C ATOM 923 CE LYS A 61 -6.924 2.305 -11.124 1.00 0.00 C ATOM 924 NZ LYS A 61 -7.544 3.375 -11.926 1.00 0.00 N ATOM 0 H LYS A 61 -7.023 -1.307 -7.963 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.562 -1.756 -9.486 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.806 -0.820 -10.242 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.467 0.592 -9.262 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -4.456 1.079 -10.633 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.755 -0.353 -11.598 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -5.590 1.723 -12.725 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.885 0.580 -12.428 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.701 1.812 -10.540 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -6.230 2.757 -10.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.455 3.643 -11.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -6.915 4.203 -11.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.700 3.035 -12.897 1.00 0.00 H new ATOM 938 N ALA A 62 -3.034 0.169 -8.550 1.00 0.00 N ATOM 939 CA ALA A 62 -2.068 0.961 -7.796 1.00 0.00 C ATOM 940 C ALA A 62 -1.397 2.003 -8.688 1.00 0.00 C ATOM 941 O ALA A 62 -1.347 1.847 -9.907 1.00 0.00 O ATOM 942 CB ALA A 62 -1.023 0.044 -7.155 1.00 0.00 C ATOM 0 H ALA A 62 -2.744 -0.037 -9.506 1.00 0.00 H new ATOM 0 HA ALA A 62 -2.600 1.492 -7.007 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.307 0.645 -6.595 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -1.517 -0.655 -6.480 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -0.500 -0.512 -7.933 1.00 0.00 H new ATOM 948 N GLU A 63 -0.796 3.025 -8.070 1.00 0.00 N ATOM 949 CA GLU A 63 -0.125 4.111 -8.763 1.00 0.00 C ATOM 950 C GLU A 63 1.069 4.660 -7.968 1.00 0.00 C ATOM 951 O GLU A 63 0.919 5.078 -6.813 1.00 0.00 O ATOM 952 CB GLU A 63 -1.153 5.238 -9.005 1.00 0.00 C ATOM 953 CG GLU A 63 -0.982 5.884 -10.380 1.00 0.00 C ATOM 954 CD GLU A 63 -1.397 4.945 -11.512 1.00 0.00 C ATOM 955 OE1 GLU A 63 -2.615 4.704 -11.671 1.00 0.00 O ATOM 956 OE2 GLU A 63 -0.508 4.498 -12.267 1.00 0.00 O ATOM 0 H GLU A 63 -0.766 3.115 -7.054 1.00 0.00 H new ATOM 0 HA GLU A 63 0.269 3.729 -9.705 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.161 4.834 -8.917 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.046 5.998 -8.231 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.578 6.795 -10.429 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.059 6.177 -10.516 1.00 0.00 H new ATOM 963 N VAL A 64 2.256 4.659 -8.582 1.00 0.00 N ATOM 964 CA VAL A 64 3.500 5.173 -8.007 1.00 0.00 C ATOM 965 C VAL A 64 3.434 6.703 -8.096 1.00 0.00 C ATOM 966 O VAL A 64 2.837 7.242 -9.036 1.00 0.00 O ATOM 967 CB VAL A 64 4.700 4.599 -8.799 1.00 0.00 C ATOM 968 CG1 VAL A 64 6.059 5.148 -8.350 1.00 0.00 C ATOM 969 CG2 VAL A 64 4.766 3.072 -8.669 1.00 0.00 C ATOM 0 H VAL A 64 2.380 4.288 -9.524 1.00 0.00 H new ATOM 0 HA VAL A 64 3.627 4.875 -6.966 1.00 0.00 H new ATOM 0 HB VAL A 64 4.521 4.908 -9.829 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.849 4.699 -8.951 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.075 6.230 -8.479 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.220 4.906 -7.300 1.00 0.00 H new ATOM 0 HG21 VAL A 64 5.618 2.695 -9.235 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.879 2.801 -7.619 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.848 2.634 -9.060 1.00 0.00 H new ATOM 979 N LEU A 65 4.004 7.434 -7.135 1.00 0.00 N ATOM 980 CA LEU A 65 3.991 8.902 -7.162 1.00 0.00 C ATOM 981 C LEU A 65 4.879 9.388 -8.317 1.00 0.00 C ATOM 982 O LEU A 65 5.777 8.665 -8.761 1.00 0.00 O ATOM 983 CB LEU A 65 4.476 9.449 -5.802 1.00 0.00 C ATOM 984 CG LEU A 65 3.873 10.777 -5.301 1.00 0.00 C ATOM 985 CD1 LEU A 65 4.168 11.996 -6.164 1.00 0.00 C ATOM 986 CD2 LEU A 65 2.354 10.704 -5.133 1.00 0.00 C ATOM 0 H LEU A 65 4.481 7.034 -6.327 1.00 0.00 H new ATOM 0 HA LEU A 65 2.979 9.272 -7.327 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.281 8.688 -5.047 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.557 9.573 -5.858 1.00 0.00 H new ATOM 0 HG LEU A 65 4.374 10.910 -4.342 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.699 12.876 -5.724 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.246 12.149 -6.221 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.771 11.837 -7.167 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.981 11.665 -4.778 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.893 10.467 -6.092 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.105 9.928 -4.409 1.00 0.00 H new ATOM 998 N ALA A 66 4.603 10.570 -8.864 1.00 0.00 N ATOM 999 CA ALA A 66 5.380 11.148 -9.948 1.00 0.00 C ATOM 1000 C ALA A 66 6.785 11.488 -9.472 1.00 0.00 C ATOM 1001 O ALA A 66 7.672 11.550 -10.342 1.00 0.00 O ATOM 1002 CB ALA A 66 4.681 12.396 -10.480 1.00 0.00 C ATOM 0 H ALA A 66 3.825 11.156 -8.561 1.00 0.00 H new ATOM 0 HA ALA A 66 5.459 10.418 -10.753 1.00 0.00 H new ATOM 0 HB1 ALA A 66 5.269 12.824 -11.292 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.691 12.129 -10.850 1.00 0.00 H new ATOM 0 HB3 ALA A 66 4.583 13.128 -9.678 1.00 0.00 H new TER 1008 ALA A 66