USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 629 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 3 GLN : amide:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= -0.0641 USER MOD Single : A 15 HIS : no HD1:sc= -2.46 K(o=-2.5,f=-1.8) USER MOD Single : A 20 THR OG1 : rot 78:sc= 1.21 USER MOD Single : A 24 GLN : amide:sc= -0.705 X(o=-0.7,f=-0.63) USER MOD Single : A 25 THR OG1 : rot 85:sc= 0.557 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= -1.69 USER MOD Single : A 34 ASN : amide:sc= -0.0807 X(o=-0.081,f=-0.051) USER MOD Single : A 37 TYR OH : rot 180:sc= -2.56! USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -1.12 K(o=-1.1,f=-0.0012) USER MOD Single : A 45 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000985) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot -75:sc= 0.782 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 31:sc= 0.157 USER MOD Single : A 66 SER OG : rot 14:sc= 0.324 USER MOD Single : A 71 ASN : amide:sc= -0.166 X(o=-0.17,f=-0.0018) USER MOD Single : A 75 ASN : amide:sc= -6.18 K(o=-6.2,f=-21!) USER MOD Single : A 80 THR OG1 : rot 89:sc= 1.2 USER MOD Single : A 81 MET CE :methyl 179:sc= -0.376 (180deg=-0.38) USER MOD Single : A 82 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.306) USER MOD Single : A 83 SER OG : rot -40:sc= 0.353 USER MOD ----------------------------------------------------------------- ATOM 11 N GLN A 3 8.666 0.166 8.607 1.00 0.00 N ATOM 12 CA GLN A 3 7.214 0.392 8.338 1.00 0.00 C ATOM 13 C GLN A 3 6.894 1.879 8.502 1.00 0.00 C ATOM 14 O GLN A 3 7.731 2.660 8.916 1.00 0.00 O ATOM 15 CB GLN A 3 6.378 -0.420 9.329 1.00 0.00 C ATOM 16 CG GLN A 3 6.833 -0.113 10.759 1.00 0.00 C ATOM 17 CD GLN A 3 5.810 -0.666 11.752 1.00 0.00 C ATOM 18 OE1 GLN A 3 5.380 -1.796 11.633 1.00 0.00 O ATOM 19 NE2 GLN A 3 5.399 0.089 12.735 1.00 0.00 N ATOM 0 HA GLN A 3 6.979 0.077 7.321 1.00 0.00 H new ATOM 0 HB2 GLN A 3 5.322 -0.178 9.213 1.00 0.00 H new ATOM 0 HB3 GLN A 3 6.485 -1.485 9.123 1.00 0.00 H new ATOM 0 HG2 GLN A 3 7.811 -0.557 10.944 1.00 0.00 H new ATOM 0 HG3 GLN A 3 6.941 0.963 10.894 1.00 0.00 H new ATOM 0 HE21 GLN A 3 5.760 1.038 12.835 1.00 0.00 H new ATOM 0 HE22 GLN A 3 4.717 -0.270 13.403 1.00 0.00 H new ATOM 28 N LYS A 4 5.688 2.272 8.184 1.00 0.00 N ATOM 29 CA LYS A 4 5.301 3.707 8.321 1.00 0.00 C ATOM 30 C LYS A 4 3.779 3.833 8.235 1.00 0.00 C ATOM 31 O LYS A 4 3.082 2.870 7.972 1.00 0.00 O ATOM 32 CB LYS A 4 5.951 4.523 7.198 1.00 0.00 C ATOM 33 CG LYS A 4 6.446 5.864 7.753 1.00 0.00 C ATOM 34 CD LYS A 4 6.436 6.927 6.642 1.00 0.00 C ATOM 35 CE LYS A 4 7.861 7.429 6.380 1.00 0.00 C ATOM 36 NZ LYS A 4 8.032 8.777 6.991 1.00 0.00 N ATOM 0 H LYS A 4 4.952 1.658 7.834 1.00 0.00 H new ATOM 0 HA LYS A 4 5.642 4.086 9.284 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.784 3.967 6.767 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.232 4.693 6.396 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.810 6.183 8.579 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.454 5.752 8.152 1.00 0.00 H new ATOM 0 HD2 LYS A 4 6.017 6.505 5.728 1.00 0.00 H new ATOM 0 HD3 LYS A 4 5.796 7.761 6.931 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.587 6.733 6.800 1.00 0.00 H new ATOM 0 HE3 LYS A 4 8.050 7.477 5.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 8.998 9.118 6.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 7.349 9.438 6.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 7.869 8.717 8.016 1.00 0.00 H new ATOM 50 N THR A 5 3.261 5.014 8.452 1.00 0.00 N ATOM 51 CA THR A 5 1.784 5.217 8.385 1.00 0.00 C ATOM 52 C THR A 5 1.456 6.163 7.227 1.00 0.00 C ATOM 53 O THR A 5 2.103 7.175 7.041 1.00 0.00 O ATOM 54 CB THR A 5 1.292 5.828 9.700 1.00 0.00 C ATOM 55 OG1 THR A 5 1.847 5.106 10.791 1.00 0.00 O ATOM 56 CG2 THR A 5 -0.234 5.757 9.761 1.00 0.00 C ATOM 0 H THR A 5 3.801 5.851 8.674 1.00 0.00 H new ATOM 0 HA THR A 5 1.290 4.259 8.225 1.00 0.00 H new ATOM 0 HB THR A 5 1.605 6.871 9.756 1.00 0.00 H new ATOM 0 HG1 THR A 5 1.535 5.496 11.634 1.00 0.00 H new ATOM 0 HG21 THR A 5 -0.581 6.193 10.698 1.00 0.00 H new ATOM 0 HG22 THR A 5 -0.658 6.312 8.924 1.00 0.00 H new ATOM 0 HG23 THR A 5 -0.552 4.716 9.705 1.00 0.00 H new ATOM 64 N PHE A 6 0.457 5.834 6.446 1.00 0.00 N ATOM 65 CA PHE A 6 0.084 6.706 5.294 1.00 0.00 C ATOM 66 C PHE A 6 -1.355 7.198 5.462 1.00 0.00 C ATOM 67 O PHE A 6 -2.074 6.754 6.337 1.00 0.00 O ATOM 68 CB PHE A 6 0.196 5.908 3.995 1.00 0.00 C ATOM 69 CG PHE A 6 1.650 5.629 3.702 1.00 0.00 C ATOM 70 CD1 PHE A 6 2.367 4.733 4.504 1.00 0.00 C ATOM 71 CD2 PHE A 6 2.280 6.264 2.627 1.00 0.00 C ATOM 72 CE1 PHE A 6 3.715 4.474 4.230 1.00 0.00 C ATOM 73 CE2 PHE A 6 3.627 6.007 2.353 1.00 0.00 C ATOM 74 CZ PHE A 6 4.345 5.111 3.155 1.00 0.00 C ATOM 0 H PHE A 6 -0.116 4.998 6.558 1.00 0.00 H new ATOM 0 HA PHE A 6 0.757 7.562 5.259 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -0.355 4.972 4.082 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -0.252 6.466 3.173 1.00 0.00 H new ATOM 0 HD1 PHE A 6 1.880 4.242 5.334 1.00 0.00 H new ATOM 0 HD2 PHE A 6 1.726 6.954 2.008 1.00 0.00 H new ATOM 0 HE1 PHE A 6 4.269 3.783 4.848 1.00 0.00 H new ATOM 0 HE2 PHE A 6 4.113 6.499 1.524 1.00 0.00 H new ATOM 0 HZ PHE A 6 5.385 4.912 2.944 1.00 0.00 H new ATOM 84 N LYS A 7 -1.775 8.110 4.624 1.00 0.00 N ATOM 85 CA LYS A 7 -3.166 8.640 4.717 1.00 0.00 C ATOM 86 C LYS A 7 -3.735 8.829 3.311 1.00 0.00 C ATOM 87 O LYS A 7 -3.277 9.667 2.557 1.00 0.00 O ATOM 88 CB LYS A 7 -3.152 9.987 5.442 1.00 0.00 C ATOM 89 CG LYS A 7 -2.651 9.796 6.877 1.00 0.00 C ATOM 90 CD LYS A 7 -3.477 10.667 7.825 1.00 0.00 C ATOM 91 CE LYS A 7 -3.135 12.140 7.596 1.00 0.00 C ATOM 92 NZ LYS A 7 -2.102 12.570 8.583 1.00 0.00 N ATOM 0 H LYS A 7 -1.210 8.512 3.876 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.786 7.934 5.270 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.508 10.689 4.912 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.154 10.417 5.450 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.732 8.748 7.165 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.597 10.065 6.944 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.541 10.499 7.655 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.272 10.392 8.860 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -2.766 12.285 6.581 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.030 12.753 7.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.869 13.572 8.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.470 12.446 9.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.245 11.993 8.463 1.00 0.00 H new ATOM 106 N VAL A 8 -4.734 8.061 2.957 1.00 0.00 N ATOM 107 CA VAL A 8 -5.342 8.196 1.601 1.00 0.00 C ATOM 108 C VAL A 8 -6.017 9.563 1.488 1.00 0.00 C ATOM 109 O VAL A 8 -6.862 9.913 2.290 1.00 0.00 O ATOM 110 CB VAL A 8 -6.383 7.094 1.391 1.00 0.00 C ATOM 111 CG1 VAL A 8 -6.896 7.144 -0.049 1.00 0.00 C ATOM 112 CG2 VAL A 8 -5.741 5.730 1.652 1.00 0.00 C ATOM 0 H VAL A 8 -5.155 7.346 3.550 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.565 8.105 0.842 1.00 0.00 H new ATOM 0 HB VAL A 8 -7.214 7.245 2.080 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -7.637 6.359 -0.199 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.352 8.115 -0.239 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -6.064 6.993 -0.737 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -6.482 4.945 1.503 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -4.910 5.581 0.962 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.373 5.691 2.677 1.00 0.00 H new ATOM 122 N THR A 9 -5.647 10.337 0.498 1.00 0.00 N ATOM 123 CA THR A 9 -6.261 11.686 0.325 1.00 0.00 C ATOM 124 C THR A 9 -6.886 11.821 -1.074 1.00 0.00 C ATOM 125 O THR A 9 -7.497 12.827 -1.384 1.00 0.00 O ATOM 126 CB THR A 9 -5.182 12.760 0.500 1.00 0.00 C ATOM 127 OG1 THR A 9 -4.416 12.470 1.661 1.00 0.00 O ATOM 128 CG2 THR A 9 -5.836 14.137 0.651 1.00 0.00 C ATOM 0 H THR A 9 -4.944 10.090 -0.199 1.00 0.00 H new ATOM 0 HA THR A 9 -7.043 11.813 1.074 1.00 0.00 H new ATOM 0 HB THR A 9 -4.534 12.767 -0.377 1.00 0.00 H new ATOM 0 HG1 THR A 9 -3.724 13.154 1.775 1.00 0.00 H new ATOM 0 HG21 THR A 9 -5.063 14.895 0.775 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.424 14.360 -0.239 1.00 0.00 H new ATOM 0 HG23 THR A 9 -6.487 14.137 1.525 1.00 0.00 H new ATOM 136 N ALA A 10 -6.741 10.825 -1.921 1.00 0.00 N ATOM 137 CA ALA A 10 -7.329 10.915 -3.290 1.00 0.00 C ATOM 138 C ALA A 10 -8.840 10.685 -3.216 1.00 0.00 C ATOM 139 O ALA A 10 -9.307 9.797 -2.531 1.00 0.00 O ATOM 140 CB ALA A 10 -6.695 9.851 -4.189 1.00 0.00 C ATOM 0 H ALA A 10 -6.242 9.959 -1.720 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.133 11.905 -3.703 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.124 9.917 -5.189 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -5.619 10.016 -4.245 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.890 8.862 -3.775 1.00 0.00 H new ATOM 146 N ASP A 11 -9.602 11.485 -3.919 1.00 0.00 N ATOM 147 CA ASP A 11 -11.090 11.332 -3.907 1.00 0.00 C ATOM 148 C ASP A 11 -11.480 10.065 -4.670 1.00 0.00 C ATOM 149 O ASP A 11 -11.763 10.101 -5.852 1.00 0.00 O ATOM 150 CB ASP A 11 -11.745 12.552 -4.572 1.00 0.00 C ATOM 151 CG ASP A 11 -11.078 12.858 -5.923 1.00 0.00 C ATOM 152 OD1 ASP A 11 -10.310 12.033 -6.395 1.00 0.00 O ATOM 153 OD2 ASP A 11 -11.350 13.918 -6.462 1.00 0.00 O ATOM 0 H ASP A 11 -9.254 12.244 -4.505 1.00 0.00 H new ATOM 0 HA ASP A 11 -11.434 11.257 -2.875 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -12.808 12.364 -4.720 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -11.662 13.418 -3.916 1.00 0.00 H new ATOM 158 N SER A 12 -11.499 8.941 -3.998 1.00 0.00 N ATOM 159 CA SER A 12 -11.868 7.649 -4.658 1.00 0.00 C ATOM 160 C SER A 12 -11.542 6.507 -3.699 1.00 0.00 C ATOM 161 O SER A 12 -12.233 5.507 -3.648 1.00 0.00 O ATOM 162 CB SER A 12 -11.068 7.455 -5.953 1.00 0.00 C ATOM 163 OG SER A 12 -9.744 7.936 -5.763 1.00 0.00 O ATOM 0 H SER A 12 -11.272 8.862 -3.007 1.00 0.00 H new ATOM 0 HA SER A 12 -12.930 7.661 -4.902 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.048 6.400 -6.227 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.547 7.989 -6.774 1.00 0.00 H new ATOM 0 HG SER A 12 -9.229 7.812 -6.588 1.00 0.00 H new ATOM 169 N GLY A 13 -10.487 6.655 -2.937 1.00 0.00 N ATOM 170 CA GLY A 13 -10.100 5.588 -1.971 1.00 0.00 C ATOM 171 C GLY A 13 -9.108 4.630 -2.633 1.00 0.00 C ATOM 172 O GLY A 13 -8.380 5.004 -3.535 1.00 0.00 O ATOM 0 H GLY A 13 -9.877 7.472 -2.944 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -9.653 6.033 -1.082 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -10.985 5.042 -1.643 1.00 0.00 H new ATOM 176 N ILE A 14 -9.074 3.400 -2.190 1.00 0.00 N ATOM 177 CA ILE A 14 -8.130 2.409 -2.786 1.00 0.00 C ATOM 178 C ILE A 14 -8.917 1.201 -3.303 1.00 0.00 C ATOM 179 O ILE A 14 -9.349 0.360 -2.538 1.00 0.00 O ATOM 180 CB ILE A 14 -7.130 1.948 -1.723 1.00 0.00 C ATOM 181 CG1 ILE A 14 -6.459 3.171 -1.091 1.00 0.00 C ATOM 182 CG2 ILE A 14 -6.065 1.064 -2.373 1.00 0.00 C ATOM 183 CD1 ILE A 14 -5.711 2.746 0.174 1.00 0.00 C ATOM 0 H ILE A 14 -9.661 3.038 -1.439 1.00 0.00 H new ATOM 0 HA ILE A 14 -7.592 2.874 -3.612 1.00 0.00 H new ATOM 0 HB ILE A 14 -7.654 1.380 -0.954 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -5.767 3.626 -1.800 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -7.208 3.925 -0.848 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -5.353 0.736 -1.616 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -6.541 0.194 -2.825 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -5.541 1.631 -3.142 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -5.233 3.616 0.624 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.414 2.311 0.884 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -4.951 2.008 -0.083 1.00 0.00 H new ATOM 195 N HIS A 15 -9.105 1.113 -4.597 1.00 0.00 N ATOM 196 CA HIS A 15 -9.864 -0.036 -5.171 1.00 0.00 C ATOM 197 C HIS A 15 -8.976 -0.788 -6.197 1.00 0.00 C ATOM 198 O HIS A 15 -7.876 -1.191 -5.863 1.00 0.00 O ATOM 199 CB HIS A 15 -11.179 0.479 -5.791 1.00 0.00 C ATOM 200 CG HIS A 15 -10.912 1.658 -6.691 1.00 0.00 C ATOM 201 ND1 HIS A 15 -11.011 1.577 -8.071 1.00 0.00 N ATOM 202 CD2 HIS A 15 -10.563 2.958 -6.417 1.00 0.00 C ATOM 203 CE1 HIS A 15 -10.724 2.794 -8.569 1.00 0.00 C ATOM 204 NE2 HIS A 15 -10.445 3.672 -7.604 1.00 0.00 N ATOM 0 H HIS A 15 -8.764 1.790 -5.280 1.00 0.00 H new ATOM 0 HA HIS A 15 -10.127 -0.749 -4.390 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -11.657 -0.319 -6.359 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -11.872 0.767 -5.001 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -10.404 3.364 -5.429 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -10.720 3.031 -9.623 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -10.198 4.656 -7.714 1.00 0.00 H new ATOM 212 N ALA A 16 -9.426 -1.013 -7.419 1.00 0.00 N ATOM 213 CA ALA A 16 -8.590 -1.773 -8.402 1.00 0.00 C ATOM 214 C ALA A 16 -7.578 -0.862 -9.108 1.00 0.00 C ATOM 215 O ALA A 16 -6.518 -1.310 -9.503 1.00 0.00 O ATOM 216 CB ALA A 16 -9.505 -2.409 -9.450 1.00 0.00 C ATOM 0 H ALA A 16 -10.332 -0.702 -7.770 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.036 -2.537 -7.857 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.903 -2.964 -10.169 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -10.203 -3.088 -8.960 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -10.062 -1.629 -9.968 1.00 0.00 H new ATOM 222 N ARG A 17 -7.890 0.397 -9.291 1.00 0.00 N ATOM 223 CA ARG A 17 -6.932 1.306 -9.995 1.00 0.00 C ATOM 224 C ARG A 17 -5.617 1.410 -9.194 1.00 0.00 C ATOM 225 O ARG A 17 -4.560 1.145 -9.736 1.00 0.00 O ATOM 226 CB ARG A 17 -7.560 2.698 -10.163 1.00 0.00 C ATOM 227 CG ARG A 17 -7.545 3.105 -11.640 1.00 0.00 C ATOM 228 CD ARG A 17 -8.338 4.402 -11.819 1.00 0.00 C ATOM 229 NE ARG A 17 -8.532 4.668 -13.273 1.00 0.00 N ATOM 230 CZ ARG A 17 -8.985 5.826 -13.668 1.00 0.00 C ATOM 231 NH1 ARG A 17 -10.268 6.060 -13.662 1.00 0.00 N ATOM 232 NH2 ARG A 17 -8.155 6.750 -14.067 1.00 0.00 N ATOM 0 H ARG A 17 -8.760 0.833 -8.986 1.00 0.00 H new ATOM 0 HA ARG A 17 -6.712 0.896 -10.981 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.584 2.691 -9.789 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -7.009 3.428 -9.570 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -6.519 3.244 -11.980 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -7.979 2.313 -12.251 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -9.304 4.322 -11.321 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -7.807 5.233 -11.354 1.00 0.00 H new ATOM 0 HE ARG A 17 -8.311 3.946 -13.958 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -10.917 5.338 -13.349 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -10.623 6.965 -13.971 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -7.152 6.567 -14.070 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -8.510 7.655 -14.376 1.00 0.00 H new ATOM 246 N PRO A 18 -5.697 1.788 -7.928 1.00 0.00 N ATOM 247 CA PRO A 18 -4.494 1.919 -7.087 1.00 0.00 C ATOM 248 C PRO A 18 -3.992 0.542 -6.635 1.00 0.00 C ATOM 249 O PRO A 18 -2.845 0.394 -6.258 1.00 0.00 O ATOM 250 CB PRO A 18 -4.967 2.752 -5.895 1.00 0.00 C ATOM 251 CG PRO A 18 -6.500 2.578 -5.824 1.00 0.00 C ATOM 252 CD PRO A 18 -6.959 2.114 -7.217 1.00 0.00 C ATOM 0 HA PRO A 18 -3.659 2.381 -7.614 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -4.494 2.414 -4.973 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -4.701 3.801 -6.024 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.771 1.846 -5.064 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.983 3.516 -5.550 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -7.615 1.246 -7.151 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -7.516 2.896 -7.733 1.00 0.00 H new ATOM 260 N ALA A 19 -4.834 -0.466 -6.671 1.00 0.00 N ATOM 261 CA ALA A 19 -4.389 -1.828 -6.248 1.00 0.00 C ATOM 262 C ALA A 19 -3.516 -2.445 -7.346 1.00 0.00 C ATOM 263 O ALA A 19 -2.662 -3.269 -7.077 1.00 0.00 O ATOM 264 CB ALA A 19 -5.612 -2.717 -6.015 1.00 0.00 C ATOM 0 H ALA A 19 -5.806 -0.402 -6.974 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.814 -1.749 -5.325 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.286 -3.710 -5.706 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.235 -2.281 -5.234 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.187 -2.794 -6.938 1.00 0.00 H new ATOM 270 N THR A 20 -3.724 -2.051 -8.579 1.00 0.00 N ATOM 271 CA THR A 20 -2.909 -2.610 -9.696 1.00 0.00 C ATOM 272 C THR A 20 -1.570 -1.873 -9.763 1.00 0.00 C ATOM 273 O THR A 20 -0.545 -2.455 -10.064 1.00 0.00 O ATOM 274 CB THR A 20 -3.660 -2.429 -11.019 1.00 0.00 C ATOM 275 OG1 THR A 20 -4.954 -3.004 -10.905 1.00 0.00 O ATOM 276 CG2 THR A 20 -2.893 -3.117 -12.154 1.00 0.00 C ATOM 0 H THR A 20 -4.425 -1.365 -8.858 1.00 0.00 H new ATOM 0 HA THR A 20 -2.733 -3.672 -9.523 1.00 0.00 H new ATOM 0 HB THR A 20 -3.747 -1.366 -11.242 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.540 -2.395 -10.410 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.433 -2.984 -13.091 1.00 0.00 H new ATOM 0 HG22 THR A 20 -1.900 -2.676 -12.242 1.00 0.00 H new ATOM 0 HG23 THR A 20 -2.799 -4.181 -11.937 1.00 0.00 H new ATOM 284 N VAL A 21 -1.574 -0.595 -9.480 1.00 0.00 N ATOM 285 CA VAL A 21 -0.303 0.189 -9.516 1.00 0.00 C ATOM 286 C VAL A 21 0.524 -0.120 -8.262 1.00 0.00 C ATOM 287 O VAL A 21 1.737 -0.013 -8.266 1.00 0.00 O ATOM 288 CB VAL A 21 -0.630 1.684 -9.557 1.00 0.00 C ATOM 289 CG1 VAL A 21 0.659 2.486 -9.751 1.00 0.00 C ATOM 290 CG2 VAL A 21 -1.584 1.967 -10.721 1.00 0.00 C ATOM 0 H VAL A 21 -2.404 -0.060 -9.225 1.00 0.00 H new ATOM 0 HA VAL A 21 0.269 -0.083 -10.403 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.102 1.976 -8.619 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.425 3.550 -9.780 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.340 2.287 -8.923 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.132 2.193 -10.688 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.817 3.031 -10.750 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.112 1.673 -11.658 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -2.504 1.398 -10.584 1.00 0.00 H new ATOM 300 N LEU A 22 -0.125 -0.501 -7.189 1.00 0.00 N ATOM 301 CA LEU A 22 0.609 -0.814 -5.929 1.00 0.00 C ATOM 302 C LEU A 22 1.155 -2.243 -5.987 1.00 0.00 C ATOM 303 O LEU A 22 2.229 -2.521 -5.493 1.00 0.00 O ATOM 304 CB LEU A 22 -0.346 -0.686 -4.740 1.00 0.00 C ATOM 305 CG LEU A 22 -0.637 0.791 -4.475 1.00 0.00 C ATOM 306 CD1 LEU A 22 -1.928 0.920 -3.664 1.00 0.00 C ATOM 307 CD2 LEU A 22 0.521 1.404 -3.687 1.00 0.00 C ATOM 0 H LEU A 22 -1.138 -0.608 -7.134 1.00 0.00 H new ATOM 0 HA LEU A 22 1.438 -0.116 -5.814 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.274 -1.219 -4.947 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.095 -1.145 -3.855 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.750 1.315 -5.424 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.135 1.973 -3.475 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.755 0.482 -4.224 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.815 0.397 -2.715 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.315 2.457 -3.497 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.633 0.880 -2.738 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.442 1.313 -4.263 1.00 0.00 H new ATOM 319 N VAL A 23 0.419 -3.148 -6.581 1.00 0.00 N ATOM 320 CA VAL A 23 0.890 -4.563 -6.669 1.00 0.00 C ATOM 321 C VAL A 23 2.093 -4.643 -7.620 1.00 0.00 C ATOM 322 O VAL A 23 2.975 -5.462 -7.449 1.00 0.00 O ATOM 323 CB VAL A 23 -0.257 -5.449 -7.187 1.00 0.00 C ATOM 324 CG1 VAL A 23 -0.686 -4.985 -8.580 1.00 0.00 C ATOM 325 CG2 VAL A 23 0.199 -6.914 -7.250 1.00 0.00 C ATOM 0 H VAL A 23 -0.489 -2.967 -7.009 1.00 0.00 H new ATOM 0 HA VAL A 23 1.195 -4.914 -5.683 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.103 -5.366 -6.504 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.498 -5.617 -8.940 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.026 -3.951 -8.530 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.160 -5.057 -9.264 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.619 -7.534 -7.618 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.052 -7.001 -7.924 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.488 -7.248 -6.254 1.00 0.00 H new ATOM 335 N GLN A 24 2.124 -3.802 -8.623 1.00 0.00 N ATOM 336 CA GLN A 24 3.256 -3.826 -9.595 1.00 0.00 C ATOM 337 C GLN A 24 4.533 -3.304 -8.928 1.00 0.00 C ATOM 338 O GLN A 24 5.586 -3.902 -9.042 1.00 0.00 O ATOM 339 CB GLN A 24 2.913 -2.943 -10.796 1.00 0.00 C ATOM 340 CG GLN A 24 2.207 -3.784 -11.862 1.00 0.00 C ATOM 341 CD GLN A 24 1.282 -2.889 -12.690 1.00 0.00 C ATOM 342 OE1 GLN A 24 1.537 -1.712 -12.848 1.00 0.00 O ATOM 343 NE2 GLN A 24 0.211 -3.402 -13.232 1.00 0.00 N ATOM 0 H GLN A 24 1.410 -3.098 -8.810 1.00 0.00 H new ATOM 0 HA GLN A 24 3.420 -4.851 -9.926 1.00 0.00 H new ATOM 0 HB2 GLN A 24 2.271 -2.119 -10.484 1.00 0.00 H new ATOM 0 HB3 GLN A 24 3.821 -2.502 -11.208 1.00 0.00 H new ATOM 0 HG2 GLN A 24 2.943 -4.262 -12.509 1.00 0.00 H new ATOM 0 HG3 GLN A 24 1.632 -4.581 -11.390 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -0.004 -4.390 -13.100 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -0.411 -2.815 -13.788 1.00 0.00 H new ATOM 352 N THR A 25 4.448 -2.193 -8.240 1.00 0.00 N ATOM 353 CA THR A 25 5.659 -1.625 -7.571 1.00 0.00 C ATOM 354 C THR A 25 6.199 -2.619 -6.537 1.00 0.00 C ATOM 355 O THR A 25 7.384 -2.886 -6.483 1.00 0.00 O ATOM 356 CB THR A 25 5.289 -0.316 -6.871 1.00 0.00 C ATOM 357 OG1 THR A 25 4.602 0.529 -7.784 1.00 0.00 O ATOM 358 CG2 THR A 25 6.560 0.382 -6.386 1.00 0.00 C ATOM 0 H THR A 25 3.591 -1.654 -8.112 1.00 0.00 H new ATOM 0 HA THR A 25 6.426 -1.436 -8.322 1.00 0.00 H new ATOM 0 HB THR A 25 4.646 -0.529 -6.017 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.651 0.294 -7.794 1.00 0.00 H new ATOM 0 HG21 THR A 25 6.295 1.314 -5.887 1.00 0.00 H new ATOM 0 HG22 THR A 25 7.087 -0.267 -5.686 1.00 0.00 H new ATOM 0 HG23 THR A 25 7.205 0.597 -7.238 1.00 0.00 H new ATOM 366 N ALA A 26 5.337 -3.161 -5.718 1.00 0.00 N ATOM 367 CA ALA A 26 5.786 -4.136 -4.678 1.00 0.00 C ATOM 368 C ALA A 26 6.311 -5.413 -5.346 1.00 0.00 C ATOM 369 O ALA A 26 7.093 -6.141 -4.767 1.00 0.00 O ATOM 370 CB ALA A 26 4.607 -4.487 -3.769 1.00 0.00 C ATOM 0 H ALA A 26 4.335 -2.970 -5.724 1.00 0.00 H new ATOM 0 HA ALA A 26 6.586 -3.687 -4.089 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.932 -5.198 -3.010 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.239 -3.582 -3.285 1.00 0.00 H new ATOM 0 HB3 ALA A 26 3.809 -4.931 -4.364 1.00 0.00 H new ATOM 376 N SER A 27 5.884 -5.691 -6.553 1.00 0.00 N ATOM 377 CA SER A 27 6.357 -6.921 -7.255 1.00 0.00 C ATOM 378 C SER A 27 7.864 -6.821 -7.512 1.00 0.00 C ATOM 379 O SER A 27 8.554 -7.820 -7.587 1.00 0.00 O ATOM 380 CB SER A 27 5.621 -7.062 -8.587 1.00 0.00 C ATOM 381 OG SER A 27 5.521 -8.440 -8.924 1.00 0.00 O ATOM 0 H SER A 27 5.227 -5.117 -7.082 1.00 0.00 H new ATOM 0 HA SER A 27 6.154 -7.792 -6.632 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.627 -6.620 -8.515 1.00 0.00 H new ATOM 0 HB3 SER A 27 6.154 -6.522 -9.369 1.00 0.00 H new ATOM 0 HG SER A 27 5.048 -8.535 -9.777 1.00 0.00 H new ATOM 387 N LYS A 28 8.376 -5.623 -7.652 1.00 0.00 N ATOM 388 CA LYS A 28 9.837 -5.451 -7.908 1.00 0.00 C ATOM 389 C LYS A 28 10.640 -5.951 -6.703 1.00 0.00 C ATOM 390 O LYS A 28 11.778 -6.360 -6.836 1.00 0.00 O ATOM 391 CB LYS A 28 10.139 -3.969 -8.143 1.00 0.00 C ATOM 392 CG LYS A 28 9.647 -3.558 -9.535 1.00 0.00 C ATOM 393 CD LYS A 28 10.813 -3.602 -10.526 1.00 0.00 C ATOM 394 CE LYS A 28 10.316 -3.212 -11.918 1.00 0.00 C ATOM 395 NZ LYS A 28 11.125 -3.918 -12.951 1.00 0.00 N ATOM 0 H LYS A 28 7.842 -4.755 -7.600 1.00 0.00 H new ATOM 0 HA LYS A 28 10.118 -6.028 -8.789 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.651 -3.363 -7.380 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.210 -3.788 -8.057 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.852 -4.228 -9.863 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.224 -2.554 -9.500 1.00 0.00 H new ATOM 0 HD2 LYS A 28 11.602 -2.921 -10.206 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.246 -4.602 -10.550 1.00 0.00 H new ATOM 0 HE2 LYS A 28 9.263 -3.472 -12.026 1.00 0.00 H new ATOM 0 HE3 LYS A 28 10.394 -2.133 -12.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.787 -3.653 -13.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 12.125 -3.649 -12.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 11.029 -4.946 -12.825 1.00 0.00 H new ATOM 409 N TYR A 29 10.060 -5.914 -5.529 1.00 0.00 N ATOM 410 CA TYR A 29 10.789 -6.379 -4.312 1.00 0.00 C ATOM 411 C TYR A 29 10.249 -7.741 -3.877 1.00 0.00 C ATOM 412 O TYR A 29 9.054 -7.968 -3.857 1.00 0.00 O ATOM 413 CB TYR A 29 10.592 -5.367 -3.179 1.00 0.00 C ATOM 414 CG TYR A 29 10.972 -3.990 -3.669 1.00 0.00 C ATOM 415 CD1 TYR A 29 10.048 -3.227 -4.391 1.00 0.00 C ATOM 416 CD2 TYR A 29 12.250 -3.482 -3.410 1.00 0.00 C ATOM 417 CE1 TYR A 29 10.400 -1.955 -4.854 1.00 0.00 C ATOM 418 CE2 TYR A 29 12.603 -2.209 -3.871 1.00 0.00 C ATOM 419 CZ TYR A 29 11.679 -1.445 -4.595 1.00 0.00 C ATOM 420 OH TYR A 29 12.029 -0.192 -5.053 1.00 0.00 O ATOM 0 H TYR A 29 9.111 -5.581 -5.362 1.00 0.00 H new ATOM 0 HA TYR A 29 11.851 -6.468 -4.541 1.00 0.00 H new ATOM 0 HB2 TYR A 29 9.554 -5.374 -2.846 1.00 0.00 H new ATOM 0 HB3 TYR A 29 11.204 -5.642 -2.320 1.00 0.00 H new ATOM 0 HD1 TYR A 29 9.062 -3.620 -4.591 1.00 0.00 H new ATOM 0 HD2 TYR A 29 12.964 -4.072 -2.854 1.00 0.00 H new ATOM 0 HE1 TYR A 29 9.686 -1.366 -5.411 1.00 0.00 H new ATOM 0 HE2 TYR A 29 13.588 -1.815 -3.669 1.00 0.00 H new ATOM 0 HH TYR A 29 12.950 0.008 -4.786 1.00 0.00 H new ATOM 430 N ASP A 30 11.126 -8.646 -3.526 1.00 0.00 N ATOM 431 CA ASP A 30 10.678 -10.001 -3.086 1.00 0.00 C ATOM 432 C ASP A 30 10.400 -10.008 -1.573 1.00 0.00 C ATOM 433 O ASP A 30 10.113 -11.044 -1.002 1.00 0.00 O ATOM 434 CB ASP A 30 11.771 -11.024 -3.403 1.00 0.00 C ATOM 435 CG ASP A 30 11.704 -11.397 -4.885 1.00 0.00 C ATOM 436 OD1 ASP A 30 11.925 -10.523 -5.707 1.00 0.00 O ATOM 437 OD2 ASP A 30 11.432 -12.552 -5.173 1.00 0.00 O ATOM 0 H ASP A 30 12.136 -8.504 -3.525 1.00 0.00 H new ATOM 0 HA ASP A 30 9.761 -10.259 -3.616 1.00 0.00 H new ATOM 0 HB2 ASP A 30 12.751 -10.611 -3.165 1.00 0.00 H new ATOM 0 HB3 ASP A 30 11.642 -11.914 -2.787 1.00 0.00 H new ATOM 442 N ALA A 31 10.477 -8.870 -0.917 1.00 0.00 N ATOM 443 CA ALA A 31 10.214 -8.830 0.551 1.00 0.00 C ATOM 444 C ALA A 31 8.736 -9.137 0.808 1.00 0.00 C ATOM 445 O ALA A 31 8.034 -9.613 -0.065 1.00 0.00 O ATOM 446 CB ALA A 31 10.549 -7.438 1.091 1.00 0.00 C ATOM 0 H ALA A 31 10.711 -7.971 -1.339 1.00 0.00 H new ATOM 0 HA ALA A 31 10.834 -9.572 1.055 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.357 -7.408 2.164 1.00 0.00 H new ATOM 0 HB2 ALA A 31 11.600 -7.219 0.904 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.929 -6.695 0.590 1.00 0.00 H new ATOM 452 N ASP A 32 8.261 -8.867 1.998 1.00 0.00 N ATOM 453 CA ASP A 32 6.830 -9.142 2.316 1.00 0.00 C ATOM 454 C ASP A 32 6.103 -7.826 2.592 1.00 0.00 C ATOM 455 O ASP A 32 6.168 -7.288 3.682 1.00 0.00 O ATOM 456 CB ASP A 32 6.741 -10.039 3.551 1.00 0.00 C ATOM 457 CG ASP A 32 7.433 -11.373 3.265 1.00 0.00 C ATOM 458 OD1 ASP A 32 7.318 -11.849 2.147 1.00 0.00 O ATOM 459 OD2 ASP A 32 8.065 -11.896 4.168 1.00 0.00 O ATOM 0 H ASP A 32 8.805 -8.467 2.763 1.00 0.00 H new ATOM 0 HA ASP A 32 6.364 -9.644 1.468 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.211 -9.549 4.404 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.697 -10.208 3.816 1.00 0.00 H new ATOM 464 N VAL A 33 5.409 -7.307 1.612 1.00 0.00 N ATOM 465 CA VAL A 33 4.668 -6.025 1.809 1.00 0.00 C ATOM 466 C VAL A 33 3.222 -6.329 2.213 1.00 0.00 C ATOM 467 O VAL A 33 2.522 -7.063 1.542 1.00 0.00 O ATOM 468 CB VAL A 33 4.683 -5.209 0.510 1.00 0.00 C ATOM 469 CG1 VAL A 33 6.102 -4.694 0.253 1.00 0.00 C ATOM 470 CG2 VAL A 33 4.232 -6.085 -0.670 1.00 0.00 C ATOM 0 H VAL A 33 5.323 -7.717 0.682 1.00 0.00 H new ATOM 0 HA VAL A 33 5.151 -5.447 2.597 1.00 0.00 H new ATOM 0 HB VAL A 33 3.997 -4.367 0.608 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.117 -4.114 -0.669 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.416 -4.063 1.084 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.785 -5.539 0.161 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.246 -5.496 -1.587 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.909 -6.933 -0.773 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.221 -6.448 -0.488 1.00 0.00 H new ATOM 480 N ASN A 34 2.774 -5.771 3.311 1.00 0.00 N ATOM 481 CA ASN A 34 1.375 -6.025 3.768 1.00 0.00 C ATOM 482 C ASN A 34 0.695 -4.697 4.107 1.00 0.00 C ATOM 483 O ASN A 34 1.339 -3.744 4.507 1.00 0.00 O ATOM 484 CB ASN A 34 1.394 -6.913 5.017 1.00 0.00 C ATOM 485 CG ASN A 34 2.253 -8.152 4.758 1.00 0.00 C ATOM 486 OD1 ASN A 34 1.762 -9.163 4.295 1.00 0.00 O ATOM 487 ND2 ASN A 34 3.528 -8.119 5.040 1.00 0.00 N ATOM 0 H ASN A 34 3.318 -5.150 3.910 1.00 0.00 H new ATOM 0 HA ASN A 34 0.825 -6.525 2.971 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.790 -6.355 5.865 1.00 0.00 H new ATOM 0 HB3 ASN A 34 0.379 -7.211 5.278 1.00 0.00 H new ATOM 0 HD21 ASN A 34 4.109 -8.940 4.872 1.00 0.00 H new ATOM 0 HD22 ASN A 34 3.943 -7.272 5.429 1.00 0.00 H new ATOM 494 N LEU A 35 -0.604 -4.635 3.956 1.00 0.00 N ATOM 495 CA LEU A 35 -1.344 -3.378 4.271 1.00 0.00 C ATOM 496 C LEU A 35 -2.242 -3.615 5.488 1.00 0.00 C ATOM 497 O LEU A 35 -2.997 -4.568 5.534 1.00 0.00 O ATOM 498 CB LEU A 35 -2.205 -2.978 3.070 1.00 0.00 C ATOM 499 CG LEU A 35 -2.728 -1.554 3.268 1.00 0.00 C ATOM 500 CD1 LEU A 35 -2.868 -0.869 1.907 1.00 0.00 C ATOM 501 CD2 LEU A 35 -4.095 -1.604 3.954 1.00 0.00 C ATOM 0 H LEU A 35 -1.185 -5.406 3.626 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.635 -2.579 4.489 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.619 -3.037 2.153 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.039 -3.671 2.960 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.029 -0.993 3.888 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -3.241 0.146 2.047 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.896 -0.834 1.416 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.568 -1.430 1.287 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.468 -0.590 4.095 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.794 -2.164 3.333 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.998 -2.093 4.923 1.00 0.00 H new ATOM 513 N GLU A 36 -2.160 -2.756 6.473 1.00 0.00 N ATOM 514 CA GLU A 36 -3.003 -2.929 7.693 1.00 0.00 C ATOM 515 C GLU A 36 -4.114 -1.877 7.708 1.00 0.00 C ATOM 516 O GLU A 36 -3.867 -0.696 7.556 1.00 0.00 O ATOM 517 CB GLU A 36 -2.138 -2.767 8.944 1.00 0.00 C ATOM 518 CG GLU A 36 -2.858 -3.380 10.147 1.00 0.00 C ATOM 519 CD GLU A 36 -1.840 -3.707 11.241 1.00 0.00 C ATOM 520 OE1 GLU A 36 -1.282 -2.778 11.800 1.00 0.00 O ATOM 521 OE2 GLU A 36 -1.636 -4.882 11.501 1.00 0.00 O ATOM 0 H GLU A 36 -1.545 -1.942 6.484 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.446 -3.925 7.681 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.174 -3.254 8.797 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.938 -1.711 9.126 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -3.607 -2.686 10.528 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.386 -4.284 9.846 1.00 0.00 H new ATOM 528 N TYR A 37 -5.337 -2.305 7.892 1.00 0.00 N ATOM 529 CA TYR A 37 -6.480 -1.347 7.920 1.00 0.00 C ATOM 530 C TYR A 37 -7.675 -2.002 8.618 1.00 0.00 C ATOM 531 O TYR A 37 -7.925 -3.182 8.460 1.00 0.00 O ATOM 532 CB TYR A 37 -6.867 -0.981 6.489 1.00 0.00 C ATOM 533 CG TYR A 37 -7.640 0.314 6.493 1.00 0.00 C ATOM 534 CD1 TYR A 37 -6.967 1.525 6.676 1.00 0.00 C ATOM 535 CD2 TYR A 37 -9.027 0.304 6.305 1.00 0.00 C ATOM 536 CE1 TYR A 37 -7.677 2.728 6.673 1.00 0.00 C ATOM 537 CE2 TYR A 37 -9.740 1.510 6.304 1.00 0.00 C ATOM 538 CZ TYR A 37 -9.064 2.722 6.487 1.00 0.00 C ATOM 539 OH TYR A 37 -9.765 3.910 6.483 1.00 0.00 O ATOM 0 H TYR A 37 -5.593 -3.283 8.025 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.190 -0.447 8.462 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -5.973 -0.881 5.873 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -7.470 -1.776 6.049 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -5.897 1.531 6.820 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -9.547 -0.632 6.161 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -7.155 3.663 6.814 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -10.811 1.505 6.162 1.00 0.00 H new ATOM 0 HH TYR A 37 -10.717 3.727 6.341 1.00 0.00 H new ATOM 549 N ASN A 38 -8.422 -1.241 9.380 1.00 0.00 N ATOM 550 CA ASN A 38 -9.609 -1.797 10.086 1.00 0.00 C ATOM 551 C ASN A 38 -9.198 -2.987 10.965 1.00 0.00 C ATOM 552 O ASN A 38 -9.980 -3.885 11.212 1.00 0.00 O ATOM 553 CB ASN A 38 -10.633 -2.253 9.050 1.00 0.00 C ATOM 554 CG ASN A 38 -11.666 -1.146 8.823 1.00 0.00 C ATOM 555 OD1 ASN A 38 -11.321 0.017 8.748 1.00 0.00 O ATOM 556 ND2 ASN A 38 -12.927 -1.461 8.709 1.00 0.00 N ATOM 0 H ASN A 38 -8.255 -0.248 9.542 1.00 0.00 H new ATOM 0 HA ASN A 38 -10.042 -1.027 10.724 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -10.133 -2.495 8.112 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -11.129 -3.162 9.390 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -13.623 -0.731 8.557 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -13.217 -2.437 8.772 1.00 0.00 H new ATOM 563 N GLY A 39 -7.977 -2.991 11.438 1.00 0.00 N ATOM 564 CA GLY A 39 -7.506 -4.115 12.303 1.00 0.00 C ATOM 565 C GLY A 39 -7.459 -5.407 11.494 1.00 0.00 C ATOM 566 O GLY A 39 -7.851 -6.459 11.963 1.00 0.00 O ATOM 0 H GLY A 39 -7.285 -2.263 11.262 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -6.517 -3.889 12.702 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.174 -4.234 13.156 1.00 0.00 H new ATOM 570 N LYS A 40 -6.967 -5.335 10.287 1.00 0.00 N ATOM 571 CA LYS A 40 -6.871 -6.556 9.440 1.00 0.00 C ATOM 572 C LYS A 40 -5.599 -6.480 8.602 1.00 0.00 C ATOM 573 O LYS A 40 -5.201 -5.424 8.156 1.00 0.00 O ATOM 574 CB LYS A 40 -8.080 -6.649 8.512 1.00 0.00 C ATOM 575 CG LYS A 40 -9.263 -7.256 9.269 1.00 0.00 C ATOM 576 CD LYS A 40 -9.097 -8.775 9.341 1.00 0.00 C ATOM 577 CE LYS A 40 -9.250 -9.373 7.941 1.00 0.00 C ATOM 578 NZ LYS A 40 -9.507 -10.836 8.051 1.00 0.00 N ATOM 0 H LYS A 40 -6.626 -4.479 9.850 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.847 -7.437 10.081 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.343 -5.659 8.140 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -7.838 -7.262 7.643 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -9.319 -6.838 10.274 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -10.197 -7.005 8.767 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.118 -9.025 9.750 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.842 -9.201 10.013 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.071 -8.887 7.414 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.347 -9.194 7.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -9.611 -11.243 7.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -8.709 -11.293 8.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.380 -10.995 8.593 1.00 0.00 H new ATOM 592 N THR A 41 -4.963 -7.593 8.389 1.00 0.00 N ATOM 593 CA THR A 41 -3.711 -7.599 7.579 1.00 0.00 C ATOM 594 C THR A 41 -3.940 -8.383 6.286 1.00 0.00 C ATOM 595 O THR A 41 -4.397 -9.512 6.308 1.00 0.00 O ATOM 596 CB THR A 41 -2.583 -8.252 8.382 1.00 0.00 C ATOM 597 OG1 THR A 41 -2.585 -7.734 9.705 1.00 0.00 O ATOM 598 CG2 THR A 41 -1.239 -7.953 7.718 1.00 0.00 C ATOM 0 H THR A 41 -5.255 -8.505 8.741 1.00 0.00 H new ATOM 0 HA THR A 41 -3.434 -6.573 7.335 1.00 0.00 H new ATOM 0 HB THR A 41 -2.737 -9.331 8.412 1.00 0.00 H new ATOM 0 HG1 THR A 41 -1.865 -8.152 10.221 1.00 0.00 H new ATOM 0 HG21 THR A 41 -0.438 -8.419 8.292 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.238 -8.351 6.703 1.00 0.00 H new ATOM 0 HG23 THR A 41 -1.082 -6.875 7.685 1.00 0.00 H new ATOM 606 N VAL A 42 -3.627 -7.793 5.162 1.00 0.00 N ATOM 607 CA VAL A 42 -3.823 -8.494 3.860 1.00 0.00 C ATOM 608 C VAL A 42 -2.546 -8.384 3.026 1.00 0.00 C ATOM 609 O VAL A 42 -1.545 -7.860 3.477 1.00 0.00 O ATOM 610 CB VAL A 42 -4.985 -7.850 3.100 1.00 0.00 C ATOM 611 CG1 VAL A 42 -6.290 -8.103 3.855 1.00 0.00 C ATOM 612 CG2 VAL A 42 -4.747 -6.341 2.988 1.00 0.00 C ATOM 0 H VAL A 42 -3.242 -6.851 5.090 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.049 -9.544 4.044 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.051 -8.284 2.102 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.118 -7.645 3.314 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.460 -9.176 3.937 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.223 -7.669 4.852 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.574 -5.881 2.447 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.681 -5.908 3.986 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.816 -6.158 2.451 1.00 0.00 H new ATOM 622 N ASN A 43 -2.576 -8.873 1.812 1.00 0.00 N ATOM 623 CA ASN A 43 -1.367 -8.800 0.940 1.00 0.00 C ATOM 624 C ASN A 43 -1.435 -7.524 0.096 1.00 0.00 C ATOM 625 O ASN A 43 -2.361 -7.325 -0.667 1.00 0.00 O ATOM 626 CB ASN A 43 -1.332 -10.023 0.017 1.00 0.00 C ATOM 627 CG ASN A 43 0.120 -10.417 -0.293 1.00 0.00 C ATOM 628 OD1 ASN A 43 0.413 -11.581 -0.483 1.00 0.00 O ATOM 629 ND2 ASN A 43 1.048 -9.498 -0.355 1.00 0.00 N ATOM 0 H ASN A 43 -3.388 -9.320 1.387 1.00 0.00 H new ATOM 0 HA ASN A 43 -0.468 -8.785 1.556 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -1.849 -10.858 0.489 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -1.862 -9.803 -0.910 1.00 0.00 H new ATOM 0 HD21 ASN A 43 2.012 -9.760 -0.562 1.00 0.00 H new ATOM 0 HD22 ASN A 43 0.808 -8.519 -0.196 1.00 0.00 H new ATOM 636 N LEU A 44 -0.461 -6.657 0.231 1.00 0.00 N ATOM 637 CA LEU A 44 -0.461 -5.386 -0.557 1.00 0.00 C ATOM 638 C LEU A 44 -0.492 -5.694 -2.060 1.00 0.00 C ATOM 639 O LEU A 44 -0.917 -4.876 -2.855 1.00 0.00 O ATOM 640 CB LEU A 44 0.804 -4.588 -0.229 1.00 0.00 C ATOM 641 CG LEU A 44 0.738 -3.220 -0.909 1.00 0.00 C ATOM 642 CD1 LEU A 44 -0.388 -2.392 -0.287 1.00 0.00 C ATOM 643 CD2 LEU A 44 2.070 -2.491 -0.718 1.00 0.00 C ATOM 0 H LEU A 44 0.337 -6.776 0.856 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.345 -4.805 -0.295 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.899 -4.465 0.850 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.687 -5.131 -0.567 1.00 0.00 H new ATOM 0 HG LEU A 44 0.544 -3.354 -1.973 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.434 -1.417 -0.773 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.338 -2.910 -0.422 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.196 -2.258 0.778 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.024 -1.516 -1.203 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.263 -2.359 0.347 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.873 -3.079 -1.162 1.00 0.00 H new ATOM 655 N LYS A 45 -0.046 -6.861 -2.453 1.00 0.00 N ATOM 656 CA LYS A 45 -0.046 -7.219 -3.903 1.00 0.00 C ATOM 657 C LYS A 45 -1.315 -8.009 -4.240 1.00 0.00 C ATOM 658 O LYS A 45 -1.277 -8.971 -4.985 1.00 0.00 O ATOM 659 CB LYS A 45 1.187 -8.069 -4.216 1.00 0.00 C ATOM 660 CG LYS A 45 2.419 -7.167 -4.309 1.00 0.00 C ATOM 661 CD LYS A 45 3.652 -7.933 -3.824 1.00 0.00 C ATOM 662 CE LYS A 45 4.023 -9.007 -4.848 1.00 0.00 C ATOM 663 NZ LYS A 45 5.414 -9.477 -4.594 1.00 0.00 N ATOM 0 H LYS A 45 0.319 -7.582 -1.830 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.022 -6.308 -4.501 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.331 -8.820 -3.439 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.044 -8.605 -5.154 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.564 -6.837 -5.338 1.00 0.00 H new ATOM 0 HG3 LYS A 45 2.273 -6.272 -3.705 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.487 -7.247 -3.683 1.00 0.00 H new ATOM 0 HD3 LYS A 45 3.450 -8.393 -2.857 1.00 0.00 H new ATOM 0 HE2 LYS A 45 3.327 -9.844 -4.782 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.942 -8.605 -5.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.672 -10.195 -5.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.070 -8.673 -4.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.472 -9.892 -3.642 1.00 0.00 H new ATOM 677 N SER A 46 -2.439 -7.610 -3.697 1.00 0.00 N ATOM 678 CA SER A 46 -3.713 -8.331 -3.983 1.00 0.00 C ATOM 679 C SER A 46 -4.779 -7.327 -4.420 1.00 0.00 C ATOM 680 O SER A 46 -4.991 -6.316 -3.778 1.00 0.00 O ATOM 681 CB SER A 46 -4.185 -9.048 -2.722 1.00 0.00 C ATOM 682 OG SER A 46 -5.018 -10.141 -3.085 1.00 0.00 O ATOM 0 H SER A 46 -2.527 -6.813 -3.066 1.00 0.00 H new ATOM 0 HA SER A 46 -3.547 -9.058 -4.778 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.328 -9.404 -2.150 1.00 0.00 H new ATOM 0 HB3 SER A 46 -4.732 -8.357 -2.080 1.00 0.00 H new ATOM 0 HG SER A 46 -5.321 -10.604 -2.276 1.00 0.00 H new ATOM 688 N ILE A 47 -5.454 -7.605 -5.505 1.00 0.00 N ATOM 689 CA ILE A 47 -6.516 -6.678 -5.989 1.00 0.00 C ATOM 690 C ILE A 47 -7.798 -6.936 -5.200 1.00 0.00 C ATOM 691 O ILE A 47 -8.533 -6.022 -4.879 1.00 0.00 O ATOM 692 CB ILE A 47 -6.773 -6.923 -7.479 1.00 0.00 C ATOM 693 CG1 ILE A 47 -5.455 -6.806 -8.252 1.00 0.00 C ATOM 694 CG2 ILE A 47 -7.768 -5.884 -8.002 1.00 0.00 C ATOM 695 CD1 ILE A 47 -4.859 -8.200 -8.461 1.00 0.00 C ATOM 0 H ILE A 47 -5.314 -8.437 -6.078 1.00 0.00 H new ATOM 0 HA ILE A 47 -6.196 -5.646 -5.846 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.186 -7.922 -7.617 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.627 -6.325 -9.215 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -4.754 -6.178 -7.703 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -7.952 -6.057 -9.062 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.706 -5.969 -7.453 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -7.356 -4.884 -7.864 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.922 -8.116 -9.011 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.672 -8.664 -7.493 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.559 -8.814 -9.028 1.00 0.00 H new ATOM 707 N MET A 48 -8.067 -8.177 -4.886 1.00 0.00 N ATOM 708 CA MET A 48 -9.300 -8.511 -4.113 1.00 0.00 C ATOM 709 C MET A 48 -8.971 -8.610 -2.618 1.00 0.00 C ATOM 710 O MET A 48 -9.705 -9.215 -1.858 1.00 0.00 O ATOM 711 CB MET A 48 -9.850 -9.853 -4.597 1.00 0.00 C ATOM 712 CG MET A 48 -11.369 -9.878 -4.426 1.00 0.00 C ATOM 713 SD MET A 48 -12.072 -11.177 -5.470 1.00 0.00 S ATOM 714 CE MET A 48 -13.810 -10.866 -5.079 1.00 0.00 C ATOM 0 H MET A 48 -7.483 -8.976 -5.133 1.00 0.00 H new ATOM 0 HA MET A 48 -10.042 -7.727 -4.266 1.00 0.00 H new ATOM 0 HB2 MET A 48 -9.589 -10.008 -5.644 1.00 0.00 H new ATOM 0 HB3 MET A 48 -9.397 -10.668 -4.032 1.00 0.00 H new ATOM 0 HG2 MET A 48 -11.625 -10.057 -3.382 1.00 0.00 H new ATOM 0 HG3 MET A 48 -11.792 -8.911 -4.696 1.00 0.00 H new ATOM 0 HE1 MET A 48 -14.438 -11.570 -5.626 1.00 0.00 H new ATOM 0 HE2 MET A 48 -13.970 -10.993 -4.008 1.00 0.00 H new ATOM 0 HE3 MET A 48 -14.071 -9.847 -5.366 1.00 0.00 H new ATOM 724 N GLY A 49 -7.881 -8.022 -2.189 1.00 0.00 N ATOM 725 CA GLY A 49 -7.512 -8.080 -0.745 1.00 0.00 C ATOM 726 C GLY A 49 -8.059 -6.842 -0.031 1.00 0.00 C ATOM 727 O GLY A 49 -8.842 -6.944 0.894 1.00 0.00 O ATOM 0 H GLY A 49 -7.231 -7.504 -2.780 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -7.917 -8.984 -0.291 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -6.428 -8.127 -0.637 1.00 0.00 H new ATOM 731 N VAL A 50 -7.652 -5.675 -0.460 1.00 0.00 N ATOM 732 CA VAL A 50 -8.144 -4.419 0.181 1.00 0.00 C ATOM 733 C VAL A 50 -9.642 -4.233 -0.103 1.00 0.00 C ATOM 734 O VAL A 50 -10.313 -3.468 0.563 1.00 0.00 O ATOM 735 CB VAL A 50 -7.367 -3.226 -0.382 1.00 0.00 C ATOM 736 CG1 VAL A 50 -7.762 -1.953 0.369 1.00 0.00 C ATOM 737 CG2 VAL A 50 -5.866 -3.471 -0.210 1.00 0.00 C ATOM 0 H VAL A 50 -6.997 -5.538 -1.230 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.992 -4.484 1.258 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.601 -3.109 -1.440 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.207 -1.106 -0.034 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.831 -1.777 0.249 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.530 -2.068 1.428 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.311 -2.623 -0.610 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.636 -3.589 0.849 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.581 -4.376 -0.746 1.00 0.00 H new ATOM 747 N VAL A 51 -10.173 -4.924 -1.088 1.00 0.00 N ATOM 748 CA VAL A 51 -11.625 -4.787 -1.419 1.00 0.00 C ATOM 749 C VAL A 51 -12.477 -5.114 -0.185 1.00 0.00 C ATOM 750 O VAL A 51 -13.569 -4.602 -0.020 1.00 0.00 O ATOM 751 CB VAL A 51 -11.973 -5.752 -2.559 1.00 0.00 C ATOM 752 CG1 VAL A 51 -11.157 -5.386 -3.798 1.00 0.00 C ATOM 753 CG2 VAL A 51 -11.645 -7.187 -2.134 1.00 0.00 C ATOM 0 H VAL A 51 -9.658 -5.579 -1.677 1.00 0.00 H new ATOM 0 HA VAL A 51 -11.832 -3.763 -1.728 1.00 0.00 H new ATOM 0 HB VAL A 51 -13.036 -5.678 -2.788 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -11.402 -6.070 -4.610 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -11.392 -4.365 -4.100 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.094 -5.461 -3.569 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -11.893 -7.872 -2.945 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -10.582 -7.265 -1.905 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -12.227 -7.446 -1.249 1.00 0.00 H new ATOM 763 N SER A 52 -11.981 -5.964 0.679 1.00 0.00 N ATOM 764 CA SER A 52 -12.749 -6.333 1.903 1.00 0.00 C ATOM 765 C SER A 52 -12.605 -5.227 2.951 1.00 0.00 C ATOM 766 O SER A 52 -13.515 -4.960 3.713 1.00 0.00 O ATOM 767 CB SER A 52 -12.202 -7.644 2.469 1.00 0.00 C ATOM 768 OG SER A 52 -10.841 -7.462 2.841 1.00 0.00 O ATOM 0 H SER A 52 -11.073 -6.419 0.587 1.00 0.00 H new ATOM 0 HA SER A 52 -13.802 -6.456 1.648 1.00 0.00 H new ATOM 0 HB2 SER A 52 -12.789 -7.954 3.333 1.00 0.00 H new ATOM 0 HB3 SER A 52 -12.285 -8.437 1.726 1.00 0.00 H new ATOM 0 HG SER A 52 -10.282 -7.440 2.036 1.00 0.00 H new ATOM 774 N LEU A 53 -11.465 -4.586 2.992 1.00 0.00 N ATOM 775 CA LEU A 53 -11.248 -3.496 3.988 1.00 0.00 C ATOM 776 C LEU A 53 -12.206 -2.339 3.697 1.00 0.00 C ATOM 777 O LEU A 53 -12.717 -1.704 4.601 1.00 0.00 O ATOM 778 CB LEU A 53 -9.804 -2.998 3.890 1.00 0.00 C ATOM 779 CG LEU A 53 -8.862 -4.047 4.481 1.00 0.00 C ATOM 780 CD1 LEU A 53 -7.429 -3.765 4.025 1.00 0.00 C ATOM 781 CD2 LEU A 53 -8.931 -3.988 6.009 1.00 0.00 C ATOM 0 H LEU A 53 -10.673 -4.772 2.376 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.435 -3.878 4.991 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.544 -2.806 2.849 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.696 -2.054 4.425 1.00 0.00 H new ATOM 0 HG LEU A 53 -9.162 -5.038 4.139 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.759 -4.514 4.447 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -7.379 -3.805 2.937 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -7.127 -2.775 4.366 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -8.260 -4.735 6.433 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -8.631 -2.997 6.349 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -9.951 -4.190 6.335 1.00 0.00 H new ATOM 793 N GLY A 54 -12.451 -2.062 2.442 1.00 0.00 N ATOM 794 CA GLY A 54 -13.374 -0.947 2.080 1.00 0.00 C ATOM 795 C GLY A 54 -12.720 0.391 2.431 1.00 0.00 C ATOM 796 O GLY A 54 -13.307 1.222 3.098 1.00 0.00 O ATOM 0 H GLY A 54 -12.049 -2.563 1.650 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -13.605 -0.983 1.015 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -14.318 -1.054 2.615 1.00 0.00 H new ATOM 800 N ILE A 55 -11.508 0.604 1.982 1.00 0.00 N ATOM 801 CA ILE A 55 -10.807 1.882 2.281 1.00 0.00 C ATOM 802 C ILE A 55 -11.351 2.980 1.370 1.00 0.00 C ATOM 803 O ILE A 55 -11.615 2.759 0.204 1.00 0.00 O ATOM 804 CB ILE A 55 -9.303 1.723 2.039 1.00 0.00 C ATOM 805 CG1 ILE A 55 -8.791 0.482 2.778 1.00 0.00 C ATOM 806 CG2 ILE A 55 -8.571 2.962 2.559 1.00 0.00 C ATOM 807 CD1 ILE A 55 -7.321 0.244 2.426 1.00 0.00 C ATOM 0 H ILE A 55 -10.975 -0.058 1.419 1.00 0.00 H new ATOM 0 HA ILE A 55 -10.976 2.148 3.324 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.118 1.610 0.971 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -8.900 0.616 3.854 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -9.387 -0.389 2.503 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -7.500 2.851 2.388 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -8.933 3.846 2.033 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -8.758 3.073 3.627 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.959 -0.639 2.953 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.224 0.090 1.351 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.731 1.111 2.723 1.00 0.00 H new ATOM 819 N ALA A 56 -11.517 4.158 1.901 1.00 0.00 N ATOM 820 CA ALA A 56 -12.043 5.289 1.085 1.00 0.00 C ATOM 821 C ALA A 56 -11.195 6.536 1.339 1.00 0.00 C ATOM 822 O ALA A 56 -10.211 6.493 2.054 1.00 0.00 O ATOM 823 CB ALA A 56 -13.495 5.570 1.478 1.00 0.00 C ATOM 0 H ALA A 56 -11.310 4.389 2.873 1.00 0.00 H new ATOM 0 HA ALA A 56 -11.998 5.027 0.028 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -13.880 6.397 0.881 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -14.099 4.681 1.298 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -13.542 5.833 2.535 1.00 0.00 H new ATOM 829 N LYS A 57 -11.570 7.648 0.757 1.00 0.00 N ATOM 830 CA LYS A 57 -10.796 8.909 0.956 1.00 0.00 C ATOM 831 C LYS A 57 -10.762 9.269 2.444 1.00 0.00 C ATOM 832 O LYS A 57 -11.636 8.892 3.202 1.00 0.00 O ATOM 833 CB LYS A 57 -11.461 10.045 0.171 1.00 0.00 C ATOM 834 CG LYS A 57 -12.959 10.113 0.513 1.00 0.00 C ATOM 835 CD LYS A 57 -13.304 11.493 1.082 1.00 0.00 C ATOM 836 CE LYS A 57 -12.826 11.582 2.532 1.00 0.00 C ATOM 837 NZ LYS A 57 -13.531 12.700 3.218 1.00 0.00 N ATOM 0 H LYS A 57 -12.384 7.735 0.149 1.00 0.00 H new ATOM 0 HA LYS A 57 -9.776 8.765 0.598 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -10.981 10.994 0.411 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.331 9.884 -0.899 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -13.554 9.920 -0.380 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -13.211 9.338 1.237 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.832 12.273 0.484 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -14.380 11.660 1.032 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -13.021 10.643 3.049 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -11.749 11.744 2.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -13.207 12.762 4.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -13.323 13.594 2.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -14.556 12.526 3.201 1.00 0.00 H new ATOM 851 N GLY A 58 -9.755 9.992 2.863 1.00 0.00 N ATOM 852 CA GLY A 58 -9.650 10.380 4.301 1.00 0.00 C ATOM 853 C GLY A 58 -9.491 9.123 5.156 1.00 0.00 C ATOM 854 O GLY A 58 -10.226 8.912 6.104 1.00 0.00 O ATOM 0 H GLY A 58 -8.999 10.331 2.269 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.798 11.044 4.449 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -10.540 10.931 4.606 1.00 0.00 H new ATOM 858 N ALA A 59 -8.537 8.286 4.828 1.00 0.00 N ATOM 859 CA ALA A 59 -8.328 7.036 5.619 1.00 0.00 C ATOM 860 C ALA A 59 -6.873 6.960 6.094 1.00 0.00 C ATOM 861 O ALA A 59 -6.014 7.668 5.605 1.00 0.00 O ATOM 862 CB ALA A 59 -8.638 5.821 4.741 1.00 0.00 C ATOM 0 H ALA A 59 -7.895 8.416 4.046 1.00 0.00 H new ATOM 0 HA ALA A 59 -8.990 7.043 6.485 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -8.486 4.908 5.317 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -9.674 5.870 4.405 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -7.975 5.819 3.876 1.00 0.00 H new ATOM 868 N GLU A 60 -6.597 6.103 7.045 1.00 0.00 N ATOM 869 CA GLU A 60 -5.203 5.966 7.562 1.00 0.00 C ATOM 870 C GLU A 60 -4.789 4.492 7.528 1.00 0.00 C ATOM 871 O GLU A 60 -5.395 3.654 8.170 1.00 0.00 O ATOM 872 CB GLU A 60 -5.140 6.483 9.000 1.00 0.00 C ATOM 873 CG GLU A 60 -5.525 7.964 9.027 1.00 0.00 C ATOM 874 CD GLU A 60 -5.255 8.538 10.420 1.00 0.00 C ATOM 875 OE1 GLU A 60 -5.887 8.082 11.359 1.00 0.00 O ATOM 876 OE2 GLU A 60 -4.422 9.423 10.522 1.00 0.00 O ATOM 0 H GLU A 60 -7.282 5.490 7.487 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.524 6.547 6.938 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.816 5.909 9.634 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.136 6.350 9.402 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.953 8.513 8.279 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.578 8.081 8.772 1.00 0.00 H new ATOM 883 N ILE A 61 -3.759 4.172 6.788 1.00 0.00 N ATOM 884 CA ILE A 61 -3.296 2.750 6.706 1.00 0.00 C ATOM 885 C ILE A 61 -1.924 2.621 7.364 1.00 0.00 C ATOM 886 O ILE A 61 -1.331 3.593 7.792 1.00 0.00 O ATOM 887 CB ILE A 61 -3.185 2.274 5.240 1.00 0.00 C ATOM 888 CG1 ILE A 61 -2.741 3.437 4.314 1.00 0.00 C ATOM 889 CG2 ILE A 61 -4.524 1.680 4.777 1.00 0.00 C ATOM 890 CD1 ILE A 61 -3.916 4.363 3.963 1.00 0.00 C ATOM 0 H ILE A 61 -3.216 4.835 6.235 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.031 2.131 7.221 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.423 1.496 5.182 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.957 4.014 4.804 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.312 3.030 3.398 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.436 1.347 3.743 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -4.784 0.832 5.410 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.303 2.439 4.849 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.566 5.165 3.313 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.689 3.791 3.449 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.328 4.790 4.877 1.00 0.00 H new ATOM 902 N THR A 62 -1.417 1.419 7.432 1.00 0.00 N ATOM 903 CA THR A 62 -0.078 1.193 8.045 1.00 0.00 C ATOM 904 C THR A 62 0.665 0.141 7.219 1.00 0.00 C ATOM 905 O THR A 62 0.297 -1.017 7.201 1.00 0.00 O ATOM 906 CB THR A 62 -0.242 0.697 9.483 1.00 0.00 C ATOM 907 OG1 THR A 62 -1.146 1.548 10.176 1.00 0.00 O ATOM 908 CG2 THR A 62 1.115 0.711 10.189 1.00 0.00 C ATOM 0 H THR A 62 -1.878 0.578 7.086 1.00 0.00 H new ATOM 0 HA THR A 62 0.486 2.126 8.057 1.00 0.00 H new ATOM 0 HB THR A 62 -0.633 -0.320 9.473 1.00 0.00 H new ATOM 0 HG1 THR A 62 -1.253 1.231 11.097 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.996 0.357 11.213 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.808 0.058 9.658 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.509 1.727 10.200 1.00 0.00 H new ATOM 916 N ILE A 63 1.697 0.541 6.522 1.00 0.00 N ATOM 917 CA ILE A 63 2.455 -0.427 5.675 1.00 0.00 C ATOM 918 C ILE A 63 3.615 -1.028 6.473 1.00 0.00 C ATOM 919 O ILE A 63 4.216 -0.376 7.302 1.00 0.00 O ATOM 920 CB ILE A 63 3.002 0.305 4.446 1.00 0.00 C ATOM 921 CG1 ILE A 63 1.840 0.950 3.687 1.00 0.00 C ATOM 922 CG2 ILE A 63 3.722 -0.684 3.526 1.00 0.00 C ATOM 923 CD1 ILE A 63 2.390 1.927 2.645 1.00 0.00 C ATOM 0 H ILE A 63 2.048 1.499 6.503 1.00 0.00 H new ATOM 0 HA ILE A 63 1.789 -1.231 5.361 1.00 0.00 H new ATOM 0 HB ILE A 63 3.707 1.072 4.767 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.239 0.182 3.200 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.184 1.474 4.382 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.108 -0.155 2.654 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.549 -1.147 4.065 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.023 -1.455 3.202 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.562 2.386 2.104 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.972 2.702 3.144 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.028 1.390 1.943 1.00 0.00 H new ATOM 935 N SER A 64 3.932 -2.270 6.212 1.00 0.00 N ATOM 936 CA SER A 64 5.055 -2.934 6.935 1.00 0.00 C ATOM 937 C SER A 64 5.763 -3.897 5.979 1.00 0.00 C ATOM 938 O SER A 64 5.130 -4.693 5.310 1.00 0.00 O ATOM 939 CB SER A 64 4.508 -3.711 8.132 1.00 0.00 C ATOM 940 OG SER A 64 3.457 -4.565 7.698 1.00 0.00 O ATOM 0 H SER A 64 3.457 -2.855 5.525 1.00 0.00 H new ATOM 0 HA SER A 64 5.759 -2.182 7.289 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.302 -4.298 8.593 1.00 0.00 H new ATOM 0 HB3 SER A 64 4.141 -3.020 8.891 1.00 0.00 H new ATOM 0 HG SER A 64 3.624 -4.846 6.774 1.00 0.00 H new ATOM 946 N ALA A 65 7.068 -3.825 5.903 1.00 0.00 N ATOM 947 CA ALA A 65 7.820 -4.729 4.982 1.00 0.00 C ATOM 948 C ALA A 65 8.675 -5.704 5.796 1.00 0.00 C ATOM 949 O ALA A 65 9.234 -5.350 6.817 1.00 0.00 O ATOM 950 CB ALA A 65 8.723 -3.892 4.074 1.00 0.00 C ATOM 0 H ALA A 65 7.645 -3.178 6.440 1.00 0.00 H new ATOM 0 HA ALA A 65 7.113 -5.294 4.374 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.273 -4.550 3.401 1.00 0.00 H new ATOM 0 HB2 ALA A 65 8.113 -3.203 3.490 1.00 0.00 H new ATOM 0 HB3 ALA A 65 9.427 -3.326 4.683 1.00 0.00 H new ATOM 956 N SER A 66 8.777 -6.928 5.345 1.00 0.00 N ATOM 957 CA SER A 66 9.593 -7.940 6.077 1.00 0.00 C ATOM 958 C SER A 66 10.165 -8.950 5.079 1.00 0.00 C ATOM 959 O SER A 66 9.449 -9.776 4.543 1.00 0.00 O ATOM 960 CB SER A 66 8.711 -8.672 7.090 1.00 0.00 C ATOM 961 OG SER A 66 8.530 -7.850 8.236 1.00 0.00 O ATOM 0 H SER A 66 8.327 -7.271 4.496 1.00 0.00 H new ATOM 0 HA SER A 66 10.408 -7.440 6.599 1.00 0.00 H new ATOM 0 HB2 SER A 66 7.746 -8.911 6.643 1.00 0.00 H new ATOM 0 HB3 SER A 66 9.173 -9.617 7.375 1.00 0.00 H new ATOM 0 HG SER A 66 8.810 -6.934 8.029 1.00 0.00 H new ATOM 967 N GLY A 67 11.448 -8.889 4.830 1.00 0.00 N ATOM 968 CA GLY A 67 12.074 -9.844 3.867 1.00 0.00 C ATOM 969 C GLY A 67 13.534 -9.453 3.635 1.00 0.00 C ATOM 970 O GLY A 67 14.232 -9.055 4.549 1.00 0.00 O ATOM 0 H GLY A 67 12.090 -8.218 5.253 1.00 0.00 H new ATOM 0 HA2 GLY A 67 12.016 -10.860 4.257 1.00 0.00 H new ATOM 0 HA3 GLY A 67 11.530 -9.834 2.923 1.00 0.00 H new ATOM 974 N ALA A 68 14.001 -9.565 2.416 1.00 0.00 N ATOM 975 CA ALA A 68 15.418 -9.203 2.113 1.00 0.00 C ATOM 976 C ALA A 68 15.521 -7.692 1.893 1.00 0.00 C ATOM 977 O ALA A 68 16.151 -6.987 2.659 1.00 0.00 O ATOM 978 CB ALA A 68 15.871 -9.937 0.850 1.00 0.00 C ATOM 0 H ALA A 68 13.459 -9.893 1.616 1.00 0.00 H new ATOM 0 HA ALA A 68 16.056 -9.492 2.948 1.00 0.00 H new ATOM 0 HB1 ALA A 68 16.905 -9.674 0.627 1.00 0.00 H new ATOM 0 HB2 ALA A 68 15.796 -11.013 1.008 1.00 0.00 H new ATOM 0 HB3 ALA A 68 15.235 -9.648 0.013 1.00 0.00 H new ATOM 984 N ASP A 69 14.903 -7.193 0.852 1.00 0.00 N ATOM 985 CA ASP A 69 14.957 -5.726 0.577 1.00 0.00 C ATOM 986 C ASP A 69 13.710 -5.056 1.161 1.00 0.00 C ATOM 987 O ASP A 69 13.070 -4.240 0.521 1.00 0.00 O ATOM 988 CB ASP A 69 15.017 -5.481 -0.937 1.00 0.00 C ATOM 989 CG ASP A 69 13.900 -6.259 -1.641 1.00 0.00 C ATOM 990 OD1 ASP A 69 12.858 -6.445 -1.035 1.00 0.00 O ATOM 991 OD2 ASP A 69 14.108 -6.655 -2.776 1.00 0.00 O ATOM 0 H ASP A 69 14.363 -7.739 0.181 1.00 0.00 H new ATOM 0 HA ASP A 69 15.849 -5.303 1.040 1.00 0.00 H new ATOM 0 HB2 ASP A 69 14.916 -4.416 -1.145 1.00 0.00 H new ATOM 0 HB3 ASP A 69 15.987 -5.791 -1.325 1.00 0.00 H new ATOM 996 N GLU A 70 13.361 -5.400 2.374 1.00 0.00 N ATOM 997 CA GLU A 70 12.156 -4.797 3.017 1.00 0.00 C ATOM 998 C GLU A 70 12.340 -3.281 3.139 1.00 0.00 C ATOM 999 O GLU A 70 11.386 -2.528 3.102 1.00 0.00 O ATOM 1000 CB GLU A 70 11.961 -5.406 4.409 1.00 0.00 C ATOM 1001 CG GLU A 70 13.231 -5.210 5.243 1.00 0.00 C ATOM 1002 CD GLU A 70 12.963 -5.637 6.687 1.00 0.00 C ATOM 1003 OE1 GLU A 70 12.762 -6.820 6.906 1.00 0.00 O ATOM 1004 OE2 GLU A 70 12.966 -4.775 7.550 1.00 0.00 O ATOM 0 H GLU A 70 13.862 -6.077 2.950 1.00 0.00 H new ATOM 0 HA GLU A 70 11.278 -5.003 2.405 1.00 0.00 H new ATOM 0 HB2 GLU A 70 11.112 -4.936 4.906 1.00 0.00 H new ATOM 0 HB3 GLU A 70 11.732 -6.468 4.323 1.00 0.00 H new ATOM 0 HG2 GLU A 70 14.048 -5.797 4.824 1.00 0.00 H new ATOM 0 HG3 GLU A 70 13.541 -4.166 5.213 1.00 0.00 H new ATOM 1011 N ASN A 71 13.562 -2.834 3.283 1.00 0.00 N ATOM 1012 CA ASN A 71 13.819 -1.369 3.409 1.00 0.00 C ATOM 1013 C ASN A 71 13.552 -0.682 2.069 1.00 0.00 C ATOM 1014 O ASN A 71 12.915 0.351 2.012 1.00 0.00 O ATOM 1015 CB ASN A 71 15.278 -1.140 3.815 1.00 0.00 C ATOM 1016 CG ASN A 71 15.383 -1.102 5.340 1.00 0.00 C ATOM 1017 OD1 ASN A 71 16.092 -1.892 5.932 1.00 0.00 O ATOM 1018 ND2 ASN A 71 14.703 -0.208 6.005 1.00 0.00 N ATOM 0 H ASN A 71 14.394 -3.423 3.319 1.00 0.00 H new ATOM 0 HA ASN A 71 13.158 -0.951 4.168 1.00 0.00 H new ATOM 0 HB2 ASN A 71 15.907 -1.936 3.416 1.00 0.00 H new ATOM 0 HB3 ASN A 71 15.642 -0.204 3.391 1.00 0.00 H new ATOM 0 HD21 ASN A 71 14.766 -0.172 7.022 1.00 0.00 H new ATOM 0 HD22 ASN A 71 14.108 0.455 5.507 1.00 0.00 H new ATOM 1025 N ASP A 72 14.038 -1.246 0.994 1.00 0.00 N ATOM 1026 CA ASP A 72 13.820 -0.627 -0.347 1.00 0.00 C ATOM 1027 C ASP A 72 12.353 -0.773 -0.772 1.00 0.00 C ATOM 1028 O ASP A 72 11.889 -0.069 -1.648 1.00 0.00 O ATOM 1029 CB ASP A 72 14.716 -1.322 -1.376 1.00 0.00 C ATOM 1030 CG ASP A 72 16.167 -1.294 -0.893 1.00 0.00 C ATOM 1031 OD1 ASP A 72 16.686 -0.208 -0.700 1.00 0.00 O ATOM 1032 OD2 ASP A 72 16.735 -2.361 -0.726 1.00 0.00 O ATOM 0 H ASP A 72 14.578 -2.111 0.987 1.00 0.00 H new ATOM 0 HA ASP A 72 14.067 0.433 -0.291 1.00 0.00 H new ATOM 0 HB2 ASP A 72 14.390 -2.352 -1.521 1.00 0.00 H new ATOM 0 HB3 ASP A 72 14.634 -0.823 -2.341 1.00 0.00 H new ATOM 1037 N ALA A 73 11.622 -1.683 -0.174 1.00 0.00 N ATOM 1038 CA ALA A 73 10.191 -1.875 -0.561 1.00 0.00 C ATOM 1039 C ALA A 73 9.302 -0.824 0.115 1.00 0.00 C ATOM 1040 O ALA A 73 8.431 -0.250 -0.511 1.00 0.00 O ATOM 1041 CB ALA A 73 9.734 -3.270 -0.131 1.00 0.00 C ATOM 0 H ALA A 73 11.956 -2.301 0.566 1.00 0.00 H new ATOM 0 HA ALA A 73 10.104 -1.767 -1.642 1.00 0.00 H new ATOM 0 HB1 ALA A 73 8.691 -3.414 -0.412 1.00 0.00 H new ATOM 0 HB2 ALA A 73 10.349 -4.023 -0.624 1.00 0.00 H new ATOM 0 HB3 ALA A 73 9.836 -3.369 0.950 1.00 0.00 H new ATOM 1047 N LEU A 74 9.495 -0.585 1.389 1.00 0.00 N ATOM 1048 CA LEU A 74 8.638 0.410 2.107 1.00 0.00 C ATOM 1049 C LEU A 74 8.928 1.834 1.618 1.00 0.00 C ATOM 1050 O LEU A 74 8.022 2.635 1.475 1.00 0.00 O ATOM 1051 CB LEU A 74 8.887 0.322 3.617 1.00 0.00 C ATOM 1052 CG LEU A 74 10.363 0.591 3.928 1.00 0.00 C ATOM 1053 CD1 LEU A 74 10.577 2.089 4.195 1.00 0.00 C ATOM 1054 CD2 LEU A 74 10.770 -0.219 5.164 1.00 0.00 C ATOM 0 H LEU A 74 10.208 -1.035 1.963 1.00 0.00 H new ATOM 0 HA LEU A 74 7.594 0.177 1.896 1.00 0.00 H new ATOM 0 HB2 LEU A 74 8.260 1.045 4.139 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.605 -0.666 3.982 1.00 0.00 H new ATOM 0 HG LEU A 74 10.975 0.294 3.076 1.00 0.00 H new ATOM 0 HD11 LEU A 74 11.629 2.273 4.415 1.00 0.00 H new ATOM 0 HD12 LEU A 74 10.286 2.661 3.314 1.00 0.00 H new ATOM 0 HD13 LEU A 74 9.969 2.398 5.045 1.00 0.00 H new ATOM 0 HD21 LEU A 74 11.820 -0.033 5.392 1.00 0.00 H new ATOM 0 HD22 LEU A 74 10.156 0.080 6.013 1.00 0.00 H new ATOM 0 HD23 LEU A 74 10.624 -1.281 4.967 1.00 0.00 H new ATOM 1066 N ASN A 75 10.172 2.163 1.368 1.00 0.00 N ATOM 1067 CA ASN A 75 10.495 3.549 0.898 1.00 0.00 C ATOM 1068 C ASN A 75 10.202 3.684 -0.600 1.00 0.00 C ATOM 1069 O ASN A 75 9.939 4.766 -1.089 1.00 0.00 O ATOM 1070 CB ASN A 75 11.967 3.877 1.164 1.00 0.00 C ATOM 1071 CG ASN A 75 12.873 2.746 0.678 1.00 0.00 C ATOM 1072 OD1 ASN A 75 12.537 2.031 -0.243 1.00 0.00 O ATOM 1073 ND2 ASN A 75 14.026 2.559 1.263 1.00 0.00 N ATOM 0 H ASN A 75 10.972 1.539 1.468 1.00 0.00 H new ATOM 0 HA ASN A 75 9.870 4.251 1.451 1.00 0.00 H new ATOM 0 HB2 ASN A 75 12.234 4.805 0.659 1.00 0.00 H new ATOM 0 HB3 ASN A 75 12.121 4.039 2.231 1.00 0.00 H new ATOM 0 HD21 ASN A 75 14.644 1.812 0.946 1.00 0.00 H new ATOM 0 HD22 ASN A 75 14.309 3.160 2.037 1.00 0.00 H new ATOM 1080 N ALA A 76 10.243 2.598 -1.327 1.00 0.00 N ATOM 1081 CA ALA A 76 9.965 2.662 -2.794 1.00 0.00 C ATOM 1082 C ALA A 76 8.462 2.826 -3.019 1.00 0.00 C ATOM 1083 O ALA A 76 8.030 3.458 -3.966 1.00 0.00 O ATOM 1084 CB ALA A 76 10.440 1.372 -3.463 1.00 0.00 C ATOM 0 H ALA A 76 10.457 1.668 -0.968 1.00 0.00 H new ATOM 0 HA ALA A 76 10.495 3.511 -3.226 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.236 1.421 -4.533 1.00 0.00 H new ATOM 0 HB2 ALA A 76 11.511 1.252 -3.303 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.911 0.522 -3.031 1.00 0.00 H new ATOM 1090 N LEU A 77 7.663 2.269 -2.145 1.00 0.00 N ATOM 1091 CA LEU A 77 6.184 2.394 -2.288 1.00 0.00 C ATOM 1092 C LEU A 77 5.747 3.766 -1.772 1.00 0.00 C ATOM 1093 O LEU A 77 4.748 4.310 -2.199 1.00 0.00 O ATOM 1094 CB LEU A 77 5.494 1.297 -1.473 1.00 0.00 C ATOM 1095 CG LEU A 77 5.490 -0.006 -2.274 1.00 0.00 C ATOM 1096 CD1 LEU A 77 5.509 -1.197 -1.313 1.00 0.00 C ATOM 1097 CD2 LEU A 77 4.228 -0.069 -3.138 1.00 0.00 C ATOM 0 H LEU A 77 7.974 1.731 -1.336 1.00 0.00 H new ATOM 0 HA LEU A 77 5.907 2.289 -3.337 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.013 1.152 -0.525 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.472 1.594 -1.235 1.00 0.00 H new ATOM 0 HG LEU A 77 6.372 -0.041 -2.914 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.506 -2.125 -1.884 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.407 -1.153 -0.697 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.627 -1.162 -0.673 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.224 -0.997 -3.709 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.347 -0.033 -2.498 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.213 0.779 -3.823 1.00 0.00 H new ATOM 1109 N GLU A 78 6.496 4.326 -0.856 1.00 0.00 N ATOM 1110 CA GLU A 78 6.149 5.663 -0.301 1.00 0.00 C ATOM 1111 C GLU A 78 6.297 6.719 -1.402 1.00 0.00 C ATOM 1112 O GLU A 78 5.409 7.517 -1.632 1.00 0.00 O ATOM 1113 CB GLU A 78 7.105 5.971 0.861 1.00 0.00 C ATOM 1114 CG GLU A 78 6.825 7.367 1.429 1.00 0.00 C ATOM 1115 CD GLU A 78 7.285 7.426 2.886 1.00 0.00 C ATOM 1116 OE1 GLU A 78 8.290 6.807 3.194 1.00 0.00 O ATOM 1117 OE2 GLU A 78 6.626 8.090 3.668 1.00 0.00 O ATOM 0 H GLU A 78 7.341 3.907 -0.467 1.00 0.00 H new ATOM 0 HA GLU A 78 5.121 5.672 0.060 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.988 5.223 1.645 1.00 0.00 H new ATOM 0 HB3 GLU A 78 8.137 5.912 0.516 1.00 0.00 H new ATOM 0 HG2 GLU A 78 7.347 8.122 0.841 1.00 0.00 H new ATOM 0 HG3 GLU A 78 5.760 7.591 1.363 1.00 0.00 H new ATOM 1124 N GLU A 79 7.419 6.729 -2.077 1.00 0.00 N ATOM 1125 CA GLU A 79 7.641 7.733 -3.160 1.00 0.00 C ATOM 1126 C GLU A 79 6.600 7.545 -4.269 1.00 0.00 C ATOM 1127 O GLU A 79 6.125 8.500 -4.851 1.00 0.00 O ATOM 1128 CB GLU A 79 9.050 7.560 -3.742 1.00 0.00 C ATOM 1129 CG GLU A 79 9.230 6.130 -4.263 1.00 0.00 C ATOM 1130 CD GLU A 79 10.643 5.966 -4.826 1.00 0.00 C ATOM 1131 OE1 GLU A 79 11.585 6.241 -4.099 1.00 0.00 O ATOM 1132 OE2 GLU A 79 10.760 5.569 -5.973 1.00 0.00 O ATOM 0 H GLU A 79 8.193 6.082 -1.923 1.00 0.00 H new ATOM 0 HA GLU A 79 7.541 8.735 -2.743 1.00 0.00 H new ATOM 0 HB2 GLU A 79 9.208 8.273 -4.551 1.00 0.00 H new ATOM 0 HB3 GLU A 79 9.797 7.774 -2.978 1.00 0.00 H new ATOM 0 HG2 GLU A 79 9.063 5.415 -3.458 1.00 0.00 H new ATOM 0 HG3 GLU A 79 8.492 5.918 -5.037 1.00 0.00 H new ATOM 1139 N THR A 80 6.249 6.319 -4.564 1.00 0.00 N ATOM 1140 CA THR A 80 5.244 6.061 -5.637 1.00 0.00 C ATOM 1141 C THR A 80 3.853 6.498 -5.168 1.00 0.00 C ATOM 1142 O THR A 80 2.996 6.829 -5.967 1.00 0.00 O ATOM 1143 CB THR A 80 5.218 4.565 -5.959 1.00 0.00 C ATOM 1144 OG1 THR A 80 6.544 4.107 -6.184 1.00 0.00 O ATOM 1145 CG2 THR A 80 4.372 4.323 -7.209 1.00 0.00 C ATOM 0 H THR A 80 6.616 5.485 -4.107 1.00 0.00 H new ATOM 0 HA THR A 80 5.519 6.628 -6.526 1.00 0.00 H new ATOM 0 HB THR A 80 4.783 4.021 -5.120 1.00 0.00 H new ATOM 0 HG1 THR A 80 6.939 3.819 -5.335 1.00 0.00 H new ATOM 0 HG21 THR A 80 4.355 3.257 -7.436 1.00 0.00 H new ATOM 0 HG22 THR A 80 3.355 4.673 -7.033 1.00 0.00 H new ATOM 0 HG23 THR A 80 4.802 4.866 -8.050 1.00 0.00 H new ATOM 1153 N MET A 81 3.620 6.494 -3.880 1.00 0.00 N ATOM 1154 CA MET A 81 2.286 6.898 -3.350 1.00 0.00 C ATOM 1155 C MET A 81 2.071 8.400 -3.552 1.00 0.00 C ATOM 1156 O MET A 81 1.015 8.828 -3.976 1.00 0.00 O ATOM 1157 CB MET A 81 2.217 6.570 -1.857 1.00 0.00 C ATOM 1158 CG MET A 81 0.794 6.143 -1.492 1.00 0.00 C ATOM 1159 SD MET A 81 0.617 4.360 -1.743 1.00 0.00 S ATOM 1160 CE MET A 81 0.874 3.863 -0.022 1.00 0.00 C ATOM 0 H MET A 81 4.302 6.226 -3.170 1.00 0.00 H new ATOM 0 HA MET A 81 1.508 6.354 -3.886 1.00 0.00 H new ATOM 0 HB2 MET A 81 2.920 5.773 -1.616 1.00 0.00 H new ATOM 0 HB3 MET A 81 2.509 7.440 -1.269 1.00 0.00 H new ATOM 0 HG2 MET A 81 0.581 6.398 -0.454 1.00 0.00 H new ATOM 0 HG3 MET A 81 0.072 6.681 -2.107 1.00 0.00 H new ATOM 0 HE1 MET A 81 0.788 2.780 0.060 1.00 0.00 H new ATOM 0 HE2 MET A 81 1.867 4.174 0.302 1.00 0.00 H new ATOM 0 HE3 MET A 81 0.122 4.335 0.609 1.00 0.00 H new ATOM 1170 N LYS A 82 3.059 9.200 -3.242 1.00 0.00 N ATOM 1171 CA LYS A 82 2.910 10.678 -3.406 1.00 0.00 C ATOM 1172 C LYS A 82 3.049 11.062 -4.883 1.00 0.00 C ATOM 1173 O LYS A 82 2.558 12.089 -5.309 1.00 0.00 O ATOM 1174 CB LYS A 82 3.988 11.391 -2.587 1.00 0.00 C ATOM 1175 CG LYS A 82 3.729 11.162 -1.096 1.00 0.00 C ATOM 1176 CD LYS A 82 4.484 12.211 -0.271 1.00 0.00 C ATOM 1177 CE LYS A 82 5.760 11.593 0.308 1.00 0.00 C ATOM 1178 NZ LYS A 82 6.781 11.464 -0.768 1.00 0.00 N ATOM 0 H LYS A 82 3.963 8.894 -2.882 1.00 0.00 H new ATOM 0 HA LYS A 82 1.923 10.978 -3.054 1.00 0.00 H new ATOM 0 HB2 LYS A 82 4.974 11.015 -2.858 1.00 0.00 H new ATOM 0 HB3 LYS A 82 3.982 12.458 -2.809 1.00 0.00 H new ATOM 0 HG2 LYS A 82 2.661 11.224 -0.889 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.052 10.161 -0.811 1.00 0.00 H new ATOM 0 HD2 LYS A 82 4.735 13.068 -0.896 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.849 12.580 0.535 1.00 0.00 H new ATOM 0 HE2 LYS A 82 6.144 12.216 1.116 1.00 0.00 H new ATOM 0 HE3 LYS A 82 5.541 10.615 0.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 7.716 11.306 -0.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 6.540 10.659 -1.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 6.801 12.336 -1.334 1.00 0.00 H new ATOM 1192 N SER A 83 3.717 10.250 -5.665 1.00 0.00 N ATOM 1193 CA SER A 83 3.892 10.570 -7.114 1.00 0.00 C ATOM 1194 C SER A 83 2.524 10.641 -7.799 1.00 0.00 C ATOM 1195 O SER A 83 2.254 11.543 -8.570 1.00 0.00 O ATOM 1196 CB SER A 83 4.733 9.478 -7.775 1.00 0.00 C ATOM 1197 OG SER A 83 4.016 8.250 -7.741 1.00 0.00 O ATOM 0 H SER A 83 4.149 9.378 -5.361 1.00 0.00 H new ATOM 0 HA SER A 83 4.394 11.532 -7.212 1.00 0.00 H new ATOM 0 HB2 SER A 83 4.961 9.751 -8.805 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.685 9.371 -7.256 1.00 0.00 H new ATOM 0 HG SER A 83 3.558 8.162 -6.879 1.00 0.00 H new ATOM 1203 N GLU A 84 1.664 9.691 -7.527 1.00 0.00 N ATOM 1204 CA GLU A 84 0.314 9.691 -8.164 1.00 0.00 C ATOM 1205 C GLU A 84 -0.653 10.543 -7.338 1.00 0.00 C ATOM 1206 O GLU A 84 -1.585 11.121 -7.864 1.00 0.00 O ATOM 1207 CB GLU A 84 -0.211 8.255 -8.238 1.00 0.00 C ATOM 1208 CG GLU A 84 0.232 7.617 -9.557 1.00 0.00 C ATOM 1209 CD GLU A 84 -0.649 6.404 -9.859 1.00 0.00 C ATOM 1210 OE1 GLU A 84 -1.858 6.536 -9.768 1.00 0.00 O ATOM 1211 OE2 GLU A 84 -0.098 5.361 -10.176 1.00 0.00 O ATOM 0 H GLU A 84 1.841 8.914 -6.890 1.00 0.00 H new ATOM 0 HA GLU A 84 0.391 10.108 -9.168 1.00 0.00 H new ATOM 0 HB2 GLU A 84 0.167 7.675 -7.396 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -1.299 8.250 -8.166 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.159 8.343 -10.367 1.00 0.00 H new ATOM 0 HG3 GLU A 84 1.277 7.314 -9.494 1.00 0.00 H new ATOM 1218 N GLY A 85 -0.437 10.624 -6.049 1.00 0.00 N ATOM 1219 CA GLY A 85 -1.339 11.436 -5.183 1.00 0.00 C ATOM 1220 C GLY A 85 -2.389 10.526 -4.541 1.00 0.00 C ATOM 1221 O GLY A 85 -3.498 10.944 -4.265 1.00 0.00 O ATOM 0 H GLY A 85 0.328 10.160 -5.560 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.760 11.942 -4.410 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -1.827 12.211 -5.774 1.00 0.00 H new ATOM 1225 N LEU A 86 -2.044 9.286 -4.301 1.00 0.00 N ATOM 1226 CA LEU A 86 -3.014 8.340 -3.675 1.00 0.00 C ATOM 1227 C LEU A 86 -3.018 8.545 -2.158 1.00 0.00 C ATOM 1228 O LEU A 86 -4.038 8.413 -1.509 1.00 0.00 O ATOM 1229 CB LEU A 86 -2.598 6.901 -3.989 1.00 0.00 C ATOM 1230 CG LEU A 86 -2.791 6.624 -5.482 1.00 0.00 C ATOM 1231 CD1 LEU A 86 -2.167 5.273 -5.835 1.00 0.00 C ATOM 1232 CD2 LEU A 86 -4.286 6.592 -5.806 1.00 0.00 C ATOM 0 H LEU A 86 -1.129 8.888 -4.513 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.011 8.527 -4.073 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.556 6.745 -3.712 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.193 6.203 -3.400 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.309 7.411 -6.062 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.304 5.075 -6.898 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.102 5.293 -5.604 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -2.649 4.487 -5.255 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.424 6.395 -6.869 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.767 5.805 -5.226 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.733 7.554 -5.554 1.00 0.00 H new ATOM 1244 N GLY A 87 -1.882 8.865 -1.593 1.00 0.00 N ATOM 1245 CA GLY A 87 -1.807 9.081 -0.118 1.00 0.00 C ATOM 1246 C GLY A 87 -0.446 9.680 0.242 1.00 0.00 C ATOM 1247 O GLY A 87 0.351 9.992 -0.623 1.00 0.00 O ATOM 0 H GLY A 87 -1.001 8.986 -2.092 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -2.606 9.749 0.204 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -1.950 8.136 0.406 1.00 0.00 H new ATOM 1251 N GLU A 88 -0.176 9.841 1.513 1.00 0.00 N ATOM 1252 CA GLU A 88 1.132 10.420 1.939 1.00 0.00 C ATOM 1253 C GLU A 88 1.437 9.996 3.378 1.00 0.00 C ATOM 1254 O GLU A 88 2.592 9.727 3.664 1.00 0.00 O ATOM 1255 CB GLU A 88 1.068 11.948 1.856 1.00 0.00 C ATOM 1256 CG GLU A 88 -0.106 12.464 2.696 1.00 0.00 C ATOM 1257 CD GLU A 88 0.402 12.899 4.073 1.00 0.00 C ATOM 1258 OE1 GLU A 88 1.375 13.765 4.152 1.00 0.00 O ATOM 1259 OE2 GLU A 88 -0.094 12.448 5.086 1.00 0.00 O ATOM 1260 OXT GLU A 88 0.510 9.950 4.170 1.00 0.00 O ATOM 0 H GLU A 88 -0.808 9.595 2.275 1.00 0.00 H new ATOM 0 HA GLU A 88 1.920 10.055 1.281 1.00 0.00 H new ATOM 0 HB2 GLU A 88 2.002 12.380 2.215 1.00 0.00 H new ATOM 0 HB3 GLU A 88 0.950 12.261 0.818 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -0.586 13.303 2.192 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -0.860 11.684 2.805 1.00 0.00 H new