USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 630 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 22 THR OG1 : rot 171:sc= 0.64 USER MOD Set 1.2: A 25 ASN :FLIP amide:sc= 0.632 F(o=0.37,f=1.3) USER MOD Set 2.1: A 1 MET CE :methyl -108:sc= -4.34 (180deg=-10.8!) USER MOD Set 2.2: A 12 THR OG1 : rot 180:sc= -0.656 USER MOD Single : A 1 MET N :NH3+ -117:sc= 0.0471 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.281 X(o=-0.28,f=-0.41) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0441 USER MOD Single : A 9 THR OG1 : rot -60:sc= 0.566 USER MOD Single : A 11 LYS NZ :NH3+ -154:sc= -0.741 (180deg=-2.7) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 66:sc= 0.399 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ -159:sc= -0.444 (180deg=-0.682) USER MOD Single : A 40 GLN : amide:sc= 0.201 K(o=0.2,f=-1.7!) USER MOD Single : A 41 GLN : amide:sc= -4.2! C(o=-4.2!,f=-11!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.882 K(o=-0.88,f=-1.7!) USER MOD Single : A 55 THR OG1 : rot 172:sc= -0.223 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -149:sc= 0.00255 USER MOD Single : A 60 ASN : amide:sc= -0.0714 X(o=-0.071,f=-0.095) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 70:sc= 0.888 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.046) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.738 7.784 3.729 1.00 0.00 N ATOM 2 CA MET A 1 -14.530 6.933 3.561 1.00 0.00 C ATOM 3 C MET A 1 -14.872 5.452 3.712 1.00 0.00 C ATOM 4 O MET A 1 -15.879 5.100 4.326 1.00 0.00 O ATOM 5 CB MET A 1 -13.493 7.346 4.608 1.00 0.00 C ATOM 6 CG MET A 1 -12.073 6.939 4.250 1.00 0.00 C ATOM 7 SD MET A 1 -10.837 8.064 4.927 1.00 0.00 S ATOM 8 CE MET A 1 -9.367 7.045 4.841 1.00 0.00 C ATOM 0 H1 MET A 1 -15.928 8.295 2.844 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.555 7.185 3.965 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.577 8.468 4.496 1.00 0.00 H new ATOM 0 HA MET A 1 -14.128 7.076 2.558 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.530 8.428 4.738 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.759 6.901 5.567 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.884 5.932 4.620 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.972 6.904 3.165 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.080 6.735 5.846 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.571 6.163 4.233 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.554 7.616 4.391 1.00 0.00 H new ATOM 20 N GLN A 2 -14.028 4.587 3.151 1.00 0.00 N ATOM 21 CA GLN A 2 -14.249 3.147 3.229 1.00 0.00 C ATOM 22 C GLN A 2 -13.481 2.539 4.403 1.00 0.00 C ATOM 23 O GLN A 2 -14.033 1.752 5.172 1.00 0.00 O ATOM 24 CB GLN A 2 -13.828 2.470 1.923 1.00 0.00 C ATOM 25 CG GLN A 2 -14.834 2.643 0.797 1.00 0.00 C ATOM 26 CD GLN A 2 -16.214 2.130 1.163 1.00 0.00 C ATOM 27 OE1 GLN A 2 -16.351 1.065 1.765 1.00 0.00 O ATOM 28 NE2 GLN A 2 -17.250 2.884 0.802 1.00 0.00 N ATOM 0 H GLN A 2 -13.188 4.859 2.640 1.00 0.00 H new ATOM 0 HA GLN A 2 -15.314 2.979 3.389 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -12.867 2.876 1.606 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -13.680 1.406 2.106 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -14.901 3.699 0.534 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -14.477 2.116 -0.088 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -17.094 3.760 0.304 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -18.200 2.585 1.023 1.00 0.00 H new ATOM 37 N ILE A 3 -12.209 2.909 4.537 1.00 0.00 N ATOM 38 CA ILE A 3 -11.377 2.393 5.621 1.00 0.00 C ATOM 39 C ILE A 3 -10.372 3.447 6.094 1.00 0.00 C ATOM 40 O ILE A 3 -10.393 4.585 5.623 1.00 0.00 O ATOM 41 CB ILE A 3 -10.626 1.110 5.195 1.00 0.00 C ATOM 42 CG1 ILE A 3 -9.518 1.429 4.184 1.00 0.00 C ATOM 43 CG2 ILE A 3 -11.602 0.100 4.612 1.00 0.00 C ATOM 44 CD1 ILE A 3 -10.032 1.933 2.854 1.00 0.00 C ATOM 0 H ILE A 3 -11.734 3.561 3.912 1.00 0.00 H new ATOM 0 HA ILE A 3 -12.044 2.146 6.447 1.00 0.00 H new ATOM 0 HB ILE A 3 -10.159 0.679 6.080 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -8.852 2.178 4.613 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -8.923 0.532 4.016 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -11.062 -0.799 4.316 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -12.351 -0.157 5.361 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -12.094 0.531 3.740 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -9.190 2.137 2.192 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -10.674 1.177 2.402 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -10.603 2.849 3.008 1.00 0.00 H new ATOM 56 N PHE A 4 -9.495 3.068 7.023 1.00 0.00 N ATOM 57 CA PHE A 4 -8.494 3.992 7.545 1.00 0.00 C ATOM 58 C PHE A 4 -7.084 3.485 7.250 1.00 0.00 C ATOM 59 O PHE A 4 -6.565 2.621 7.956 1.00 0.00 O ATOM 60 CB PHE A 4 -8.677 4.176 9.052 1.00 0.00 C ATOM 61 CG PHE A 4 -9.913 4.948 9.418 1.00 0.00 C ATOM 62 CD1 PHE A 4 -11.153 4.330 9.434 1.00 0.00 C ATOM 63 CD2 PHE A 4 -9.833 6.292 9.746 1.00 0.00 C ATOM 64 CE1 PHE A 4 -12.291 5.038 9.770 1.00 0.00 C ATOM 65 CE2 PHE A 4 -10.967 7.005 10.084 1.00 0.00 C ATOM 66 CZ PHE A 4 -12.198 6.378 10.095 1.00 0.00 C ATOM 0 H PHE A 4 -9.459 2.132 7.427 1.00 0.00 H new ATOM 0 HA PHE A 4 -8.628 4.954 7.050 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -8.717 3.196 9.527 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -7.805 4.690 9.455 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -11.231 3.283 9.181 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -8.873 6.788 9.737 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -13.252 4.545 9.779 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -10.891 8.052 10.339 1.00 0.00 H new ATOM 0 HZ PHE A 4 -13.086 6.934 10.357 1.00 0.00 H new ATOM 76 N VAL A 5 -6.468 4.026 6.198 1.00 0.00 N ATOM 77 CA VAL A 5 -5.121 3.622 5.811 1.00 0.00 C ATOM 78 C VAL A 5 -4.146 4.794 5.926 1.00 0.00 C ATOM 79 O VAL A 5 -4.334 5.830 5.289 1.00 0.00 O ATOM 80 CB VAL A 5 -5.082 3.078 4.367 1.00 0.00 C ATOM 81 CG1 VAL A 5 -3.980 2.039 4.215 1.00 0.00 C ATOM 82 CG2 VAL A 5 -6.429 2.490 3.969 1.00 0.00 C ATOM 0 H VAL A 5 -6.881 4.743 5.602 1.00 0.00 H new ATOM 0 HA VAL A 5 -4.822 2.828 6.495 1.00 0.00 H new ATOM 0 HB VAL A 5 -4.866 3.912 3.699 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.969 1.668 3.190 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -3.017 2.494 4.447 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -4.164 1.211 4.899 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -6.374 2.114 2.947 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -6.683 1.672 4.644 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -7.196 3.262 4.031 1.00 0.00 H new ATOM 92 N LYS A 6 -3.106 4.627 6.742 1.00 0.00 N ATOM 93 CA LYS A 6 -2.110 5.678 6.932 1.00 0.00 C ATOM 94 C LYS A 6 -0.802 5.320 6.231 1.00 0.00 C ATOM 95 O LYS A 6 -0.210 4.276 6.501 1.00 0.00 O ATOM 96 CB LYS A 6 -1.857 5.905 8.423 1.00 0.00 C ATOM 97 CG LYS A 6 -3.001 6.607 9.135 1.00 0.00 C ATOM 98 CD LYS A 6 -3.112 6.161 10.585 1.00 0.00 C ATOM 99 CE LYS A 6 -4.011 7.090 11.386 1.00 0.00 C ATOM 100 NZ LYS A 6 -3.933 6.815 12.846 1.00 0.00 N ATOM 0 H LYS A 6 -2.932 3.778 7.279 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.498 6.597 6.492 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -1.677 4.943 8.903 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -0.949 6.496 8.543 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -2.848 7.686 9.096 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -3.937 6.398 8.616 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -3.507 5.146 10.625 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -2.120 6.135 11.036 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -3.725 8.125 11.196 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -5.042 6.977 11.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -4.560 7.469 13.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -4.230 5.836 13.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -2.955 6.948 13.172 1.00 0.00 H new ATOM 114 N THR A 7 -0.358 6.186 5.321 1.00 0.00 N ATOM 115 CA THR A 7 0.874 5.944 4.578 1.00 0.00 C ATOM 116 C THR A 7 2.062 6.727 5.161 1.00 0.00 C ATOM 117 O THR A 7 2.933 6.148 5.811 1.00 0.00 O ATOM 118 CB THR A 7 0.681 6.322 3.107 1.00 0.00 C ATOM 119 OG1 THR A 7 -0.272 7.362 2.976 1.00 0.00 O ATOM 120 CG2 THR A 7 0.217 5.164 2.248 1.00 0.00 C ATOM 0 H THR A 7 -0.832 7.057 5.083 1.00 0.00 H new ATOM 0 HA THR A 7 1.102 4.881 4.661 1.00 0.00 H new ATOM 0 HB THR A 7 1.664 6.641 2.760 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.379 7.590 2.029 1.00 0.00 H new ATOM 0 HG21 THR A 7 0.100 5.499 1.218 1.00 0.00 H new ATOM 0 HG22 THR A 7 0.955 4.363 2.287 1.00 0.00 H new ATOM 0 HG23 THR A 7 -0.739 4.795 2.620 1.00 0.00 H new ATOM 128 N LEU A 8 2.098 8.040 4.912 1.00 0.00 N ATOM 129 CA LEU A 8 3.183 8.893 5.397 1.00 0.00 C ATOM 130 C LEU A 8 3.145 9.040 6.926 1.00 0.00 C ATOM 131 O LEU A 8 3.419 8.077 7.644 1.00 0.00 O ATOM 132 CB LEU A 8 3.191 10.250 4.652 1.00 0.00 C ATOM 133 CG LEU A 8 1.831 10.944 4.494 1.00 0.00 C ATOM 134 CD1 LEU A 8 1.955 12.436 4.769 1.00 0.00 C ATOM 135 CD2 LEU A 8 1.266 10.705 3.099 1.00 0.00 C ATOM 0 H LEU A 8 1.385 8.534 4.376 1.00 0.00 H new ATOM 0 HA LEU A 8 4.132 8.408 5.170 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.862 10.927 5.181 1.00 0.00 H new ATOM 0 HB3 LEU A 8 3.613 10.093 3.659 1.00 0.00 H new ATOM 0 HG LEU A 8 1.143 10.516 5.223 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.980 12.910 4.652 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.313 12.590 5.787 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.660 12.878 4.065 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.302 11.205 3.006 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.955 11.104 2.354 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.137 9.635 2.937 1.00 0.00 H new ATOM 147 N THR A 9 2.808 10.232 7.431 1.00 0.00 N ATOM 148 CA THR A 9 2.745 10.460 8.868 1.00 0.00 C ATOM 149 C THR A 9 1.303 10.681 9.326 1.00 0.00 C ATOM 150 O THR A 9 0.982 11.709 9.922 1.00 0.00 O ATOM 151 CB THR A 9 3.607 11.666 9.251 1.00 0.00 C ATOM 152 OG1 THR A 9 3.539 11.907 10.646 1.00 0.00 O ATOM 153 CG2 THR A 9 3.200 12.941 8.545 1.00 0.00 C ATOM 0 H THR A 9 2.577 11.047 6.863 1.00 0.00 H new ATOM 0 HA THR A 9 3.131 9.572 9.368 1.00 0.00 H new ATOM 0 HB THR A 9 4.620 11.407 8.943 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.611 12.089 10.902 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.851 13.756 8.862 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.288 12.804 7.467 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.167 13.183 8.797 1.00 0.00 H new ATOM 161 N GLY A 10 0.437 9.705 9.055 1.00 0.00 N ATOM 162 CA GLY A 10 -0.954 9.815 9.462 1.00 0.00 C ATOM 163 C GLY A 10 -1.848 10.406 8.386 1.00 0.00 C ATOM 164 O GLY A 10 -2.775 11.157 8.692 1.00 0.00 O ATOM 0 H GLY A 10 0.673 8.844 8.563 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.326 8.827 9.732 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.016 10.434 10.357 1.00 0.00 H new ATOM 168 N LYS A 11 -1.584 10.067 7.124 1.00 0.00 N ATOM 169 CA LYS A 11 -2.393 10.577 6.020 1.00 0.00 C ATOM 170 C LYS A 11 -3.640 9.717 5.821 1.00 0.00 C ATOM 171 O LYS A 11 -3.586 8.494 5.957 1.00 0.00 O ATOM 172 CB LYS A 11 -1.577 10.619 4.725 1.00 0.00 C ATOM 173 CG LYS A 11 -2.315 11.262 3.562 1.00 0.00 C ATOM 174 CD LYS A 11 -2.011 10.557 2.250 1.00 0.00 C ATOM 175 CE LYS A 11 -2.866 11.101 1.115 1.00 0.00 C ATOM 176 NZ LYS A 11 -4.287 11.276 1.525 1.00 0.00 N ATOM 0 H LYS A 11 -0.824 9.448 6.844 1.00 0.00 H new ATOM 0 HA LYS A 11 -2.703 11.591 6.272 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.652 11.167 4.906 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.296 9.603 4.449 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -3.388 11.234 3.751 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.032 12.312 3.486 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.956 10.681 2.005 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.189 9.487 2.361 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.463 12.058 0.784 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.815 10.422 0.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.900 11.213 0.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.548 10.530 2.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.407 12.207 1.973 1.00 0.00 H new ATOM 190 N THR A 12 -4.762 10.358 5.497 1.00 0.00 N ATOM 191 CA THR A 12 -6.012 9.636 5.280 1.00 0.00 C ATOM 192 C THR A 12 -6.257 9.405 3.790 1.00 0.00 C ATOM 193 O THR A 12 -6.391 10.354 3.018 1.00 0.00 O ATOM 194 CB THR A 12 -7.192 10.397 5.897 1.00 0.00 C ATOM 195 OG1 THR A 12 -8.415 9.749 5.597 1.00 0.00 O ATOM 196 CG2 THR A 12 -7.308 11.831 5.424 1.00 0.00 C ATOM 0 H THR A 12 -4.830 11.369 5.380 1.00 0.00 H new ATOM 0 HA THR A 12 -5.927 8.666 5.770 1.00 0.00 H new ATOM 0 HB THR A 12 -6.994 10.405 6.969 1.00 0.00 H new ATOM 0 HG1 THR A 12 -9.157 10.247 6.000 1.00 0.00 H new ATOM 0 HG21 THR A 12 -8.165 12.304 5.903 1.00 0.00 H new ATOM 0 HG22 THR A 12 -6.400 12.375 5.685 1.00 0.00 H new ATOM 0 HG23 THR A 12 -7.442 11.848 4.342 1.00 0.00 H new ATOM 204 N ILE A 13 -6.310 8.135 3.387 1.00 0.00 N ATOM 205 CA ILE A 13 -6.535 7.789 1.989 1.00 0.00 C ATOM 206 C ILE A 13 -7.731 6.851 1.838 1.00 0.00 C ATOM 207 O ILE A 13 -7.986 6.016 2.706 1.00 0.00 O ATOM 208 CB ILE A 13 -5.294 7.119 1.369 1.00 0.00 C ATOM 209 CG1 ILE A 13 -4.920 5.861 2.154 1.00 0.00 C ATOM 210 CG2 ILE A 13 -4.128 8.095 1.336 1.00 0.00 C ATOM 211 CD1 ILE A 13 -4.367 4.750 1.288 1.00 0.00 C ATOM 0 H ILE A 13 -6.200 7.334 4.009 1.00 0.00 H new ATOM 0 HA ILE A 13 -6.738 8.722 1.463 1.00 0.00 H new ATOM 0 HB ILE A 13 -5.529 6.828 0.345 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.181 6.122 2.912 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -5.802 5.496 2.681 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.258 7.608 0.895 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.399 8.965 0.738 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.891 8.413 2.351 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -4.124 3.890 1.911 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -5.112 4.462 0.546 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -3.467 5.097 0.781 1.00 0.00 H new ATOM 223 N THR A 14 -8.460 6.990 0.733 1.00 0.00 N ATOM 224 CA THR A 14 -9.625 6.149 0.477 1.00 0.00 C ATOM 225 C THR A 14 -9.260 4.982 -0.440 1.00 0.00 C ATOM 226 O THR A 14 -8.638 5.177 -1.484 1.00 0.00 O ATOM 227 CB THR A 14 -10.754 6.978 -0.144 1.00 0.00 C ATOM 228 OG1 THR A 14 -11.964 6.235 -0.190 1.00 0.00 O ATOM 229 CG2 THR A 14 -10.448 7.456 -1.551 1.00 0.00 C ATOM 0 H THR A 14 -8.265 7.675 0.003 1.00 0.00 H new ATOM 0 HA THR A 14 -9.969 5.743 1.428 1.00 0.00 H new ATOM 0 HB THR A 14 -10.855 7.850 0.502 1.00 0.00 H new ATOM 0 HG1 THR A 14 -12.671 6.785 -0.589 1.00 0.00 H new ATOM 0 HG21 THR A 14 -11.290 8.036 -1.929 1.00 0.00 H new ATOM 0 HG22 THR A 14 -9.554 8.080 -1.537 1.00 0.00 H new ATOM 0 HG23 THR A 14 -10.280 6.596 -2.199 1.00 0.00 H new ATOM 237 N LEU A 15 -9.648 3.770 -0.045 1.00 0.00 N ATOM 238 CA LEU A 15 -9.356 2.582 -0.838 1.00 0.00 C ATOM 239 C LEU A 15 -10.615 1.745 -1.053 1.00 0.00 C ATOM 240 O LEU A 15 -11.368 1.491 -0.112 1.00 0.00 O ATOM 241 CB LEU A 15 -8.277 1.739 -0.153 1.00 0.00 C ATOM 242 CG LEU A 15 -7.167 1.232 -1.076 1.00 0.00 C ATOM 243 CD1 LEU A 15 -7.758 0.471 -2.253 1.00 0.00 C ATOM 244 CD2 LEU A 15 -6.312 2.392 -1.564 1.00 0.00 C ATOM 0 H LEU A 15 -10.163 3.588 0.816 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.990 2.907 -1.812 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.825 2.332 0.642 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.754 0.881 0.321 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.532 0.549 -0.511 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -6.954 0.118 -2.899 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.329 -0.382 -1.885 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -8.415 1.131 -2.820 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.527 2.015 -2.219 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -6.935 3.098 -2.113 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.860 2.896 -0.709 1.00 0.00 H new ATOM 256 N GLU A 16 -10.841 1.318 -2.294 1.00 0.00 N ATOM 257 CA GLU A 16 -12.011 0.511 -2.620 1.00 0.00 C ATOM 258 C GLU A 16 -11.640 -0.967 -2.728 1.00 0.00 C ATOM 259 O GLU A 16 -10.468 -1.329 -2.618 1.00 0.00 O ATOM 260 CB GLU A 16 -12.638 0.988 -3.931 1.00 0.00 C ATOM 261 CG GLU A 16 -11.701 0.891 -5.126 1.00 0.00 C ATOM 262 CD GLU A 16 -12.426 1.049 -6.447 1.00 0.00 C ATOM 263 OE1 GLU A 16 -13.201 2.018 -6.588 1.00 0.00 O ATOM 264 OE2 GLU A 16 -12.219 0.204 -7.343 1.00 0.00 O ATOM 0 H GLU A 16 -10.231 1.517 -3.087 1.00 0.00 H new ATOM 0 HA GLU A 16 -12.737 0.628 -1.815 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -13.532 0.398 -4.132 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -12.959 2.023 -3.815 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.932 1.659 -5.043 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -11.193 -0.073 -5.107 1.00 0.00 H new ATOM 271 N VAL A 17 -12.642 -1.818 -2.942 1.00 0.00 N ATOM 272 CA VAL A 17 -12.409 -3.253 -3.062 1.00 0.00 C ATOM 273 C VAL A 17 -13.082 -3.818 -4.310 1.00 0.00 C ATOM 274 O VAL A 17 -14.299 -3.995 -4.343 1.00 0.00 O ATOM 275 CB VAL A 17 -12.927 -4.010 -1.825 1.00 0.00 C ATOM 276 CG1 VAL A 17 -12.506 -5.471 -1.877 1.00 0.00 C ATOM 277 CG2 VAL A 17 -12.431 -3.350 -0.548 1.00 0.00 C ATOM 0 H VAL A 17 -13.619 -1.539 -3.035 1.00 0.00 H new ATOM 0 HA VAL A 17 -11.331 -3.393 -3.140 1.00 0.00 H new ATOM 0 HB VAL A 17 -14.016 -3.970 -1.828 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -12.881 -5.989 -0.995 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -12.916 -5.936 -2.773 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -11.418 -5.536 -1.900 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -12.807 -3.899 0.315 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -11.341 -3.356 -0.535 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -12.789 -2.321 -0.508 1.00 0.00 H new ATOM 287 N GLU A 18 -12.282 -4.105 -5.337 1.00 0.00 N ATOM 288 CA GLU A 18 -12.805 -4.652 -6.582 1.00 0.00 C ATOM 289 C GLU A 18 -12.443 -6.129 -6.720 1.00 0.00 C ATOM 290 O GLU A 18 -11.534 -6.617 -6.047 1.00 0.00 O ATOM 291 CB GLU A 18 -12.261 -3.865 -7.777 1.00 0.00 C ATOM 292 CG GLU A 18 -10.756 -3.982 -7.949 1.00 0.00 C ATOM 293 CD GLU A 18 -10.278 -3.447 -9.284 1.00 0.00 C ATOM 294 OE1 GLU A 18 -10.749 -2.364 -9.692 1.00 0.00 O ATOM 295 OE2 GLU A 18 -9.434 -4.111 -9.923 1.00 0.00 O ATOM 0 H GLU A 18 -11.271 -3.967 -5.328 1.00 0.00 H new ATOM 0 HA GLU A 18 -13.891 -4.563 -6.563 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -12.750 -4.216 -8.686 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.524 -2.814 -7.659 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -10.259 -3.439 -7.145 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.464 -5.028 -7.855 1.00 0.00 H new ATOM 302 N PRO A 19 -13.150 -6.863 -7.594 1.00 0.00 N ATOM 303 CA PRO A 19 -12.893 -8.291 -7.810 1.00 0.00 C ATOM 304 C PRO A 19 -11.422 -8.579 -8.102 1.00 0.00 C ATOM 305 O PRO A 19 -10.788 -9.367 -7.401 1.00 0.00 O ATOM 306 CB PRO A 19 -13.760 -8.626 -9.027 1.00 0.00 C ATOM 307 CG PRO A 19 -14.858 -7.621 -9.000 1.00 0.00 C ATOM 308 CD PRO A 19 -14.254 -6.364 -8.435 1.00 0.00 C ATOM 0 HA PRO A 19 -13.126 -8.887 -6.928 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.186 -8.560 -9.951 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -14.152 -9.641 -8.966 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -15.254 -7.448 -10.001 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -15.688 -7.966 -8.384 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -13.892 -5.703 -9.223 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -14.979 -5.797 -7.851 1.00 0.00 H new ATOM 316 N SER A 20 -10.881 -7.938 -9.139 1.00 0.00 N ATOM 317 CA SER A 20 -9.480 -8.133 -9.515 1.00 0.00 C ATOM 318 C SER A 20 -8.549 -7.138 -8.812 1.00 0.00 C ATOM 319 O SER A 20 -7.590 -6.654 -9.413 1.00 0.00 O ATOM 320 CB SER A 20 -9.316 -8.012 -11.032 1.00 0.00 C ATOM 321 OG SER A 20 -9.353 -6.655 -11.442 1.00 0.00 O ATOM 0 H SER A 20 -11.389 -7.282 -9.732 1.00 0.00 H new ATOM 0 HA SER A 20 -9.197 -9.136 -9.194 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.371 -8.461 -11.336 1.00 0.00 H new ATOM 0 HB3 SER A 20 -10.109 -8.568 -11.532 1.00 0.00 H new ATOM 0 HG SER A 20 -8.571 -6.184 -11.085 1.00 0.00 H new ATOM 327 N ASP A 21 -8.824 -6.831 -7.542 1.00 0.00 N ATOM 328 CA ASP A 21 -7.990 -5.893 -6.794 1.00 0.00 C ATOM 329 C ASP A 21 -6.672 -6.545 -6.381 1.00 0.00 C ATOM 330 O ASP A 21 -6.547 -7.055 -5.266 1.00 0.00 O ATOM 331 CB ASP A 21 -8.729 -5.385 -5.554 1.00 0.00 C ATOM 332 CG ASP A 21 -8.213 -4.037 -5.086 1.00 0.00 C ATOM 333 OD1 ASP A 21 -8.638 -3.010 -5.655 1.00 0.00 O ATOM 334 OD2 ASP A 21 -7.387 -4.010 -4.150 1.00 0.00 O ATOM 0 H ASP A 21 -9.609 -7.215 -7.016 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.771 -5.048 -7.446 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -9.793 -5.307 -5.775 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.623 -6.111 -4.748 1.00 0.00 H new ATOM 339 N THR A 22 -5.688 -6.524 -7.279 1.00 0.00 N ATOM 340 CA THR A 22 -4.384 -7.115 -6.992 1.00 0.00 C ATOM 341 C THR A 22 -3.490 -6.123 -6.252 1.00 0.00 C ATOM 342 O THR A 22 -3.759 -4.922 -6.243 1.00 0.00 O ATOM 343 CB THR A 22 -3.698 -7.571 -8.286 1.00 0.00 C ATOM 344 OG1 THR A 22 -3.098 -6.473 -8.957 1.00 0.00 O ATOM 345 CG2 THR A 22 -4.642 -8.249 -9.259 1.00 0.00 C ATOM 0 H THR A 22 -5.769 -6.106 -8.206 1.00 0.00 H new ATOM 0 HA THR A 22 -4.544 -7.984 -6.354 1.00 0.00 H new ATOM 0 HB THR A 22 -2.946 -8.295 -7.971 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.547 -6.803 -9.697 1.00 0.00 H new ATOM 0 HG21 THR A 22 -4.092 -8.546 -10.152 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.076 -9.132 -8.790 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.437 -7.557 -9.536 1.00 0.00 H new ATOM 353 N ILE A 23 -2.423 -6.630 -5.632 1.00 0.00 N ATOM 354 CA ILE A 23 -1.497 -5.775 -4.894 1.00 0.00 C ATOM 355 C ILE A 23 -0.724 -4.860 -5.841 1.00 0.00 C ATOM 356 O ILE A 23 -0.545 -3.674 -5.559 1.00 0.00 O ATOM 357 CB ILE A 23 -0.496 -6.603 -4.058 1.00 0.00 C ATOM 358 CG1 ILE A 23 -1.239 -7.586 -3.150 1.00 0.00 C ATOM 359 CG2 ILE A 23 0.395 -5.685 -3.230 1.00 0.00 C ATOM 360 CD1 ILE A 23 -2.302 -6.937 -2.289 1.00 0.00 C ATOM 0 H ILE A 23 -2.181 -7.621 -5.627 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.100 -5.170 -4.217 1.00 0.00 H new ATOM 0 HB ILE A 23 0.134 -7.173 -4.741 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -1.704 -8.356 -3.766 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -0.517 -8.087 -2.505 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.094 -6.285 -2.647 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.951 -5.022 -3.893 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.222 -5.090 -2.556 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.785 -7.696 -1.673 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.841 -6.187 -1.646 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.046 -6.460 -2.927 1.00 0.00 H new ATOM 372 N GLU A 24 -0.266 -5.412 -6.965 1.00 0.00 N ATOM 373 CA GLU A 24 0.486 -4.630 -7.946 1.00 0.00 C ATOM 374 C GLU A 24 -0.293 -3.384 -8.366 1.00 0.00 C ATOM 375 O GLU A 24 0.277 -2.301 -8.493 1.00 0.00 O ATOM 376 CB GLU A 24 0.813 -5.478 -9.179 1.00 0.00 C ATOM 377 CG GLU A 24 2.155 -5.140 -9.810 1.00 0.00 C ATOM 378 CD GLU A 24 3.259 -6.080 -9.367 1.00 0.00 C ATOM 379 OE1 GLU A 24 3.045 -7.310 -9.412 1.00 0.00 O ATOM 380 OE2 GLU A 24 4.337 -5.587 -8.978 1.00 0.00 O ATOM 0 H GLU A 24 -0.401 -6.391 -7.218 1.00 0.00 H new ATOM 0 HA GLU A 24 1.418 -4.316 -7.476 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.808 -6.531 -8.898 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.027 -5.343 -9.922 1.00 0.00 H new ATOM 0 HG2 GLU A 24 2.063 -5.180 -10.895 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.427 -4.117 -9.550 1.00 0.00 H new ATOM 387 N ASN A 25 -1.599 -3.543 -8.575 1.00 0.00 N ATOM 388 CA ASN A 25 -2.448 -2.422 -8.977 1.00 0.00 C ATOM 389 C ASN A 25 -2.590 -1.412 -7.838 1.00 0.00 C ATOM 390 O ASN A 25 -2.585 -0.203 -8.069 1.00 0.00 O ATOM 391 CB ASN A 25 -3.832 -2.917 -9.407 1.00 0.00 C ATOM 392 CG ASN A 25 -3.843 -3.439 -10.832 1.00 0.00 C ATOM 393 OD1 ASN A 25 -4.353 -2.634 -11.762 1.00 0.00 O flip ATOM 394 ND2 ASN A 25 -3.396 -4.555 -11.099 1.00 0.00 N flip ATOM 0 H ASN A 25 -2.090 -4.431 -8.474 1.00 0.00 H new ATOM 0 HA ASN A 25 -1.971 -1.930 -9.825 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -4.158 -3.707 -8.731 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.551 -2.103 -9.316 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -3.014 -5.142 -10.358 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -3.408 -4.892 -12.062 1.00 0.00 H new ATOM 401 N VAL A 26 -2.716 -1.910 -6.608 1.00 0.00 N ATOM 402 CA VAL A 26 -2.859 -1.039 -5.446 1.00 0.00 C ATOM 403 C VAL A 26 -1.606 -0.188 -5.245 1.00 0.00 C ATOM 404 O VAL A 26 -1.698 1.014 -4.993 1.00 0.00 O ATOM 405 CB VAL A 26 -3.132 -1.844 -4.158 1.00 0.00 C ATOM 406 CG1 VAL A 26 -3.381 -0.910 -2.983 1.00 0.00 C ATOM 407 CG2 VAL A 26 -4.311 -2.788 -4.355 1.00 0.00 C ATOM 0 H VAL A 26 -2.722 -2.907 -6.393 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.714 -0.391 -5.642 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.249 -2.443 -3.935 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.571 -1.498 -2.085 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.505 -0.281 -2.826 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.246 -0.281 -3.195 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.487 -3.347 -3.436 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.201 -2.211 -4.606 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -4.089 -3.483 -5.165 1.00 0.00 H new ATOM 417 N LYS A 27 -0.436 -0.814 -5.359 1.00 0.00 N ATOM 418 CA LYS A 27 0.829 -0.101 -5.190 1.00 0.00 C ATOM 419 C LYS A 27 0.950 1.033 -6.207 1.00 0.00 C ATOM 420 O LYS A 27 1.355 2.144 -5.864 1.00 0.00 O ATOM 421 CB LYS A 27 2.015 -1.060 -5.335 1.00 0.00 C ATOM 422 CG LYS A 27 2.506 -1.622 -4.011 1.00 0.00 C ATOM 423 CD LYS A 27 2.951 -3.069 -4.150 1.00 0.00 C ATOM 424 CE LYS A 27 3.474 -3.620 -2.834 1.00 0.00 C ATOM 425 NZ LYS A 27 4.962 -3.609 -2.780 1.00 0.00 N ATOM 0 H LYS A 27 -0.337 -1.808 -5.566 1.00 0.00 H new ATOM 0 HA LYS A 27 0.843 0.325 -4.187 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.727 -1.885 -5.986 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.836 -0.538 -5.826 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.336 -1.019 -3.644 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.711 -1.555 -3.269 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.114 -3.677 -4.493 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.729 -3.140 -4.910 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.076 -3.029 -2.009 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.113 -4.640 -2.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.279 -3.992 -1.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.342 -4.194 -3.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.306 -2.633 -2.884 1.00 0.00 H new ATOM 439 N ALA A 28 0.592 0.750 -7.459 1.00 0.00 N ATOM 440 CA ALA A 28 0.662 1.756 -8.517 1.00 0.00 C ATOM 441 C ALA A 28 -0.186 2.979 -8.171 1.00 0.00 C ATOM 442 O ALA A 28 0.196 4.111 -8.469 1.00 0.00 O ATOM 443 CB ALA A 28 0.215 1.166 -9.848 1.00 0.00 C ATOM 0 H ALA A 28 0.253 -0.162 -7.764 1.00 0.00 H new ATOM 0 HA ALA A 28 1.701 2.075 -8.605 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.274 1.930 -10.623 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.864 0.331 -10.112 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.813 0.814 -9.763 1.00 0.00 H new ATOM 449 N LYS A 29 -1.337 2.749 -7.539 1.00 0.00 N ATOM 450 CA LYS A 29 -2.230 3.843 -7.157 1.00 0.00 C ATOM 451 C LYS A 29 -1.590 4.719 -6.080 1.00 0.00 C ATOM 452 O LYS A 29 -1.708 5.944 -6.119 1.00 0.00 O ATOM 453 CB LYS A 29 -3.569 3.295 -6.655 1.00 0.00 C ATOM 454 CG LYS A 29 -4.558 4.377 -6.253 1.00 0.00 C ATOM 455 CD LYS A 29 -4.537 4.621 -4.752 1.00 0.00 C ATOM 456 CE LYS A 29 -5.253 5.910 -4.388 1.00 0.00 C ATOM 457 NZ LYS A 29 -5.318 6.113 -2.913 1.00 0.00 N ATOM 0 H LYS A 29 -1.672 1.820 -7.282 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.408 4.454 -8.042 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.015 2.679 -7.435 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.388 2.644 -5.800 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.319 5.303 -6.777 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.562 4.086 -6.562 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.010 3.783 -4.239 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -3.505 4.666 -4.404 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -4.738 6.753 -4.848 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.263 5.892 -4.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -5.814 7.003 -2.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -5.831 5.321 -2.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -4.354 6.156 -2.526 1.00 0.00 H new ATOM 471 N ILE A 30 -0.915 4.089 -5.121 1.00 0.00 N ATOM 472 CA ILE A 30 -0.263 4.827 -4.042 1.00 0.00 C ATOM 473 C ILE A 30 0.939 5.609 -4.566 1.00 0.00 C ATOM 474 O ILE A 30 1.076 6.803 -4.299 1.00 0.00 O ATOM 475 CB ILE A 30 0.202 3.891 -2.905 1.00 0.00 C ATOM 476 CG1 ILE A 30 -0.950 2.995 -2.438 1.00 0.00 C ATOM 477 CG2 ILE A 30 0.749 4.702 -1.739 1.00 0.00 C ATOM 478 CD1 ILE A 30 -2.203 3.760 -2.066 1.00 0.00 C ATOM 0 H ILE A 30 -0.806 3.076 -5.069 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.005 5.519 -3.643 1.00 0.00 H new ATOM 0 HB ILE A 30 0.999 3.254 -3.289 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.190 2.285 -3.229 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.621 2.414 -1.577 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.072 4.027 -0.946 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.597 5.298 -2.076 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -0.030 5.362 -1.358 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.975 3.060 -1.745 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.980 4.451 -1.253 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.558 4.320 -2.931 1.00 0.00 H new ATOM 490 N GLN A 31 1.808 4.932 -5.315 1.00 0.00 N ATOM 491 CA GLN A 31 2.995 5.577 -5.876 1.00 0.00 C ATOM 492 C GLN A 31 2.614 6.654 -6.895 1.00 0.00 C ATOM 493 O GLN A 31 3.380 7.590 -7.129 1.00 0.00 O ATOM 494 CB GLN A 31 3.913 4.541 -6.532 1.00 0.00 C ATOM 495 CG GLN A 31 3.251 3.765 -7.657 1.00 0.00 C ATOM 496 CD GLN A 31 4.168 3.575 -8.853 1.00 0.00 C ATOM 497 OE1 GLN A 31 5.090 2.759 -8.815 1.00 0.00 O ATOM 498 NE2 GLN A 31 3.922 4.325 -9.925 1.00 0.00 N ATOM 0 H GLN A 31 1.714 3.943 -5.547 1.00 0.00 H new ATOM 0 HA GLN A 31 3.528 6.055 -5.054 1.00 0.00 H new ATOM 0 HB2 GLN A 31 4.797 5.046 -6.922 1.00 0.00 H new ATOM 0 HB3 GLN A 31 4.257 3.840 -5.772 1.00 0.00 H new ATOM 0 HG2 GLN A 31 2.938 2.789 -7.285 1.00 0.00 H new ATOM 0 HG3 GLN A 31 2.350 4.290 -7.974 1.00 0.00 H new ATOM 0 HE21 GLN A 31 3.148 4.989 -9.916 1.00 0.00 H new ATOM 0 HE22 GLN A 31 4.507 4.235 -10.755 1.00 0.00 H new ATOM 507 N ASP A 32 1.432 6.524 -7.502 1.00 0.00 N ATOM 508 CA ASP A 32 0.969 7.495 -8.495 1.00 0.00 C ATOM 509 C ASP A 32 1.072 8.930 -7.971 1.00 0.00 C ATOM 510 O ASP A 32 1.309 9.859 -8.743 1.00 0.00 O ATOM 511 CB ASP A 32 -0.477 7.199 -8.903 1.00 0.00 C ATOM 512 CG ASP A 32 -0.813 7.742 -10.278 1.00 0.00 C ATOM 513 OD1 ASP A 32 -0.154 7.330 -11.256 1.00 0.00 O ATOM 514 OD2 ASP A 32 -1.734 8.580 -10.377 1.00 0.00 O ATOM 0 H ASP A 32 0.781 5.759 -7.324 1.00 0.00 H new ATOM 0 HA ASP A 32 1.617 7.402 -9.366 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.642 6.122 -8.891 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.155 7.633 -8.168 1.00 0.00 H new ATOM 519 N LYS A 33 0.893 9.111 -6.662 1.00 0.00 N ATOM 520 CA LYS A 33 0.970 10.442 -6.064 1.00 0.00 C ATOM 521 C LYS A 33 2.416 10.822 -5.738 1.00 0.00 C ATOM 522 O LYS A 33 2.761 12.004 -5.719 1.00 0.00 O ATOM 523 CB LYS A 33 0.110 10.522 -4.798 1.00 0.00 C ATOM 524 CG LYS A 33 0.456 9.473 -3.750 1.00 0.00 C ATOM 525 CD LYS A 33 0.581 10.086 -2.364 1.00 0.00 C ATOM 526 CE LYS A 33 -0.682 9.875 -1.546 1.00 0.00 C ATOM 527 NZ LYS A 33 -1.911 10.170 -2.333 1.00 0.00 N ATOM 0 H LYS A 33 0.695 8.359 -6.001 1.00 0.00 H new ATOM 0 HA LYS A 33 0.585 11.152 -6.796 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.221 11.513 -4.357 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -0.938 10.412 -5.075 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -0.314 8.701 -3.739 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.393 8.985 -4.018 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.431 9.643 -1.844 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.784 11.153 -2.454 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.717 8.845 -1.192 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.654 10.515 -0.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.701 10.363 -1.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.746 11.002 -2.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.146 9.351 -2.930 1.00 0.00 H new ATOM 541 N GLU A 34 3.261 9.822 -5.479 1.00 0.00 N ATOM 542 CA GLU A 34 4.661 10.073 -5.153 1.00 0.00 C ATOM 543 C GLU A 34 4.789 10.765 -3.797 1.00 0.00 C ATOM 544 O GLU A 34 5.709 11.554 -3.579 1.00 0.00 O ATOM 545 CB GLU A 34 5.320 10.928 -6.241 1.00 0.00 C ATOM 546 CG GLU A 34 6.737 10.496 -6.579 1.00 0.00 C ATOM 547 CD GLU A 34 6.775 9.300 -7.511 1.00 0.00 C ATOM 548 OE1 GLU A 34 6.561 8.166 -7.031 1.00 0.00 O ATOM 549 OE2 GLU A 34 7.019 9.496 -8.719 1.00 0.00 O ATOM 0 H GLU A 34 2.999 8.836 -5.489 1.00 0.00 H new ATOM 0 HA GLU A 34 5.172 9.112 -5.101 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.711 10.885 -7.144 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.334 11.968 -5.915 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.266 11.329 -7.041 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.268 10.252 -5.659 1.00 0.00 H new ATOM 556 N GLY A 35 3.863 10.465 -2.885 1.00 0.00 N ATOM 557 CA GLY A 35 3.902 11.071 -1.568 1.00 0.00 C ATOM 558 C GLY A 35 4.627 10.204 -0.554 1.00 0.00 C ATOM 559 O GLY A 35 5.407 10.708 0.252 1.00 0.00 O ATOM 0 H GLY A 35 3.091 9.816 -3.037 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.395 12.041 -1.632 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.884 11.253 -1.224 1.00 0.00 H new ATOM 563 N ILE A 36 4.369 8.897 -0.592 1.00 0.00 N ATOM 564 CA ILE A 36 5.007 7.966 0.333 1.00 0.00 C ATOM 565 C ILE A 36 6.330 7.446 -0.235 1.00 0.00 C ATOM 566 O ILE A 36 6.341 6.692 -1.209 1.00 0.00 O ATOM 567 CB ILE A 36 4.082 6.771 0.656 1.00 0.00 C ATOM 568 CG1 ILE A 36 4.703 5.893 1.744 1.00 0.00 C ATOM 569 CG2 ILE A 36 3.796 5.952 -0.597 1.00 0.00 C ATOM 570 CD1 ILE A 36 3.729 4.914 2.361 1.00 0.00 C ATOM 0 H ILE A 36 3.724 8.462 -1.252 1.00 0.00 H new ATOM 0 HA ILE A 36 5.205 8.515 1.253 1.00 0.00 H new ATOM 0 HB ILE A 36 3.135 7.163 1.027 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.541 5.340 1.319 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.108 6.533 2.528 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.143 5.117 -0.344 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.308 6.582 -1.340 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.732 5.570 -1.004 1.00 0.00 H new ATOM 0 HD11 ILE A 36 4.239 4.325 3.124 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.903 5.460 2.816 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.342 4.250 1.588 1.00 0.00 H new ATOM 582 N PRO A 37 7.471 7.843 0.361 1.00 0.00 N ATOM 583 CA PRO A 37 8.793 7.410 -0.106 1.00 0.00 C ATOM 584 C PRO A 37 8.950 5.889 -0.091 1.00 0.00 C ATOM 585 O PRO A 37 9.391 5.299 -1.077 1.00 0.00 O ATOM 586 CB PRO A 37 9.768 8.062 0.882 1.00 0.00 C ATOM 587 CG PRO A 37 9.004 9.183 1.500 1.00 0.00 C ATOM 588 CD PRO A 37 7.567 8.745 1.523 1.00 0.00 C ATOM 0 HA PRO A 37 8.966 7.702 -1.142 1.00 0.00 H new ATOM 0 HB2 PRO A 37 10.101 7.349 1.636 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.660 8.427 0.373 1.00 0.00 H new ATOM 0 HG2 PRO A 37 9.364 9.391 2.507 1.00 0.00 H new ATOM 0 HG3 PRO A 37 9.123 10.100 0.923 1.00 0.00 H new ATOM 0 HD2 PRO A 37 7.317 8.233 2.452 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.886 9.592 1.433 1.00 0.00 H new ATOM 596 N PRO A 38 8.588 5.229 1.025 1.00 0.00 N ATOM 597 CA PRO A 38 8.693 3.772 1.149 1.00 0.00 C ATOM 598 C PRO A 38 8.184 3.041 -0.094 1.00 0.00 C ATOM 599 O PRO A 38 6.990 2.773 -0.222 1.00 0.00 O ATOM 600 CB PRO A 38 7.806 3.463 2.352 1.00 0.00 C ATOM 601 CG PRO A 38 7.891 4.684 3.201 1.00 0.00 C ATOM 602 CD PRO A 38 8.048 5.845 2.255 1.00 0.00 C ATOM 0 HA PRO A 38 9.726 3.444 1.263 1.00 0.00 H new ATOM 0 HB2 PRO A 38 6.779 3.262 2.047 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.157 2.581 2.888 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.994 4.797 3.810 1.00 0.00 H new ATOM 0 HG3 PRO A 38 8.737 4.623 3.886 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.095 6.341 2.069 1.00 0.00 H new ATOM 0 HD3 PRO A 38 8.726 6.598 2.656 1.00 0.00 H new ATOM 610 N ASP A 39 9.099 2.719 -1.008 1.00 0.00 N ATOM 611 CA ASP A 39 8.738 2.019 -2.240 1.00 0.00 C ATOM 612 C ASP A 39 8.288 0.586 -1.952 1.00 0.00 C ATOM 613 O ASP A 39 7.443 0.043 -2.665 1.00 0.00 O ATOM 614 CB ASP A 39 9.917 2.006 -3.218 1.00 0.00 C ATOM 615 CG ASP A 39 9.468 2.015 -4.666 1.00 0.00 C ATOM 616 OD1 ASP A 39 8.453 1.356 -4.977 1.00 0.00 O ATOM 617 OD2 ASP A 39 10.130 2.681 -5.489 1.00 0.00 O ATOM 0 H ASP A 39 10.093 2.931 -0.919 1.00 0.00 H new ATOM 0 HA ASP A 39 7.905 2.557 -2.693 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.550 2.874 -3.031 1.00 0.00 H new ATOM 0 HB3 ASP A 39 10.527 1.121 -3.035 1.00 0.00 H new ATOM 622 N GLN A 40 8.853 -0.028 -0.911 1.00 0.00 N ATOM 623 CA GLN A 40 8.499 -1.397 -0.550 1.00 0.00 C ATOM 624 C GLN A 40 7.527 -1.423 0.629 1.00 0.00 C ATOM 625 O GLN A 40 7.669 -2.238 1.542 1.00 0.00 O ATOM 626 CB GLN A 40 9.757 -2.197 -0.207 1.00 0.00 C ATOM 627 CG GLN A 40 10.832 -2.132 -1.282 1.00 0.00 C ATOM 628 CD GLN A 40 11.079 -3.477 -1.944 1.00 0.00 C ATOM 629 OE1 GLN A 40 10.139 -4.198 -2.274 1.00 0.00 O ATOM 630 NE2 GLN A 40 12.350 -3.824 -2.142 1.00 0.00 N ATOM 0 H GLN A 40 9.554 0.401 -0.307 1.00 0.00 H new ATOM 0 HA GLN A 40 8.007 -1.854 -1.409 1.00 0.00 H new ATOM 0 HB2 GLN A 40 10.170 -1.825 0.731 1.00 0.00 H new ATOM 0 HB3 GLN A 40 9.482 -3.239 -0.043 1.00 0.00 H new ATOM 0 HG2 GLN A 40 10.538 -1.406 -2.041 1.00 0.00 H new ATOM 0 HG3 GLN A 40 11.761 -1.773 -0.840 1.00 0.00 H new ATOM 0 HE21 GLN A 40 13.101 -3.197 -1.853 1.00 0.00 H new ATOM 0 HE22 GLN A 40 12.572 -4.717 -2.582 1.00 0.00 H new ATOM 639 N GLN A 41 6.533 -0.535 0.605 1.00 0.00 N ATOM 640 CA GLN A 41 5.542 -0.476 1.677 1.00 0.00 C ATOM 641 C GLN A 41 4.446 -1.515 1.457 1.00 0.00 C ATOM 642 O GLN A 41 3.904 -1.632 0.359 1.00 0.00 O ATOM 643 CB GLN A 41 4.925 0.923 1.764 1.00 0.00 C ATOM 644 CG GLN A 41 4.204 1.350 0.495 1.00 0.00 C ATOM 645 CD GLN A 41 2.716 1.560 0.709 1.00 0.00 C ATOM 646 OE1 GLN A 41 2.298 2.569 1.277 1.00 0.00 O ATOM 647 NE2 GLN A 41 1.903 0.607 0.255 1.00 0.00 N ATOM 0 H GLN A 41 6.394 0.148 -0.140 1.00 0.00 H new ATOM 0 HA GLN A 41 6.049 -0.696 2.617 1.00 0.00 H new ATOM 0 HB2 GLN A 41 4.223 0.950 2.597 1.00 0.00 H new ATOM 0 HB3 GLN A 41 5.711 1.645 1.986 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.647 2.274 0.123 1.00 0.00 H new ATOM 0 HG3 GLN A 41 4.353 0.593 -0.275 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.290 -0.214 -0.210 1.00 0.00 H new ATOM 0 HE22 GLN A 41 0.894 0.699 0.373 1.00 0.00 H new ATOM 656 N ARG A 42 4.127 -2.275 2.505 1.00 0.00 N ATOM 657 CA ARG A 42 3.098 -3.305 2.411 1.00 0.00 C ATOM 658 C ARG A 42 2.163 -3.255 3.618 1.00 0.00 C ATOM 659 O ARG A 42 2.311 -2.400 4.492 1.00 0.00 O ATOM 660 CB ARG A 42 3.743 -4.690 2.308 1.00 0.00 C ATOM 661 CG ARG A 42 4.807 -4.790 1.226 1.00 0.00 C ATOM 662 CD ARG A 42 6.167 -5.147 1.806 1.00 0.00 C ATOM 663 NE ARG A 42 7.208 -5.212 0.779 1.00 0.00 N ATOM 664 CZ ARG A 42 8.345 -5.894 0.917 1.00 0.00 C ATOM 665 NH1 ARG A 42 8.594 -6.563 2.036 1.00 0.00 N ATOM 666 NH2 ARG A 42 9.235 -5.904 -0.066 1.00 0.00 N ATOM 0 H ARG A 42 4.565 -2.196 3.423 1.00 0.00 H new ATOM 0 HA ARG A 42 2.511 -3.116 1.512 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.190 -4.945 3.269 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.966 -5.429 2.111 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.514 -5.544 0.496 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.876 -3.841 0.694 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.445 -4.407 2.556 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.101 -6.108 2.315 1.00 0.00 H new ATOM 0 HE ARG A 42 7.054 -4.706 -0.093 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.914 -6.557 2.796 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.466 -7.083 2.136 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.049 -5.390 -0.927 1.00 0.00 H new ATOM 0 HH22 ARG A 42 10.105 -6.426 0.039 1.00 0.00 H new ATOM 680 N LEU A 43 1.201 -4.176 3.663 1.00 0.00 N ATOM 681 CA LEU A 43 0.247 -4.231 4.765 1.00 0.00 C ATOM 682 C LEU A 43 0.671 -5.275 5.797 1.00 0.00 C ATOM 683 O LEU A 43 0.907 -6.434 5.456 1.00 0.00 O ATOM 684 CB LEU A 43 -1.153 -4.556 4.239 1.00 0.00 C ATOM 685 CG LEU A 43 -2.308 -3.992 5.068 1.00 0.00 C ATOM 686 CD1 LEU A 43 -2.212 -4.471 6.508 1.00 0.00 C ATOM 687 CD2 LEU A 43 -2.314 -2.471 5.008 1.00 0.00 C ATOM 0 H LEU A 43 1.063 -4.892 2.950 1.00 0.00 H new ATOM 0 HA LEU A 43 0.228 -3.254 5.248 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.238 -4.176 3.221 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.261 -5.639 4.185 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.246 -4.355 4.647 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.041 -4.061 7.084 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.257 -5.560 6.533 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.269 -4.137 6.941 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.142 -2.087 5.603 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.374 -2.088 5.404 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.430 -2.148 3.973 1.00 0.00 H new ATOM 699 N ILE A 44 0.768 -4.860 7.059 1.00 0.00 N ATOM 700 CA ILE A 44 1.164 -5.766 8.130 1.00 0.00 C ATOM 701 C ILE A 44 -0.048 -6.241 8.931 1.00 0.00 C ATOM 702 O ILE A 44 -0.425 -5.627 9.928 1.00 0.00 O ATOM 703 CB ILE A 44 2.185 -5.103 9.083 1.00 0.00 C ATOM 704 CG1 ILE A 44 2.635 -6.095 10.161 1.00 0.00 C ATOM 705 CG2 ILE A 44 1.596 -3.847 9.716 1.00 0.00 C ATOM 706 CD1 ILE A 44 4.121 -6.381 10.134 1.00 0.00 C ATOM 0 H ILE A 44 0.578 -3.905 7.362 1.00 0.00 H new ATOM 0 HA ILE A 44 1.635 -6.628 7.657 1.00 0.00 H new ATOM 0 HB ILE A 44 3.059 -4.810 8.501 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.366 -5.701 11.141 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.090 -7.030 10.033 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.331 -3.397 10.383 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.331 -3.135 8.934 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.704 -4.110 10.284 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.369 -7.090 10.923 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.393 -6.804 9.167 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.673 -5.454 10.292 1.00 0.00 H new ATOM 718 N PHE A 45 -0.658 -7.340 8.488 1.00 0.00 N ATOM 719 CA PHE A 45 -1.826 -7.888 9.170 1.00 0.00 C ATOM 720 C PHE A 45 -1.913 -9.403 8.985 1.00 0.00 C ATOM 721 O PHE A 45 -1.787 -9.909 7.869 1.00 0.00 O ATOM 722 CB PHE A 45 -3.103 -7.227 8.652 1.00 0.00 C ATOM 723 CG PHE A 45 -4.237 -7.260 9.636 1.00 0.00 C ATOM 724 CD1 PHE A 45 -4.253 -6.400 10.723 1.00 0.00 C ATOM 725 CD2 PHE A 45 -5.285 -8.151 9.477 1.00 0.00 C ATOM 726 CE1 PHE A 45 -5.294 -6.429 11.631 1.00 0.00 C ATOM 727 CE2 PHE A 45 -6.329 -8.185 10.382 1.00 0.00 C ATOM 728 CZ PHE A 45 -6.333 -7.322 11.460 1.00 0.00 C ATOM 0 H PHE A 45 -0.364 -7.865 7.664 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.720 -7.678 10.234 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.887 -6.190 8.394 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.414 -7.726 7.734 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -3.443 -5.700 10.862 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -5.287 -8.828 8.635 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -5.295 -5.754 12.474 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -7.140 -8.885 10.246 1.00 0.00 H new ATOM 0 HZ PHE A 45 -7.148 -7.346 12.168 1.00 0.00 H new ATOM 738 N ALA A 46 -2.129 -10.122 10.085 1.00 0.00 N ATOM 739 CA ALA A 46 -2.232 -11.576 10.040 1.00 0.00 C ATOM 740 C ALA A 46 -0.947 -12.217 9.512 1.00 0.00 C ATOM 741 O ALA A 46 -0.987 -13.288 8.907 1.00 0.00 O ATOM 742 CB ALA A 46 -3.419 -11.992 9.183 1.00 0.00 C ATOM 0 H ALA A 46 -2.236 -9.720 11.016 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.384 -11.930 11.060 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.486 -13.080 9.157 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.336 -11.582 9.608 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.287 -11.612 8.170 1.00 0.00 H new ATOM 748 N GLY A 47 0.195 -11.564 9.745 1.00 0.00 N ATOM 749 CA GLY A 47 1.468 -12.097 9.286 1.00 0.00 C ATOM 750 C GLY A 47 1.421 -12.597 7.851 1.00 0.00 C ATOM 751 O GLY A 47 1.993 -13.641 7.535 1.00 0.00 O ATOM 0 H GLY A 47 0.258 -10.676 10.243 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.231 -11.323 9.370 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.770 -12.915 9.940 1.00 0.00 H new ATOM 755 N LYS A 48 0.741 -11.854 6.978 1.00 0.00 N ATOM 756 CA LYS A 48 0.631 -12.240 5.576 1.00 0.00 C ATOM 757 C LYS A 48 1.463 -11.316 4.688 1.00 0.00 C ATOM 758 O LYS A 48 1.483 -10.102 4.889 1.00 0.00 O ATOM 759 CB LYS A 48 -0.835 -12.217 5.132 1.00 0.00 C ATOM 760 CG LYS A 48 -1.473 -13.595 5.070 1.00 0.00 C ATOM 761 CD LYS A 48 -2.948 -13.542 5.433 1.00 0.00 C ATOM 762 CE LYS A 48 -3.627 -14.881 5.196 1.00 0.00 C ATOM 763 NZ LYS A 48 -5.054 -14.864 5.622 1.00 0.00 N ATOM 0 H LYS A 48 0.261 -10.986 7.217 1.00 0.00 H new ATOM 0 HA LYS A 48 1.017 -13.254 5.472 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.405 -11.593 5.820 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.901 -11.750 4.149 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.359 -14.005 4.067 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.953 -14.269 5.751 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.056 -13.258 6.480 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.442 -12.772 4.841 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.567 -15.136 4.138 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.094 -15.660 5.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.481 -15.796 5.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.111 -14.646 6.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.569 -14.139 5.083 1.00 0.00 H new ATOM 777 N GLN A 49 2.150 -11.898 3.704 1.00 0.00 N ATOM 778 CA GLN A 49 2.981 -11.118 2.791 1.00 0.00 C ATOM 779 C GLN A 49 2.172 -10.644 1.585 1.00 0.00 C ATOM 780 O GLN A 49 1.624 -11.454 0.837 1.00 0.00 O ATOM 781 CB GLN A 49 4.182 -11.945 2.322 1.00 0.00 C ATOM 782 CG GLN A 49 5.427 -11.113 2.061 1.00 0.00 C ATOM 783 CD GLN A 49 5.836 -10.278 3.261 1.00 0.00 C ATOM 784 OE1 GLN A 49 5.306 -9.188 3.477 1.00 0.00 O ATOM 785 NE2 GLN A 49 6.783 -10.781 4.049 1.00 0.00 N ATOM 0 H GLN A 49 2.147 -12.901 3.521 1.00 0.00 H new ATOM 0 HA GLN A 49 3.342 -10.242 3.330 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.410 -12.699 3.075 1.00 0.00 H new ATOM 0 HB3 GLN A 49 3.913 -12.477 1.410 1.00 0.00 H new ATOM 0 HG2 GLN A 49 6.249 -11.774 1.786 1.00 0.00 H new ATOM 0 HG3 GLN A 49 5.248 -10.456 1.210 1.00 0.00 H new ATOM 0 HE21 GLN A 49 7.196 -11.688 3.834 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.095 -10.259 4.868 1.00 0.00 H new ATOM 794 N LEU A 50 2.100 -9.325 1.400 1.00 0.00 N ATOM 795 CA LEU A 50 1.355 -8.748 0.280 1.00 0.00 C ATOM 796 C LEU A 50 2.150 -8.805 -1.032 1.00 0.00 C ATOM 797 O LEU A 50 1.624 -8.461 -2.089 1.00 0.00 O ATOM 798 CB LEU A 50 0.968 -7.298 0.588 1.00 0.00 C ATOM 799 CG LEU A 50 -0.408 -7.120 1.230 1.00 0.00 C ATOM 800 CD1 LEU A 50 -0.359 -7.477 2.707 1.00 0.00 C ATOM 801 CD2 LEU A 50 -0.902 -5.693 1.040 1.00 0.00 C ATOM 0 H LEU A 50 2.546 -8.639 2.008 1.00 0.00 H new ATOM 0 HA LEU A 50 0.454 -9.347 0.150 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.720 -6.870 1.251 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.997 -6.725 -0.339 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.108 -7.795 0.738 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.348 -7.344 3.146 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.048 -8.516 2.820 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.354 -6.828 3.215 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.883 -5.583 1.503 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.201 -5.000 1.506 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.976 -5.472 -0.025 1.00 0.00 H new ATOM 813 N GLU A 51 3.414 -9.234 -0.969 1.00 0.00 N ATOM 814 CA GLU A 51 4.245 -9.315 -2.169 1.00 0.00 C ATOM 815 C GLU A 51 3.921 -10.561 -2.998 1.00 0.00 C ATOM 816 O GLU A 51 4.235 -10.613 -4.188 1.00 0.00 O ATOM 817 CB GLU A 51 5.730 -9.313 -1.794 1.00 0.00 C ATOM 818 CG GLU A 51 6.329 -7.921 -1.691 1.00 0.00 C ATOM 819 CD GLU A 51 7.217 -7.579 -2.871 1.00 0.00 C ATOM 820 OE1 GLU A 51 6.795 -7.819 -4.022 1.00 0.00 O ATOM 821 OE2 GLU A 51 8.337 -7.072 -2.645 1.00 0.00 O ATOM 0 H GLU A 51 3.878 -9.527 -0.109 1.00 0.00 H new ATOM 0 HA GLU A 51 4.025 -8.437 -2.777 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.856 -9.825 -0.840 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.285 -9.884 -2.538 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.525 -7.188 -1.622 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.909 -7.846 -0.771 1.00 0.00 H new ATOM 828 N ASP A 52 3.295 -11.564 -2.375 1.00 0.00 N ATOM 829 CA ASP A 52 2.941 -12.799 -3.080 1.00 0.00 C ATOM 830 C ASP A 52 2.288 -12.501 -4.432 1.00 0.00 C ATOM 831 O ASP A 52 2.537 -13.199 -5.415 1.00 0.00 O ATOM 832 CB ASP A 52 1.999 -13.655 -2.228 1.00 0.00 C ATOM 833 CG ASP A 52 2.736 -14.439 -1.160 1.00 0.00 C ATOM 834 OD1 ASP A 52 3.433 -13.809 -0.337 1.00 0.00 O ATOM 835 OD2 ASP A 52 2.617 -15.682 -1.148 1.00 0.00 O ATOM 0 H ASP A 52 3.025 -11.546 -1.392 1.00 0.00 H new ATOM 0 HA ASP A 52 3.864 -13.351 -3.258 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.256 -13.012 -1.755 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.457 -14.346 -2.874 1.00 0.00 H new ATOM 840 N GLY A 53 1.455 -11.462 -4.478 1.00 0.00 N ATOM 841 CA GLY A 53 0.793 -11.099 -5.718 1.00 0.00 C ATOM 842 C GLY A 53 -0.641 -11.599 -5.789 1.00 0.00 C ATOM 843 O GLY A 53 -1.075 -12.102 -6.826 1.00 0.00 O ATOM 0 H GLY A 53 1.228 -10.868 -3.680 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.800 -10.014 -5.824 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.357 -11.505 -6.558 1.00 0.00 H new ATOM 847 N ARG A 54 -1.380 -11.462 -4.689 1.00 0.00 N ATOM 848 CA ARG A 54 -2.769 -11.904 -4.644 1.00 0.00 C ATOM 849 C ARG A 54 -3.718 -10.708 -4.654 1.00 0.00 C ATOM 850 O ARG A 54 -3.281 -9.562 -4.758 1.00 0.00 O ATOM 851 CB ARG A 54 -3.014 -12.758 -3.399 1.00 0.00 C ATOM 852 CG ARG A 54 -1.953 -13.823 -3.176 1.00 0.00 C ATOM 853 CD ARG A 54 -2.113 -14.980 -4.151 1.00 0.00 C ATOM 854 NE ARG A 54 -1.435 -16.188 -3.685 1.00 0.00 N ATOM 855 CZ ARG A 54 -1.820 -16.888 -2.618 1.00 0.00 C ATOM 856 NH1 ARG A 54 -2.874 -16.507 -1.909 1.00 0.00 N ATOM 857 NH2 ARG A 54 -1.148 -17.976 -2.262 1.00 0.00 N ATOM 0 H ARG A 54 -1.039 -11.049 -3.821 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.964 -12.507 -5.531 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.055 -12.108 -2.525 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -3.988 -13.239 -3.484 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.963 -13.382 -3.292 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.018 -14.195 -2.154 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.173 -15.191 -4.292 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.713 -14.692 -5.123 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.621 -16.514 -4.206 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -3.396 -15.673 -2.179 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -3.163 -17.048 -1.094 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.338 -18.276 -2.805 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -1.442 -18.512 -1.446 1.00 0.00 H new ATOM 871 N THR A 55 -5.019 -10.974 -4.544 1.00 0.00 N ATOM 872 CA THR A 55 -6.015 -9.908 -4.541 1.00 0.00 C ATOM 873 C THR A 55 -6.419 -9.541 -3.114 1.00 0.00 C ATOM 874 O THR A 55 -6.025 -10.210 -2.158 1.00 0.00 O ATOM 875 CB THR A 55 -7.250 -10.325 -5.345 1.00 0.00 C ATOM 876 OG1 THR A 55 -8.160 -9.246 -5.461 1.00 0.00 O ATOM 877 CG2 THR A 55 -7.999 -11.492 -4.737 1.00 0.00 C ATOM 0 H THR A 55 -5.405 -11.914 -4.456 1.00 0.00 H new ATOM 0 HA THR A 55 -5.569 -9.031 -5.009 1.00 0.00 H new ATOM 0 HB THR A 55 -6.868 -10.629 -6.320 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.880 -9.491 -6.079 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.862 -11.734 -5.358 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.339 -12.358 -4.680 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.336 -11.226 -3.735 1.00 0.00 H new ATOM 885 N LEU A 56 -7.202 -8.473 -2.974 1.00 0.00 N ATOM 886 CA LEU A 56 -7.651 -8.025 -1.654 1.00 0.00 C ATOM 887 C LEU A 56 -8.510 -9.090 -0.972 1.00 0.00 C ATOM 888 O LEU A 56 -8.189 -9.549 0.124 1.00 0.00 O ATOM 889 CB LEU A 56 -8.439 -6.712 -1.765 1.00 0.00 C ATOM 890 CG LEU A 56 -7.780 -5.501 -1.100 1.00 0.00 C ATOM 891 CD1 LEU A 56 -6.350 -5.333 -1.590 1.00 0.00 C ATOM 892 CD2 LEU A 56 -8.592 -4.240 -1.365 1.00 0.00 C ATOM 0 H LEU A 56 -7.538 -7.904 -3.751 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.763 -7.855 -1.045 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.594 -6.488 -2.820 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.424 -6.859 -1.322 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.753 -5.671 -0.024 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.899 -4.467 -1.106 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.775 -6.226 -1.346 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.350 -5.185 -2.670 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.109 -3.389 -0.885 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -8.652 -4.065 -2.439 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -9.597 -4.363 -0.961 1.00 0.00 H new ATOM 904 N SER A 57 -9.606 -9.473 -1.624 1.00 0.00 N ATOM 905 CA SER A 57 -10.517 -10.478 -1.075 1.00 0.00 C ATOM 906 C SER A 57 -9.784 -11.766 -0.683 1.00 0.00 C ATOM 907 O SER A 57 -10.213 -12.473 0.229 1.00 0.00 O ATOM 908 CB SER A 57 -11.625 -10.801 -2.082 1.00 0.00 C ATOM 909 OG SER A 57 -12.287 -12.008 -1.748 1.00 0.00 O ATOM 0 H SER A 57 -9.886 -9.103 -2.533 1.00 0.00 H new ATOM 0 HA SER A 57 -10.956 -10.054 -0.172 1.00 0.00 H new ATOM 0 HB2 SER A 57 -12.346 -9.984 -2.108 1.00 0.00 H new ATOM 0 HB3 SER A 57 -11.199 -10.882 -3.082 1.00 0.00 H new ATOM 0 HG SER A 57 -12.990 -12.189 -2.407 1.00 0.00 H new ATOM 915 N ASP A 58 -8.685 -12.076 -1.374 1.00 0.00 N ATOM 916 CA ASP A 58 -7.921 -13.290 -1.082 1.00 0.00 C ATOM 917 C ASP A 58 -7.533 -13.370 0.397 1.00 0.00 C ATOM 918 O ASP A 58 -7.552 -14.449 0.989 1.00 0.00 O ATOM 919 CB ASP A 58 -6.662 -13.360 -1.952 1.00 0.00 C ATOM 920 CG ASP A 58 -6.851 -14.243 -3.170 1.00 0.00 C ATOM 921 OD1 ASP A 58 -7.963 -14.241 -3.738 1.00 0.00 O ATOM 922 OD2 ASP A 58 -5.886 -14.936 -3.557 1.00 0.00 O ATOM 0 H ASP A 58 -8.307 -11.509 -2.133 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.564 -14.140 -1.313 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.389 -12.355 -2.274 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.832 -13.740 -1.356 1.00 0.00 H new ATOM 927 N TYR A 59 -7.178 -12.230 0.993 1.00 0.00 N ATOM 928 CA TYR A 59 -6.787 -12.202 2.400 1.00 0.00 C ATOM 929 C TYR A 59 -7.920 -11.687 3.295 1.00 0.00 C ATOM 930 O TYR A 59 -7.676 -11.247 4.418 1.00 0.00 O ATOM 931 CB TYR A 59 -5.544 -11.330 2.586 1.00 0.00 C ATOM 932 CG TYR A 59 -4.263 -11.997 2.136 1.00 0.00 C ATOM 933 CD1 TYR A 59 -3.999 -13.323 2.454 1.00 0.00 C ATOM 934 CD2 TYR A 59 -3.318 -11.300 1.394 1.00 0.00 C ATOM 935 CE1 TYR A 59 -2.830 -13.937 2.046 1.00 0.00 C ATOM 936 CE2 TYR A 59 -2.146 -11.907 0.981 1.00 0.00 C ATOM 937 CZ TYR A 59 -1.907 -13.224 1.310 1.00 0.00 C ATOM 938 OH TYR A 59 -0.742 -13.832 0.901 1.00 0.00 O ATOM 0 H TYR A 59 -7.154 -11.323 0.527 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.563 -13.226 2.698 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.675 -10.402 2.030 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.453 -11.061 3.638 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -4.720 -13.884 3.030 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -3.501 -10.268 1.135 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -2.640 -14.969 2.302 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -1.422 -11.352 0.404 1.00 0.00 H new ATOM 0 HH TYR A 59 -0.025 -13.166 0.852 1.00 0.00 H new ATOM 948 N ASN A 60 -9.159 -11.746 2.801 1.00 0.00 N ATOM 949 CA ASN A 60 -10.315 -11.288 3.568 1.00 0.00 C ATOM 950 C ASN A 60 -10.247 -9.787 3.879 1.00 0.00 C ATOM 951 O ASN A 60 -10.964 -9.304 4.754 1.00 0.00 O ATOM 952 CB ASN A 60 -10.426 -12.080 4.872 1.00 0.00 C ATOM 953 CG ASN A 60 -11.839 -12.087 5.427 1.00 0.00 C ATOM 954 OD1 ASN A 60 -12.139 -11.388 6.395 1.00 0.00 O ATOM 955 ND2 ASN A 60 -12.721 -12.878 4.817 1.00 0.00 N ATOM 0 H ASN A 60 -9.385 -12.106 1.874 1.00 0.00 H new ATOM 0 HA ASN A 60 -11.199 -11.458 2.954 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -10.101 -13.106 4.699 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.750 -11.652 5.612 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -13.684 -12.919 5.150 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -12.433 -13.442 4.018 1.00 0.00 H new ATOM 962 N ILE A 61 -9.398 -9.046 3.162 1.00 0.00 N ATOM 963 CA ILE A 61 -9.282 -7.608 3.386 1.00 0.00 C ATOM 964 C ILE A 61 -10.263 -6.839 2.502 1.00 0.00 C ATOM 965 O ILE A 61 -9.861 -6.159 1.558 1.00 0.00 O ATOM 966 CB ILE A 61 -7.846 -7.087 3.146 1.00 0.00 C ATOM 967 CG1 ILE A 61 -7.314 -7.527 1.779 1.00 0.00 C ATOM 968 CG2 ILE A 61 -6.921 -7.570 4.253 1.00 0.00 C ATOM 969 CD1 ILE A 61 -6.046 -6.808 1.369 1.00 0.00 C ATOM 0 H ILE A 61 -8.789 -9.415 2.431 1.00 0.00 H new ATOM 0 HA ILE A 61 -9.527 -7.437 4.434 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.877 -5.997 3.157 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -7.124 -8.600 1.799 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -8.082 -7.353 1.025 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.913 -7.197 4.073 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -7.279 -7.200 5.214 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -6.908 -8.660 4.266 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -5.724 -7.167 0.392 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -6.236 -5.736 1.317 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.264 -7.002 2.103 1.00 0.00 H new ATOM 981 N GLN A 62 -11.554 -6.959 2.810 1.00 0.00 N ATOM 982 CA GLN A 62 -12.592 -6.280 2.039 1.00 0.00 C ATOM 983 C GLN A 62 -12.972 -4.945 2.680 1.00 0.00 C ATOM 984 O GLN A 62 -12.343 -4.511 3.645 1.00 0.00 O ATOM 985 CB GLN A 62 -13.830 -7.176 1.914 1.00 0.00 C ATOM 986 CG GLN A 62 -13.501 -8.633 1.636 1.00 0.00 C ATOM 987 CD GLN A 62 -14.743 -9.477 1.409 1.00 0.00 C ATOM 988 OE1 GLN A 62 -15.131 -9.732 0.269 1.00 0.00 O ATOM 989 NE2 GLN A 62 -15.376 -9.918 2.494 1.00 0.00 N ATOM 0 H GLN A 62 -11.905 -7.519 3.587 1.00 0.00 H new ATOM 0 HA GLN A 62 -12.195 -6.078 1.044 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -14.409 -7.112 2.835 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -14.464 -6.796 1.113 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -12.858 -8.696 0.758 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -12.937 -9.041 2.475 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -15.022 -9.684 3.421 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -16.215 -10.490 2.398 1.00 0.00 H new ATOM 998 N LYS A 63 -14.000 -4.291 2.131 1.00 0.00 N ATOM 999 CA LYS A 63 -14.459 -2.999 2.648 1.00 0.00 C ATOM 1000 C LYS A 63 -14.568 -3.012 4.172 1.00 0.00 C ATOM 1001 O LYS A 63 -14.871 -4.042 4.773 1.00 0.00 O ATOM 1002 CB LYS A 63 -15.812 -2.625 2.035 1.00 0.00 C ATOM 1003 CG LYS A 63 -16.891 -3.673 2.257 1.00 0.00 C ATOM 1004 CD LYS A 63 -17.883 -3.236 3.322 1.00 0.00 C ATOM 1005 CE LYS A 63 -18.591 -1.950 2.929 1.00 0.00 C ATOM 1006 NZ LYS A 63 -19.886 -1.788 3.647 1.00 0.00 N ATOM 0 H LYS A 63 -14.529 -4.635 1.330 1.00 0.00 H new ATOM 0 HA LYS A 63 -13.717 -2.252 2.365 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -16.144 -1.678 2.459 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -15.685 -2.467 0.964 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -17.418 -3.857 1.321 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -16.429 -4.615 2.553 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -18.619 -4.024 3.480 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -17.362 -3.091 4.269 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -17.946 -1.099 3.147 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -18.769 -1.948 1.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -20.338 -0.899 3.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -20.512 -2.587 3.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -19.714 -1.765 4.672 1.00 0.00 H new ATOM 1020 N GLU A 64 -14.314 -1.858 4.792 1.00 0.00 N ATOM 1021 CA GLU A 64 -14.380 -1.731 6.247 1.00 0.00 C ATOM 1022 C GLU A 64 -13.306 -2.576 6.942 1.00 0.00 C ATOM 1023 O GLU A 64 -13.391 -2.819 8.146 1.00 0.00 O ATOM 1024 CB GLU A 64 -15.766 -2.138 6.752 1.00 0.00 C ATOM 1025 CG GLU A 64 -16.714 -0.965 6.943 1.00 0.00 C ATOM 1026 CD GLU A 64 -16.962 -0.649 8.405 1.00 0.00 C ATOM 1027 OE1 GLU A 64 -17.178 -1.596 9.189 1.00 0.00 O ATOM 1028 OE2 GLU A 64 -16.942 0.546 8.766 1.00 0.00 O ATOM 0 H GLU A 64 -14.060 -0.997 4.307 1.00 0.00 H new ATOM 0 HA GLU A 64 -14.195 -0.685 6.492 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -16.209 -2.841 6.046 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -15.658 -2.665 7.700 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -16.301 -0.085 6.450 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -17.664 -1.187 6.457 1.00 0.00 H new ATOM 1035 N SER A 65 -12.294 -3.019 6.192 1.00 0.00 N ATOM 1036 CA SER A 65 -11.221 -3.826 6.766 1.00 0.00 C ATOM 1037 C SER A 65 -10.255 -2.958 7.570 1.00 0.00 C ATOM 1038 O SER A 65 -10.280 -1.732 7.471 1.00 0.00 O ATOM 1039 CB SER A 65 -10.459 -4.570 5.667 1.00 0.00 C ATOM 1040 OG SER A 65 -11.076 -5.811 5.370 1.00 0.00 O ATOM 0 H SER A 65 -12.197 -2.833 5.194 1.00 0.00 H new ATOM 0 HA SER A 65 -11.675 -4.555 7.437 1.00 0.00 H new ATOM 0 HB2 SER A 65 -10.419 -3.955 4.768 1.00 0.00 H new ATOM 0 HB3 SER A 65 -9.430 -4.738 5.984 1.00 0.00 H new ATOM 0 HG SER A 65 -11.928 -5.652 4.913 1.00 0.00 H new ATOM 1046 N THR A 66 -9.397 -3.602 8.359 1.00 0.00 N ATOM 1047 CA THR A 66 -8.416 -2.887 9.164 1.00 0.00 C ATOM 1048 C THR A 66 -7.021 -3.050 8.565 1.00 0.00 C ATOM 1049 O THR A 66 -6.272 -3.946 8.953 1.00 0.00 O ATOM 1050 CB THR A 66 -8.433 -3.397 10.607 1.00 0.00 C ATOM 1051 OG1 THR A 66 -7.458 -2.726 11.387 1.00 0.00 O ATOM 1052 CG2 THR A 66 -8.168 -4.882 10.721 1.00 0.00 C ATOM 0 H THR A 66 -9.363 -4.617 8.456 1.00 0.00 H new ATOM 0 HA THR A 66 -8.676 -1.829 9.166 1.00 0.00 H new ATOM 0 HB THR A 66 -9.440 -3.195 10.972 1.00 0.00 H new ATOM 0 HG1 THR A 66 -7.485 -3.064 12.306 1.00 0.00 H new ATOM 0 HG21 THR A 66 -8.194 -5.177 11.770 1.00 0.00 H new ATOM 0 HG22 THR A 66 -8.932 -5.431 10.170 1.00 0.00 H new ATOM 0 HG23 THR A 66 -7.187 -5.109 10.305 1.00 0.00 H new ATOM 1060 N LEU A 67 -6.682 -2.187 7.608 1.00 0.00 N ATOM 1061 CA LEU A 67 -5.381 -2.255 6.949 1.00 0.00 C ATOM 1062 C LEU A 67 -4.401 -1.243 7.541 1.00 0.00 C ATOM 1063 O LEU A 67 -4.593 -0.033 7.413 1.00 0.00 O ATOM 1064 CB LEU A 67 -5.536 -2.007 5.447 1.00 0.00 C ATOM 1065 CG LEU A 67 -5.807 -3.255 4.607 1.00 0.00 C ATOM 1066 CD1 LEU A 67 -7.270 -3.655 4.703 1.00 0.00 C ATOM 1067 CD2 LEU A 67 -5.410 -3.018 3.157 1.00 0.00 C ATOM 0 H LEU A 67 -7.287 -1.437 7.274 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.978 -3.254 7.113 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.352 -1.301 5.294 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.628 -1.530 5.078 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.202 -4.073 4.999 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -7.444 -4.545 4.099 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -7.522 -3.867 5.742 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -7.895 -2.840 4.337 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.610 -3.917 2.574 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -5.988 -2.187 2.753 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.348 -2.780 3.105 1.00 0.00 H new ATOM 1079 N HIS A 68 -3.346 -1.745 8.181 1.00 0.00 N ATOM 1080 CA HIS A 68 -2.333 -0.885 8.779 1.00 0.00 C ATOM 1081 C HIS A 68 -1.044 -0.923 7.960 1.00 0.00 C ATOM 1082 O HIS A 68 -0.477 -1.993 7.735 1.00 0.00 O ATOM 1083 CB HIS A 68 -2.053 -1.314 10.222 1.00 0.00 C ATOM 1084 CG HIS A 68 -1.935 -0.165 11.173 1.00 0.00 C ATOM 1085 ND1 HIS A 68 -2.978 0.695 11.450 1.00 0.00 N ATOM 1086 CD2 HIS A 68 -0.888 0.265 11.917 1.00 0.00 C ATOM 1087 CE1 HIS A 68 -2.577 1.603 12.321 1.00 0.00 C ATOM 1088 NE2 HIS A 68 -1.314 1.365 12.620 1.00 0.00 N ATOM 0 H HIS A 68 -3.173 -2.743 8.297 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.711 0.137 8.784 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -2.853 -1.973 10.559 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.130 -1.893 10.248 1.00 0.00 H new ATOM 0 HD2 HIS A 68 0.098 -0.175 11.951 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -3.180 2.404 12.721 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -0.746 1.910 13.269 1.00 0.00 H new ATOM 1097 N LEU A 69 -0.584 0.243 7.512 1.00 0.00 N ATOM 1098 CA LEU A 69 0.638 0.322 6.716 1.00 0.00 C ATOM 1099 C LEU A 69 1.851 0.600 7.600 1.00 0.00 C ATOM 1100 O LEU A 69 1.768 1.370 8.558 1.00 0.00 O ATOM 1101 CB LEU A 69 0.507 1.408 5.644 1.00 0.00 C ATOM 1102 CG LEU A 69 0.132 0.900 4.252 1.00 0.00 C ATOM 1103 CD1 LEU A 69 -0.681 1.944 3.503 1.00 0.00 C ATOM 1104 CD2 LEU A 69 1.380 0.530 3.466 1.00 0.00 C ATOM 0 H LEU A 69 -1.036 1.141 7.685 1.00 0.00 H new ATOM 0 HA LEU A 69 0.785 -0.641 6.228 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.246 2.127 5.967 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.453 1.946 5.575 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.481 0.006 4.366 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.938 1.564 2.514 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.594 2.161 4.058 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.094 2.857 3.399 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.094 0.170 2.478 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.018 1.408 3.362 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.924 -0.254 3.994 1.00 0.00 H new ATOM 1116 N VAL A 70 2.980 -0.029 7.274 1.00 0.00 N ATOM 1117 CA VAL A 70 4.205 0.155 8.041 1.00 0.00 C ATOM 1118 C VAL A 70 5.278 0.853 7.205 1.00 0.00 C ATOM 1119 O VAL A 70 5.285 0.747 5.979 1.00 0.00 O ATOM 1120 CB VAL A 70 4.755 -1.193 8.550 1.00 0.00 C ATOM 1121 CG1 VAL A 70 5.102 -2.105 7.385 1.00 0.00 C ATOM 1122 CG2 VAL A 70 5.964 -0.975 9.448 1.00 0.00 C ATOM 0 H VAL A 70 3.069 -0.669 6.485 1.00 0.00 H new ATOM 0 HA VAL A 70 3.954 0.781 8.897 1.00 0.00 H new ATOM 0 HB VAL A 70 3.978 -1.679 9.140 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.488 -3.051 7.766 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.208 -2.291 6.790 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.859 -1.628 6.763 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.337 -1.938 9.796 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.747 -0.464 8.887 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.676 -0.366 10.305 1.00 0.00 H new ATOM 1132 N LEU A 71 6.182 1.566 7.874 1.00 0.00 N ATOM 1133 CA LEU A 71 7.255 2.275 7.180 1.00 0.00 C ATOM 1134 C LEU A 71 8.358 1.307 6.755 1.00 0.00 C ATOM 1135 O LEU A 71 9.309 1.072 7.499 1.00 0.00 O ATOM 1136 CB LEU A 71 7.841 3.373 8.072 1.00 0.00 C ATOM 1137 CG LEU A 71 8.516 4.524 7.324 1.00 0.00 C ATOM 1138 CD1 LEU A 71 9.631 4.000 6.433 1.00 0.00 C ATOM 1139 CD2 LEU A 71 7.494 5.296 6.503 1.00 0.00 C ATOM 0 H LEU A 71 6.193 1.668 8.889 1.00 0.00 H new ATOM 0 HA LEU A 71 6.831 2.735 6.288 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.042 3.781 8.691 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.569 2.922 8.747 1.00 0.00 H new ATOM 0 HG LEU A 71 8.953 5.203 8.057 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.100 4.833 5.909 1.00 0.00 H new ATOM 0 HD12 LEU A 71 10.376 3.490 7.044 1.00 0.00 H new ATOM 0 HD13 LEU A 71 9.218 3.300 5.706 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.991 6.111 5.977 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.029 4.627 5.779 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.729 5.703 7.164 1.00 0.00 H new ATOM 1151 N ARG A 72 8.226 0.749 5.552 1.00 0.00 N ATOM 1152 CA ARG A 72 9.216 -0.191 5.036 1.00 0.00 C ATOM 1153 C ARG A 72 10.269 0.532 4.199 1.00 0.00 C ATOM 1154 O ARG A 72 10.066 0.775 3.010 1.00 0.00 O ATOM 1155 CB ARG A 72 8.538 -1.277 4.197 1.00 0.00 C ATOM 1156 CG ARG A 72 9.317 -2.581 4.145 1.00 0.00 C ATOM 1157 CD ARG A 72 9.296 -3.296 5.488 1.00 0.00 C ATOM 1158 NE ARG A 72 10.587 -3.908 5.810 1.00 0.00 N ATOM 1159 CZ ARG A 72 10.967 -4.228 7.047 1.00 0.00 C ATOM 1160 NH1 ARG A 72 10.161 -4.002 8.077 1.00 0.00 N ATOM 1161 NH2 ARG A 72 12.156 -4.777 7.255 1.00 0.00 N ATOM 0 H ARG A 72 7.446 0.932 4.920 1.00 0.00 H new ATOM 0 HA ARG A 72 9.711 -0.659 5.887 1.00 0.00 H new ATOM 0 HB2 ARG A 72 7.546 -1.472 4.604 1.00 0.00 H new ATOM 0 HB3 ARG A 72 8.399 -0.906 3.182 1.00 0.00 H new ATOM 0 HG2 ARG A 72 8.892 -3.230 3.379 1.00 0.00 H new ATOM 0 HG3 ARG A 72 10.348 -2.379 3.855 1.00 0.00 H new ATOM 0 HD2 ARG A 72 9.027 -2.587 6.271 1.00 0.00 H new ATOM 0 HD3 ARG A 72 8.524 -4.066 5.476 1.00 0.00 H new ATOM 0 HE ARG A 72 11.232 -4.100 5.044 1.00 0.00 H new ATOM 0 HH11 ARG A 72 9.245 -3.581 7.925 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.458 -4.249 9.021 1.00 0.00 H new ATOM 0 HH21 ARG A 72 12.780 -4.955 6.468 1.00 0.00 H new ATOM 0 HH22 ARG A 72 12.446 -5.022 8.202 1.00 0.00 H new ATOM 1175 N LEU A 73 11.395 0.873 4.825 1.00 0.00 N ATOM 1176 CA LEU A 73 12.473 1.567 4.127 1.00 0.00 C ATOM 1177 C LEU A 73 13.312 0.586 3.310 1.00 0.00 C ATOM 1178 O LEU A 73 13.433 0.726 2.093 1.00 0.00 O ATOM 1179 CB LEU A 73 13.365 2.313 5.123 1.00 0.00 C ATOM 1180 CG LEU A 73 12.921 3.741 5.446 1.00 0.00 C ATOM 1181 CD1 LEU A 73 13.230 4.081 6.896 1.00 0.00 C ATOM 1182 CD2 LEU A 73 13.594 4.731 4.509 1.00 0.00 C ATOM 0 H LEU A 73 11.583 0.681 5.809 1.00 0.00 H new ATOM 0 HA LEU A 73 12.022 2.289 3.446 1.00 0.00 H new ATOM 0 HB2 LEU A 73 13.404 1.742 6.051 1.00 0.00 H new ATOM 0 HB3 LEU A 73 14.379 2.345 4.726 1.00 0.00 H new ATOM 0 HG LEU A 73 11.843 3.809 5.301 1.00 0.00 H new ATOM 0 HD11 LEU A 73 12.907 5.100 7.107 1.00 0.00 H new ATOM 0 HD12 LEU A 73 12.702 3.390 7.552 1.00 0.00 H new ATOM 0 HD13 LEU A 73 14.303 3.997 7.069 1.00 0.00 H new ATOM 0 HD21 LEU A 73 13.267 5.742 4.752 1.00 0.00 H new ATOM 0 HD22 LEU A 73 14.676 4.662 4.623 1.00 0.00 H new ATOM 0 HD23 LEU A 73 13.322 4.500 3.479 1.00 0.00 H new ATOM 1194 N ARG A 74 13.889 -0.408 3.983 1.00 0.00 N ATOM 1195 CA ARG A 74 14.713 -1.407 3.310 1.00 0.00 C ATOM 1196 C ARG A 74 13.865 -2.592 2.851 1.00 0.00 C ATOM 1197 O ARG A 74 12.916 -2.985 3.529 1.00 0.00 O ATOM 1198 CB ARG A 74 15.830 -1.893 4.236 1.00 0.00 C ATOM 1199 CG ARG A 74 17.090 -1.045 4.166 1.00 0.00 C ATOM 1200 CD ARG A 74 17.976 -1.457 3.001 1.00 0.00 C ATOM 1201 NE ARG A 74 18.550 -0.303 2.315 1.00 0.00 N ATOM 1202 CZ ARG A 74 19.417 0.538 2.877 1.00 0.00 C ATOM 1203 NH1 ARG A 74 19.812 0.354 4.132 1.00 0.00 N ATOM 1204 NH2 ARG A 74 19.893 1.564 2.185 1.00 0.00 N ATOM 0 H ARG A 74 13.801 -0.542 4.990 1.00 0.00 H new ATOM 0 HA ARG A 74 15.159 -0.939 2.433 1.00 0.00 H new ATOM 0 HB2 ARG A 74 15.463 -1.899 5.262 1.00 0.00 H new ATOM 0 HB3 ARG A 74 16.080 -2.923 3.981 1.00 0.00 H new ATOM 0 HG2 ARG A 74 16.817 0.005 4.063 1.00 0.00 H new ATOM 0 HG3 ARG A 74 17.646 -1.140 5.099 1.00 0.00 H new ATOM 0 HD2 ARG A 74 18.779 -2.098 3.365 1.00 0.00 H new ATOM 0 HD3 ARG A 74 17.393 -2.046 2.293 1.00 0.00 H new ATOM 0 HE ARG A 74 18.271 -0.131 1.349 1.00 0.00 H new ATOM 0 HH11 ARG A 74 19.451 -0.434 4.670 1.00 0.00 H new ATOM 0 HH12 ARG A 74 20.476 1.001 4.558 1.00 0.00 H new ATOM 0 HH21 ARG A 74 19.595 1.711 1.220 1.00 0.00 H new ATOM 0 HH22 ARG A 74 20.557 2.207 2.617 1.00 0.00 H new ATOM 1218 N GLY A 75 14.212 -3.160 1.697 1.00 0.00 N ATOM 1219 CA GLY A 75 13.467 -4.292 1.177 1.00 0.00 C ATOM 1220 C GLY A 75 14.362 -5.318 0.506 1.00 0.00 C ATOM 1221 O GLY A 75 15.587 -5.225 0.585 1.00 0.00 O ATOM 0 H GLY A 75 14.993 -2.856 1.116 1.00 0.00 H new ATOM 0 HA2 GLY A 75 12.921 -4.768 1.991 1.00 0.00 H new ATOM 0 HA3 GLY A 75 12.726 -3.937 0.461 1.00 0.00 H new ATOM 1225 N GLY A 76 13.753 -6.300 -0.157 1.00 0.00 N ATOM 1226 CA GLY A 76 14.525 -7.326 -0.831 1.00 0.00 C ATOM 1227 C GLY A 76 15.293 -8.205 0.137 1.00 0.00 C ATOM 1228 O GLY A 76 16.539 -8.122 0.152 1.00 0.00 O ATOM 1229 OXT GLY A 76 14.649 -8.974 0.881 1.00 0.00 O ATOM 0 H GLY A 76 12.741 -6.401 -0.238 1.00 0.00 H new ATOM 0 HA2 GLY A 76 13.856 -7.946 -1.428 1.00 0.00 H new ATOM 0 HA3 GLY A 76 15.224 -6.855 -1.522 1.00 0.00 H new TER 1233 GLY A 76