USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 583 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 5 THR OG1 : rot -146:sc= 0.49! USER MOD Set 1.2: A 8 GLN : amide:sc= -1.65 K(o=-1.2,f=-8.3!) USER MOD Single : A 1 ALA N :NH3+ -167:sc= -0.0643 (180deg=-0.399) USER MOD Single : A 3 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 10 SER OG : rot 180:sc= -0.377 USER MOD Single : A 13 LYS NZ :NH3+ 161:sc= -0.198 (180deg=-1.05) USER MOD Single : A 17 SER OG : rot 74:sc= 0.251 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 CYS SG : rot 180:sc= -1.08 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0318 USER MOD Single : A 30 LYS NZ :NH3+ 161:sc= -0.0368 (180deg=-0.381) USER MOD Single : A 34 THR OG1 : rot 68:sc= 0.511 USER MOD Single : A 36 MET CE :methyl 165:sc= -0.252 (180deg=-0.832) USER MOD Single : A 38 SER OG : rot -16:sc= 1.04 USER MOD Single : A 41 GLN : amide:sc= -0.158 X(o=-0.16,f=-0.44) USER MOD Single : A 42 ASN :FLIP amide:sc= -0.885 F(o=-2.6,f=-0.88) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0702 USER MOD Single : A 49 GLN : amide:sc= -0.0661 K(o=-0.066,f=-1.6!) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -2.54 K(o=-2.5,f=-3.1!) USER MOD Single : A 60 ASN :FLIP amide:sc= -0.0322 F(o=-1.3,f=-0.032) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.0241 K(o=-0.024,f=-1.6!) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -164:sc= -0.018 (180deg=-0.354) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -19.337 1.153 -8.025 1.00 0.00 N ATOM 2 CA ALA A 1 -18.865 2.010 -9.151 1.00 0.00 C ATOM 3 C ALA A 1 -18.748 1.162 -10.409 1.00 0.00 C ATOM 4 O ALA A 1 -18.766 1.682 -11.526 1.00 0.00 O ATOM 5 CB ALA A 1 -17.502 2.611 -8.798 1.00 0.00 C ATOM 0 H1 ALA A 1 -19.629 1.755 -7.229 1.00 0.00 H new ATOM 0 H2 ALA A 1 -20.146 0.580 -8.340 1.00 0.00 H new ATOM 0 H3 ALA A 1 -18.566 0.525 -7.720 1.00 0.00 H new ATOM 0 HA ALA A 1 -19.576 2.818 -9.324 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -17.157 3.237 -9.620 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -17.594 3.215 -7.895 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -16.784 1.809 -8.626 1.00 0.00 H new ATOM 13 N ASP A 2 -18.632 -0.148 -10.220 1.00 0.00 N ATOM 14 CA ASP A 2 -18.517 -1.072 -11.343 1.00 0.00 C ATOM 15 C ASP A 2 -19.055 -2.445 -10.950 1.00 0.00 C ATOM 16 O ASP A 2 -20.246 -2.599 -10.694 1.00 0.00 O ATOM 17 CB ASP A 2 -17.053 -1.182 -11.781 1.00 0.00 C ATOM 18 CG ASP A 2 -16.938 -2.101 -12.990 1.00 0.00 C ATOM 19 OD1 ASP A 2 -17.939 -2.693 -13.356 1.00 0.00 O ATOM 20 OD2 ASP A 2 -15.852 -2.197 -13.535 1.00 0.00 O ATOM 0 H ASP A 2 -18.615 -0.593 -9.302 1.00 0.00 H new ATOM 0 HA ASP A 2 -19.107 -0.692 -12.177 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -16.663 -0.194 -12.027 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -16.448 -1.569 -10.961 1.00 0.00 H new ATOM 25 N GLN A 3 -18.176 -3.446 -10.912 1.00 0.00 N ATOM 26 CA GLN A 3 -18.587 -4.812 -10.555 1.00 0.00 C ATOM 27 C GLN A 3 -17.613 -5.447 -9.562 1.00 0.00 C ATOM 28 O GLN A 3 -17.144 -6.565 -9.770 1.00 0.00 O ATOM 29 CB GLN A 3 -18.649 -5.676 -11.815 1.00 0.00 C ATOM 30 CG GLN A 3 -19.822 -5.233 -12.691 1.00 0.00 C ATOM 31 CD GLN A 3 -19.865 -6.066 -13.969 1.00 0.00 C ATOM 32 OE1 GLN A 3 -19.044 -6.965 -14.153 1.00 0.00 O ATOM 33 NE2 GLN A 3 -20.785 -5.826 -14.863 1.00 0.00 N ATOM 0 H GLN A 3 -17.183 -3.343 -11.121 1.00 0.00 H new ATOM 0 HA GLN A 3 -19.570 -4.754 -10.087 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -17.716 -5.591 -12.371 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -18.763 -6.725 -11.542 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -20.758 -5.345 -12.143 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -19.722 -4.176 -12.939 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -21.464 -5.081 -14.709 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -20.825 -6.384 -15.716 1.00 0.00 H new ATOM 42 N LEU A 4 -17.315 -4.732 -8.478 1.00 0.00 N ATOM 43 CA LEU A 4 -16.391 -5.236 -7.456 1.00 0.00 C ATOM 44 C LEU A 4 -17.155 -5.842 -6.281 1.00 0.00 C ATOM 45 O LEU A 4 -18.379 -5.748 -6.217 1.00 0.00 O ATOM 46 CB LEU A 4 -15.493 -4.084 -6.974 1.00 0.00 C ATOM 47 CG LEU A 4 -14.325 -3.882 -7.958 1.00 0.00 C ATOM 48 CD1 LEU A 4 -13.315 -5.051 -7.845 1.00 0.00 C ATOM 49 CD2 LEU A 4 -14.859 -3.800 -9.401 1.00 0.00 C ATOM 0 H LEU A 4 -17.696 -3.806 -8.283 1.00 0.00 H new ATOM 0 HA LEU A 4 -15.774 -6.022 -7.892 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -16.076 -3.166 -6.894 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -15.107 -4.304 -5.979 1.00 0.00 H new ATOM 0 HG LEU A 4 -13.818 -2.950 -7.706 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -12.496 -4.893 -8.547 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -12.920 -5.094 -6.830 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -13.817 -5.990 -8.079 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -14.026 -3.657 -10.090 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -15.380 -4.724 -9.649 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -15.549 -2.960 -9.487 1.00 0.00 H new ATOM 61 N THR A 5 -16.422 -6.480 -5.358 1.00 0.00 N ATOM 62 CA THR A 5 -17.043 -7.114 -4.188 1.00 0.00 C ATOM 63 C THR A 5 -16.641 -6.411 -2.898 1.00 0.00 C ATOM 64 O THR A 5 -15.745 -5.570 -2.885 1.00 0.00 O ATOM 65 CB THR A 5 -16.623 -8.585 -4.092 1.00 0.00 C ATOM 66 OG1 THR A 5 -15.333 -8.671 -3.507 1.00 0.00 O ATOM 67 CG2 THR A 5 -16.601 -9.215 -5.484 1.00 0.00 C ATOM 0 H THR A 5 -15.407 -6.570 -5.398 1.00 0.00 H new ATOM 0 HA THR A 5 -18.123 -7.039 -4.315 1.00 0.00 H new ATOM 0 HB THR A 5 -17.340 -9.123 -3.472 1.00 0.00 H new ATOM 0 HG1 THR A 5 -14.847 -9.428 -3.895 1.00 0.00 H new ATOM 0 HG21 THR A 5 -16.301 -10.260 -5.406 1.00 0.00 H new ATOM 0 HG22 THR A 5 -17.595 -9.155 -5.926 1.00 0.00 H new ATOM 0 HG23 THR A 5 -15.890 -8.680 -6.114 1.00 0.00 H new ATOM 75 N ASP A 6 -17.302 -6.793 -1.815 1.00 0.00 N ATOM 76 CA ASP A 6 -17.004 -6.235 -0.503 1.00 0.00 C ATOM 77 C ASP A 6 -15.760 -6.897 0.064 1.00 0.00 C ATOM 78 O ASP A 6 -14.983 -6.284 0.796 1.00 0.00 O ATOM 79 CB ASP A 6 -18.175 -6.482 0.449 1.00 0.00 C ATOM 80 CG ASP A 6 -19.382 -5.660 0.017 1.00 0.00 C ATOM 81 OD1 ASP A 6 -19.204 -4.762 -0.789 1.00 0.00 O ATOM 82 OD2 ASP A 6 -20.468 -5.945 0.494 1.00 0.00 O ATOM 0 H ASP A 6 -18.049 -7.488 -1.818 1.00 0.00 H new ATOM 0 HA ASP A 6 -16.838 -5.163 -0.607 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -18.431 -7.542 0.457 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -17.889 -6.216 1.467 1.00 0.00 H new ATOM 87 N GLU A 7 -15.595 -8.170 -0.274 1.00 0.00 N ATOM 88 CA GLU A 7 -14.461 -8.948 0.204 1.00 0.00 C ATOM 89 C GLU A 7 -13.146 -8.360 -0.287 1.00 0.00 C ATOM 90 O GLU A 7 -12.183 -8.250 0.472 1.00 0.00 O ATOM 91 CB GLU A 7 -14.576 -10.386 -0.296 1.00 0.00 C ATOM 92 CG GLU A 7 -15.768 -11.070 0.372 1.00 0.00 C ATOM 93 CD GLU A 7 -15.942 -12.474 -0.198 1.00 0.00 C ATOM 94 OE1 GLU A 7 -15.103 -12.878 -0.987 1.00 0.00 O ATOM 95 OE2 GLU A 7 -16.907 -13.126 0.165 1.00 0.00 O ATOM 0 H GLU A 7 -16.234 -8.686 -0.879 1.00 0.00 H new ATOM 0 HA GLU A 7 -14.472 -8.924 1.294 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -14.699 -10.396 -1.379 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -13.659 -10.933 -0.074 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -15.613 -11.121 1.450 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -16.673 -10.486 0.208 1.00 0.00 H new ATOM 102 N GLN A 8 -13.109 -7.975 -1.555 1.00 0.00 N ATOM 103 CA GLN A 8 -11.903 -7.400 -2.118 1.00 0.00 C ATOM 104 C GLN A 8 -11.636 -6.043 -1.484 1.00 0.00 C ATOM 105 O GLN A 8 -10.490 -5.645 -1.305 1.00 0.00 O ATOM 106 CB GLN A 8 -12.054 -7.259 -3.645 1.00 0.00 C ATOM 107 CG GLN A 8 -11.714 -8.588 -4.331 1.00 0.00 C ATOM 108 CD GLN A 8 -12.629 -9.698 -3.821 1.00 0.00 C ATOM 109 OE1 GLN A 8 -13.637 -10.012 -4.454 1.00 0.00 O ATOM 110 NE2 GLN A 8 -12.335 -10.317 -2.710 1.00 0.00 N ATOM 0 H GLN A 8 -13.892 -8.050 -2.204 1.00 0.00 H new ATOM 0 HA GLN A 8 -11.059 -8.057 -1.910 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -13.074 -6.963 -3.892 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -11.396 -6.472 -4.013 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -11.822 -8.486 -5.411 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -10.673 -8.848 -4.138 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -11.499 -10.056 -2.186 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -12.941 -11.062 -2.365 1.00 0.00 H new ATOM 119 N ILE A 9 -12.706 -5.359 -1.105 1.00 0.00 N ATOM 120 CA ILE A 9 -12.575 -4.064 -0.458 1.00 0.00 C ATOM 121 C ILE A 9 -12.250 -4.243 1.015 1.00 0.00 C ATOM 122 O ILE A 9 -11.285 -3.676 1.521 1.00 0.00 O ATOM 123 CB ILE A 9 -13.866 -3.269 -0.634 1.00 0.00 C ATOM 124 CG1 ILE A 9 -14.116 -3.055 -2.130 1.00 0.00 C ATOM 125 CG2 ILE A 9 -13.729 -1.915 0.061 1.00 0.00 C ATOM 126 CD1 ILE A 9 -15.525 -2.504 -2.343 1.00 0.00 C ATOM 0 H ILE A 9 -13.667 -5.677 -1.233 1.00 0.00 H new ATOM 0 HA ILE A 9 -11.758 -3.512 -0.921 1.00 0.00 H new ATOM 0 HB ILE A 9 -14.701 -3.815 -0.195 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -13.379 -2.362 -2.536 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -13.998 -3.996 -2.667 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -14.651 -1.347 -0.064 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -13.539 -2.069 1.123 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -12.899 -1.362 -0.379 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -15.699 -2.353 -3.408 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -16.256 -3.212 -1.953 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -15.627 -1.553 -1.820 1.00 0.00 H new ATOM 138 N SER A 10 -13.065 -5.020 1.714 1.00 0.00 N ATOM 139 CA SER A 10 -12.837 -5.240 3.123 1.00 0.00 C ATOM 140 C SER A 10 -11.457 -5.853 3.342 1.00 0.00 C ATOM 141 O SER A 10 -10.701 -5.402 4.205 1.00 0.00 O ATOM 142 CB SER A 10 -13.908 -6.176 3.663 1.00 0.00 C ATOM 143 OG SER A 10 -13.479 -7.522 3.506 1.00 0.00 O ATOM 0 H SER A 10 -13.878 -5.500 1.329 1.00 0.00 H new ATOM 0 HA SER A 10 -12.884 -4.287 3.649 1.00 0.00 H new ATOM 0 HB2 SER A 10 -14.096 -5.963 4.715 1.00 0.00 H new ATOM 0 HB3 SER A 10 -14.847 -6.017 3.132 1.00 0.00 H new ATOM 0 HG SER A 10 -14.167 -8.127 3.854 1.00 0.00 H new ATOM 149 N GLU A 11 -11.122 -6.867 2.546 1.00 0.00 N ATOM 150 CA GLU A 11 -9.816 -7.512 2.667 1.00 0.00 C ATOM 151 C GLU A 11 -8.719 -6.481 2.440 1.00 0.00 C ATOM 152 O GLU A 11 -7.719 -6.464 3.158 1.00 0.00 O ATOM 153 CB GLU A 11 -9.683 -8.638 1.638 1.00 0.00 C ATOM 154 CG GLU A 11 -8.341 -9.364 1.811 1.00 0.00 C ATOM 155 CD GLU A 11 -8.227 -10.485 0.778 1.00 0.00 C ATOM 156 OE1 GLU A 11 -9.017 -10.488 -0.151 1.00 0.00 O ATOM 157 OE2 GLU A 11 -7.350 -11.320 0.930 1.00 0.00 O ATOM 0 H GLU A 11 -11.726 -7.255 1.821 1.00 0.00 H new ATOM 0 HA GLU A 11 -9.721 -7.936 3.667 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -10.504 -9.345 1.755 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -9.755 -8.229 0.630 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.517 -8.660 1.691 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.265 -9.775 2.818 1.00 0.00 H new ATOM 164 N PHE A 12 -8.920 -5.606 1.458 1.00 0.00 N ATOM 165 CA PHE A 12 -7.959 -4.554 1.176 1.00 0.00 C ATOM 166 C PHE A 12 -7.850 -3.613 2.373 1.00 0.00 C ATOM 167 O PHE A 12 -6.756 -3.251 2.803 1.00 0.00 O ATOM 168 CB PHE A 12 -8.461 -3.782 -0.050 1.00 0.00 C ATOM 169 CG PHE A 12 -8.188 -4.530 -1.348 1.00 0.00 C ATOM 170 CD1 PHE A 12 -7.861 -5.908 -1.377 1.00 0.00 C ATOM 171 CD2 PHE A 12 -8.284 -3.825 -2.551 1.00 0.00 C ATOM 172 CE1 PHE A 12 -7.627 -6.539 -2.601 1.00 0.00 C ATOM 173 CE2 PHE A 12 -8.048 -4.464 -3.764 1.00 0.00 C ATOM 174 CZ PHE A 12 -7.717 -5.812 -3.792 1.00 0.00 C ATOM 0 H PHE A 12 -9.738 -5.608 0.849 1.00 0.00 H new ATOM 0 HA PHE A 12 -6.974 -4.979 0.984 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -9.532 -3.604 0.047 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -7.978 -2.806 -0.086 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -7.793 -6.469 -0.456 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -8.543 -2.777 -2.539 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -7.376 -7.589 -2.627 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -8.123 -3.909 -4.688 1.00 0.00 H new ATOM 0 HZ PHE A 12 -7.528 -6.301 -4.737 1.00 0.00 H new ATOM 184 N LYS A 13 -9.005 -3.223 2.889 1.00 0.00 N ATOM 185 CA LYS A 13 -9.090 -2.314 4.024 1.00 0.00 C ATOM 186 C LYS A 13 -8.447 -2.917 5.272 1.00 0.00 C ATOM 187 O LYS A 13 -7.713 -2.233 5.991 1.00 0.00 O ATOM 188 CB LYS A 13 -10.572 -2.013 4.280 1.00 0.00 C ATOM 189 CG LYS A 13 -10.733 -0.703 5.051 1.00 0.00 C ATOM 190 CD LYS A 13 -12.221 -0.361 5.133 1.00 0.00 C ATOM 191 CE LYS A 13 -12.414 0.942 5.902 1.00 0.00 C ATOM 192 NZ LYS A 13 -11.392 1.939 5.466 1.00 0.00 N ATOM 0 H LYS A 13 -9.911 -3.527 2.533 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.547 -1.397 3.796 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -11.104 -1.950 3.331 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -11.022 -2.830 4.844 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -10.312 -0.800 6.052 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.188 0.098 4.552 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -12.637 -0.266 4.130 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -12.762 -1.168 5.627 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -13.416 1.334 5.727 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -12.325 0.760 6.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.704 2.895 5.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.484 1.731 5.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -11.274 1.887 4.434 1.00 0.00 H new ATOM 206 N GLU A 14 -8.710 -4.193 5.526 1.00 0.00 N ATOM 207 CA GLU A 14 -8.129 -4.851 6.688 1.00 0.00 C ATOM 208 C GLU A 14 -6.613 -4.865 6.548 1.00 0.00 C ATOM 209 O GLU A 14 -5.884 -4.620 7.508 1.00 0.00 O ATOM 210 CB GLU A 14 -8.651 -6.289 6.794 1.00 0.00 C ATOM 211 CG GLU A 14 -8.338 -6.859 8.183 1.00 0.00 C ATOM 212 CD GLU A 14 -6.838 -7.097 8.326 1.00 0.00 C ATOM 213 OE1 GLU A 14 -6.217 -7.436 7.332 1.00 0.00 O ATOM 214 OE2 GLU A 14 -6.334 -6.944 9.427 1.00 0.00 O ATOM 0 H GLU A 14 -9.312 -4.784 4.953 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.411 -4.307 7.590 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.726 -6.308 6.618 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.191 -6.909 6.025 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -8.680 -6.168 8.954 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -8.878 -7.794 8.331 1.00 0.00 H new ATOM 221 N ALA A 15 -6.155 -5.132 5.332 1.00 0.00 N ATOM 222 CA ALA A 15 -4.727 -5.163 5.039 1.00 0.00 C ATOM 223 C ALA A 15 -4.088 -3.820 5.362 1.00 0.00 C ATOM 224 O ALA A 15 -3.041 -3.754 5.996 1.00 0.00 O ATOM 225 CB ALA A 15 -4.514 -5.472 3.553 1.00 0.00 C ATOM 0 H ALA A 15 -6.753 -5.331 4.530 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.264 -5.936 5.652 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -3.446 -5.495 3.336 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.953 -6.441 3.316 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.991 -4.700 2.949 1.00 0.00 H new ATOM 231 N PHE A 16 -4.709 -2.748 4.894 1.00 0.00 N ATOM 232 CA PHE A 16 -4.198 -1.403 5.113 1.00 0.00 C ATOM 233 C PHE A 16 -4.215 -0.973 6.582 1.00 0.00 C ATOM 234 O PHE A 16 -3.222 -0.438 7.072 1.00 0.00 O ATOM 235 CB PHE A 16 -5.014 -0.449 4.262 1.00 0.00 C ATOM 236 CG PHE A 16 -4.506 0.952 4.449 1.00 0.00 C ATOM 237 CD1 PHE A 16 -4.968 1.722 5.519 1.00 0.00 C ATOM 238 CD2 PHE A 16 -3.573 1.482 3.550 1.00 0.00 C ATOM 239 CE1 PHE A 16 -4.497 3.028 5.692 1.00 0.00 C ATOM 240 CE2 PHE A 16 -3.101 2.786 3.723 1.00 0.00 C ATOM 241 CZ PHE A 16 -3.564 3.560 4.794 1.00 0.00 C ATOM 0 H PHE A 16 -5.575 -2.784 4.356 1.00 0.00 H new ATOM 0 HA PHE A 16 -3.147 -1.386 4.823 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.947 -0.734 3.212 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -6.066 -0.506 4.541 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -5.687 1.310 6.211 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.218 0.884 2.724 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -4.853 3.626 6.518 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.380 3.196 3.031 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.201 4.568 4.927 1.00 0.00 H new ATOM 251 N SER A 17 -5.315 -1.218 7.297 1.00 0.00 N ATOM 252 CA SER A 17 -5.369 -0.844 8.714 1.00 0.00 C ATOM 253 C SER A 17 -4.356 -1.671 9.480 1.00 0.00 C ATOM 254 O SER A 17 -3.738 -1.207 10.440 1.00 0.00 O ATOM 255 CB SER A 17 -6.763 -1.066 9.306 1.00 0.00 C ATOM 256 OG SER A 17 -7.727 -0.420 8.490 1.00 0.00 O ATOM 0 H SER A 17 -6.159 -1.661 6.933 1.00 0.00 H new ATOM 0 HA SER A 17 -5.138 0.218 8.797 1.00 0.00 H new ATOM 0 HB2 SER A 17 -6.979 -2.133 9.368 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.806 -0.672 10.321 1.00 0.00 H new ATOM 0 HG SER A 17 -7.854 -0.933 7.665 1.00 0.00 H new ATOM 262 N LEU A 18 -4.197 -2.906 9.032 1.00 0.00 N ATOM 263 CA LEU A 18 -3.259 -3.840 9.619 1.00 0.00 C ATOM 264 C LEU A 18 -1.834 -3.322 9.436 1.00 0.00 C ATOM 265 O LEU A 18 -1.022 -3.365 10.359 1.00 0.00 O ATOM 266 CB LEU A 18 -3.469 -5.177 8.895 1.00 0.00 C ATOM 267 CG LEU A 18 -2.461 -6.245 9.304 1.00 0.00 C ATOM 268 CD1 LEU A 18 -2.606 -6.569 10.790 1.00 0.00 C ATOM 269 CD2 LEU A 18 -2.763 -7.503 8.476 1.00 0.00 C ATOM 0 H LEU A 18 -4.721 -3.288 8.245 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.419 -3.962 10.690 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.476 -5.540 9.100 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.401 -5.015 7.819 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.445 -5.892 9.128 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.880 -7.333 11.068 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.428 -5.668 11.378 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.613 -6.937 10.986 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.059 -8.292 8.742 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.779 -7.839 8.682 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.665 -7.273 7.415 1.00 0.00 H new ATOM 281 N PHE A 19 -1.543 -2.816 8.238 1.00 0.00 N ATOM 282 CA PHE A 19 -0.217 -2.282 7.946 1.00 0.00 C ATOM 283 C PHE A 19 0.051 -1.021 8.768 1.00 0.00 C ATOM 284 O PHE A 19 1.198 -0.594 8.903 1.00 0.00 O ATOM 285 CB PHE A 19 -0.071 -1.956 6.443 1.00 0.00 C ATOM 286 CG PHE A 19 0.063 -3.228 5.614 1.00 0.00 C ATOM 287 CD1 PHE A 19 1.069 -4.156 5.905 1.00 0.00 C ATOM 288 CD2 PHE A 19 -0.813 -3.475 4.549 1.00 0.00 C ATOM 289 CE1 PHE A 19 1.192 -5.319 5.143 1.00 0.00 C ATOM 290 CE2 PHE A 19 -0.692 -4.642 3.787 1.00 0.00 C ATOM 291 CZ PHE A 19 0.310 -5.563 4.087 1.00 0.00 C ATOM 0 H PHE A 19 -2.202 -2.765 7.461 1.00 0.00 H new ATOM 0 HA PHE A 19 0.512 -3.046 8.214 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -0.938 -1.388 6.105 1.00 0.00 H new ATOM 0 HB3 PHE A 19 0.804 -1.324 6.288 1.00 0.00 H new ATOM 0 HD1 PHE A 19 1.752 -3.972 6.721 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -1.587 -2.759 4.315 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.971 -6.032 5.370 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.373 -4.828 2.969 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.405 -6.466 3.503 1.00 0.00 H new ATOM 301 N ASP A 20 -1.005 -0.420 9.307 1.00 0.00 N ATOM 302 CA ASP A 20 -0.856 0.799 10.105 1.00 0.00 C ATOM 303 C ASP A 20 -0.661 0.474 11.588 1.00 0.00 C ATOM 304 O ASP A 20 -1.632 0.294 12.323 1.00 0.00 O ATOM 305 CB ASP A 20 -2.096 1.677 9.932 1.00 0.00 C ATOM 306 CG ASP A 20 -2.109 2.295 8.538 1.00 0.00 C ATOM 307 OD1 ASP A 20 -1.157 2.988 8.220 1.00 0.00 O ATOM 308 OD2 ASP A 20 -3.069 2.075 7.814 1.00 0.00 O ATOM 0 H ASP A 20 -1.965 -0.750 9.209 1.00 0.00 H new ATOM 0 HA ASP A 20 0.029 1.329 9.755 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.997 1.082 10.083 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.103 2.463 10.687 1.00 0.00 H new ATOM 313 N LYS A 21 0.598 0.394 12.020 1.00 0.00 N ATOM 314 CA LYS A 21 0.900 0.083 13.417 1.00 0.00 C ATOM 315 C LYS A 21 0.341 1.150 14.357 1.00 0.00 C ATOM 316 O LYS A 21 0.149 0.895 15.542 1.00 0.00 O ATOM 317 CB LYS A 21 2.412 -0.020 13.631 1.00 0.00 C ATOM 318 CG LYS A 21 2.944 -1.309 12.993 1.00 0.00 C ATOM 319 CD LYS A 21 4.481 -1.340 13.089 1.00 0.00 C ATOM 320 CE LYS A 21 4.916 -1.695 14.518 1.00 0.00 C ATOM 321 NZ LYS A 21 6.368 -2.015 14.534 1.00 0.00 N ATOM 0 H LYS A 21 1.417 0.539 11.430 1.00 0.00 H new ATOM 0 HA LYS A 21 0.429 -0.873 13.644 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.910 0.845 13.193 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.638 -0.012 14.697 1.00 0.00 H new ATOM 0 HG2 LYS A 21 2.521 -2.177 13.498 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.634 -1.364 11.949 1.00 0.00 H new ATOM 0 HD2 LYS A 21 4.882 -2.071 12.387 1.00 0.00 H new ATOM 0 HD3 LYS A 21 4.890 -0.370 12.807 1.00 0.00 H new ATOM 0 HE2 LYS A 21 4.710 -0.861 15.189 1.00 0.00 H new ATOM 0 HE3 LYS A 21 4.342 -2.547 14.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.660 -2.255 15.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.552 -2.824 13.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 6.909 -1.190 14.204 1.00 0.00 H new ATOM 335 N ASP A 22 0.111 2.351 13.830 1.00 0.00 N ATOM 336 CA ASP A 22 -0.405 3.460 14.645 1.00 0.00 C ATOM 337 C ASP A 22 -1.836 3.806 14.256 1.00 0.00 C ATOM 338 O ASP A 22 -2.381 4.796 14.740 1.00 0.00 O ATOM 339 CB ASP A 22 0.486 4.691 14.444 1.00 0.00 C ATOM 340 CG ASP A 22 1.934 4.256 14.284 1.00 0.00 C ATOM 341 OD1 ASP A 22 2.328 3.998 13.157 1.00 0.00 O ATOM 342 OD2 ASP A 22 2.630 4.188 15.285 1.00 0.00 O ATOM 0 H ASP A 22 0.271 2.585 12.850 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.397 3.153 15.691 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.163 5.245 13.563 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.391 5.364 15.296 1.00 0.00 H new ATOM 347 N GLY A 23 -2.435 2.990 13.388 1.00 0.00 N ATOM 348 CA GLY A 23 -3.813 3.229 12.941 1.00 0.00 C ATOM 349 C GLY A 23 -4.087 4.730 12.810 1.00 0.00 C ATOM 350 O GLY A 23 -5.217 5.188 12.998 1.00 0.00 O ATOM 0 H GLY A 23 -1.995 2.164 12.982 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.980 2.739 11.982 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.513 2.787 13.651 1.00 0.00 H new ATOM 354 N ASP A 24 -3.031 5.493 12.518 1.00 0.00 N ATOM 355 CA ASP A 24 -3.153 6.943 12.391 1.00 0.00 C ATOM 356 C ASP A 24 -3.927 7.320 11.139 1.00 0.00 C ATOM 357 O ASP A 24 -4.356 8.460 10.988 1.00 0.00 O ATOM 358 CB ASP A 24 -1.767 7.592 12.339 1.00 0.00 C ATOM 359 CG ASP A 24 -0.938 6.976 11.218 1.00 0.00 C ATOM 360 OD1 ASP A 24 -1.491 6.206 10.449 1.00 0.00 O ATOM 361 OD2 ASP A 24 0.241 7.278 11.147 1.00 0.00 O ATOM 0 H ASP A 24 -2.089 5.132 12.366 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.696 7.306 13.264 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.866 8.666 12.180 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.258 7.457 13.294 1.00 0.00 H new ATOM 366 N GLY A 25 -4.106 6.357 10.240 1.00 0.00 N ATOM 367 CA GLY A 25 -4.838 6.602 8.995 1.00 0.00 C ATOM 368 C GLY A 25 -3.888 6.672 7.805 1.00 0.00 C ATOM 369 O GLY A 25 -4.324 6.868 6.673 1.00 0.00 O ATOM 0 H GLY A 25 -3.758 5.404 10.346 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.567 5.808 8.836 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.395 7.535 9.075 1.00 0.00 H new ATOM 373 N CYS A 26 -2.589 6.503 8.055 1.00 0.00 N ATOM 374 CA CYS A 26 -1.599 6.546 6.977 1.00 0.00 C ATOM 375 C CYS A 26 -0.456 5.567 7.240 1.00 0.00 C ATOM 376 O CYS A 26 0.024 5.444 8.367 1.00 0.00 O ATOM 377 CB CYS A 26 -1.032 7.965 6.839 1.00 0.00 C ATOM 378 SG CYS A 26 -0.592 8.611 8.472 1.00 0.00 S ATOM 0 H CYS A 26 -2.200 6.337 8.983 1.00 0.00 H new ATOM 0 HA CYS A 26 -2.098 6.258 6.052 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.154 7.954 6.193 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -1.767 8.616 6.366 1.00 0.00 H new ATOM 0 HG CYS A 26 -0.111 9.812 8.348 1.00 0.00 H new ATOM 384 N ILE A 27 -0.008 4.893 6.180 1.00 0.00 N ATOM 385 CA ILE A 27 1.104 3.955 6.285 1.00 0.00 C ATOM 386 C ILE A 27 2.370 4.698 5.907 1.00 0.00 C ATOM 387 O ILE A 27 2.462 5.248 4.809 1.00 0.00 O ATOM 388 CB ILE A 27 0.924 2.770 5.318 1.00 0.00 C ATOM 389 CG1 ILE A 27 -0.385 2.038 5.613 1.00 0.00 C ATOM 390 CG2 ILE A 27 2.092 1.782 5.465 1.00 0.00 C ATOM 391 CD1 ILE A 27 -0.652 1.007 4.513 1.00 0.00 C ATOM 0 H ILE A 27 -0.399 4.981 5.242 1.00 0.00 H new ATOM 0 HA ILE A 27 1.151 3.565 7.302 1.00 0.00 H new ATOM 0 HB ILE A 27 0.901 3.161 4.301 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.327 1.544 6.583 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.208 2.750 5.666 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.953 0.949 4.776 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.029 2.290 5.236 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.124 1.406 6.488 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.585 0.485 4.723 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.728 1.513 3.551 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.167 0.288 4.481 1.00 0.00 H new ATOM 403 N THR A 28 3.344 4.730 6.804 1.00 0.00 N ATOM 404 CA THR A 28 4.596 5.410 6.507 1.00 0.00 C ATOM 405 C THR A 28 5.516 4.427 5.786 1.00 0.00 C ATOM 406 O THR A 28 5.178 3.252 5.629 1.00 0.00 O ATOM 407 CB THR A 28 5.233 5.947 7.795 1.00 0.00 C ATOM 408 OG1 THR A 28 5.529 4.868 8.668 1.00 0.00 O ATOM 409 CG2 THR A 28 4.264 6.919 8.486 1.00 0.00 C ATOM 0 H THR A 28 3.295 4.301 7.728 1.00 0.00 H new ATOM 0 HA THR A 28 4.418 6.270 5.861 1.00 0.00 H new ATOM 0 HB THR A 28 6.155 6.473 7.547 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.937 5.214 9.489 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.720 7.298 9.401 1.00 0.00 H new ATOM 0 HG22 THR A 28 4.045 7.751 7.817 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.339 6.398 8.731 1.00 0.00 H new ATOM 417 N THR A 29 6.649 4.905 5.317 1.00 0.00 N ATOM 418 CA THR A 29 7.574 4.043 4.586 1.00 0.00 C ATOM 419 C THR A 29 8.230 3.046 5.534 1.00 0.00 C ATOM 420 O THR A 29 8.444 1.895 5.179 1.00 0.00 O ATOM 421 CB THR A 29 8.654 4.892 3.883 1.00 0.00 C ATOM 422 OG1 THR A 29 9.851 4.869 4.649 1.00 0.00 O ATOM 423 CG2 THR A 29 8.162 6.335 3.755 1.00 0.00 C ATOM 0 H THR A 29 6.956 5.872 5.423 1.00 0.00 H new ATOM 0 HA THR A 29 7.012 3.493 3.831 1.00 0.00 H new ATOM 0 HB THR A 29 8.849 4.482 2.892 1.00 0.00 H new ATOM 0 HG1 THR A 29 10.537 5.407 4.201 1.00 0.00 H new ATOM 0 HG21 THR A 29 8.924 6.936 3.259 1.00 0.00 H new ATOM 0 HG22 THR A 29 7.244 6.356 3.168 1.00 0.00 H new ATOM 0 HG23 THR A 29 7.968 6.742 4.747 1.00 0.00 H new ATOM 431 N LYS A 30 8.553 3.504 6.736 1.00 0.00 N ATOM 432 CA LYS A 30 9.193 2.642 7.733 1.00 0.00 C ATOM 433 C LYS A 30 8.349 1.396 7.956 1.00 0.00 C ATOM 434 O LYS A 30 8.852 0.274 7.917 1.00 0.00 O ATOM 435 CB LYS A 30 9.326 3.403 9.054 1.00 0.00 C ATOM 436 CG LYS A 30 10.028 2.528 10.101 1.00 0.00 C ATOM 437 CD LYS A 30 10.214 3.337 11.389 1.00 0.00 C ATOM 438 CE LYS A 30 10.915 2.482 12.448 1.00 0.00 C ATOM 439 NZ LYS A 30 12.286 2.125 11.983 1.00 0.00 N ATOM 0 H LYS A 30 8.386 4.461 7.048 1.00 0.00 H new ATOM 0 HA LYS A 30 10.180 2.351 7.374 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.892 4.321 8.898 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.340 3.694 9.415 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.437 1.634 10.301 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.995 2.194 9.724 1.00 0.00 H new ATOM 0 HD2 LYS A 30 10.802 4.232 11.184 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.246 3.670 11.762 1.00 0.00 H new ATOM 0 HE2 LYS A 30 10.971 3.027 13.390 1.00 0.00 H new ATOM 0 HE3 LYS A 30 10.338 1.577 12.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.864 1.836 12.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.229 1.340 11.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.723 2.950 11.524 1.00 0.00 H new ATOM 453 N GLU A 31 7.061 1.612 8.158 1.00 0.00 N ATOM 454 CA GLU A 31 6.125 0.516 8.354 1.00 0.00 C ATOM 455 C GLU A 31 6.106 -0.334 7.096 1.00 0.00 C ATOM 456 O GLU A 31 6.140 -1.562 7.153 1.00 0.00 O ATOM 457 CB GLU A 31 4.737 1.091 8.605 1.00 0.00 C ATOM 458 CG GLU A 31 4.732 1.838 9.939 1.00 0.00 C ATOM 459 CD GLU A 31 3.397 2.546 10.132 1.00 0.00 C ATOM 460 OE1 GLU A 31 2.506 2.320 9.330 1.00 0.00 O ATOM 461 OE2 GLU A 31 3.283 3.300 11.083 1.00 0.00 O ATOM 0 H GLU A 31 6.637 2.539 8.191 1.00 0.00 H new ATOM 0 HA GLU A 31 6.424 -0.094 9.206 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.459 1.767 7.796 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.997 0.291 8.621 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.905 1.139 10.758 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.545 2.564 9.962 1.00 0.00 H new ATOM 468 N LEU A 32 6.074 0.345 5.957 1.00 0.00 N ATOM 469 CA LEU A 32 6.090 -0.333 4.675 1.00 0.00 C ATOM 470 C LEU A 32 7.395 -1.103 4.570 1.00 0.00 C ATOM 471 O LEU A 32 7.423 -2.265 4.165 1.00 0.00 O ATOM 472 CB LEU A 32 5.964 0.698 3.542 1.00 0.00 C ATOM 473 CG LEU A 32 5.482 0.013 2.244 1.00 0.00 C ATOM 474 CD1 LEU A 32 3.948 -0.057 2.226 1.00 0.00 C ATOM 475 CD2 LEU A 32 5.959 0.810 1.021 1.00 0.00 C ATOM 0 H LEU A 32 6.037 1.363 5.898 1.00 0.00 H new ATOM 0 HA LEU A 32 5.251 -1.024 4.590 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.262 1.481 3.830 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.927 1.180 3.371 1.00 0.00 H new ATOM 0 HG LEU A 32 5.896 -0.995 2.209 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.617 -0.541 1.307 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.600 -0.631 3.085 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.537 0.952 2.273 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.615 0.320 0.110 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.553 1.821 1.065 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.048 0.856 1.019 1.00 0.00 H new ATOM 487 N GLY A 33 8.477 -0.450 4.972 1.00 0.00 N ATOM 488 CA GLY A 33 9.779 -1.083 4.953 1.00 0.00 C ATOM 489 C GLY A 33 9.795 -2.302 5.868 1.00 0.00 C ATOM 490 O GLY A 33 10.324 -3.350 5.503 1.00 0.00 O ATOM 0 H GLY A 33 8.475 0.512 5.312 1.00 0.00 H new ATOM 0 HA2 GLY A 33 10.029 -1.382 3.935 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.540 -0.371 5.273 1.00 0.00 H new ATOM 494 N THR A 34 9.189 -2.170 7.054 1.00 0.00 N ATOM 495 CA THR A 34 9.132 -3.292 7.992 1.00 0.00 C ATOM 496 C THR A 34 8.613 -4.504 7.239 1.00 0.00 C ATOM 497 O THR A 34 9.177 -5.595 7.289 1.00 0.00 O ATOM 498 CB THR A 34 8.161 -2.959 9.139 1.00 0.00 C ATOM 499 OG1 THR A 34 8.462 -1.673 9.655 1.00 0.00 O ATOM 500 CG2 THR A 34 8.280 -3.998 10.257 1.00 0.00 C ATOM 0 H THR A 34 8.740 -1.314 7.381 1.00 0.00 H new ATOM 0 HA THR A 34 10.121 -3.488 8.407 1.00 0.00 H new ATOM 0 HB THR A 34 7.142 -2.972 8.753 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.244 -0.992 8.985 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.587 -3.749 11.061 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.039 -4.985 9.863 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.299 -4.001 10.644 1.00 0.00 H new ATOM 508 N VAL A 35 7.510 -4.277 6.561 1.00 0.00 N ATOM 509 CA VAL A 35 6.851 -5.305 5.790 1.00 0.00 C ATOM 510 C VAL A 35 7.718 -5.777 4.626 1.00 0.00 C ATOM 511 O VAL A 35 7.922 -6.976 4.453 1.00 0.00 O ATOM 512 CB VAL A 35 5.531 -4.722 5.288 1.00 0.00 C ATOM 513 CG1 VAL A 35 4.856 -5.673 4.300 1.00 0.00 C ATOM 514 CG2 VAL A 35 4.612 -4.475 6.495 1.00 0.00 C ATOM 0 H VAL A 35 7.044 -3.370 6.529 1.00 0.00 H new ATOM 0 HA VAL A 35 6.672 -6.181 6.413 1.00 0.00 H new ATOM 0 HB VAL A 35 5.726 -3.784 4.768 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.918 -5.236 3.957 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.513 -5.838 3.446 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.654 -6.625 4.791 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.665 -4.058 6.152 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.428 -5.417 7.011 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.090 -3.774 7.179 1.00 0.00 H new ATOM 524 N MET A 36 8.244 -4.841 3.837 1.00 0.00 N ATOM 525 CA MET A 36 9.086 -5.212 2.706 1.00 0.00 C ATOM 526 C MET A 36 10.345 -5.914 3.220 1.00 0.00 C ATOM 527 O MET A 36 10.773 -6.931 2.671 1.00 0.00 O ATOM 528 CB MET A 36 9.463 -3.950 1.934 1.00 0.00 C ATOM 529 CG MET A 36 8.239 -3.425 1.178 1.00 0.00 C ATOM 530 SD MET A 36 7.783 -4.580 -0.142 1.00 0.00 S ATOM 531 CE MET A 36 8.709 -3.778 -1.474 1.00 0.00 C ATOM 0 H MET A 36 8.104 -3.838 3.958 1.00 0.00 H new ATOM 0 HA MET A 36 8.549 -5.892 2.044 1.00 0.00 H new ATOM 0 HB2 MET A 36 9.833 -3.189 2.621 1.00 0.00 H new ATOM 0 HB3 MET A 36 10.270 -4.167 1.234 1.00 0.00 H new ATOM 0 HG2 MET A 36 7.403 -3.298 1.866 1.00 0.00 H new ATOM 0 HG3 MET A 36 8.456 -2.444 0.755 1.00 0.00 H new ATOM 0 HE1 MET A 36 8.792 -4.459 -2.321 1.00 0.00 H new ATOM 0 HE2 MET A 36 8.188 -2.873 -1.786 1.00 0.00 H new ATOM 0 HE3 MET A 36 9.706 -3.518 -1.119 1.00 0.00 H new ATOM 541 N ARG A 37 10.909 -5.368 4.300 1.00 0.00 N ATOM 542 CA ARG A 37 12.102 -5.929 4.925 1.00 0.00 C ATOM 543 C ARG A 37 11.897 -7.403 5.223 1.00 0.00 C ATOM 544 O ARG A 37 12.714 -8.252 4.867 1.00 0.00 O ATOM 545 CB ARG A 37 12.314 -5.205 6.259 1.00 0.00 C ATOM 546 CG ARG A 37 13.588 -5.692 6.954 1.00 0.00 C ATOM 547 CD ARG A 37 13.761 -4.927 8.275 1.00 0.00 C ATOM 548 NE ARG A 37 14.931 -5.418 8.997 1.00 0.00 N ATOM 549 CZ ARG A 37 15.387 -4.797 10.083 1.00 0.00 C ATOM 550 NH1 ARG A 37 14.779 -3.734 10.537 1.00 0.00 N ATOM 551 NH2 ARG A 37 16.443 -5.255 10.698 1.00 0.00 N ATOM 0 H ARG A 37 10.552 -4.531 4.761 1.00 0.00 H new ATOM 0 HA ARG A 37 12.955 -5.809 4.257 1.00 0.00 H new ATOM 0 HB2 ARG A 37 12.378 -4.131 6.087 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.455 -5.373 6.908 1.00 0.00 H new ATOM 0 HG2 ARG A 37 13.527 -6.763 7.145 1.00 0.00 H new ATOM 0 HG3 ARG A 37 14.453 -5.532 6.310 1.00 0.00 H new ATOM 0 HD2 ARG A 37 13.870 -3.861 8.074 1.00 0.00 H new ATOM 0 HD3 ARG A 37 12.869 -5.045 8.891 1.00 0.00 H new ATOM 0 HE ARG A 37 15.409 -6.254 8.662 1.00 0.00 H new ATOM 0 HH11 ARG A 37 13.952 -3.377 10.059 1.00 0.00 H new ATOM 0 HH12 ARG A 37 15.132 -3.261 11.369 1.00 0.00 H new ATOM 0 HH21 ARG A 37 16.917 -6.087 10.347 1.00 0.00 H new ATOM 0 HH22 ARG A 37 16.794 -4.781 11.530 1.00 0.00 H new ATOM 565 N SER A 38 10.800 -7.676 5.902 1.00 0.00 N ATOM 566 CA SER A 38 10.456 -9.037 6.295 1.00 0.00 C ATOM 567 C SER A 38 10.144 -9.911 5.082 1.00 0.00 C ATOM 568 O SER A 38 10.283 -11.132 5.133 1.00 0.00 O ATOM 569 CB SER A 38 9.233 -9.005 7.211 1.00 0.00 C ATOM 570 OG SER A 38 8.145 -8.406 6.521 1.00 0.00 O ATOM 0 H SER A 38 10.125 -6.971 6.197 1.00 0.00 H new ATOM 0 HA SER A 38 11.314 -9.464 6.814 1.00 0.00 H new ATOM 0 HB2 SER A 38 8.970 -10.016 7.521 1.00 0.00 H new ATOM 0 HB3 SER A 38 9.458 -8.443 8.117 1.00 0.00 H new ATOM 0 HG SER A 38 8.480 -7.930 5.733 1.00 0.00 H new ATOM 576 N LEU A 39 9.690 -9.283 4.003 1.00 0.00 N ATOM 577 CA LEU A 39 9.328 -10.020 2.789 1.00 0.00 C ATOM 578 C LEU A 39 10.555 -10.316 1.917 1.00 0.00 C ATOM 579 O LEU A 39 10.479 -10.260 0.689 1.00 0.00 O ATOM 580 CB LEU A 39 8.287 -9.217 1.985 1.00 0.00 C ATOM 581 CG LEU A 39 6.925 -9.206 2.724 1.00 0.00 C ATOM 582 CD1 LEU A 39 6.011 -8.133 2.113 1.00 0.00 C ATOM 583 CD2 LEU A 39 6.227 -10.575 2.602 1.00 0.00 C ATOM 0 H LEU A 39 9.563 -8.273 3.940 1.00 0.00 H new ATOM 0 HA LEU A 39 8.901 -10.976 3.090 1.00 0.00 H new ATOM 0 HB2 LEU A 39 8.638 -8.195 1.841 1.00 0.00 H new ATOM 0 HB3 LEU A 39 8.167 -9.655 0.994 1.00 0.00 H new ATOM 0 HG LEU A 39 7.111 -8.989 3.776 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.055 -8.129 2.636 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.482 -7.155 2.211 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.847 -8.353 1.058 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.273 -10.545 3.128 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.055 -10.803 1.550 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.859 -11.346 3.042 1.00 0.00 H new ATOM 595 N GLY A 40 11.681 -10.650 2.550 1.00 0.00 N ATOM 596 CA GLY A 40 12.901 -10.976 1.807 1.00 0.00 C ATOM 597 C GLY A 40 13.325 -9.824 0.907 1.00 0.00 C ATOM 598 O GLY A 40 14.339 -9.905 0.214 1.00 0.00 O ATOM 0 H GLY A 40 11.774 -10.702 3.564 1.00 0.00 H new ATOM 0 HA2 GLY A 40 13.704 -11.208 2.506 1.00 0.00 H new ATOM 0 HA3 GLY A 40 12.735 -11.869 1.204 1.00 0.00 H new ATOM 602 N GLN A 41 12.546 -8.748 0.920 1.00 0.00 N ATOM 603 CA GLN A 41 12.845 -7.580 0.105 1.00 0.00 C ATOM 604 C GLN A 41 13.769 -6.640 0.876 1.00 0.00 C ATOM 605 O GLN A 41 13.682 -6.547 2.099 1.00 0.00 O ATOM 606 CB GLN A 41 11.526 -6.860 -0.250 1.00 0.00 C ATOM 607 CG GLN A 41 11.670 -6.127 -1.585 1.00 0.00 C ATOM 608 CD GLN A 41 11.679 -7.135 -2.724 1.00 0.00 C ATOM 609 OE1 GLN A 41 10.793 -7.984 -2.809 1.00 0.00 O ATOM 610 NE2 GLN A 41 12.633 -7.093 -3.611 1.00 0.00 N ATOM 0 H GLN A 41 11.702 -8.662 1.487 1.00 0.00 H new ATOM 0 HA GLN A 41 13.345 -7.887 -0.814 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.712 -7.583 -0.309 1.00 0.00 H new ATOM 0 HB3 GLN A 41 11.266 -6.152 0.537 1.00 0.00 H new ATOM 0 HG2 GLN A 41 10.848 -5.424 -1.715 1.00 0.00 H new ATOM 0 HG3 GLN A 41 12.592 -5.545 -1.594 1.00 0.00 H new ATOM 0 HE21 GLN A 41 13.366 -6.388 -3.538 1.00 0.00 H new ATOM 0 HE22 GLN A 41 12.646 -7.765 -4.378 1.00 0.00 H new ATOM 619 N ASN A 42 14.657 -5.946 0.165 1.00 0.00 N ATOM 620 CA ASN A 42 15.592 -5.022 0.815 1.00 0.00 C ATOM 621 C ASN A 42 15.718 -3.717 0.034 1.00 0.00 C ATOM 622 O ASN A 42 16.783 -3.414 -0.505 1.00 0.00 O ATOM 623 CB ASN A 42 16.975 -5.669 0.917 1.00 0.00 C ATOM 624 CG ASN A 42 17.957 -4.701 1.571 1.00 0.00 C ATOM 625 OD1 ASN A 42 17.501 -3.678 2.240 1.00 0.00 O flip ATOM 626 ND2 ASN A 42 19.170 -4.882 1.471 1.00 0.00 N flip ATOM 0 H ASN A 42 14.750 -6.003 -0.849 1.00 0.00 H new ATOM 0 HA ASN A 42 15.202 -4.801 1.809 1.00 0.00 H new ATOM 0 HB2 ASN A 42 16.914 -6.587 1.501 1.00 0.00 H new ATOM 0 HB3 ASN A 42 17.330 -5.945 -0.076 1.00 0.00 H new ATOM 0 HD21 ASN A 42 19.525 -5.682 0.948 1.00 0.00 H new ATOM 0 HD22 ASN A 42 19.821 -4.232 1.912 1.00 0.00 H new ATOM 633 N PRO A 43 14.671 -2.935 -0.034 1.00 0.00 N ATOM 634 CA PRO A 43 14.698 -1.633 -0.760 1.00 0.00 C ATOM 635 C PRO A 43 15.391 -0.553 0.055 1.00 0.00 C ATOM 636 O PRO A 43 15.420 -0.616 1.285 1.00 0.00 O ATOM 637 CB PRO A 43 13.213 -1.301 -0.938 1.00 0.00 C ATOM 638 CG PRO A 43 12.571 -1.895 0.271 1.00 0.00 C ATOM 639 CD PRO A 43 13.348 -3.186 0.572 1.00 0.00 C ATOM 0 HA PRO A 43 15.248 -1.689 -1.699 1.00 0.00 H new ATOM 0 HB2 PRO A 43 13.047 -0.225 -0.992 1.00 0.00 H new ATOM 0 HB3 PRO A 43 12.814 -1.732 -1.856 1.00 0.00 H new ATOM 0 HG2 PRO A 43 12.616 -1.207 1.115 1.00 0.00 H new ATOM 0 HG3 PRO A 43 11.517 -2.107 0.089 1.00 0.00 H new ATOM 0 HD2 PRO A 43 13.425 -3.369 1.644 1.00 0.00 H new ATOM 0 HD3 PRO A 43 12.864 -4.059 0.134 1.00 0.00 H new ATOM 647 N THR A 44 15.891 0.467 -0.625 1.00 0.00 N ATOM 648 CA THR A 44 16.512 1.590 0.062 1.00 0.00 C ATOM 649 C THR A 44 15.444 2.641 0.311 1.00 0.00 C ATOM 650 O THR A 44 14.342 2.557 -0.231 1.00 0.00 O ATOM 651 CB THR A 44 17.654 2.175 -0.770 1.00 0.00 C ATOM 652 OG1 THR A 44 17.235 2.317 -2.119 1.00 0.00 O ATOM 653 CG2 THR A 44 18.862 1.244 -0.697 1.00 0.00 C ATOM 0 H THR A 44 15.880 0.541 -1.642 1.00 0.00 H new ATOM 0 HA THR A 44 16.937 1.254 1.008 1.00 0.00 H new ATOM 0 HB THR A 44 17.929 3.154 -0.377 1.00 0.00 H new ATOM 0 HG1 THR A 44 17.967 2.694 -2.651 1.00 0.00 H new ATOM 0 HG21 THR A 44 19.677 1.659 -1.289 1.00 0.00 H new ATOM 0 HG22 THR A 44 19.182 1.143 0.340 1.00 0.00 H new ATOM 0 HG23 THR A 44 18.590 0.264 -1.090 1.00 0.00 H new ATOM 661 N GLU A 45 15.749 3.613 1.146 1.00 0.00 N ATOM 662 CA GLU A 45 14.777 4.640 1.469 1.00 0.00 C ATOM 663 C GLU A 45 14.350 5.429 0.238 1.00 0.00 C ATOM 664 O GLU A 45 13.190 5.825 0.131 1.00 0.00 O ATOM 665 CB GLU A 45 15.352 5.585 2.521 1.00 0.00 C ATOM 666 CG GLU A 45 15.621 4.799 3.821 1.00 0.00 C ATOM 667 CD GLU A 45 16.952 4.056 3.720 1.00 0.00 C ATOM 668 OE1 GLU A 45 17.552 4.093 2.659 1.00 0.00 O ATOM 669 OE2 GLU A 45 17.353 3.463 4.708 1.00 0.00 O ATOM 0 H GLU A 45 16.652 3.715 1.610 1.00 0.00 H new ATOM 0 HA GLU A 45 13.891 4.144 1.864 1.00 0.00 H new ATOM 0 HB2 GLU A 45 16.276 6.034 2.157 1.00 0.00 H new ATOM 0 HB3 GLU A 45 14.655 6.401 2.713 1.00 0.00 H new ATOM 0 HG2 GLU A 45 15.640 5.482 4.670 1.00 0.00 H new ATOM 0 HG3 GLU A 45 14.813 4.090 4.000 1.00 0.00 H new ATOM 676 N ALA A 46 15.269 5.648 -0.695 1.00 0.00 N ATOM 677 CA ALA A 46 14.925 6.384 -1.907 1.00 0.00 C ATOM 678 C ALA A 46 13.827 5.646 -2.649 1.00 0.00 C ATOM 679 O ALA A 46 12.837 6.235 -3.076 1.00 0.00 O ATOM 680 CB ALA A 46 16.145 6.490 -2.821 1.00 0.00 C ATOM 0 H ALA A 46 16.238 5.335 -0.640 1.00 0.00 H new ATOM 0 HA ALA A 46 14.589 7.383 -1.629 1.00 0.00 H new ATOM 0 HB1 ALA A 46 15.877 7.041 -3.723 1.00 0.00 H new ATOM 0 HB2 ALA A 46 16.946 7.014 -2.300 1.00 0.00 H new ATOM 0 HB3 ALA A 46 16.483 5.490 -3.094 1.00 0.00 H new ATOM 686 N GLU A 47 14.037 4.354 -2.812 1.00 0.00 N ATOM 687 CA GLU A 47 13.103 3.504 -3.521 1.00 0.00 C ATOM 688 C GLU A 47 11.714 3.543 -2.873 1.00 0.00 C ATOM 689 O GLU A 47 10.705 3.688 -3.564 1.00 0.00 O ATOM 690 CB GLU A 47 13.668 2.087 -3.514 1.00 0.00 C ATOM 691 CG GLU A 47 14.983 2.081 -4.300 1.00 0.00 C ATOM 692 CD GLU A 47 14.716 2.293 -5.787 1.00 0.00 C ATOM 693 OE1 GLU A 47 13.892 1.573 -6.329 1.00 0.00 O ATOM 694 OE2 GLU A 47 15.337 3.171 -6.361 1.00 0.00 O ATOM 0 H GLU A 47 14.859 3.866 -2.457 1.00 0.00 H new ATOM 0 HA GLU A 47 12.981 3.858 -4.545 1.00 0.00 H new ATOM 0 HB2 GLU A 47 13.838 1.752 -2.491 1.00 0.00 H new ATOM 0 HB3 GLU A 47 12.956 1.394 -3.962 1.00 0.00 H new ATOM 0 HG2 GLU A 47 15.640 2.866 -3.927 1.00 0.00 H new ATOM 0 HG3 GLU A 47 15.500 1.133 -4.149 1.00 0.00 H new ATOM 701 N LEU A 48 11.662 3.403 -1.549 1.00 0.00 N ATOM 702 CA LEU A 48 10.385 3.415 -0.831 1.00 0.00 C ATOM 703 C LEU A 48 9.679 4.757 -0.976 1.00 0.00 C ATOM 704 O LEU A 48 8.478 4.822 -1.232 1.00 0.00 O ATOM 705 CB LEU A 48 10.639 3.188 0.652 1.00 0.00 C ATOM 706 CG LEU A 48 11.305 1.838 0.865 1.00 0.00 C ATOM 707 CD1 LEU A 48 11.666 1.691 2.345 1.00 0.00 C ATOM 708 CD2 LEU A 48 10.361 0.708 0.429 1.00 0.00 C ATOM 0 H LEU A 48 12.482 3.281 -0.954 1.00 0.00 H new ATOM 0 HA LEU A 48 9.760 2.629 -1.254 1.00 0.00 H new ATOM 0 HB2 LEU A 48 11.273 3.982 1.046 1.00 0.00 H new ATOM 0 HB3 LEU A 48 9.698 3.229 1.201 1.00 0.00 H new ATOM 0 HG LEU A 48 12.211 1.776 0.263 1.00 0.00 H new ATOM 0 HD11 LEU A 48 12.145 0.725 2.509 1.00 0.00 H new ATOM 0 HD12 LEU A 48 12.350 2.489 2.634 1.00 0.00 H new ATOM 0 HD13 LEU A 48 10.760 1.754 2.948 1.00 0.00 H new ATOM 0 HD21 LEU A 48 10.848 -0.254 0.586 1.00 0.00 H new ATOM 0 HD22 LEU A 48 9.445 0.751 1.018 1.00 0.00 H new ATOM 0 HD23 LEU A 48 10.118 0.824 -0.627 1.00 0.00 H new ATOM 720 N GLN A 49 10.445 5.824 -0.818 1.00 0.00 N ATOM 721 CA GLN A 49 9.898 7.174 -0.938 1.00 0.00 C ATOM 722 C GLN A 49 9.460 7.410 -2.372 1.00 0.00 C ATOM 723 O GLN A 49 8.404 7.982 -2.633 1.00 0.00 O ATOM 724 CB GLN A 49 10.967 8.201 -0.558 1.00 0.00 C ATOM 725 CG GLN A 49 11.158 8.216 0.959 1.00 0.00 C ATOM 726 CD GLN A 49 12.431 8.985 1.301 1.00 0.00 C ATOM 727 OE1 GLN A 49 13.405 8.932 0.549 1.00 0.00 O ATOM 728 NE2 GLN A 49 12.483 9.705 2.386 1.00 0.00 N ATOM 0 H GLN A 49 11.442 5.787 -0.607 1.00 0.00 H new ATOM 0 HA GLN A 49 9.044 7.280 -0.269 1.00 0.00 H new ATOM 0 HB2 GLN A 49 11.909 7.957 -1.050 1.00 0.00 H new ATOM 0 HB3 GLN A 49 10.673 9.191 -0.906 1.00 0.00 H new ATOM 0 HG2 GLN A 49 10.298 8.682 1.440 1.00 0.00 H new ATOM 0 HG3 GLN A 49 11.223 7.196 1.339 1.00 0.00 H new ATOM 0 HE21 GLN A 49 11.676 9.749 3.008 1.00 0.00 H new ATOM 0 HE22 GLN A 49 13.331 10.225 2.613 1.00 0.00 H new ATOM 737 N ASP A 50 10.289 6.948 -3.298 1.00 0.00 N ATOM 738 CA ASP A 50 10.007 7.090 -4.704 1.00 0.00 C ATOM 739 C ASP A 50 8.749 6.314 -5.072 1.00 0.00 C ATOM 740 O ASP A 50 7.828 6.862 -5.681 1.00 0.00 O ATOM 741 CB ASP A 50 11.211 6.560 -5.479 1.00 0.00 C ATOM 742 CG ASP A 50 12.373 7.545 -5.377 1.00 0.00 C ATOM 743 OD1 ASP A 50 12.143 8.663 -4.947 1.00 0.00 O ATOM 744 OD2 ASP A 50 13.480 7.167 -5.725 1.00 0.00 O ATOM 0 H ASP A 50 11.166 6.470 -3.090 1.00 0.00 H new ATOM 0 HA ASP A 50 9.833 8.137 -4.952 1.00 0.00 H new ATOM 0 HB2 ASP A 50 11.510 5.590 -5.083 1.00 0.00 H new ATOM 0 HB3 ASP A 50 10.943 6.408 -6.525 1.00 0.00 H new ATOM 749 N MET A 51 8.701 5.049 -4.664 1.00 0.00 N ATOM 750 CA MET A 51 7.541 4.210 -4.939 1.00 0.00 C ATOM 751 C MET A 51 6.284 4.916 -4.445 1.00 0.00 C ATOM 752 O MET A 51 5.249 4.929 -5.112 1.00 0.00 O ATOM 753 CB MET A 51 7.699 2.870 -4.210 1.00 0.00 C ATOM 754 CG MET A 51 6.520 1.955 -4.546 1.00 0.00 C ATOM 755 SD MET A 51 6.748 0.353 -3.731 1.00 0.00 S ATOM 756 CE MET A 51 7.616 -0.480 -5.083 1.00 0.00 C ATOM 0 H MET A 51 9.447 4.586 -4.145 1.00 0.00 H new ATOM 0 HA MET A 51 7.461 4.031 -6.011 1.00 0.00 H new ATOM 0 HB2 MET A 51 8.635 2.394 -4.503 1.00 0.00 H new ATOM 0 HB3 MET A 51 7.748 3.035 -3.134 1.00 0.00 H new ATOM 0 HG2 MET A 51 5.586 2.412 -4.219 1.00 0.00 H new ATOM 0 HG3 MET A 51 6.447 1.819 -5.625 1.00 0.00 H new ATOM 0 HE1 MET A 51 7.856 -1.501 -4.787 1.00 0.00 H new ATOM 0 HE2 MET A 51 6.979 -0.499 -5.967 1.00 0.00 H new ATOM 0 HE3 MET A 51 8.537 0.057 -5.310 1.00 0.00 H new ATOM 766 N ILE A 52 6.406 5.514 -3.270 1.00 0.00 N ATOM 767 CA ILE A 52 5.312 6.250 -2.654 1.00 0.00 C ATOM 768 C ILE A 52 4.955 7.477 -3.497 1.00 0.00 C ATOM 769 O ILE A 52 3.787 7.775 -3.711 1.00 0.00 O ATOM 770 CB ILE A 52 5.751 6.670 -1.228 1.00 0.00 C ATOM 771 CG1 ILE A 52 5.637 5.469 -0.290 1.00 0.00 C ATOM 772 CG2 ILE A 52 4.881 7.801 -0.674 1.00 0.00 C ATOM 773 CD1 ILE A 52 6.317 5.780 1.043 1.00 0.00 C ATOM 0 H ILE A 52 7.263 5.503 -2.718 1.00 0.00 H new ATOM 0 HA ILE A 52 4.423 5.622 -2.594 1.00 0.00 H new ATOM 0 HB ILE A 52 6.780 7.023 -1.290 1.00 0.00 H new ATOM 0 HG12 ILE A 52 4.588 5.225 -0.124 1.00 0.00 H new ATOM 0 HG13 ILE A 52 6.099 4.594 -0.748 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.222 8.065 0.327 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.958 8.672 -1.325 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.843 7.473 -0.629 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.231 4.918 1.705 1.00 0.00 H new ATOM 0 HD12 ILE A 52 7.370 6.002 0.871 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.836 6.642 1.505 1.00 0.00 H new ATOM 785 N ASN A 53 5.976 8.195 -3.942 1.00 0.00 N ATOM 786 CA ASN A 53 5.788 9.422 -4.720 1.00 0.00 C ATOM 787 C ASN A 53 4.911 9.207 -5.954 1.00 0.00 C ATOM 788 O ASN A 53 4.192 10.117 -6.377 1.00 0.00 O ATOM 789 CB ASN A 53 7.156 9.961 -5.142 1.00 0.00 C ATOM 790 CG ASN A 53 7.948 10.371 -3.903 1.00 0.00 C ATOM 791 OD1 ASN A 53 9.171 10.243 -3.879 1.00 0.00 O ATOM 792 ND2 ASN A 53 7.322 10.862 -2.868 1.00 0.00 N ATOM 0 H ASN A 53 6.953 7.951 -3.778 1.00 0.00 H new ATOM 0 HA ASN A 53 5.271 10.142 -4.085 1.00 0.00 H new ATOM 0 HB2 ASN A 53 7.702 9.200 -5.700 1.00 0.00 H new ATOM 0 HB3 ASN A 53 7.032 10.816 -5.807 1.00 0.00 H new ATOM 0 HD21 ASN A 53 7.847 11.140 -2.039 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.308 10.968 -2.888 1.00 0.00 H new ATOM 799 N GLU A 54 4.988 8.033 -6.557 1.00 0.00 N ATOM 800 CA GLU A 54 4.186 7.754 -7.770 1.00 0.00 C ATOM 801 C GLU A 54 2.729 7.480 -7.398 1.00 0.00 C ATOM 802 O GLU A 54 1.791 7.914 -8.076 1.00 0.00 O ATOM 803 CB GLU A 54 4.773 6.533 -8.514 1.00 0.00 C ATOM 804 CG GLU A 54 6.246 6.373 -8.144 1.00 0.00 C ATOM 805 CD GLU A 54 6.996 7.696 -8.341 1.00 0.00 C ATOM 806 OE1 GLU A 54 6.468 8.556 -9.028 1.00 0.00 O ATOM 807 OE2 GLU A 54 8.090 7.824 -7.818 1.00 0.00 O ATOM 0 H GLU A 54 5.580 7.262 -6.247 1.00 0.00 H new ATOM 0 HA GLU A 54 4.222 8.628 -8.421 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.220 5.632 -8.249 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.670 6.665 -9.591 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.333 6.050 -7.107 1.00 0.00 H new ATOM 0 HG3 GLU A 54 6.699 5.596 -8.759 1.00 0.00 H new ATOM 814 N VAL A 55 2.571 6.731 -6.322 1.00 0.00 N ATOM 815 CA VAL A 55 1.265 6.354 -5.814 1.00 0.00 C ATOM 816 C VAL A 55 0.674 7.480 -4.978 1.00 0.00 C ATOM 817 O VAL A 55 -0.545 7.572 -4.786 1.00 0.00 O ATOM 818 CB VAL A 55 1.441 5.112 -4.935 1.00 0.00 C ATOM 819 CG1 VAL A 55 0.169 4.854 -4.109 1.00 0.00 C ATOM 820 CG2 VAL A 55 1.735 3.908 -5.820 1.00 0.00 C ATOM 0 H VAL A 55 3.349 6.365 -5.773 1.00 0.00 H new ATOM 0 HA VAL A 55 0.591 6.151 -6.646 1.00 0.00 H new ATOM 0 HB VAL A 55 2.272 5.276 -4.249 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.311 3.968 -3.490 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.031 5.715 -3.471 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.675 4.696 -4.780 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.861 3.022 -5.198 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.906 3.752 -6.510 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.649 4.087 -6.386 1.00 0.00 H new ATOM 830 N ASP A 56 1.554 8.298 -4.444 1.00 0.00 N ATOM 831 CA ASP A 56 1.153 9.392 -3.584 1.00 0.00 C ATOM 832 C ASP A 56 0.711 10.596 -4.408 1.00 0.00 C ATOM 833 O ASP A 56 1.086 11.726 -4.109 1.00 0.00 O ATOM 834 CB ASP A 56 2.324 9.736 -2.661 1.00 0.00 C ATOM 835 CG ASP A 56 1.987 10.851 -1.688 1.00 0.00 C ATOM 836 OD1 ASP A 56 0.994 10.726 -0.990 1.00 0.00 O ATOM 837 OD2 ASP A 56 2.752 11.800 -1.629 1.00 0.00 O ATOM 0 H ASP A 56 2.561 8.226 -4.591 1.00 0.00 H new ATOM 0 HA ASP A 56 0.296 9.097 -2.979 1.00 0.00 H new ATOM 0 HB2 ASP A 56 2.616 8.847 -2.103 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.183 10.031 -3.263 1.00 0.00 H new ATOM 842 N ALA A 57 -0.086 10.333 -5.457 1.00 0.00 N ATOM 843 CA ALA A 57 -0.592 11.398 -6.329 1.00 0.00 C ATOM 844 C ALA A 57 -0.963 12.629 -5.504 1.00 0.00 C ATOM 845 O ALA A 57 -1.039 13.745 -6.021 1.00 0.00 O ATOM 846 CB ALA A 57 -1.839 10.903 -7.070 1.00 0.00 C ATOM 0 H ALA A 57 -0.391 9.395 -5.718 1.00 0.00 H new ATOM 0 HA ALA A 57 0.188 11.665 -7.043 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.215 11.694 -7.718 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.582 10.032 -7.673 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -2.608 10.630 -6.347 1.00 0.00 H new ATOM 852 N ASP A 58 -1.199 12.400 -4.215 1.00 0.00 N ATOM 853 CA ASP A 58 -1.567 13.468 -3.293 1.00 0.00 C ATOM 854 C ASP A 58 -0.364 14.350 -2.954 1.00 0.00 C ATOM 855 O ASP A 58 -0.499 15.564 -2.798 1.00 0.00 O ATOM 856 CB ASP A 58 -2.124 12.860 -2.007 1.00 0.00 C ATOM 857 CG ASP A 58 -3.421 12.121 -2.301 1.00 0.00 C ATOM 858 OD1 ASP A 58 -4.070 12.467 -3.276 1.00 0.00 O ATOM 859 OD2 ASP A 58 -3.742 11.212 -1.552 1.00 0.00 O ATOM 0 H ASP A 58 -1.141 11.477 -3.784 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.322 14.088 -3.776 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.395 12.175 -1.573 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.301 13.644 -1.271 1.00 0.00 H new ATOM 864 N GLY A 59 0.812 13.736 -2.841 1.00 0.00 N ATOM 865 CA GLY A 59 2.031 14.480 -2.518 1.00 0.00 C ATOM 866 C GLY A 59 2.198 14.639 -1.008 1.00 0.00 C ATOM 867 O GLY A 59 2.653 15.679 -0.531 1.00 0.00 O ATOM 0 H GLY A 59 0.948 12.733 -2.967 1.00 0.00 H new ATOM 0 HA2 GLY A 59 2.897 13.961 -2.929 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.996 15.463 -2.988 1.00 0.00 H new ATOM 871 N ASN A 60 1.819 13.605 -0.256 1.00 0.00 N ATOM 872 CA ASN A 60 1.926 13.645 1.205 1.00 0.00 C ATOM 873 C ASN A 60 3.129 12.835 1.692 1.00 0.00 C ATOM 874 O ASN A 60 3.603 13.037 2.807 1.00 0.00 O ATOM 875 CB ASN A 60 0.651 13.083 1.831 1.00 0.00 C ATOM 876 CG ASN A 60 -0.562 13.854 1.319 1.00 0.00 C ATOM 877 OD1 ASN A 60 -0.402 15.054 0.831 1.00 0.00 O flip ATOM 878 ND2 ASN A 60 -1.681 13.347 1.360 1.00 0.00 N flip ATOM 0 H ASN A 60 1.438 12.736 -0.629 1.00 0.00 H new ATOM 0 HA ASN A 60 2.062 14.683 1.507 1.00 0.00 H new ATOM 0 HB2 ASN A 60 0.551 12.026 1.586 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.707 13.155 2.917 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.802 12.409 1.742 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.488 13.864 1.012 1.00 0.00 H new ATOM 885 N GLY A 61 3.623 11.919 0.859 1.00 0.00 N ATOM 886 CA GLY A 61 4.777 11.096 1.235 1.00 0.00 C ATOM 887 C GLY A 61 4.354 9.870 2.030 1.00 0.00 C ATOM 888 O GLY A 61 5.193 9.064 2.427 1.00 0.00 O ATOM 0 H GLY A 61 3.249 11.728 -0.070 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.309 10.782 0.337 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.473 11.692 1.826 1.00 0.00 H new ATOM 892 N THR A 62 3.052 9.714 2.236 1.00 0.00 N ATOM 893 CA THR A 62 2.524 8.556 2.955 1.00 0.00 C ATOM 894 C THR A 62 1.318 8.019 2.213 1.00 0.00 C ATOM 895 O THR A 62 0.767 8.692 1.341 1.00 0.00 O ATOM 896 CB THR A 62 2.178 8.916 4.401 1.00 0.00 C ATOM 897 OG1 THR A 62 1.212 9.957 4.432 1.00 0.00 O ATOM 898 CG2 THR A 62 3.454 9.366 5.113 1.00 0.00 C ATOM 0 H THR A 62 2.341 10.372 1.917 1.00 0.00 H new ATOM 0 HA THR A 62 3.287 7.779 2.997 1.00 0.00 H new ATOM 0 HB THR A 62 1.759 8.045 4.905 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.998 10.177 5.363 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.222 9.626 6.146 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.184 8.557 5.098 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.867 10.237 4.604 1.00 0.00 H new ATOM 906 N ILE A 63 0.940 6.785 2.510 1.00 0.00 N ATOM 907 CA ILE A 63 -0.160 6.157 1.802 1.00 0.00 C ATOM 908 C ILE A 63 -1.465 6.276 2.566 1.00 0.00 C ATOM 909 O ILE A 63 -1.613 5.715 3.646 1.00 0.00 O ATOM 910 CB ILE A 63 0.160 4.665 1.592 1.00 0.00 C ATOM 911 CG1 ILE A 63 1.646 4.511 1.239 1.00 0.00 C ATOM 912 CG2 ILE A 63 -0.694 4.104 0.443 1.00 0.00 C ATOM 913 CD1 ILE A 63 1.995 3.033 1.097 1.00 0.00 C ATOM 0 H ILE A 63 1.374 6.206 3.228 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.278 6.668 0.846 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.063 4.117 2.507 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.864 5.036 0.309 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.262 4.966 2.014 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.463 3.048 0.300 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.750 4.214 0.688 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.475 4.651 -0.474 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.051 2.931 0.846 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.794 2.520 2.037 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.390 2.591 0.306 1.00 0.00 H new ATOM 925 N ASP A 64 -2.423 6.972 1.971 1.00 0.00 N ATOM 926 CA ASP A 64 -3.740 7.098 2.568 1.00 0.00 C ATOM 927 C ASP A 64 -4.479 5.829 2.188 1.00 0.00 C ATOM 928 O ASP A 64 -3.849 4.887 1.708 1.00 0.00 O ATOM 929 CB ASP A 64 -4.454 8.340 2.028 1.00 0.00 C ATOM 930 CG ASP A 64 -3.783 9.609 2.563 1.00 0.00 C ATOM 931 OD1 ASP A 64 -2.963 9.493 3.462 1.00 0.00 O ATOM 932 OD2 ASP A 64 -4.094 10.673 2.058 1.00 0.00 O ATOM 0 H ASP A 64 -2.312 7.455 1.080 1.00 0.00 H new ATOM 0 HA ASP A 64 -3.691 7.218 3.650 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.429 8.338 0.938 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -5.503 8.322 2.323 1.00 0.00 H new ATOM 937 N PHE A 65 -5.788 5.767 2.350 1.00 0.00 N ATOM 938 CA PHE A 65 -6.495 4.549 1.943 1.00 0.00 C ATOM 939 C PHE A 65 -6.781 4.496 0.426 1.00 0.00 C ATOM 940 O PHE A 65 -6.455 3.493 -0.213 1.00 0.00 O ATOM 941 CB PHE A 65 -7.780 4.336 2.728 1.00 0.00 C ATOM 942 CG PHE A 65 -8.412 3.090 2.166 1.00 0.00 C ATOM 943 CD1 PHE A 65 -7.788 1.852 2.358 1.00 0.00 C ATOM 944 CD2 PHE A 65 -9.569 3.182 1.395 1.00 0.00 C ATOM 945 CE1 PHE A 65 -8.332 0.705 1.786 1.00 0.00 C ATOM 946 CE2 PHE A 65 -10.110 2.034 0.813 1.00 0.00 C ATOM 947 CZ PHE A 65 -9.493 0.792 1.009 1.00 0.00 C ATOM 0 H PHE A 65 -6.370 6.507 2.742 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.813 3.732 2.177 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -7.572 4.222 3.792 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -8.447 5.192 2.624 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.886 1.786 2.949 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -10.046 4.140 1.248 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -7.858 -0.253 1.942 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -11.004 2.104 0.212 1.00 0.00 H new ATOM 0 HZ PHE A 65 -9.912 -0.097 0.561 1.00 0.00 H new ATOM 957 N PRO A 66 -7.399 5.501 -0.171 1.00 0.00 N ATOM 958 CA PRO A 66 -7.730 5.470 -1.640 1.00 0.00 C ATOM 959 C PRO A 66 -6.490 5.254 -2.497 1.00 0.00 C ATOM 960 O PRO A 66 -6.569 4.653 -3.565 1.00 0.00 O ATOM 961 CB PRO A 66 -8.365 6.855 -1.892 1.00 0.00 C ATOM 962 CG PRO A 66 -7.849 7.700 -0.782 1.00 0.00 C ATOM 963 CD PRO A 66 -7.834 6.779 0.431 1.00 0.00 C ATOM 0 HA PRO A 66 -8.392 4.646 -1.905 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -8.076 7.255 -2.864 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -9.454 6.802 -1.880 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -6.851 8.079 -1.004 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -8.489 8.566 -0.613 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -7.144 7.126 1.200 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -8.816 6.699 0.897 1.00 0.00 H new ATOM 971 N GLU A 67 -5.342 5.726 -2.027 1.00 0.00 N ATOM 972 CA GLU A 67 -4.115 5.530 -2.778 1.00 0.00 C ATOM 973 C GLU A 67 -3.823 4.050 -2.804 1.00 0.00 C ATOM 974 O GLU A 67 -3.836 3.415 -3.862 1.00 0.00 O ATOM 975 CB GLU A 67 -2.964 6.249 -2.078 1.00 0.00 C ATOM 976 CG GLU A 67 -3.070 7.747 -2.325 1.00 0.00 C ATOM 977 CD GLU A 67 -1.896 8.471 -1.677 1.00 0.00 C ATOM 978 OE1 GLU A 67 -1.149 7.828 -0.957 1.00 0.00 O ATOM 979 OE2 GLU A 67 -1.765 9.659 -1.907 1.00 0.00 O ATOM 0 H GLU A 67 -5.238 6.235 -1.150 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.223 5.925 -3.788 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -2.992 6.044 -1.008 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.010 5.876 -2.449 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.083 7.946 -3.397 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.009 8.124 -1.919 1.00 0.00 H new ATOM 986 N PHE A 68 -3.592 3.499 -1.616 1.00 0.00 N ATOM 987 CA PHE A 68 -3.320 2.100 -1.479 1.00 0.00 C ATOM 988 C PHE A 68 -4.367 1.283 -2.260 1.00 0.00 C ATOM 989 O PHE A 68 -4.064 0.199 -2.751 1.00 0.00 O ATOM 990 CB PHE A 68 -3.317 1.734 0.024 1.00 0.00 C ATOM 991 CG PHE A 68 -3.663 0.279 0.213 1.00 0.00 C ATOM 992 CD1 PHE A 68 -2.693 -0.703 -0.029 1.00 0.00 C ATOM 993 CD2 PHE A 68 -4.951 -0.089 0.613 1.00 0.00 C ATOM 994 CE1 PHE A 68 -3.010 -2.053 0.134 1.00 0.00 C ATOM 995 CE2 PHE A 68 -5.268 -1.440 0.777 1.00 0.00 C ATOM 996 CZ PHE A 68 -4.304 -2.421 0.540 1.00 0.00 C ATOM 0 H PHE A 68 -3.591 4.017 -0.737 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.341 1.863 -1.895 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -2.336 1.939 0.453 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.035 2.357 0.558 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.700 -0.416 -0.342 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.699 0.669 0.795 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.264 -2.811 -0.051 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -6.262 -1.726 1.088 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.553 -3.464 0.669 1.00 0.00 H new ATOM 1006 N LEU A 69 -5.586 1.821 -2.388 1.00 0.00 N ATOM 1007 CA LEU A 69 -6.651 1.120 -3.131 1.00 0.00 C ATOM 1008 C LEU A 69 -6.333 1.079 -4.631 1.00 0.00 C ATOM 1009 O LEU A 69 -6.448 0.034 -5.274 1.00 0.00 O ATOM 1010 CB LEU A 69 -8.007 1.797 -2.891 1.00 0.00 C ATOM 1011 CG LEU A 69 -9.106 1.146 -3.740 1.00 0.00 C ATOM 1012 CD1 LEU A 69 -9.125 -0.369 -3.513 1.00 0.00 C ATOM 1013 CD2 LEU A 69 -10.465 1.712 -3.322 1.00 0.00 C ATOM 0 H LEU A 69 -5.861 2.722 -1.997 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.703 0.095 -2.764 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.270 1.728 -1.835 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.936 2.857 -3.133 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.908 1.356 -4.791 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.910 -0.818 -4.122 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.160 -0.791 -3.795 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -9.318 -0.577 -2.461 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -11.251 1.253 -3.922 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.641 1.496 -2.268 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.473 2.791 -3.478 1.00 0.00 H new ATOM 1025 N ASN A 70 -5.914 2.223 -5.168 1.00 0.00 N ATOM 1026 CA ASN A 70 -5.557 2.322 -6.584 1.00 0.00 C ATOM 1027 C ASN A 70 -4.413 1.360 -6.870 1.00 0.00 C ATOM 1028 O ASN A 70 -4.384 0.650 -7.871 1.00 0.00 O ATOM 1029 CB ASN A 70 -5.068 3.745 -6.872 1.00 0.00 C ATOM 1030 CG ASN A 70 -6.227 4.736 -6.933 1.00 0.00 C ATOM 1031 OD1 ASN A 70 -7.388 4.343 -7.056 1.00 0.00 O ATOM 1032 ND2 ASN A 70 -5.967 6.014 -6.845 1.00 0.00 N ATOM 0 H ASN A 70 -5.813 3.094 -4.646 1.00 0.00 H new ATOM 0 HA ASN A 70 -6.422 2.082 -7.203 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -4.366 4.053 -6.097 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -4.526 3.760 -7.818 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -6.728 6.693 -6.878 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.003 6.333 -6.743 1.00 0.00 H new ATOM 1039 N LEU A 71 -3.490 1.374 -5.937 1.00 0.00 N ATOM 1040 CA LEU A 71 -2.298 0.548 -5.942 1.00 0.00 C ATOM 1041 C LEU A 71 -2.674 -0.930 -5.896 1.00 0.00 C ATOM 1042 O LEU A 71 -2.003 -1.779 -6.481 1.00 0.00 O ATOM 1043 CB LEU A 71 -1.527 0.992 -4.697 1.00 0.00 C ATOM 1044 CG LEU A 71 -0.447 0.013 -4.240 1.00 0.00 C ATOM 1045 CD1 LEU A 71 0.634 -0.110 -5.298 1.00 0.00 C ATOM 1046 CD2 LEU A 71 0.174 0.566 -2.948 1.00 0.00 C ATOM 0 H LEU A 71 -3.548 1.983 -5.121 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.697 0.664 -6.844 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.063 1.958 -4.897 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.234 1.141 -3.881 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.885 -0.971 -4.074 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.397 -0.811 -4.959 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.194 -0.474 -6.227 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.088 0.866 -5.469 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.950 -0.114 -2.597 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.611 1.545 -3.144 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.598 0.660 -2.184 1.00 0.00 H new ATOM 1058 N MET A 72 -3.773 -1.211 -5.214 1.00 0.00 N ATOM 1059 CA MET A 72 -4.288 -2.574 -5.084 1.00 0.00 C ATOM 1060 C MET A 72 -5.037 -3.002 -6.359 1.00 0.00 C ATOM 1061 O MET A 72 -4.863 -4.119 -6.852 1.00 0.00 O ATOM 1062 CB MET A 72 -5.249 -2.622 -3.873 1.00 0.00 C ATOM 1063 CG MET A 72 -4.934 -3.803 -2.952 1.00 0.00 C ATOM 1064 SD MET A 72 -4.802 -5.325 -3.918 1.00 0.00 S ATOM 1065 CE MET A 72 -3.639 -6.160 -2.816 1.00 0.00 C ATOM 0 H MET A 72 -4.335 -0.507 -4.735 1.00 0.00 H new ATOM 0 HA MET A 72 -3.455 -3.261 -4.936 1.00 0.00 H new ATOM 0 HB2 MET A 72 -5.174 -1.691 -3.311 1.00 0.00 H new ATOM 0 HB3 MET A 72 -6.277 -2.699 -4.226 1.00 0.00 H new ATOM 0 HG2 MET A 72 -4.001 -3.620 -2.418 1.00 0.00 H new ATOM 0 HG3 MET A 72 -5.716 -3.907 -2.200 1.00 0.00 H new ATOM 0 HE1 MET A 72 -3.403 -7.146 -3.216 1.00 0.00 H new ATOM 0 HE2 MET A 72 -2.725 -5.571 -2.738 1.00 0.00 H new ATOM 0 HE3 MET A 72 -4.087 -6.267 -1.828 1.00 0.00 H new ATOM 1075 N ALA A 73 -5.872 -2.101 -6.881 1.00 0.00 N ATOM 1076 CA ALA A 73 -6.642 -2.387 -8.085 1.00 0.00 C ATOM 1077 C ALA A 73 -5.722 -2.489 -9.289 1.00 0.00 C ATOM 1078 O ALA A 73 -5.962 -3.270 -10.209 1.00 0.00 O ATOM 1079 CB ALA A 73 -7.681 -1.294 -8.333 1.00 0.00 C ATOM 0 H ALA A 73 -6.029 -1.173 -6.488 1.00 0.00 H new ATOM 0 HA ALA A 73 -7.154 -3.338 -7.940 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.245 -1.526 -9.236 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -8.362 -1.240 -7.484 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.178 -0.335 -8.456 1.00 0.00 H new ATOM 1085 N ARG A 74 -4.655 -1.703 -9.261 1.00 0.00 N ATOM 1086 CA ARG A 74 -3.675 -1.712 -10.335 1.00 0.00 C ATOM 1087 C ARG A 74 -2.826 -2.973 -10.251 1.00 0.00 C ATOM 1088 O ARG A 74 -2.515 -3.604 -11.261 1.00 0.00 O ATOM 1089 CB ARG A 74 -2.785 -0.474 -10.216 1.00 0.00 C ATOM 1090 CG ARG A 74 -1.810 -0.415 -11.391 1.00 0.00 C ATOM 1091 CD ARG A 74 -0.999 0.882 -11.314 1.00 0.00 C ATOM 1092 NE ARG A 74 -0.144 0.867 -10.132 1.00 0.00 N ATOM 1093 CZ ARG A 74 0.474 1.965 -9.711 1.00 0.00 C ATOM 1094 NH1 ARG A 74 0.323 3.092 -10.353 1.00 0.00 N ATOM 1095 NH2 ARG A 74 1.231 1.915 -8.649 1.00 0.00 N ATOM 0 H ARG A 74 -4.447 -1.051 -8.505 1.00 0.00 H new ATOM 0 HA ARG A 74 -4.188 -1.698 -11.296 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.400 0.426 -10.198 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -2.233 -0.502 -9.276 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -1.142 -1.276 -11.368 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -2.356 -0.460 -12.333 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -0.391 0.994 -12.211 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -1.671 1.739 -11.276 1.00 0.00 H new ATOM 0 HE ARG A 74 -0.018 -0.005 -9.618 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -0.271 3.132 -11.181 1.00 0.00 H new ATOM 0 HH12 ARG A 74 0.799 3.933 -10.026 1.00 0.00 H new ATOM 0 HH21 ARG A 74 1.346 1.035 -8.146 1.00 0.00 H new ATOM 0 HH22 ARG A 74 1.707 2.756 -8.322 1.00 0.00 H new ATOM 1109 N LYS A 75 -2.438 -3.314 -9.027 1.00 0.00 N ATOM 1110 CA LYS A 75 -1.611 -4.486 -8.784 1.00 0.00 C ATOM 1111 C LYS A 75 -2.467 -5.750 -8.792 1.00 0.00 C ATOM 1112 O LYS A 75 -1.955 -6.870 -8.792 1.00 0.00 O ATOM 1113 CB LYS A 75 -0.911 -4.340 -7.427 1.00 0.00 C ATOM 1114 CG LYS A 75 0.167 -5.418 -7.278 1.00 0.00 C ATOM 1115 CD LYS A 75 0.959 -5.191 -5.988 1.00 0.00 C ATOM 1116 CE LYS A 75 2.042 -6.269 -5.856 1.00 0.00 C ATOM 1117 NZ LYS A 75 2.830 -6.036 -4.610 1.00 0.00 N ATOM 0 H LYS A 75 -2.685 -2.792 -8.186 1.00 0.00 H new ATOM 0 HA LYS A 75 -0.865 -4.567 -9.574 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.462 -3.350 -7.344 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.639 -4.428 -6.621 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -0.294 -6.406 -7.262 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.839 -5.393 -8.136 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.415 -4.201 -5.998 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.291 -5.225 -5.128 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.584 -7.258 -5.829 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.700 -6.246 -6.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.564 -6.767 -4.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.279 -5.099 -4.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.197 -6.079 -3.786 1.00 0.00 H new ATOM 1131 N MET A 76 -3.777 -5.558 -8.799 1.00 0.00 N ATOM 1132 CA MET A 76 -4.714 -6.675 -8.793 1.00 0.00 C ATOM 1133 C MET A 76 -4.392 -7.674 -9.901 1.00 0.00 C ATOM 1134 O MET A 76 -4.271 -8.872 -9.650 1.00 0.00 O ATOM 1135 CB MET A 76 -6.125 -6.119 -8.997 1.00 0.00 C ATOM 1136 CG MET A 76 -7.153 -7.245 -9.010 1.00 0.00 C ATOM 1137 SD MET A 76 -8.820 -6.533 -9.094 1.00 0.00 S ATOM 1138 CE MET A 76 -9.593 -7.560 -7.820 1.00 0.00 C ATOM 0 H MET A 76 -4.218 -4.638 -8.809 1.00 0.00 H new ATOM 0 HA MET A 76 -4.638 -7.199 -7.840 1.00 0.00 H new ATOM 0 HB2 MET A 76 -6.362 -5.413 -8.201 1.00 0.00 H new ATOM 0 HB3 MET A 76 -6.171 -5.567 -9.936 1.00 0.00 H new ATOM 0 HG2 MET A 76 -6.981 -7.900 -9.864 1.00 0.00 H new ATOM 0 HG3 MET A 76 -7.051 -7.857 -8.114 1.00 0.00 H new ATOM 0 HE1 MET A 76 -10.641 -7.279 -7.712 1.00 0.00 H new ATOM 0 HE2 MET A 76 -9.527 -8.609 -8.109 1.00 0.00 H new ATOM 0 HE3 MET A 76 -9.078 -7.412 -6.871 1.00 0.00 H new ATOM 1148 N LYS A 77 -4.250 -7.173 -11.122 1.00 0.00 N ATOM 1149 CA LYS A 77 -3.944 -8.025 -12.270 1.00 0.00 C ATOM 1150 C LYS A 77 -2.443 -8.046 -12.540 1.00 0.00 C ATOM 1151 O LYS A 77 -1.795 -9.089 -12.452 1.00 0.00 O ATOM 1152 CB LYS A 77 -4.673 -7.487 -13.502 1.00 0.00 C ATOM 1153 CG LYS A 77 -4.640 -8.535 -14.639 1.00 0.00 C ATOM 1154 CD LYS A 77 -5.861 -9.452 -14.515 1.00 0.00 C ATOM 1155 CE LYS A 77 -5.802 -10.547 -15.577 1.00 0.00 C ATOM 1156 NZ LYS A 77 -5.910 -9.929 -16.927 1.00 0.00 N ATOM 0 H LYS A 77 -4.341 -6.182 -11.345 1.00 0.00 H new ATOM 0 HA LYS A 77 -4.273 -9.041 -12.052 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -5.705 -7.248 -13.247 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -4.204 -6.561 -13.836 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -4.641 -8.037 -15.609 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -3.723 -9.121 -14.583 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -5.891 -9.899 -13.521 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -6.776 -8.871 -14.631 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -4.868 -11.102 -15.492 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -6.612 -11.261 -15.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -6.142 -10.662 -17.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -6.660 -9.208 -16.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -5.004 -9.484 -17.179 1.00 0.00 H new ATOM 1170 N ASP A 78 -1.902 -6.882 -12.885 1.00 0.00 N ATOM 1171 CA ASP A 78 -0.475 -6.758 -13.186 1.00 0.00 C ATOM 1172 C ASP A 78 0.359 -7.573 -12.203 1.00 0.00 C ATOM 1173 O ASP A 78 0.746 -7.083 -11.141 1.00 0.00 O ATOM 1174 CB ASP A 78 -0.061 -5.289 -13.112 1.00 0.00 C ATOM 1175 CG ASP A 78 -0.704 -4.511 -14.256 1.00 0.00 C ATOM 1176 OD1 ASP A 78 -1.223 -5.146 -15.158 1.00 0.00 O ATOM 1177 OD2 ASP A 78 -0.682 -3.291 -14.207 1.00 0.00 O ATOM 0 H ASP A 78 -2.427 -6.011 -12.964 1.00 0.00 H new ATOM 0 HA ASP A 78 -0.299 -7.141 -14.191 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -0.365 -4.864 -12.155 1.00 0.00 H new ATOM 0 HB3 ASP A 78 1.024 -5.205 -13.168 1.00 0.00 H new ATOM 1182 N THR A 79 0.628 -8.821 -12.567 1.00 0.00 N ATOM 1183 CA THR A 79 1.413 -9.709 -11.716 1.00 0.00 C ATOM 1184 C THR A 79 2.905 -9.443 -11.892 1.00 0.00 C ATOM 1185 O THR A 79 3.306 -9.140 -13.003 1.00 0.00 O ATOM 1186 CB THR A 79 1.106 -11.166 -12.069 1.00 0.00 C ATOM 1187 OG1 THR A 79 2.134 -12.003 -11.562 1.00 0.00 O ATOM 1188 CG2 THR A 79 1.020 -11.321 -13.591 1.00 0.00 C ATOM 1189 OXT THR A 79 3.624 -9.546 -10.911 1.00 0.00 O ATOM 0 H THR A 79 0.316 -9.241 -13.443 1.00 0.00 H new ATOM 0 HA THR A 79 1.145 -9.520 -10.676 1.00 0.00 H new ATOM 0 HB THR A 79 0.153 -11.453 -11.624 1.00 0.00 H new ATOM 0 HG1 THR A 79 1.937 -12.936 -11.787 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.801 -12.360 -13.839 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.227 -10.681 -13.978 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.970 -11.033 -14.040 1.00 0.00 H new TER 1197 THR A 79 HETATM 1198 CA CA A 179 0.242 3.998 10.541 1.00 0.00 CA HETATM 1199 CA CA A 192 -1.478 10.319 0.187 1.00 0.00 CA