USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 491 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 NoAdj : A 8 ASNHD21 : A 8 ASN OD1 : A 101 CACA :(metal ligand) USER MOD NoAdj : A 8 ASNHD22 : A 8 ASN OD1 : A 101 CACA :(metal ligand) USER MOD NoAdj : A 14 ASNHD21 : A 14 ASN OD1 : A 101 CACA :(metal ligand) USER MOD NoAdj : A 14 ASNHD22 : A 14 ASN OD1 : A 101 CACA :(metal ligand) USER MOD NoAdj : A 41 ASNHD21 : A 41 ASN OD1 : A 102 CACA :(metal ligand) USER MOD NoAdj : A 41 ASNHD22 : A 41 ASN OD1 : A 102 CACA :(metal ligand) USER MOD NoAdj : A 47 ASNHD21 : A 47 ASN OD1 : A 102 CACA :(metal ligand) USER MOD NoAdj : A 47 ASNHD22 : A 47 ASN OD1 : A 102 CACA :(metal ligand) USER MOD Set 1.1: A 23 GLN : amide:sc= -0.717 K(o=0.35,f=-12!) USER MOD Set 1.2: A 28 LYS NZ :NH3+ -161:sc= 1.06 (180deg=0) USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 1 ASN : amide:sc= 0.0923 X(o=0.092,f=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A -2 SER OG : rot 180:sc= 0.018 USER MOD Single : A -3 GLY N :NH3+ -150:sc= 0.0227 (180deg=0) USER MOD Single : A 20 MET CE :methyl 151:sc= -1.76 (180deg=-2.3!) USER MOD Single : A 21 MET CE :methyl -124:sc= -1.85 (180deg=-2.53) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0.122 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 1.12 K(o=1.1,f=-0.0056) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -177:sc= 1.23 (180deg=1.11) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 ASN : amide:sc= -0.392 X(o=-0.39,f=-0.043) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 3:sc= 0.756 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 1.410 8.926 16.618 1.00 0.00 N ATOM 2 CA GLY A -3 2.801 8.962 17.052 1.00 0.00 C ATOM 3 C GLY A -3 3.411 7.585 17.096 1.00 0.00 C ATOM 4 O GLY A -3 3.090 6.734 16.259 1.00 0.00 O ATOM 0 H1 GLY A -3 1.178 9.811 16.123 1.00 0.00 H new ATOM 0 H2 GLY A -3 1.268 8.122 15.974 1.00 0.00 H new ATOM 0 H3 GLY A -3 0.790 8.820 17.447 1.00 0.00 H new ATOM 0 HA2 GLY A -3 3.377 9.593 16.374 1.00 0.00 H new ATOM 0 HA3 GLY A -3 2.861 9.418 18.040 1.00 0.00 H new ATOM 10 N SER A -2 4.206 7.344 18.135 1.00 0.00 N ATOM 11 CA SER A -2 5.016 6.138 18.333 1.00 0.00 C ATOM 12 C SER A -2 4.207 4.816 18.338 1.00 0.00 C ATOM 13 O SER A -2 4.741 3.760 17.999 1.00 0.00 O ATOM 14 CB SER A -2 5.764 6.300 19.652 1.00 0.00 C ATOM 15 OG SER A -2 6.354 7.603 19.724 1.00 0.00 O ATOM 0 H SER A -2 4.310 8.012 18.898 1.00 0.00 H new ATOM 0 HA SER A -2 5.693 6.050 17.483 1.00 0.00 H new ATOM 0 HB2 SER A -2 5.080 6.155 20.488 1.00 0.00 H new ATOM 0 HB3 SER A -2 6.537 5.536 19.737 1.00 0.00 H new ATOM 0 HG SER A -2 6.831 7.700 20.575 1.00 0.00 H new ATOM 21 N ALA A -1 2.927 4.873 18.688 1.00 0.00 N ATOM 22 CA ALA A -1 2.105 3.662 18.762 1.00 0.00 C ATOM 23 C ALA A -1 1.615 3.220 17.382 1.00 0.00 C ATOM 24 O ALA A -1 0.999 2.166 17.242 1.00 0.00 O ATOM 25 CB ALA A -1 0.935 3.861 19.703 1.00 0.00 C ATOM 0 H ALA A -1 2.436 5.735 18.924 1.00 0.00 H new ATOM 0 HA ALA A -1 2.738 2.867 19.156 1.00 0.00 H new ATOM 0 HB1 ALA A -1 0.340 2.949 19.741 1.00 0.00 H new ATOM 0 HB2 ALA A -1 1.306 4.094 20.701 1.00 0.00 H new ATOM 0 HB3 ALA A -1 0.316 4.684 19.345 1.00 0.00 H new ATOM 31 N SER A 0 1.884 4.018 16.384 1.00 0.00 N ATOM 32 CA SER A 0 1.503 3.704 15.047 1.00 0.00 C ATOM 33 C SER A 0 2.726 3.721 14.163 1.00 0.00 C ATOM 34 O SER A 0 3.176 4.779 13.746 1.00 0.00 O ATOM 35 CB SER A 0 0.458 4.704 14.547 1.00 0.00 C ATOM 36 OG SER A 0 0.101 4.455 13.201 1.00 0.00 O ATOM 0 H SER A 0 2.376 4.906 16.483 1.00 0.00 H new ATOM 0 HA SER A 0 1.059 2.709 15.018 1.00 0.00 H new ATOM 0 HB2 SER A 0 -0.430 4.648 15.176 1.00 0.00 H new ATOM 0 HB3 SER A 0 0.850 5.717 14.639 1.00 0.00 H new ATOM 0 HG SER A 0 -0.569 5.110 12.914 1.00 0.00 H new ATOM 42 N ASN A 1 3.294 2.573 13.920 1.00 0.00 N ATOM 43 CA ASN A 1 4.450 2.486 13.058 1.00 0.00 C ATOM 44 C ASN A 1 4.072 1.668 11.833 1.00 0.00 C ATOM 45 O ASN A 1 4.522 0.529 11.646 1.00 0.00 O ATOM 46 CB ASN A 1 5.665 1.874 13.796 1.00 0.00 C ATOM 47 CG ASN A 1 6.989 2.008 13.028 1.00 0.00 C ATOM 48 OD1 ASN A 1 7.728 2.982 13.205 1.00 0.00 O ATOM 49 ND2 ASN A 1 7.298 1.053 12.191 1.00 0.00 N ATOM 0 H ASN A 1 2.979 1.682 14.304 1.00 0.00 H new ATOM 0 HA ASN A 1 4.752 3.487 12.751 1.00 0.00 H new ATOM 0 HB2 ASN A 1 5.769 2.357 14.768 1.00 0.00 H new ATOM 0 HB3 ASN A 1 5.470 0.818 13.984 1.00 0.00 H new ATOM 0 HD21 ASN A 1 8.169 1.100 11.663 1.00 0.00 H new ATOM 0 HD22 ASN A 1 6.668 0.261 12.066 1.00 0.00 H new ATOM 56 N THR A 2 3.137 2.191 11.088 1.00 0.00 N ATOM 57 CA THR A 2 2.676 1.576 9.871 1.00 0.00 C ATOM 58 C THR A 2 2.761 2.574 8.705 1.00 0.00 C ATOM 59 O THR A 2 2.298 3.718 8.827 1.00 0.00 O ATOM 60 CB THR A 2 1.221 1.078 10.015 1.00 0.00 C ATOM 61 OG1 THR A 2 1.121 0.164 11.130 1.00 0.00 O ATOM 62 CG2 THR A 2 0.774 0.375 8.748 1.00 0.00 C ATOM 0 H THR A 2 2.667 3.068 11.311 1.00 0.00 H new ATOM 0 HA THR A 2 3.319 0.720 9.666 1.00 0.00 H new ATOM 0 HB THR A 2 0.577 1.940 10.190 1.00 0.00 H new ATOM 0 HG1 THR A 2 0.196 -0.146 11.217 1.00 0.00 H new ATOM 0 HG21 THR A 2 -0.253 0.030 8.866 1.00 0.00 H new ATOM 0 HG22 THR A 2 0.830 1.068 7.908 1.00 0.00 H new ATOM 0 HG23 THR A 2 1.424 -0.479 8.557 1.00 0.00 H new ATOM 70 N ILE A 3 3.345 2.156 7.613 1.00 0.00 N ATOM 71 CA ILE A 3 3.425 2.964 6.417 1.00 0.00 C ATOM 72 C ILE A 3 2.664 2.265 5.274 1.00 0.00 C ATOM 73 O ILE A 3 3.118 1.268 4.720 1.00 0.00 O ATOM 74 CB ILE A 3 4.916 3.298 6.028 1.00 0.00 C ATOM 75 CG1 ILE A 3 5.021 3.987 4.639 1.00 0.00 C ATOM 76 CG2 ILE A 3 5.816 2.073 6.130 1.00 0.00 C ATOM 77 CD1 ILE A 3 6.442 4.368 4.226 1.00 0.00 C ATOM 0 H ILE A 3 3.783 1.239 7.524 1.00 0.00 H new ATOM 0 HA ILE A 3 2.949 3.925 6.610 1.00 0.00 H new ATOM 0 HB ILE A 3 5.278 4.020 6.760 1.00 0.00 H new ATOM 0 HG12 ILE A 3 4.603 3.320 3.884 1.00 0.00 H new ATOM 0 HG13 ILE A 3 4.405 4.886 4.646 1.00 0.00 H new ATOM 0 HG21 ILE A 3 6.835 2.346 5.854 1.00 0.00 H new ATOM 0 HG22 ILE A 3 5.806 1.698 7.153 1.00 0.00 H new ATOM 0 HG23 ILE A 3 5.453 1.297 5.456 1.00 0.00 H new ATOM 0 HD11 ILE A 3 6.421 4.843 3.245 1.00 0.00 H new ATOM 0 HD12 ILE A 3 6.859 5.062 4.956 1.00 0.00 H new ATOM 0 HD13 ILE A 3 7.061 3.472 4.182 1.00 0.00 H new ATOM 89 N LEU A 4 1.463 2.764 4.994 1.00 0.00 N ATOM 90 CA LEU A 4 0.598 2.214 3.961 1.00 0.00 C ATOM 91 C LEU A 4 1.270 2.276 2.602 1.00 0.00 C ATOM 92 O LEU A 4 1.618 3.357 2.118 1.00 0.00 O ATOM 93 CB LEU A 4 -0.730 2.974 3.918 1.00 0.00 C ATOM 94 CG LEU A 4 -1.538 3.024 5.218 1.00 0.00 C ATOM 95 CD1 LEU A 4 -2.872 3.706 5.003 1.00 0.00 C ATOM 96 CD2 LEU A 4 -1.724 1.640 5.808 1.00 0.00 C ATOM 0 H LEU A 4 1.063 3.566 5.482 1.00 0.00 H new ATOM 0 HA LEU A 4 0.404 1.169 4.205 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -0.526 3.998 3.605 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -1.355 2.524 3.147 1.00 0.00 H new ATOM 0 HG LEU A 4 -0.969 3.615 5.936 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -3.425 3.728 5.942 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -2.707 4.726 4.655 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -3.446 3.156 4.257 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -2.301 1.712 6.730 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -2.255 1.009 5.095 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -0.749 1.202 6.024 1.00 0.00 H new ATOM 108 N GLY A 5 1.452 1.132 2.006 1.00 0.00 N ATOM 109 CA GLY A 5 2.120 1.061 0.741 1.00 0.00 C ATOM 110 C GLY A 5 3.457 0.384 0.871 1.00 0.00 C ATOM 111 O GLY A 5 4.032 -0.055 -0.106 1.00 0.00 O ATOM 0 H GLY A 5 1.145 0.233 2.379 1.00 0.00 H new ATOM 0 HA2 GLY A 5 1.500 0.515 0.029 1.00 0.00 H new ATOM 0 HA3 GLY A 5 2.255 2.066 0.341 1.00 0.00 H new ATOM 115 N ASP A 6 3.956 0.302 2.075 1.00 0.00 N ATOM 116 CA ASP A 6 5.201 -0.356 2.319 1.00 0.00 C ATOM 117 C ASP A 6 4.985 -1.570 3.209 1.00 0.00 C ATOM 118 O ASP A 6 5.053 -1.521 4.443 1.00 0.00 O ATOM 119 CB ASP A 6 6.250 0.613 2.836 1.00 0.00 C ATOM 120 CG ASP A 6 7.529 -0.053 3.194 1.00 0.00 C ATOM 121 OD1 ASP A 6 8.061 -0.823 2.376 1.00 0.00 O ATOM 122 OD2 ASP A 6 8.058 0.206 4.266 1.00 0.00 O ATOM 0 H ASP A 6 3.510 0.689 2.907 1.00 0.00 H new ATOM 0 HA ASP A 6 5.603 -0.730 1.378 1.00 0.00 H new ATOM 0 HB2 ASP A 6 6.442 1.371 2.077 1.00 0.00 H new ATOM 0 HB3 ASP A 6 5.859 1.130 3.712 1.00 0.00 H new ATOM 127 N LEU A 7 4.650 -2.637 2.535 1.00 0.00 N ATOM 128 CA LEU A 7 4.260 -3.904 3.100 1.00 0.00 C ATOM 129 C LEU A 7 5.445 -4.710 3.566 1.00 0.00 C ATOM 130 O LEU A 7 5.364 -5.420 4.562 1.00 0.00 O ATOM 131 CB LEU A 7 3.475 -4.723 2.067 1.00 0.00 C ATOM 132 CG LEU A 7 2.048 -4.269 1.690 1.00 0.00 C ATOM 133 CD1 LEU A 7 1.998 -2.910 1.024 1.00 0.00 C ATOM 134 CD2 LEU A 7 1.440 -5.276 0.780 1.00 0.00 C ATOM 0 H LEU A 7 4.641 -2.647 1.515 1.00 0.00 H new ATOM 0 HA LEU A 7 3.635 -3.687 3.966 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.065 -4.753 1.151 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.409 -5.746 2.437 1.00 0.00 H new ATOM 0 HG LEU A 7 1.491 -4.184 2.623 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.964 -2.658 0.788 1.00 0.00 H new ATOM 0 HD12 LEU A 7 2.410 -2.159 1.698 1.00 0.00 H new ATOM 0 HD13 LEU A 7 2.584 -2.933 0.105 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.432 -4.961 0.510 1.00 0.00 H new ATOM 0 HD22 LEU A 7 2.046 -5.364 -0.122 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.396 -6.242 1.284 1.00 0.00 H new ATOM 146 N ASN A 8 6.546 -4.627 2.837 1.00 0.00 N ATOM 147 CA ASN A 8 7.744 -5.394 3.210 1.00 0.00 C ATOM 148 C ASN A 8 8.576 -4.635 4.217 1.00 0.00 C ATOM 149 O ASN A 8 9.617 -5.126 4.680 1.00 0.00 O ATOM 150 CB ASN A 8 8.583 -5.837 1.992 1.00 0.00 C ATOM 151 CG ASN A 8 9.322 -4.722 1.296 1.00 0.00 C ATOM 152 OD1 ASN A 8 8.914 -3.579 1.308 1.00 0.00 O ATOM 153 ND2 ASN A 8 10.375 -5.055 0.640 1.00 0.00 N ATOM 0 H ASN A 8 6.645 -4.052 2.000 1.00 0.00 H new ATOM 0 HA ASN A 8 7.395 -6.314 3.679 1.00 0.00 H new ATOM 0 HB2 ASN A 8 9.306 -6.585 2.319 1.00 0.00 H new ATOM 0 HB3 ASN A 8 7.925 -6.323 1.272 1.00 0.00 H new ATOM 0 HD21 ASN A 8 10.891 -4.351 0.112 1.00 0.00 H new ATOM 0 HD22 ASN A 8 10.696 -6.023 0.647 1.00 0.00 H new ATOM 160 N ASP A 9 8.098 -3.434 4.534 1.00 0.00 N ATOM 161 CA ASP A 9 8.648 -2.574 5.571 1.00 0.00 C ATOM 162 C ASP A 9 10.109 -2.248 5.295 1.00 0.00 C ATOM 163 O ASP A 9 11.023 -2.709 5.982 1.00 0.00 O ATOM 164 CB ASP A 9 8.402 -3.175 6.975 1.00 0.00 C ATOM 165 CG ASP A 9 8.876 -2.318 8.133 1.00 0.00 C ATOM 166 OD1 ASP A 9 8.382 -1.195 8.306 1.00 0.00 O ATOM 167 OD2 ASP A 9 9.719 -2.804 8.939 1.00 0.00 O ATOM 0 H ASP A 9 7.293 -3.023 4.061 1.00 0.00 H new ATOM 0 HA ASP A 9 8.121 -1.620 5.554 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.334 -3.359 7.093 1.00 0.00 H new ATOM 0 HB3 ASP A 9 8.900 -4.143 7.031 1.00 0.00 H new ATOM 172 N ASP A 10 10.325 -1.577 4.191 1.00 0.00 N ATOM 173 CA ASP A 10 11.658 -1.174 3.788 1.00 0.00 C ATOM 174 C ASP A 10 11.751 0.332 3.598 1.00 0.00 C ATOM 175 O ASP A 10 12.797 0.864 3.206 1.00 0.00 O ATOM 176 CB ASP A 10 12.204 -1.972 2.572 1.00 0.00 C ATOM 177 CG ASP A 10 11.464 -1.819 1.250 1.00 0.00 C ATOM 178 OD1 ASP A 10 10.577 -0.955 1.099 1.00 0.00 O ATOM 179 OD2 ASP A 10 11.736 -2.618 0.329 1.00 0.00 O ATOM 0 H ASP A 10 9.588 -1.294 3.546 1.00 0.00 H new ATOM 0 HA ASP A 10 12.322 -1.434 4.613 1.00 0.00 H new ATOM 0 HB2 ASP A 10 13.242 -1.679 2.414 1.00 0.00 H new ATOM 0 HB3 ASP A 10 12.208 -3.029 2.836 1.00 0.00 H new ATOM 184 N GLY A 11 10.648 1.011 3.877 1.00 0.00 N ATOM 185 CA GLY A 11 10.616 2.463 3.885 1.00 0.00 C ATOM 186 C GLY A 11 10.231 3.105 2.576 1.00 0.00 C ATOM 187 O GLY A 11 10.235 4.336 2.469 1.00 0.00 O ATOM 0 H GLY A 11 9.755 0.572 4.103 1.00 0.00 H new ATOM 0 HA2 GLY A 11 9.914 2.791 4.652 1.00 0.00 H new ATOM 0 HA3 GLY A 11 11.600 2.830 4.176 1.00 0.00 H new ATOM 191 N VAL A 12 9.888 2.316 1.591 1.00 0.00 N ATOM 192 CA VAL A 12 9.588 2.857 0.277 1.00 0.00 C ATOM 193 C VAL A 12 8.598 1.966 -0.489 1.00 0.00 C ATOM 194 O VAL A 12 8.610 0.733 -0.335 1.00 0.00 O ATOM 195 CB VAL A 12 10.923 3.073 -0.527 1.00 0.00 C ATOM 196 CG1 VAL A 12 11.737 1.790 -0.594 1.00 0.00 C ATOM 197 CG2 VAL A 12 10.681 3.643 -1.925 1.00 0.00 C ATOM 0 H VAL A 12 9.808 1.302 1.666 1.00 0.00 H new ATOM 0 HA VAL A 12 9.101 3.824 0.401 1.00 0.00 H new ATOM 0 HB VAL A 12 11.501 3.818 0.021 1.00 0.00 H new ATOM 0 HG11 VAL A 12 12.654 1.970 -1.156 1.00 0.00 H new ATOM 0 HG12 VAL A 12 11.988 1.465 0.416 1.00 0.00 H new ATOM 0 HG13 VAL A 12 11.154 1.014 -1.090 1.00 0.00 H new ATOM 0 HG21 VAL A 12 11.635 3.772 -2.436 1.00 0.00 H new ATOM 0 HG22 VAL A 12 10.055 2.956 -2.495 1.00 0.00 H new ATOM 0 HG23 VAL A 12 10.180 4.608 -1.843 1.00 0.00 H new ATOM 207 N VAL A 13 7.714 2.592 -1.256 1.00 0.00 N ATOM 208 CA VAL A 13 6.782 1.890 -2.096 1.00 0.00 C ATOM 209 C VAL A 13 7.503 1.317 -3.335 1.00 0.00 C ATOM 210 O VAL A 13 7.883 2.033 -4.273 1.00 0.00 O ATOM 211 CB VAL A 13 5.550 2.780 -2.485 1.00 0.00 C ATOM 212 CG1 VAL A 13 4.716 3.099 -1.252 1.00 0.00 C ATOM 213 CG2 VAL A 13 5.960 4.084 -3.184 1.00 0.00 C ATOM 0 H VAL A 13 7.632 3.608 -1.305 1.00 0.00 H new ATOM 0 HA VAL A 13 6.379 1.053 -1.526 1.00 0.00 H new ATOM 0 HB VAL A 13 4.957 2.202 -3.194 1.00 0.00 H new ATOM 0 HG11 VAL A 13 3.865 3.717 -1.538 1.00 0.00 H new ATOM 0 HG12 VAL A 13 4.357 2.172 -0.806 1.00 0.00 H new ATOM 0 HG13 VAL A 13 5.328 3.637 -0.528 1.00 0.00 H new ATOM 0 HG21 VAL A 13 5.068 4.661 -3.431 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.598 4.668 -2.520 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.506 3.851 -4.098 1.00 0.00 H new ATOM 223 N ASN A 14 7.777 0.051 -3.271 1.00 0.00 N ATOM 224 CA ASN A 14 8.483 -0.638 -4.320 1.00 0.00 C ATOM 225 C ASN A 14 7.729 -1.839 -4.828 1.00 0.00 C ATOM 226 O ASN A 14 6.692 -2.211 -4.279 1.00 0.00 O ATOM 227 CB ASN A 14 9.941 -0.995 -3.947 1.00 0.00 C ATOM 228 CG ASN A 14 10.165 -1.654 -2.598 1.00 0.00 C ATOM 229 OD1 ASN A 14 9.283 -2.270 -1.985 1.00 0.00 O ATOM 230 ND2 ASN A 14 11.364 -1.596 -2.165 1.00 0.00 N ATOM 0 H ASN A 14 7.517 -0.544 -2.484 1.00 0.00 H new ATOM 0 HA ASN A 14 8.546 0.076 -5.141 1.00 0.00 H new ATOM 0 HB2 ASN A 14 10.335 -1.658 -4.717 1.00 0.00 H new ATOM 0 HB3 ASN A 14 10.533 -0.080 -3.980 1.00 0.00 H new ATOM 0 HD21 ASN A 14 11.615 -2.064 -1.294 1.00 0.00 H new ATOM 0 HD22 ASN A 14 12.071 -1.082 -2.690 1.00 0.00 H new ATOM 237 N GLY A 15 8.291 -2.486 -5.849 1.00 0.00 N ATOM 238 CA GLY A 15 7.660 -3.648 -6.472 1.00 0.00 C ATOM 239 C GLY A 15 7.619 -4.835 -5.538 1.00 0.00 C ATOM 240 O GLY A 15 6.781 -5.725 -5.677 1.00 0.00 O ATOM 0 H GLY A 15 9.185 -2.223 -6.263 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.646 -3.391 -6.777 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.206 -3.916 -7.376 1.00 0.00 H new ATOM 244 N ARG A 16 8.514 -4.809 -4.555 1.00 0.00 N ATOM 245 CA ARG A 16 8.613 -5.834 -3.528 1.00 0.00 C ATOM 246 C ARG A 16 7.325 -5.885 -2.707 1.00 0.00 C ATOM 247 O ARG A 16 6.924 -6.942 -2.229 1.00 0.00 O ATOM 248 CB ARG A 16 9.763 -5.515 -2.585 1.00 0.00 C ATOM 249 CG ARG A 16 11.131 -5.414 -3.228 1.00 0.00 C ATOM 250 CD ARG A 16 11.594 -6.734 -3.814 1.00 0.00 C ATOM 251 NE ARG A 16 12.978 -6.638 -4.291 1.00 0.00 N ATOM 252 CZ ARG A 16 13.403 -6.938 -5.530 1.00 0.00 C ATOM 253 NH1 ARG A 16 12.541 -7.337 -6.473 1.00 0.00 N ATOM 254 NH2 ARG A 16 14.690 -6.823 -5.820 1.00 0.00 N ATOM 0 H ARG A 16 9.201 -4.062 -4.450 1.00 0.00 H new ATOM 0 HA ARG A 16 8.781 -6.793 -4.019 1.00 0.00 H new ATOM 0 HB2 ARG A 16 9.547 -4.571 -2.084 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.800 -6.284 -1.814 1.00 0.00 H new ATOM 0 HG2 ARG A 16 11.105 -4.660 -4.015 1.00 0.00 H new ATOM 0 HG3 ARG A 16 11.854 -5.076 -2.486 1.00 0.00 H new ATOM 0 HD2 ARG A 16 11.518 -7.518 -3.060 1.00 0.00 H new ATOM 0 HD3 ARG A 16 10.940 -7.020 -4.638 1.00 0.00 H new ATOM 0 HE ARG A 16 13.679 -6.315 -3.624 1.00 0.00 H new ATOM 0 HH11 ARG A 16 11.548 -7.417 -6.255 1.00 0.00 H new ATOM 0 HH12 ARG A 16 12.877 -7.562 -7.409 1.00 0.00 H new ATOM 0 HH21 ARG A 16 15.348 -6.509 -5.106 1.00 0.00 H new ATOM 0 HH22 ARG A 16 15.024 -7.048 -6.757 1.00 0.00 H new ATOM 268 N ASP A 17 6.677 -4.729 -2.568 1.00 0.00 N ATOM 269 CA ASP A 17 5.449 -4.606 -1.807 1.00 0.00 C ATOM 270 C ASP A 17 4.323 -5.297 -2.522 1.00 0.00 C ATOM 271 O ASP A 17 3.512 -5.964 -1.897 1.00 0.00 O ATOM 272 CB ASP A 17 5.094 -3.147 -1.562 1.00 0.00 C ATOM 273 CG ASP A 17 6.134 -2.429 -0.754 1.00 0.00 C ATOM 274 OD1 ASP A 17 6.761 -1.483 -1.235 1.00 0.00 O ATOM 275 OD2 ASP A 17 6.435 -2.830 0.374 1.00 0.00 O ATOM 0 H ASP A 17 6.995 -3.853 -2.984 1.00 0.00 H new ATOM 0 HA ASP A 17 5.606 -5.083 -0.840 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.970 -2.641 -2.520 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.136 -3.092 -1.046 1.00 0.00 H new ATOM 280 N ILE A 18 4.296 -5.143 -3.848 1.00 0.00 N ATOM 281 CA ILE A 18 3.332 -5.810 -4.739 1.00 0.00 C ATOM 282 C ILE A 18 3.350 -7.311 -4.501 1.00 0.00 C ATOM 283 O ILE A 18 2.304 -7.938 -4.404 1.00 0.00 O ATOM 284 CB ILE A 18 3.633 -5.522 -6.267 1.00 0.00 C ATOM 285 CG1 ILE A 18 3.264 -4.092 -6.688 1.00 0.00 C ATOM 286 CG2 ILE A 18 2.901 -6.510 -7.184 1.00 0.00 C ATOM 287 CD1 ILE A 18 3.918 -2.977 -5.942 1.00 0.00 C ATOM 0 H ILE A 18 4.953 -4.542 -4.345 1.00 0.00 H new ATOM 0 HA ILE A 18 2.347 -5.405 -4.506 1.00 0.00 H new ATOM 0 HB ILE A 18 4.710 -5.647 -6.377 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.502 -3.978 -7.746 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.184 -3.978 -6.590 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.132 -6.281 -8.224 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.224 -7.526 -6.956 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.826 -6.427 -7.024 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.571 -2.022 -6.337 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.661 -3.047 -4.885 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.000 -3.047 -6.058 1.00 0.00 H new ATOM 299 N VAL A 19 4.542 -7.857 -4.383 1.00 0.00 N ATOM 300 CA VAL A 19 4.739 -9.279 -4.128 1.00 0.00 C ATOM 301 C VAL A 19 4.009 -9.674 -2.848 1.00 0.00 C ATOM 302 O VAL A 19 3.139 -10.534 -2.875 1.00 0.00 O ATOM 303 CB VAL A 19 6.241 -9.622 -3.972 1.00 0.00 C ATOM 304 CG1 VAL A 19 6.471 -11.130 -3.913 1.00 0.00 C ATOM 305 CG2 VAL A 19 7.057 -8.982 -5.077 1.00 0.00 C ATOM 0 H VAL A 19 5.411 -7.328 -4.461 1.00 0.00 H new ATOM 0 HA VAL A 19 4.342 -9.830 -4.980 1.00 0.00 H new ATOM 0 HB VAL A 19 6.578 -9.209 -3.021 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.537 -11.332 -3.803 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.933 -11.547 -3.061 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.108 -11.590 -4.832 1.00 0.00 H new ATOM 0 HG21 VAL A 19 8.109 -9.237 -4.947 1.00 0.00 H new ATOM 0 HG22 VAL A 19 6.712 -9.349 -6.044 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.938 -7.899 -5.037 1.00 0.00 H new ATOM 315 N MET A 20 4.310 -8.943 -1.773 1.00 0.00 N ATOM 316 CA MET A 20 3.757 -9.170 -0.418 1.00 0.00 C ATOM 317 C MET A 20 2.228 -9.056 -0.438 1.00 0.00 C ATOM 318 O MET A 20 1.521 -9.853 0.185 1.00 0.00 O ATOM 319 CB MET A 20 4.300 -8.111 0.549 1.00 0.00 C ATOM 320 CG MET A 20 5.806 -7.919 0.514 1.00 0.00 C ATOM 321 SD MET A 20 6.762 -9.291 1.195 1.00 0.00 S ATOM 322 CE MET A 20 6.489 -9.050 2.950 1.00 0.00 C ATOM 0 H MET A 20 4.959 -8.157 -1.811 1.00 0.00 H new ATOM 0 HA MET A 20 4.050 -10.169 -0.095 1.00 0.00 H new ATOM 0 HB2 MET A 20 3.822 -7.157 0.325 1.00 0.00 H new ATOM 0 HB3 MET A 20 4.007 -8.383 1.563 1.00 0.00 H new ATOM 0 HG2 MET A 20 6.113 -7.758 -0.519 1.00 0.00 H new ATOM 0 HG3 MET A 20 6.055 -7.012 1.065 1.00 0.00 H new ATOM 0 HE1 MET A 20 6.541 -10.011 3.462 1.00 0.00 H new ATOM 0 HE2 MET A 20 7.254 -8.385 3.349 1.00 0.00 H new ATOM 0 HE3 MET A 20 5.505 -8.608 3.108 1.00 0.00 H new ATOM 332 N MET A 21 1.758 -8.043 -1.168 1.00 0.00 N ATOM 333 CA MET A 21 0.333 -7.741 -1.384 1.00 0.00 C ATOM 334 C MET A 21 -0.366 -8.972 -1.899 1.00 0.00 C ATOM 335 O MET A 21 -1.297 -9.486 -1.278 1.00 0.00 O ATOM 336 CB MET A 21 0.241 -6.646 -2.464 1.00 0.00 C ATOM 337 CG MET A 21 -1.148 -6.100 -2.851 1.00 0.00 C ATOM 338 SD MET A 21 -1.773 -4.733 -1.841 1.00 0.00 S ATOM 339 CE MET A 21 -2.165 -5.493 -0.293 1.00 0.00 C ATOM 0 H MET A 21 2.376 -7.385 -1.643 1.00 0.00 H new ATOM 0 HA MET A 21 -0.129 -7.417 -0.451 1.00 0.00 H new ATOM 0 HB2 MET A 21 0.846 -5.803 -2.131 1.00 0.00 H new ATOM 0 HB3 MET A 21 0.707 -7.035 -3.369 1.00 0.00 H new ATOM 0 HG2 MET A 21 -1.111 -5.771 -3.889 1.00 0.00 H new ATOM 0 HG3 MET A 21 -1.865 -6.919 -2.802 1.00 0.00 H new ATOM 0 HE1 MET A 21 -3.209 -5.298 -0.046 1.00 0.00 H new ATOM 0 HE2 MET A 21 -2.004 -6.569 -0.365 1.00 0.00 H new ATOM 0 HE3 MET A 21 -1.525 -5.081 0.487 1.00 0.00 H new ATOM 349 N ARG A 22 0.163 -9.475 -2.995 1.00 0.00 N ATOM 350 CA ARG A 22 -0.403 -10.584 -3.721 1.00 0.00 C ATOM 351 C ARG A 22 -0.332 -11.879 -2.939 1.00 0.00 C ATOM 352 O ARG A 22 -1.193 -12.729 -3.096 1.00 0.00 O ATOM 353 CB ARG A 22 0.280 -10.740 -5.062 1.00 0.00 C ATOM 354 CG ARG A 22 0.193 -9.503 -5.949 1.00 0.00 C ATOM 355 CD ARG A 22 0.835 -9.760 -7.286 1.00 0.00 C ATOM 356 NE ARG A 22 0.096 -10.792 -7.988 1.00 0.00 N ATOM 357 CZ ARG A 22 0.485 -11.425 -9.106 1.00 0.00 C ATOM 358 NH1 ARG A 22 1.596 -11.051 -9.746 1.00 0.00 N ATOM 359 NH2 ARG A 22 -0.250 -12.421 -9.585 1.00 0.00 N ATOM 0 H ARG A 22 1.020 -9.112 -3.413 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.458 -10.361 -3.879 1.00 0.00 H new ATOM 0 HB2 ARG A 22 1.330 -10.984 -4.898 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -0.165 -11.584 -5.589 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -0.851 -9.223 -6.089 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.685 -8.663 -5.459 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.850 -8.844 -7.876 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.871 -10.069 -7.150 1.00 0.00 H new ATOM 0 HE ARG A 22 -0.805 -11.063 -7.595 1.00 0.00 H new ATOM 0 HH11 ARG A 22 2.157 -10.279 -9.386 1.00 0.00 H new ATOM 0 HH12 ARG A 22 1.884 -11.538 -10.595 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -1.105 -12.701 -9.104 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.040 -12.906 -10.434 1.00 0.00 H new ATOM 373 N GLN A 23 0.691 -12.026 -2.097 1.00 0.00 N ATOM 374 CA GLN A 23 0.831 -13.209 -1.263 1.00 0.00 C ATOM 375 C GLN A 23 -0.352 -13.327 -0.327 1.00 0.00 C ATOM 376 O GLN A 23 -1.031 -14.354 -0.291 1.00 0.00 O ATOM 377 CB GLN A 23 2.068 -13.130 -0.400 1.00 0.00 C ATOM 378 CG GLN A 23 3.395 -12.946 -1.093 1.00 0.00 C ATOM 379 CD GLN A 23 3.787 -14.065 -2.040 1.00 0.00 C ATOM 380 OE1 GLN A 23 2.966 -14.686 -2.709 1.00 0.00 O ATOM 381 NE2 GLN A 23 5.035 -14.370 -2.049 1.00 0.00 N ATOM 0 H GLN A 23 1.433 -11.337 -1.978 1.00 0.00 H new ATOM 0 HA GLN A 23 0.895 -14.066 -1.934 1.00 0.00 H new ATOM 0 HB2 GLN A 23 1.937 -12.304 0.299 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.123 -14.043 0.192 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.369 -12.010 -1.652 1.00 0.00 H new ATOM 0 HG3 GLN A 23 4.172 -12.843 -0.335 1.00 0.00 H new ATOM 0 HE21 GLN A 23 5.695 -13.836 -1.483 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.366 -15.146 -2.622 1.00 0.00 H new ATOM 390 N TYR A 24 -0.601 -12.258 0.418 1.00 0.00 N ATOM 391 CA TYR A 24 -1.670 -12.240 1.384 1.00 0.00 C ATOM 392 C TYR A 24 -3.017 -12.361 0.691 1.00 0.00 C ATOM 393 O TYR A 24 -3.905 -13.067 1.158 1.00 0.00 O ATOM 394 CB TYR A 24 -1.601 -10.969 2.198 1.00 0.00 C ATOM 395 CG TYR A 24 -2.572 -10.945 3.353 1.00 0.00 C ATOM 396 CD1 TYR A 24 -3.840 -10.427 3.192 1.00 0.00 C ATOM 397 CD2 TYR A 24 -2.224 -11.455 4.592 1.00 0.00 C ATOM 398 CE1 TYR A 24 -4.735 -10.417 4.211 1.00 0.00 C ATOM 399 CE2 TYR A 24 -3.125 -11.447 5.636 1.00 0.00 C ATOM 400 CZ TYR A 24 -4.384 -10.924 5.434 1.00 0.00 C ATOM 401 OH TYR A 24 -5.307 -10.923 6.459 1.00 0.00 O ATOM 0 H TYR A 24 -0.068 -11.390 0.364 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.557 -13.093 2.053 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.588 -10.846 2.582 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -1.801 -10.118 1.547 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -4.127 -10.020 2.233 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -1.236 -11.864 4.743 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -5.723 -10.010 4.058 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -2.847 -11.846 6.600 1.00 0.00 H new ATOM 0 HH TYR A 24 -4.905 -11.317 7.261 1.00 0.00 H new ATOM 411 N LEU A 25 -3.142 -11.665 -0.412 1.00 0.00 N ATOM 412 CA LEU A 25 -4.349 -11.722 -1.266 1.00 0.00 C ATOM 413 C LEU A 25 -4.640 -13.166 -1.726 1.00 0.00 C ATOM 414 O LEU A 25 -5.799 -13.601 -1.753 1.00 0.00 O ATOM 415 CB LEU A 25 -4.222 -10.805 -2.500 1.00 0.00 C ATOM 416 CG LEU A 25 -4.174 -9.283 -2.265 1.00 0.00 C ATOM 417 CD1 LEU A 25 -3.899 -8.567 -3.569 1.00 0.00 C ATOM 418 CD2 LEU A 25 -5.476 -8.764 -1.666 1.00 0.00 C ATOM 0 H LEU A 25 -2.420 -11.035 -0.762 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.180 -11.367 -0.656 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.317 -11.089 -3.036 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.063 -11.015 -3.161 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.371 -9.084 -1.555 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.867 -7.492 -3.394 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.941 -8.898 -3.971 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.690 -8.795 -4.283 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.403 -7.687 -1.515 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.301 -8.980 -2.345 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.657 -9.253 -0.709 1.00 0.00 H new ATOM 430 N ALA A 26 -3.583 -13.907 -2.049 1.00 0.00 N ATOM 431 CA ALA A 26 -3.697 -15.299 -2.474 1.00 0.00 C ATOM 432 C ALA A 26 -4.046 -16.209 -1.295 1.00 0.00 C ATOM 433 O ALA A 26 -4.597 -17.284 -1.481 1.00 0.00 O ATOM 434 CB ALA A 26 -2.411 -15.764 -3.133 1.00 0.00 C ATOM 0 H ALA A 26 -2.624 -13.560 -2.023 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.506 -15.360 -3.202 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.516 -16.804 -3.443 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.205 -15.145 -4.006 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.587 -15.678 -2.424 1.00 0.00 H new ATOM 440 N GLY A 27 -3.741 -15.758 -0.100 1.00 0.00 N ATOM 441 CA GLY A 27 -4.037 -16.514 1.077 1.00 0.00 C ATOM 442 C GLY A 27 -2.814 -17.151 1.674 1.00 0.00 C ATOM 443 O GLY A 27 -2.906 -18.144 2.393 1.00 0.00 O ATOM 0 H GLY A 27 -3.284 -14.863 0.074 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.501 -15.862 1.817 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.764 -17.289 0.834 1.00 0.00 H new ATOM 447 N LYS A 28 -1.662 -16.593 1.373 1.00 0.00 N ATOM 448 CA LYS A 28 -0.412 -17.099 1.892 1.00 0.00 C ATOM 449 C LYS A 28 -0.039 -16.318 3.126 1.00 0.00 C ATOM 450 O LYS A 28 -0.491 -15.175 3.307 1.00 0.00 O ATOM 451 CB LYS A 28 0.707 -16.920 0.866 1.00 0.00 C ATOM 452 CG LYS A 28 0.376 -17.415 -0.514 1.00 0.00 C ATOM 453 CD LYS A 28 1.532 -17.166 -1.439 1.00 0.00 C ATOM 454 CE LYS A 28 1.203 -17.564 -2.854 1.00 0.00 C ATOM 455 NZ LYS A 28 2.287 -17.227 -3.779 1.00 0.00 N ATOM 0 H LYS A 28 -1.566 -15.780 0.765 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.535 -18.158 2.119 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.962 -15.862 0.807 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.595 -17.442 1.222 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.148 -18.480 -0.482 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.515 -16.909 -0.887 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.801 -16.110 -1.410 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.402 -17.726 -1.095 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.010 -18.636 -2.895 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.287 -17.063 -3.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.920 -17.210 -4.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.672 -16.291 -3.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.040 -17.940 -3.706 1.00 0.00 H new ATOM 469 N THR A 29 0.756 -16.914 3.967 1.00 0.00 N ATOM 470 CA THR A 29 1.272 -16.223 5.111 1.00 0.00 C ATOM 471 C THR A 29 2.539 -15.531 4.662 1.00 0.00 C ATOM 472 O THR A 29 3.511 -16.188 4.255 1.00 0.00 O ATOM 473 CB THR A 29 1.599 -17.189 6.259 1.00 0.00 C ATOM 474 OG1 THR A 29 0.461 -18.022 6.513 1.00 0.00 O ATOM 475 CG2 THR A 29 1.937 -16.408 7.529 1.00 0.00 C ATOM 0 H THR A 29 1.062 -17.883 3.880 1.00 0.00 H new ATOM 0 HA THR A 29 0.528 -15.519 5.485 1.00 0.00 H new ATOM 0 HB THR A 29 2.457 -17.799 5.975 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.666 -18.642 7.244 1.00 0.00 H new ATOM 0 HG21 THR A 29 2.167 -17.105 8.335 1.00 0.00 H new ATOM 0 HG22 THR A 29 2.801 -15.769 7.344 1.00 0.00 H new ATOM 0 HG23 THR A 29 1.085 -15.792 7.815 1.00 0.00 H new ATOM 483 N VAL A 30 2.534 -14.246 4.690 1.00 0.00 N ATOM 484 CA VAL A 30 3.636 -13.511 4.181 1.00 0.00 C ATOM 485 C VAL A 30 4.615 -13.262 5.304 1.00 0.00 C ATOM 486 O VAL A 30 4.277 -12.636 6.309 1.00 0.00 O ATOM 487 CB VAL A 30 3.193 -12.179 3.565 1.00 0.00 C ATOM 488 CG1 VAL A 30 4.213 -11.694 2.569 1.00 0.00 C ATOM 489 CG2 VAL A 30 1.812 -12.276 2.942 1.00 0.00 C ATOM 0 H VAL A 30 1.773 -13.678 5.063 1.00 0.00 H new ATOM 0 HA VAL A 30 4.108 -14.094 3.390 1.00 0.00 H new ATOM 0 HB VAL A 30 3.125 -11.446 4.369 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.883 -10.747 2.141 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.171 -11.551 3.069 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.325 -12.432 1.774 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.536 -11.311 2.517 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.820 -13.030 2.155 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.087 -12.557 3.706 1.00 0.00 H new ATOM 499 N SER A 31 5.794 -13.784 5.155 1.00 0.00 N ATOM 500 CA SER A 31 6.818 -13.672 6.142 1.00 0.00 C ATOM 501 C SER A 31 7.442 -12.275 6.156 1.00 0.00 C ATOM 502 O SER A 31 7.951 -11.794 5.132 1.00 0.00 O ATOM 503 CB SER A 31 7.842 -14.762 5.878 1.00 0.00 C ATOM 504 OG SER A 31 8.045 -14.911 4.470 1.00 0.00 O ATOM 0 H SER A 31 6.074 -14.310 4.327 1.00 0.00 H new ATOM 0 HA SER A 31 6.395 -13.808 7.137 1.00 0.00 H new ATOM 0 HB2 SER A 31 8.785 -14.513 6.365 1.00 0.00 H new ATOM 0 HB3 SER A 31 7.501 -15.704 6.306 1.00 0.00 H new ATOM 0 HG SER A 31 8.708 -15.614 4.308 1.00 0.00 H new ATOM 510 N GLY A 32 7.344 -11.616 7.298 1.00 0.00 N ATOM 511 CA GLY A 32 7.921 -10.305 7.468 1.00 0.00 C ATOM 512 C GLY A 32 7.110 -9.222 6.807 1.00 0.00 C ATOM 513 O GLY A 32 7.664 -8.256 6.287 1.00 0.00 O ATOM 0 H GLY A 32 6.865 -11.976 8.124 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.011 -10.087 8.532 1.00 0.00 H new ATOM 0 HA3 GLY A 32 8.930 -10.300 7.056 1.00 0.00 H new ATOM 517 N ILE A 33 5.812 -9.381 6.798 1.00 0.00 N ATOM 518 CA ILE A 33 4.958 -8.399 6.209 1.00 0.00 C ATOM 519 C ILE A 33 4.369 -7.531 7.300 1.00 0.00 C ATOM 520 O ILE A 33 4.141 -8.003 8.428 1.00 0.00 O ATOM 521 CB ILE A 33 3.806 -9.066 5.367 1.00 0.00 C ATOM 522 CG1 ILE A 33 3.129 -8.033 4.453 1.00 0.00 C ATOM 523 CG2 ILE A 33 2.751 -9.750 6.271 1.00 0.00 C ATOM 524 CD1 ILE A 33 2.097 -8.638 3.505 1.00 0.00 C ATOM 0 H ILE A 33 5.328 -10.186 7.195 1.00 0.00 H new ATOM 0 HA ILE A 33 5.552 -7.788 5.529 1.00 0.00 H new ATOM 0 HB ILE A 33 4.267 -9.837 4.750 1.00 0.00 H new ATOM 0 HG12 ILE A 33 2.644 -7.277 5.070 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.893 -7.523 3.867 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.975 -10.197 5.650 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.231 -10.526 6.867 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.304 -9.009 6.933 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.661 -7.850 2.891 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.581 -9.373 2.862 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.311 -9.123 4.084 1.00 0.00 H new ATOM 536 N ASP A 34 4.172 -6.285 7.013 1.00 0.00 N ATOM 537 CA ASP A 34 3.438 -5.467 7.928 1.00 0.00 C ATOM 538 C ASP A 34 2.030 -5.556 7.460 1.00 0.00 C ATOM 539 O ASP A 34 1.674 -4.912 6.481 1.00 0.00 O ATOM 540 CB ASP A 34 3.871 -4.002 7.934 1.00 0.00 C ATOM 541 CG ASP A 34 3.283 -3.277 9.129 1.00 0.00 C ATOM 542 OD1 ASP A 34 4.018 -3.055 10.114 1.00 0.00 O ATOM 543 OD2 ASP A 34 2.076 -2.997 9.150 1.00 0.00 O ATOM 0 H ASP A 34 4.501 -5.816 6.169 1.00 0.00 H new ATOM 0 HA ASP A 34 3.599 -5.818 8.947 1.00 0.00 H new ATOM 0 HB2 ASP A 34 4.959 -3.939 7.962 1.00 0.00 H new ATOM 0 HB3 ASP A 34 3.548 -3.518 7.013 1.00 0.00 H new ATOM 548 N LYS A 35 1.240 -6.383 8.120 1.00 0.00 N ATOM 549 CA LYS A 35 -0.123 -6.704 7.695 1.00 0.00 C ATOM 550 C LYS A 35 -1.044 -5.463 7.681 1.00 0.00 C ATOM 551 O LYS A 35 -2.105 -5.456 7.043 1.00 0.00 O ATOM 552 CB LYS A 35 -0.716 -7.761 8.613 1.00 0.00 C ATOM 553 CG LYS A 35 -1.977 -8.419 8.064 1.00 0.00 C ATOM 554 CD LYS A 35 -2.741 -9.155 9.151 1.00 0.00 C ATOM 555 CE LYS A 35 -1.926 -10.277 9.766 1.00 0.00 C ATOM 556 NZ LYS A 35 -2.646 -10.918 10.873 1.00 0.00 N ATOM 0 H LYS A 35 1.524 -6.859 8.976 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.060 -7.081 6.674 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.033 -8.531 8.796 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.946 -7.304 9.576 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.619 -7.660 7.617 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.708 -9.117 7.271 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.031 -8.450 9.930 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.661 -9.564 8.733 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.693 -11.020 9.003 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -0.976 -9.883 10.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.062 -11.681 11.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.846 -10.213 11.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.541 -11.315 10.522 1.00 0.00 H new ATOM 570 N ASN A 36 -0.621 -4.420 8.345 1.00 0.00 N ATOM 571 CA ASN A 36 -1.397 -3.221 8.471 1.00 0.00 C ATOM 572 C ASN A 36 -1.170 -2.341 7.264 1.00 0.00 C ATOM 573 O ASN A 36 -2.045 -1.578 6.872 1.00 0.00 O ATOM 574 CB ASN A 36 -0.968 -2.446 9.713 1.00 0.00 C ATOM 575 CG ASN A 36 -0.845 -3.282 10.949 1.00 0.00 C ATOM 576 OD1 ASN A 36 -1.809 -3.485 11.683 1.00 0.00 O ATOM 577 ND2 ASN A 36 0.355 -3.738 11.218 1.00 0.00 N ATOM 0 H ASN A 36 0.282 -4.381 8.818 1.00 0.00 H new ATOM 0 HA ASN A 36 -2.449 -3.496 8.550 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -0.009 -1.968 9.515 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -1.689 -1.650 9.897 1.00 0.00 H new ATOM 0 HD21 ASN A 36 0.515 -4.284 12.064 1.00 0.00 H new ATOM 0 HD22 ASN A 36 1.128 -3.546 10.581 1.00 0.00 H new ATOM 584 N ALA A 37 -0.011 -2.503 6.632 1.00 0.00 N ATOM 585 CA ALA A 37 0.408 -1.637 5.548 1.00 0.00 C ATOM 586 C ALA A 37 -0.226 -2.027 4.229 1.00 0.00 C ATOM 587 O ALA A 37 -0.060 -1.324 3.226 1.00 0.00 O ATOM 588 CB ALA A 37 1.912 -1.640 5.441 1.00 0.00 C ATOM 0 H ALA A 37 0.659 -3.238 6.860 1.00 0.00 H new ATOM 0 HA ALA A 37 0.067 -0.627 5.776 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.220 -0.987 4.624 1.00 0.00 H new ATOM 0 HB2 ALA A 37 2.344 -1.281 6.375 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.261 -2.654 5.246 1.00 0.00 H new ATOM 594 N LEU A 38 -0.952 -3.134 4.246 1.00 0.00 N ATOM 595 CA LEU A 38 -1.639 -3.655 3.072 1.00 0.00 C ATOM 596 C LEU A 38 -2.853 -2.861 2.775 1.00 0.00 C ATOM 597 O LEU A 38 -3.232 -2.734 1.640 1.00 0.00 O ATOM 598 CB LEU A 38 -2.076 -5.118 3.241 1.00 0.00 C ATOM 599 CG LEU A 38 -1.009 -6.196 3.175 1.00 0.00 C ATOM 600 CD1 LEU A 38 -0.070 -6.093 4.293 1.00 0.00 C ATOM 601 CD2 LEU A 38 -1.632 -7.549 3.156 1.00 0.00 C ATOM 0 H LEU A 38 -1.083 -3.702 5.083 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.918 -3.588 2.257 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.580 -5.206 4.204 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.817 -5.335 2.472 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.451 -6.047 2.250 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.679 -6.881 4.213 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.422 -5.120 4.267 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.611 -6.201 5.233 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.851 -8.308 3.109 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.222 -7.691 4.062 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.279 -7.639 2.284 1.00 0.00 H new ATOM 613 N ASP A 39 -3.471 -2.324 3.795 1.00 0.00 N ATOM 614 CA ASP A 39 -4.686 -1.582 3.612 1.00 0.00 C ATOM 615 C ASP A 39 -4.372 -0.137 3.253 1.00 0.00 C ATOM 616 O ASP A 39 -4.402 0.766 4.074 1.00 0.00 O ATOM 617 CB ASP A 39 -5.600 -1.728 4.822 1.00 0.00 C ATOM 618 CG ASP A 39 -6.875 -0.954 4.701 1.00 0.00 C ATOM 619 OD1 ASP A 39 -7.666 -1.193 3.751 1.00 0.00 O ATOM 620 OD2 ASP A 39 -7.142 -0.118 5.565 1.00 0.00 O ATOM 0 H ASP A 39 -3.150 -2.388 4.761 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.242 -1.995 2.770 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.836 -2.783 4.965 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.066 -1.398 5.713 1.00 0.00 H new ATOM 625 N ILE A 40 -3.990 0.021 2.022 1.00 0.00 N ATOM 626 CA ILE A 40 -3.524 1.262 1.455 1.00 0.00 C ATOM 627 C ILE A 40 -4.662 2.245 1.209 1.00 0.00 C ATOM 628 O ILE A 40 -4.502 3.453 1.413 1.00 0.00 O ATOM 629 CB ILE A 40 -2.726 0.975 0.166 1.00 0.00 C ATOM 630 CG1 ILE A 40 -1.639 -0.036 0.507 1.00 0.00 C ATOM 631 CG2 ILE A 40 -2.085 2.261 -0.362 1.00 0.00 C ATOM 632 CD1 ILE A 40 -1.022 -0.718 -0.669 1.00 0.00 C ATOM 0 H ILE A 40 -3.993 -0.745 1.349 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.863 1.742 2.177 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.390 0.584 -0.605 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.854 0.472 1.067 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.062 -0.793 1.167 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.526 2.042 -1.271 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.863 2.992 -0.582 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.409 2.666 0.391 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.260 -1.418 -0.325 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.791 -1.260 -1.220 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.564 0.025 -1.321 1.00 0.00 H new ATOM 644 N ASN A 41 -5.829 1.739 0.822 1.00 0.00 N ATOM 645 CA ASN A 41 -6.971 2.627 0.582 1.00 0.00 C ATOM 646 C ASN A 41 -7.616 3.021 1.919 1.00 0.00 C ATOM 647 O ASN A 41 -8.437 3.938 1.988 1.00 0.00 O ATOM 648 CB ASN A 41 -8.026 2.000 -0.371 1.00 0.00 C ATOM 649 CG ASN A 41 -8.913 0.937 0.272 1.00 0.00 C ATOM 650 OD1 ASN A 41 -8.518 0.239 1.188 1.00 0.00 O ATOM 651 ND2 ASN A 41 -10.102 0.802 -0.219 1.00 0.00 N ATOM 0 H ASN A 41 -6.011 0.747 0.670 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.592 3.519 0.083 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.660 2.795 -0.762 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.509 1.557 -1.222 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.734 0.097 0.161 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -10.408 1.400 -0.987 1.00 0.00 H new ATOM 658 N GLY A 42 -7.201 2.329 2.977 1.00 0.00 N ATOM 659 CA GLY A 42 -7.696 2.600 4.310 1.00 0.00 C ATOM 660 C GLY A 42 -9.166 2.268 4.534 1.00 0.00 C ATOM 661 O GLY A 42 -9.938 3.142 4.903 1.00 0.00 O ATOM 0 H GLY A 42 -6.518 1.573 2.929 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.099 2.034 5.025 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.540 3.656 4.531 1.00 0.00 H new ATOM 665 N ASP A 43 -9.559 1.022 4.320 1.00 0.00 N ATOM 666 CA ASP A 43 -10.957 0.618 4.579 1.00 0.00 C ATOM 667 C ASP A 43 -11.005 -0.403 5.719 1.00 0.00 C ATOM 668 O ASP A 43 -12.049 -0.624 6.337 1.00 0.00 O ATOM 669 CB ASP A 43 -11.680 0.053 3.325 1.00 0.00 C ATOM 670 CG ASP A 43 -11.299 -1.370 2.966 1.00 0.00 C ATOM 671 OD1 ASP A 43 -11.912 -2.308 3.467 1.00 0.00 O ATOM 672 OD2 ASP A 43 -10.388 -1.573 2.166 1.00 0.00 O ATOM 0 H ASP A 43 -8.954 0.277 3.975 1.00 0.00 H new ATOM 0 HA ASP A 43 -11.494 1.523 4.863 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -12.756 0.096 3.492 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -11.463 0.699 2.474 1.00 0.00 H new ATOM 677 N GLY A 44 -9.863 -1.006 6.001 1.00 0.00 N ATOM 678 CA GLY A 44 -9.749 -1.986 7.059 1.00 0.00 C ATOM 679 C GLY A 44 -9.691 -3.424 6.562 1.00 0.00 C ATOM 680 O GLY A 44 -9.360 -4.337 7.329 1.00 0.00 O ATOM 0 H GLY A 44 -8.992 -0.828 5.502 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.851 -1.776 7.641 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.598 -1.879 7.734 1.00 0.00 H new ATOM 684 N ALA A 45 -9.979 -3.638 5.302 1.00 0.00 N ATOM 685 CA ALA A 45 -9.888 -4.962 4.717 1.00 0.00 C ATOM 686 C ALA A 45 -8.837 -4.965 3.632 1.00 0.00 C ATOM 687 O ALA A 45 -8.575 -3.927 3.018 1.00 0.00 O ATOM 688 CB ALA A 45 -11.225 -5.384 4.152 1.00 0.00 C ATOM 0 H ALA A 45 -10.281 -2.910 4.654 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.605 -5.673 5.493 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -11.138 -6.380 3.717 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -11.968 -5.400 4.949 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -11.534 -4.677 3.382 1.00 0.00 H new ATOM 694 N VAL A 46 -8.235 -6.095 3.390 1.00 0.00 N ATOM 695 CA VAL A 46 -7.215 -6.212 2.414 1.00 0.00 C ATOM 696 C VAL A 46 -7.841 -6.680 1.106 1.00 0.00 C ATOM 697 O VAL A 46 -8.279 -7.833 0.964 1.00 0.00 O ATOM 698 CB VAL A 46 -6.128 -7.179 2.881 1.00 0.00 C ATOM 699 CG1 VAL A 46 -5.039 -7.235 1.865 1.00 0.00 C ATOM 700 CG2 VAL A 46 -5.568 -6.759 4.239 1.00 0.00 C ATOM 0 H VAL A 46 -8.449 -6.966 3.877 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.741 -5.243 2.260 1.00 0.00 H new ATOM 0 HB VAL A 46 -6.567 -8.170 2.993 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.264 -7.925 2.200 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.446 -7.579 0.914 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.609 -6.242 1.737 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -4.796 -7.464 4.548 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.138 -5.761 4.162 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.370 -6.752 4.977 1.00 0.00 H new ATOM 710 N ASN A 47 -7.908 -5.786 0.182 1.00 0.00 N ATOM 711 CA ASN A 47 -8.607 -6.004 -1.055 1.00 0.00 C ATOM 712 C ASN A 47 -7.822 -5.529 -2.253 1.00 0.00 C ATOM 713 O ASN A 47 -6.778 -4.900 -2.107 1.00 0.00 O ATOM 714 CB ASN A 47 -10.032 -5.394 -0.980 1.00 0.00 C ATOM 715 CG ASN A 47 -10.123 -4.023 -0.277 1.00 0.00 C ATOM 716 OD1 ASN A 47 -9.243 -3.146 -0.390 1.00 0.00 O ATOM 717 ND2 ASN A 47 -11.138 -3.862 0.517 1.00 0.00 N ATOM 0 H ASN A 47 -7.475 -4.866 0.257 1.00 0.00 H new ATOM 0 HA ASN A 47 -8.717 -7.079 -1.199 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -10.420 -5.291 -1.993 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -10.683 -6.096 -0.459 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -11.227 -3.005 1.064 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -11.846 -4.592 0.594 1.00 0.00 H new ATOM 724 N GLY A 48 -8.336 -5.831 -3.447 1.00 0.00 N ATOM 725 CA GLY A 48 -7.674 -5.476 -4.699 1.00 0.00 C ATOM 726 C GLY A 48 -7.598 -3.985 -4.918 1.00 0.00 C ATOM 727 O GLY A 48 -6.810 -3.516 -5.716 1.00 0.00 O ATOM 0 H GLY A 48 -9.219 -6.326 -3.571 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.666 -5.891 -4.702 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -8.210 -5.934 -5.531 1.00 0.00 H new ATOM 731 N ARG A 49 -8.418 -3.247 -4.190 1.00 0.00 N ATOM 732 CA ARG A 49 -8.390 -1.789 -4.202 1.00 0.00 C ATOM 733 C ARG A 49 -7.052 -1.306 -3.684 1.00 0.00 C ATOM 734 O ARG A 49 -6.479 -0.367 -4.222 1.00 0.00 O ATOM 735 CB ARG A 49 -9.498 -1.246 -3.318 1.00 0.00 C ATOM 736 CG ARG A 49 -10.893 -1.576 -3.807 1.00 0.00 C ATOM 737 CD ARG A 49 -11.481 -0.489 -4.721 1.00 0.00 C ATOM 738 NE ARG A 49 -10.590 -0.074 -5.823 1.00 0.00 N ATOM 739 CZ ARG A 49 -10.799 -0.297 -7.132 1.00 0.00 C ATOM 740 NH1 ARG A 49 -11.734 -1.153 -7.542 1.00 0.00 N ATOM 741 NH2 ARG A 49 -10.032 0.310 -8.019 1.00 0.00 N ATOM 0 H ARG A 49 -9.126 -3.641 -3.570 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.537 -1.436 -5.223 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -9.373 -1.644 -2.311 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.395 -0.163 -3.248 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -10.869 -2.523 -4.347 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -11.550 -1.715 -2.948 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -12.417 -0.854 -5.144 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -11.724 0.385 -4.117 1.00 0.00 H new ATOM 0 HE ARG A 49 -9.739 0.427 -5.568 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -12.304 -1.651 -6.859 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -11.879 -1.310 -8.539 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -9.292 0.939 -7.708 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -10.180 0.150 -9.015 1.00 0.00 H new ATOM 755 N ASP A 50 -6.546 -1.995 -2.655 1.00 0.00 N ATOM 756 CA ASP A 50 -5.258 -1.677 -2.052 1.00 0.00 C ATOM 757 C ASP A 50 -4.170 -2.005 -3.017 1.00 0.00 C ATOM 758 O ASP A 50 -3.223 -1.269 -3.152 1.00 0.00 O ATOM 759 CB ASP A 50 -5.005 -2.483 -0.804 1.00 0.00 C ATOM 760 CG ASP A 50 -6.028 -2.334 0.245 1.00 0.00 C ATOM 761 OD1 ASP A 50 -6.676 -3.317 0.641 1.00 0.00 O ATOM 762 OD2 ASP A 50 -6.283 -1.223 0.712 1.00 0.00 O ATOM 0 H ASP A 50 -7.021 -2.787 -2.221 1.00 0.00 H new ATOM 0 HA ASP A 50 -5.273 -0.617 -1.798 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -4.935 -3.536 -1.076 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.038 -2.195 -0.392 1.00 0.00 H new ATOM 767 N LEU A 51 -4.338 -3.129 -3.697 1.00 0.00 N ATOM 768 CA LEU A 51 -3.410 -3.585 -4.728 1.00 0.00 C ATOM 769 C LEU A 51 -3.293 -2.539 -5.815 1.00 0.00 C ATOM 770 O LEU A 51 -2.202 -2.179 -6.215 1.00 0.00 O ATOM 771 CB LEU A 51 -3.874 -4.940 -5.307 1.00 0.00 C ATOM 772 CG LEU A 51 -3.148 -5.484 -6.566 1.00 0.00 C ATOM 773 CD1 LEU A 51 -1.649 -5.664 -6.342 1.00 0.00 C ATOM 774 CD2 LEU A 51 -3.763 -6.806 -6.971 1.00 0.00 C ATOM 0 H LEU A 51 -5.128 -3.757 -3.550 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.425 -3.730 -4.284 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.782 -5.688 -4.520 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.935 -4.856 -5.544 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.272 -4.747 -7.360 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.188 -6.047 -7.253 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.202 -4.704 -6.085 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.485 -6.370 -5.528 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.253 -7.189 -7.855 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.659 -7.521 -6.155 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.820 -6.662 -7.195 1.00 0.00 H new ATOM 786 N MET A 52 -4.426 -2.020 -6.242 1.00 0.00 N ATOM 787 CA MET A 52 -4.461 -0.985 -7.261 1.00 0.00 C ATOM 788 C MET A 52 -3.850 0.317 -6.759 1.00 0.00 C ATOM 789 O MET A 52 -3.203 1.031 -7.521 1.00 0.00 O ATOM 790 CB MET A 52 -5.871 -0.774 -7.801 1.00 0.00 C ATOM 791 CG MET A 52 -6.406 -1.987 -8.534 1.00 0.00 C ATOM 792 SD MET A 52 -8.013 -1.709 -9.276 1.00 0.00 S ATOM 793 CE MET A 52 -8.351 -3.337 -9.927 1.00 0.00 C ATOM 0 H MET A 52 -5.344 -2.300 -5.897 1.00 0.00 H new ATOM 0 HA MET A 52 -3.847 -1.330 -8.093 1.00 0.00 H new ATOM 0 HB2 MET A 52 -6.539 -0.530 -6.975 1.00 0.00 H new ATOM 0 HB3 MET A 52 -5.873 0.082 -8.475 1.00 0.00 H new ATOM 0 HG2 MET A 52 -5.699 -2.275 -9.312 1.00 0.00 H new ATOM 0 HG3 MET A 52 -6.474 -2.824 -7.839 1.00 0.00 H new ATOM 0 HE1 MET A 52 -9.321 -3.336 -10.424 1.00 0.00 H new ATOM 0 HE2 MET A 52 -7.577 -3.610 -10.644 1.00 0.00 H new ATOM 0 HE3 MET A 52 -8.362 -4.060 -9.111 1.00 0.00 H new ATOM 803 N GLU A 53 -4.023 0.595 -5.470 1.00 0.00 N ATOM 804 CA GLU A 53 -3.395 1.742 -4.827 1.00 0.00 C ATOM 805 C GLU A 53 -1.890 1.562 -4.782 1.00 0.00 C ATOM 806 O GLU A 53 -1.153 2.490 -5.003 1.00 0.00 O ATOM 807 CB GLU A 53 -3.916 1.944 -3.406 1.00 0.00 C ATOM 808 CG GLU A 53 -5.324 2.498 -3.316 1.00 0.00 C ATOM 809 CD GLU A 53 -5.422 3.891 -3.892 1.00 0.00 C ATOM 810 OE1 GLU A 53 -4.878 4.850 -3.303 1.00 0.00 O ATOM 811 OE2 GLU A 53 -6.040 4.060 -4.950 1.00 0.00 O ATOM 0 H GLU A 53 -4.601 0.033 -4.845 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.646 2.623 -5.418 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.883 0.988 -2.883 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.241 2.619 -2.880 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.008 1.837 -3.848 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.641 2.514 -2.273 1.00 0.00 H new ATOM 818 N LEU A 54 -1.459 0.355 -4.502 1.00 0.00 N ATOM 819 CA LEU A 54 -0.052 0.012 -4.432 1.00 0.00 C ATOM 820 C LEU A 54 0.613 0.157 -5.799 1.00 0.00 C ATOM 821 O LEU A 54 1.703 0.715 -5.917 1.00 0.00 O ATOM 822 CB LEU A 54 0.088 -1.403 -3.914 1.00 0.00 C ATOM 823 CG LEU A 54 1.487 -1.872 -3.567 1.00 0.00 C ATOM 824 CD1 LEU A 54 2.160 -0.894 -2.620 1.00 0.00 C ATOM 825 CD2 LEU A 54 1.411 -3.236 -2.931 1.00 0.00 C ATOM 0 H LEU A 54 -2.082 -0.430 -4.313 1.00 0.00 H new ATOM 0 HA LEU A 54 0.450 0.697 -3.749 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.533 -1.501 -3.024 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.321 -2.081 -4.664 1.00 0.00 H new ATOM 0 HG LEU A 54 2.080 -1.926 -4.480 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.163 -1.249 -2.383 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.224 0.086 -3.094 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.577 -0.816 -1.703 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.415 -3.577 -2.680 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.809 -3.181 -2.024 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.954 -3.938 -3.628 1.00 0.00 H new ATOM 837 N ILE A 55 -0.071 -0.328 -6.811 1.00 0.00 N ATOM 838 CA ILE A 55 0.351 -0.194 -8.211 1.00 0.00 C ATOM 839 C ILE A 55 0.469 1.288 -8.558 1.00 0.00 C ATOM 840 O ILE A 55 1.402 1.688 -9.206 1.00 0.00 O ATOM 841 CB ILE A 55 -0.649 -0.918 -9.174 1.00 0.00 C ATOM 842 CG1 ILE A 55 -0.665 -2.432 -8.884 1.00 0.00 C ATOM 843 CG2 ILE A 55 -0.303 -0.658 -10.641 1.00 0.00 C ATOM 844 CD1 ILE A 55 -1.712 -3.218 -9.662 1.00 0.00 C ATOM 0 H ILE A 55 -0.949 -0.835 -6.697 1.00 0.00 H new ATOM 0 HA ILE A 55 1.323 -0.671 -8.338 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.644 -0.511 -8.992 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.319 -2.842 -9.110 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.836 -2.582 -7.818 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.018 -1.176 -11.281 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.346 0.413 -10.841 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.702 -1.025 -10.848 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.649 -4.273 -9.394 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.705 -2.840 -9.419 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -1.532 -3.104 -10.731 1.00 0.00 H new ATOM 856 N LYS A 56 -0.473 2.070 -8.064 1.00 0.00 N ATOM 857 CA LYS A 56 -0.503 3.533 -8.186 1.00 0.00 C ATOM 858 C LYS A 56 0.726 4.176 -7.512 1.00 0.00 C ATOM 859 O LYS A 56 1.346 5.086 -8.072 1.00 0.00 O ATOM 860 CB LYS A 56 -1.814 4.012 -7.550 1.00 0.00 C ATOM 861 CG LYS A 56 -1.882 5.441 -7.045 1.00 0.00 C ATOM 862 CD LYS A 56 -3.224 5.638 -6.375 1.00 0.00 C ATOM 863 CE LYS A 56 -3.351 6.966 -5.681 1.00 0.00 C ATOM 864 NZ LYS A 56 -4.640 7.060 -4.968 1.00 0.00 N ATOM 0 H LYS A 56 -1.271 1.700 -7.547 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.461 3.832 -9.233 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -2.609 3.879 -8.284 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -2.040 3.351 -6.713 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -1.073 5.635 -6.341 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -1.762 6.143 -7.870 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -4.012 5.549 -7.122 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -3.381 4.840 -5.650 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -2.529 7.094 -4.976 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -3.273 7.772 -6.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -4.731 8.003 -4.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -5.420 6.909 -5.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -4.679 6.335 -4.224 1.00 0.00 H new ATOM 878 N LYS A 57 1.077 3.675 -6.336 1.00 0.00 N ATOM 879 CA LYS A 57 2.221 4.170 -5.572 1.00 0.00 C ATOM 880 C LYS A 57 3.515 3.945 -6.345 1.00 0.00 C ATOM 881 O LYS A 57 4.294 4.871 -6.565 1.00 0.00 O ATOM 882 CB LYS A 57 2.310 3.462 -4.207 1.00 0.00 C ATOM 883 CG LYS A 57 1.080 3.597 -3.310 1.00 0.00 C ATOM 884 CD LYS A 57 0.690 5.043 -3.029 1.00 0.00 C ATOM 885 CE LYS A 57 1.742 5.767 -2.197 1.00 0.00 C ATOM 886 NZ LYS A 57 1.341 7.150 -1.908 1.00 0.00 N ATOM 0 H LYS A 57 0.577 2.911 -5.881 1.00 0.00 H new ATOM 0 HA LYS A 57 2.080 5.239 -5.410 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.497 2.402 -4.379 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.174 3.855 -3.670 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.239 3.087 -3.780 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.272 3.090 -2.364 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.548 5.570 -3.972 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.265 5.065 -2.505 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.901 5.230 -1.262 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.693 5.766 -2.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.079 7.614 -1.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.214 7.668 -2.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.446 7.148 -1.378 1.00 0.00 H new ATOM 900 N VAL A 58 3.700 2.721 -6.794 1.00 0.00 N ATOM 901 CA VAL A 58 4.891 2.325 -7.535 1.00 0.00 C ATOM 902 C VAL A 58 4.829 2.840 -8.985 1.00 0.00 C ATOM 903 O VAL A 58 5.821 2.884 -9.705 1.00 0.00 O ATOM 904 CB VAL A 58 5.035 0.795 -7.494 1.00 0.00 C ATOM 905 CG1 VAL A 58 6.342 0.297 -8.160 1.00 0.00 C ATOM 906 CG2 VAL A 58 4.972 0.321 -6.060 1.00 0.00 C ATOM 0 H VAL A 58 3.028 1.966 -6.657 1.00 0.00 H new ATOM 0 HA VAL A 58 5.769 2.772 -7.068 1.00 0.00 H new ATOM 0 HB VAL A 58 4.209 0.375 -8.068 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.389 -0.790 -8.101 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.358 0.605 -9.206 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.200 0.726 -7.643 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.074 -0.764 -6.031 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.781 0.777 -5.490 1.00 0.00 H new ATOM 0 HG23 VAL A 58 4.015 0.607 -5.624 1.00 0.00 H new ATOM 916 N SER A 59 3.661 3.215 -9.411 1.00 0.00 N ATOM 917 CA SER A 59 3.502 3.827 -10.713 1.00 0.00 C ATOM 918 C SER A 59 4.120 5.224 -10.681 1.00 0.00 C ATOM 919 O SER A 59 4.649 5.709 -11.681 1.00 0.00 O ATOM 920 CB SER A 59 2.021 3.907 -11.133 1.00 0.00 C ATOM 921 OG SER A 59 1.873 4.361 -12.471 1.00 0.00 O ATOM 0 H SER A 59 2.796 3.111 -8.881 1.00 0.00 H new ATOM 0 HA SER A 59 4.011 3.208 -11.452 1.00 0.00 H new ATOM 0 HB2 SER A 59 1.561 2.924 -11.030 1.00 0.00 H new ATOM 0 HB3 SER A 59 1.489 4.580 -10.460 1.00 0.00 H new ATOM 0 HG SER A 59 0.921 4.397 -12.701 1.00 0.00 H new ATOM 927 N ASN A 60 4.044 5.858 -9.526 1.00 0.00 N ATOM 928 CA ASN A 60 4.598 7.159 -9.337 1.00 0.00 C ATOM 929 C ASN A 60 6.081 7.029 -8.996 1.00 0.00 C ATOM 930 O ASN A 60 6.930 7.625 -9.643 1.00 0.00 O ATOM 931 CB ASN A 60 3.844 7.873 -8.227 1.00 0.00 C ATOM 932 CG ASN A 60 4.093 9.345 -8.242 1.00 0.00 C ATOM 933 OD1 ASN A 60 4.991 9.865 -7.582 1.00 0.00 O ATOM 934 ND2 ASN A 60 3.294 10.033 -8.998 1.00 0.00 N ATOM 0 H ASN A 60 3.592 5.472 -8.697 1.00 0.00 H new ATOM 0 HA ASN A 60 4.502 7.746 -10.251 1.00 0.00 H new ATOM 0 HB2 ASN A 60 2.776 7.684 -8.334 1.00 0.00 H new ATOM 0 HB3 ASN A 60 4.145 7.464 -7.262 1.00 0.00 H new ATOM 0 HD21 ASN A 60 3.398 11.046 -9.061 1.00 0.00 H new ATOM 0 HD22 ASN A 60 2.562 9.561 -9.529 1.00 0.00 H new ATOM 941 N ASN A 61 6.376 6.226 -7.999 1.00 0.00 N ATOM 942 CA ASN A 61 7.748 5.932 -7.601 1.00 0.00 C ATOM 943 C ASN A 61 8.014 4.475 -7.892 1.00 0.00 C ATOM 944 O ASN A 61 7.524 3.611 -7.178 1.00 0.00 O ATOM 945 CB ASN A 61 7.956 6.181 -6.096 1.00 0.00 C ATOM 946 CG ASN A 61 9.366 5.818 -5.613 1.00 0.00 C ATOM 947 OD1 ASN A 61 10.256 6.658 -5.561 1.00 0.00 O ATOM 948 ND2 ASN A 61 9.586 4.546 -5.329 1.00 0.00 N ATOM 0 H ASN A 61 5.672 5.752 -7.433 1.00 0.00 H new ATOM 0 HA ASN A 61 8.427 6.582 -8.153 1.00 0.00 H new ATOM 0 HB2 ASN A 61 7.763 7.231 -5.878 1.00 0.00 H new ATOM 0 HB3 ASN A 61 7.225 5.600 -5.534 1.00 0.00 H new ATOM 0 HD21 ASN A 61 10.520 4.238 -5.057 1.00 0.00 H new ATOM 0 HD22 ASN A 61 8.822 3.872 -5.382 1.00 0.00 H new ATOM 955 N THR A 62 8.775 4.183 -8.894 1.00 0.00 N ATOM 956 CA THR A 62 8.970 2.811 -9.246 1.00 0.00 C ATOM 957 C THR A 62 10.308 2.281 -8.781 1.00 0.00 C ATOM 958 O THR A 62 11.337 2.975 -8.854 1.00 0.00 O ATOM 959 CB THR A 62 8.749 2.570 -10.756 1.00 0.00 C ATOM 960 OG1 THR A 62 8.721 1.156 -11.056 1.00 0.00 O ATOM 961 CG2 THR A 62 9.806 3.252 -11.620 1.00 0.00 C ATOM 0 H THR A 62 9.266 4.861 -9.477 1.00 0.00 H new ATOM 0 HA THR A 62 8.209 2.241 -8.713 1.00 0.00 H new ATOM 0 HB THR A 62 7.783 3.014 -10.997 1.00 0.00 H new ATOM 0 HG1 THR A 62 8.578 1.028 -12.017 1.00 0.00 H new ATOM 0 HG21 THR A 62 9.602 3.050 -12.672 1.00 0.00 H new ATOM 0 HG22 THR A 62 9.780 4.328 -11.446 1.00 0.00 H new ATOM 0 HG23 THR A 62 10.792 2.866 -11.361 1.00 0.00 H new ATOM 969 N SER A 63 10.278 1.096 -8.223 1.00 0.00 N ATOM 970 CA SER A 63 11.453 0.395 -7.809 1.00 0.00 C ATOM 971 C SER A 63 11.185 -1.109 -7.878 1.00 0.00 C ATOM 972 O SER A 63 10.666 -1.681 -6.915 1.00 0.00 O ATOM 973 CB SER A 63 11.918 0.843 -6.408 1.00 0.00 C ATOM 974 OG SER A 63 12.277 2.230 -6.407 1.00 0.00 O ATOM 975 OXT SER A 63 11.433 -1.712 -8.949 1.00 0.00 O ATOM 0 H SER A 63 9.413 0.586 -8.043 1.00 0.00 H new ATOM 0 HA SER A 63 12.274 0.634 -8.485 1.00 0.00 H new ATOM 0 HB2 SER A 63 11.122 0.669 -5.684 1.00 0.00 H new ATOM 0 HB3 SER A 63 12.772 0.242 -6.095 1.00 0.00 H new ATOM 0 HG SER A 63 12.112 2.611 -7.295 1.00 0.00 H new TER 981 SER A 63 HETATM 982 CA CA A 101 8.509 -1.523 0.278 1.00 0.00 CA HETATM 983 CA CA A 102 -8.254 -2.032 1.721 1.00 0.00 CA