USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 600 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 7 MET CE :methyl 150:sc= -0.0563 (180deg=-0.776) USER MOD Set 1.2: A 12 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 10 MET CE :methyl 163:sc= -0.0431 (180deg=-0.526) USER MOD Set 2.2: A 76 GLN : amide:sc= 0 X(o=-0.043,f=-0.3) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 145:sc= -0.0984 (180deg=-0.697) USER MOD Single : A 5 HIS : no HD1:sc= -0.226 X(o=-0.23,f=-0.11) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0.0298 USER MOD Single : A 17 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.259) USER MOD Single : A 18 HIS : no HD1:sc= -0.999 K(o=-1,f=-3.7!) USER MOD Single : A 20 HIS : no HD1:sc= -4.55! C(o=-4.5!,f=-9.4!) USER MOD Single : A 24 CYS SG : rot 180:sc= -0.4 USER MOD Single : A 28 LYS NZ :NH3+ -162:sc= -0.0981 (180deg=-0.544) USER MOD Single : A 33 SER OG : rot 30:sc= -4.88! USER MOD Single : A 35 SER OG : rot -119:sc= -2.6! USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ -118:sc= 0 (180deg=-0.282) USER MOD Single : A 47 GLN : amide:sc= -0.219 X(o=-0.22,f=-0.075) USER MOD Single : A 49 LYS NZ :NH3+ -104:sc= -0.278 (180deg=-1.62!) USER MOD Single : A 56 THR OG1 : rot -64:sc= 0.0732 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -0.622 X(o=-0.62,f=-0.16) USER MOD Single : A 67 THR OG1 : rot 83:sc= 0.526 USER MOD Single : A 69 SER OG : rot 81:sc= 0.00126 USER MOD Single : A 73 HIS : no HD1:sc= -1.55 X(o=-1.6,f=-1.9) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.450 -14.414 12.872 1.00 0.00 N ATOM 2 CA GLY A 1 -22.272 -14.878 11.468 1.00 0.00 C ATOM 3 C GLY A 1 -21.992 -13.738 10.508 1.00 0.00 C ATOM 4 O GLY A 1 -21.012 -13.769 9.764 1.00 0.00 O ATOM 0 H1 GLY A 1 -22.639 -15.232 13.487 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.585 -13.933 13.191 1.00 0.00 H new ATOM 0 H3 GLY A 1 -23.251 -13.753 12.920 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.450 -15.593 11.427 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -23.170 -15.406 11.147 1.00 0.00 H new ATOM 10 N SER A 2 -22.856 -12.728 10.526 1.00 0.00 N ATOM 11 CA SER A 2 -22.699 -11.572 9.652 1.00 0.00 C ATOM 12 C SER A 2 -21.934 -10.457 10.359 1.00 0.00 C ATOM 13 O SER A 2 -21.826 -10.446 11.585 1.00 0.00 O ATOM 14 CB SER A 2 -24.067 -11.061 9.194 1.00 0.00 C ATOM 15 OG SER A 2 -24.237 -11.241 7.798 1.00 0.00 O ATOM 0 H SER A 2 -23.672 -12.687 11.137 1.00 0.00 H new ATOM 0 HA SER A 2 -22.127 -11.883 8.778 1.00 0.00 H new ATOM 0 HB2 SER A 2 -24.855 -11.590 9.731 1.00 0.00 H new ATOM 0 HB3 SER A 2 -24.166 -10.004 9.442 1.00 0.00 H new ATOM 0 HG SER A 2 -25.119 -10.908 7.530 1.00 0.00 H new ATOM 21 N MET A 3 -21.406 -9.522 9.577 1.00 0.00 N ATOM 22 CA MET A 3 -20.651 -8.402 10.128 1.00 0.00 C ATOM 23 C MET A 3 -21.557 -7.477 10.933 1.00 0.00 C ATOM 24 O MET A 3 -22.757 -7.722 11.060 1.00 0.00 O ATOM 25 CB MET A 3 -19.969 -7.616 9.006 1.00 0.00 C ATOM 26 CG MET A 3 -18.608 -7.060 9.394 1.00 0.00 C ATOM 27 SD MET A 3 -17.262 -7.763 8.421 1.00 0.00 S ATOM 28 CE MET A 3 -17.729 -7.241 6.772 1.00 0.00 C ATOM 0 H MET A 3 -21.487 -9.517 8.560 1.00 0.00 H new ATOM 0 HA MET A 3 -19.889 -8.805 10.795 1.00 0.00 H new ATOM 0 HB2 MET A 3 -19.853 -8.264 8.138 1.00 0.00 H new ATOM 0 HB3 MET A 3 -20.616 -6.792 8.705 1.00 0.00 H new ATOM 0 HG2 MET A 3 -18.614 -5.977 9.268 1.00 0.00 H new ATOM 0 HG3 MET A 3 -18.428 -7.257 10.451 1.00 0.00 H new ATOM 0 HE1 MET A 3 -16.833 -7.020 6.193 1.00 0.00 H new ATOM 0 HE2 MET A 3 -18.289 -8.038 6.283 1.00 0.00 H new ATOM 0 HE3 MET A 3 -18.350 -6.347 6.835 1.00 0.00 H new ATOM 38 N ILE A 4 -20.972 -6.414 11.474 1.00 0.00 N ATOM 39 CA ILE A 4 -21.726 -5.449 12.268 1.00 0.00 C ATOM 40 C ILE A 4 -21.169 -4.035 12.107 1.00 0.00 C ATOM 41 O ILE A 4 -21.914 -3.057 12.168 1.00 0.00 O ATOM 42 CB ILE A 4 -21.732 -5.832 13.764 1.00 0.00 C ATOM 43 CG1 ILE A 4 -22.697 -4.931 14.541 1.00 0.00 C ATOM 44 CG2 ILE A 4 -20.329 -5.751 14.350 1.00 0.00 C ATOM 45 CD1 ILE A 4 -23.692 -5.700 15.383 1.00 0.00 C ATOM 0 H ILE A 4 -19.980 -6.198 11.378 1.00 0.00 H new ATOM 0 HA ILE A 4 -22.750 -5.468 11.895 1.00 0.00 H new ATOM 0 HB ILE A 4 -22.074 -6.863 13.853 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -22.122 -4.267 15.187 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -23.239 -4.300 13.837 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -20.359 -6.025 15.405 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -19.671 -6.436 13.815 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -19.951 -4.733 14.250 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -24.344 -5.000 15.906 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -24.292 -6.344 14.740 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -23.158 -6.311 16.111 1.00 0.00 H new ATOM 57 N HIS A 5 -19.858 -3.932 11.903 1.00 0.00 N ATOM 58 CA HIS A 5 -19.210 -2.638 11.733 1.00 0.00 C ATOM 59 C HIS A 5 -18.319 -2.637 10.495 1.00 0.00 C ATOM 60 O HIS A 5 -17.834 -3.685 10.068 1.00 0.00 O ATOM 61 CB HIS A 5 -18.382 -2.293 12.975 1.00 0.00 C ATOM 62 CG HIS A 5 -18.933 -1.146 13.763 1.00 0.00 C ATOM 63 ND1 HIS A 5 -18.152 -0.330 14.553 1.00 0.00 N ATOM 64 CD2 HIS A 5 -20.198 -0.676 13.879 1.00 0.00 C ATOM 65 CE1 HIS A 5 -18.908 0.591 15.121 1.00 0.00 C ATOM 66 NE2 HIS A 5 -20.155 0.403 14.728 1.00 0.00 N ATOM 0 H HIS A 5 -19.225 -4.730 11.852 1.00 0.00 H new ATOM 0 HA HIS A 5 -19.985 -1.883 11.601 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -18.325 -3.171 13.619 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -17.363 -2.056 12.668 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -21.077 -1.075 13.394 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -18.566 1.365 15.792 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -20.956 0.968 15.009 1.00 0.00 H new ATOM 74 N ARG A 6 -18.107 -1.457 9.923 1.00 0.00 N ATOM 75 CA ARG A 6 -17.273 -1.324 8.735 1.00 0.00 C ATOM 76 C ARG A 6 -16.012 -0.523 9.044 1.00 0.00 C ATOM 77 O ARG A 6 -16.077 0.549 9.646 1.00 0.00 O ATOM 78 CB ARG A 6 -18.056 -0.650 7.606 1.00 0.00 C ATOM 79 CG ARG A 6 -18.755 -1.632 6.680 1.00 0.00 C ATOM 80 CD ARG A 6 -18.073 -1.708 5.324 1.00 0.00 C ATOM 81 NE ARG A 6 -18.950 -2.270 4.300 1.00 0.00 N ATOM 82 CZ ARG A 6 -19.141 -3.577 4.121 1.00 0.00 C ATOM 83 NH1 ARG A 6 -18.515 -4.459 4.891 1.00 0.00 N ATOM 84 NH2 ARG A 6 -19.958 -4.001 3.167 1.00 0.00 N ATOM 0 H ARG A 6 -18.501 -0.580 10.263 1.00 0.00 H new ATOM 0 HA ARG A 6 -16.979 -2.324 8.415 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -18.799 0.019 8.040 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -17.374 -0.033 7.020 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -18.765 -2.621 7.138 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -19.794 -1.331 6.548 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -17.756 -0.710 5.021 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -17.173 -2.318 5.405 1.00 0.00 H new ATOM 0 HE ARG A 6 -19.446 -1.624 3.686 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -17.884 -4.138 5.625 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -18.666 -5.458 4.749 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -20.439 -3.327 2.571 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -20.105 -5.001 3.029 1.00 0.00 H new ATOM 98 N MET A 7 -14.865 -1.052 8.627 1.00 0.00 N ATOM 99 CA MET A 7 -13.586 -0.389 8.856 1.00 0.00 C ATOM 100 C MET A 7 -13.276 -0.302 10.348 1.00 0.00 C ATOM 101 O MET A 7 -13.369 0.765 10.954 1.00 0.00 O ATOM 102 CB MET A 7 -13.593 1.011 8.237 1.00 0.00 C ATOM 103 CG MET A 7 -12.320 1.344 7.477 1.00 0.00 C ATOM 104 SD MET A 7 -12.635 2.285 5.972 1.00 0.00 S ATOM 105 CE MET A 7 -10.974 2.797 5.539 1.00 0.00 C ATOM 0 H MET A 7 -14.796 -1.939 8.128 1.00 0.00 H new ATOM 0 HA MET A 7 -12.807 -0.983 8.378 1.00 0.00 H new ATOM 0 HB2 MET A 7 -14.443 1.096 7.561 1.00 0.00 H new ATOM 0 HB3 MET A 7 -13.739 1.748 9.027 1.00 0.00 H new ATOM 0 HG2 MET A 7 -11.654 1.914 8.124 1.00 0.00 H new ATOM 0 HG3 MET A 7 -11.802 0.420 7.221 1.00 0.00 H new ATOM 0 HE1 MET A 7 -10.895 2.898 4.457 1.00 0.00 H new ATOM 0 HE2 MET A 7 -10.754 3.755 6.010 1.00 0.00 H new ATOM 0 HE3 MET A 7 -10.261 2.050 5.887 1.00 0.00 H new ATOM 115 N SER A 8 -12.904 -1.435 10.935 1.00 0.00 N ATOM 116 CA SER A 8 -12.574 -1.490 12.353 1.00 0.00 C ATOM 117 C SER A 8 -11.069 -1.635 12.551 1.00 0.00 C ATOM 118 O SER A 8 -10.446 -0.850 13.265 1.00 0.00 O ATOM 119 CB SER A 8 -13.304 -2.655 13.026 1.00 0.00 C ATOM 120 OG SER A 8 -14.672 -2.349 13.235 1.00 0.00 O ATOM 0 H SER A 8 -12.824 -2.328 10.449 1.00 0.00 H new ATOM 0 HA SER A 8 -12.897 -0.557 12.814 1.00 0.00 H new ATOM 0 HB2 SER A 8 -13.219 -3.548 12.407 1.00 0.00 H new ATOM 0 HB3 SER A 8 -12.829 -2.883 13.980 1.00 0.00 H new ATOM 0 HG SER A 8 -15.116 -3.110 13.664 1.00 0.00 H new ATOM 126 N ASN A 9 -10.493 -2.645 11.908 1.00 0.00 N ATOM 127 CA ASN A 9 -9.060 -2.899 12.006 1.00 0.00 C ATOM 128 C ASN A 9 -8.427 -3.015 10.619 1.00 0.00 C ATOM 129 O ASN A 9 -7.269 -2.645 10.423 1.00 0.00 O ATOM 130 CB ASN A 9 -8.799 -4.175 12.809 1.00 0.00 C ATOM 131 CG ASN A 9 -8.393 -3.883 14.240 1.00 0.00 C ATOM 132 OD1 ASN A 9 -9.144 -3.269 14.998 1.00 0.00 O ATOM 133 ND2 ASN A 9 -7.198 -4.321 14.617 1.00 0.00 N ATOM 0 H ASN A 9 -10.997 -3.302 11.313 1.00 0.00 H new ATOM 0 HA ASN A 9 -8.603 -2.054 12.522 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -9.697 -4.792 12.808 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -8.014 -4.754 12.322 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -6.870 -4.153 15.568 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -6.608 -4.826 13.956 1.00 0.00 H new ATOM 140 N MET A 10 -9.193 -3.529 9.660 1.00 0.00 N ATOM 141 CA MET A 10 -8.703 -3.690 8.296 1.00 0.00 C ATOM 142 C MET A 10 -8.782 -2.376 7.529 1.00 0.00 C ATOM 143 O MET A 10 -9.857 -1.791 7.389 1.00 0.00 O ATOM 144 CB MET A 10 -9.512 -4.760 7.562 1.00 0.00 C ATOM 145 CG MET A 10 -9.743 -6.020 8.379 1.00 0.00 C ATOM 146 SD MET A 10 -11.116 -7.010 7.755 1.00 0.00 S ATOM 147 CE MET A 10 -10.815 -6.936 5.990 1.00 0.00 C ATOM 0 H MET A 10 -10.154 -3.840 9.803 1.00 0.00 H new ATOM 0 HA MET A 10 -7.660 -4.001 8.351 1.00 0.00 H new ATOM 0 HB2 MET A 10 -10.477 -4.341 7.277 1.00 0.00 H new ATOM 0 HB3 MET A 10 -8.994 -5.025 6.640 1.00 0.00 H new ATOM 0 HG2 MET A 10 -8.835 -6.622 8.375 1.00 0.00 H new ATOM 0 HG3 MET A 10 -9.939 -5.746 9.415 1.00 0.00 H new ATOM 0 HE1 MET A 10 -11.378 -7.725 5.492 1.00 0.00 H new ATOM 0 HE2 MET A 10 -11.133 -5.966 5.607 1.00 0.00 H new ATOM 0 HE3 MET A 10 -9.751 -7.071 5.796 1.00 0.00 H new ATOM 157 N ALA A 11 -7.642 -1.920 7.027 1.00 0.00 N ATOM 158 CA ALA A 11 -7.588 -0.679 6.265 1.00 0.00 C ATOM 159 C ALA A 11 -7.879 -0.938 4.793 1.00 0.00 C ATOM 160 O ALA A 11 -7.352 -1.879 4.201 1.00 0.00 O ATOM 161 CB ALA A 11 -6.229 -0.015 6.430 1.00 0.00 C ATOM 0 H ALA A 11 -6.743 -2.390 7.133 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.353 -0.006 6.651 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -6.204 0.911 5.855 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -6.058 0.207 7.483 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -5.450 -0.687 6.070 1.00 0.00 H new ATOM 167 N THR A 12 -8.722 -0.099 4.205 1.00 0.00 N ATOM 168 CA THR A 12 -9.079 -0.237 2.799 1.00 0.00 C ATOM 169 C THR A 12 -8.952 1.104 2.085 1.00 0.00 C ATOM 170 O THR A 12 -9.428 2.128 2.575 1.00 0.00 O ATOM 171 CB THR A 12 -10.499 -0.788 2.662 1.00 0.00 C ATOM 172 OG1 THR A 12 -11.211 -0.642 3.878 1.00 0.00 O ATOM 173 CG2 THR A 12 -10.535 -2.255 2.287 1.00 0.00 C ATOM 0 H THR A 12 -9.171 0.684 4.680 1.00 0.00 H new ATOM 0 HA THR A 12 -8.390 -0.941 2.332 1.00 0.00 H new ATOM 0 HB THR A 12 -10.959 -0.210 1.861 1.00 0.00 H new ATOM 0 HG1 THR A 12 -12.118 -0.998 3.771 1.00 0.00 H new ATOM 0 HG21 THR A 12 -11.571 -2.584 2.206 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.032 -2.398 1.331 1.00 0.00 H new ATOM 0 HG23 THR A 12 -10.028 -2.839 3.055 1.00 0.00 H new ATOM 181 N PHE A 13 -8.291 1.093 0.933 1.00 0.00 N ATOM 182 CA PHE A 13 -8.079 2.309 0.155 1.00 0.00 C ATOM 183 C PHE A 13 -8.893 2.297 -1.139 1.00 0.00 C ATOM 184 O PHE A 13 -9.396 1.254 -1.561 1.00 0.00 O ATOM 185 CB PHE A 13 -6.591 2.455 -0.168 1.00 0.00 C ATOM 186 CG PHE A 13 -6.230 3.770 -0.792 1.00 0.00 C ATOM 187 CD1 PHE A 13 -6.438 4.958 -0.108 1.00 0.00 C ATOM 188 CD2 PHE A 13 -5.677 3.817 -2.060 1.00 0.00 C ATOM 189 CE1 PHE A 13 -6.099 6.169 -0.682 1.00 0.00 C ATOM 190 CE2 PHE A 13 -5.337 5.025 -2.639 1.00 0.00 C ATOM 191 CZ PHE A 13 -5.548 6.202 -1.948 1.00 0.00 C ATOM 0 H PHE A 13 -7.891 0.253 0.516 1.00 0.00 H new ATOM 0 HA PHE A 13 -8.415 3.157 0.751 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -6.016 2.330 0.750 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -6.295 1.651 -0.842 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -6.869 4.937 0.882 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -5.509 2.899 -2.603 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -6.265 7.089 -0.141 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.907 5.049 -3.630 1.00 0.00 H new ATOM 0 HZ PHE A 13 -5.282 7.148 -2.397 1.00 0.00 H new ATOM 201 N SER A 14 -9.013 3.466 -1.768 1.00 0.00 N ATOM 202 CA SER A 14 -9.758 3.598 -3.018 1.00 0.00 C ATOM 203 C SER A 14 -8.811 3.650 -4.215 1.00 0.00 C ATOM 204 O SER A 14 -7.743 4.259 -4.148 1.00 0.00 O ATOM 205 CB SER A 14 -10.628 4.857 -2.989 1.00 0.00 C ATOM 206 OG SER A 14 -10.079 5.837 -2.125 1.00 0.00 O ATOM 0 H SER A 14 -8.602 4.337 -1.431 1.00 0.00 H new ATOM 0 HA SER A 14 -10.399 2.723 -3.122 1.00 0.00 H new ATOM 0 HB2 SER A 14 -10.717 5.264 -3.996 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.635 4.600 -2.659 1.00 0.00 H new ATOM 0 HG SER A 14 -10.652 6.632 -2.126 1.00 0.00 H new ATOM 212 N LEU A 15 -9.203 2.995 -5.304 1.00 0.00 N ATOM 213 CA LEU A 15 -8.378 2.958 -6.511 1.00 0.00 C ATOM 214 C LEU A 15 -9.223 3.030 -7.783 1.00 0.00 C ATOM 215 O LEU A 15 -8.814 3.629 -8.777 1.00 0.00 O ATOM 216 CB LEU A 15 -7.536 1.681 -6.524 1.00 0.00 C ATOM 217 CG LEU A 15 -6.037 1.890 -6.734 1.00 0.00 C ATOM 218 CD1 LEU A 15 -5.279 0.596 -6.471 1.00 0.00 C ATOM 219 CD2 LEU A 15 -5.763 2.398 -8.141 1.00 0.00 C ATOM 0 H LEU A 15 -10.083 2.484 -5.377 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.728 3.833 -6.494 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.684 1.158 -5.579 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -7.909 1.027 -7.312 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.688 2.642 -6.026 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.213 0.761 -6.625 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.452 0.275 -5.444 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.629 -0.176 -7.156 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.691 2.542 -8.274 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -6.124 1.670 -8.867 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.277 3.347 -8.292 1.00 0.00 H new ATOM 231 N GLY A 16 -10.394 2.403 -7.748 1.00 0.00 N ATOM 232 CA GLY A 16 -11.272 2.391 -8.908 1.00 0.00 C ATOM 233 C GLY A 16 -11.477 3.765 -9.515 1.00 0.00 C ATOM 234 O GLY A 16 -11.691 3.892 -10.720 1.00 0.00 O ATOM 0 H GLY A 16 -10.753 1.901 -6.936 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -10.856 1.725 -9.664 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -12.239 1.980 -8.619 1.00 0.00 H new ATOM 238 N LYS A 17 -11.411 4.794 -8.680 1.00 0.00 N ATOM 239 CA LYS A 17 -11.591 6.165 -9.143 1.00 0.00 C ATOM 240 C LYS A 17 -10.606 6.494 -10.263 1.00 0.00 C ATOM 241 O LYS A 17 -10.922 7.254 -11.178 1.00 0.00 O ATOM 242 CB LYS A 17 -11.410 7.141 -7.980 1.00 0.00 C ATOM 243 CG LYS A 17 -12.390 8.302 -8.001 1.00 0.00 C ATOM 244 CD LYS A 17 -12.045 9.345 -6.950 1.00 0.00 C ATOM 245 CE LYS A 17 -13.091 9.401 -5.848 1.00 0.00 C ATOM 246 NZ LYS A 17 -13.294 8.074 -5.203 1.00 0.00 N ATOM 0 H LYS A 17 -11.234 4.706 -7.679 1.00 0.00 H new ATOM 0 HA LYS A 17 -12.603 6.264 -9.536 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -11.522 6.599 -7.041 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -10.394 7.534 -8.002 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -12.386 8.764 -8.988 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -13.400 7.930 -7.827 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.072 9.116 -6.516 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.961 10.324 -7.422 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.785 10.127 -5.095 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -14.036 9.751 -6.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.704 8.207 -4.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -13.940 7.502 -5.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.380 7.585 -5.119 1.00 0.00 H new ATOM 260 N HIS A 18 -9.409 5.921 -10.175 1.00 0.00 N ATOM 261 CA HIS A 18 -8.366 6.151 -11.169 1.00 0.00 C ATOM 262 C HIS A 18 -7.995 4.850 -11.881 1.00 0.00 C ATOM 263 O HIS A 18 -8.322 3.762 -11.405 1.00 0.00 O ATOM 264 CB HIS A 18 -7.136 6.754 -10.488 1.00 0.00 C ATOM 265 CG HIS A 18 -7.460 7.933 -9.624 1.00 0.00 C ATOM 266 ND1 HIS A 18 -8.629 8.655 -9.746 1.00 0.00 N ATOM 267 CD2 HIS A 18 -6.764 8.519 -8.621 1.00 0.00 C ATOM 268 CE1 HIS A 18 -8.639 9.632 -8.858 1.00 0.00 C ATOM 269 NE2 HIS A 18 -7.519 9.571 -8.162 1.00 0.00 N ATOM 0 H HIS A 18 -9.137 5.291 -9.421 1.00 0.00 H new ATOM 0 HA HIS A 18 -8.742 6.848 -11.918 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -6.653 5.988 -9.881 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -6.418 7.057 -11.250 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -5.796 8.216 -8.251 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -9.428 10.357 -8.724 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -7.257 10.203 -7.406 1.00 0.00 H new ATOM 277 N PRO A 19 -7.304 4.939 -13.034 1.00 0.00 N ATOM 278 CA PRO A 19 -6.892 3.757 -13.802 1.00 0.00 C ATOM 279 C PRO A 19 -6.063 2.792 -12.963 1.00 0.00 C ATOM 280 O PRO A 19 -6.160 1.576 -13.118 1.00 0.00 O ATOM 281 CB PRO A 19 -6.046 4.338 -14.945 1.00 0.00 C ATOM 282 CG PRO A 19 -5.704 5.723 -14.512 1.00 0.00 C ATOM 283 CD PRO A 19 -6.864 6.184 -13.681 1.00 0.00 C ATOM 0 HA PRO A 19 -7.748 3.179 -14.149 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -5.147 3.744 -15.111 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.602 4.344 -15.883 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.779 5.736 -13.935 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -5.553 6.376 -15.371 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -6.567 6.938 -12.952 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -7.652 6.625 -14.292 1.00 0.00 H new ATOM 291 N HIS A 20 -5.256 3.354 -12.070 1.00 0.00 N ATOM 292 CA HIS A 20 -4.399 2.576 -11.180 1.00 0.00 C ATOM 293 C HIS A 20 -3.514 3.522 -10.372 1.00 0.00 C ATOM 294 O HIS A 20 -3.635 4.740 -10.491 1.00 0.00 O ATOM 295 CB HIS A 20 -3.546 1.573 -11.972 1.00 0.00 C ATOM 296 CG HIS A 20 -2.373 2.187 -12.666 1.00 0.00 C ATOM 297 ND1 HIS A 20 -1.384 2.867 -11.997 1.00 0.00 N ATOM 298 CD2 HIS A 20 -2.031 2.221 -13.975 1.00 0.00 C ATOM 299 CE1 HIS A 20 -0.487 3.297 -12.856 1.00 0.00 C ATOM 300 NE2 HIS A 20 -0.852 2.918 -14.067 1.00 0.00 N ATOM 0 H HIS A 20 -5.177 4.363 -11.942 1.00 0.00 H new ATOM 0 HA HIS A 20 -5.027 2.003 -10.497 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -3.189 0.799 -11.292 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -4.176 1.081 -12.712 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -2.582 1.782 -14.794 1.00 0.00 H new ATOM 0 HE1 HIS A 20 0.399 3.865 -12.612 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -0.342 3.111 -14.929 1.00 0.00 H new ATOM 308 N VAL A 21 -2.618 2.967 -9.563 1.00 0.00 N ATOM 309 CA VAL A 21 -1.720 3.799 -8.759 1.00 0.00 C ATOM 310 C VAL A 21 -0.343 3.176 -8.592 1.00 0.00 C ATOM 311 O VAL A 21 -0.151 1.984 -8.823 1.00 0.00 O ATOM 312 CB VAL A 21 -2.278 4.061 -7.352 1.00 0.00 C ATOM 313 CG1 VAL A 21 -3.467 5.009 -7.401 1.00 0.00 C ATOM 314 CG2 VAL A 21 -2.650 2.752 -6.681 1.00 0.00 C ATOM 0 H VAL A 21 -2.492 1.962 -9.445 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.638 4.735 -9.312 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.500 4.542 -6.759 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.841 5.176 -6.391 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.157 5.960 -7.835 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.256 4.571 -8.012 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.044 2.953 -5.685 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.408 2.241 -7.275 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.766 2.120 -6.601 1.00 0.00 H new ATOM 324 N GLU A 22 0.608 4.002 -8.166 1.00 0.00 N ATOM 325 CA GLU A 22 1.973 3.556 -7.935 1.00 0.00 C ATOM 326 C GLU A 22 2.202 3.309 -6.446 1.00 0.00 C ATOM 327 O GLU A 22 1.535 3.908 -5.602 1.00 0.00 O ATOM 328 CB GLU A 22 2.969 4.592 -8.458 1.00 0.00 C ATOM 329 CG GLU A 22 2.882 5.932 -7.747 1.00 0.00 C ATOM 330 CD GLU A 22 2.836 7.104 -8.710 1.00 0.00 C ATOM 331 OE1 GLU A 22 2.306 6.933 -9.828 1.00 0.00 O ATOM 332 OE2 GLU A 22 3.329 8.192 -8.346 1.00 0.00 O ATOM 0 H GLU A 22 0.453 4.992 -7.973 1.00 0.00 H new ATOM 0 HA GLU A 22 2.129 2.622 -8.474 1.00 0.00 H new ATOM 0 HB2 GLU A 22 3.980 4.198 -8.351 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.797 4.744 -9.524 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.991 5.948 -7.119 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.741 6.044 -7.085 1.00 0.00 H new ATOM 339 N LEU A 23 3.140 2.417 -6.131 1.00 0.00 N ATOM 340 CA LEU A 23 3.453 2.075 -4.741 1.00 0.00 C ATOM 341 C LEU A 23 3.470 3.308 -3.834 1.00 0.00 C ATOM 342 O LEU A 23 2.975 3.263 -2.708 1.00 0.00 O ATOM 343 CB LEU A 23 4.802 1.356 -4.667 1.00 0.00 C ATOM 344 CG LEU A 23 4.880 0.043 -5.451 1.00 0.00 C ATOM 345 CD1 LEU A 23 6.297 -0.200 -5.945 1.00 0.00 C ATOM 346 CD2 LEU A 23 4.405 -1.120 -4.592 1.00 0.00 C ATOM 0 H LEU A 23 3.699 1.916 -6.821 1.00 0.00 H new ATOM 0 HA LEU A 23 2.664 1.414 -4.383 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.576 2.029 -5.037 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.031 1.151 -3.621 1.00 0.00 H new ATOM 0 HG LEU A 23 4.224 0.120 -6.318 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.333 -1.137 -6.500 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.601 0.619 -6.597 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.975 -0.256 -5.093 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.467 -2.045 -5.165 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.035 -1.199 -3.706 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.372 -0.950 -4.289 1.00 0.00 H new ATOM 358 N CYS A 24 4.049 4.402 -4.323 1.00 0.00 N ATOM 359 CA CYS A 24 4.134 5.635 -3.542 1.00 0.00 C ATOM 360 C CYS A 24 2.765 6.299 -3.390 1.00 0.00 C ATOM 361 O CYS A 24 2.443 6.837 -2.331 1.00 0.00 O ATOM 362 CB CYS A 24 5.116 6.609 -4.200 1.00 0.00 C ATOM 363 SG CYS A 24 5.259 8.205 -3.359 1.00 0.00 S ATOM 0 H CYS A 24 4.465 4.461 -5.252 1.00 0.00 H new ATOM 0 HA CYS A 24 4.494 5.374 -2.547 1.00 0.00 H new ATOM 0 HB2 CYS A 24 6.100 6.143 -4.239 1.00 0.00 H new ATOM 0 HB3 CYS A 24 4.804 6.781 -5.230 1.00 0.00 H new ATOM 0 HG CYS A 24 6.113 8.954 -3.991 1.00 0.00 H new ATOM 369 N ASP A 25 1.965 6.262 -4.452 1.00 0.00 N ATOM 370 CA ASP A 25 0.636 6.866 -4.428 1.00 0.00 C ATOM 371 C ASP A 25 -0.255 6.174 -3.406 1.00 0.00 C ATOM 372 O ASP A 25 -0.729 6.796 -2.455 1.00 0.00 O ATOM 373 CB ASP A 25 -0.011 6.789 -5.811 1.00 0.00 C ATOM 374 CG ASP A 25 0.483 7.877 -6.746 1.00 0.00 C ATOM 375 OD1 ASP A 25 1.359 8.666 -6.332 1.00 0.00 O ATOM 376 OD2 ASP A 25 -0.007 7.942 -7.893 1.00 0.00 O ATOM 0 H ASP A 25 2.213 5.821 -5.338 1.00 0.00 H new ATOM 0 HA ASP A 25 0.748 7.912 -4.144 1.00 0.00 H new ATOM 0 HB2 ASP A 25 0.197 5.814 -6.252 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -1.093 6.868 -5.707 1.00 0.00 H new ATOM 381 N LEU A 26 -0.478 4.881 -3.611 1.00 0.00 N ATOM 382 CA LEU A 26 -1.310 4.089 -2.713 1.00 0.00 C ATOM 383 C LEU A 26 -0.875 4.269 -1.262 1.00 0.00 C ATOM 384 O LEU A 26 -1.705 4.393 -0.363 1.00 0.00 O ATOM 385 CB LEU A 26 -1.224 2.610 -3.098 1.00 0.00 C ATOM 386 CG LEU A 26 -2.383 1.740 -2.609 1.00 0.00 C ATOM 387 CD1 LEU A 26 -3.312 1.397 -3.763 1.00 0.00 C ATOM 388 CD2 LEU A 26 -1.858 0.471 -1.956 1.00 0.00 C ATOM 0 H LEU A 26 -0.092 4.356 -4.396 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.340 4.433 -2.808 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.169 2.537 -4.184 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.293 2.202 -2.704 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.947 2.303 -1.865 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.132 0.778 -3.399 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.714 2.315 -4.192 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.757 0.852 -4.527 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.696 -0.136 -1.614 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.272 -0.095 -2.680 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.229 0.733 -1.105 1.00 0.00 H new ATOM 400 N LEU A 27 0.435 4.275 -1.049 1.00 0.00 N ATOM 401 CA LEU A 27 1.002 4.427 0.286 1.00 0.00 C ATOM 402 C LEU A 27 0.753 5.821 0.851 1.00 0.00 C ATOM 403 O LEU A 27 0.057 5.980 1.854 1.00 0.00 O ATOM 404 CB LEU A 27 2.504 4.150 0.234 1.00 0.00 C ATOM 405 CG LEU A 27 2.903 2.684 0.404 1.00 0.00 C ATOM 406 CD1 LEU A 27 1.966 1.765 -0.368 1.00 0.00 C ATOM 407 CD2 LEU A 27 4.338 2.477 -0.043 1.00 0.00 C ATOM 0 H LEU A 27 1.130 4.176 -1.789 1.00 0.00 H new ATOM 0 HA LEU A 27 0.511 3.711 0.945 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.890 4.506 -0.721 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.992 4.735 1.013 1.00 0.00 H new ATOM 0 HG LEU A 27 2.823 2.430 1.461 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.275 0.729 -0.228 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.947 1.893 -0.001 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.004 2.014 -1.428 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.611 1.429 0.083 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.436 2.754 -1.093 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.000 3.099 0.559 1.00 0.00 H new ATOM 419 N LYS A 28 1.340 6.827 0.207 1.00 0.00 N ATOM 420 CA LYS A 28 1.200 8.215 0.646 1.00 0.00 C ATOM 421 C LYS A 28 -0.241 8.541 1.034 1.00 0.00 C ATOM 422 O LYS A 28 -0.520 8.902 2.176 1.00 0.00 O ATOM 423 CB LYS A 28 1.669 9.166 -0.458 1.00 0.00 C ATOM 424 CG LYS A 28 1.617 10.632 -0.062 1.00 0.00 C ATOM 425 CD LYS A 28 0.375 11.314 -0.612 1.00 0.00 C ATOM 426 CE LYS A 28 0.444 11.465 -2.122 1.00 0.00 C ATOM 427 NZ LYS A 28 1.655 12.216 -2.552 1.00 0.00 N ATOM 0 H LYS A 28 1.919 6.707 -0.624 1.00 0.00 H new ATOM 0 HA LYS A 28 1.824 8.347 1.530 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.691 8.910 -0.736 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.050 9.015 -1.343 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.629 10.717 1.025 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.507 11.142 -0.431 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.508 10.735 -0.343 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.264 12.296 -0.152 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.446 10.478 -2.585 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.448 11.982 -2.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.522 12.561 -3.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.807 13.024 -1.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 2.483 11.588 -2.518 1.00 0.00 H new ATOM 441 N LEU A 29 -1.146 8.424 0.071 1.00 0.00 N ATOM 442 CA LEU A 29 -2.555 8.717 0.305 1.00 0.00 C ATOM 443 C LEU A 29 -3.112 7.918 1.482 1.00 0.00 C ATOM 444 O LEU A 29 -3.887 8.443 2.282 1.00 0.00 O ATOM 445 CB LEU A 29 -3.373 8.440 -0.958 1.00 0.00 C ATOM 446 CG LEU A 29 -3.727 9.684 -1.777 1.00 0.00 C ATOM 447 CD1 LEU A 29 -3.800 9.354 -3.260 1.00 0.00 C ATOM 448 CD2 LEU A 29 -5.042 10.280 -1.296 1.00 0.00 C ATOM 0 H LEU A 29 -0.930 8.128 -0.881 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.633 9.775 0.557 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.815 7.751 -1.592 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.296 7.935 -0.673 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.938 10.423 -1.633 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.053 10.254 -3.821 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.835 8.976 -3.597 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.565 8.595 -3.427 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.279 11.164 -1.888 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.838 9.544 -1.408 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.952 10.560 -0.247 1.00 0.00 H new ATOM 460 N GLU A 30 -2.724 6.650 1.588 1.00 0.00 N ATOM 461 CA GLU A 30 -3.204 5.799 2.675 1.00 0.00 C ATOM 462 C GLU A 30 -2.629 6.229 4.021 1.00 0.00 C ATOM 463 O GLU A 30 -3.116 5.810 5.071 1.00 0.00 O ATOM 464 CB GLU A 30 -2.847 4.338 2.416 1.00 0.00 C ATOM 465 CG GLU A 30 -3.989 3.527 1.830 1.00 0.00 C ATOM 466 CD GLU A 30 -5.070 3.227 2.851 1.00 0.00 C ATOM 467 OE1 GLU A 30 -4.744 2.645 3.907 1.00 0.00 O ATOM 468 OE2 GLU A 30 -6.242 3.578 2.597 1.00 0.00 O ATOM 0 H GLU A 30 -2.084 6.191 0.940 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.288 5.907 2.711 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.996 4.296 1.736 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.530 3.879 3.352 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.425 4.072 0.993 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.599 2.590 1.432 1.00 0.00 H new ATOM 475 N GLY A 31 -1.595 7.062 3.993 1.00 0.00 N ATOM 476 CA GLY A 31 -0.990 7.518 5.229 1.00 0.00 C ATOM 477 C GLY A 31 0.245 6.723 5.611 1.00 0.00 C ATOM 478 O GLY A 31 0.651 6.724 6.773 1.00 0.00 O ATOM 0 H GLY A 31 -1.167 7.427 3.142 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.722 8.570 5.130 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.723 7.450 6.033 1.00 0.00 H new ATOM 482 N TRP A 32 0.854 6.052 4.635 1.00 0.00 N ATOM 483 CA TRP A 32 2.056 5.270 4.896 1.00 0.00 C ATOM 484 C TRP A 32 3.251 6.202 5.055 1.00 0.00 C ATOM 485 O TRP A 32 3.820 6.321 6.139 1.00 0.00 O ATOM 486 CB TRP A 32 2.320 4.269 3.763 1.00 0.00 C ATOM 487 CG TRP A 32 1.219 3.267 3.576 1.00 0.00 C ATOM 488 CD1 TRP A 32 -0.123 3.522 3.573 1.00 0.00 C ATOM 489 CD2 TRP A 32 1.356 1.850 3.360 1.00 0.00 C ATOM 490 NE1 TRP A 32 -0.823 2.362 3.371 1.00 0.00 N ATOM 491 CE2 TRP A 32 0.056 1.327 3.239 1.00 0.00 C ATOM 492 CE3 TRP A 32 2.442 0.967 3.257 1.00 0.00 C ATOM 493 CZ2 TRP A 32 -0.190 -0.020 3.021 1.00 0.00 C ATOM 494 CZ3 TRP A 32 2.186 -0.376 3.038 1.00 0.00 C ATOM 495 CH2 TRP A 32 0.878 -0.854 2.924 1.00 0.00 C ATOM 0 H TRP A 32 0.537 6.035 3.666 1.00 0.00 H new ATOM 0 HA TRP A 32 1.907 4.708 5.818 1.00 0.00 H new ATOM 0 HB2 TRP A 32 2.463 4.817 2.832 1.00 0.00 H new ATOM 0 HB3 TRP A 32 3.251 3.739 3.967 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -0.568 4.497 3.710 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -1.839 2.284 3.326 1.00 0.00 H new ATOM 0 HE3 TRP A 32 3.456 1.327 3.347 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -1.199 -0.394 2.931 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 3.012 -1.066 2.954 1.00 0.00 H new ATOM 0 HH2 TRP A 32 0.713 -1.908 2.755 1.00 0.00 H new ATOM 506 N SER A 33 3.616 6.870 3.965 1.00 0.00 N ATOM 507 CA SER A 33 4.730 7.806 3.980 1.00 0.00 C ATOM 508 C SER A 33 4.224 9.243 3.918 1.00 0.00 C ATOM 509 O SER A 33 3.316 9.555 3.147 1.00 0.00 O ATOM 510 CB SER A 33 5.663 7.532 2.802 1.00 0.00 C ATOM 511 OG SER A 33 6.661 8.532 2.706 1.00 0.00 O ATOM 0 H SER A 33 3.154 6.779 3.060 1.00 0.00 H new ATOM 0 HA SER A 33 5.281 7.670 4.911 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.131 6.555 2.923 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.087 7.497 1.877 1.00 0.00 H new ATOM 0 HG SER A 33 6.857 8.885 3.599 1.00 0.00 H new ATOM 517 N GLU A 34 4.814 10.118 4.725 1.00 0.00 N ATOM 518 CA GLU A 34 4.409 11.520 4.740 1.00 0.00 C ATOM 519 C GLU A 34 4.848 12.211 3.454 1.00 0.00 C ATOM 520 O GLU A 34 4.161 13.095 2.942 1.00 0.00 O ATOM 521 CB GLU A 34 5.016 12.234 5.949 1.00 0.00 C ATOM 522 CG GLU A 34 4.414 13.605 6.212 1.00 0.00 C ATOM 523 CD GLU A 34 5.440 14.610 6.693 1.00 0.00 C ATOM 524 OE1 GLU A 34 6.122 15.217 5.840 1.00 0.00 O ATOM 525 OE2 GLU A 34 5.564 14.790 7.923 1.00 0.00 O ATOM 0 H GLU A 34 5.567 9.885 5.372 1.00 0.00 H new ATOM 0 HA GLU A 34 3.322 11.566 4.812 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.881 11.611 6.833 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.090 12.341 5.796 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.949 13.975 5.298 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.624 13.514 6.957 1.00 0.00 H new ATOM 532 N SER A 35 5.993 11.785 2.932 1.00 0.00 N ATOM 533 CA SER A 35 6.532 12.339 1.696 1.00 0.00 C ATOM 534 C SER A 35 6.349 11.352 0.550 1.00 0.00 C ATOM 535 O SER A 35 5.761 11.677 -0.483 1.00 0.00 O ATOM 536 CB SER A 35 8.014 12.674 1.870 1.00 0.00 C ATOM 537 OG SER A 35 8.553 12.008 2.998 1.00 0.00 O ATOM 0 H SER A 35 6.569 11.053 3.349 1.00 0.00 H new ATOM 0 HA SER A 35 5.990 13.254 1.459 1.00 0.00 H new ATOM 0 HB2 SER A 35 8.564 12.385 0.975 1.00 0.00 H new ATOM 0 HB3 SER A 35 8.137 13.751 1.985 1.00 0.00 H new ATOM 0 HG SER A 35 8.881 12.669 3.642 1.00 0.00 H new ATOM 543 N GLY A 36 6.860 10.143 0.749 1.00 0.00 N ATOM 544 CA GLY A 36 6.756 9.110 -0.261 1.00 0.00 C ATOM 545 C GLY A 36 8.103 8.508 -0.609 1.00 0.00 C ATOM 546 O GLY A 36 8.198 7.320 -0.914 1.00 0.00 O ATOM 0 H GLY A 36 7.348 9.859 1.599 1.00 0.00 H new ATOM 0 HA2 GLY A 36 6.090 8.324 0.094 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.304 9.528 -1.160 1.00 0.00 H new ATOM 550 N ALA A 37 9.149 9.329 -0.561 1.00 0.00 N ATOM 551 CA ALA A 37 10.501 8.870 -0.873 1.00 0.00 C ATOM 552 C ALA A 37 11.469 9.122 0.286 1.00 0.00 C ATOM 553 O ALA A 37 12.628 8.711 0.233 1.00 0.00 O ATOM 554 CB ALA A 37 11.006 9.548 -2.135 1.00 0.00 C ATOM 0 H ALA A 37 9.087 10.315 -0.309 1.00 0.00 H new ATOM 0 HA ALA A 37 10.455 7.793 -1.036 1.00 0.00 H new ATOM 0 HB1 ALA A 37 12.014 9.198 -2.357 1.00 0.00 H new ATOM 0 HB2 ALA A 37 10.346 9.305 -2.968 1.00 0.00 H new ATOM 0 HB3 ALA A 37 11.021 10.628 -1.987 1.00 0.00 H new ATOM 560 N GLN A 38 10.992 9.802 1.328 1.00 0.00 N ATOM 561 CA GLN A 38 11.823 10.109 2.491 1.00 0.00 C ATOM 562 C GLN A 38 12.483 8.846 3.042 1.00 0.00 C ATOM 563 O GLN A 38 13.674 8.613 2.832 1.00 0.00 O ATOM 564 CB GLN A 38 10.975 10.781 3.575 1.00 0.00 C ATOM 565 CG GLN A 38 11.730 11.070 4.863 1.00 0.00 C ATOM 566 CD GLN A 38 12.319 12.465 4.886 1.00 0.00 C ATOM 567 OE1 GLN A 38 13.511 12.653 4.642 1.00 0.00 O ATOM 568 NE2 GLN A 38 11.484 13.455 5.181 1.00 0.00 N ATOM 0 H GLN A 38 10.035 10.150 1.390 1.00 0.00 H new ATOM 0 HA GLN A 38 12.612 10.793 2.179 1.00 0.00 H new ATOM 0 HB2 GLN A 38 10.577 11.717 3.182 1.00 0.00 H new ATOM 0 HB3 GLN A 38 10.122 10.142 3.802 1.00 0.00 H new ATOM 0 HG2 GLN A 38 11.056 10.949 5.711 1.00 0.00 H new ATOM 0 HG3 GLN A 38 12.529 10.339 4.984 1.00 0.00 H new ATOM 0 HE21 GLN A 38 10.503 13.254 5.377 1.00 0.00 H new ATOM 0 HE22 GLN A 38 11.823 14.416 5.212 1.00 0.00 H new ATOM 577 N ALA A 39 11.702 8.035 3.749 1.00 0.00 N ATOM 578 CA ALA A 39 12.201 6.795 4.337 1.00 0.00 C ATOM 579 C ALA A 39 12.348 5.684 3.299 1.00 0.00 C ATOM 580 O ALA A 39 12.455 4.511 3.657 1.00 0.00 O ATOM 581 CB ALA A 39 11.272 6.335 5.449 1.00 0.00 C ATOM 0 H ALA A 39 10.715 8.216 3.930 1.00 0.00 H new ATOM 0 HA ALA A 39 13.191 7.004 4.742 1.00 0.00 H new ATOM 0 HB1 ALA A 39 11.652 5.410 5.881 1.00 0.00 H new ATOM 0 HB2 ALA A 39 11.221 7.102 6.221 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.275 6.163 5.043 1.00 0.00 H new ATOM 587 N LYS A 40 12.333 6.044 2.016 1.00 0.00 N ATOM 588 CA LYS A 40 12.445 5.057 0.946 1.00 0.00 C ATOM 589 C LYS A 40 11.191 4.192 0.898 1.00 0.00 C ATOM 590 O LYS A 40 11.219 3.060 0.419 1.00 0.00 O ATOM 591 CB LYS A 40 13.685 4.176 1.142 1.00 0.00 C ATOM 592 CG LYS A 40 14.882 4.611 0.311 1.00 0.00 C ATOM 593 CD LYS A 40 15.152 3.642 -0.828 1.00 0.00 C ATOM 594 CE LYS A 40 16.003 4.282 -1.913 1.00 0.00 C ATOM 595 NZ LYS A 40 16.363 3.311 -2.983 1.00 0.00 N ATOM 0 H LYS A 40 12.245 7.008 1.695 1.00 0.00 H new ATOM 0 HA LYS A 40 12.549 5.589 0.000 1.00 0.00 H new ATOM 0 HB2 LYS A 40 13.963 4.185 2.196 1.00 0.00 H new ATOM 0 HB3 LYS A 40 13.432 3.147 0.888 1.00 0.00 H new ATOM 0 HG2 LYS A 40 14.703 5.608 -0.093 1.00 0.00 H new ATOM 0 HG3 LYS A 40 15.763 4.679 0.949 1.00 0.00 H new ATOM 0 HD2 LYS A 40 15.658 2.757 -0.442 1.00 0.00 H new ATOM 0 HD3 LYS A 40 14.206 3.308 -1.255 1.00 0.00 H new ATOM 0 HE2 LYS A 40 15.462 5.121 -2.351 1.00 0.00 H new ATOM 0 HE3 LYS A 40 16.913 4.687 -1.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 17.396 3.200 -3.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 15.923 2.391 -2.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 16.022 3.663 -3.900 1.00 0.00 H new ATOM 609 N ILE A 41 10.092 4.741 1.405 1.00 0.00 N ATOM 610 CA ILE A 41 8.817 4.039 1.437 1.00 0.00 C ATOM 611 C ILE A 41 8.376 3.621 0.040 1.00 0.00 C ATOM 612 O ILE A 41 7.611 2.670 -0.119 1.00 0.00 O ATOM 613 CB ILE A 41 7.724 4.922 2.070 1.00 0.00 C ATOM 614 CG1 ILE A 41 8.126 5.324 3.489 1.00 0.00 C ATOM 615 CG2 ILE A 41 6.378 4.213 2.071 1.00 0.00 C ATOM 616 CD1 ILE A 41 8.664 6.733 3.573 1.00 0.00 C ATOM 0 H ILE A 41 10.061 5.680 1.803 1.00 0.00 H new ATOM 0 HA ILE A 41 8.958 3.144 2.043 1.00 0.00 H new ATOM 0 HB ILE A 41 7.622 5.825 1.467 1.00 0.00 H new ATOM 0 HG12 ILE A 41 7.261 5.231 4.146 1.00 0.00 H new ATOM 0 HG13 ILE A 41 8.881 4.630 3.857 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.626 4.860 2.524 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.088 3.981 1.046 1.00 0.00 H new ATOM 0 HG23 ILE A 41 6.454 3.289 2.644 1.00 0.00 H new ATOM 0 HD11 ILE A 41 8.932 6.959 4.605 1.00 0.00 H new ATOM 0 HD12 ILE A 41 9.547 6.824 2.941 1.00 0.00 H new ATOM 0 HD13 ILE A 41 7.902 7.434 3.234 1.00 0.00 H new ATOM 628 N ALA A 42 8.857 4.336 -0.965 1.00 0.00 N ATOM 629 CA ALA A 42 8.498 4.030 -2.344 1.00 0.00 C ATOM 630 C ALA A 42 9.244 2.796 -2.850 1.00 0.00 C ATOM 631 O ALA A 42 8.678 1.700 -2.922 1.00 0.00 O ATOM 632 CB ALA A 42 8.760 5.228 -3.247 1.00 0.00 C ATOM 0 H ALA A 42 9.492 5.127 -0.855 1.00 0.00 H new ATOM 0 HA ALA A 42 7.431 3.807 -2.370 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.485 4.978 -4.272 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.165 6.076 -2.908 1.00 0.00 H new ATOM 0 HB3 ALA A 42 9.818 5.488 -3.208 1.00 0.00 H new ATOM 638 N ILE A 43 10.520 2.974 -3.191 1.00 0.00 N ATOM 639 CA ILE A 43 11.338 1.870 -3.682 1.00 0.00 C ATOM 640 C ILE A 43 11.210 0.657 -2.766 1.00 0.00 C ATOM 641 O ILE A 43 11.088 -0.478 -3.229 1.00 0.00 O ATOM 642 CB ILE A 43 12.823 2.272 -3.795 1.00 0.00 C ATOM 643 CG1 ILE A 43 12.978 3.507 -4.685 1.00 0.00 C ATOM 644 CG2 ILE A 43 13.650 1.118 -4.343 1.00 0.00 C ATOM 645 CD1 ILE A 43 12.472 3.302 -6.097 1.00 0.00 C ATOM 0 H ILE A 43 11.006 3.869 -3.136 1.00 0.00 H new ATOM 0 HA ILE A 43 10.972 1.614 -4.676 1.00 0.00 H new ATOM 0 HB ILE A 43 13.188 2.515 -2.797 1.00 0.00 H new ATOM 0 HG12 ILE A 43 12.441 4.341 -4.233 1.00 0.00 H new ATOM 0 HG13 ILE A 43 14.030 3.788 -4.722 1.00 0.00 H new ATOM 0 HG21 ILE A 43 14.695 1.421 -4.415 1.00 0.00 H new ATOM 0 HG22 ILE A 43 13.566 0.261 -3.675 1.00 0.00 H new ATOM 0 HG23 ILE A 43 13.282 0.844 -5.332 1.00 0.00 H new ATOM 0 HD11 ILE A 43 12.613 4.218 -6.671 1.00 0.00 H new ATOM 0 HD12 ILE A 43 13.026 2.490 -6.568 1.00 0.00 H new ATOM 0 HD13 ILE A 43 11.412 3.051 -6.071 1.00 0.00 H new ATOM 657 N ALA A 44 11.223 0.910 -1.459 1.00 0.00 N ATOM 658 CA ALA A 44 11.092 -0.157 -0.479 1.00 0.00 C ATOM 659 C ALA A 44 9.796 -0.925 -0.699 1.00 0.00 C ATOM 660 O ALA A 44 9.821 -2.084 -1.113 1.00 0.00 O ATOM 661 CB ALA A 44 11.148 0.404 0.932 1.00 0.00 C ATOM 0 H ALA A 44 11.323 1.843 -1.059 1.00 0.00 H new ATOM 0 HA ALA A 44 11.927 -0.846 -0.606 1.00 0.00 H new ATOM 0 HB1 ALA A 44 11.048 -0.409 1.651 1.00 0.00 H new ATOM 0 HB2 ALA A 44 12.102 0.909 1.085 1.00 0.00 H new ATOM 0 HB3 ALA A 44 10.334 1.115 1.073 1.00 0.00 H new ATOM 667 N GLU A 45 8.661 -0.268 -0.424 1.00 0.00 N ATOM 668 CA GLU A 45 7.341 -0.886 -0.598 1.00 0.00 C ATOM 669 C GLU A 45 7.373 -1.914 -1.718 1.00 0.00 C ATOM 670 O GLU A 45 6.860 -3.024 -1.575 1.00 0.00 O ATOM 671 CB GLU A 45 6.287 0.179 -0.901 1.00 0.00 C ATOM 672 CG GLU A 45 4.943 -0.393 -1.336 1.00 0.00 C ATOM 673 CD GLU A 45 4.234 -1.136 -0.221 1.00 0.00 C ATOM 674 OE1 GLU A 45 3.654 -0.471 0.663 1.00 0.00 O ATOM 675 OE2 GLU A 45 4.259 -2.384 -0.233 1.00 0.00 O ATOM 0 H GLU A 45 8.631 0.692 -0.080 1.00 0.00 H new ATOM 0 HA GLU A 45 7.078 -1.389 0.332 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.140 0.794 -0.013 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.663 0.836 -1.685 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.305 0.417 -1.690 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.096 -1.069 -2.177 1.00 0.00 H new ATOM 682 N GLY A 46 8.012 -1.544 -2.820 1.00 0.00 N ATOM 683 CA GLY A 46 8.134 -2.462 -3.931 1.00 0.00 C ATOM 684 C GLY A 46 8.863 -3.720 -3.506 1.00 0.00 C ATOM 685 O GLY A 46 8.249 -4.772 -3.325 1.00 0.00 O ATOM 0 H GLY A 46 8.444 -0.631 -2.962 1.00 0.00 H new ATOM 0 HA2 GLY A 46 7.144 -2.719 -4.308 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.672 -1.982 -4.749 1.00 0.00 H new ATOM 689 N GLN A 47 10.179 -3.605 -3.344 1.00 0.00 N ATOM 690 CA GLN A 47 11.018 -4.736 -2.938 1.00 0.00 C ATOM 691 C GLN A 47 10.451 -5.485 -1.725 1.00 0.00 C ATOM 692 O GLN A 47 10.909 -6.585 -1.411 1.00 0.00 O ATOM 693 CB GLN A 47 12.441 -4.262 -2.632 1.00 0.00 C ATOM 694 CG GLN A 47 12.498 -2.980 -1.820 1.00 0.00 C ATOM 695 CD GLN A 47 13.850 -2.765 -1.166 1.00 0.00 C ATOM 696 OE1 GLN A 47 14.496 -1.738 -1.373 1.00 0.00 O ATOM 697 NE2 GLN A 47 14.285 -3.737 -0.373 1.00 0.00 N ATOM 0 H GLN A 47 10.692 -2.735 -3.488 1.00 0.00 H new ATOM 0 HA GLN A 47 11.033 -5.433 -3.776 1.00 0.00 H new ATOM 0 HB2 GLN A 47 12.967 -5.048 -2.090 1.00 0.00 H new ATOM 0 HB3 GLN A 47 12.973 -4.110 -3.571 1.00 0.00 H new ATOM 0 HG2 GLN A 47 12.273 -2.133 -2.468 1.00 0.00 H new ATOM 0 HG3 GLN A 47 11.726 -3.007 -1.051 1.00 0.00 H new ATOM 0 HE21 GLN A 47 13.716 -4.571 -0.230 1.00 0.00 H new ATOM 0 HE22 GLN A 47 15.188 -3.649 0.093 1.00 0.00 H new ATOM 706 N VAL A 48 9.468 -4.900 -1.041 1.00 0.00 N ATOM 707 CA VAL A 48 8.884 -5.551 0.126 1.00 0.00 C ATOM 708 C VAL A 48 7.958 -6.703 -0.294 1.00 0.00 C ATOM 709 O VAL A 48 8.441 -7.799 -0.570 1.00 0.00 O ATOM 710 CB VAL A 48 8.125 -4.559 1.027 1.00 0.00 C ATOM 711 CG1 VAL A 48 7.601 -5.275 2.265 1.00 0.00 C ATOM 712 CG2 VAL A 48 9.028 -3.400 1.413 1.00 0.00 C ATOM 0 H VAL A 48 9.066 -3.991 -1.271 1.00 0.00 H new ATOM 0 HA VAL A 48 9.712 -5.957 0.708 1.00 0.00 H new ATOM 0 HB VAL A 48 7.275 -4.157 0.476 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.066 -4.566 2.896 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.925 -6.075 1.964 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.437 -5.697 2.822 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.478 -2.707 2.050 1.00 0.00 H new ATOM 0 HG22 VAL A 48 9.896 -3.779 1.953 1.00 0.00 H new ATOM 0 HG23 VAL A 48 9.359 -2.881 0.513 1.00 0.00 H new ATOM 722 N LYS A 49 6.639 -6.473 -0.346 1.00 0.00 N ATOM 723 CA LYS A 49 5.713 -7.536 -0.736 1.00 0.00 C ATOM 724 C LYS A 49 4.324 -6.991 -1.062 1.00 0.00 C ATOM 725 O LYS A 49 3.685 -6.360 -0.220 1.00 0.00 O ATOM 726 CB LYS A 49 5.599 -8.569 0.393 1.00 0.00 C ATOM 727 CG LYS A 49 6.342 -9.867 0.121 1.00 0.00 C ATOM 728 CD LYS A 49 5.624 -10.714 -0.916 1.00 0.00 C ATOM 729 CE LYS A 49 4.412 -11.416 -0.326 1.00 0.00 C ATOM 730 NZ LYS A 49 3.160 -10.634 -0.529 1.00 0.00 N ATOM 0 H LYS A 49 6.199 -5.579 -0.127 1.00 0.00 H new ATOM 0 HA LYS A 49 6.113 -8.004 -1.636 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.982 -8.129 1.314 1.00 0.00 H new ATOM 0 HB3 LYS A 49 4.546 -8.794 0.561 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.351 -9.644 -0.226 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.441 -10.432 1.048 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.310 -10.083 -1.748 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.313 -11.455 -1.321 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.304 -12.399 -0.784 1.00 0.00 H new ATOM 0 HE3 LYS A 49 4.570 -11.577 0.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 2.889 -10.174 0.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.318 -9.909 -1.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.398 -11.272 -0.835 1.00 0.00 H new ATOM 744 N VAL A 50 3.849 -7.260 -2.279 1.00 0.00 N ATOM 745 CA VAL A 50 2.524 -6.819 -2.692 1.00 0.00 C ATOM 746 C VAL A 50 1.646 -8.030 -2.994 1.00 0.00 C ATOM 747 O VAL A 50 2.155 -9.092 -3.350 1.00 0.00 O ATOM 748 CB VAL A 50 2.588 -5.909 -3.934 1.00 0.00 C ATOM 749 CG1 VAL A 50 1.215 -5.342 -4.258 1.00 0.00 C ATOM 750 CG2 VAL A 50 3.600 -4.789 -3.731 1.00 0.00 C ATOM 0 H VAL A 50 4.363 -7.779 -2.991 1.00 0.00 H new ATOM 0 HA VAL A 50 2.096 -6.243 -1.872 1.00 0.00 H new ATOM 0 HB VAL A 50 2.915 -6.513 -4.781 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.284 -4.703 -5.138 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.521 -6.159 -4.456 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.854 -4.757 -3.412 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.629 -4.159 -4.620 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.309 -4.188 -2.869 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.587 -5.218 -3.558 1.00 0.00 H new ATOM 760 N ASP A 51 0.333 -7.882 -2.830 1.00 0.00 N ATOM 761 CA ASP A 51 -0.598 -8.985 -3.071 1.00 0.00 C ATOM 762 C ASP A 51 -0.268 -9.722 -4.364 1.00 0.00 C ATOM 763 O ASP A 51 -0.593 -9.258 -5.457 1.00 0.00 O ATOM 764 CB ASP A 51 -2.031 -8.465 -3.134 1.00 0.00 C ATOM 765 CG ASP A 51 -3.013 -9.379 -2.425 1.00 0.00 C ATOM 766 OD1 ASP A 51 -2.658 -10.548 -2.167 1.00 0.00 O ATOM 767 OD2 ASP A 51 -4.138 -8.923 -2.129 1.00 0.00 O ATOM 0 H ASP A 51 -0.110 -7.013 -2.532 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.499 -9.685 -2.241 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.074 -7.473 -2.685 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.329 -8.356 -4.177 1.00 0.00 H new ATOM 772 N GLY A 52 0.382 -10.871 -4.226 1.00 0.00 N ATOM 773 CA GLY A 52 0.752 -11.659 -5.385 1.00 0.00 C ATOM 774 C GLY A 52 1.715 -10.927 -6.298 1.00 0.00 C ATOM 775 O GLY A 52 1.821 -11.247 -7.481 1.00 0.00 O ATOM 0 H GLY A 52 0.660 -11.271 -3.330 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.207 -12.593 -5.056 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.146 -11.922 -5.944 1.00 0.00 H new ATOM 779 N ALA A 53 2.420 -9.940 -5.750 1.00 0.00 N ATOM 780 CA ALA A 53 3.373 -9.166 -6.530 1.00 0.00 C ATOM 781 C ALA A 53 4.578 -8.744 -5.691 1.00 0.00 C ATOM 782 O ALA A 53 4.693 -7.588 -5.281 1.00 0.00 O ATOM 783 CB ALA A 53 2.693 -7.948 -7.140 1.00 0.00 C ATOM 0 H ALA A 53 2.347 -9.661 -4.772 1.00 0.00 H new ATOM 0 HA ALA A 53 3.740 -9.804 -7.333 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.419 -7.379 -7.721 1.00 0.00 H new ATOM 0 HB2 ALA A 53 1.881 -8.272 -7.791 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.291 -7.320 -6.345 1.00 0.00 H new ATOM 789 N VAL A 54 5.473 -9.688 -5.427 1.00 0.00 N ATOM 790 CA VAL A 54 6.664 -9.407 -4.638 1.00 0.00 C ATOM 791 C VAL A 54 7.793 -8.895 -5.536 1.00 0.00 C ATOM 792 O VAL A 54 8.804 -9.569 -5.728 1.00 0.00 O ATOM 793 CB VAL A 54 7.139 -10.664 -3.882 1.00 0.00 C ATOM 794 CG1 VAL A 54 7.497 -11.779 -4.855 1.00 0.00 C ATOM 795 CG2 VAL A 54 8.315 -10.332 -2.974 1.00 0.00 C ATOM 0 H VAL A 54 5.396 -10.653 -5.748 1.00 0.00 H new ATOM 0 HA VAL A 54 6.404 -8.638 -3.910 1.00 0.00 H new ATOM 0 HB VAL A 54 6.319 -11.017 -3.257 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.829 -12.655 -4.298 1.00 0.00 H new ATOM 0 HG12 VAL A 54 6.621 -12.038 -5.450 1.00 0.00 H new ATOM 0 HG13 VAL A 54 8.297 -11.443 -5.515 1.00 0.00 H new ATOM 0 HG21 VAL A 54 8.635 -11.232 -2.450 1.00 0.00 H new ATOM 0 HG22 VAL A 54 9.141 -9.948 -3.573 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.012 -9.577 -2.248 1.00 0.00 H new ATOM 805 N GLU A 55 7.604 -7.701 -6.092 1.00 0.00 N ATOM 806 CA GLU A 55 8.595 -7.101 -6.981 1.00 0.00 C ATOM 807 C GLU A 55 9.399 -6.021 -6.258 1.00 0.00 C ATOM 808 O GLU A 55 9.365 -5.934 -5.034 1.00 0.00 O ATOM 809 CB GLU A 55 7.898 -6.515 -8.210 1.00 0.00 C ATOM 810 CG GLU A 55 7.984 -7.409 -9.436 1.00 0.00 C ATOM 811 CD GLU A 55 8.886 -6.838 -10.513 1.00 0.00 C ATOM 812 OE1 GLU A 55 10.073 -6.583 -10.219 1.00 0.00 O ATOM 813 OE2 GLU A 55 8.406 -6.646 -11.650 1.00 0.00 O ATOM 0 H GLU A 55 6.773 -7.129 -5.942 1.00 0.00 H new ATOM 0 HA GLU A 55 9.291 -7.877 -7.299 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.849 -6.336 -7.973 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.342 -5.547 -8.443 1.00 0.00 H new ATOM 0 HG2 GLU A 55 8.354 -8.390 -9.140 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.984 -7.556 -9.845 1.00 0.00 H new ATOM 820 N THR A 56 10.132 -5.208 -7.020 1.00 0.00 N ATOM 821 CA THR A 56 10.944 -4.147 -6.429 1.00 0.00 C ATOM 822 C THR A 56 11.007 -2.907 -7.321 1.00 0.00 C ATOM 823 O THR A 56 12.048 -2.255 -7.415 1.00 0.00 O ATOM 824 CB THR A 56 12.359 -4.657 -6.146 1.00 0.00 C ATOM 825 OG1 THR A 56 13.198 -3.598 -5.721 1.00 0.00 O ATOM 826 CG2 THR A 56 13.012 -5.307 -7.346 1.00 0.00 C ATOM 0 H THR A 56 10.179 -5.264 -8.037 1.00 0.00 H new ATOM 0 HA THR A 56 10.466 -3.858 -5.493 1.00 0.00 H new ATOM 0 HB THR A 56 12.244 -5.408 -5.364 1.00 0.00 H new ATOM 0 HG1 THR A 56 13.290 -2.943 -6.444 1.00 0.00 H new ATOM 0 HG21 THR A 56 14.012 -5.646 -7.077 1.00 0.00 H new ATOM 0 HG22 THR A 56 12.414 -6.160 -7.668 1.00 0.00 H new ATOM 0 HG23 THR A 56 13.080 -4.584 -8.159 1.00 0.00 H new ATOM 834 N ARG A 57 9.895 -2.576 -7.969 1.00 0.00 N ATOM 835 CA ARG A 57 9.842 -1.406 -8.838 1.00 0.00 C ATOM 836 C ARG A 57 9.391 -0.169 -8.065 1.00 0.00 C ATOM 837 O ARG A 57 9.033 -0.255 -6.890 1.00 0.00 O ATOM 838 CB ARG A 57 8.899 -1.663 -10.015 1.00 0.00 C ATOM 839 CG ARG A 57 9.621 -1.789 -11.346 1.00 0.00 C ATOM 840 CD ARG A 57 8.857 -1.101 -12.466 1.00 0.00 C ATOM 841 NE ARG A 57 9.740 -0.328 -13.338 1.00 0.00 N ATOM 842 CZ ARG A 57 10.026 0.961 -13.156 1.00 0.00 C ATOM 843 NH1 ARG A 57 9.512 1.628 -12.130 1.00 0.00 N ATOM 844 NH2 ARG A 57 10.832 1.586 -14.004 1.00 0.00 N ATOM 0 H ARG A 57 9.021 -3.099 -7.909 1.00 0.00 H new ATOM 0 HA ARG A 57 10.846 -1.222 -9.220 1.00 0.00 H new ATOM 0 HB2 ARG A 57 8.335 -2.577 -9.827 1.00 0.00 H new ATOM 0 HB3 ARG A 57 8.176 -0.850 -10.077 1.00 0.00 H new ATOM 0 HG2 ARG A 57 10.617 -1.353 -11.263 1.00 0.00 H new ATOM 0 HG3 ARG A 57 9.754 -2.843 -11.590 1.00 0.00 H new ATOM 0 HD2 ARG A 57 8.328 -1.849 -13.057 1.00 0.00 H new ATOM 0 HD3 ARG A 57 8.102 -0.441 -12.038 1.00 0.00 H new ATOM 0 HE ARG A 57 10.163 -0.804 -14.135 1.00 0.00 H new ATOM 0 HH11 ARG A 57 8.892 1.154 -11.473 1.00 0.00 H new ATOM 0 HH12 ARG A 57 9.737 2.614 -11.999 1.00 0.00 H new ATOM 0 HH21 ARG A 57 11.232 1.080 -14.794 1.00 0.00 H new ATOM 0 HH22 ARG A 57 11.052 2.572 -13.866 1.00 0.00 H new ATOM 858 N LYS A 58 9.410 0.980 -8.735 1.00 0.00 N ATOM 859 CA LYS A 58 9.001 2.235 -8.114 1.00 0.00 C ATOM 860 C LYS A 58 7.480 2.342 -8.063 1.00 0.00 C ATOM 861 O LYS A 58 6.910 2.778 -7.063 1.00 0.00 O ATOM 862 CB LYS A 58 9.580 3.421 -8.888 1.00 0.00 C ATOM 863 CG LYS A 58 9.417 4.754 -8.174 1.00 0.00 C ATOM 864 CD LYS A 58 9.790 5.920 -9.078 1.00 0.00 C ATOM 865 CE LYS A 58 8.619 6.870 -9.277 1.00 0.00 C ATOM 866 NZ LYS A 58 8.925 7.929 -10.278 1.00 0.00 N ATOM 0 H LYS A 58 9.704 1.067 -9.708 1.00 0.00 H new ATOM 0 HA LYS A 58 9.385 2.252 -7.094 1.00 0.00 H new ATOM 0 HB2 LYS A 58 10.640 3.243 -9.069 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.095 3.479 -9.863 1.00 0.00 H new ATOM 0 HG2 LYS A 58 8.385 4.866 -7.841 1.00 0.00 H new ATOM 0 HG3 LYS A 58 10.043 4.769 -7.282 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.630 6.463 -8.645 1.00 0.00 H new ATOM 0 HD3 LYS A 58 10.120 5.541 -10.045 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.745 6.305 -9.602 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.363 7.334 -8.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 8.101 8.555 -10.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.743 8.485 -9.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 9.145 7.488 -11.194 1.00 0.00 H new ATOM 880 N ARG A 59 6.831 1.937 -9.149 1.00 0.00 N ATOM 881 CA ARG A 59 5.375 1.979 -9.237 1.00 0.00 C ATOM 882 C ARG A 59 4.818 0.602 -9.576 1.00 0.00 C ATOM 883 O ARG A 59 5.504 -0.218 -10.187 1.00 0.00 O ATOM 884 CB ARG A 59 4.937 2.985 -10.302 1.00 0.00 C ATOM 885 CG ARG A 59 5.653 4.323 -10.211 1.00 0.00 C ATOM 886 CD ARG A 59 6.561 4.554 -11.409 1.00 0.00 C ATOM 887 NE ARG A 59 6.538 5.946 -11.853 1.00 0.00 N ATOM 888 CZ ARG A 59 6.483 6.324 -13.129 1.00 0.00 C ATOM 889 NH1 ARG A 59 6.448 5.419 -14.102 1.00 0.00 N ATOM 890 NH2 ARG A 59 6.462 7.614 -13.437 1.00 0.00 N ATOM 0 H ARG A 59 7.292 1.575 -9.984 1.00 0.00 H new ATOM 0 HA ARG A 59 4.985 2.289 -8.268 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.112 2.556 -11.288 1.00 0.00 H new ATOM 0 HB3 ARG A 59 3.863 3.151 -10.213 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.919 5.126 -10.150 1.00 0.00 H new ATOM 0 HG3 ARG A 59 6.242 4.360 -9.295 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.582 4.273 -11.150 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.251 3.907 -12.229 1.00 0.00 H new ATOM 0 HE ARG A 59 6.566 6.675 -11.140 1.00 0.00 H new ATOM 0 HH11 ARG A 59 6.463 4.425 -13.875 1.00 0.00 H new ATOM 0 HH12 ARG A 59 6.406 5.719 -15.076 1.00 0.00 H new ATOM 0 HH21 ARG A 59 6.488 8.316 -12.697 1.00 0.00 H new ATOM 0 HH22 ARG A 59 6.420 7.904 -14.414 1.00 0.00 H new ATOM 904 N CYS A 60 3.571 0.353 -9.191 1.00 0.00 N ATOM 905 CA CYS A 60 2.938 -0.925 -9.476 1.00 0.00 C ATOM 906 C CYS A 60 1.509 -0.714 -9.954 1.00 0.00 C ATOM 907 O CYS A 60 0.660 -0.238 -9.201 1.00 0.00 O ATOM 908 CB CYS A 60 2.953 -1.817 -8.232 1.00 0.00 C ATOM 909 SG CYS A 60 3.770 -3.410 -8.481 1.00 0.00 S ATOM 0 H CYS A 60 2.984 1.015 -8.684 1.00 0.00 H new ATOM 0 HA CYS A 60 3.501 -1.420 -10.267 1.00 0.00 H new ATOM 0 HB2 CYS A 60 3.454 -1.286 -7.422 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.926 -1.993 -7.911 1.00 0.00 H new ATOM 0 HG CYS A 60 3.735 -4.093 -7.375 1.00 0.00 H new ATOM 915 N LYS A 61 1.242 -1.081 -11.200 1.00 0.00 N ATOM 916 CA LYS A 61 -0.093 -0.936 -11.760 1.00 0.00 C ATOM 917 C LYS A 61 -1.039 -1.921 -11.095 1.00 0.00 C ATOM 918 O LYS A 61 -1.067 -3.104 -11.438 1.00 0.00 O ATOM 919 CB LYS A 61 -0.067 -1.153 -13.274 1.00 0.00 C ATOM 920 CG LYS A 61 0.636 -0.037 -14.028 1.00 0.00 C ATOM 921 CD LYS A 61 0.260 -0.030 -15.500 1.00 0.00 C ATOM 922 CE LYS A 61 1.433 0.395 -16.369 1.00 0.00 C ATOM 923 NZ LYS A 61 0.989 1.149 -17.574 1.00 0.00 N ATOM 0 H LYS A 61 1.930 -1.480 -11.839 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.448 0.077 -11.570 1.00 0.00 H new ATOM 0 HB2 LYS A 61 0.431 -2.098 -13.490 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.090 -1.241 -13.639 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.377 0.923 -13.582 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.715 -0.154 -13.929 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.073 -1.024 -15.797 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.578 0.648 -15.660 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.112 1.014 -15.784 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.993 -0.487 -16.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.819 1.420 -18.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.361 0.550 -18.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.477 2.005 -17.279 1.00 0.00 H new ATOM 937 N ILE A 62 -1.800 -1.431 -10.125 1.00 0.00 N ATOM 938 CA ILE A 62 -2.729 -2.274 -9.394 1.00 0.00 C ATOM 939 C ILE A 62 -4.094 -1.620 -9.262 1.00 0.00 C ATOM 940 O ILE A 62 -4.207 -0.404 -9.100 1.00 0.00 O ATOM 941 CB ILE A 62 -2.196 -2.598 -7.987 1.00 0.00 C ATOM 942 CG1 ILE A 62 -0.737 -3.054 -8.066 1.00 0.00 C ATOM 943 CG2 ILE A 62 -3.062 -3.661 -7.321 1.00 0.00 C ATOM 944 CD1 ILE A 62 -0.149 -3.448 -6.729 1.00 0.00 C ATOM 0 H ILE A 62 -1.790 -0.455 -9.829 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.830 -3.196 -9.967 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.241 -1.695 -7.378 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.667 -3.902 -8.748 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.137 -2.251 -8.494 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.671 -3.878 -6.327 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.086 -3.296 -7.237 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.049 -4.570 -7.923 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.887 -3.760 -6.865 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.186 -2.596 -6.050 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.724 -4.273 -6.308 1.00 0.00 H new ATOM 956 N VAL A 63 -5.127 -2.446 -9.324 1.00 0.00 N ATOM 957 CA VAL A 63 -6.497 -1.979 -9.206 1.00 0.00 C ATOM 958 C VAL A 63 -7.363 -3.066 -8.573 1.00 0.00 C ATOM 959 O VAL A 63 -6.897 -4.182 -8.346 1.00 0.00 O ATOM 960 CB VAL A 63 -7.093 -1.619 -10.579 1.00 0.00 C ATOM 961 CG1 VAL A 63 -6.504 -0.320 -11.101 1.00 0.00 C ATOM 962 CG2 VAL A 63 -6.871 -2.753 -11.571 1.00 0.00 C ATOM 0 H VAL A 63 -5.039 -3.453 -9.457 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.485 -1.086 -8.582 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.167 -1.475 -10.459 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.941 -0.087 -12.072 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -6.724 0.486 -10.401 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -5.424 -0.426 -11.205 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.299 -2.481 -12.536 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.802 -2.932 -11.685 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -7.353 -3.658 -11.202 1.00 0.00 H new ATOM 972 N ALA A 64 -8.626 -2.750 -8.311 1.00 0.00 N ATOM 973 CA ALA A 64 -9.552 -3.722 -7.729 1.00 0.00 C ATOM 974 C ALA A 64 -9.245 -3.999 -6.253 1.00 0.00 C ATOM 975 O ALA A 64 -8.759 -3.124 -5.536 1.00 0.00 O ATOM 976 CB ALA A 64 -9.528 -5.012 -8.543 1.00 0.00 C ATOM 0 H ALA A 64 -9.034 -1.833 -8.491 1.00 0.00 H new ATOM 0 HA ALA A 64 -10.554 -3.295 -7.766 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.219 -5.732 -8.105 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.827 -4.800 -9.569 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.520 -5.427 -8.537 1.00 0.00 H new ATOM 982 N GLY A 65 -9.547 -5.220 -5.805 1.00 0.00 N ATOM 983 CA GLY A 65 -9.320 -5.596 -4.425 1.00 0.00 C ATOM 984 C GLY A 65 -7.967 -6.239 -4.203 1.00 0.00 C ATOM 985 O GLY A 65 -7.854 -7.463 -4.151 1.00 0.00 O ATOM 0 H GLY A 65 -9.948 -5.958 -6.384 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.404 -4.711 -3.794 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -10.101 -6.287 -4.109 1.00 0.00 H new ATOM 989 N GLN A 66 -6.938 -5.412 -4.081 1.00 0.00 N ATOM 990 CA GLN A 66 -5.581 -5.910 -3.870 1.00 0.00 C ATOM 991 C GLN A 66 -4.978 -5.355 -2.579 1.00 0.00 C ATOM 992 O GLN A 66 -5.414 -4.326 -2.062 1.00 0.00 O ATOM 993 CB GLN A 66 -4.688 -5.547 -5.057 1.00 0.00 C ATOM 994 CG GLN A 66 -5.245 -5.992 -6.400 1.00 0.00 C ATOM 995 CD GLN A 66 -4.458 -7.133 -7.016 1.00 0.00 C ATOM 996 OE1 GLN A 66 -5.034 -8.080 -7.552 1.00 0.00 O ATOM 997 NE2 GLN A 66 -3.133 -7.049 -6.948 1.00 0.00 N ATOM 0 H GLN A 66 -7.014 -4.396 -4.124 1.00 0.00 H new ATOM 0 HA GLN A 66 -5.638 -6.995 -3.782 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -4.543 -4.467 -5.074 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -3.706 -5.999 -4.913 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -6.283 -6.300 -6.273 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -5.245 -5.145 -7.086 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -2.695 -6.247 -6.495 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -2.554 -7.787 -7.349 1.00 0.00 H new ATOM 1006 N THR A 67 -3.985 -6.070 -2.057 1.00 0.00 N ATOM 1007 CA THR A 67 -3.315 -5.694 -0.813 1.00 0.00 C ATOM 1008 C THR A 67 -1.853 -5.303 -1.049 1.00 0.00 C ATOM 1009 O THR A 67 -1.205 -5.797 -1.970 1.00 0.00 O ATOM 1010 CB THR A 67 -3.379 -6.870 0.171 1.00 0.00 C ATOM 1011 OG1 THR A 67 -4.642 -7.514 0.110 1.00 0.00 O ATOM 1012 CG2 THR A 67 -3.139 -6.477 1.612 1.00 0.00 C ATOM 0 H THR A 67 -3.622 -6.924 -2.482 1.00 0.00 H new ATOM 0 HA THR A 67 -3.829 -4.825 -0.402 1.00 0.00 H new ATOM 0 HB THR A 67 -2.575 -7.537 -0.142 1.00 0.00 H new ATOM 0 HG1 THR A 67 -4.649 -8.150 -0.636 1.00 0.00 H new ATOM 0 HG21 THR A 67 -3.200 -7.362 2.246 1.00 0.00 H new ATOM 0 HG22 THR A 67 -2.149 -6.030 1.707 1.00 0.00 H new ATOM 0 HG23 THR A 67 -3.894 -5.755 1.923 1.00 0.00 H new ATOM 1020 N VAL A 68 -1.337 -4.418 -0.200 1.00 0.00 N ATOM 1021 CA VAL A 68 0.052 -3.972 -0.307 1.00 0.00 C ATOM 1022 C VAL A 68 0.758 -4.125 1.045 1.00 0.00 C ATOM 1023 O VAL A 68 0.137 -3.962 2.094 1.00 0.00 O ATOM 1024 CB VAL A 68 0.128 -2.508 -0.838 1.00 0.00 C ATOM 1025 CG1 VAL A 68 0.945 -1.581 0.060 1.00 0.00 C ATOM 1026 CG2 VAL A 68 0.688 -2.494 -2.253 1.00 0.00 C ATOM 0 H VAL A 68 -1.858 -3.995 0.569 1.00 0.00 H new ATOM 0 HA VAL A 68 0.570 -4.601 -1.031 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.892 -2.123 -0.836 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.957 -0.578 -0.367 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.496 -1.547 1.052 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.966 -1.955 0.137 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.737 -1.467 -2.615 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.688 -2.927 -2.253 1.00 0.00 H new ATOM 0 HG23 VAL A 68 0.040 -3.078 -2.906 1.00 0.00 H new ATOM 1036 N SER A 69 2.051 -4.464 1.019 1.00 0.00 N ATOM 1037 CA SER A 69 2.806 -4.661 2.258 1.00 0.00 C ATOM 1038 C SER A 69 4.193 -4.012 2.218 1.00 0.00 C ATOM 1039 O SER A 69 4.952 -4.196 1.261 1.00 0.00 O ATOM 1040 CB SER A 69 2.953 -6.156 2.548 1.00 0.00 C ATOM 1041 OG SER A 69 1.808 -6.873 2.121 1.00 0.00 O ATOM 0 H SER A 69 2.590 -4.606 0.165 1.00 0.00 H new ATOM 0 HA SER A 69 2.241 -4.174 3.052 1.00 0.00 H new ATOM 0 HB2 SER A 69 3.838 -6.543 2.042 1.00 0.00 H new ATOM 0 HB3 SER A 69 3.104 -6.309 3.616 1.00 0.00 H new ATOM 0 HG SER A 69 1.863 -7.033 1.156 1.00 0.00 H new ATOM 1047 N PHE A 70 4.522 -3.272 3.285 1.00 0.00 N ATOM 1048 CA PHE A 70 5.823 -2.609 3.404 1.00 0.00 C ATOM 1049 C PHE A 70 6.282 -2.546 4.864 1.00 0.00 C ATOM 1050 O PHE A 70 5.595 -1.989 5.716 1.00 0.00 O ATOM 1051 CB PHE A 70 5.774 -1.188 2.829 1.00 0.00 C ATOM 1052 CG PHE A 70 6.985 -0.357 3.170 1.00 0.00 C ATOM 1053 CD1 PHE A 70 8.224 -0.955 3.346 1.00 0.00 C ATOM 1054 CD2 PHE A 70 6.881 1.013 3.317 1.00 0.00 C ATOM 1055 CE1 PHE A 70 9.334 -0.204 3.663 1.00 0.00 C ATOM 1056 CE2 PHE A 70 7.991 1.773 3.635 1.00 0.00 C ATOM 1057 CZ PHE A 70 9.220 1.164 3.809 1.00 0.00 C ATOM 0 H PHE A 70 3.901 -3.118 4.080 1.00 0.00 H new ATOM 0 HA PHE A 70 6.537 -3.202 2.832 1.00 0.00 H new ATOM 0 HB2 PHE A 70 5.678 -1.247 1.745 1.00 0.00 H new ATOM 0 HB3 PHE A 70 4.882 -0.685 3.202 1.00 0.00 H new ATOM 0 HD1 PHE A 70 8.320 -2.025 3.233 1.00 0.00 H new ATOM 0 HD2 PHE A 70 5.924 1.494 3.182 1.00 0.00 H new ATOM 0 HE1 PHE A 70 10.292 -0.684 3.797 1.00 0.00 H new ATOM 0 HE2 PHE A 70 7.898 2.843 3.748 1.00 0.00 H new ATOM 0 HZ PHE A 70 10.088 1.757 4.058 1.00 0.00 H new ATOM 1067 N ALA A 71 7.466 -3.094 5.132 1.00 0.00 N ATOM 1068 CA ALA A 71 8.049 -3.084 6.474 1.00 0.00 C ATOM 1069 C ALA A 71 7.020 -3.376 7.565 1.00 0.00 C ATOM 1070 O ALA A 71 7.150 -2.893 8.690 1.00 0.00 O ATOM 1071 CB ALA A 71 8.726 -1.746 6.734 1.00 0.00 C ATOM 0 H ALA A 71 8.046 -3.555 4.431 1.00 0.00 H new ATOM 0 HA ALA A 71 8.787 -3.885 6.512 1.00 0.00 H new ATOM 0 HB1 ALA A 71 9.158 -1.745 7.735 1.00 0.00 H new ATOM 0 HB2 ALA A 71 9.515 -1.588 5.998 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.991 -0.945 6.655 1.00 0.00 H new ATOM 1077 N GLY A 72 6.007 -4.171 7.236 1.00 0.00 N ATOM 1078 CA GLY A 72 4.989 -4.511 8.217 1.00 0.00 C ATOM 1079 C GLY A 72 3.671 -3.804 7.986 1.00 0.00 C ATOM 1080 O GLY A 72 2.700 -4.047 8.702 1.00 0.00 O ATOM 0 H GLY A 72 5.872 -4.585 6.313 1.00 0.00 H new ATOM 0 HA2 GLY A 72 4.823 -5.588 8.199 1.00 0.00 H new ATOM 0 HA3 GLY A 72 5.357 -4.262 9.212 1.00 0.00 H new ATOM 1084 N HIS A 73 3.630 -2.921 6.997 1.00 0.00 N ATOM 1085 CA HIS A 73 2.414 -2.182 6.702 1.00 0.00 C ATOM 1086 C HIS A 73 1.560 -2.928 5.683 1.00 0.00 C ATOM 1087 O HIS A 73 1.812 -2.848 4.483 1.00 0.00 O ATOM 1088 CB HIS A 73 2.745 -0.789 6.160 1.00 0.00 C ATOM 1089 CG HIS A 73 3.896 -0.112 6.839 1.00 0.00 C ATOM 1090 ND1 HIS A 73 4.247 -0.348 8.150 1.00 0.00 N ATOM 1091 CD2 HIS A 73 4.778 0.807 6.375 1.00 0.00 C ATOM 1092 CE1 HIS A 73 5.293 0.395 8.466 1.00 0.00 C ATOM 1093 NE2 HIS A 73 5.635 1.104 7.406 1.00 0.00 N ATOM 0 H HIS A 73 4.420 -2.701 6.390 1.00 0.00 H new ATOM 0 HA HIS A 73 1.855 -2.082 7.632 1.00 0.00 H new ATOM 0 HB2 HIS A 73 2.965 -0.871 5.096 1.00 0.00 H new ATOM 0 HB3 HIS A 73 1.862 -0.157 6.255 1.00 0.00 H new ATOM 0 HD2 HIS A 73 4.802 1.227 5.380 1.00 0.00 H new ATOM 0 HE1 HIS A 73 5.784 0.418 9.427 1.00 0.00 H new ATOM 0 HE2 HIS A 73 6.410 1.765 7.360 1.00 0.00 H new ATOM 1101 N SER A 74 0.552 -3.653 6.159 1.00 0.00 N ATOM 1102 CA SER A 74 -0.326 -4.410 5.269 1.00 0.00 C ATOM 1103 C SER A 74 -1.718 -3.783 5.192 1.00 0.00 C ATOM 1104 O SER A 74 -2.457 -3.764 6.176 1.00 0.00 O ATOM 1105 CB SER A 74 -0.432 -5.862 5.740 1.00 0.00 C ATOM 1106 OG SER A 74 0.768 -6.287 6.361 1.00 0.00 O ATOM 0 H SER A 74 0.323 -3.733 7.150 1.00 0.00 H new ATOM 0 HA SER A 74 0.111 -4.386 4.271 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.262 -5.961 6.440 1.00 0.00 H new ATOM 0 HB3 SER A 74 -0.653 -6.508 4.890 1.00 0.00 H new ATOM 0 HG SER A 74 0.673 -7.217 6.654 1.00 0.00 H new ATOM 1112 N VAL A 75 -2.068 -3.280 4.011 1.00 0.00 N ATOM 1113 CA VAL A 75 -3.372 -2.657 3.791 1.00 0.00 C ATOM 1114 C VAL A 75 -3.952 -3.078 2.445 1.00 0.00 C ATOM 1115 O VAL A 75 -3.215 -3.462 1.539 1.00 0.00 O ATOM 1116 CB VAL A 75 -3.282 -1.123 3.834 1.00 0.00 C ATOM 1117 CG1 VAL A 75 -4.668 -0.509 3.838 1.00 0.00 C ATOM 1118 CG2 VAL A 75 -2.484 -0.661 5.045 1.00 0.00 C ATOM 0 H VAL A 75 -1.465 -3.291 3.188 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.024 -2.995 4.596 1.00 0.00 H new ATOM 0 HB VAL A 75 -2.760 -0.786 2.938 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -4.585 0.577 3.869 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.200 -0.807 2.935 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.217 -0.856 4.714 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.434 0.428 5.054 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -2.971 -1.009 5.956 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -1.475 -1.070 4.994 1.00 0.00 H new ATOM 1128 N GLN A 76 -5.274 -3.006 2.314 1.00 0.00 N ATOM 1129 CA GLN A 76 -5.935 -3.397 1.073 1.00 0.00 C ATOM 1130 C GLN A 76 -6.563 -2.200 0.367 1.00 0.00 C ATOM 1131 O GLN A 76 -6.713 -1.125 0.948 1.00 0.00 O ATOM 1132 CB GLN A 76 -7.007 -4.446 1.357 1.00 0.00 C ATOM 1133 CG GLN A 76 -6.480 -5.686 2.059 1.00 0.00 C ATOM 1134 CD GLN A 76 -7.453 -6.231 3.087 1.00 0.00 C ATOM 1135 OE1 GLN A 76 -8.323 -7.041 2.768 1.00 0.00 O ATOM 1136 NE2 GLN A 76 -7.311 -5.785 4.329 1.00 0.00 N ATOM 0 H GLN A 76 -5.905 -2.683 3.047 1.00 0.00 H new ATOM 0 HA GLN A 76 -5.175 -3.817 0.414 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -7.788 -3.997 1.970 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.471 -4.742 0.416 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -6.270 -6.457 1.318 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -5.535 -5.448 2.548 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -6.575 -5.113 4.549 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -7.937 -6.114 5.064 1.00 0.00 H new ATOM 1145 N VAL A 77 -6.921 -2.404 -0.898 1.00 0.00 N ATOM 1146 CA VAL A 77 -7.530 -1.360 -1.716 1.00 0.00 C ATOM 1147 C VAL A 77 -8.621 -1.944 -2.605 1.00 0.00 C ATOM 1148 O VAL A 77 -8.552 -3.108 -2.989 1.00 0.00 O ATOM 1149 CB VAL A 77 -6.473 -0.670 -2.601 1.00 0.00 C ATOM 1150 CG1 VAL A 77 -7.061 0.546 -3.299 1.00 0.00 C ATOM 1151 CG2 VAL A 77 -5.254 -0.284 -1.777 1.00 0.00 C ATOM 0 H VAL A 77 -6.798 -3.293 -1.383 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.967 -0.624 -1.041 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.157 -1.377 -3.368 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.296 1.016 -3.917 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.896 0.236 -3.927 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.413 1.259 -2.553 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.519 0.202 -2.419 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.553 0.402 -0.985 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -4.815 -1.179 -1.336 1.00 0.00 H new ATOM 1161 N VAL A 78 -9.630 -1.139 -2.927 1.00 0.00 N ATOM 1162 CA VAL A 78 -10.731 -1.600 -3.771 1.00 0.00 C ATOM 1163 C VAL A 78 -11.015 -0.628 -4.910 1.00 0.00 C ATOM 1164 O VAL A 78 -10.543 0.509 -4.903 1.00 0.00 O ATOM 1165 CB VAL A 78 -12.020 -1.796 -2.953 1.00 0.00 C ATOM 1166 CG1 VAL A 78 -11.871 -2.965 -1.993 1.00 0.00 C ATOM 1167 CG2 VAL A 78 -12.374 -0.520 -2.201 1.00 0.00 C ATOM 0 H VAL A 78 -9.709 -0.170 -2.619 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.418 -2.556 -4.190 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.834 -2.023 -3.641 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -12.792 -3.088 -1.424 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -11.669 -3.876 -2.557 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.045 -2.771 -1.309 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -13.288 -0.677 -1.628 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -11.561 -0.260 -1.523 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -12.527 0.291 -2.913 1.00 0.00 H new ATOM 1177 N ALA A 79 -11.793 -1.086 -5.889 1.00 0.00 N ATOM 1178 CA ALA A 79 -12.146 -0.260 -7.037 1.00 0.00 C ATOM 1179 C ALA A 79 -13.346 0.628 -6.726 1.00 0.00 C ATOM 1180 O ALA A 79 -13.156 1.857 -6.603 1.00 0.00 O ATOM 1181 CB ALA A 79 -12.433 -1.129 -8.253 1.00 0.00 C ATOM 1182 OXT ALA A 79 -14.466 0.088 -6.610 1.00 0.00 O ATOM 0 H ALA A 79 -12.190 -2.025 -5.908 1.00 0.00 H new ATOM 0 HA ALA A 79 -11.295 0.384 -7.260 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -12.695 -0.495 -9.100 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -11.547 -1.715 -8.499 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -13.263 -1.801 -8.033 1.00 0.00 H new TER 1188 ALA A 79