USER MOD reduce.3.24.130724 H: found=0, std=0, add=431, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 432 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 59 SER OG : rot -90:sc= 0.407 USER MOD Set 1.2: A 61 THR OG1 : rot 31:sc= 0.0393 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -0.0184 X(o=-0.018,f=-0.4) USER MOD Single : A 31 MET CE :methyl -173:sc= -0.616 (180deg=-0.647) USER MOD Single : A 32 THR OG1 : rot 44:sc= 0.334 USER MOD Single : A 33 CYS SG : rot -108:sc= 0.419 USER MOD Single : A 35 HIS : no HD1:sc=-0.00714 X(o=-0.0071,f=0) USER MOD Single : A 36 CYS SG : rot -44:sc= -3.26! USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -133:sc= 0.32 (180deg=0.239) USER MOD Single : A 47 THR OG1 : rot 106:sc= 1.17 USER MOD Single : A 54 HIS : no HD1:sc= -0.0182 X(o=-0.018,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HD1:sc= -0.0383 K(o=-0.038,f=-1.6) USER MOD Single : A 78 THR OG1 : rot 29:sc= 0.196 USER MOD Single : A 82 TYR OH : rot -77:sc= -0.131 USER MOD Single : A 83 THR OG1 : rot -170:sc= -0.565 USER MOD ----------------------------------------------------------------- ATOM 11 N GLY A 23 4.209 8.330 7.969 1.00 0.00 N ATOM 12 CA GLY A 23 3.934 6.914 7.702 1.00 0.00 C ATOM 13 C GLY A 23 4.865 6.344 6.637 1.00 0.00 C ATOM 14 O GLY A 23 5.633 7.092 6.008 1.00 0.00 O ATOM 0 HA2 GLY A 23 4.044 6.343 8.624 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.899 6.800 7.378 1.00 0.00 H new ATOM 18 N LEU A 24 4.777 5.019 6.413 1.00 0.00 N ATOM 19 CA LEU A 24 5.626 4.301 5.441 1.00 0.00 C ATOM 20 C LEU A 24 5.069 4.535 4.022 1.00 0.00 C ATOM 21 O LEU A 24 4.009 4.004 3.676 1.00 0.00 O ATOM 22 CB LEU A 24 5.626 2.779 5.755 1.00 0.00 C ATOM 23 CG LEU A 24 6.011 2.341 7.205 1.00 0.00 C ATOM 24 CD1 LEU A 24 5.801 0.820 7.393 1.00 0.00 C ATOM 25 CD2 LEU A 24 7.455 2.751 7.566 1.00 0.00 C ATOM 0 H LEU A 24 4.115 4.415 6.901 1.00 0.00 H new ATOM 0 HA LEU A 24 6.648 4.674 5.506 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.630 2.391 5.540 1.00 0.00 H new ATOM 0 HB3 LEU A 24 6.314 2.293 5.063 1.00 0.00 H new ATOM 0 HG LEU A 24 5.347 2.866 7.892 1.00 0.00 H new ATOM 0 HD11 LEU A 24 6.075 0.538 8.409 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.754 0.573 7.218 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.426 0.276 6.684 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.682 2.428 8.582 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.151 2.281 6.872 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.553 3.835 7.500 1.00 0.00 H new ATOM 37 N SER A 25 5.773 5.340 3.214 1.00 0.00 N ATOM 38 CA SER A 25 5.278 5.764 1.895 1.00 0.00 C ATOM 39 C SER A 25 5.822 4.841 0.786 1.00 0.00 C ATOM 40 O SER A 25 7.025 4.850 0.492 1.00 0.00 O ATOM 41 CB SER A 25 5.686 7.232 1.650 1.00 0.00 C ATOM 42 OG SER A 25 5.251 8.076 2.713 1.00 0.00 O ATOM 0 H SER A 25 6.692 5.713 3.452 1.00 0.00 H new ATOM 0 HA SER A 25 4.191 5.690 1.874 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.769 7.299 1.550 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.258 7.578 0.709 1.00 0.00 H new ATOM 0 HG SER A 25 5.525 8.999 2.531 1.00 0.00 H new ATOM 48 N PHE A 26 4.925 4.042 0.187 1.00 0.00 N ATOM 49 CA PHE A 26 5.249 3.116 -0.917 1.00 0.00 C ATOM 50 C PHE A 26 4.681 3.666 -2.221 1.00 0.00 C ATOM 51 O PHE A 26 3.629 4.288 -2.215 1.00 0.00 O ATOM 52 CB PHE A 26 4.671 1.704 -0.638 1.00 0.00 C ATOM 53 CG PHE A 26 5.278 1.044 0.600 1.00 0.00 C ATOM 54 CD1 PHE A 26 6.464 0.311 0.511 1.00 0.00 C ATOM 55 CD2 PHE A 26 4.679 1.173 1.855 1.00 0.00 C ATOM 56 CE1 PHE A 26 7.024 -0.269 1.632 1.00 0.00 C ATOM 57 CE2 PHE A 26 5.246 0.596 2.971 1.00 0.00 C ATOM 58 CZ PHE A 26 6.414 -0.128 2.860 1.00 0.00 C ATOM 0 H PHE A 26 3.942 4.018 0.457 1.00 0.00 H new ATOM 0 HA PHE A 26 6.332 3.029 -0.998 1.00 0.00 H new ATOM 0 HB2 PHE A 26 3.591 1.778 -0.511 1.00 0.00 H new ATOM 0 HB3 PHE A 26 4.847 1.068 -1.505 1.00 0.00 H new ATOM 0 HD1 PHE A 26 6.949 0.197 -0.447 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.760 1.732 1.952 1.00 0.00 H new ATOM 0 HE1 PHE A 26 7.941 -0.834 1.547 1.00 0.00 H new ATOM 0 HE2 PHE A 26 4.774 0.711 3.935 1.00 0.00 H new ATOM 0 HZ PHE A 26 6.851 -0.585 3.736 1.00 0.00 H new ATOM 68 N HIS A 27 5.384 3.422 -3.330 1.00 0.00 N ATOM 69 CA HIS A 27 4.965 3.861 -4.675 1.00 0.00 C ATOM 70 C HIS A 27 4.907 2.633 -5.596 1.00 0.00 C ATOM 71 O HIS A 27 5.805 1.792 -5.552 1.00 0.00 O ATOM 72 CB HIS A 27 5.932 4.943 -5.230 1.00 0.00 C ATOM 73 CG HIS A 27 7.365 4.492 -5.379 1.00 0.00 C ATOM 74 ND1 HIS A 27 7.903 4.081 -6.577 1.00 0.00 N ATOM 75 CD2 HIS A 27 8.370 4.391 -4.475 1.00 0.00 C ATOM 76 CE1 HIS A 27 9.163 3.749 -6.402 1.00 0.00 C ATOM 77 NE2 HIS A 27 9.473 3.927 -5.135 1.00 0.00 N ATOM 0 H HIS A 27 6.267 2.911 -3.326 1.00 0.00 H new ATOM 0 HA HIS A 27 3.976 4.317 -4.623 1.00 0.00 H new ATOM 0 HB2 HIS A 27 5.566 5.273 -6.202 1.00 0.00 H new ATOM 0 HB3 HIS A 27 5.905 5.809 -4.568 1.00 0.00 H new ATOM 0 HD2 HIS A 27 8.310 4.633 -3.424 1.00 0.00 H new ATOM 0 HE1 HIS A 27 9.832 3.390 -7.170 1.00 0.00 H new ATOM 0 HE2 HIS A 27 10.385 3.748 -4.715 1.00 0.00 H new ATOM 86 N VAL A 28 3.838 2.532 -6.408 1.00 0.00 N ATOM 87 CA VAL A 28 3.524 1.318 -7.208 1.00 0.00 C ATOM 88 C VAL A 28 3.354 1.658 -8.706 1.00 0.00 C ATOM 89 O VAL A 28 2.546 2.507 -9.051 1.00 0.00 O ATOM 90 CB VAL A 28 2.202 0.641 -6.679 1.00 0.00 C ATOM 91 CG1 VAL A 28 1.812 -0.591 -7.523 1.00 0.00 C ATOM 92 CG2 VAL A 28 2.321 0.268 -5.185 1.00 0.00 C ATOM 0 H VAL A 28 3.163 3.287 -6.533 1.00 0.00 H new ATOM 0 HA VAL A 28 4.361 0.629 -7.099 1.00 0.00 H new ATOM 0 HB VAL A 28 1.404 1.376 -6.781 1.00 0.00 H new ATOM 0 HG11 VAL A 28 0.896 -1.029 -7.126 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.650 -0.287 -8.557 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.614 -1.328 -7.482 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.393 -0.197 -4.851 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.146 -0.431 -5.049 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.508 1.168 -4.599 1.00 0.00 H new ATOM 102 N GLU A 29 4.091 0.957 -9.590 1.00 0.00 N ATOM 103 CA GLU A 29 3.993 1.143 -11.056 1.00 0.00 C ATOM 104 C GLU A 29 2.668 0.578 -11.612 1.00 0.00 C ATOM 105 O GLU A 29 2.055 1.178 -12.502 1.00 0.00 O ATOM 106 CB GLU A 29 5.195 0.469 -11.763 1.00 0.00 C ATOM 107 CG GLU A 29 6.572 0.981 -11.303 1.00 0.00 C ATOM 108 CD GLU A 29 7.725 0.381 -12.117 1.00 0.00 C ATOM 109 OE1 GLU A 29 8.043 -0.815 -11.923 1.00 0.00 O ATOM 110 OE2 GLU A 29 8.303 1.088 -12.971 1.00 0.00 O ATOM 0 H GLU A 29 4.769 0.248 -9.312 1.00 0.00 H new ATOM 0 HA GLU A 29 4.011 2.214 -11.256 1.00 0.00 H new ATOM 0 HB2 GLU A 29 5.145 -0.606 -11.592 1.00 0.00 H new ATOM 0 HB3 GLU A 29 5.103 0.626 -12.838 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.599 2.067 -11.388 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.712 0.740 -10.249 1.00 0.00 H new ATOM 117 N ASP A 30 2.229 -0.558 -11.048 1.00 0.00 N ATOM 118 CA ASP A 30 1.055 -1.313 -11.555 1.00 0.00 C ATOM 119 C ASP A 30 -0.280 -0.629 -11.194 1.00 0.00 C ATOM 120 O ASP A 30 -1.277 -0.830 -11.883 1.00 0.00 O ATOM 121 CB ASP A 30 1.089 -2.756 -10.978 1.00 0.00 C ATOM 122 CG ASP A 30 -0.020 -3.677 -11.524 1.00 0.00 C ATOM 123 OD1 ASP A 30 0.072 -4.093 -12.699 1.00 0.00 O ATOM 124 OD2 ASP A 30 -0.987 -3.991 -10.786 1.00 0.00 O ATOM 0 H ASP A 30 2.670 -0.983 -10.232 1.00 0.00 H new ATOM 0 HA ASP A 30 1.116 -1.340 -12.643 1.00 0.00 H new ATOM 0 HB2 ASP A 30 2.059 -3.202 -11.199 1.00 0.00 H new ATOM 0 HB3 ASP A 30 1.002 -2.704 -9.893 1.00 0.00 H new ATOM 129 N MET A 31 -0.254 0.224 -10.153 1.00 0.00 N ATOM 130 CA MET A 31 -1.450 0.883 -9.591 1.00 0.00 C ATOM 131 C MET A 31 -2.073 1.863 -10.609 1.00 0.00 C ATOM 132 O MET A 31 -1.408 2.797 -11.059 1.00 0.00 O ATOM 133 CB MET A 31 -1.045 1.623 -8.287 1.00 0.00 C ATOM 134 CG MET A 31 -2.166 2.386 -7.573 1.00 0.00 C ATOM 135 SD MET A 31 -1.592 3.189 -6.063 1.00 0.00 S ATOM 136 CE MET A 31 -3.107 3.937 -5.481 1.00 0.00 C ATOM 0 H MET A 31 0.609 0.479 -9.672 1.00 0.00 H new ATOM 0 HA MET A 31 -2.205 0.131 -9.364 1.00 0.00 H new ATOM 0 HB2 MET A 31 -0.629 0.893 -7.592 1.00 0.00 H new ATOM 0 HB3 MET A 31 -0.247 2.327 -8.525 1.00 0.00 H new ATOM 0 HG2 MET A 31 -2.578 3.137 -8.247 1.00 0.00 H new ATOM 0 HG3 MET A 31 -2.975 1.697 -7.331 1.00 0.00 H new ATOM 0 HE1 MET A 31 -2.892 4.573 -4.622 1.00 0.00 H new ATOM 0 HE2 MET A 31 -3.545 4.538 -6.278 1.00 0.00 H new ATOM 0 HE3 MET A 31 -3.809 3.156 -5.188 1.00 0.00 H new ATOM 146 N THR A 32 -3.345 1.634 -10.989 1.00 0.00 N ATOM 147 CA THR A 32 -4.056 2.494 -11.954 1.00 0.00 C ATOM 148 C THR A 32 -5.412 2.969 -11.378 1.00 0.00 C ATOM 149 O THR A 32 -6.414 2.237 -11.428 1.00 0.00 O ATOM 150 CB THR A 32 -4.277 1.737 -13.317 1.00 0.00 C ATOM 151 OG1 THR A 32 -4.908 0.469 -13.075 1.00 0.00 O ATOM 152 CG2 THR A 32 -2.958 1.502 -14.082 1.00 0.00 C ATOM 0 H THR A 32 -3.904 0.855 -10.640 1.00 0.00 H new ATOM 0 HA THR A 32 -3.437 3.371 -12.140 1.00 0.00 H new ATOM 0 HB THR A 32 -4.914 2.372 -13.933 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.632 0.583 -12.424 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.167 0.977 -15.014 1.00 0.00 H new ATOM 0 HG22 THR A 32 -2.490 2.461 -14.303 1.00 0.00 H new ATOM 0 HG23 THR A 32 -2.285 0.902 -13.470 1.00 0.00 H new ATOM 160 N CYS A 33 -5.386 4.190 -10.792 1.00 0.00 N ATOM 161 CA CYS A 33 -6.579 4.984 -10.410 1.00 0.00 C ATOM 162 C CYS A 33 -7.637 4.183 -9.568 1.00 0.00 C ATOM 163 O CYS A 33 -7.262 3.296 -8.788 1.00 0.00 O ATOM 164 CB CYS A 33 -7.161 5.631 -11.699 1.00 0.00 C ATOM 165 SG CYS A 33 -8.357 6.952 -11.400 1.00 0.00 S ATOM 0 H CYS A 33 -4.511 4.663 -10.566 1.00 0.00 H new ATOM 0 HA CYS A 33 -6.275 5.772 -9.721 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -6.339 6.030 -12.293 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -7.638 4.854 -12.297 1.00 0.00 H new ATOM 0 HG CYS A 33 -9.550 6.535 -11.706 1.00 0.00 H new ATOM 171 N GLY A 34 -8.944 4.512 -9.726 1.00 0.00 N ATOM 172 CA GLY A 34 -10.025 3.943 -8.916 1.00 0.00 C ATOM 173 C GLY A 34 -10.203 2.427 -9.042 1.00 0.00 C ATOM 174 O GLY A 34 -10.637 1.783 -8.083 1.00 0.00 O ATOM 0 H GLY A 34 -9.268 5.182 -10.424 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.840 4.186 -7.870 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.961 4.427 -9.195 1.00 0.00 H new ATOM 178 N HIS A 35 -9.841 1.861 -10.213 1.00 0.00 N ATOM 179 CA HIS A 35 -9.983 0.409 -10.500 1.00 0.00 C ATOM 180 C HIS A 35 -9.093 -0.451 -9.587 1.00 0.00 C ATOM 181 O HIS A 35 -9.426 -1.610 -9.303 1.00 0.00 O ATOM 182 CB HIS A 35 -9.654 0.085 -11.987 1.00 0.00 C ATOM 183 CG HIS A 35 -10.668 0.578 -12.989 1.00 0.00 C ATOM 184 ND1 HIS A 35 -10.345 0.882 -14.294 1.00 0.00 N ATOM 185 CD2 HIS A 35 -11.998 0.810 -12.873 1.00 0.00 C ATOM 186 CE1 HIS A 35 -11.429 1.267 -14.934 1.00 0.00 C ATOM 187 NE2 HIS A 35 -12.442 1.231 -14.098 1.00 0.00 N ATOM 0 H HIS A 35 -9.443 2.392 -10.987 1.00 0.00 H new ATOM 0 HA HIS A 35 -11.026 0.162 -10.302 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -8.684 0.519 -12.231 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -9.556 -0.995 -12.094 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -12.595 0.686 -11.982 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -11.478 1.563 -15.972 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -13.405 1.477 -14.325 1.00 0.00 H new ATOM 196 N CYS A 36 -7.960 0.113 -9.148 1.00 0.00 N ATOM 197 CA CYS A 36 -7.015 -0.584 -8.256 1.00 0.00 C ATOM 198 C CYS A 36 -7.195 -0.135 -6.803 1.00 0.00 C ATOM 199 O CYS A 36 -6.768 -0.843 -5.893 1.00 0.00 O ATOM 200 CB CYS A 36 -5.572 -0.292 -8.694 1.00 0.00 C ATOM 201 SG CYS A 36 -5.077 1.431 -8.510 1.00 0.00 S ATOM 0 H CYS A 36 -7.671 1.059 -9.397 1.00 0.00 H new ATOM 0 HA CYS A 36 -7.217 -1.653 -8.322 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -4.894 -0.917 -8.112 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -5.456 -0.582 -9.738 1.00 0.00 H new ATOM 0 HG CYS A 36 -6.031 2.204 -8.936 1.00 0.00 H new ATOM 207 N ALA A 37 -7.847 1.040 -6.609 1.00 0.00 N ATOM 208 CA ALA A 37 -7.862 1.762 -5.323 1.00 0.00 C ATOM 209 C ALA A 37 -8.373 0.890 -4.162 1.00 0.00 C ATOM 210 O ALA A 37 -7.649 0.675 -3.199 1.00 0.00 O ATOM 211 CB ALA A 37 -8.696 3.051 -5.441 1.00 0.00 C ATOM 0 H ALA A 37 -8.376 1.509 -7.344 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.830 2.024 -5.091 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -8.697 3.572 -4.484 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -8.262 3.696 -6.205 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -9.719 2.798 -5.718 1.00 0.00 H new ATOM 217 N GLY A 38 -9.577 0.316 -4.319 1.00 0.00 N ATOM 218 CA GLY A 38 -10.216 -0.480 -3.261 1.00 0.00 C ATOM 219 C GLY A 38 -9.446 -1.753 -2.909 1.00 0.00 C ATOM 220 O GLY A 38 -9.388 -2.149 -1.735 1.00 0.00 O ATOM 0 H GLY A 38 -10.129 0.390 -5.174 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.317 0.134 -2.366 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -11.223 -0.750 -3.578 1.00 0.00 H new ATOM 224 N VAL A 39 -8.833 -2.371 -3.934 1.00 0.00 N ATOM 225 CA VAL A 39 -8.078 -3.629 -3.780 1.00 0.00 C ATOM 226 C VAL A 39 -6.744 -3.389 -3.040 1.00 0.00 C ATOM 227 O VAL A 39 -6.418 -4.105 -2.087 1.00 0.00 O ATOM 228 CB VAL A 39 -7.801 -4.317 -5.174 1.00 0.00 C ATOM 229 CG1 VAL A 39 -7.063 -5.669 -4.998 1.00 0.00 C ATOM 230 CG2 VAL A 39 -9.110 -4.499 -5.983 1.00 0.00 C ATOM 0 H VAL A 39 -8.846 -2.015 -4.890 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.697 -4.300 -3.184 1.00 0.00 H new ATOM 0 HB VAL A 39 -7.149 -3.653 -5.742 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.887 -6.117 -5.976 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.109 -5.500 -4.499 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.674 -6.341 -4.395 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -8.885 -4.975 -6.937 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -9.802 -5.125 -5.419 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -9.565 -3.525 -6.162 1.00 0.00 H new ATOM 240 N ILE A 40 -6.004 -2.354 -3.478 1.00 0.00 N ATOM 241 CA ILE A 40 -4.652 -2.036 -2.970 1.00 0.00 C ATOM 242 C ILE A 40 -4.704 -1.557 -1.499 1.00 0.00 C ATOM 243 O ILE A 40 -3.775 -1.808 -0.715 1.00 0.00 O ATOM 244 CB ILE A 40 -3.924 -0.993 -3.922 1.00 0.00 C ATOM 245 CG1 ILE A 40 -2.379 -1.008 -3.709 1.00 0.00 C ATOM 246 CG2 ILE A 40 -4.491 0.444 -3.777 1.00 0.00 C ATOM 247 CD1 ILE A 40 -1.587 -0.232 -4.753 1.00 0.00 C ATOM 0 H ILE A 40 -6.327 -1.709 -4.199 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.057 -2.949 -2.979 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.130 -1.313 -4.943 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.157 -0.597 -2.724 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.036 -2.043 -3.707 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.957 1.115 -4.450 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -5.551 0.444 -4.030 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.363 0.784 -2.749 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.523 -0.297 -4.525 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.774 -0.655 -5.740 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.897 0.813 -4.742 1.00 0.00 H new ATOM 259 N LYS A 41 -5.816 -0.873 -1.142 1.00 0.00 N ATOM 260 CA LYS A 41 -6.122 -0.479 0.243 1.00 0.00 C ATOM 261 C LYS A 41 -6.314 -1.731 1.118 1.00 0.00 C ATOM 262 O LYS A 41 -5.576 -1.954 2.085 1.00 0.00 O ATOM 263 CB LYS A 41 -7.433 0.358 0.295 1.00 0.00 C ATOM 264 CG LYS A 41 -7.393 1.750 -0.376 1.00 0.00 C ATOM 265 CD LYS A 41 -8.828 2.337 -0.558 1.00 0.00 C ATOM 266 CE LYS A 41 -8.865 3.642 -1.370 1.00 0.00 C ATOM 267 NZ LYS A 41 -8.237 4.764 -0.644 1.00 0.00 N ATOM 0 H LYS A 41 -6.526 -0.580 -1.813 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.289 0.117 0.615 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.227 -0.223 -0.174 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.710 0.492 1.341 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.794 2.430 0.230 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.904 1.673 -1.347 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.454 1.594 -1.052 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.264 2.519 0.424 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -8.352 3.492 -2.320 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -9.899 3.895 -1.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -8.284 5.624 -1.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.742 4.924 0.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.242 4.535 -0.444 1.00 0.00 H new ATOM 281 N GLY A 42 -7.306 -2.555 0.710 1.00 0.00 N ATOM 282 CA GLY A 42 -7.785 -3.694 1.501 1.00 0.00 C ATOM 283 C GLY A 42 -6.752 -4.802 1.678 1.00 0.00 C ATOM 284 O GLY A 42 -6.741 -5.477 2.718 1.00 0.00 O ATOM 0 H GLY A 42 -7.793 -2.442 -0.179 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.093 -3.337 2.484 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.671 -4.110 1.021 1.00 0.00 H new ATOM 288 N ALA A 43 -5.872 -4.959 0.666 1.00 0.00 N ATOM 289 CA ALA A 43 -4.806 -5.981 0.649 1.00 0.00 C ATOM 290 C ALA A 43 -3.901 -5.837 1.881 1.00 0.00 C ATOM 291 O ALA A 43 -3.685 -6.800 2.620 1.00 0.00 O ATOM 292 CB ALA A 43 -3.981 -5.880 -0.651 1.00 0.00 C ATOM 0 H ALA A 43 -5.883 -4.374 -0.169 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.272 -6.966 0.682 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.200 -6.640 -0.646 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.634 -6.036 -1.510 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.525 -4.892 -0.717 1.00 0.00 H new ATOM 298 N ILE A 44 -3.411 -4.611 2.103 1.00 0.00 N ATOM 299 CA ILE A 44 -2.545 -4.277 3.249 1.00 0.00 C ATOM 300 C ILE A 44 -3.350 -4.217 4.561 1.00 0.00 C ATOM 301 O ILE A 44 -2.987 -4.863 5.552 1.00 0.00 O ATOM 302 CB ILE A 44 -1.828 -2.898 3.025 1.00 0.00 C ATOM 303 CG1 ILE A 44 -1.021 -2.888 1.688 1.00 0.00 C ATOM 304 CG2 ILE A 44 -0.917 -2.540 4.231 1.00 0.00 C ATOM 305 CD1 ILE A 44 -0.397 -1.547 1.338 1.00 0.00 C ATOM 0 H ILE A 44 -3.603 -3.817 1.492 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.798 -5.067 3.327 1.00 0.00 H new ATOM 0 HB ILE A 44 -2.600 -2.132 2.950 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -0.231 -3.637 1.749 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -1.683 -3.189 0.876 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.433 -1.580 4.049 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -1.520 -2.476 5.136 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.157 -3.312 4.355 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.144 -1.632 0.395 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.180 -0.796 1.240 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.294 -1.250 2.127 1.00 0.00 H new ATOM 317 N GLU A 45 -4.457 -3.457 4.518 1.00 0.00 N ATOM 318 CA GLU A 45 -5.212 -3.009 5.709 1.00 0.00 C ATOM 319 C GLU A 45 -5.724 -4.184 6.570 1.00 0.00 C ATOM 320 O GLU A 45 -5.614 -4.157 7.800 1.00 0.00 O ATOM 321 CB GLU A 45 -6.402 -2.117 5.255 1.00 0.00 C ATOM 322 CG GLU A 45 -7.183 -1.449 6.408 1.00 0.00 C ATOM 323 CD GLU A 45 -8.401 -0.640 5.938 1.00 0.00 C ATOM 324 OE1 GLU A 45 -8.213 0.456 5.369 1.00 0.00 O ATOM 325 OE2 GLU A 45 -9.551 -1.088 6.147 1.00 0.00 O ATOM 0 H GLU A 45 -4.862 -3.129 3.641 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.529 -2.438 6.337 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.023 -1.339 4.592 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.093 -2.725 4.671 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.515 -2.219 7.104 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.510 -0.791 6.958 1.00 0.00 H new ATOM 332 N LYS A 46 -6.279 -5.204 5.911 1.00 0.00 N ATOM 333 CA LYS A 46 -6.892 -6.359 6.605 1.00 0.00 C ATOM 334 C LYS A 46 -5.821 -7.379 7.053 1.00 0.00 C ATOM 335 O LYS A 46 -6.027 -8.095 8.041 1.00 0.00 O ATOM 336 CB LYS A 46 -7.979 -7.038 5.711 1.00 0.00 C ATOM 337 CG LYS A 46 -9.314 -6.246 5.572 1.00 0.00 C ATOM 338 CD LYS A 46 -9.178 -4.926 4.777 1.00 0.00 C ATOM 339 CE LYS A 46 -10.487 -4.128 4.686 1.00 0.00 C ATOM 340 NZ LYS A 46 -10.956 -3.671 6.014 1.00 0.00 N ATOM 0 H LYS A 46 -6.321 -5.261 4.893 1.00 0.00 H new ATOM 0 HA LYS A 46 -7.384 -5.983 7.502 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -7.562 -7.194 4.716 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.201 -8.023 6.122 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -10.052 -6.880 5.081 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.698 -6.022 6.567 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -8.415 -4.305 5.247 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -8.829 -5.152 3.770 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -10.340 -3.264 4.037 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.256 -4.746 4.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -11.970 -3.879 6.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -10.425 -4.166 6.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -10.803 -2.646 6.103 1.00 0.00 H new ATOM 354 N THR A 47 -4.678 -7.424 6.334 1.00 0.00 N ATOM 355 CA THR A 47 -3.559 -8.339 6.653 1.00 0.00 C ATOM 356 C THR A 47 -2.790 -7.846 7.899 1.00 0.00 C ATOM 357 O THR A 47 -2.364 -8.650 8.736 1.00 0.00 O ATOM 358 CB THR A 47 -2.602 -8.496 5.425 1.00 0.00 C ATOM 359 OG1 THR A 47 -3.360 -8.979 4.304 1.00 0.00 O ATOM 360 CG2 THR A 47 -1.436 -9.467 5.701 1.00 0.00 C ATOM 0 H THR A 47 -4.505 -6.832 5.522 1.00 0.00 H new ATOM 0 HA THR A 47 -3.974 -9.321 6.880 1.00 0.00 H new ATOM 0 HB THR A 47 -2.169 -7.518 5.217 1.00 0.00 H new ATOM 0 HG1 THR A 47 -3.495 -8.251 3.662 1.00 0.00 H new ATOM 0 HG21 THR A 47 -0.804 -9.538 4.816 1.00 0.00 H new ATOM 0 HG22 THR A 47 -0.846 -9.098 6.540 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.833 -10.453 5.943 1.00 0.00 H new ATOM 368 N VAL A 48 -2.635 -6.519 8.014 1.00 0.00 N ATOM 369 CA VAL A 48 -2.037 -5.866 9.198 1.00 0.00 C ATOM 370 C VAL A 48 -3.037 -4.822 9.746 1.00 0.00 C ATOM 371 O VAL A 48 -3.117 -3.703 9.218 1.00 0.00 O ATOM 372 CB VAL A 48 -0.645 -5.188 8.870 1.00 0.00 C ATOM 373 CG1 VAL A 48 -0.073 -4.420 10.090 1.00 0.00 C ATOM 374 CG2 VAL A 48 0.376 -6.229 8.352 1.00 0.00 C ATOM 0 H VAL A 48 -2.921 -5.862 7.288 1.00 0.00 H new ATOM 0 HA VAL A 48 -1.839 -6.629 9.951 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.824 -4.460 8.078 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.883 -3.970 9.821 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.771 -3.638 10.387 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.072 -5.112 10.920 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.322 -5.734 8.135 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.533 -6.994 9.112 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.007 -6.693 7.443 1.00 0.00 H new ATOM 384 N PRO A 49 -3.877 -5.204 10.767 1.00 0.00 N ATOM 385 CA PRO A 49 -4.733 -4.249 11.507 1.00 0.00 C ATOM 386 C PRO A 49 -3.889 -3.149 12.192 1.00 0.00 C ATOM 387 O PRO A 49 -2.965 -3.455 12.957 1.00 0.00 O ATOM 388 CB PRO A 49 -5.464 -5.141 12.552 1.00 0.00 C ATOM 389 CG PRO A 49 -5.426 -6.518 11.953 1.00 0.00 C ATOM 390 CD PRO A 49 -4.094 -6.600 11.243 1.00 0.00 C ATOM 0 HA PRO A 49 -5.425 -3.713 10.857 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.962 -5.114 13.519 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.488 -4.806 12.715 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -5.511 -7.285 12.722 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -6.253 -6.669 11.259 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.299 -6.925 11.914 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.122 -7.308 10.415 1.00 0.00 H new ATOM 398 N GLY A 50 -4.202 -1.879 11.888 1.00 0.00 N ATOM 399 CA GLY A 50 -3.442 -0.732 12.388 1.00 0.00 C ATOM 400 C GLY A 50 -2.599 -0.061 11.308 1.00 0.00 C ATOM 401 O GLY A 50 -2.004 0.990 11.564 1.00 0.00 O ATOM 0 H GLY A 50 -4.988 -1.623 11.290 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -4.132 -0.001 12.809 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.791 -1.060 13.199 1.00 0.00 H new ATOM 405 N ALA A 51 -2.519 -0.683 10.110 1.00 0.00 N ATOM 406 CA ALA A 51 -1.892 -0.051 8.934 1.00 0.00 C ATOM 407 C ALA A 51 -2.931 0.853 8.247 1.00 0.00 C ATOM 408 O ALA A 51 -3.870 0.367 7.597 1.00 0.00 O ATOM 409 CB ALA A 51 -1.355 -1.119 7.959 1.00 0.00 C ATOM 0 H ALA A 51 -2.881 -1.620 9.935 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.042 0.552 9.252 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.897 -0.630 7.099 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.611 -1.733 8.466 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.177 -1.750 7.622 1.00 0.00 H new ATOM 415 N ALA A 52 -2.761 2.172 8.417 1.00 0.00 N ATOM 416 CA ALA A 52 -3.681 3.181 7.880 1.00 0.00 C ATOM 417 C ALA A 52 -3.258 3.556 6.458 1.00 0.00 C ATOM 418 O ALA A 52 -2.322 4.338 6.274 1.00 0.00 O ATOM 419 CB ALA A 52 -3.716 4.413 8.799 1.00 0.00 C ATOM 0 H ALA A 52 -1.977 2.569 8.934 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.690 2.770 7.840 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.402 5.154 8.389 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.053 4.117 9.792 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.717 4.844 8.869 1.00 0.00 H new ATOM 425 N VAL A 53 -3.967 3.009 5.464 1.00 0.00 N ATOM 426 CA VAL A 53 -3.581 3.124 4.052 1.00 0.00 C ATOM 427 C VAL A 53 -4.071 4.470 3.464 1.00 0.00 C ATOM 428 O VAL A 53 -5.221 4.880 3.666 1.00 0.00 O ATOM 429 CB VAL A 53 -4.144 1.906 3.200 1.00 0.00 C ATOM 430 CG1 VAL A 53 -3.500 0.562 3.632 1.00 0.00 C ATOM 431 CG2 VAL A 53 -5.687 1.808 3.280 1.00 0.00 C ATOM 0 H VAL A 53 -4.823 2.475 5.615 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.493 3.095 3.999 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.872 2.101 2.163 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.909 -0.248 3.028 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.421 0.613 3.488 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -3.717 0.376 4.684 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -6.029 0.962 2.684 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -5.989 1.666 4.318 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.130 2.726 2.895 1.00 0.00 H new ATOM 441 N HIS A 54 -3.154 5.181 2.791 1.00 0.00 N ATOM 442 CA HIS A 54 -3.474 6.374 2.007 1.00 0.00 C ATOM 443 C HIS A 54 -3.037 6.078 0.582 1.00 0.00 C ATOM 444 O HIS A 54 -1.873 6.231 0.254 1.00 0.00 O ATOM 445 CB HIS A 54 -2.731 7.624 2.582 1.00 0.00 C ATOM 446 CG HIS A 54 -2.901 8.903 1.782 1.00 0.00 C ATOM 447 ND1 HIS A 54 -3.760 9.913 2.145 1.00 0.00 N ATOM 448 CD2 HIS A 54 -2.280 9.343 0.652 1.00 0.00 C ATOM 449 CE1 HIS A 54 -3.667 10.905 1.283 1.00 0.00 C ATOM 450 NE2 HIS A 54 -2.775 10.585 0.369 1.00 0.00 N ATOM 0 H HIS A 54 -2.163 4.939 2.778 1.00 0.00 H new ATOM 0 HA HIS A 54 -4.539 6.603 2.044 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -3.084 7.801 3.598 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -1.667 7.395 2.649 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -1.533 8.808 0.084 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -4.229 11.827 1.320 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -2.499 11.168 -0.421 1.00 0.00 H new ATOM 459 N ALA A 55 -3.981 5.640 -0.248 1.00 0.00 N ATOM 460 CA ALA A 55 -3.717 5.318 -1.652 1.00 0.00 C ATOM 461 C ALA A 55 -3.990 6.567 -2.501 1.00 0.00 C ATOM 462 O ALA A 55 -5.133 7.034 -2.560 1.00 0.00 O ATOM 463 CB ALA A 55 -4.600 4.127 -2.078 1.00 0.00 C ATOM 0 H ALA A 55 -4.951 5.498 0.032 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.677 5.026 -1.797 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -4.405 3.885 -3.123 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.369 3.262 -1.456 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.651 4.391 -1.956 1.00 0.00 H new ATOM 469 N ASP A 56 -2.942 7.124 -3.132 1.00 0.00 N ATOM 470 CA ASP A 56 -3.085 8.293 -4.011 1.00 0.00 C ATOM 471 C ASP A 56 -3.144 7.780 -5.455 1.00 0.00 C ATOM 472 O ASP A 56 -2.152 7.219 -5.918 1.00 0.00 O ATOM 473 CB ASP A 56 -1.906 9.287 -3.819 1.00 0.00 C ATOM 474 CG ASP A 56 -2.180 10.654 -4.481 1.00 0.00 C ATOM 475 OD1 ASP A 56 -1.966 10.798 -5.702 1.00 0.00 O ATOM 476 OD2 ASP A 56 -2.630 11.588 -3.780 1.00 0.00 O ATOM 0 H ASP A 56 -1.985 6.781 -3.048 1.00 0.00 H new ATOM 0 HA ASP A 56 -3.996 8.839 -3.766 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.725 9.431 -2.754 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.998 8.857 -4.241 1.00 0.00 H new ATOM 481 N PRO A 57 -4.311 7.906 -6.175 1.00 0.00 N ATOM 482 CA PRO A 57 -4.471 7.352 -7.543 1.00 0.00 C ATOM 483 C PRO A 57 -3.414 7.883 -8.542 1.00 0.00 C ATOM 484 O PRO A 57 -2.717 7.090 -9.189 1.00 0.00 O ATOM 485 CB PRO A 57 -5.922 7.766 -7.944 1.00 0.00 C ATOM 486 CG PRO A 57 -6.275 8.883 -7.006 1.00 0.00 C ATOM 487 CD PRO A 57 -5.565 8.563 -5.711 1.00 0.00 C ATOM 0 HA PRO A 57 -4.318 6.273 -7.564 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -5.967 8.093 -8.983 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -6.614 6.930 -7.842 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -5.952 9.845 -7.403 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -7.353 8.945 -6.858 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -5.359 9.462 -5.130 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -6.157 7.902 -5.078 1.00 0.00 H new ATOM 495 N ALA A 58 -3.265 9.215 -8.604 1.00 0.00 N ATOM 496 CA ALA A 58 -2.439 9.898 -9.625 1.00 0.00 C ATOM 497 C ALA A 58 -0.930 9.691 -9.396 1.00 0.00 C ATOM 498 O ALA A 58 -0.181 9.455 -10.349 1.00 0.00 O ATOM 499 CB ALA A 58 -2.781 11.398 -9.658 1.00 0.00 C ATOM 0 H ALA A 58 -3.713 9.855 -7.948 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.675 9.450 -10.590 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.169 11.894 -10.412 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -3.835 11.526 -9.905 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.581 11.838 -8.681 1.00 0.00 H new ATOM 505 N SER A 59 -0.499 9.775 -8.130 1.00 0.00 N ATOM 506 CA SER A 59 0.926 9.633 -7.750 1.00 0.00 C ATOM 507 C SER A 59 1.285 8.159 -7.467 1.00 0.00 C ATOM 508 O SER A 59 2.470 7.830 -7.347 1.00 0.00 O ATOM 509 CB SER A 59 1.247 10.512 -6.514 1.00 0.00 C ATOM 510 OG SER A 59 2.640 10.528 -6.220 1.00 0.00 O ATOM 0 H SER A 59 -1.120 9.942 -7.338 1.00 0.00 H new ATOM 0 HA SER A 59 1.532 9.972 -8.590 1.00 0.00 H new ATOM 0 HB2 SER A 59 0.902 11.530 -6.694 1.00 0.00 H new ATOM 0 HB3 SER A 59 0.698 10.137 -5.650 1.00 0.00 H new ATOM 0 HG SER A 59 2.853 9.797 -5.603 1.00 0.00 H new ATOM 516 N ARG A 60 0.246 7.297 -7.340 1.00 0.00 N ATOM 517 CA ARG A 60 0.394 5.835 -7.115 1.00 0.00 C ATOM 518 C ARG A 60 1.045 5.525 -5.746 1.00 0.00 C ATOM 519 O ARG A 60 1.702 4.487 -5.586 1.00 0.00 O ATOM 520 CB ARG A 60 1.192 5.144 -8.271 1.00 0.00 C ATOM 521 CG ARG A 60 0.423 4.886 -9.587 1.00 0.00 C ATOM 522 CD ARG A 60 0.178 6.126 -10.450 1.00 0.00 C ATOM 523 NE ARG A 60 -0.471 5.748 -11.721 1.00 0.00 N ATOM 524 CZ ARG A 60 -0.618 6.537 -12.794 1.00 0.00 C ATOM 525 NH1 ARG A 60 -0.197 7.797 -12.787 1.00 0.00 N ATOM 526 NH2 ARG A 60 -1.191 6.046 -13.882 1.00 0.00 N ATOM 0 H ARG A 60 -0.727 7.598 -7.391 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.614 5.420 -7.109 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.061 5.760 -8.500 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.566 4.189 -7.903 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.978 4.156 -10.177 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.539 4.435 -9.345 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -0.450 6.834 -9.910 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.124 6.629 -10.653 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.841 4.800 -11.788 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.248 8.181 -11.954 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -0.319 8.380 -13.615 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -1.514 5.079 -13.896 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -1.309 6.635 -14.706 1.00 0.00 H new ATOM 540 N THR A 61 0.819 6.392 -4.745 1.00 0.00 N ATOM 541 CA THR A 61 1.566 6.334 -3.476 1.00 0.00 C ATOM 542 C THR A 61 0.650 5.887 -2.316 1.00 0.00 C ATOM 543 O THR A 61 -0.249 6.628 -1.909 1.00 0.00 O ATOM 544 CB THR A 61 2.235 7.715 -3.166 1.00 0.00 C ATOM 545 OG1 THR A 61 2.934 8.188 -4.337 1.00 0.00 O ATOM 546 CG2 THR A 61 3.233 7.614 -1.993 1.00 0.00 C ATOM 0 H THR A 61 0.127 7.140 -4.789 1.00 0.00 H new ATOM 0 HA THR A 61 2.357 5.591 -3.580 1.00 0.00 H new ATOM 0 HB THR A 61 1.445 8.411 -2.886 1.00 0.00 H new ATOM 0 HG1 THR A 61 2.472 7.875 -5.143 1.00 0.00 H new ATOM 0 HG21 THR A 61 3.677 8.592 -1.808 1.00 0.00 H new ATOM 0 HG22 THR A 61 2.710 7.278 -1.098 1.00 0.00 H new ATOM 0 HG23 THR A 61 4.018 6.901 -2.244 1.00 0.00 H new ATOM 554 N VAL A 62 0.881 4.653 -1.814 1.00 0.00 N ATOM 555 CA VAL A 62 0.151 4.085 -0.671 1.00 0.00 C ATOM 556 C VAL A 62 1.000 4.248 0.606 1.00 0.00 C ATOM 557 O VAL A 62 2.004 3.552 0.790 1.00 0.00 O ATOM 558 CB VAL A 62 -0.209 2.568 -0.902 1.00 0.00 C ATOM 559 CG1 VAL A 62 -1.088 2.014 0.249 1.00 0.00 C ATOM 560 CG2 VAL A 62 -0.892 2.368 -2.276 1.00 0.00 C ATOM 0 H VAL A 62 1.586 4.023 -2.198 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.789 4.625 -0.561 1.00 0.00 H new ATOM 0 HB VAL A 62 0.721 2.000 -0.903 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.318 0.966 0.059 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.550 2.102 1.193 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.015 2.585 0.306 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.131 1.313 -2.413 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.809 2.956 -2.316 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.218 2.693 -3.068 1.00 0.00 H new ATOM 570 N VAL A 63 0.596 5.203 1.461 1.00 0.00 N ATOM 571 CA VAL A 63 1.278 5.507 2.728 1.00 0.00 C ATOM 572 C VAL A 63 0.520 4.830 3.882 1.00 0.00 C ATOM 573 O VAL A 63 -0.649 5.145 4.117 1.00 0.00 O ATOM 574 CB VAL A 63 1.329 7.065 2.974 1.00 0.00 C ATOM 575 CG1 VAL A 63 2.199 7.420 4.204 1.00 0.00 C ATOM 576 CG2 VAL A 63 1.807 7.819 1.705 1.00 0.00 C ATOM 0 H VAL A 63 -0.220 5.790 1.289 1.00 0.00 H new ATOM 0 HA VAL A 63 2.300 5.131 2.678 1.00 0.00 H new ATOM 0 HB VAL A 63 0.313 7.395 3.191 1.00 0.00 H new ATOM 0 HG11 VAL A 63 2.210 8.501 4.342 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.783 6.945 5.093 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.217 7.064 4.045 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.832 8.890 1.906 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.806 7.478 1.434 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.120 7.620 0.883 1.00 0.00 H new ATOM 586 N VAL A 64 1.188 3.907 4.588 1.00 0.00 N ATOM 587 CA VAL A 64 0.596 3.161 5.715 1.00 0.00 C ATOM 588 C VAL A 64 1.139 3.708 7.054 1.00 0.00 C ATOM 589 O VAL A 64 2.339 3.647 7.320 1.00 0.00 O ATOM 590 CB VAL A 64 0.836 1.609 5.564 1.00 0.00 C ATOM 591 CG1 VAL A 64 0.084 1.071 4.324 1.00 0.00 C ATOM 592 CG2 VAL A 64 2.334 1.248 5.476 1.00 0.00 C ATOM 0 H VAL A 64 2.157 3.654 4.396 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.484 3.309 5.706 1.00 0.00 H new ATOM 0 HB VAL A 64 0.444 1.135 6.464 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.257 -0.001 4.230 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.984 1.258 4.437 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.448 1.577 3.430 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.443 0.168 5.373 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.777 1.741 4.611 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.842 1.579 6.382 1.00 0.00 H new ATOM 602 N GLY A 65 0.236 4.292 7.867 1.00 0.00 N ATOM 603 CA GLY A 65 0.600 4.911 9.147 1.00 0.00 C ATOM 604 C GLY A 65 0.285 4.021 10.339 1.00 0.00 C ATOM 605 O GLY A 65 -0.702 3.280 10.316 1.00 0.00 O ATOM 0 H GLY A 65 -0.760 4.345 7.652 1.00 0.00 H new ATOM 0 HA2 GLY A 65 1.665 5.144 9.144 1.00 0.00 H new ATOM 0 HA3 GLY A 65 0.068 5.856 9.253 1.00 0.00 H new ATOM 609 N GLY A 66 1.140 4.091 11.377 1.00 0.00 N ATOM 610 CA GLY A 66 0.944 3.346 12.630 1.00 0.00 C ATOM 611 C GLY A 66 1.699 2.026 12.680 1.00 0.00 C ATOM 612 O GLY A 66 1.567 1.278 13.650 1.00 0.00 O ATOM 0 H GLY A 66 1.983 4.665 11.368 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.262 3.969 13.466 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.120 3.151 12.764 1.00 0.00 H new ATOM 616 N VAL A 67 2.490 1.733 11.636 1.00 0.00 N ATOM 617 CA VAL A 67 3.286 0.486 11.530 1.00 0.00 C ATOM 618 C VAL A 67 4.747 0.815 11.157 1.00 0.00 C ATOM 619 O VAL A 67 5.009 1.786 10.454 1.00 0.00 O ATOM 620 CB VAL A 67 2.649 -0.509 10.474 1.00 0.00 C ATOM 621 CG1 VAL A 67 1.295 -1.069 10.983 1.00 0.00 C ATOM 622 CG2 VAL A 67 2.474 0.167 9.088 1.00 0.00 C ATOM 0 H VAL A 67 2.600 2.354 10.834 1.00 0.00 H new ATOM 0 HA VAL A 67 3.277 -0.009 12.501 1.00 0.00 H new ATOM 0 HB VAL A 67 3.341 -1.342 10.354 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.880 -1.749 10.239 1.00 0.00 H new ATOM 0 HG12 VAL A 67 1.452 -1.606 11.918 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.600 -0.246 11.150 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.035 -0.545 8.389 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.818 1.032 9.185 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.446 0.489 8.715 1.00 0.00 H new ATOM 632 N SER A 68 5.699 0.008 11.645 1.00 0.00 N ATOM 633 CA SER A 68 7.141 0.190 11.354 1.00 0.00 C ATOM 634 C SER A 68 7.671 -0.965 10.483 1.00 0.00 C ATOM 635 O SER A 68 8.866 -1.026 10.177 1.00 0.00 O ATOM 636 CB SER A 68 7.921 0.293 12.683 1.00 0.00 C ATOM 637 OG SER A 68 7.428 1.359 13.483 1.00 0.00 O ATOM 0 H SER A 68 5.500 -0.788 12.251 1.00 0.00 H new ATOM 0 HA SER A 68 7.283 1.113 10.791 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.838 -0.646 13.231 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.980 0.449 12.476 1.00 0.00 H new ATOM 0 HG SER A 68 7.937 1.403 14.320 1.00 0.00 H new ATOM 643 N ASP A 69 6.755 -1.857 10.059 1.00 0.00 N ATOM 644 CA ASP A 69 7.085 -3.080 9.309 1.00 0.00 C ATOM 645 C ASP A 69 7.089 -2.797 7.798 1.00 0.00 C ATOM 646 O ASP A 69 6.233 -3.295 7.064 1.00 0.00 O ATOM 647 CB ASP A 69 6.055 -4.192 9.657 1.00 0.00 C ATOM 648 CG ASP A 69 6.071 -4.594 11.138 1.00 0.00 C ATOM 649 OD1 ASP A 69 5.636 -3.786 11.987 1.00 0.00 O ATOM 650 OD2 ASP A 69 6.508 -5.717 11.464 1.00 0.00 O ATOM 0 H ASP A 69 5.756 -1.746 10.230 1.00 0.00 H new ATOM 0 HA ASP A 69 8.082 -3.418 9.591 1.00 0.00 H new ATOM 0 HB2 ASP A 69 5.055 -3.847 9.392 1.00 0.00 H new ATOM 0 HB3 ASP A 69 6.261 -5.072 9.047 1.00 0.00 H new ATOM 655 N ALA A 70 8.080 -2.006 7.348 1.00 0.00 N ATOM 656 CA ALA A 70 8.207 -1.581 5.937 1.00 0.00 C ATOM 657 C ALA A 70 8.407 -2.790 5.005 1.00 0.00 C ATOM 658 O ALA A 70 7.825 -2.848 3.920 1.00 0.00 O ATOM 659 CB ALA A 70 9.363 -0.570 5.782 1.00 0.00 C ATOM 0 H ALA A 70 8.817 -1.642 7.951 1.00 0.00 H new ATOM 0 HA ALA A 70 7.278 -1.091 5.646 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.444 -0.267 4.738 1.00 0.00 H new ATOM 0 HB2 ALA A 70 9.166 0.306 6.400 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.297 -1.034 6.098 1.00 0.00 H new ATOM 665 N ALA A 71 9.208 -3.761 5.479 1.00 0.00 N ATOM 666 CA ALA A 71 9.518 -4.997 4.742 1.00 0.00 C ATOM 667 C ALA A 71 8.265 -5.888 4.584 1.00 0.00 C ATOM 668 O ALA A 71 8.020 -6.438 3.500 1.00 0.00 O ATOM 669 CB ALA A 71 10.658 -5.753 5.448 1.00 0.00 C ATOM 0 H ALA A 71 9.661 -3.709 6.391 1.00 0.00 H new ATOM 0 HA ALA A 71 9.847 -4.730 3.738 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.883 -6.667 4.899 1.00 0.00 H new ATOM 0 HB2 ALA A 71 11.546 -5.122 5.483 1.00 0.00 H new ATOM 0 HB3 ALA A 71 10.353 -6.006 6.463 1.00 0.00 H new ATOM 675 N HIS A 72 7.469 -6.006 5.675 1.00 0.00 N ATOM 676 CA HIS A 72 6.213 -6.793 5.671 1.00 0.00 C ATOM 677 C HIS A 72 5.198 -6.189 4.696 1.00 0.00 C ATOM 678 O HIS A 72 4.709 -6.892 3.815 1.00 0.00 O ATOM 679 CB HIS A 72 5.579 -6.907 7.091 1.00 0.00 C ATOM 680 CG HIS A 72 6.208 -7.953 7.983 1.00 0.00 C ATOM 681 ND1 HIS A 72 6.808 -7.666 9.192 1.00 0.00 N ATOM 682 CD2 HIS A 72 6.280 -9.298 7.847 1.00 0.00 C ATOM 683 CE1 HIS A 72 7.216 -8.785 9.756 1.00 0.00 C ATOM 684 NE2 HIS A 72 6.905 -9.792 8.964 1.00 0.00 N ATOM 0 H HIS A 72 7.676 -5.564 6.571 1.00 0.00 H new ATOM 0 HA HIS A 72 6.475 -7.799 5.344 1.00 0.00 H new ATOM 0 HB2 HIS A 72 5.651 -5.938 7.585 1.00 0.00 H new ATOM 0 HB3 HIS A 72 4.518 -7.132 6.983 1.00 0.00 H new ATOM 0 HD2 HIS A 72 5.913 -9.876 7.012 1.00 0.00 H new ATOM 0 HE1 HIS A 72 7.721 -8.864 10.708 1.00 0.00 H new ATOM 0 HE2 HIS A 72 7.097 -10.776 9.151 1.00 0.00 H new ATOM 693 N ILE A 73 4.927 -4.874 4.849 1.00 0.00 N ATOM 694 CA ILE A 73 3.911 -4.155 4.043 1.00 0.00 C ATOM 695 C ILE A 73 4.247 -4.248 2.544 1.00 0.00 C ATOM 696 O ILE A 73 3.361 -4.498 1.724 1.00 0.00 O ATOM 697 CB ILE A 73 3.780 -2.637 4.460 1.00 0.00 C ATOM 698 CG1 ILE A 73 3.409 -2.478 5.976 1.00 0.00 C ATOM 699 CG2 ILE A 73 2.758 -1.889 3.556 1.00 0.00 C ATOM 700 CD1 ILE A 73 2.061 -3.046 6.390 1.00 0.00 C ATOM 0 H ILE A 73 5.403 -4.282 5.530 1.00 0.00 H new ATOM 0 HA ILE A 73 2.954 -4.640 4.237 1.00 0.00 H new ATOM 0 HB ILE A 73 4.758 -2.180 4.313 1.00 0.00 H new ATOM 0 HG12 ILE A 73 4.184 -2.959 6.573 1.00 0.00 H new ATOM 0 HG13 ILE A 73 3.427 -1.417 6.226 1.00 0.00 H new ATOM 0 HG21 ILE A 73 2.691 -0.847 3.868 1.00 0.00 H new ATOM 0 HG22 ILE A 73 3.088 -1.936 2.518 1.00 0.00 H new ATOM 0 HG23 ILE A 73 1.779 -2.359 3.647 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.909 -2.881 7.457 1.00 0.00 H new ATOM 0 HD12 ILE A 73 1.269 -2.549 5.829 1.00 0.00 H new ATOM 0 HD13 ILE A 73 2.037 -4.116 6.181 1.00 0.00 H new ATOM 712 N ALA A 74 5.550 -4.079 2.226 1.00 0.00 N ATOM 713 CA ALA A 74 6.085 -4.154 0.849 1.00 0.00 C ATOM 714 C ALA A 74 5.780 -5.519 0.201 1.00 0.00 C ATOM 715 O ALA A 74 5.394 -5.588 -0.972 1.00 0.00 O ATOM 716 CB ALA A 74 7.601 -3.885 0.854 1.00 0.00 C ATOM 0 H ALA A 74 6.266 -3.885 2.926 1.00 0.00 H new ATOM 0 HA ALA A 74 5.591 -3.387 0.252 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.984 -3.943 -0.165 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.793 -2.891 1.258 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.101 -4.631 1.472 1.00 0.00 H new ATOM 722 N GLU A 75 5.942 -6.593 0.998 1.00 0.00 N ATOM 723 CA GLU A 75 5.660 -7.972 0.562 1.00 0.00 C ATOM 724 C GLU A 75 4.158 -8.228 0.378 1.00 0.00 C ATOM 725 O GLU A 75 3.782 -8.994 -0.503 1.00 0.00 O ATOM 726 CB GLU A 75 6.271 -9.000 1.551 1.00 0.00 C ATOM 727 CG GLU A 75 7.805 -9.100 1.481 1.00 0.00 C ATOM 728 CD GLU A 75 8.310 -9.478 0.074 1.00 0.00 C ATOM 729 OE1 GLU A 75 8.032 -10.610 -0.376 1.00 0.00 O ATOM 730 OE2 GLU A 75 8.972 -8.648 -0.591 1.00 0.00 O ATOM 0 H GLU A 75 6.272 -6.528 1.961 1.00 0.00 H new ATOM 0 HA GLU A 75 6.132 -8.100 -0.412 1.00 0.00 H new ATOM 0 HB2 GLU A 75 5.981 -8.729 2.566 1.00 0.00 H new ATOM 0 HB3 GLU A 75 5.843 -9.982 1.349 1.00 0.00 H new ATOM 0 HG2 GLU A 75 8.242 -8.146 1.776 1.00 0.00 H new ATOM 0 HG3 GLU A 75 8.150 -9.844 2.199 1.00 0.00 H new ATOM 737 N ILE A 76 3.316 -7.588 1.206 1.00 0.00 N ATOM 738 CA ILE A 76 1.843 -7.763 1.144 1.00 0.00 C ATOM 739 C ILE A 76 1.282 -7.159 -0.153 1.00 0.00 C ATOM 740 O ILE A 76 0.555 -7.823 -0.904 1.00 0.00 O ATOM 741 CB ILE A 76 1.130 -7.105 2.386 1.00 0.00 C ATOM 742 CG1 ILE A 76 1.664 -7.711 3.719 1.00 0.00 C ATOM 743 CG2 ILE A 76 -0.416 -7.249 2.296 1.00 0.00 C ATOM 744 CD1 ILE A 76 1.225 -6.965 4.965 1.00 0.00 C ATOM 0 H ILE A 76 3.625 -6.941 1.931 1.00 0.00 H new ATOM 0 HA ILE A 76 1.641 -8.834 1.160 1.00 0.00 H new ATOM 0 HB ILE A 76 1.366 -6.041 2.375 1.00 0.00 H new ATOM 0 HG12 ILE A 76 1.330 -8.746 3.793 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.753 -7.729 3.685 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -0.876 -6.785 3.168 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -0.775 -6.758 1.392 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.682 -8.306 2.265 1.00 0.00 H new ATOM 0 HD11 ILE A 76 1.641 -7.453 5.847 1.00 0.00 H new ATOM 0 HD12 ILE A 76 1.582 -5.936 4.918 1.00 0.00 H new ATOM 0 HD13 ILE A 76 0.137 -6.969 5.027 1.00 0.00 H new ATOM 756 N ILE A 77 1.656 -5.898 -0.402 1.00 0.00 N ATOM 757 CA ILE A 77 1.149 -5.106 -1.532 1.00 0.00 C ATOM 758 C ILE A 77 1.675 -5.647 -2.883 1.00 0.00 C ATOM 759 O ILE A 77 0.966 -5.591 -3.896 1.00 0.00 O ATOM 760 CB ILE A 77 1.484 -3.577 -1.324 1.00 0.00 C ATOM 761 CG1 ILE A 77 0.849 -2.671 -2.428 1.00 0.00 C ATOM 762 CG2 ILE A 77 3.006 -3.328 -1.214 1.00 0.00 C ATOM 763 CD1 ILE A 77 1.046 -1.178 -2.192 1.00 0.00 C ATOM 0 H ILE A 77 2.325 -5.393 0.180 1.00 0.00 H new ATOM 0 HA ILE A 77 0.064 -5.203 -1.565 1.00 0.00 H new ATOM 0 HB ILE A 77 1.031 -3.295 -0.374 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.280 -2.936 -3.394 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.219 -2.882 -2.487 1.00 0.00 H new ATOM 0 HG21 ILE A 77 3.191 -2.263 -1.072 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.405 -3.882 -0.365 1.00 0.00 H new ATOM 0 HG23 ILE A 77 3.496 -3.663 -2.128 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.577 -0.617 -3.000 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.590 -0.896 -1.243 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.112 -0.952 -2.164 1.00 0.00 H new ATOM 775 N THR A 78 2.910 -6.204 -2.894 1.00 0.00 N ATOM 776 CA THR A 78 3.470 -6.842 -4.103 1.00 0.00 C ATOM 777 C THR A 78 2.849 -8.237 -4.333 1.00 0.00 C ATOM 778 O THR A 78 2.679 -8.661 -5.479 1.00 0.00 O ATOM 779 CB THR A 78 5.041 -6.917 -4.099 1.00 0.00 C ATOM 780 OG1 THR A 78 5.508 -7.132 -5.439 1.00 0.00 O ATOM 781 CG2 THR A 78 5.610 -8.026 -3.193 1.00 0.00 C ATOM 0 H THR A 78 3.531 -6.223 -2.085 1.00 0.00 H new ATOM 0 HA THR A 78 3.199 -6.196 -4.939 1.00 0.00 H new ATOM 0 HB THR A 78 5.393 -5.967 -3.696 1.00 0.00 H new ATOM 0 HG1 THR A 78 4.873 -6.738 -6.074 1.00 0.00 H new ATOM 0 HG21 THR A 78 6.699 -8.014 -3.244 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.293 -7.854 -2.164 1.00 0.00 H new ATOM 0 HG23 THR A 78 5.242 -8.995 -3.529 1.00 0.00 H new ATOM 789 N ALA A 79 2.484 -8.931 -3.226 1.00 0.00 N ATOM 790 CA ALA A 79 1.805 -10.247 -3.273 1.00 0.00 C ATOM 791 C ALA A 79 0.353 -10.098 -3.754 1.00 0.00 C ATOM 792 O ALA A 79 -0.285 -11.082 -4.137 1.00 0.00 O ATOM 793 CB ALA A 79 1.848 -10.933 -1.898 1.00 0.00 C ATOM 0 H ALA A 79 2.652 -8.593 -2.278 1.00 0.00 H new ATOM 0 HA ALA A 79 2.339 -10.874 -3.987 1.00 0.00 H new ATOM 0 HB1 ALA A 79 1.344 -11.897 -1.957 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.885 -11.084 -1.599 1.00 0.00 H new ATOM 0 HB3 ALA A 79 1.346 -10.305 -1.162 1.00 0.00 H new ATOM 799 N ALA A 80 -0.155 -8.849 -3.720 1.00 0.00 N ATOM 800 CA ALA A 80 -1.467 -8.486 -4.272 1.00 0.00 C ATOM 801 C ALA A 80 -1.404 -8.287 -5.813 1.00 0.00 C ATOM 802 O ALA A 80 -2.387 -7.875 -6.428 1.00 0.00 O ATOM 803 CB ALA A 80 -1.982 -7.219 -3.563 1.00 0.00 C ATOM 0 H ALA A 80 0.342 -8.061 -3.304 1.00 0.00 H new ATOM 0 HA ALA A 80 -2.164 -9.304 -4.092 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -2.956 -6.945 -3.969 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -2.076 -7.413 -2.494 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -1.279 -6.401 -3.723 1.00 0.00 H new ATOM 809 N GLY A 81 -0.231 -8.575 -6.422 1.00 0.00 N ATOM 810 CA GLY A 81 -0.045 -8.509 -7.878 1.00 0.00 C ATOM 811 C GLY A 81 0.462 -7.155 -8.356 1.00 0.00 C ATOM 812 O GLY A 81 0.665 -6.958 -9.559 1.00 0.00 O ATOM 0 H GLY A 81 0.607 -8.858 -5.914 1.00 0.00 H new ATOM 0 HA2 GLY A 81 0.660 -9.282 -8.183 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -0.993 -8.729 -8.369 1.00 0.00 H new ATOM 816 N TYR A 82 0.653 -6.217 -7.411 1.00 0.00 N ATOM 817 CA TYR A 82 1.152 -4.861 -7.703 1.00 0.00 C ATOM 818 C TYR A 82 2.691 -4.846 -7.722 1.00 0.00 C ATOM 819 O TYR A 82 3.332 -5.792 -7.248 1.00 0.00 O ATOM 820 CB TYR A 82 0.601 -3.866 -6.659 1.00 0.00 C ATOM 821 CG TYR A 82 -0.928 -3.702 -6.718 1.00 0.00 C ATOM 822 CD1 TYR A 82 -1.531 -2.872 -7.672 1.00 0.00 C ATOM 823 CD2 TYR A 82 -1.770 -4.388 -5.837 1.00 0.00 C ATOM 824 CE1 TYR A 82 -2.903 -2.736 -7.739 1.00 0.00 C ATOM 825 CE2 TYR A 82 -3.143 -4.254 -5.903 1.00 0.00 C ATOM 826 CZ TYR A 82 -3.705 -3.428 -6.852 1.00 0.00 C ATOM 827 OH TYR A 82 -5.072 -3.292 -6.913 1.00 0.00 O ATOM 0 H TYR A 82 0.465 -6.378 -6.421 1.00 0.00 H new ATOM 0 HA TYR A 82 0.803 -4.557 -8.690 1.00 0.00 H new ATOM 0 HB2 TYR A 82 0.885 -4.203 -5.662 1.00 0.00 H new ATOM 0 HB3 TYR A 82 1.069 -2.894 -6.812 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -0.910 -2.328 -8.369 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -1.337 -5.036 -5.089 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -3.348 -2.091 -8.482 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -3.774 -4.795 -5.213 1.00 0.00 H new ATOM 0 HH TYR A 82 -5.334 -2.439 -6.509 1.00 0.00 H new ATOM 837 N THR A 83 3.278 -3.760 -8.264 1.00 0.00 N ATOM 838 CA THR A 83 4.742 -3.628 -8.427 1.00 0.00 C ATOM 839 C THR A 83 5.288 -2.357 -7.707 1.00 0.00 C ATOM 840 O THR A 83 5.462 -1.310 -8.338 1.00 0.00 O ATOM 841 CB THR A 83 5.120 -3.617 -9.955 1.00 0.00 C ATOM 842 OG1 THR A 83 4.334 -2.630 -10.647 1.00 0.00 O ATOM 843 CG2 THR A 83 4.901 -4.992 -10.618 1.00 0.00 C ATOM 0 H THR A 83 2.754 -2.952 -8.600 1.00 0.00 H new ATOM 0 HA THR A 83 5.213 -4.491 -7.957 1.00 0.00 H new ATOM 0 HB THR A 83 6.180 -3.374 -10.023 1.00 0.00 H new ATOM 0 HG1 THR A 83 4.456 -2.734 -11.614 1.00 0.00 H new ATOM 0 HG21 THR A 83 5.175 -4.936 -11.671 1.00 0.00 H new ATOM 0 HG22 THR A 83 5.521 -5.738 -10.121 1.00 0.00 H new ATOM 0 HG23 THR A 83 3.852 -5.275 -10.531 1.00 0.00 H new ATOM 851 N PRO A 84 5.516 -2.413 -6.353 1.00 0.00 N ATOM 852 CA PRO A 84 6.232 -1.350 -5.614 1.00 0.00 C ATOM 853 C PRO A 84 7.761 -1.580 -5.596 1.00 0.00 C ATOM 854 O PRO A 84 8.243 -2.644 -6.013 1.00 0.00 O ATOM 855 CB PRO A 84 5.625 -1.476 -4.201 1.00 0.00 C ATOM 856 CG PRO A 84 5.415 -2.953 -4.039 1.00 0.00 C ATOM 857 CD PRO A 84 5.062 -3.486 -5.423 1.00 0.00 C ATOM 0 HA PRO A 84 6.116 -0.362 -6.059 1.00 0.00 H new ATOM 0 HB2 PRO A 84 6.297 -1.080 -3.439 1.00 0.00 H new ATOM 0 HB3 PRO A 84 4.688 -0.926 -4.116 1.00 0.00 H new ATOM 0 HG2 PRO A 84 6.314 -3.434 -3.654 1.00 0.00 H new ATOM 0 HG3 PRO A 84 4.615 -3.157 -3.327 1.00 0.00 H new ATOM 0 HD2 PRO A 84 5.567 -4.430 -5.627 1.00 0.00 H new ATOM 0 HD3 PRO A 84 3.992 -3.670 -5.518 1.00 0.00 H new ATOM 865 N GLU A 85 8.514 -0.590 -5.097 1.00 0.00 N ATOM 866 CA GLU A 85 9.977 -0.696 -4.945 1.00 0.00 C ATOM 867 C GLU A 85 10.427 0.215 -3.782 1.00 0.00 C ATOM 868 O GLU A 85 10.648 -0.293 -2.666 1.00 0.00 O ATOM 869 CB GLU A 85 10.697 -0.324 -6.273 1.00 0.00 C ATOM 870 CG GLU A 85 12.225 -0.533 -6.245 1.00 0.00 C ATOM 871 CD GLU A 85 12.913 -0.078 -7.539 1.00 0.00 C ATOM 872 OE1 GLU A 85 13.264 1.115 -7.644 1.00 0.00 O ATOM 873 OE2 GLU A 85 13.086 -0.901 -8.464 1.00 0.00 O ATOM 874 OXT GLU A 85 10.469 1.452 -3.969 1.00 0.00 O ATOM 0 H GLU A 85 8.131 0.304 -4.788 1.00 0.00 H new ATOM 0 HA GLU A 85 10.249 -1.726 -4.712 1.00 0.00 H new ATOM 0 HB2 GLU A 85 10.275 -0.921 -7.081 1.00 0.00 H new ATOM 0 HB3 GLU A 85 10.489 0.720 -6.506 1.00 0.00 H new ATOM 0 HG2 GLU A 85 12.646 0.016 -5.403 1.00 0.00 H new ATOM 0 HG3 GLU A 85 12.439 -1.588 -6.077 1.00 0.00 H new