USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 576 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 Single : A 4 MET CE :methyl -141:sc= -0.114 (180deg=-0.607) USER MOD Single : A 8 MET CE :methyl -107:sc= -2.06 (180deg=-4.12!) USER MOD Single : A 9 LYS NZ :NH3+ 179:sc= 1.13 (180deg=1.06) USER MOD Single : A 11 THR OG1 : rot 27:sc= 0.716 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 137:sc= 1.27 (180deg=0.943) USER MOD Single : A 23 SER OG : rot 180:sc= -0.0762 USER MOD Single : A 30 LYS NZ :NH3+ 169:sc=-0.00353 (180deg=-0.111) USER MOD Single : A 42 THR OG1 : rot -38:sc= 0.677 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 160:sc= 2.13 (180deg=1.81) USER MOD Single : A 48 ASN : amide:sc= 1.28 K(o=1.3,f=-0.035) USER MOD Single : A 50 GLN : amide:sc= -0.0749 X(o=-0.075,f=-0.046) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 4 15.077 19.458 3.349 1.00 0.00 N ATOM 2 CA MET A 4 13.692 18.949 3.452 1.00 0.00 C ATOM 3 C MET A 4 13.643 17.489 3.036 1.00 0.00 C ATOM 4 O MET A 4 14.075 17.138 1.939 1.00 0.00 O ATOM 5 CB MET A 4 12.759 19.770 2.558 1.00 0.00 C ATOM 6 CG MET A 4 11.307 19.321 2.607 1.00 0.00 C ATOM 7 SD MET A 4 10.246 20.273 1.501 1.00 0.00 S ATOM 8 CE MET A 4 10.449 21.927 2.165 1.00 0.00 C ATOM 0 HA MET A 4 13.363 19.039 4.487 1.00 0.00 H new ATOM 0 HB2 MET A 4 12.816 20.817 2.855 1.00 0.00 H new ATOM 0 HB3 MET A 4 13.113 19.711 1.529 1.00 0.00 H new ATOM 0 HG2 MET A 4 11.248 18.266 2.341 1.00 0.00 H new ATOM 0 HG3 MET A 4 10.937 19.414 3.628 1.00 0.00 H new ATOM 0 HE1 MET A 4 9.493 22.449 2.139 1.00 0.00 H new ATOM 0 HE2 MET A 4 10.801 21.865 3.195 1.00 0.00 H new ATOM 0 HE3 MET A 4 11.177 22.473 1.565 1.00 0.00 H new ATOM 20 N VAL A 5 13.125 16.638 3.912 1.00 0.00 N ATOM 21 CA VAL A 5 12.994 15.225 3.605 1.00 0.00 C ATOM 22 C VAL A 5 11.720 14.970 2.799 1.00 0.00 C ATOM 23 O VAL A 5 10.602 15.090 3.304 1.00 0.00 O ATOM 24 CB VAL A 5 13.019 14.351 4.888 1.00 0.00 C ATOM 25 CG1 VAL A 5 11.986 14.821 5.905 1.00 0.00 C ATOM 26 CG2 VAL A 5 12.810 12.881 4.547 1.00 0.00 C ATOM 0 H VAL A 5 12.790 16.903 4.838 1.00 0.00 H new ATOM 0 HA VAL A 5 13.854 14.937 3.001 1.00 0.00 H new ATOM 0 HB VAL A 5 14.004 14.462 5.342 1.00 0.00 H new ATOM 0 HG11 VAL A 5 12.032 14.186 6.790 1.00 0.00 H new ATOM 0 HG12 VAL A 5 12.196 15.853 6.187 1.00 0.00 H new ATOM 0 HG13 VAL A 5 10.990 14.760 5.466 1.00 0.00 H new ATOM 0 HG21 VAL A 5 12.832 12.289 5.462 1.00 0.00 H new ATOM 0 HG22 VAL A 5 11.845 12.755 4.056 1.00 0.00 H new ATOM 0 HG23 VAL A 5 13.604 12.546 3.879 1.00 0.00 H new ATOM 36 N ILE A 6 11.901 14.663 1.526 1.00 0.00 N ATOM 37 CA ILE A 6 10.784 14.392 0.644 1.00 0.00 C ATOM 38 C ILE A 6 10.739 12.908 0.303 1.00 0.00 C ATOM 39 O ILE A 6 11.712 12.346 -0.204 1.00 0.00 O ATOM 40 CB ILE A 6 10.880 15.222 -0.656 1.00 0.00 C ATOM 41 CG1 ILE A 6 11.055 16.710 -0.328 1.00 0.00 C ATOM 42 CG2 ILE A 6 9.639 15.014 -1.516 1.00 0.00 C ATOM 43 CD1 ILE A 6 11.268 17.584 -1.546 1.00 0.00 C ATOM 0 H ILE A 6 12.816 14.596 1.081 1.00 0.00 H new ATOM 0 HA ILE A 6 9.869 14.677 1.164 1.00 0.00 H new ATOM 0 HB ILE A 6 11.751 14.883 -1.217 1.00 0.00 H new ATOM 0 HG12 ILE A 6 10.173 17.060 0.209 1.00 0.00 H new ATOM 0 HG13 ILE A 6 11.905 16.827 0.344 1.00 0.00 H new ATOM 0 HG21 ILE A 6 9.724 15.606 -2.427 1.00 0.00 H new ATOM 0 HG22 ILE A 6 9.549 13.959 -1.776 1.00 0.00 H new ATOM 0 HG23 ILE A 6 8.755 15.328 -0.961 1.00 0.00 H new ATOM 0 HD11 ILE A 6 11.383 18.622 -1.233 1.00 0.00 H new ATOM 0 HD12 ILE A 6 12.166 17.262 -2.073 1.00 0.00 H new ATOM 0 HD13 ILE A 6 10.408 17.499 -2.210 1.00 0.00 H new ATOM 55 N GLY A 7 9.617 12.275 0.601 1.00 0.00 N ATOM 56 CA GLY A 7 9.484 10.862 0.349 1.00 0.00 C ATOM 57 C GLY A 7 9.218 10.085 1.619 1.00 0.00 C ATOM 58 O GLY A 7 9.382 10.611 2.720 1.00 0.00 O ATOM 0 H GLY A 7 8.796 12.717 1.014 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.670 10.694 -0.356 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.395 10.490 -0.120 1.00 0.00 H new ATOM 62 N MET A 8 8.807 8.835 1.473 1.00 0.00 N ATOM 63 CA MET A 8 8.454 8.010 2.618 1.00 0.00 C ATOM 64 C MET A 8 9.024 6.612 2.454 1.00 0.00 C ATOM 65 O MET A 8 9.001 6.055 1.354 1.00 0.00 O ATOM 66 CB MET A 8 6.930 7.891 2.776 1.00 0.00 C ATOM 67 CG MET A 8 6.152 9.179 2.536 1.00 0.00 C ATOM 68 SD MET A 8 5.929 9.552 0.781 1.00 0.00 S ATOM 69 CE MET A 8 5.136 8.050 0.210 1.00 0.00 C ATOM 0 H MET A 8 8.710 8.369 0.571 1.00 0.00 H new ATOM 0 HA MET A 8 8.871 8.491 3.503 1.00 0.00 H new ATOM 0 HB2 MET A 8 6.567 7.131 2.084 1.00 0.00 H new ATOM 0 HB3 MET A 8 6.712 7.535 3.783 1.00 0.00 H new ATOM 0 HG2 MET A 8 5.175 9.101 3.012 1.00 0.00 H new ATOM 0 HG3 MET A 8 6.675 10.007 3.014 1.00 0.00 H new ATOM 0 HE1 MET A 8 5.843 7.466 -0.379 1.00 0.00 H new ATOM 0 HE2 MET A 8 4.807 7.463 1.068 1.00 0.00 H new ATOM 0 HE3 MET A 8 4.274 8.305 -0.407 1.00 0.00 H new ATOM 79 N LYS A 9 9.534 6.057 3.543 1.00 0.00 N ATOM 80 CA LYS A 9 9.957 4.669 3.573 1.00 0.00 C ATOM 81 C LYS A 9 8.880 3.844 4.256 1.00 0.00 C ATOM 82 O LYS A 9 8.579 4.055 5.429 1.00 0.00 O ATOM 83 CB LYS A 9 11.279 4.505 4.326 1.00 0.00 C ATOM 84 CG LYS A 9 11.818 3.084 4.283 1.00 0.00 C ATOM 85 CD LYS A 9 12.787 2.805 5.422 1.00 0.00 C ATOM 86 CE LYS A 9 14.047 3.650 5.330 1.00 0.00 C ATOM 87 NZ LYS A 9 14.946 3.219 4.227 1.00 0.00 N ATOM 0 H LYS A 9 9.665 6.554 4.424 1.00 0.00 H new ATOM 0 HA LYS A 9 10.109 4.329 2.549 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.020 5.181 3.899 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.138 4.802 5.365 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.987 2.380 4.334 1.00 0.00 H new ATOM 0 HG3 LYS A 9 12.321 2.916 3.331 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.291 2.999 6.373 1.00 0.00 H new ATOM 0 HD3 LYS A 9 13.059 1.750 5.414 1.00 0.00 H new ATOM 0 HE2 LYS A 9 13.770 4.694 5.181 1.00 0.00 H new ATOM 0 HE3 LYS A 9 14.586 3.595 6.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 15.781 3.838 4.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 15.248 2.237 4.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 14.438 3.280 3.321 1.00 0.00 H new ATOM 101 N PHE A 10 8.284 2.927 3.524 1.00 0.00 N ATOM 102 CA PHE A 10 7.230 2.101 4.080 1.00 0.00 C ATOM 103 C PHE A 10 7.411 0.655 3.657 1.00 0.00 C ATOM 104 O PHE A 10 8.189 0.353 2.750 1.00 0.00 O ATOM 105 CB PHE A 10 5.850 2.629 3.662 1.00 0.00 C ATOM 106 CG PHE A 10 5.648 2.752 2.177 1.00 0.00 C ATOM 107 CD1 PHE A 10 6.076 3.882 1.497 1.00 0.00 C ATOM 108 CD2 PHE A 10 5.014 1.746 1.464 1.00 0.00 C ATOM 109 CE1 PHE A 10 5.881 4.003 0.135 1.00 0.00 C ATOM 110 CE2 PHE A 10 4.815 1.862 0.103 1.00 0.00 C ATOM 111 CZ PHE A 10 5.248 2.993 -0.563 1.00 0.00 C ATOM 0 H PHE A 10 8.509 2.734 2.548 1.00 0.00 H new ATOM 0 HA PHE A 10 7.291 2.147 5.167 1.00 0.00 H new ATOM 0 HB2 PHE A 10 5.085 1.966 4.065 1.00 0.00 H new ATOM 0 HB3 PHE A 10 5.697 3.607 4.118 1.00 0.00 H new ATOM 0 HD1 PHE A 10 6.568 4.677 2.039 1.00 0.00 H new ATOM 0 HD2 PHE A 10 4.672 0.861 1.980 1.00 0.00 H new ATOM 0 HE1 PHE A 10 6.223 4.886 -0.384 1.00 0.00 H new ATOM 0 HE2 PHE A 10 4.322 1.070 -0.441 1.00 0.00 H new ATOM 0 HZ PHE A 10 5.092 3.087 -1.627 1.00 0.00 H new ATOM 121 N THR A 11 6.710 -0.244 4.319 1.00 0.00 N ATOM 122 CA THR A 11 6.812 -1.646 3.992 1.00 0.00 C ATOM 123 C THR A 11 5.455 -2.203 3.600 1.00 0.00 C ATOM 124 O THR A 11 4.433 -1.882 4.206 1.00 0.00 O ATOM 125 CB THR A 11 7.425 -2.471 5.149 1.00 0.00 C ATOM 126 OG1 THR A 11 7.623 -3.830 4.738 1.00 0.00 O ATOM 127 CG2 THR A 11 6.550 -2.436 6.391 1.00 0.00 C ATOM 0 H THR A 11 6.068 -0.027 5.082 1.00 0.00 H new ATOM 0 HA THR A 11 7.488 -1.731 3.141 1.00 0.00 H new ATOM 0 HB THR A 11 8.385 -2.020 5.399 1.00 0.00 H new ATOM 0 HG1 THR A 11 7.749 -3.863 3.767 1.00 0.00 H new ATOM 0 HG21 THR A 11 7.015 -3.027 7.180 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.437 -1.405 6.728 1.00 0.00 H new ATOM 0 HG23 THR A 11 5.569 -2.851 6.157 1.00 0.00 H new ATOM 135 N VAL A 12 5.448 -3.006 2.556 1.00 0.00 N ATOM 136 CA VAL A 12 4.241 -3.662 2.112 1.00 0.00 C ATOM 137 C VAL A 12 4.394 -5.167 2.279 1.00 0.00 C ATOM 138 O VAL A 12 5.448 -5.729 1.975 1.00 0.00 O ATOM 139 CB VAL A 12 3.914 -3.310 0.639 1.00 0.00 C ATOM 140 CG1 VAL A 12 5.057 -3.703 -0.288 1.00 0.00 C ATOM 141 CG2 VAL A 12 2.616 -3.970 0.202 1.00 0.00 C ATOM 0 H VAL A 12 6.274 -3.220 1.997 1.00 0.00 H new ATOM 0 HA VAL A 12 3.410 -3.310 2.723 1.00 0.00 H new ATOM 0 HB VAL A 12 3.787 -2.229 0.575 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.798 -3.444 -1.315 1.00 0.00 H new ATOM 0 HG12 VAL A 12 5.962 -3.170 0.004 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.230 -4.777 -0.218 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.406 -3.709 -0.835 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.710 -5.052 0.292 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.800 -3.623 0.836 1.00 0.00 H new ATOM 151 N ILE A 13 3.370 -5.810 2.809 1.00 0.00 N ATOM 152 CA ILE A 13 3.391 -7.250 2.961 1.00 0.00 C ATOM 153 C ILE A 13 2.406 -7.873 1.979 1.00 0.00 C ATOM 154 O ILE A 13 1.228 -7.522 1.943 1.00 0.00 O ATOM 155 CB ILE A 13 3.101 -7.675 4.433 1.00 0.00 C ATOM 156 CG1 ILE A 13 3.335 -9.181 4.657 1.00 0.00 C ATOM 157 CG2 ILE A 13 1.695 -7.283 4.858 1.00 0.00 C ATOM 158 CD1 ILE A 13 2.211 -10.084 4.184 1.00 0.00 C ATOM 0 H ILE A 13 2.517 -5.359 3.140 1.00 0.00 H new ATOM 0 HA ILE A 13 4.390 -7.619 2.731 1.00 0.00 H new ATOM 0 HB ILE A 13 3.810 -7.135 5.060 1.00 0.00 H new ATOM 0 HG12 ILE A 13 4.253 -9.470 4.145 1.00 0.00 H new ATOM 0 HG13 ILE A 13 3.496 -9.354 5.721 1.00 0.00 H new ATOM 0 HG21 ILE A 13 1.526 -7.594 5.889 1.00 0.00 H new ATOM 0 HG22 ILE A 13 1.580 -6.202 4.782 1.00 0.00 H new ATOM 0 HG23 ILE A 13 0.969 -7.772 4.208 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.470 -11.123 4.385 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.293 -9.830 4.713 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.062 -9.948 3.113 1.00 0.00 H new ATOM 170 N THR A 14 2.923 -8.748 1.138 1.00 0.00 N ATOM 171 CA THR A 14 2.115 -9.446 0.156 1.00 0.00 C ATOM 172 C THR A 14 2.457 -10.933 0.195 1.00 0.00 C ATOM 173 O THR A 14 3.100 -11.393 1.135 1.00 0.00 O ATOM 174 CB THR A 14 2.373 -8.883 -1.258 1.00 0.00 C ATOM 175 OG1 THR A 14 2.935 -7.568 -1.161 1.00 0.00 O ATOM 176 CG2 THR A 14 1.080 -8.815 -2.060 1.00 0.00 C ATOM 0 H THR A 14 3.912 -8.995 1.116 1.00 0.00 H new ATOM 0 HA THR A 14 1.061 -9.303 0.393 1.00 0.00 H new ATOM 0 HB THR A 14 3.069 -9.549 -1.768 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.099 -7.215 -2.060 1.00 0.00 H new ATOM 0 HG21 THR A 14 1.288 -8.415 -3.052 1.00 0.00 H new ATOM 0 HG22 THR A 14 0.657 -9.815 -2.153 1.00 0.00 H new ATOM 0 HG23 THR A 14 0.369 -8.166 -1.549 1.00 0.00 H new ATOM 184 N ASP A 15 2.051 -11.679 -0.825 1.00 0.00 N ATOM 185 CA ASP A 15 2.376 -13.101 -0.906 1.00 0.00 C ATOM 186 C ASP A 15 3.860 -13.287 -1.205 1.00 0.00 C ATOM 187 O ASP A 15 4.401 -14.384 -1.077 1.00 0.00 O ATOM 188 CB ASP A 15 1.535 -13.783 -1.987 1.00 0.00 C ATOM 189 CG ASP A 15 1.793 -13.208 -3.362 1.00 0.00 C ATOM 190 OD1 ASP A 15 1.409 -12.046 -3.606 1.00 0.00 O ATOM 191 OD2 ASP A 15 2.386 -13.912 -4.205 1.00 0.00 O ATOM 0 H ASP A 15 1.498 -11.326 -1.606 1.00 0.00 H new ATOM 0 HA ASP A 15 2.148 -13.561 0.055 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.754 -14.851 -1.995 1.00 0.00 H new ATOM 0 HB3 ASP A 15 0.478 -13.676 -1.743 1.00 0.00 H new ATOM 196 N ASP A 16 4.508 -12.200 -1.607 1.00 0.00 N ATOM 197 CA ASP A 16 5.950 -12.184 -1.840 1.00 0.00 C ATOM 198 C ASP A 16 6.689 -11.936 -0.524 1.00 0.00 C ATOM 199 O ASP A 16 7.912 -12.079 -0.434 1.00 0.00 O ATOM 200 CB ASP A 16 6.288 -11.091 -2.861 1.00 0.00 C ATOM 201 CG ASP A 16 7.760 -11.024 -3.213 1.00 0.00 C ATOM 202 OD1 ASP A 16 8.350 -12.073 -3.543 1.00 0.00 O ATOM 203 OD2 ASP A 16 8.333 -9.911 -3.183 1.00 0.00 O ATOM 0 H ASP A 16 4.051 -11.305 -1.781 1.00 0.00 H new ATOM 0 HA ASP A 16 6.267 -13.149 -2.235 1.00 0.00 H new ATOM 0 HB2 ASP A 16 5.713 -11.265 -3.771 1.00 0.00 H new ATOM 0 HB3 ASP A 16 5.973 -10.126 -2.465 1.00 0.00 H new ATOM 208 N GLY A 17 5.926 -11.587 0.503 1.00 0.00 N ATOM 209 CA GLY A 17 6.498 -11.302 1.802 1.00 0.00 C ATOM 210 C GLY A 17 6.365 -9.842 2.171 1.00 0.00 C ATOM 211 O GLY A 17 5.782 -9.058 1.418 1.00 0.00 O ATOM 0 H GLY A 17 4.911 -11.496 0.457 1.00 0.00 H new ATOM 0 HA2 GLY A 17 6.005 -11.913 2.558 1.00 0.00 H new ATOM 0 HA3 GLY A 17 7.551 -11.582 1.804 1.00 0.00 H new ATOM 215 N LYS A 18 6.883 -9.476 3.331 1.00 0.00 N ATOM 216 CA LYS A 18 6.895 -8.088 3.759 1.00 0.00 C ATOM 217 C LYS A 18 8.211 -7.442 3.338 1.00 0.00 C ATOM 218 O LYS A 18 9.281 -7.830 3.806 1.00 0.00 O ATOM 219 CB LYS A 18 6.701 -8.003 5.277 1.00 0.00 C ATOM 220 CG LYS A 18 6.622 -6.581 5.810 1.00 0.00 C ATOM 221 CD LYS A 18 6.301 -6.551 7.299 1.00 0.00 C ATOM 222 CE LYS A 18 4.868 -6.980 7.574 1.00 0.00 C ATOM 223 NZ LYS A 18 4.567 -7.036 9.029 1.00 0.00 N ATOM 0 H LYS A 18 7.303 -10.125 3.996 1.00 0.00 H new ATOM 0 HA LYS A 18 6.074 -7.550 3.285 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.787 -8.533 5.547 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.526 -8.519 5.768 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.570 -6.073 5.632 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.858 -6.030 5.262 1.00 0.00 H new ATOM 0 HD2 LYS A 18 6.987 -7.209 7.832 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.460 -5.544 7.685 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.183 -6.284 7.090 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.693 -7.960 7.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.580 -7.333 9.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.202 -7.719 9.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.708 -6.095 9.449 1.00 0.00 H new ATOM 237 N LYS A 19 8.130 -6.471 2.442 1.00 0.00 N ATOM 238 CA LYS A 19 9.321 -5.908 1.822 1.00 0.00 C ATOM 239 C LYS A 19 9.343 -4.383 1.964 1.00 0.00 C ATOM 240 O LYS A 19 8.291 -3.742 2.024 1.00 0.00 O ATOM 241 CB LYS A 19 9.358 -6.335 0.350 1.00 0.00 C ATOM 242 CG LYS A 19 10.655 -6.017 -0.372 1.00 0.00 C ATOM 243 CD LYS A 19 10.768 -6.822 -1.659 1.00 0.00 C ATOM 244 CE LYS A 19 10.925 -8.310 -1.369 1.00 0.00 C ATOM 245 NZ LYS A 19 10.854 -9.141 -2.601 1.00 0.00 N ATOM 0 H LYS A 19 7.253 -6.056 2.127 1.00 0.00 H new ATOM 0 HA LYS A 19 10.211 -6.285 2.326 1.00 0.00 H new ATOM 0 HB2 LYS A 19 9.181 -7.409 0.293 1.00 0.00 H new ATOM 0 HB3 LYS A 19 8.537 -5.848 -0.176 1.00 0.00 H new ATOM 0 HG2 LYS A 19 10.699 -4.952 -0.599 1.00 0.00 H new ATOM 0 HG3 LYS A 19 11.502 -6.239 0.277 1.00 0.00 H new ATOM 0 HD2 LYS A 19 9.881 -6.660 -2.271 1.00 0.00 H new ATOM 0 HD3 LYS A 19 11.622 -6.470 -2.237 1.00 0.00 H new ATOM 0 HE2 LYS A 19 11.881 -8.481 -0.874 1.00 0.00 H new ATOM 0 HE3 LYS A 19 10.145 -8.626 -0.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 11.594 -9.872 -2.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.920 -9.596 -2.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 10.998 -8.537 -3.436 1.00 0.00 H new ATOM 259 N ILE A 20 10.544 -3.817 2.046 1.00 0.00 N ATOM 260 CA ILE A 20 10.720 -2.376 2.216 1.00 0.00 C ATOM 261 C ILE A 20 10.922 -1.691 0.867 1.00 0.00 C ATOM 262 O ILE A 20 11.794 -2.081 0.093 1.00 0.00 O ATOM 263 CB ILE A 20 11.944 -2.060 3.113 1.00 0.00 C ATOM 264 CG1 ILE A 20 11.757 -2.621 4.527 1.00 0.00 C ATOM 265 CG2 ILE A 20 12.197 -0.559 3.171 1.00 0.00 C ATOM 266 CD1 ILE A 20 10.634 -1.966 5.302 1.00 0.00 C ATOM 0 H ILE A 20 11.418 -4.340 1.997 1.00 0.00 H new ATOM 0 HA ILE A 20 9.815 -2.000 2.692 1.00 0.00 H new ATOM 0 HB ILE A 20 12.813 -2.544 2.668 1.00 0.00 H new ATOM 0 HG12 ILE A 20 11.563 -3.692 4.460 1.00 0.00 H new ATOM 0 HG13 ILE A 20 12.687 -2.500 5.082 1.00 0.00 H new ATOM 0 HG21 ILE A 20 13.060 -0.360 3.806 1.00 0.00 H new ATOM 0 HG22 ILE A 20 12.391 -0.184 2.166 1.00 0.00 H new ATOM 0 HG23 ILE A 20 11.321 -0.058 3.582 1.00 0.00 H new ATOM 0 HD11 ILE A 20 10.564 -2.416 6.292 1.00 0.00 H new ATOM 0 HD12 ILE A 20 10.835 -0.899 5.402 1.00 0.00 H new ATOM 0 HD13 ILE A 20 9.693 -2.110 4.771 1.00 0.00 H new ATOM 278 N LEU A 21 10.112 -0.679 0.586 1.00 0.00 N ATOM 279 CA LEU A 21 10.308 0.150 -0.595 1.00 0.00 C ATOM 280 C LEU A 21 9.926 1.591 -0.276 1.00 0.00 C ATOM 281 O LEU A 21 9.013 1.838 0.515 1.00 0.00 O ATOM 282 CB LEU A 21 9.515 -0.401 -1.793 1.00 0.00 C ATOM 283 CG LEU A 21 7.991 -0.440 -1.643 1.00 0.00 C ATOM 284 CD1 LEU A 21 7.366 0.832 -2.191 1.00 0.00 C ATOM 285 CD2 LEU A 21 7.423 -1.659 -2.352 1.00 0.00 C ATOM 0 H LEU A 21 9.312 -0.412 1.161 1.00 0.00 H new ATOM 0 HA LEU A 21 11.361 0.129 -0.878 1.00 0.00 H new ATOM 0 HB2 LEU A 21 9.756 0.202 -2.668 1.00 0.00 H new ATOM 0 HB3 LEU A 21 9.864 -1.413 -1.997 1.00 0.00 H new ATOM 0 HG LEU A 21 7.750 -0.510 -0.582 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.283 0.785 -2.075 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.752 1.692 -1.644 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.614 0.933 -3.248 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.339 -1.674 -2.237 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.675 -1.614 -3.411 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.847 -2.564 -1.916 1.00 0.00 H new ATOM 297 N GLU A 22 10.637 2.540 -0.860 1.00 0.00 N ATOM 298 CA GLU A 22 10.406 3.944 -0.557 1.00 0.00 C ATOM 299 C GLU A 22 10.478 4.796 -1.816 1.00 0.00 C ATOM 300 O GLU A 22 10.984 4.354 -2.849 1.00 0.00 O ATOM 301 CB GLU A 22 11.415 4.430 0.486 1.00 0.00 C ATOM 302 CG GLU A 22 12.862 4.263 0.070 1.00 0.00 C ATOM 303 CD GLU A 22 13.823 4.492 1.215 1.00 0.00 C ATOM 304 OE1 GLU A 22 13.947 5.646 1.670 1.00 0.00 O ATOM 305 OE2 GLU A 22 14.454 3.516 1.667 1.00 0.00 O ATOM 0 H GLU A 22 11.375 2.367 -1.543 1.00 0.00 H new ATOM 0 HA GLU A 22 9.402 4.046 -0.146 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.227 5.483 0.695 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.250 3.886 1.416 1.00 0.00 H new ATOM 0 HG2 GLU A 22 13.009 3.259 -0.328 1.00 0.00 H new ATOM 0 HG3 GLU A 22 13.088 4.962 -0.735 1.00 0.00 H new ATOM 312 N SER A 23 9.958 6.012 -1.732 1.00 0.00 N ATOM 313 CA SER A 23 9.973 6.922 -2.864 1.00 0.00 C ATOM 314 C SER A 23 10.541 8.270 -2.444 1.00 0.00 C ATOM 315 O SER A 23 10.668 8.549 -1.251 1.00 0.00 O ATOM 316 CB SER A 23 8.556 7.090 -3.430 1.00 0.00 C ATOM 317 OG SER A 23 8.544 7.968 -4.545 1.00 0.00 O ATOM 0 H SER A 23 9.521 6.390 -0.891 1.00 0.00 H new ATOM 0 HA SER A 23 10.609 6.503 -3.644 1.00 0.00 H new ATOM 0 HB2 SER A 23 8.164 6.117 -3.727 1.00 0.00 H new ATOM 0 HB3 SER A 23 7.896 7.477 -2.653 1.00 0.00 H new ATOM 0 HG SER A 23 7.629 8.053 -4.884 1.00 0.00 H new ATOM 323 N GLY A 24 10.890 9.095 -3.423 1.00 0.00 N ATOM 324 CA GLY A 24 11.388 10.426 -3.142 1.00 0.00 C ATOM 325 C GLY A 24 10.321 11.478 -3.358 1.00 0.00 C ATOM 326 O GLY A 24 10.619 12.669 -3.454 1.00 0.00 O ATOM 0 H GLY A 24 10.836 8.862 -4.415 1.00 0.00 H new ATOM 0 HA2 GLY A 24 11.742 10.473 -2.112 1.00 0.00 H new ATOM 0 HA3 GLY A 24 12.244 10.638 -3.783 1.00 0.00 H new ATOM 330 N ALA A 25 9.081 11.027 -3.471 1.00 0.00 N ATOM 331 CA ALA A 25 7.941 11.919 -3.591 1.00 0.00 C ATOM 332 C ALA A 25 6.776 11.396 -2.758 1.00 0.00 C ATOM 333 O ALA A 25 6.576 10.186 -2.670 1.00 0.00 O ATOM 334 CB ALA A 25 7.531 12.053 -5.050 1.00 0.00 C ATOM 0 H ALA A 25 8.839 10.036 -3.482 1.00 0.00 H new ATOM 0 HA ALA A 25 8.223 12.903 -3.217 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.676 12.724 -5.127 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.363 12.458 -5.626 1.00 0.00 H new ATOM 0 HB3 ALA A 25 7.260 11.073 -5.443 1.00 0.00 H new ATOM 340 N PRO A 26 6.004 12.297 -2.123 1.00 0.00 N ATOM 341 CA PRO A 26 4.804 11.918 -1.368 1.00 0.00 C ATOM 342 C PRO A 26 3.774 11.253 -2.271 1.00 0.00 C ATOM 343 O PRO A 26 3.533 11.711 -3.390 1.00 0.00 O ATOM 344 CB PRO A 26 4.272 13.252 -0.825 1.00 0.00 C ATOM 345 CG PRO A 26 5.428 14.189 -0.903 1.00 0.00 C ATOM 346 CD PRO A 26 6.237 13.747 -2.089 1.00 0.00 C ATOM 0 HA PRO A 26 5.019 11.196 -0.580 1.00 0.00 H new ATOM 0 HB2 PRO A 26 3.431 13.612 -1.418 1.00 0.00 H new ATOM 0 HB3 PRO A 26 3.917 13.147 0.200 1.00 0.00 H new ATOM 0 HG2 PRO A 26 5.089 15.218 -1.023 1.00 0.00 H new ATOM 0 HG3 PRO A 26 6.022 14.153 0.010 1.00 0.00 H new ATOM 0 HD2 PRO A 26 5.905 14.231 -3.007 1.00 0.00 H new ATOM 0 HD3 PRO A 26 7.294 13.984 -1.968 1.00 0.00 H new ATOM 354 N ARG A 27 3.169 10.170 -1.804 1.00 0.00 N ATOM 355 CA ARG A 27 2.288 9.394 -2.659 1.00 0.00 C ATOM 356 C ARG A 27 1.048 8.900 -1.911 1.00 0.00 C ATOM 357 O ARG A 27 1.036 8.805 -0.684 1.00 0.00 O ATOM 358 CB ARG A 27 3.053 8.203 -3.248 1.00 0.00 C ATOM 359 CG ARG A 27 2.820 8.006 -4.738 1.00 0.00 C ATOM 360 CD ARG A 27 3.456 9.119 -5.560 1.00 0.00 C ATOM 361 NE ARG A 27 2.984 9.115 -6.944 1.00 0.00 N ATOM 362 CZ ARG A 27 3.772 9.100 -8.015 1.00 0.00 C ATOM 363 NH1 ARG A 27 5.094 9.044 -7.880 1.00 0.00 N ATOM 364 NH2 ARG A 27 3.229 9.131 -9.226 1.00 0.00 N ATOM 0 H ARG A 27 3.270 9.815 -0.853 1.00 0.00 H new ATOM 0 HA ARG A 27 1.947 10.048 -3.461 1.00 0.00 H new ATOM 0 HB2 ARG A 27 4.119 8.343 -3.071 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.759 7.296 -2.720 1.00 0.00 H new ATOM 0 HG2 ARG A 27 3.232 7.045 -5.047 1.00 0.00 H new ATOM 0 HG3 ARG A 27 1.749 7.973 -4.938 1.00 0.00 H new ATOM 0 HD2 ARG A 27 3.230 10.082 -5.103 1.00 0.00 H new ATOM 0 HD3 ARG A 27 4.540 9.006 -5.546 1.00 0.00 H new ATOM 0 HE ARG A 27 1.976 9.124 -7.099 1.00 0.00 H new ATOM 0 HH11 ARG A 27 5.511 9.012 -6.950 1.00 0.00 H new ATOM 0 HH12 ARG A 27 5.691 9.033 -8.707 1.00 0.00 H new ATOM 0 HH21 ARG A 27 2.215 9.166 -9.329 1.00 0.00 H new ATOM 0 HH22 ARG A 27 3.826 9.120 -10.053 1.00 0.00 H new ATOM 378 N ARG A 28 0.011 8.601 -2.679 1.00 0.00 N ATOM 379 CA ARG A 28 -1.234 8.043 -2.161 1.00 0.00 C ATOM 380 C ARG A 28 -1.323 6.563 -2.553 1.00 0.00 C ATOM 381 O ARG A 28 -0.583 6.125 -3.428 1.00 0.00 O ATOM 382 CB ARG A 28 -2.405 8.848 -2.751 1.00 0.00 C ATOM 383 CG ARG A 28 -3.787 8.320 -2.409 1.00 0.00 C ATOM 384 CD ARG A 28 -4.881 9.229 -2.946 1.00 0.00 C ATOM 385 NE ARG A 28 -4.826 10.559 -2.346 1.00 0.00 N ATOM 386 CZ ARG A 28 -5.611 11.575 -2.697 1.00 0.00 C ATOM 387 NH1 ARG A 28 -6.577 11.405 -3.587 1.00 0.00 N ATOM 388 NH2 ARG A 28 -5.455 12.745 -2.106 1.00 0.00 N ATOM 0 H ARG A 28 0.008 8.739 -3.690 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.271 8.108 -1.074 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.330 9.878 -2.402 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -2.300 8.871 -3.836 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -3.908 7.319 -2.824 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -3.886 8.230 -1.327 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.783 9.314 -4.028 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.855 8.781 -2.748 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.140 10.720 -1.608 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.725 10.489 -4.010 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.173 12.190 -3.849 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.739 12.863 -1.389 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -6.050 13.531 -2.366 1.00 0.00 H new ATOM 402 N ILE A 29 -2.196 5.786 -1.910 1.00 0.00 N ATOM 403 CA ILE A 29 -2.374 4.380 -2.287 1.00 0.00 C ATOM 404 C ILE A 29 -2.831 4.293 -3.744 1.00 0.00 C ATOM 405 O ILE A 29 -2.286 3.530 -4.542 1.00 0.00 O ATOM 406 CB ILE A 29 -3.419 3.655 -1.405 1.00 0.00 C ATOM 407 CG1 ILE A 29 -3.221 3.972 0.083 1.00 0.00 C ATOM 408 CG2 ILE A 29 -3.350 2.153 -1.639 1.00 0.00 C ATOM 409 CD1 ILE A 29 -4.147 3.191 0.982 1.00 0.00 C ATOM 0 H ILE A 29 -2.784 6.099 -1.137 1.00 0.00 H new ATOM 0 HA ILE A 29 -1.411 3.890 -2.145 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.406 4.018 -1.691 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.189 3.758 0.360 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.380 5.038 0.246 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -4.089 1.653 -1.013 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.557 1.938 -2.687 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.354 1.790 -1.384 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -3.958 3.460 2.021 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.181 3.424 0.730 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.972 2.124 0.846 1.00 0.00 H new ATOM 421 N LYS A 30 -3.840 5.100 -4.059 1.00 0.00 N ATOM 422 CA LYS A 30 -4.345 5.283 -5.420 1.00 0.00 C ATOM 423 C LYS A 30 -3.208 5.612 -6.375 1.00 0.00 C ATOM 424 O LYS A 30 -3.196 5.178 -7.524 1.00 0.00 O ATOM 425 CB LYS A 30 -5.386 6.414 -5.401 1.00 0.00 C ATOM 426 CG LYS A 30 -5.812 6.942 -6.764 1.00 0.00 C ATOM 427 CD LYS A 30 -6.455 5.869 -7.622 1.00 0.00 C ATOM 428 CE LYS A 30 -7.150 6.476 -8.831 1.00 0.00 C ATOM 429 NZ LYS A 30 -6.255 7.375 -9.606 1.00 0.00 N ATOM 0 H LYS A 30 -4.340 5.656 -3.365 1.00 0.00 H new ATOM 0 HA LYS A 30 -4.808 4.361 -5.771 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.273 6.058 -4.876 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -4.983 7.244 -4.820 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -6.514 7.765 -6.629 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -4.943 7.346 -7.283 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -5.696 5.161 -7.953 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -7.176 5.308 -7.028 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -7.509 5.677 -9.480 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -8.025 7.035 -8.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -6.705 7.616 -10.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -6.082 8.245 -9.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -5.351 6.894 -9.786 1.00 0.00 H new ATOM 443 N ASP A 31 -2.249 6.365 -5.877 1.00 0.00 N ATOM 444 CA ASP A 31 -1.087 6.749 -6.656 1.00 0.00 C ATOM 445 C ASP A 31 -0.156 5.559 -6.856 1.00 0.00 C ATOM 446 O ASP A 31 0.155 5.191 -7.983 1.00 0.00 O ATOM 447 CB ASP A 31 -0.349 7.875 -5.945 1.00 0.00 C ATOM 448 CG ASP A 31 -0.379 9.174 -6.716 1.00 0.00 C ATOM 449 OD1 ASP A 31 0.461 9.349 -7.617 1.00 0.00 O ATOM 450 OD2 ASP A 31 -1.235 10.028 -6.407 1.00 0.00 O ATOM 0 H ASP A 31 -2.252 6.728 -4.924 1.00 0.00 H new ATOM 0 HA ASP A 31 -1.418 7.093 -7.636 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -0.794 8.031 -4.962 1.00 0.00 H new ATOM 0 HB3 ASP A 31 0.687 7.578 -5.782 1.00 0.00 H new ATOM 455 N VAL A 32 0.258 4.946 -5.751 1.00 0.00 N ATOM 456 CA VAL A 32 1.192 3.823 -5.794 1.00 0.00 C ATOM 457 C VAL A 32 0.626 2.663 -6.606 1.00 0.00 C ATOM 458 O VAL A 32 1.193 2.278 -7.628 1.00 0.00 O ATOM 459 CB VAL A 32 1.549 3.321 -4.375 1.00 0.00 C ATOM 460 CG1 VAL A 32 2.538 2.164 -4.440 1.00 0.00 C ATOM 461 CG2 VAL A 32 2.110 4.452 -3.526 1.00 0.00 C ATOM 0 H VAL A 32 -0.039 5.208 -4.811 1.00 0.00 H new ATOM 0 HA VAL A 32 2.098 4.191 -6.275 1.00 0.00 H new ATOM 0 HB VAL A 32 0.632 2.962 -3.907 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.773 1.829 -3.430 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.098 1.340 -5.002 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.452 2.494 -4.935 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.354 4.075 -2.533 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.011 4.847 -3.995 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.368 5.246 -3.441 1.00 0.00 H new ATOM 471 N LEU A 33 -0.502 2.121 -6.166 1.00 0.00 N ATOM 472 CA LEU A 33 -1.095 0.969 -6.834 1.00 0.00 C ATOM 473 C LEU A 33 -1.639 1.347 -8.208 1.00 0.00 C ATOM 474 O LEU A 33 -1.686 0.513 -9.113 1.00 0.00 O ATOM 475 CB LEU A 33 -2.204 0.351 -5.976 1.00 0.00 C ATOM 476 CG LEU A 33 -1.733 -0.562 -4.834 1.00 0.00 C ATOM 477 CD1 LEU A 33 -0.868 -1.692 -5.375 1.00 0.00 C ATOM 478 CD2 LEU A 33 -0.982 0.225 -3.769 1.00 0.00 C ATOM 0 H LEU A 33 -1.022 2.457 -5.355 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.308 0.227 -6.971 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.800 1.158 -5.549 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.864 -0.223 -6.627 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.617 -0.994 -4.366 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.544 -2.328 -4.552 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.445 -2.284 -6.085 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.005 -1.274 -5.876 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.662 -0.450 -2.975 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.108 0.699 -4.216 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.637 0.990 -3.352 1.00 0.00 H new ATOM 490 N GLY A 34 -2.039 2.604 -8.362 1.00 0.00 N ATOM 491 CA GLY A 34 -2.556 3.073 -9.634 1.00 0.00 C ATOM 492 C GLY A 34 -1.478 3.173 -10.696 1.00 0.00 C ATOM 493 O GLY A 34 -1.690 2.779 -11.845 1.00 0.00 O ATOM 0 H GLY A 34 -2.014 3.309 -7.625 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.338 2.396 -9.977 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.019 4.050 -9.497 1.00 0.00 H new ATOM 497 N GLU A 35 -0.320 3.703 -10.320 1.00 0.00 N ATOM 498 CA GLU A 35 0.803 3.819 -11.243 1.00 0.00 C ATOM 499 C GLU A 35 1.411 2.453 -11.522 1.00 0.00 C ATOM 500 O GLU A 35 1.867 2.182 -12.632 1.00 0.00 O ATOM 501 CB GLU A 35 1.867 4.772 -10.693 1.00 0.00 C ATOM 502 CG GLU A 35 1.389 6.213 -10.582 1.00 0.00 C ATOM 503 CD GLU A 35 1.056 6.831 -11.925 1.00 0.00 C ATOM 504 OE1 GLU A 35 -0.056 6.588 -12.445 1.00 0.00 O ATOM 505 OE2 GLU A 35 1.898 7.579 -12.464 1.00 0.00 O ATOM 0 H GLU A 35 -0.134 4.059 -9.383 1.00 0.00 H new ATOM 0 HA GLU A 35 0.427 4.230 -12.180 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.181 4.425 -9.709 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.744 4.737 -11.339 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.507 6.249 -9.943 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.160 6.809 -10.095 1.00 0.00 H new ATOM 512 N LEU A 36 1.410 1.584 -10.515 1.00 0.00 N ATOM 513 CA LEU A 36 1.877 0.217 -10.706 1.00 0.00 C ATOM 514 C LEU A 36 0.853 -0.581 -11.508 1.00 0.00 C ATOM 515 O LEU A 36 1.174 -1.622 -12.081 1.00 0.00 O ATOM 516 CB LEU A 36 2.129 -0.460 -9.358 1.00 0.00 C ATOM 517 CG LEU A 36 3.224 0.176 -8.500 1.00 0.00 C ATOM 518 CD1 LEU A 36 3.359 -0.560 -7.178 1.00 0.00 C ATOM 519 CD2 LEU A 36 4.553 0.183 -9.240 1.00 0.00 C ATOM 0 H LEU A 36 1.095 1.800 -9.569 1.00 0.00 H new ATOM 0 HA LEU A 36 2.816 0.248 -11.259 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.199 -0.458 -8.790 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.391 -1.503 -9.537 1.00 0.00 H new ATOM 0 HG LEU A 36 2.940 1.208 -8.296 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.143 -0.094 -6.580 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.414 -0.513 -6.637 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.618 -1.602 -7.366 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.317 0.640 -8.611 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.843 -0.841 -9.477 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.453 0.755 -10.162 1.00 0.00 H new ATOM 531 N GLU A 37 -0.373 -0.058 -11.557 1.00 0.00 N ATOM 532 CA GLU A 37 -1.450 -0.626 -12.366 1.00 0.00 C ATOM 533 C GLU A 37 -1.784 -2.050 -11.909 1.00 0.00 C ATOM 534 O GLU A 37 -2.117 -2.923 -12.711 1.00 0.00 O ATOM 535 CB GLU A 37 -1.051 -0.586 -13.843 1.00 0.00 C ATOM 536 CG GLU A 37 -2.212 -0.753 -14.805 1.00 0.00 C ATOM 537 CD GLU A 37 -1.822 -0.412 -16.223 1.00 0.00 C ATOM 538 OE1 GLU A 37 -1.299 -1.296 -16.932 1.00 0.00 O ATOM 539 OE2 GLU A 37 -2.029 0.752 -16.632 1.00 0.00 O ATOM 0 H GLU A 37 -0.647 0.774 -11.035 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.353 -0.030 -12.235 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.557 0.363 -14.049 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.321 -1.373 -14.032 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.572 -1.781 -14.765 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -3.038 -0.114 -14.492 1.00 0.00 H new ATOM 546 N ILE A 38 -1.716 -2.262 -10.604 1.00 0.00 N ATOM 547 CA ILE A 38 -2.013 -3.560 -10.015 1.00 0.00 C ATOM 548 C ILE A 38 -3.489 -3.632 -9.623 1.00 0.00 C ATOM 549 O ILE A 38 -4.046 -2.646 -9.137 1.00 0.00 O ATOM 550 CB ILE A 38 -1.117 -3.808 -8.775 1.00 0.00 C ATOM 551 CG1 ILE A 38 0.359 -3.795 -9.184 1.00 0.00 C ATOM 552 CG2 ILE A 38 -1.470 -5.121 -8.088 1.00 0.00 C ATOM 553 CD1 ILE A 38 1.316 -3.978 -8.025 1.00 0.00 C ATOM 0 H ILE A 38 -1.455 -1.545 -9.927 1.00 0.00 H new ATOM 0 HA ILE A 38 -1.805 -4.335 -10.753 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.295 -3.004 -8.061 1.00 0.00 H new ATOM 0 HG12 ILE A 38 0.531 -4.586 -9.914 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.581 -2.850 -9.680 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.823 -5.264 -7.223 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.510 -5.093 -7.763 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.330 -5.946 -8.786 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.342 -3.958 -8.393 1.00 0.00 H new ATOM 0 HD12 ILE A 38 1.173 -3.173 -7.305 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.123 -4.936 -7.542 1.00 0.00 H new ATOM 565 N PRO A 39 -4.153 -4.782 -9.866 1.00 0.00 N ATOM 566 CA PRO A 39 -5.561 -4.991 -9.485 1.00 0.00 C ATOM 567 C PRO A 39 -5.779 -5.003 -7.967 1.00 0.00 C ATOM 568 O PRO A 39 -6.169 -6.016 -7.384 1.00 0.00 O ATOM 569 CB PRO A 39 -5.899 -6.358 -10.088 1.00 0.00 C ATOM 570 CG PRO A 39 -4.584 -7.041 -10.256 1.00 0.00 C ATOM 571 CD PRO A 39 -3.597 -5.955 -10.566 1.00 0.00 C ATOM 0 HA PRO A 39 -6.194 -4.181 -9.846 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -6.558 -6.927 -9.432 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -6.414 -6.252 -11.043 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -4.303 -7.578 -9.350 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -4.624 -7.775 -11.061 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.599 -6.203 -10.205 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -3.514 -5.781 -11.639 1.00 0.00 H new ATOM 579 N ILE A 40 -5.537 -3.858 -7.344 1.00 0.00 N ATOM 580 CA ILE A 40 -5.740 -3.672 -5.910 1.00 0.00 C ATOM 581 C ILE A 40 -7.225 -3.782 -5.551 1.00 0.00 C ATOM 582 O ILE A 40 -7.590 -4.107 -4.424 1.00 0.00 O ATOM 583 CB ILE A 40 -5.196 -2.287 -5.473 1.00 0.00 C ATOM 584 CG1 ILE A 40 -5.438 -2.040 -3.979 1.00 0.00 C ATOM 585 CG2 ILE A 40 -5.824 -1.176 -6.310 1.00 0.00 C ATOM 586 CD1 ILE A 40 -4.962 -0.686 -3.492 1.00 0.00 C ATOM 0 H ILE A 40 -5.192 -3.025 -7.821 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.197 -4.457 -5.383 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.119 -2.282 -5.642 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -6.504 -2.134 -3.774 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.934 -2.818 -3.406 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -5.430 -0.212 -5.989 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -5.585 -1.334 -7.362 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -6.906 -1.188 -6.178 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -5.169 -0.589 -2.426 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.889 -0.594 -3.663 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -5.485 0.101 -4.036 1.00 0.00 H new ATOM 598 N GLU A 41 -8.064 -3.556 -6.548 1.00 0.00 N ATOM 599 CA GLU A 41 -9.505 -3.472 -6.367 1.00 0.00 C ATOM 600 C GLU A 41 -10.123 -4.809 -5.941 1.00 0.00 C ATOM 601 O GLU A 41 -11.223 -4.839 -5.390 1.00 0.00 O ATOM 602 CB GLU A 41 -10.123 -2.992 -7.680 1.00 0.00 C ATOM 603 CG GLU A 41 -11.622 -2.765 -7.632 1.00 0.00 C ATOM 604 CD GLU A 41 -12.161 -2.288 -8.962 1.00 0.00 C ATOM 605 OE1 GLU A 41 -12.167 -1.063 -9.201 1.00 0.00 O ATOM 606 OE2 GLU A 41 -12.564 -3.138 -9.783 1.00 0.00 O ATOM 0 H GLU A 41 -7.763 -3.425 -7.514 1.00 0.00 H new ATOM 0 HA GLU A 41 -9.714 -2.769 -5.561 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -9.638 -2.061 -7.975 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -9.905 -3.725 -8.457 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -12.121 -3.692 -7.349 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -11.854 -2.030 -6.861 1.00 0.00 H new ATOM 613 N THR A 42 -9.423 -5.912 -6.177 1.00 0.00 N ATOM 614 CA THR A 42 -10.008 -7.222 -5.929 1.00 0.00 C ATOM 615 C THR A 42 -9.373 -7.912 -4.715 1.00 0.00 C ATOM 616 O THR A 42 -9.602 -9.099 -4.475 1.00 0.00 O ATOM 617 CB THR A 42 -9.896 -8.126 -7.179 1.00 0.00 C ATOM 618 OG1 THR A 42 -10.661 -9.323 -6.993 1.00 0.00 O ATOM 619 CG2 THR A 42 -8.443 -8.486 -7.469 1.00 0.00 C ATOM 0 H THR A 42 -8.467 -5.927 -6.533 1.00 0.00 H new ATOM 0 HA THR A 42 -11.063 -7.062 -5.707 1.00 0.00 H new ATOM 0 HB THR A 42 -10.291 -7.571 -8.030 1.00 0.00 H new ATOM 0 HG1 THR A 42 -10.576 -9.624 -6.064 1.00 0.00 H new ATOM 0 HG21 THR A 42 -8.395 -9.122 -8.353 1.00 0.00 H new ATOM 0 HG22 THR A 42 -7.871 -7.575 -7.646 1.00 0.00 H new ATOM 0 HG23 THR A 42 -8.023 -9.018 -6.616 1.00 0.00 H new ATOM 627 N VAL A 43 -8.595 -7.165 -3.937 1.00 0.00 N ATOM 628 CA VAL A 43 -7.973 -7.716 -2.734 1.00 0.00 C ATOM 629 C VAL A 43 -8.148 -6.765 -1.548 1.00 0.00 C ATOM 630 O VAL A 43 -8.641 -5.652 -1.709 1.00 0.00 O ATOM 631 CB VAL A 43 -6.472 -8.034 -2.938 1.00 0.00 C ATOM 632 CG1 VAL A 43 -6.284 -9.105 -4.003 1.00 0.00 C ATOM 633 CG2 VAL A 43 -5.684 -6.785 -3.300 1.00 0.00 C ATOM 0 H VAL A 43 -8.380 -6.184 -4.115 1.00 0.00 H new ATOM 0 HA VAL A 43 -8.483 -8.656 -2.521 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.087 -8.414 -1.992 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -5.221 -9.311 -4.128 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.797 -10.017 -3.697 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -6.699 -8.755 -4.948 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.634 -7.044 -3.436 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.076 -6.363 -4.225 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -5.776 -6.052 -2.499 1.00 0.00 H new ATOM 643 N VAL A 44 -7.742 -7.208 -0.361 1.00 0.00 N ATOM 644 CA VAL A 44 -7.950 -6.428 0.856 1.00 0.00 C ATOM 645 C VAL A 44 -6.791 -5.466 1.101 1.00 0.00 C ATOM 646 O VAL A 44 -5.628 -5.862 1.066 1.00 0.00 O ATOM 647 CB VAL A 44 -8.124 -7.344 2.090 1.00 0.00 C ATOM 648 CG1 VAL A 44 -8.423 -6.531 3.342 1.00 0.00 C ATOM 649 CG2 VAL A 44 -9.221 -8.371 1.848 1.00 0.00 C ATOM 0 H VAL A 44 -7.269 -8.100 -0.216 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.865 -5.853 0.711 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.183 -7.872 2.247 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -8.540 -7.203 4.193 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -7.600 -5.842 3.534 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.343 -5.965 3.197 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -9.327 -9.005 2.728 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -10.163 -7.858 1.655 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -8.960 -8.986 0.987 1.00 0.00 H new ATOM 659 N VAL A 45 -7.120 -4.203 1.344 1.00 0.00 N ATOM 660 CA VAL A 45 -6.109 -3.186 1.586 1.00 0.00 C ATOM 661 C VAL A 45 -6.102 -2.766 3.054 1.00 0.00 C ATOM 662 O VAL A 45 -7.135 -2.379 3.606 1.00 0.00 O ATOM 663 CB VAL A 45 -6.363 -1.934 0.720 1.00 0.00 C ATOM 664 CG1 VAL A 45 -5.190 -0.966 0.806 1.00 0.00 C ATOM 665 CG2 VAL A 45 -6.637 -2.327 -0.721 1.00 0.00 C ATOM 0 H VAL A 45 -8.080 -3.860 1.378 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.145 -3.622 1.322 1.00 0.00 H new ATOM 0 HB VAL A 45 -7.246 -1.425 1.108 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.393 -0.092 0.187 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.051 -0.653 1.841 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.285 -1.459 0.452 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.814 -1.431 -1.315 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.777 -2.864 -1.121 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.517 -2.969 -0.762 1.00 0.00 H new ATOM 675 N LYS A 46 -4.938 -2.841 3.679 1.00 0.00 N ATOM 676 CA LYS A 46 -4.773 -2.385 5.049 1.00 0.00 C ATOM 677 C LYS A 46 -3.678 -1.334 5.142 1.00 0.00 C ATOM 678 O LYS A 46 -2.519 -1.605 4.836 1.00 0.00 O ATOM 679 CB LYS A 46 -4.414 -3.542 5.980 1.00 0.00 C ATOM 680 CG LYS A 46 -5.584 -4.389 6.438 1.00 0.00 C ATOM 681 CD LYS A 46 -5.113 -5.410 7.460 1.00 0.00 C ATOM 682 CE LYS A 46 -6.266 -6.116 8.146 1.00 0.00 C ATOM 683 NZ LYS A 46 -5.787 -6.971 9.265 1.00 0.00 N ATOM 0 H LYS A 46 -4.089 -3.216 3.256 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.726 -1.955 5.357 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.696 -4.186 5.472 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.913 -3.138 6.859 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.355 -3.754 6.874 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -6.033 -4.896 5.584 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.480 -6.148 6.967 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.498 -4.912 8.210 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.973 -5.378 8.526 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -6.803 -6.728 7.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -6.598 -7.441 9.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.131 -7.689 8.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -5.296 -6.381 9.967 1.00 0.00 H new ATOM 697 N LYS A 47 -4.050 -0.146 5.568 1.00 0.00 N ATOM 698 CA LYS A 47 -3.084 0.895 5.853 1.00 0.00 C ATOM 699 C LYS A 47 -2.797 0.908 7.344 1.00 0.00 C ATOM 700 O LYS A 47 -3.665 1.259 8.147 1.00 0.00 O ATOM 701 CB LYS A 47 -3.601 2.259 5.398 1.00 0.00 C ATOM 702 CG LYS A 47 -2.734 3.419 5.848 1.00 0.00 C ATOM 703 CD LYS A 47 -3.296 4.742 5.376 1.00 0.00 C ATOM 704 CE LYS A 47 -2.575 5.903 6.032 1.00 0.00 C ATOM 705 NZ LYS A 47 -3.101 7.212 5.576 1.00 0.00 N ATOM 0 H LYS A 47 -5.021 0.125 5.726 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.165 0.689 5.304 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.669 2.268 4.310 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.611 2.401 5.782 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.660 3.420 6.936 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.723 3.292 5.460 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.201 4.816 4.293 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.360 4.793 5.607 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.677 5.828 7.115 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.510 5.842 5.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.843 7.948 6.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.693 7.446 4.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.137 7.161 5.496 1.00 0.00 H new ATOM 719 N ASN A 48 -1.602 0.458 7.702 1.00 0.00 N ATOM 720 CA ASN A 48 -1.161 0.401 9.094 1.00 0.00 C ATOM 721 C ASN A 48 -2.014 -0.590 9.890 1.00 0.00 C ATOM 722 O ASN A 48 -1.980 -0.609 11.122 1.00 0.00 O ATOM 723 CB ASN A 48 -1.222 1.794 9.736 1.00 0.00 C ATOM 724 CG ASN A 48 -0.177 1.986 10.817 1.00 0.00 C ATOM 725 OD1 ASN A 48 -0.414 1.708 11.995 1.00 0.00 O ATOM 726 ND2 ASN A 48 0.988 2.475 10.427 1.00 0.00 N ATOM 0 H ASN A 48 -0.907 0.121 7.035 1.00 0.00 H new ATOM 0 HA ASN A 48 -0.127 0.057 9.111 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -1.084 2.552 8.964 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -2.213 1.950 10.162 1.00 0.00 H new ATOM 0 HD21 ASN A 48 1.729 2.635 11.110 1.00 0.00 H new ATOM 0 HD22 ASN A 48 1.146 2.693 9.443 1.00 0.00 H new ATOM 733 N GLY A 49 -2.766 -1.426 9.179 1.00 0.00 N ATOM 734 CA GLY A 49 -3.635 -2.391 9.828 1.00 0.00 C ATOM 735 C GLY A 49 -5.101 -2.029 9.680 1.00 0.00 C ATOM 736 O GLY A 49 -5.987 -2.840 9.951 1.00 0.00 O ATOM 0 H GLY A 49 -2.788 -1.452 8.160 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.461 -3.379 9.402 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.382 -2.452 10.887 1.00 0.00 H new ATOM 740 N GLN A 50 -5.357 -0.806 9.247 1.00 0.00 N ATOM 741 CA GLN A 50 -6.718 -0.335 9.050 1.00 0.00 C ATOM 742 C GLN A 50 -7.181 -0.635 7.633 1.00 0.00 C ATOM 743 O GLN A 50 -6.487 -0.317 6.673 1.00 0.00 O ATOM 744 CB GLN A 50 -6.803 1.167 9.308 1.00 0.00 C ATOM 745 CG GLN A 50 -6.478 1.569 10.738 1.00 0.00 C ATOM 746 CD GLN A 50 -7.493 1.050 11.735 1.00 0.00 C ATOM 747 OE1 GLN A 50 -8.500 1.703 12.003 1.00 0.00 O ATOM 748 NE2 GLN A 50 -7.225 -0.112 12.309 1.00 0.00 N ATOM 0 H GLN A 50 -4.637 -0.119 9.024 1.00 0.00 H new ATOM 0 HA GLN A 50 -7.366 -0.855 9.755 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.118 1.680 8.633 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -7.808 1.511 9.065 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.490 1.192 11.002 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.432 2.656 10.804 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.378 -0.622 12.058 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -7.866 -0.498 13.003 1.00 0.00 H new ATOM 757 N ILE A 51 -8.346 -1.248 7.498 1.00 0.00 N ATOM 758 CA ILE A 51 -8.896 -1.522 6.181 1.00 0.00 C ATOM 759 C ILE A 51 -9.379 -0.221 5.560 1.00 0.00 C ATOM 760 O ILE A 51 -10.400 0.333 5.967 1.00 0.00 O ATOM 761 CB ILE A 51 -10.052 -2.544 6.237 1.00 0.00 C ATOM 762 CG1 ILE A 51 -9.563 -3.843 6.885 1.00 0.00 C ATOM 763 CG2 ILE A 51 -10.594 -2.813 4.837 1.00 0.00 C ATOM 764 CD1 ILE A 51 -10.627 -4.912 7.006 1.00 0.00 C ATOM 0 H ILE A 51 -8.924 -1.563 8.277 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.108 -1.960 5.569 1.00 0.00 H new ATOM 0 HB ILE A 51 -10.861 -2.132 6.840 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -8.732 -4.237 6.301 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -9.175 -3.617 7.878 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -11.408 -3.535 4.895 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -10.964 -1.883 4.405 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -9.798 -3.213 4.209 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -10.200 -5.799 7.474 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -11.449 -4.539 7.617 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -10.999 -5.169 6.014 1.00 0.00 H new ATOM 776 N VAL A 52 -8.622 0.271 4.596 1.00 0.00 N ATOM 777 CA VAL A 52 -8.863 1.589 4.033 1.00 0.00 C ATOM 778 C VAL A 52 -9.227 1.507 2.563 1.00 0.00 C ATOM 779 O VAL A 52 -9.140 0.446 1.945 1.00 0.00 O ATOM 780 CB VAL A 52 -7.615 2.495 4.153 1.00 0.00 C ATOM 781 CG1 VAL A 52 -7.267 2.777 5.604 1.00 0.00 C ATOM 782 CG2 VAL A 52 -6.430 1.865 3.436 1.00 0.00 C ATOM 0 H VAL A 52 -7.831 -0.224 4.184 1.00 0.00 H new ATOM 0 HA VAL A 52 -9.690 2.013 4.602 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.850 3.447 3.677 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.385 3.416 5.649 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -8.105 3.279 6.088 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -7.061 1.838 6.118 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.560 2.515 3.530 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.208 0.896 3.882 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -6.671 1.732 2.381 1.00 0.00 H new ATOM 792 N ILE A 53 -9.636 2.637 2.016 1.00 0.00 N ATOM 793 CA ILE A 53 -9.748 2.790 0.583 1.00 0.00 C ATOM 794 C ILE A 53 -8.415 3.295 0.046 1.00 0.00 C ATOM 795 O ILE A 53 -7.562 3.743 0.813 1.00 0.00 O ATOM 796 CB ILE A 53 -10.879 3.765 0.189 1.00 0.00 C ATOM 797 CG1 ILE A 53 -10.659 5.137 0.835 1.00 0.00 C ATOM 798 CG2 ILE A 53 -12.235 3.195 0.588 1.00 0.00 C ATOM 799 CD1 ILE A 53 -11.690 6.168 0.430 1.00 0.00 C ATOM 0 H ILE A 53 -9.897 3.466 2.550 1.00 0.00 H new ATOM 0 HA ILE A 53 -9.997 1.821 0.149 1.00 0.00 H new ATOM 0 HB ILE A 53 -10.863 3.892 -0.893 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -10.675 5.026 1.919 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -9.668 5.501 0.566 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -13.021 3.894 0.304 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -12.394 2.244 0.080 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -12.261 3.039 1.666 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -11.472 7.114 0.925 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -11.659 6.308 -0.651 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -12.682 5.825 0.724 1.00 0.00 H new ATOM 811 N ASP A 54 -8.235 3.245 -1.256 1.00 0.00 N ATOM 812 CA ASP A 54 -6.955 3.592 -1.853 1.00 0.00 C ATOM 813 C ASP A 54 -6.752 5.108 -1.918 1.00 0.00 C ATOM 814 O ASP A 54 -5.699 5.582 -2.326 1.00 0.00 O ATOM 815 CB ASP A 54 -6.837 2.966 -3.246 1.00 0.00 C ATOM 816 CG ASP A 54 -7.880 3.486 -4.217 1.00 0.00 C ATOM 817 OD1 ASP A 54 -9.085 3.394 -3.907 1.00 0.00 O ATOM 818 OD2 ASP A 54 -7.500 3.971 -5.302 1.00 0.00 O ATOM 0 H ASP A 54 -8.955 2.969 -1.924 1.00 0.00 H new ATOM 0 HA ASP A 54 -6.167 3.189 -1.217 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.843 3.167 -3.646 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.934 1.884 -3.162 1.00 0.00 H new ATOM 823 N GLU A 55 -7.739 5.871 -1.467 1.00 0.00 N ATOM 824 CA GLU A 55 -7.661 7.329 -1.527 1.00 0.00 C ATOM 825 C GLU A 55 -6.865 7.890 -0.335 1.00 0.00 C ATOM 826 O GLU A 55 -6.858 9.098 -0.086 1.00 0.00 O ATOM 827 CB GLU A 55 -9.072 7.925 -1.561 1.00 0.00 C ATOM 828 CG GLU A 55 -9.152 9.280 -2.250 1.00 0.00 C ATOM 829 CD GLU A 55 -8.934 9.188 -3.752 1.00 0.00 C ATOM 830 OE1 GLU A 55 -7.766 9.131 -4.191 1.00 0.00 O ATOM 831 OE2 GLU A 55 -9.936 9.185 -4.500 1.00 0.00 O ATOM 0 H GLU A 55 -8.600 5.509 -1.057 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.135 7.610 -2.439 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.738 7.229 -2.071 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.438 8.026 -0.539 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -10.128 9.725 -2.055 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.406 9.947 -1.819 1.00 0.00 H new ATOM 838 N GLU A 56 -6.181 7.007 0.383 1.00 0.00 N ATOM 839 CA GLU A 56 -5.360 7.402 1.527 1.00 0.00 C ATOM 840 C GLU A 56 -3.920 7.691 1.110 1.00 0.00 C ATOM 841 O GLU A 56 -3.375 7.022 0.234 1.00 0.00 O ATOM 842 CB GLU A 56 -5.369 6.297 2.585 1.00 0.00 C ATOM 843 CG GLU A 56 -6.576 6.334 3.501 1.00 0.00 C ATOM 844 CD GLU A 56 -6.556 7.538 4.415 1.00 0.00 C ATOM 845 OE1 GLU A 56 -5.762 7.540 5.379 1.00 0.00 O ATOM 846 OE2 GLU A 56 -7.327 8.487 4.172 1.00 0.00 O ATOM 0 H GLU A 56 -6.178 6.005 0.193 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.788 8.315 1.941 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.334 5.329 2.085 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.465 6.378 3.188 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.486 6.349 2.901 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.604 5.424 4.100 1.00 0.00 H new ATOM 853 N GLU A 57 -3.311 8.688 1.739 1.00 0.00 N ATOM 854 CA GLU A 57 -1.896 8.969 1.532 1.00 0.00 C ATOM 855 C GLU A 57 -1.042 7.954 2.276 1.00 0.00 C ATOM 856 O GLU A 57 -1.519 7.272 3.185 1.00 0.00 O ATOM 857 CB GLU A 57 -1.513 10.374 2.015 1.00 0.00 C ATOM 858 CG GLU A 57 -1.760 11.488 1.012 1.00 0.00 C ATOM 859 CD GLU A 57 -3.224 11.804 0.817 1.00 0.00 C ATOM 860 OE1 GLU A 57 -3.958 11.900 1.824 1.00 0.00 O ATOM 861 OE2 GLU A 57 -3.638 11.993 -0.339 1.00 0.00 O ATOM 0 H GLU A 57 -3.774 9.315 2.396 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.715 8.906 0.459 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.072 10.594 2.924 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.456 10.374 2.283 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.243 12.388 1.345 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.325 11.207 0.053 1.00 0.00 H new ATOM 868 N ILE A 58 0.218 7.864 1.884 1.00 0.00 N ATOM 869 CA ILE A 58 1.182 7.031 2.587 1.00 0.00 C ATOM 870 C ILE A 58 2.095 7.928 3.417 1.00 0.00 C ATOM 871 O ILE A 58 2.456 9.021 2.976 1.00 0.00 O ATOM 872 CB ILE A 58 2.064 6.215 1.612 1.00 0.00 C ATOM 873 CG1 ILE A 58 1.244 5.675 0.430 1.00 0.00 C ATOM 874 CG2 ILE A 58 2.746 5.068 2.349 1.00 0.00 C ATOM 875 CD1 ILE A 58 0.170 4.683 0.819 1.00 0.00 C ATOM 0 H ILE A 58 0.600 8.360 1.079 1.00 0.00 H new ATOM 0 HA ILE A 58 0.625 6.334 3.213 1.00 0.00 H new ATOM 0 HB ILE A 58 2.826 6.884 1.212 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.778 6.514 -0.087 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.921 5.200 -0.280 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.363 4.503 1.651 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.373 5.469 3.145 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.990 4.411 2.779 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.361 4.352 -0.074 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.629 3.823 1.308 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.533 5.158 1.504 1.00 0.00 H new ATOM 887 N PHE A 59 2.454 7.494 4.615 1.00 0.00 N ATOM 888 CA PHE A 59 3.383 8.263 5.433 1.00 0.00 C ATOM 889 C PHE A 59 4.653 7.462 5.706 1.00 0.00 C ATOM 890 O PHE A 59 4.722 6.269 5.410 1.00 0.00 O ATOM 891 CB PHE A 59 2.730 8.741 6.739 1.00 0.00 C ATOM 892 CG PHE A 59 2.201 7.654 7.634 1.00 0.00 C ATOM 893 CD1 PHE A 59 3.005 7.089 8.612 1.00 0.00 C ATOM 894 CD2 PHE A 59 0.890 7.218 7.518 1.00 0.00 C ATOM 895 CE1 PHE A 59 2.516 6.105 9.448 1.00 0.00 C ATOM 896 CE2 PHE A 59 0.395 6.237 8.354 1.00 0.00 C ATOM 897 CZ PHE A 59 1.208 5.681 9.323 1.00 0.00 C ATOM 0 H PHE A 59 2.123 6.627 5.039 1.00 0.00 H new ATOM 0 HA PHE A 59 3.660 9.155 4.871 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.462 9.324 7.298 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.909 9.414 6.490 1.00 0.00 H new ATOM 0 HD1 PHE A 59 4.026 7.423 8.721 1.00 0.00 H new ATOM 0 HD2 PHE A 59 0.248 7.651 6.765 1.00 0.00 H new ATOM 0 HE1 PHE A 59 3.156 5.667 10.199 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -0.627 5.904 8.251 1.00 0.00 H new ATOM 0 HZ PHE A 59 0.821 4.917 9.981 1.00 0.00 H new ATOM 907 N ASP A 60 5.656 8.126 6.259 1.00 0.00 N ATOM 908 CA ASP A 60 6.960 7.513 6.465 1.00 0.00 C ATOM 909 C ASP A 60 6.939 6.597 7.681 1.00 0.00 C ATOM 910 O ASP A 60 6.622 7.026 8.790 1.00 0.00 O ATOM 911 CB ASP A 60 8.027 8.596 6.627 1.00 0.00 C ATOM 912 CG ASP A 60 9.414 8.026 6.835 1.00 0.00 C ATOM 913 OD1 ASP A 60 9.930 7.357 5.918 1.00 0.00 O ATOM 914 OD2 ASP A 60 10.006 8.269 7.906 1.00 0.00 O ATOM 0 H ASP A 60 5.592 9.094 6.575 1.00 0.00 H new ATOM 0 HA ASP A 60 7.203 6.908 5.591 1.00 0.00 H new ATOM 0 HB2 ASP A 60 8.030 9.232 5.742 1.00 0.00 H new ATOM 0 HB3 ASP A 60 7.769 9.230 7.475 1.00 0.00 H new ATOM 919 N GLY A 61 7.269 5.332 7.462 1.00 0.00 N ATOM 920 CA GLY A 61 7.238 4.356 8.531 1.00 0.00 C ATOM 921 C GLY A 61 5.927 3.592 8.574 1.00 0.00 C ATOM 922 O GLY A 61 5.655 2.875 9.538 1.00 0.00 O ATOM 0 H GLY A 61 7.559 4.963 6.557 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.062 3.654 8.403 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.394 4.860 9.485 1.00 0.00 H new ATOM 926 N ASP A 62 5.121 3.739 7.528 1.00 0.00 N ATOM 927 CA ASP A 62 3.820 3.082 7.471 1.00 0.00 C ATOM 928 C ASP A 62 3.962 1.644 6.975 1.00 0.00 C ATOM 929 O ASP A 62 4.973 1.278 6.368 1.00 0.00 O ATOM 930 CB ASP A 62 2.867 3.860 6.559 1.00 0.00 C ATOM 931 CG ASP A 62 1.432 3.384 6.673 1.00 0.00 C ATOM 932 OD1 ASP A 62 1.092 2.752 7.702 1.00 0.00 O ATOM 933 OD2 ASP A 62 0.641 3.652 5.748 1.00 0.00 O ATOM 0 H ASP A 62 5.345 4.306 6.710 1.00 0.00 H new ATOM 0 HA ASP A 62 3.405 3.062 8.479 1.00 0.00 H new ATOM 0 HB2 ASP A 62 2.915 4.920 6.809 1.00 0.00 H new ATOM 0 HB3 ASP A 62 3.198 3.761 5.525 1.00 0.00 H new ATOM 938 N ILE A 63 2.954 0.829 7.243 1.00 0.00 N ATOM 939 CA ILE A 63 2.962 -0.564 6.832 1.00 0.00 C ATOM 940 C ILE A 63 1.674 -0.909 6.095 1.00 0.00 C ATOM 941 O ILE A 63 0.595 -0.937 6.689 1.00 0.00 O ATOM 942 CB ILE A 63 3.141 -1.513 8.037 1.00 0.00 C ATOM 943 CG1 ILE A 63 4.451 -1.190 8.766 1.00 0.00 C ATOM 944 CG2 ILE A 63 3.114 -2.968 7.581 1.00 0.00 C ATOM 945 CD1 ILE A 63 4.826 -2.194 9.830 1.00 0.00 C ATOM 0 H ILE A 63 2.114 1.112 7.748 1.00 0.00 H new ATOM 0 HA ILE A 63 3.811 -0.700 6.162 1.00 0.00 H new ATOM 0 HB ILE A 63 2.313 -1.365 8.731 1.00 0.00 H new ATOM 0 HG12 ILE A 63 5.257 -1.133 8.035 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.366 -0.205 9.224 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.242 -3.622 8.444 1.00 0.00 H new ATOM 0 HG22 ILE A 63 2.158 -3.181 7.102 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.923 -3.142 6.871 1.00 0.00 H new ATOM 0 HD11 ILE A 63 5.764 -1.895 10.298 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.040 -2.235 10.584 1.00 0.00 H new ATOM 0 HD13 ILE A 63 4.945 -3.178 9.376 1.00 0.00 H new ATOM 957 N ILE A 64 1.791 -1.160 4.803 1.00 0.00 N ATOM 958 CA ILE A 64 0.638 -1.495 3.989 1.00 0.00 C ATOM 959 C ILE A 64 0.500 -3.009 3.882 1.00 0.00 C ATOM 960 O ILE A 64 1.369 -3.694 3.339 1.00 0.00 O ATOM 961 CB ILE A 64 0.719 -0.873 2.572 1.00 0.00 C ATOM 962 CG1 ILE A 64 0.612 0.658 2.628 1.00 0.00 C ATOM 963 CG2 ILE A 64 -0.373 -1.436 1.674 1.00 0.00 C ATOM 964 CD1 ILE A 64 1.855 1.356 3.138 1.00 0.00 C ATOM 0 H ILE A 64 2.675 -1.138 4.295 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.240 -1.076 4.480 1.00 0.00 H new ATOM 0 HB ILE A 64 1.691 -1.134 2.154 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.386 1.031 1.629 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.229 0.928 3.267 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.298 -0.986 0.684 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -0.255 -2.516 1.591 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.349 -1.209 2.103 1.00 0.00 H new ATOM 0 HD11 ILE A 64 1.691 2.434 3.144 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.073 1.017 4.151 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.697 1.121 2.487 1.00 0.00 H new ATOM 976 N GLU A 65 -0.586 -3.525 4.423 1.00 0.00 N ATOM 977 CA GLU A 65 -0.852 -4.949 4.382 1.00 0.00 C ATOM 978 C GLU A 65 -1.885 -5.256 3.312 1.00 0.00 C ATOM 979 O GLU A 65 -3.071 -4.978 3.481 1.00 0.00 O ATOM 980 CB GLU A 65 -1.340 -5.454 5.745 1.00 0.00 C ATOM 981 CG GLU A 65 -0.367 -5.190 6.884 1.00 0.00 C ATOM 982 CD GLU A 65 -0.802 -5.838 8.181 1.00 0.00 C ATOM 983 OE1 GLU A 65 -0.571 -7.057 8.344 1.00 0.00 O ATOM 984 OE2 GLU A 65 -1.375 -5.139 9.045 1.00 0.00 O ATOM 0 H GLU A 65 -1.302 -2.976 4.899 1.00 0.00 H new ATOM 0 HA GLU A 65 0.078 -5.464 4.139 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.293 -4.980 5.977 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -1.525 -6.526 5.679 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.619 -5.563 6.608 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.271 -4.115 7.033 1.00 0.00 H new ATOM 991 N VAL A 66 -1.431 -5.806 2.199 1.00 0.00 N ATOM 992 CA VAL A 66 -2.330 -6.174 1.121 1.00 0.00 C ATOM 993 C VAL A 66 -2.663 -7.654 1.211 1.00 0.00 C ATOM 994 O VAL A 66 -1.832 -8.520 0.932 1.00 0.00 O ATOM 995 CB VAL A 66 -1.748 -5.835 -0.271 1.00 0.00 C ATOM 996 CG1 VAL A 66 -2.583 -6.451 -1.386 1.00 0.00 C ATOM 997 CG2 VAL A 66 -1.678 -4.328 -0.450 1.00 0.00 C ATOM 0 H VAL A 66 -0.447 -6.007 2.019 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.241 -5.586 1.236 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.744 -6.256 -0.328 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.147 -6.194 -2.351 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.599 -7.535 -1.272 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.601 -6.066 -1.333 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.267 -4.097 -1.433 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.679 -3.905 -0.367 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.038 -3.899 0.321 1.00 0.00 H new ATOM 1007 N ILE A 67 -3.885 -7.930 1.617 1.00 0.00 N ATOM 1008 CA ILE A 67 -4.329 -9.291 1.822 1.00 0.00 C ATOM 1009 C ILE A 67 -4.985 -9.826 0.560 1.00 0.00 C ATOM 1010 O ILE A 67 -6.166 -9.573 0.306 1.00 0.00 O ATOM 1011 CB ILE A 67 -5.323 -9.406 2.999 1.00 0.00 C ATOM 1012 CG1 ILE A 67 -4.727 -8.779 4.261 1.00 0.00 C ATOM 1013 CG2 ILE A 67 -5.683 -10.866 3.252 1.00 0.00 C ATOM 1014 CD1 ILE A 67 -5.663 -8.775 5.456 1.00 0.00 C ATOM 0 H ILE A 67 -4.593 -7.222 1.813 1.00 0.00 H new ATOM 0 HA ILE A 67 -3.446 -9.883 2.064 1.00 0.00 H new ATOM 0 HB ILE A 67 -6.233 -8.866 2.738 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -3.819 -9.319 4.527 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.434 -7.753 4.040 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -6.384 -10.929 4.084 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -6.142 -11.288 2.358 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.780 -11.427 3.495 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -5.163 -8.314 6.308 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -6.562 -8.209 5.212 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -5.937 -9.800 5.707 1.00 0.00 H new ATOM 1026 N ARG A 68 -4.208 -10.522 -0.254 1.00 0.00 N ATOM 1027 CA ARG A 68 -4.760 -11.195 -1.412 1.00 0.00 C ATOM 1028 C ARG A 68 -5.595 -12.376 -0.939 1.00 0.00 C ATOM 1029 O ARG A 68 -5.117 -13.226 -0.185 1.00 0.00 O ATOM 1030 CB ARG A 68 -3.661 -11.658 -2.376 1.00 0.00 C ATOM 1031 CG ARG A 68 -2.672 -12.638 -1.766 1.00 0.00 C ATOM 1032 CD ARG A 68 -2.455 -13.839 -2.677 1.00 0.00 C ATOM 1033 NE ARG A 68 -3.719 -14.505 -2.997 1.00 0.00 N ATOM 1034 CZ ARG A 68 -3.827 -15.733 -3.508 1.00 0.00 C ATOM 1035 NH1 ARG A 68 -2.746 -16.471 -3.736 1.00 0.00 N ATOM 1036 NH2 ARG A 68 -5.027 -16.223 -3.793 1.00 0.00 N ATOM 0 H ARG A 68 -3.201 -10.634 -0.134 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.387 -10.494 -1.962 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -4.127 -12.122 -3.245 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -3.116 -10.785 -2.735 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -1.721 -12.136 -1.589 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.040 -12.975 -0.797 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -1.970 -13.516 -3.598 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -1.782 -14.547 -2.193 1.00 0.00 H new ATOM 0 HE ARG A 68 -4.582 -13.992 -2.816 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -1.821 -16.100 -3.520 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -2.842 -17.408 -4.127 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -5.861 -15.662 -3.621 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -5.115 -17.161 -4.184 1.00 0.00 H new ATOM 1050 N VAL A 69 -6.842 -12.419 -1.365 1.00 0.00 N ATOM 1051 CA VAL A 69 -7.768 -13.434 -0.889 1.00 0.00 C ATOM 1052 C VAL A 69 -7.603 -14.729 -1.683 1.00 0.00 C ATOM 1053 O VAL A 69 -7.225 -14.707 -2.860 1.00 0.00 O ATOM 1054 CB VAL A 69 -9.235 -12.935 -0.979 1.00 0.00 C ATOM 1055 CG1 VAL A 69 -9.641 -12.684 -2.424 1.00 0.00 C ATOM 1056 CG2 VAL A 69 -10.194 -13.913 -0.311 1.00 0.00 C ATOM 0 H VAL A 69 -7.239 -11.765 -2.039 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.536 -13.633 0.157 1.00 0.00 H new ATOM 0 HB VAL A 69 -9.293 -11.988 -0.442 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -10.673 -12.335 -2.457 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -8.988 -11.927 -2.859 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -9.553 -13.610 -2.993 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -11.213 -13.535 -0.391 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -10.127 -14.883 -0.804 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.929 -14.022 0.741 1.00 0.00 H new ATOM 1066 N ILE A 70 -7.839 -15.854 -1.028 1.00 0.00 N ATOM 1067 CA ILE A 70 -7.869 -17.132 -1.711 1.00 0.00 C ATOM 1068 C ILE A 70 -9.203 -17.282 -2.433 1.00 0.00 C ATOM 1069 O ILE A 70 -10.272 -17.237 -1.819 1.00 0.00 O ATOM 1070 CB ILE A 70 -7.634 -18.313 -0.737 1.00 0.00 C ATOM 1071 CG1 ILE A 70 -7.848 -19.654 -1.451 1.00 0.00 C ATOM 1072 CG2 ILE A 70 -8.533 -18.197 0.487 1.00 0.00 C ATOM 1073 CD1 ILE A 70 -7.558 -20.856 -0.580 1.00 0.00 C ATOM 0 H ILE A 70 -8.012 -15.906 -0.024 1.00 0.00 H new ATOM 0 HA ILE A 70 -7.056 -17.156 -2.436 1.00 0.00 H new ATOM 0 HB ILE A 70 -6.600 -18.272 -0.396 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.879 -19.709 -1.801 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -7.209 -19.692 -2.333 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -8.348 -19.038 1.155 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -8.318 -17.265 1.009 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -9.577 -18.205 0.174 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -7.731 -21.769 -1.150 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -6.519 -20.825 -0.251 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -8.215 -20.842 0.290 1.00 0.00 H new ATOM 1085 N TYR A 71 -9.140 -17.420 -3.745 1.00 0.00 N ATOM 1086 CA TYR A 71 -10.335 -17.391 -4.564 1.00 0.00 C ATOM 1087 C TYR A 71 -10.976 -18.771 -4.617 1.00 0.00 C ATOM 1088 O TYR A 71 -10.441 -19.690 -5.238 1.00 0.00 O ATOM 1089 CB TYR A 71 -9.985 -16.908 -5.972 1.00 0.00 C ATOM 1090 CG TYR A 71 -11.110 -16.189 -6.674 1.00 0.00 C ATOM 1091 CD1 TYR A 71 -12.107 -16.890 -7.339 1.00 0.00 C ATOM 1092 CD2 TYR A 71 -11.163 -14.802 -6.679 1.00 0.00 C ATOM 1093 CE1 TYR A 71 -13.129 -16.225 -7.987 1.00 0.00 C ATOM 1094 CE2 TYR A 71 -12.179 -14.131 -7.327 1.00 0.00 C ATOM 1095 CZ TYR A 71 -13.157 -14.845 -7.981 1.00 0.00 C ATOM 1096 OH TYR A 71 -14.169 -14.177 -8.633 1.00 0.00 O ATOM 0 H TYR A 71 -8.273 -17.553 -4.265 1.00 0.00 H new ATOM 0 HA TYR A 71 -11.052 -16.699 -4.122 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -9.124 -16.242 -5.913 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -9.684 -17.765 -6.574 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -12.083 -17.970 -7.350 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -10.396 -14.239 -6.167 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -13.902 -16.782 -8.496 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -12.207 -13.051 -7.321 1.00 0.00 H new ATOM 0 HH TYR A 71 -14.042 -13.211 -8.531 1.00 0.00 H new ATOM 1106 N GLY A 72 -12.105 -18.916 -3.941 1.00 0.00 N ATOM 1107 CA GLY A 72 -12.821 -20.173 -3.956 1.00 0.00 C ATOM 1108 C GLY A 72 -13.796 -20.260 -5.110 1.00 0.00 C ATOM 1109 O GLY A 72 -13.489 -20.838 -6.151 1.00 0.00 O ATOM 0 H GLY A 72 -12.539 -18.183 -3.381 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -12.108 -20.995 -4.022 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -13.360 -20.293 -3.017 1.00 0.00 H new ATOM 1113 N GLY A 73 -14.969 -19.679 -4.929 1.00 0.00 N ATOM 1114 CA GLY A 73 -15.983 -19.712 -5.959 1.00 0.00 C ATOM 1115 C GLY A 73 -16.398 -18.321 -6.375 1.00 0.00 C ATOM 1116 O GLY A 73 -15.893 -17.819 -7.400 1.00 0.00 O ATOM 1117 OXT GLY A 73 -17.199 -17.703 -5.649 1.00 0.00 O ATOM 0 H GLY A 73 -15.239 -19.181 -4.081 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -15.605 -20.254 -6.826 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -16.853 -20.259 -5.596 1.00 0.00 H new TER 1121 GLY A 73