USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 606 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 13 TYR OH : rot -170:sc= -6.97! USER MOD Set 1.2: A 34 THR OG1 : rot 133:sc= 1.3! USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ -165:sc= 0.00538 (180deg=-0.318) USER MOD Single : A 1 LYS NZ :NH3+ -154:sc= -0.17 (180deg=-0.924) USER MOD Single : A 2 SER OG : rot -48:sc= -4.12! USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 GLN : amide:sc= -8.68! C(o=-8.7!,f=-13!) USER MOD Single : A 24 SER OG : rot 84:sc= -0.233 USER MOD Single : A 25 LYS NZ :NH3+ 161:sc= -0.0537 (180deg=-0.502) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -1.18 K(o=-1.2,f=-2.6!) USER MOD Single : A 38 SER OG : rot -32:sc= 0.722! USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 143:sc= -0.251 (180deg=-1.79!) USER MOD Single : A 44 SER OG : rot 180:sc= 0.0535 USER MOD Single : A 45 THR OG1 : rot 110:sc= -0.134 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -3! K(o=-3!,f=-1.3) USER MOD Single : A 62 SER OG : rot 180:sc= 0.00023 USER MOD Single : A 67 GLN : amide:sc= 0.513 K(o=0.51,f=-0.0067) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -152:sc= -0.706 (180deg=-2.57!) USER MOD Single : A 74 SER OG : rot 97:sc= 0.988 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 10.770 11.042 1.189 1.00 0.00 N ATOM 2 CA MET A 0 11.501 10.055 2.031 1.00 0.00 C ATOM 3 C MET A 0 10.594 9.595 3.175 1.00 0.00 C ATOM 4 O MET A 0 10.035 10.398 3.891 1.00 0.00 O ATOM 5 CB MET A 0 12.755 10.714 2.613 1.00 0.00 C ATOM 6 CG MET A 0 13.997 10.169 1.905 1.00 0.00 C ATOM 7 SD MET A 0 13.915 10.569 0.142 1.00 0.00 S ATOM 8 CE MET A 0 15.353 9.597 -0.373 1.00 0.00 C ATOM 0 H1 MET A 0 11.270 11.165 0.285 1.00 0.00 H new ATOM 0 H2 MET A 0 9.806 10.697 1.008 1.00 0.00 H new ATOM 0 H3 MET A 0 10.723 11.955 1.685 1.00 0.00 H new ATOM 0 HA MET A 0 11.787 9.197 1.423 1.00 0.00 H new ATOM 0 HB2 MET A 0 12.700 11.796 2.491 1.00 0.00 H new ATOM 0 HB3 MET A 0 12.818 10.517 3.683 1.00 0.00 H new ATOM 0 HG2 MET A 0 14.897 10.599 2.344 1.00 0.00 H new ATOM 0 HG3 MET A 0 14.061 9.089 2.041 1.00 0.00 H new ATOM 0 HE1 MET A 0 15.494 9.699 -1.449 1.00 0.00 H new ATOM 0 HE2 MET A 0 16.241 9.958 0.145 1.00 0.00 H new ATOM 0 HE3 MET A 0 15.190 8.548 -0.126 1.00 0.00 H new ATOM 18 N LYS A 1 10.444 8.310 3.353 1.00 0.00 N ATOM 19 CA LYS A 1 9.575 7.805 4.454 1.00 0.00 C ATOM 20 C LYS A 1 10.136 8.262 5.805 1.00 0.00 C ATOM 21 O LYS A 1 10.591 9.380 5.946 1.00 0.00 O ATOM 22 CB LYS A 1 9.514 6.289 4.387 1.00 0.00 C ATOM 23 CG LYS A 1 10.934 5.712 4.395 1.00 0.00 C ATOM 24 CD LYS A 1 10.977 4.449 3.535 1.00 0.00 C ATOM 25 CE LYS A 1 12.420 3.953 3.431 1.00 0.00 C ATOM 26 NZ LYS A 1 13.269 5.013 2.818 1.00 0.00 N ATOM 0 H LYS A 1 10.886 7.588 2.783 1.00 0.00 H new ATOM 0 HA LYS A 1 8.567 8.206 4.344 1.00 0.00 H new ATOM 0 HB2 LYS A 1 8.949 5.901 5.234 1.00 0.00 H new ATOM 0 HB3 LYS A 1 8.990 5.976 3.484 1.00 0.00 H new ATOM 0 HG2 LYS A 1 11.640 6.449 4.012 1.00 0.00 H new ATOM 0 HG3 LYS A 1 11.238 5.480 5.416 1.00 0.00 H new ATOM 0 HD2 LYS A 1 10.346 3.676 3.973 1.00 0.00 H new ATOM 0 HD3 LYS A 1 10.581 4.659 2.542 1.00 0.00 H new ATOM 0 HE2 LYS A 1 12.799 3.696 4.420 1.00 0.00 H new ATOM 0 HE3 LYS A 1 12.461 3.046 2.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 14.088 4.575 2.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 12.712 5.542 2.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 13.601 5.663 3.559 1.00 0.00 H new ATOM 40 N SER A 2 10.116 7.417 6.803 1.00 0.00 N ATOM 41 CA SER A 2 10.654 7.816 8.126 1.00 0.00 C ATOM 42 C SER A 2 11.985 7.069 8.308 1.00 0.00 C ATOM 43 O SER A 2 12.539 6.635 7.323 1.00 0.00 O ATOM 44 CB SER A 2 9.618 7.434 9.184 1.00 0.00 C ATOM 45 OG SER A 2 9.805 6.077 9.556 1.00 0.00 O ATOM 0 H SER A 2 9.748 6.467 6.753 1.00 0.00 H new ATOM 0 HA SER A 2 10.840 8.887 8.213 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.718 8.079 10.057 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.611 7.580 8.793 1.00 0.00 H new ATOM 0 HG SER A 2 9.885 5.525 8.750 1.00 0.00 H new ATOM 51 N PRO A 3 12.483 6.943 9.523 1.00 0.00 N ATOM 52 CA PRO A 3 13.760 6.235 9.763 1.00 0.00 C ATOM 53 C PRO A 3 13.625 4.713 9.528 1.00 0.00 C ATOM 54 O PRO A 3 13.813 3.933 10.439 1.00 0.00 O ATOM 55 CB PRO A 3 14.085 6.501 11.239 1.00 0.00 C ATOM 56 CG PRO A 3 12.913 7.315 11.842 1.00 0.00 C ATOM 57 CD PRO A 3 11.862 7.506 10.739 1.00 0.00 C ATOM 0 HA PRO A 3 14.536 6.585 9.082 1.00 0.00 H new ATOM 0 HB2 PRO A 3 14.215 5.562 11.777 1.00 0.00 H new ATOM 0 HB3 PRO A 3 15.021 7.053 11.331 1.00 0.00 H new ATOM 0 HG2 PRO A 3 12.482 6.790 12.695 1.00 0.00 H new ATOM 0 HG3 PRO A 3 13.265 8.280 12.206 1.00 0.00 H new ATOM 0 HD2 PRO A 3 10.934 6.990 10.984 1.00 0.00 H new ATOM 0 HD3 PRO A 3 11.616 8.559 10.606 1.00 0.00 H new ATOM 65 N GLU A 4 13.324 4.271 8.325 1.00 0.00 N ATOM 66 CA GLU A 4 13.215 2.810 8.069 1.00 0.00 C ATOM 67 C GLU A 4 11.944 2.251 8.707 1.00 0.00 C ATOM 68 O GLU A 4 11.964 1.197 9.312 1.00 0.00 O ATOM 69 CB GLU A 4 14.439 2.098 8.656 1.00 0.00 C ATOM 70 CG GLU A 4 15.706 2.883 8.306 1.00 0.00 C ATOM 71 CD GLU A 4 16.901 2.285 9.053 1.00 0.00 C ATOM 72 OE1 GLU A 4 16.860 2.263 10.272 1.00 0.00 O ATOM 73 OE2 GLU A 4 17.835 1.861 8.393 1.00 0.00 O ATOM 0 H GLU A 4 13.151 4.866 7.515 1.00 0.00 H new ATOM 0 HA GLU A 4 13.171 2.642 6.993 1.00 0.00 H new ATOM 0 HB2 GLU A 4 14.339 2.013 9.738 1.00 0.00 H new ATOM 0 HB3 GLU A 4 14.507 1.084 8.262 1.00 0.00 H new ATOM 0 HG2 GLU A 4 15.882 2.849 7.231 1.00 0.00 H new ATOM 0 HG3 GLU A 4 15.583 3.932 8.576 1.00 0.00 H new ATOM 80 N GLU A 5 10.832 2.927 8.577 1.00 0.00 N ATOM 81 CA GLU A 5 9.587 2.383 9.185 1.00 0.00 C ATOM 82 C GLU A 5 8.580 2.024 8.091 1.00 0.00 C ATOM 83 O GLU A 5 7.775 1.127 8.248 1.00 0.00 O ATOM 84 CB GLU A 5 8.976 3.410 10.122 1.00 0.00 C ATOM 85 CG GLU A 5 8.520 2.725 11.413 1.00 0.00 C ATOM 86 CD GLU A 5 9.383 3.203 12.582 1.00 0.00 C ATOM 87 OE1 GLU A 5 10.583 2.985 12.535 1.00 0.00 O ATOM 88 OE2 GLU A 5 8.829 3.780 13.505 1.00 0.00 O ATOM 0 H GLU A 5 10.734 3.815 8.085 1.00 0.00 H new ATOM 0 HA GLU A 5 9.837 1.484 9.749 1.00 0.00 H new ATOM 0 HB2 GLU A 5 9.705 4.188 10.350 1.00 0.00 H new ATOM 0 HB3 GLU A 5 8.129 3.898 9.639 1.00 0.00 H new ATOM 0 HG2 GLU A 5 7.471 2.952 11.606 1.00 0.00 H new ATOM 0 HG3 GLU A 5 8.598 1.643 11.309 1.00 0.00 H new ATOM 95 N LEU A 6 8.620 2.707 6.980 1.00 0.00 N ATOM 96 CA LEU A 6 7.669 2.390 5.885 1.00 0.00 C ATOM 97 C LEU A 6 8.230 1.246 5.034 1.00 0.00 C ATOM 98 O LEU A 6 7.533 0.305 4.731 1.00 0.00 O ATOM 99 CB LEU A 6 7.378 3.669 5.097 1.00 0.00 C ATOM 100 CG LEU A 6 7.355 3.453 3.591 1.00 0.00 C ATOM 101 CD1 LEU A 6 6.505 2.232 3.223 1.00 0.00 C ATOM 102 CD2 LEU A 6 6.743 4.685 2.931 1.00 0.00 C ATOM 0 H LEU A 6 9.270 3.469 6.786 1.00 0.00 H new ATOM 0 HA LEU A 6 6.714 2.036 6.274 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.417 4.073 5.414 1.00 0.00 H new ATOM 0 HB3 LEU A 6 8.133 4.417 5.339 1.00 0.00 H new ATOM 0 HG LEU A 6 8.376 3.287 3.247 1.00 0.00 H new ATOM 0 HD11 LEU A 6 6.506 2.101 2.141 1.00 0.00 H new ATOM 0 HD12 LEU A 6 6.921 1.343 3.697 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.483 2.383 3.569 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.720 4.545 1.850 1.00 0.00 H new ATOM 0 HD22 LEU A 6 5.728 4.829 3.300 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.344 5.562 3.170 1.00 0.00 H new ATOM 114 N LYS A 7 9.475 1.296 4.647 1.00 0.00 N ATOM 115 CA LYS A 7 10.015 0.172 3.834 1.00 0.00 C ATOM 116 C LYS A 7 9.633 -1.141 4.518 1.00 0.00 C ATOM 117 O LYS A 7 9.515 -2.173 3.887 1.00 0.00 O ATOM 118 CB LYS A 7 11.538 0.271 3.731 1.00 0.00 C ATOM 119 CG LYS A 7 12.029 -0.730 2.677 1.00 0.00 C ATOM 120 CD LYS A 7 13.558 -0.723 2.619 1.00 0.00 C ATOM 121 CE LYS A 7 14.049 -2.048 2.031 1.00 0.00 C ATOM 122 NZ LYS A 7 14.128 -1.934 0.546 1.00 0.00 N ATOM 0 H LYS A 7 10.130 2.050 4.853 1.00 0.00 H new ATOM 0 HA LYS A 7 9.599 0.214 2.828 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.832 1.284 3.456 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.996 0.057 4.697 1.00 0.00 H new ATOM 0 HG2 LYS A 7 11.671 -1.731 2.919 1.00 0.00 H new ATOM 0 HG3 LYS A 7 11.619 -0.473 1.700 1.00 0.00 H new ATOM 0 HD2 LYS A 7 13.906 0.110 2.008 1.00 0.00 H new ATOM 0 HD3 LYS A 7 13.970 -0.580 3.618 1.00 0.00 H new ATOM 0 HE2 LYS A 7 15.028 -2.299 2.440 1.00 0.00 H new ATOM 0 HE3 LYS A 7 13.371 -2.855 2.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 14.462 -2.834 0.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 13.186 -1.713 0.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 14.791 -1.175 0.291 1.00 0.00 H new ATOM 136 N GLY A 8 9.423 -1.103 5.807 1.00 0.00 N ATOM 137 CA GLY A 8 9.030 -2.339 6.539 1.00 0.00 C ATOM 138 C GLY A 8 7.574 -2.673 6.209 1.00 0.00 C ATOM 139 O GLY A 8 7.233 -3.814 5.965 1.00 0.00 O ATOM 0 H GLY A 8 9.507 -0.266 6.385 1.00 0.00 H new ATOM 0 HA2 GLY A 8 9.680 -3.167 6.255 1.00 0.00 H new ATOM 0 HA3 GLY A 8 9.149 -2.194 7.613 1.00 0.00 H new ATOM 143 N ILE A 9 6.714 -1.679 6.198 1.00 0.00 N ATOM 144 CA ILE A 9 5.275 -1.921 5.880 1.00 0.00 C ATOM 145 C ILE A 9 5.169 -2.978 4.791 1.00 0.00 C ATOM 146 O ILE A 9 4.443 -3.940 4.902 1.00 0.00 O ATOM 147 CB ILE A 9 4.628 -0.616 5.405 1.00 0.00 C ATOM 148 CG1 ILE A 9 3.147 -0.697 5.683 1.00 0.00 C ATOM 149 CG2 ILE A 9 4.832 -0.403 3.903 1.00 0.00 C ATOM 150 CD1 ILE A 9 2.732 0.470 6.584 1.00 0.00 C ATOM 0 H ILE A 9 6.952 -0.707 6.397 1.00 0.00 H new ATOM 0 HA ILE A 9 4.757 -2.271 6.773 1.00 0.00 H new ATOM 0 HB ILE A 9 5.091 0.217 5.934 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.588 -0.665 4.748 1.00 0.00 H new ATOM 0 HG13 ILE A 9 2.908 -1.645 6.165 1.00 0.00 H new ATOM 0 HG21 ILE A 9 4.360 0.532 3.601 1.00 0.00 H new ATOM 0 HG22 ILE A 9 5.899 -0.359 3.683 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.383 -1.230 3.354 1.00 0.00 H new ATOM 0 HD11 ILE A 9 1.662 0.412 6.785 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.281 0.417 7.524 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.957 1.413 6.085 1.00 0.00 H new ATOM 162 N PHE A 10 5.908 -2.812 3.745 1.00 0.00 N ATOM 163 CA PHE A 10 5.882 -3.819 2.664 1.00 0.00 C ATOM 164 C PHE A 10 5.892 -5.260 3.202 1.00 0.00 C ATOM 165 O PHE A 10 4.886 -5.915 3.228 1.00 0.00 O ATOM 166 CB PHE A 10 7.057 -3.593 1.705 1.00 0.00 C ATOM 167 CG PHE A 10 6.584 -3.319 0.313 1.00 0.00 C ATOM 168 CD1 PHE A 10 5.322 -2.788 0.029 1.00 0.00 C ATOM 169 CD2 PHE A 10 7.413 -3.755 -0.716 1.00 0.00 C ATOM 170 CE1 PHE A 10 4.901 -2.706 -1.305 1.00 0.00 C ATOM 171 CE2 PHE A 10 7.006 -3.647 -2.030 1.00 0.00 C ATOM 172 CZ PHE A 10 5.757 -3.140 -2.331 1.00 0.00 C ATOM 0 H PHE A 10 6.532 -2.020 3.590 1.00 0.00 H new ATOM 0 HA PHE A 10 4.944 -3.691 2.123 1.00 0.00 H new ATOM 0 HB2 PHE A 10 7.659 -2.756 2.057 1.00 0.00 H new ATOM 0 HB3 PHE A 10 7.702 -4.472 1.705 1.00 0.00 H new ATOM 0 HD1 PHE A 10 4.680 -2.446 0.827 1.00 0.00 H new ATOM 0 HD2 PHE A 10 8.379 -4.180 -0.485 1.00 0.00 H new ATOM 0 HE1 PHE A 10 3.924 -2.311 -1.543 1.00 0.00 H new ATOM 0 HE2 PHE A 10 7.666 -3.960 -2.826 1.00 0.00 H new ATOM 0 HZ PHE A 10 5.437 -3.077 -3.360 1.00 0.00 H new ATOM 182 N GLU A 11 7.010 -5.764 3.618 1.00 0.00 N ATOM 183 CA GLU A 11 7.064 -7.179 4.129 1.00 0.00 C ATOM 184 C GLU A 11 5.953 -7.434 5.161 1.00 0.00 C ATOM 185 O GLU A 11 5.641 -8.560 5.497 1.00 0.00 O ATOM 186 CB GLU A 11 8.433 -7.439 4.769 1.00 0.00 C ATOM 187 CG GLU A 11 8.463 -6.867 6.190 1.00 0.00 C ATOM 188 CD GLU A 11 8.384 -8.012 7.200 1.00 0.00 C ATOM 189 OE1 GLU A 11 8.287 -9.151 6.771 1.00 0.00 O ATOM 190 OE2 GLU A 11 8.420 -7.733 8.387 1.00 0.00 O ATOM 0 H GLU A 11 7.900 -5.266 3.632 1.00 0.00 H new ATOM 0 HA GLU A 11 6.913 -7.857 3.289 1.00 0.00 H new ATOM 0 HB2 GLU A 11 8.634 -8.510 4.795 1.00 0.00 H new ATOM 0 HB3 GLU A 11 9.218 -6.981 4.167 1.00 0.00 H new ATOM 0 HG2 GLU A 11 9.377 -6.294 6.344 1.00 0.00 H new ATOM 0 HG3 GLU A 11 7.629 -6.181 6.335 1.00 0.00 H new ATOM 197 N LYS A 12 5.370 -6.392 5.659 1.00 0.00 N ATOM 198 CA LYS A 12 4.274 -6.529 6.677 1.00 0.00 C ATOM 199 C LYS A 12 2.953 -6.825 5.964 1.00 0.00 C ATOM 200 O LYS A 12 2.519 -7.957 5.898 1.00 0.00 O ATOM 201 CB LYS A 12 4.143 -5.237 7.495 1.00 0.00 C ATOM 202 CG LYS A 12 2.947 -5.356 8.442 1.00 0.00 C ATOM 203 CD LYS A 12 3.432 -5.319 9.892 1.00 0.00 C ATOM 204 CE LYS A 12 3.987 -6.690 10.281 1.00 0.00 C ATOM 205 NZ LYS A 12 5.018 -6.528 11.346 1.00 0.00 N ATOM 0 H LYS A 12 5.601 -5.431 5.408 1.00 0.00 H new ATOM 0 HA LYS A 12 4.517 -7.348 7.354 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.056 -5.059 8.064 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.011 -4.384 6.830 1.00 0.00 H new ATOM 0 HG2 LYS A 12 2.246 -4.541 8.262 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.411 -6.286 8.251 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.202 -4.557 10.009 1.00 0.00 H new ATOM 0 HD3 LYS A 12 2.610 -5.047 10.554 1.00 0.00 H new ATOM 0 HE2 LYS A 12 3.181 -7.333 10.636 1.00 0.00 H new ATOM 0 HE3 LYS A 12 4.423 -7.178 9.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 5.394 -7.461 11.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 5.792 -5.930 10.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 4.588 -6.080 12.180 1.00 0.00 H new ATOM 219 N TYR A 13 2.319 -5.825 5.399 1.00 0.00 N ATOM 220 CA TYR A 13 1.048 -6.088 4.666 1.00 0.00 C ATOM 221 C TYR A 13 1.454 -6.704 3.340 1.00 0.00 C ATOM 222 O TYR A 13 0.874 -7.671 2.887 1.00 0.00 O ATOM 223 CB TYR A 13 0.270 -4.787 4.444 1.00 0.00 C ATOM 224 CG TYR A 13 0.130 -4.078 5.765 1.00 0.00 C ATOM 225 CD1 TYR A 13 1.119 -3.185 6.167 1.00 0.00 C ATOM 226 CD2 TYR A 13 -0.969 -4.332 6.599 1.00 0.00 C ATOM 227 CE1 TYR A 13 1.021 -2.536 7.398 1.00 0.00 C ATOM 228 CE2 TYR A 13 -1.066 -3.688 7.837 1.00 0.00 C ATOM 229 CZ TYR A 13 -0.068 -2.788 8.234 1.00 0.00 C ATOM 230 OH TYR A 13 -0.150 -2.157 9.455 1.00 0.00 O ATOM 0 H TYR A 13 2.624 -4.852 5.415 1.00 0.00 H new ATOM 0 HA TYR A 13 0.392 -6.751 5.230 1.00 0.00 H new ATOM 0 HB2 TYR A 13 0.792 -4.152 3.728 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -0.713 -5.001 4.024 1.00 0.00 H new ATOM 0 HD1 TYR A 13 1.965 -2.994 5.524 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.738 -5.023 6.286 1.00 0.00 H new ATOM 0 HE1 TYR A 13 1.787 -1.839 7.704 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.908 -3.884 8.485 1.00 0.00 H new ATOM 0 HH TYR A 13 -0.880 -2.550 9.978 1.00 0.00 H new ATOM 240 N ALA A 14 2.516 -6.214 2.758 1.00 0.00 N ATOM 241 CA ALA A 14 3.012 -6.859 1.523 1.00 0.00 C ATOM 242 C ALA A 14 3.663 -8.146 2.017 1.00 0.00 C ATOM 243 O ALA A 14 4.573 -8.096 2.812 1.00 0.00 O ATOM 244 CB ALA A 14 4.058 -5.965 0.821 1.00 0.00 C ATOM 0 H ALA A 14 3.050 -5.408 3.083 1.00 0.00 H new ATOM 0 HA ALA A 14 2.219 -7.035 0.796 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.409 -6.459 -0.085 1.00 0.00 H new ATOM 0 HB2 ALA A 14 3.603 -5.009 0.560 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.900 -5.795 1.492 1.00 0.00 H new ATOM 250 N ASP A 15 3.194 -9.292 1.600 1.00 0.00 N ATOM 251 CA ASP A 15 3.792 -10.579 2.096 1.00 0.00 C ATOM 252 C ASP A 15 2.842 -11.763 1.805 1.00 0.00 C ATOM 253 O ASP A 15 3.119 -12.886 2.175 1.00 0.00 O ATOM 254 CB ASP A 15 3.968 -10.523 3.618 1.00 0.00 C ATOM 255 CG ASP A 15 5.019 -11.546 4.046 1.00 0.00 C ATOM 256 OD1 ASP A 15 4.666 -12.704 4.194 1.00 0.00 O ATOM 257 OD2 ASP A 15 6.161 -11.154 4.217 1.00 0.00 O ATOM 0 H ASP A 15 2.425 -9.399 0.939 1.00 0.00 H new ATOM 0 HA ASP A 15 4.748 -10.714 1.591 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.274 -9.522 3.923 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.019 -10.731 4.113 1.00 0.00 H new ATOM 262 N LYS A 16 1.709 -11.516 1.194 1.00 0.00 N ATOM 263 CA LYS A 16 0.729 -12.612 0.930 1.00 0.00 C ATOM 264 C LYS A 16 1.438 -13.899 0.514 1.00 0.00 C ATOM 265 O LYS A 16 1.317 -14.919 1.164 1.00 0.00 O ATOM 266 CB LYS A 16 -0.220 -12.176 -0.186 1.00 0.00 C ATOM 267 CG LYS A 16 -1.656 -12.530 0.201 1.00 0.00 C ATOM 268 CD LYS A 16 -2.409 -11.256 0.593 1.00 0.00 C ATOM 269 CE LYS A 16 -3.826 -11.298 0.012 1.00 0.00 C ATOM 270 NZ LYS A 16 -4.760 -11.888 1.014 1.00 0.00 N ATOM 0 H LYS A 16 1.420 -10.595 0.865 1.00 0.00 H new ATOM 0 HA LYS A 16 0.174 -12.808 1.848 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.131 -11.103 -0.355 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.049 -12.669 -1.120 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.158 -13.020 -0.633 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.656 -13.235 1.032 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.453 -11.166 1.678 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.879 -10.379 0.222 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.151 -10.292 -0.255 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.837 -11.890 -0.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.721 -11.916 0.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.454 -12.854 1.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.757 -11.306 1.876 1.00 0.00 H new ATOM 284 N GLU A 17 2.161 -13.873 -0.566 1.00 0.00 N ATOM 285 CA GLU A 17 2.850 -15.117 -1.020 1.00 0.00 C ATOM 286 C GLU A 17 4.111 -15.334 -0.185 1.00 0.00 C ATOM 287 O GLU A 17 4.661 -16.417 -0.138 1.00 0.00 O ATOM 288 CB GLU A 17 3.192 -14.996 -2.517 1.00 0.00 C ATOM 289 CG GLU A 17 4.625 -14.482 -2.714 1.00 0.00 C ATOM 290 CD GLU A 17 4.955 -14.454 -4.208 1.00 0.00 C ATOM 291 OE1 GLU A 17 4.045 -14.235 -4.990 1.00 0.00 O ATOM 292 OE2 GLU A 17 6.111 -14.652 -4.543 1.00 0.00 O ATOM 0 H GLU A 17 2.307 -13.052 -1.154 1.00 0.00 H new ATOM 0 HA GLU A 17 2.195 -15.978 -0.884 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.081 -15.967 -2.999 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.489 -14.318 -3.001 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.726 -13.483 -2.289 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.329 -15.125 -2.187 1.00 0.00 H new ATOM 299 N GLY A 18 4.569 -14.316 0.479 1.00 0.00 N ATOM 300 CA GLY A 18 5.787 -14.464 1.314 1.00 0.00 C ATOM 301 C GLY A 18 6.797 -13.393 0.920 1.00 0.00 C ATOM 302 O GLY A 18 7.555 -12.914 1.739 1.00 0.00 O ATOM 0 H GLY A 18 4.152 -13.385 0.480 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.532 -14.370 2.370 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.218 -15.456 1.177 1.00 0.00 H new ATOM 306 N ASP A 19 6.818 -13.020 -0.332 1.00 0.00 N ATOM 307 CA ASP A 19 7.790 -11.976 -0.774 1.00 0.00 C ATOM 308 C ASP A 19 7.820 -10.861 0.260 1.00 0.00 C ATOM 309 O ASP A 19 8.768 -10.693 1.000 1.00 0.00 O ATOM 310 CB ASP A 19 7.376 -11.363 -2.123 1.00 0.00 C ATOM 311 CG ASP A 19 8.617 -11.206 -3.006 1.00 0.00 C ATOM 312 OD1 ASP A 19 9.705 -11.143 -2.458 1.00 0.00 O ATOM 313 OD2 ASP A 19 8.457 -11.152 -4.214 1.00 0.00 O ATOM 0 H ASP A 19 6.210 -13.389 -1.063 1.00 0.00 H new ATOM 0 HA ASP A 19 8.768 -12.446 -0.882 1.00 0.00 H new ATOM 0 HB2 ASP A 19 6.642 -12.001 -2.616 1.00 0.00 H new ATOM 0 HB3 ASP A 19 6.902 -10.394 -1.966 1.00 0.00 H new ATOM 318 N GLY A 20 6.794 -10.077 0.272 1.00 0.00 N ATOM 319 CA GLY A 20 6.724 -8.924 1.197 1.00 0.00 C ATOM 320 C GLY A 20 7.203 -7.711 0.420 1.00 0.00 C ATOM 321 O GLY A 20 7.403 -6.641 0.960 1.00 0.00 O ATOM 0 H GLY A 20 5.981 -10.187 -0.333 1.00 0.00 H new ATOM 0 HA2 GLY A 20 5.705 -8.777 1.555 1.00 0.00 H new ATOM 0 HA3 GLY A 20 7.349 -9.093 2.074 1.00 0.00 H new ATOM 325 N ASN A 21 7.401 -7.888 -0.863 1.00 0.00 N ATOM 326 CA ASN A 21 7.874 -6.797 -1.703 1.00 0.00 C ATOM 327 C ASN A 21 6.772 -6.369 -2.689 1.00 0.00 C ATOM 328 O ASN A 21 7.005 -5.626 -3.619 1.00 0.00 O ATOM 329 CB ASN A 21 9.087 -7.301 -2.463 1.00 0.00 C ATOM 330 CG ASN A 21 10.320 -7.222 -1.564 1.00 0.00 C ATOM 331 OD1 ASN A 21 10.937 -6.181 -1.446 1.00 0.00 O ATOM 332 ND2 ASN A 21 10.706 -8.289 -0.921 1.00 0.00 N ATOM 0 H ASN A 21 7.245 -8.769 -1.353 1.00 0.00 H new ATOM 0 HA ASN A 21 8.134 -5.931 -1.095 1.00 0.00 H new ATOM 0 HB2 ASN A 21 8.925 -8.329 -2.787 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.240 -6.704 -3.362 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.527 -8.251 -0.317 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.187 -9.161 -1.022 1.00 0.00 H new ATOM 339 N GLN A 22 5.571 -6.830 -2.492 1.00 0.00 N ATOM 340 CA GLN A 22 4.446 -6.427 -3.393 1.00 0.00 C ATOM 341 C GLN A 22 3.158 -6.385 -2.567 1.00 0.00 C ATOM 342 O GLN A 22 2.951 -7.184 -1.674 1.00 0.00 O ATOM 343 CB GLN A 22 4.279 -7.385 -4.577 1.00 0.00 C ATOM 344 CG GLN A 22 5.561 -8.183 -4.822 1.00 0.00 C ATOM 345 CD GLN A 22 5.553 -9.447 -3.959 1.00 0.00 C ATOM 346 OE1 GLN A 22 6.247 -10.401 -4.252 1.00 0.00 O ATOM 347 NE2 GLN A 22 4.789 -9.497 -2.902 1.00 0.00 N ATOM 0 H GLN A 22 5.314 -7.473 -1.743 1.00 0.00 H new ATOM 0 HA GLN A 22 4.671 -5.446 -3.811 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.453 -8.069 -4.382 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.021 -6.820 -5.473 1.00 0.00 H new ATOM 0 HG2 GLN A 22 5.639 -8.451 -5.876 1.00 0.00 H new ATOM 0 HG3 GLN A 22 6.432 -7.573 -4.583 1.00 0.00 H new ATOM 0 HE21 GLN A 22 4.206 -8.697 -2.656 1.00 0.00 H new ATOM 0 HE22 GLN A 22 4.775 -10.336 -2.322 1.00 0.00 H new ATOM 356 N LEU A 23 2.320 -5.425 -2.826 1.00 0.00 N ATOM 357 CA LEU A 23 1.070 -5.271 -2.027 1.00 0.00 C ATOM 358 C LEU A 23 -0.187 -5.556 -2.867 1.00 0.00 C ATOM 359 O LEU A 23 -0.122 -6.115 -3.937 1.00 0.00 O ATOM 360 CB LEU A 23 1.043 -3.824 -1.529 1.00 0.00 C ATOM 361 CG LEU A 23 1.509 -3.792 -0.081 1.00 0.00 C ATOM 362 CD1 LEU A 23 1.820 -2.352 0.328 1.00 0.00 C ATOM 363 CD2 LEU A 23 0.413 -4.359 0.827 1.00 0.00 C ATOM 0 H LEU A 23 2.446 -4.732 -3.564 1.00 0.00 H new ATOM 0 HA LEU A 23 1.066 -5.986 -1.204 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.689 -3.201 -2.147 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.035 -3.416 -1.610 1.00 0.00 H new ATOM 0 HG LEU A 23 2.409 -4.398 0.020 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.153 -2.332 1.366 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.606 -1.953 -0.313 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.923 -1.742 0.224 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.750 -4.335 1.863 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.491 -3.758 0.725 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.199 -5.388 0.539 1.00 0.00 H new ATOM 375 N SER A 24 -1.338 -5.170 -2.366 1.00 0.00 N ATOM 376 CA SER A 24 -2.599 -5.368 -3.071 1.00 0.00 C ATOM 377 C SER A 24 -3.571 -4.333 -2.495 1.00 0.00 C ATOM 378 O SER A 24 -3.264 -3.670 -1.524 1.00 0.00 O ATOM 379 CB SER A 24 -3.117 -6.773 -2.803 1.00 0.00 C ATOM 380 OG SER A 24 -2.047 -7.586 -2.342 1.00 0.00 O ATOM 0 H SER A 24 -1.434 -4.710 -1.461 1.00 0.00 H new ATOM 0 HA SER A 24 -2.484 -5.251 -4.149 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.914 -6.744 -2.060 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.545 -7.195 -3.712 1.00 0.00 H new ATOM 0 HG SER A 24 -1.934 -7.461 -1.377 1.00 0.00 H new ATOM 386 N LYS A 25 -4.728 -4.178 -3.058 1.00 0.00 N ATOM 387 CA LYS A 25 -5.683 -3.177 -2.507 1.00 0.00 C ATOM 388 C LYS A 25 -6.257 -3.700 -1.191 1.00 0.00 C ATOM 389 O LYS A 25 -6.748 -2.948 -0.372 1.00 0.00 O ATOM 390 CB LYS A 25 -6.816 -2.940 -3.503 1.00 0.00 C ATOM 391 CG LYS A 25 -7.240 -1.469 -3.455 1.00 0.00 C ATOM 392 CD LYS A 25 -7.441 -0.946 -4.879 1.00 0.00 C ATOM 393 CE LYS A 25 -8.492 -1.798 -5.594 1.00 0.00 C ATOM 394 NZ LYS A 25 -9.779 -1.724 -4.849 1.00 0.00 N ATOM 0 H LYS A 25 -5.058 -4.696 -3.872 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.162 -2.236 -2.331 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.490 -3.203 -4.509 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.664 -3.582 -3.265 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.163 -1.365 -2.885 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.481 -0.878 -2.943 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -7.759 0.096 -4.853 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -6.499 -0.978 -5.426 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -8.630 -1.444 -6.616 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -8.155 -2.833 -5.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -10.558 -2.017 -5.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -9.739 -2.356 -4.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -9.940 -0.747 -4.530 1.00 0.00 H new ATOM 408 N GLU A 26 -6.198 -4.985 -0.982 1.00 0.00 N ATOM 409 CA GLU A 26 -6.735 -5.565 0.278 1.00 0.00 C ATOM 410 C GLU A 26 -5.714 -5.393 1.405 1.00 0.00 C ATOM 411 O GLU A 26 -5.899 -5.891 2.497 1.00 0.00 O ATOM 412 CB GLU A 26 -7.003 -7.057 0.071 1.00 0.00 C ATOM 413 CG GLU A 26 -8.393 -7.409 0.598 1.00 0.00 C ATOM 414 CD GLU A 26 -9.191 -8.112 -0.502 1.00 0.00 C ATOM 415 OE1 GLU A 26 -8.991 -7.777 -1.657 1.00 0.00 O ATOM 416 OE2 GLU A 26 -9.987 -8.974 -0.169 1.00 0.00 O ATOM 0 H GLU A 26 -5.799 -5.661 -1.633 1.00 0.00 H new ATOM 0 HA GLU A 26 -7.659 -5.053 0.545 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.931 -7.306 -0.988 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.247 -7.647 0.589 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.310 -8.055 1.472 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -8.912 -6.506 0.918 1.00 0.00 H new ATOM 423 N GLU A 27 -4.627 -4.709 1.156 1.00 0.00 N ATOM 424 CA GLU A 27 -3.609 -4.545 2.233 1.00 0.00 C ATOM 425 C GLU A 27 -3.040 -3.119 2.248 1.00 0.00 C ATOM 426 O GLU A 27 -2.095 -2.835 2.956 1.00 0.00 O ATOM 427 CB GLU A 27 -2.483 -5.555 2.015 1.00 0.00 C ATOM 428 CG GLU A 27 -3.074 -6.863 1.484 1.00 0.00 C ATOM 429 CD GLU A 27 -1.981 -7.930 1.418 1.00 0.00 C ATOM 430 OE1 GLU A 27 -1.056 -7.757 0.642 1.00 0.00 O ATOM 431 OE2 GLU A 27 -2.089 -8.906 2.144 1.00 0.00 O ATOM 0 H GLU A 27 -4.403 -4.263 0.266 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.087 -4.723 3.196 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.754 -5.158 1.308 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.954 -5.735 2.951 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.884 -7.197 2.132 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.502 -6.705 0.494 1.00 0.00 H new ATOM 438 N LEU A 28 -3.622 -2.210 1.514 1.00 0.00 N ATOM 439 CA LEU A 28 -3.132 -0.814 1.536 1.00 0.00 C ATOM 440 C LEU A 28 -3.969 -0.103 2.600 1.00 0.00 C ATOM 441 O LEU A 28 -3.479 0.648 3.414 1.00 0.00 O ATOM 442 CB LEU A 28 -3.316 -0.229 0.131 1.00 0.00 C ATOM 443 CG LEU A 28 -3.863 1.197 0.185 1.00 0.00 C ATOM 444 CD1 LEU A 28 -2.790 2.146 0.725 1.00 0.00 C ATOM 445 CD2 LEU A 28 -4.261 1.637 -1.228 1.00 0.00 C ATOM 0 H LEU A 28 -4.418 -2.381 0.900 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.076 -0.712 1.785 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.361 -0.234 -0.394 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.997 -0.860 -0.440 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.732 1.225 0.842 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.186 3.161 0.761 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.500 1.834 1.728 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.919 2.120 0.071 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.652 2.654 -1.196 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.387 1.605 -1.879 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.027 0.966 -1.616 1.00 0.00 H new ATOM 457 N LYS A 29 -5.232 -0.415 2.613 1.00 0.00 N ATOM 458 CA LYS A 29 -6.169 0.101 3.603 1.00 0.00 C ATOM 459 C LYS A 29 -5.641 -0.203 5.017 1.00 0.00 C ATOM 460 O LYS A 29 -5.488 0.678 5.840 1.00 0.00 O ATOM 461 CB LYS A 29 -7.437 -0.676 3.361 1.00 0.00 C ATOM 462 CG LYS A 29 -8.486 -0.142 4.287 1.00 0.00 C ATOM 463 CD LYS A 29 -9.864 -0.481 3.736 1.00 0.00 C ATOM 464 CE LYS A 29 -10.770 -1.008 4.873 1.00 0.00 C ATOM 465 NZ LYS A 29 -12.162 -1.158 4.362 1.00 0.00 N ATOM 0 H LYS A 29 -5.659 -1.043 1.932 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.315 1.178 3.524 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.755 -0.574 2.324 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.274 -1.739 3.541 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.363 -0.572 5.281 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.379 0.938 4.392 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.312 0.403 3.283 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.777 -1.232 2.951 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.398 -1.966 5.236 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.752 -0.319 5.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.775 -1.512 5.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.513 -0.235 4.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.170 -1.831 3.569 1.00 0.00 H new ATOM 479 N LEU A 30 -5.356 -1.458 5.297 1.00 0.00 N ATOM 480 CA LEU A 30 -4.830 -1.842 6.648 1.00 0.00 C ATOM 481 C LEU A 30 -3.438 -1.245 6.844 1.00 0.00 C ATOM 482 O LEU A 30 -2.890 -1.240 7.925 1.00 0.00 O ATOM 483 CB LEU A 30 -4.757 -3.366 6.741 1.00 0.00 C ATOM 484 CG LEU A 30 -6.132 -3.955 6.426 1.00 0.00 C ATOM 485 CD1 LEU A 30 -6.094 -4.639 5.061 1.00 0.00 C ATOM 486 CD2 LEU A 30 -6.505 -4.981 7.495 1.00 0.00 C ATOM 0 H LEU A 30 -5.466 -2.234 4.644 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.494 -1.460 7.424 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.015 -3.750 6.041 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.439 -3.667 7.739 1.00 0.00 H new ATOM 0 HG LEU A 30 -6.873 -3.156 6.413 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.075 -5.059 4.837 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.828 -3.910 4.296 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.352 -5.437 5.075 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.485 -5.401 7.270 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.763 -5.779 7.508 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -6.533 -4.496 8.471 1.00 0.00 H new ATOM 498 N LEU A 31 -2.884 -0.729 5.796 1.00 0.00 N ATOM 499 CA LEU A 31 -1.544 -0.099 5.851 1.00 0.00 C ATOM 500 C LEU A 31 -1.691 1.283 6.454 1.00 0.00 C ATOM 501 O LEU A 31 -0.983 1.680 7.360 1.00 0.00 O ATOM 502 CB LEU A 31 -1.075 0.076 4.420 1.00 0.00 C ATOM 503 CG LEU A 31 0.370 -0.384 4.269 1.00 0.00 C ATOM 504 CD1 LEU A 31 0.402 -1.757 3.594 1.00 0.00 C ATOM 505 CD2 LEU A 31 1.124 0.629 3.404 1.00 0.00 C ATOM 0 H LEU A 31 -3.317 -0.716 4.872 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.850 -0.703 6.436 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.716 -0.496 3.749 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.161 1.123 4.129 1.00 0.00 H new ATOM 0 HG LEU A 31 0.840 -0.456 5.250 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.436 -2.085 3.486 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.145 -2.475 4.204 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.062 -1.689 2.610 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.160 0.310 3.289 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.653 0.692 2.423 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.097 1.608 3.883 1.00 0.00 H new ATOM 517 N LEU A 32 -2.616 2.015 5.920 1.00 0.00 N ATOM 518 CA LEU A 32 -2.867 3.391 6.390 1.00 0.00 C ATOM 519 C LEU A 32 -3.432 3.343 7.796 1.00 0.00 C ATOM 520 O LEU A 32 -2.837 3.809 8.721 1.00 0.00 O ATOM 521 CB LEU A 32 -3.875 4.061 5.486 1.00 0.00 C ATOM 522 CG LEU A 32 -3.773 3.529 4.060 1.00 0.00 C ATOM 523 CD1 LEU A 32 -4.378 4.563 3.152 1.00 0.00 C ATOM 524 CD2 LEU A 32 -2.314 3.301 3.645 1.00 0.00 C ATOM 0 H LEU A 32 -3.222 1.708 5.159 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.932 3.951 6.379 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.881 3.892 5.870 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.710 5.138 5.488 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.292 2.573 3.995 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.323 4.217 2.120 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.421 4.723 3.426 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.829 5.500 3.251 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.281 2.922 2.624 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.769 4.243 3.700 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.854 2.576 4.316 1.00 0.00 H new ATOM 536 N GLN A 33 -4.592 2.782 7.940 1.00 0.00 N ATOM 537 CA GLN A 33 -5.241 2.701 9.313 1.00 0.00 C ATOM 538 C GLN A 33 -4.280 2.157 10.365 1.00 0.00 C ATOM 539 O GLN A 33 -4.261 2.631 11.482 1.00 0.00 O ATOM 540 CB GLN A 33 -6.467 1.780 9.257 1.00 0.00 C ATOM 541 CG GLN A 33 -7.501 2.323 8.269 1.00 0.00 C ATOM 542 CD GLN A 33 -8.906 2.003 8.778 1.00 0.00 C ATOM 543 OE1 GLN A 33 -9.661 2.891 9.119 1.00 0.00 O ATOM 544 NE2 GLN A 33 -9.291 0.758 8.843 1.00 0.00 N ATOM 0 H GLN A 33 -5.135 2.370 7.181 1.00 0.00 H new ATOM 0 HA GLN A 33 -5.530 3.714 9.593 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -6.162 0.777 8.959 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -6.912 1.696 10.249 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -7.380 3.400 8.155 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -7.349 1.879 7.285 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -8.657 0.012 8.557 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -10.226 0.530 9.180 1.00 0.00 H new ATOM 553 N THR A 34 -3.502 1.170 10.061 1.00 0.00 N ATOM 554 CA THR A 34 -2.587 0.637 11.107 1.00 0.00 C ATOM 555 C THR A 34 -1.866 1.799 11.798 1.00 0.00 C ATOM 556 O THR A 34 -1.586 1.753 12.979 1.00 0.00 O ATOM 557 CB THR A 34 -1.572 -0.305 10.474 1.00 0.00 C ATOM 558 OG1 THR A 34 -2.230 -1.513 10.117 1.00 0.00 O ATOM 559 CG2 THR A 34 -0.457 -0.606 11.474 1.00 0.00 C ATOM 0 H THR A 34 -3.454 0.711 9.151 1.00 0.00 H new ATOM 0 HA THR A 34 -3.166 0.085 11.847 1.00 0.00 H new ATOM 0 HB THR A 34 -1.139 0.159 9.587 1.00 0.00 H new ATOM 0 HG1 THR A 34 -1.984 -1.761 9.201 1.00 0.00 H new ATOM 0 HG21 THR A 34 0.268 -1.280 11.018 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.039 0.323 11.757 1.00 0.00 H new ATOM 0 HG23 THR A 34 -0.881 -1.075 12.362 1.00 0.00 H new ATOM 567 N GLU A 35 -1.569 2.839 11.070 1.00 0.00 N ATOM 568 CA GLU A 35 -0.869 4.007 11.677 1.00 0.00 C ATOM 569 C GLU A 35 -1.844 5.182 11.854 1.00 0.00 C ATOM 570 O GLU A 35 -1.868 5.820 12.888 1.00 0.00 O ATOM 571 CB GLU A 35 0.283 4.438 10.764 1.00 0.00 C ATOM 572 CG GLU A 35 1.315 3.311 10.669 1.00 0.00 C ATOM 573 CD GLU A 35 2.653 3.791 11.236 1.00 0.00 C ATOM 574 OE1 GLU A 35 2.652 4.325 12.333 1.00 0.00 O ATOM 575 OE2 GLU A 35 3.656 3.616 10.563 1.00 0.00 O ATOM 0 H GLU A 35 -1.782 2.931 10.077 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.482 3.718 12.654 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.098 4.680 9.772 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.751 5.341 11.155 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.967 2.438 11.221 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.438 3.003 9.631 1.00 0.00 H new ATOM 582 N PHE A 36 -2.635 5.495 10.854 1.00 0.00 N ATOM 583 CA PHE A 36 -3.568 6.633 10.972 1.00 0.00 C ATOM 584 C PHE A 36 -4.927 6.238 10.396 1.00 0.00 C ATOM 585 O PHE A 36 -5.193 6.581 9.267 1.00 0.00 O ATOM 586 CB PHE A 36 -3.032 7.826 10.159 1.00 0.00 C ATOM 587 CG PHE A 36 -1.562 7.638 9.845 1.00 0.00 C ATOM 588 CD1 PHE A 36 -0.598 7.792 10.846 1.00 0.00 C ATOM 589 CD2 PHE A 36 -1.169 7.304 8.541 1.00 0.00 C ATOM 590 CE1 PHE A 36 0.759 7.613 10.544 1.00 0.00 C ATOM 591 CE2 PHE A 36 0.186 7.125 8.240 1.00 0.00 C ATOM 592 CZ PHE A 36 1.150 7.279 9.242 1.00 0.00 C ATOM 0 H PHE A 36 -2.666 5.001 9.962 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.665 6.905 12.023 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.598 7.926 9.233 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.175 8.749 10.720 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.899 8.049 11.851 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.913 7.185 7.768 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.504 7.733 11.317 1.00 0.00 H new ATOM 0 HE2 PHE A 36 0.487 6.868 7.235 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.196 7.140 9.011 1.00 0.00 H new ATOM 602 N PRO A 37 -5.751 5.573 11.212 1.00 0.00 N ATOM 603 CA PRO A 37 -7.106 5.147 10.879 1.00 0.00 C ATOM 604 C PRO A 37 -7.559 5.886 9.677 1.00 0.00 C ATOM 605 O PRO A 37 -8.323 6.829 9.675 1.00 0.00 O ATOM 606 CB PRO A 37 -7.865 5.402 12.158 1.00 0.00 C ATOM 607 CG PRO A 37 -6.792 5.198 13.256 1.00 0.00 C ATOM 608 CD PRO A 37 -5.417 5.223 12.550 1.00 0.00 C ATOM 0 HA PRO A 37 -7.237 4.104 10.591 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -8.281 6.409 12.185 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -8.698 4.709 12.276 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -6.854 5.985 14.008 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -6.944 4.250 13.773 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.744 5.952 13.002 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.919 4.255 12.602 1.00 0.00 H new ATOM 616 N SER A 38 -6.944 5.431 8.669 1.00 0.00 N ATOM 617 CA SER A 38 -7.066 5.981 7.313 1.00 0.00 C ATOM 618 C SER A 38 -8.415 6.624 7.125 1.00 0.00 C ATOM 619 O SER A 38 -9.459 6.029 7.280 1.00 0.00 O ATOM 620 CB SER A 38 -6.916 4.833 6.319 1.00 0.00 C ATOM 621 OG SER A 38 -8.204 4.353 5.951 1.00 0.00 O ATOM 0 H SER A 38 -6.308 4.636 8.725 1.00 0.00 H new ATOM 0 HA SER A 38 -6.296 6.736 7.154 1.00 0.00 H new ATOM 0 HB2 SER A 38 -6.376 5.172 5.435 1.00 0.00 H new ATOM 0 HB3 SER A 38 -6.329 4.028 6.762 1.00 0.00 H new ATOM 0 HG SER A 38 -8.818 4.451 6.708 1.00 0.00 H new ATOM 627 N LEU A 39 -8.358 7.864 6.779 1.00 0.00 N ATOM 628 CA LEU A 39 -9.574 8.653 6.542 1.00 0.00 C ATOM 629 C LEU A 39 -10.064 8.342 5.121 1.00 0.00 C ATOM 630 O LEU A 39 -10.971 8.966 4.609 1.00 0.00 O ATOM 631 CB LEU A 39 -9.224 10.145 6.687 1.00 0.00 C ATOM 632 CG LEU A 39 -8.174 10.373 7.811 1.00 0.00 C ATOM 633 CD1 LEU A 39 -8.313 9.324 8.926 1.00 0.00 C ATOM 634 CD2 LEU A 39 -6.749 10.292 7.237 1.00 0.00 C ATOM 0 H LEU A 39 -7.488 8.380 6.647 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.359 8.408 7.257 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.835 10.523 5.741 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -10.127 10.713 6.910 1.00 0.00 H new ATOM 0 HG LEU A 39 -8.355 11.364 8.228 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.565 9.511 9.697 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.309 9.388 9.364 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.164 8.328 8.509 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.025 10.454 8.036 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.590 9.308 6.797 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.621 11.057 6.471 1.00 0.00 H new ATOM 646 N LEU A 40 -9.441 7.380 4.481 1.00 0.00 N ATOM 647 CA LEU A 40 -9.825 7.014 3.092 1.00 0.00 C ATOM 648 C LEU A 40 -10.616 5.704 3.062 1.00 0.00 C ATOM 649 O LEU A 40 -10.530 4.942 2.119 1.00 0.00 O ATOM 650 CB LEU A 40 -8.571 6.871 2.239 1.00 0.00 C ATOM 651 CG LEU A 40 -7.583 5.862 2.841 1.00 0.00 C ATOM 652 CD1 LEU A 40 -7.322 4.772 1.810 1.00 0.00 C ATOM 653 CD2 LEU A 40 -6.283 6.605 3.154 1.00 0.00 C ATOM 0 H LEU A 40 -8.675 6.831 4.872 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.460 7.805 2.693 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.849 6.552 1.235 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.085 7.842 2.142 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.980 5.412 3.751 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.621 4.044 2.219 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.259 4.274 1.562 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.898 5.217 0.910 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.561 5.910 3.584 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.876 7.029 2.236 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.484 7.406 3.866 1.00 0.00 H new ATOM 665 N LYS A 41 -11.404 5.447 4.065 1.00 0.00 N ATOM 666 CA LYS A 41 -12.218 4.193 4.061 1.00 0.00 C ATOM 667 C LYS A 41 -13.595 4.507 3.473 1.00 0.00 C ATOM 668 O LYS A 41 -14.598 4.462 4.159 1.00 0.00 O ATOM 669 CB LYS A 41 -12.394 3.639 5.484 1.00 0.00 C ATOM 670 CG LYS A 41 -11.977 4.683 6.520 1.00 0.00 C ATOM 671 CD LYS A 41 -12.355 4.193 7.917 1.00 0.00 C ATOM 672 CE LYS A 41 -12.452 5.385 8.871 1.00 0.00 C ATOM 673 NZ LYS A 41 -13.818 5.974 8.792 1.00 0.00 N ATOM 0 H LYS A 41 -11.523 6.043 4.884 1.00 0.00 H new ATOM 0 HA LYS A 41 -11.702 3.442 3.463 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -13.434 3.355 5.644 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -11.794 2.737 5.606 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -10.903 4.859 6.463 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -12.467 5.634 6.311 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -13.307 3.664 7.882 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -11.610 3.485 8.279 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -12.240 5.066 9.892 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -11.705 6.135 8.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -13.885 6.784 9.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -14.003 6.293 7.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -14.521 5.257 9.061 1.00 0.00 H new ATOM 687 N GLY A 42 -13.653 4.833 2.210 1.00 0.00 N ATOM 688 CA GLY A 42 -14.967 5.158 1.585 1.00 0.00 C ATOM 689 C GLY A 42 -15.328 4.091 0.550 1.00 0.00 C ATOM 690 O GLY A 42 -15.888 3.063 0.875 1.00 0.00 O ATOM 0 H GLY A 42 -12.849 4.888 1.585 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -15.741 5.211 2.351 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -14.921 6.138 1.110 1.00 0.00 H new ATOM 694 N MET A 43 -15.014 4.327 -0.697 1.00 0.00 N ATOM 695 CA MET A 43 -15.342 3.320 -1.748 1.00 0.00 C ATOM 696 C MET A 43 -14.093 2.761 -2.399 1.00 0.00 C ATOM 697 O MET A 43 -13.919 1.561 -2.479 1.00 0.00 O ATOM 698 CB MET A 43 -16.220 3.938 -2.840 1.00 0.00 C ATOM 699 CG MET A 43 -17.636 3.426 -2.679 1.00 0.00 C ATOM 700 SD MET A 43 -18.764 4.815 -2.408 1.00 0.00 S ATOM 701 CE MET A 43 -18.365 5.729 -3.919 1.00 0.00 C ATOM 0 H MET A 43 -14.547 5.170 -1.032 1.00 0.00 H new ATOM 0 HA MET A 43 -15.878 2.512 -1.249 1.00 0.00 H new ATOM 0 HB2 MET A 43 -16.202 5.025 -2.768 1.00 0.00 H new ATOM 0 HB3 MET A 43 -15.835 3.678 -3.826 1.00 0.00 H new ATOM 0 HG2 MET A 43 -17.935 2.871 -3.568 1.00 0.00 H new ATOM 0 HG3 MET A 43 -17.689 2.734 -1.839 1.00 0.00 H new ATOM 0 HE1 MET A 43 -19.269 6.192 -4.314 1.00 0.00 H new ATOM 0 HE2 MET A 43 -17.631 6.502 -3.693 1.00 0.00 H new ATOM 0 HE3 MET A 43 -17.954 5.044 -4.661 1.00 0.00 H new ATOM 711 N SER A 44 -13.232 3.591 -2.902 1.00 0.00 N ATOM 712 CA SER A 44 -12.043 3.035 -3.568 1.00 0.00 C ATOM 713 C SER A 44 -10.851 3.054 -2.607 1.00 0.00 C ATOM 714 O SER A 44 -10.431 2.031 -2.103 1.00 0.00 O ATOM 715 CB SER A 44 -11.717 3.860 -4.813 1.00 0.00 C ATOM 716 OG SER A 44 -12.213 5.181 -4.641 1.00 0.00 O ATOM 0 H SER A 44 -13.300 4.608 -2.880 1.00 0.00 H new ATOM 0 HA SER A 44 -12.247 2.005 -3.862 1.00 0.00 H new ATOM 0 HB2 SER A 44 -10.640 3.882 -4.978 1.00 0.00 H new ATOM 0 HB3 SER A 44 -12.165 3.402 -5.695 1.00 0.00 H new ATOM 0 HG SER A 44 -12.005 5.715 -5.436 1.00 0.00 H new ATOM 722 N THR A 45 -10.301 4.209 -2.358 1.00 0.00 N ATOM 723 CA THR A 45 -9.133 4.303 -1.438 1.00 0.00 C ATOM 724 C THR A 45 -8.853 5.779 -1.140 1.00 0.00 C ATOM 725 O THR A 45 -9.744 6.603 -1.169 1.00 0.00 O ATOM 726 CB THR A 45 -7.915 3.659 -2.112 1.00 0.00 C ATOM 727 OG1 THR A 45 -6.910 3.404 -1.140 1.00 0.00 O ATOM 728 CG2 THR A 45 -7.369 4.600 -3.185 1.00 0.00 C ATOM 0 H THR A 45 -10.611 5.096 -2.754 1.00 0.00 H new ATOM 0 HA THR A 45 -9.342 3.782 -0.504 1.00 0.00 H new ATOM 0 HB THR A 45 -8.212 2.718 -2.575 1.00 0.00 H new ATOM 0 HG1 THR A 45 -6.831 2.438 -0.997 1.00 0.00 H new ATOM 0 HG21 THR A 45 -6.503 4.142 -3.664 1.00 0.00 H new ATOM 0 HG22 THR A 45 -8.141 4.787 -3.932 1.00 0.00 H new ATOM 0 HG23 THR A 45 -7.073 5.543 -2.725 1.00 0.00 H new ATOM 736 N LEU A 46 -7.625 6.130 -0.871 1.00 0.00 N ATOM 737 CA LEU A 46 -7.315 7.559 -0.597 1.00 0.00 C ATOM 738 C LEU A 46 -7.900 8.398 -1.722 1.00 0.00 C ATOM 739 O LEU A 46 -8.874 9.104 -1.552 1.00 0.00 O ATOM 740 CB LEU A 46 -5.798 7.758 -0.544 1.00 0.00 C ATOM 741 CG LEU A 46 -5.486 9.204 -0.152 1.00 0.00 C ATOM 742 CD1 LEU A 46 -4.496 9.214 1.012 1.00 0.00 C ATOM 743 CD2 LEU A 46 -4.873 9.936 -1.349 1.00 0.00 C ATOM 0 H LEU A 46 -6.829 5.493 -0.830 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.743 7.859 0.360 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -5.355 7.071 0.177 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -5.357 7.530 -1.514 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.406 9.705 0.149 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.273 10.244 1.292 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.931 8.693 1.864 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.576 8.713 0.711 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.651 10.966 -1.071 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.953 9.435 -1.650 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.578 9.929 -2.180 1.00 0.00 H new ATOM 755 N ASP A 47 -7.309 8.323 -2.874 1.00 0.00 N ATOM 756 CA ASP A 47 -7.806 9.099 -4.021 1.00 0.00 C ATOM 757 C ASP A 47 -7.480 8.362 -5.316 1.00 0.00 C ATOM 758 O ASP A 47 -8.347 7.831 -5.982 1.00 0.00 O ATOM 759 CB ASP A 47 -7.116 10.444 -4.020 1.00 0.00 C ATOM 760 CG ASP A 47 -8.070 11.516 -3.490 1.00 0.00 C ATOM 761 OD1 ASP A 47 -8.213 11.608 -2.282 1.00 0.00 O ATOM 762 OD2 ASP A 47 -8.644 12.225 -4.302 1.00 0.00 O ATOM 0 H ASP A 47 -6.490 7.746 -3.067 1.00 0.00 H new ATOM 0 HA ASP A 47 -8.886 9.228 -3.947 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -6.220 10.403 -3.400 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.794 10.698 -5.030 1.00 0.00 H new ATOM 767 N GLU A 48 -6.230 8.345 -5.684 1.00 0.00 N ATOM 768 CA GLU A 48 -5.826 7.671 -6.937 1.00 0.00 C ATOM 769 C GLU A 48 -4.414 7.131 -6.796 1.00 0.00 C ATOM 770 O GLU A 48 -3.639 7.116 -7.729 1.00 0.00 O ATOM 771 CB GLU A 48 -5.799 8.698 -8.015 1.00 0.00 C ATOM 772 CG GLU A 48 -7.048 8.576 -8.885 1.00 0.00 C ATOM 773 CD GLU A 48 -6.884 9.431 -10.143 1.00 0.00 C ATOM 774 OE1 GLU A 48 -6.347 8.924 -11.114 1.00 0.00 O ATOM 775 OE2 GLU A 48 -7.300 10.578 -10.114 1.00 0.00 O ATOM 0 H GLU A 48 -5.467 8.775 -5.161 1.00 0.00 H new ATOM 0 HA GLU A 48 -6.519 6.860 -7.159 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.747 9.695 -7.577 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.906 8.571 -8.627 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -7.211 7.534 -9.160 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -7.926 8.899 -8.326 1.00 0.00 H new ATOM 782 N LEU A 49 -4.081 6.700 -5.644 1.00 0.00 N ATOM 783 CA LEU A 49 -2.717 6.153 -5.421 1.00 0.00 C ATOM 784 C LEU A 49 -2.676 4.763 -6.037 1.00 0.00 C ATOM 785 O LEU A 49 -1.647 4.270 -6.452 1.00 0.00 O ATOM 786 CB LEU A 49 -2.438 6.061 -3.918 1.00 0.00 C ATOM 787 CG LEU A 49 -0.985 6.452 -3.644 1.00 0.00 C ATOM 788 CD1 LEU A 49 -0.947 7.821 -2.963 1.00 0.00 C ATOM 789 CD2 LEU A 49 -0.341 5.410 -2.725 1.00 0.00 C ATOM 0 H LEU A 49 -4.690 6.695 -4.826 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.964 6.797 -5.874 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.112 6.720 -3.371 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.626 5.047 -3.564 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.437 6.497 -4.585 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.088 8.101 -2.767 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.407 8.564 -3.614 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.495 7.775 -2.022 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.695 5.688 -2.529 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.889 5.367 -1.784 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.369 4.433 -3.207 1.00 0.00 H new ATOM 801 N PHE A 50 -3.812 4.139 -6.093 1.00 0.00 N ATOM 802 CA PHE A 50 -3.912 2.779 -6.671 1.00 0.00 C ATOM 803 C PHE A 50 -4.039 2.865 -8.196 1.00 0.00 C ATOM 804 O PHE A 50 -3.368 2.166 -8.929 1.00 0.00 O ATOM 805 CB PHE A 50 -5.144 2.109 -6.078 1.00 0.00 C ATOM 806 CG PHE A 50 -5.109 0.628 -6.374 1.00 0.00 C ATOM 807 CD1 PHE A 50 -4.318 -0.224 -5.590 1.00 0.00 C ATOM 808 CD2 PHE A 50 -5.863 0.104 -7.432 1.00 0.00 C ATOM 809 CE1 PHE A 50 -4.283 -1.597 -5.865 1.00 0.00 C ATOM 810 CE2 PHE A 50 -5.827 -1.269 -7.706 1.00 0.00 C ATOM 811 CZ PHE A 50 -5.037 -2.120 -6.922 1.00 0.00 C ATOM 0 H PHE A 50 -4.694 4.523 -5.755 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.018 2.200 -6.438 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -5.177 2.274 -5.001 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -6.048 2.552 -6.496 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.736 0.178 -4.774 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -6.472 0.759 -8.037 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -3.674 -2.253 -5.261 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -6.408 -1.672 -8.522 1.00 0.00 H new ATOM 0 HZ PHE A 50 -5.010 -3.179 -7.133 1.00 0.00 H new ATOM 821 N GLU A 51 -4.913 3.710 -8.676 1.00 0.00 N ATOM 822 CA GLU A 51 -5.110 3.842 -10.148 1.00 0.00 C ATOM 823 C GLU A 51 -3.976 4.671 -10.760 1.00 0.00 C ATOM 824 O GLU A 51 -3.378 4.293 -11.745 1.00 0.00 O ATOM 825 CB GLU A 51 -6.444 4.548 -10.406 1.00 0.00 C ATOM 826 CG GLU A 51 -7.340 3.667 -11.276 1.00 0.00 C ATOM 827 CD GLU A 51 -8.739 4.287 -11.352 1.00 0.00 C ATOM 828 OE1 GLU A 51 -8.854 5.375 -11.892 1.00 0.00 O ATOM 829 OE2 GLU A 51 -9.668 3.662 -10.869 1.00 0.00 O ATOM 0 H GLU A 51 -5.502 4.318 -8.107 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.111 2.851 -10.603 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.940 4.764 -9.460 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.270 5.504 -10.900 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.917 3.573 -12.276 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.397 2.662 -10.858 1.00 0.00 H new ATOM 836 N GLU A 52 -3.688 5.806 -10.186 1.00 0.00 N ATOM 837 CA GLU A 52 -2.605 6.673 -10.739 1.00 0.00 C ATOM 838 C GLU A 52 -1.276 5.915 -10.729 1.00 0.00 C ATOM 839 O GLU A 52 -0.389 6.191 -11.511 1.00 0.00 O ATOM 840 CB GLU A 52 -2.472 7.935 -9.886 1.00 0.00 C ATOM 841 CG GLU A 52 -1.628 8.972 -10.632 1.00 0.00 C ATOM 842 CD GLU A 52 -2.506 9.712 -11.645 1.00 0.00 C ATOM 843 OE1 GLU A 52 -3.293 10.541 -11.222 1.00 0.00 O ATOM 844 OE2 GLU A 52 -2.373 9.436 -12.826 1.00 0.00 O ATOM 0 H GLU A 52 -4.155 6.173 -9.357 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.858 6.948 -11.763 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.458 8.344 -9.667 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.008 7.693 -8.930 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.194 9.680 -9.926 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.799 8.482 -11.143 1.00 0.00 H new ATOM 851 N LEU A 53 -1.129 4.964 -9.850 1.00 0.00 N ATOM 852 CA LEU A 53 0.146 4.197 -9.798 1.00 0.00 C ATOM 853 C LEU A 53 -0.037 2.859 -10.518 1.00 0.00 C ATOM 854 O LEU A 53 0.426 2.672 -11.625 1.00 0.00 O ATOM 855 CB LEU A 53 0.533 3.950 -8.337 1.00 0.00 C ATOM 856 CG LEU A 53 0.789 5.292 -7.648 1.00 0.00 C ATOM 857 CD1 LEU A 53 1.354 5.052 -6.246 1.00 0.00 C ATOM 858 CD2 LEU A 53 1.796 6.103 -8.468 1.00 0.00 C ATOM 0 H LEU A 53 -1.834 4.685 -9.167 1.00 0.00 H new ATOM 0 HA LEU A 53 0.936 4.766 -10.288 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.263 3.411 -7.824 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.425 3.326 -8.286 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.149 5.842 -7.572 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.535 6.010 -5.758 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.639 4.475 -5.659 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.291 4.500 -6.321 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.979 7.059 -7.977 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.732 5.550 -8.545 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.395 6.278 -9.466 1.00 0.00 H new ATOM 870 N ASP A 54 -0.712 1.929 -9.901 1.00 0.00 N ATOM 871 CA ASP A 54 -0.926 0.609 -10.555 1.00 0.00 C ATOM 872 C ASP A 54 -1.986 0.753 -11.650 1.00 0.00 C ATOM 873 O ASP A 54 -2.716 1.723 -11.696 1.00 0.00 O ATOM 874 CB ASP A 54 -1.405 -0.405 -9.514 1.00 0.00 C ATOM 875 CG ASP A 54 -0.783 -1.773 -9.807 1.00 0.00 C ATOM 876 OD1 ASP A 54 0.015 -1.854 -10.728 1.00 0.00 O ATOM 877 OD2 ASP A 54 -1.116 -2.714 -9.107 1.00 0.00 O ATOM 0 H ASP A 54 -1.124 2.026 -8.973 1.00 0.00 H new ATOM 0 HA ASP A 54 0.010 0.264 -10.994 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.126 -0.074 -8.514 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.492 -0.477 -9.534 1.00 0.00 H new ATOM 882 N LYS A 55 -2.077 -0.205 -12.532 1.00 0.00 N ATOM 883 CA LYS A 55 -3.090 -0.122 -13.622 1.00 0.00 C ATOM 884 C LYS A 55 -2.883 -1.280 -14.600 1.00 0.00 C ATOM 885 O LYS A 55 -2.866 -1.096 -15.800 1.00 0.00 O ATOM 886 CB LYS A 55 -2.939 1.209 -14.363 1.00 0.00 C ATOM 887 CG LYS A 55 -1.456 1.495 -14.613 1.00 0.00 C ATOM 888 CD LYS A 55 -1.317 2.748 -15.481 1.00 0.00 C ATOM 889 CE LYS A 55 -2.157 3.895 -14.872 1.00 0.00 C ATOM 890 NZ LYS A 55 -1.560 5.204 -15.266 1.00 0.00 N ATOM 0 H LYS A 55 -1.493 -1.042 -12.545 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.090 -0.184 -13.193 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.477 1.172 -15.310 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -3.381 2.015 -13.777 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.937 1.637 -13.665 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -0.989 0.643 -15.108 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -0.270 3.044 -15.545 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.651 2.538 -16.497 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -3.188 3.832 -15.221 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -2.183 3.806 -13.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -2.122 5.979 -14.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.584 5.261 -14.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.558 5.286 -16.303 1.00 0.00 H new ATOM 904 N ASN A 56 -2.726 -2.475 -14.097 1.00 0.00 N ATOM 905 CA ASN A 56 -2.520 -3.640 -15.004 1.00 0.00 C ATOM 906 C ASN A 56 -3.576 -4.710 -14.717 1.00 0.00 C ATOM 907 O ASN A 56 -3.784 -5.612 -15.503 1.00 0.00 O ATOM 908 CB ASN A 56 -1.129 -4.231 -14.769 1.00 0.00 C ATOM 909 CG ASN A 56 -0.993 -5.533 -15.557 1.00 0.00 C ATOM 910 OD1 ASN A 56 -0.381 -5.564 -16.606 1.00 0.00 O ATOM 911 ND2 ASN A 56 -1.542 -6.616 -15.088 1.00 0.00 N ATOM 0 H ASN A 56 -2.731 -2.694 -13.101 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.609 -3.309 -16.039 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -0.363 -3.522 -15.082 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -0.976 -4.418 -13.706 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -1.459 -7.493 -15.601 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -2.055 -6.587 -14.207 1.00 0.00 H new ATOM 918 N GLY A 57 -4.240 -4.623 -13.596 1.00 0.00 N ATOM 919 CA GLY A 57 -5.274 -5.643 -13.262 1.00 0.00 C ATOM 920 C GLY A 57 -4.591 -6.927 -12.794 1.00 0.00 C ATOM 921 O GLY A 57 -4.860 -8.003 -13.292 1.00 0.00 O ATOM 0 H GLY A 57 -4.111 -3.890 -12.898 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -5.934 -5.265 -12.482 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.895 -5.846 -14.135 1.00 0.00 H new ATOM 925 N ASP A 58 -3.715 -6.824 -11.835 1.00 0.00 N ATOM 926 CA ASP A 58 -3.019 -8.036 -11.325 1.00 0.00 C ATOM 927 C ASP A 58 -3.391 -8.238 -9.858 1.00 0.00 C ATOM 928 O ASP A 58 -3.026 -9.220 -9.244 1.00 0.00 O ATOM 929 CB ASP A 58 -1.503 -7.858 -11.448 1.00 0.00 C ATOM 930 CG ASP A 58 -1.146 -6.372 -11.365 1.00 0.00 C ATOM 931 OD1 ASP A 58 -1.639 -5.714 -10.463 1.00 0.00 O ATOM 932 OD2 ASP A 58 -0.388 -5.918 -12.206 1.00 0.00 O ATOM 0 H ASP A 58 -3.451 -5.950 -11.381 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.322 -8.905 -11.910 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.998 -8.408 -10.654 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.155 -8.273 -12.394 1.00 0.00 H new ATOM 937 N GLY A 59 -4.120 -7.316 -9.290 1.00 0.00 N ATOM 938 CA GLY A 59 -4.517 -7.462 -7.867 1.00 0.00 C ATOM 939 C GLY A 59 -3.287 -7.303 -6.969 1.00 0.00 C ATOM 940 O GLY A 59 -3.301 -7.672 -5.812 1.00 0.00 O ATOM 0 H GLY A 59 -4.456 -6.471 -9.752 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.266 -6.713 -7.610 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.974 -8.438 -7.705 1.00 0.00 H new ATOM 944 N GLU A 60 -2.223 -6.754 -7.493 1.00 0.00 N ATOM 945 CA GLU A 60 -0.996 -6.569 -6.666 1.00 0.00 C ATOM 946 C GLU A 60 -0.218 -5.355 -7.168 1.00 0.00 C ATOM 947 O GLU A 60 -0.289 -4.988 -8.325 1.00 0.00 O ATOM 948 CB GLU A 60 -0.110 -7.814 -6.763 1.00 0.00 C ATOM 949 CG GLU A 60 1.278 -7.504 -6.193 1.00 0.00 C ATOM 950 CD GLU A 60 2.213 -8.687 -6.446 1.00 0.00 C ATOM 951 OE1 GLU A 60 2.031 -9.711 -5.806 1.00 0.00 O ATOM 952 OE2 GLU A 60 3.099 -8.550 -7.273 1.00 0.00 O ATOM 0 H GLU A 60 -2.151 -6.426 -8.456 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.287 -6.413 -5.627 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.564 -8.639 -6.214 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.025 -8.132 -7.802 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.680 -6.604 -6.658 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.207 -7.306 -5.123 1.00 0.00 H new ATOM 959 N VAL A 61 0.536 -4.737 -6.305 1.00 0.00 N ATOM 960 CA VAL A 61 1.334 -3.560 -6.711 1.00 0.00 C ATOM 961 C VAL A 61 2.815 -3.887 -6.479 1.00 0.00 C ATOM 962 O VAL A 61 3.197 -5.039 -6.418 1.00 0.00 O ATOM 963 CB VAL A 61 0.877 -2.348 -5.877 1.00 0.00 C ATOM 964 CG1 VAL A 61 1.742 -2.185 -4.622 1.00 0.00 C ATOM 965 CG2 VAL A 61 0.970 -1.085 -6.731 1.00 0.00 C ATOM 0 H VAL A 61 0.631 -5.004 -5.325 1.00 0.00 H new ATOM 0 HA VAL A 61 1.193 -3.318 -7.764 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.154 -2.512 -5.562 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.397 -1.322 -4.052 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.663 -3.081 -4.007 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.782 -2.035 -4.914 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.647 -0.225 -6.145 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.001 -0.939 -7.053 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.328 -1.189 -7.606 1.00 0.00 H new ATOM 975 N SER A 62 3.652 -2.901 -6.344 1.00 0.00 N ATOM 976 CA SER A 62 5.094 -3.194 -6.114 1.00 0.00 C ATOM 977 C SER A 62 5.740 -2.032 -5.347 1.00 0.00 C ATOM 978 O SER A 62 5.120 -1.018 -5.096 1.00 0.00 O ATOM 979 CB SER A 62 5.791 -3.380 -7.463 1.00 0.00 C ATOM 980 OG SER A 62 6.083 -2.104 -8.027 1.00 0.00 O ATOM 0 H SER A 62 3.405 -1.912 -6.382 1.00 0.00 H new ATOM 0 HA SER A 62 5.195 -4.106 -5.526 1.00 0.00 H new ATOM 0 HB2 SER A 62 6.710 -3.951 -7.334 1.00 0.00 H new ATOM 0 HB3 SER A 62 5.153 -3.951 -8.138 1.00 0.00 H new ATOM 0 HG SER A 62 6.531 -2.223 -8.890 1.00 0.00 H new ATOM 986 N PHE A 63 6.979 -2.183 -4.961 1.00 0.00 N ATOM 987 CA PHE A 63 7.676 -1.108 -4.193 1.00 0.00 C ATOM 988 C PHE A 63 8.094 0.026 -5.144 1.00 0.00 C ATOM 989 O PHE A 63 8.376 1.128 -4.717 1.00 0.00 O ATOM 990 CB PHE A 63 8.920 -1.710 -3.533 1.00 0.00 C ATOM 991 CG PHE A 63 9.325 -0.926 -2.295 1.00 0.00 C ATOM 992 CD1 PHE A 63 8.425 -0.758 -1.233 1.00 0.00 C ATOM 993 CD2 PHE A 63 10.609 -0.378 -2.205 1.00 0.00 C ATOM 994 CE1 PHE A 63 8.806 -0.044 -0.090 1.00 0.00 C ATOM 995 CE2 PHE A 63 10.992 0.338 -1.060 1.00 0.00 C ATOM 996 CZ PHE A 63 10.088 0.506 -0.001 1.00 0.00 C ATOM 0 H PHE A 63 7.544 -3.012 -5.146 1.00 0.00 H new ATOM 0 HA PHE A 63 7.008 -0.702 -3.434 1.00 0.00 H new ATOM 0 HB2 PHE A 63 8.724 -2.747 -3.261 1.00 0.00 H new ATOM 0 HB3 PHE A 63 9.744 -1.718 -4.246 1.00 0.00 H new ATOM 0 HD1 PHE A 63 7.433 -1.181 -1.297 1.00 0.00 H new ATOM 0 HD2 PHE A 63 11.307 -0.506 -3.019 1.00 0.00 H new ATOM 0 HE1 PHE A 63 8.108 0.082 0.724 1.00 0.00 H new ATOM 0 HE2 PHE A 63 11.984 0.760 -0.994 1.00 0.00 H new ATOM 0 HZ PHE A 63 10.381 1.058 0.880 1.00 0.00 H new ATOM 1006 N GLU A 64 8.138 -0.232 -6.428 1.00 0.00 N ATOM 1007 CA GLU A 64 8.540 0.844 -7.389 1.00 0.00 C ATOM 1008 C GLU A 64 7.486 1.954 -7.383 1.00 0.00 C ATOM 1009 O GLU A 64 7.799 3.120 -7.513 1.00 0.00 O ATOM 1010 CB GLU A 64 8.669 0.273 -8.807 1.00 0.00 C ATOM 1011 CG GLU A 64 9.592 1.171 -9.632 1.00 0.00 C ATOM 1012 CD GLU A 64 8.794 2.355 -10.180 1.00 0.00 C ATOM 1013 OE1 GLU A 64 7.578 2.258 -10.217 1.00 0.00 O ATOM 1014 OE2 GLU A 64 9.411 3.340 -10.553 1.00 0.00 O ATOM 0 H GLU A 64 7.915 -1.133 -6.851 1.00 0.00 H new ATOM 0 HA GLU A 64 9.504 1.248 -7.081 1.00 0.00 H new ATOM 0 HB2 GLU A 64 9.068 -0.740 -8.768 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.688 0.211 -9.277 1.00 0.00 H new ATOM 0 HG2 GLU A 64 10.416 1.529 -9.015 1.00 0.00 H new ATOM 0 HG3 GLU A 64 10.031 0.604 -10.453 1.00 0.00 H new ATOM 1021 N GLU A 65 6.240 1.602 -7.215 1.00 0.00 N ATOM 1022 CA GLU A 65 5.168 2.639 -7.180 1.00 0.00 C ATOM 1023 C GLU A 65 4.743 2.858 -5.725 1.00 0.00 C ATOM 1024 O GLU A 65 3.931 3.708 -5.418 1.00 0.00 O ATOM 1025 CB GLU A 65 3.971 2.179 -8.011 1.00 0.00 C ATOM 1026 CG GLU A 65 3.249 1.052 -7.280 1.00 0.00 C ATOM 1027 CD GLU A 65 1.995 1.603 -6.596 1.00 0.00 C ATOM 1028 OE1 GLU A 65 2.112 2.064 -5.473 1.00 0.00 O ATOM 1029 OE2 GLU A 65 0.940 1.550 -7.205 1.00 0.00 O ATOM 0 H GLU A 65 5.918 0.641 -7.100 1.00 0.00 H new ATOM 0 HA GLU A 65 5.543 3.573 -7.599 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.290 3.013 -8.180 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.305 1.837 -8.991 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.976 0.265 -7.983 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.911 0.602 -6.540 1.00 0.00 H new ATOM 1036 N PHE A 66 5.320 2.105 -4.828 1.00 0.00 N ATOM 1037 CA PHE A 66 5.012 2.251 -3.380 1.00 0.00 C ATOM 1038 C PHE A 66 5.906 3.367 -2.817 1.00 0.00 C ATOM 1039 O PHE A 66 6.006 3.564 -1.623 1.00 0.00 O ATOM 1040 CB PHE A 66 5.349 0.914 -2.710 1.00 0.00 C ATOM 1041 CG PHE A 66 4.722 0.792 -1.336 1.00 0.00 C ATOM 1042 CD1 PHE A 66 3.328 0.752 -1.201 1.00 0.00 C ATOM 1043 CD2 PHE A 66 5.534 0.708 -0.194 1.00 0.00 C ATOM 1044 CE1 PHE A 66 2.746 0.636 0.067 1.00 0.00 C ATOM 1045 CE2 PHE A 66 4.950 0.591 1.071 1.00 0.00 C ATOM 1046 CZ PHE A 66 3.559 0.557 1.202 1.00 0.00 C ATOM 0 H PHE A 66 6.005 1.381 -5.044 1.00 0.00 H new ATOM 0 HA PHE A 66 3.967 2.504 -3.204 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.002 0.095 -3.340 1.00 0.00 H new ATOM 0 HB3 PHE A 66 6.431 0.814 -2.625 1.00 0.00 H new ATOM 0 HD1 PHE A 66 2.700 0.811 -2.078 1.00 0.00 H new ATOM 0 HD2 PHE A 66 6.609 0.734 -0.292 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.671 0.608 0.168 1.00 0.00 H new ATOM 0 HE2 PHE A 66 5.575 0.527 1.949 1.00 0.00 H new ATOM 0 HZ PHE A 66 3.111 0.470 2.181 1.00 0.00 H new ATOM 1056 N GLN A 67 6.560 4.096 -3.692 1.00 0.00 N ATOM 1057 CA GLN A 67 7.461 5.206 -3.248 1.00 0.00 C ATOM 1058 C GLN A 67 6.641 6.455 -2.994 1.00 0.00 C ATOM 1059 O GLN A 67 6.894 7.206 -2.075 1.00 0.00 O ATOM 1060 CB GLN A 67 8.522 5.492 -4.311 1.00 0.00 C ATOM 1061 CG GLN A 67 9.216 4.192 -4.729 1.00 0.00 C ATOM 1062 CD GLN A 67 10.249 3.767 -3.667 1.00 0.00 C ATOM 1063 OE1 GLN A 67 11.239 4.446 -3.480 1.00 0.00 O ATOM 1064 NE2 GLN A 67 10.079 2.670 -2.954 1.00 0.00 N ATOM 0 H GLN A 67 6.507 3.967 -4.702 1.00 0.00 H new ATOM 0 HA GLN A 67 7.962 4.905 -2.328 1.00 0.00 H new ATOM 0 HB2 GLN A 67 8.060 5.962 -5.179 1.00 0.00 H new ATOM 0 HB3 GLN A 67 9.257 6.196 -3.921 1.00 0.00 H new ATOM 0 HG2 GLN A 67 8.475 3.403 -4.861 1.00 0.00 H new ATOM 0 HG3 GLN A 67 9.710 4.329 -5.691 1.00 0.00 H new ATOM 0 HE21 GLN A 67 9.253 2.090 -3.100 1.00 0.00 H new ATOM 0 HE22 GLN A 67 10.774 2.402 -2.257 1.00 0.00 H new ATOM 1073 N VAL A 68 5.653 6.688 -3.798 1.00 0.00 N ATOM 1074 CA VAL A 68 4.803 7.885 -3.575 1.00 0.00 C ATOM 1075 C VAL A 68 4.429 7.915 -2.092 1.00 0.00 C ATOM 1076 O VAL A 68 4.255 8.956 -1.493 1.00 0.00 O ATOM 1077 CB VAL A 68 3.545 7.769 -4.425 1.00 0.00 C ATOM 1078 CG1 VAL A 68 2.867 9.134 -4.511 1.00 0.00 C ATOM 1079 CG2 VAL A 68 3.936 7.289 -5.824 1.00 0.00 C ATOM 0 H VAL A 68 5.395 6.108 -4.596 1.00 0.00 H new ATOM 0 HA VAL A 68 5.330 8.798 -3.851 1.00 0.00 H new ATOM 0 HB VAL A 68 2.853 7.056 -3.977 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.966 9.055 -5.119 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.601 9.472 -3.509 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.550 9.851 -4.966 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.042 7.202 -6.442 1.00 0.00 H new ATOM 0 HG22 VAL A 68 4.622 8.006 -6.276 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.423 6.317 -5.752 1.00 0.00 H new ATOM 1089 N LEU A 69 4.339 6.754 -1.505 1.00 0.00 N ATOM 1090 CA LEU A 69 4.014 6.639 -0.055 1.00 0.00 C ATOM 1091 C LEU A 69 5.217 7.101 0.744 1.00 0.00 C ATOM 1092 O LEU A 69 5.083 7.758 1.738 1.00 0.00 O ATOM 1093 CB LEU A 69 3.777 5.159 0.269 1.00 0.00 C ATOM 1094 CG LEU A 69 2.373 4.872 0.836 1.00 0.00 C ATOM 1095 CD1 LEU A 69 2.480 4.696 2.345 1.00 0.00 C ATOM 1096 CD2 LEU A 69 1.388 6.006 0.533 1.00 0.00 C ATOM 0 H LEU A 69 4.480 5.862 -1.979 1.00 0.00 H new ATOM 0 HA LEU A 69 3.135 7.237 0.186 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.922 4.569 -0.636 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.526 4.828 0.989 1.00 0.00 H new ATOM 0 HG LEU A 69 1.995 3.967 0.361 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.492 4.492 2.758 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.146 3.862 2.568 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.879 5.608 2.790 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.412 5.761 0.951 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.751 6.932 0.978 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.299 6.132 -0.546 1.00 0.00 H new ATOM 1108 N VAL A 70 6.386 6.721 0.321 1.00 0.00 N ATOM 1109 CA VAL A 70 7.622 7.105 1.056 1.00 0.00 C ATOM 1110 C VAL A 70 7.498 8.554 1.540 1.00 0.00 C ATOM 1111 O VAL A 70 7.874 8.881 2.640 1.00 0.00 O ATOM 1112 CB VAL A 70 8.860 6.925 0.139 1.00 0.00 C ATOM 1113 CG1 VAL A 70 9.720 8.197 0.099 1.00 0.00 C ATOM 1114 CG2 VAL A 70 9.713 5.772 0.669 1.00 0.00 C ATOM 0 H VAL A 70 6.541 6.154 -0.512 1.00 0.00 H new ATOM 0 HA VAL A 70 7.750 6.460 1.925 1.00 0.00 H new ATOM 0 HB VAL A 70 8.506 6.715 -0.870 1.00 0.00 H new ATOM 0 HG11 VAL A 70 10.579 8.035 -0.553 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.125 9.026 -0.283 1.00 0.00 H new ATOM 0 HG13 VAL A 70 10.067 8.433 1.105 1.00 0.00 H new ATOM 0 HG21 VAL A 70 10.585 5.640 0.029 1.00 0.00 H new ATOM 0 HG22 VAL A 70 10.039 5.998 1.684 1.00 0.00 H new ATOM 0 HG23 VAL A 70 9.124 4.855 0.672 1.00 0.00 H new ATOM 1124 N LYS A 71 6.953 9.424 0.745 1.00 0.00 N ATOM 1125 CA LYS A 71 6.794 10.832 1.205 1.00 0.00 C ATOM 1126 C LYS A 71 5.504 10.925 2.025 1.00 0.00 C ATOM 1127 O LYS A 71 4.783 11.900 1.956 1.00 0.00 O ATOM 1128 CB LYS A 71 6.696 11.757 -0.010 1.00 0.00 C ATOM 1129 CG LYS A 71 5.575 11.273 -0.931 1.00 0.00 C ATOM 1130 CD LYS A 71 4.865 12.481 -1.542 1.00 0.00 C ATOM 1131 CE LYS A 71 3.885 12.009 -2.617 1.00 0.00 C ATOM 1132 NZ LYS A 71 4.023 12.869 -3.826 1.00 0.00 N ATOM 0 H LYS A 71 6.612 9.228 -0.196 1.00 0.00 H new ATOM 0 HA LYS A 71 7.649 11.131 1.811 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.500 12.779 0.313 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.644 11.769 -0.548 1.00 0.00 H new ATOM 0 HG2 LYS A 71 5.984 10.640 -1.719 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.865 10.665 -0.370 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.333 13.033 -0.767 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.595 13.164 -1.976 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.083 10.968 -2.873 1.00 0.00 H new ATOM 0 HE3 LYS A 71 2.864 12.055 -2.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 3.357 12.549 -4.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 3.814 13.856 -3.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 4.995 12.803 -4.190 1.00 0.00 H new ATOM 1146 N LYS A 72 5.199 9.901 2.785 1.00 0.00 N ATOM 1147 CA LYS A 72 3.947 9.907 3.585 1.00 0.00 C ATOM 1148 C LYS A 72 4.240 9.571 5.054 1.00 0.00 C ATOM 1149 O LYS A 72 3.376 9.689 5.899 1.00 0.00 O ATOM 1150 CB LYS A 72 2.988 8.853 3.029 1.00 0.00 C ATOM 1151 CG LYS A 72 2.601 9.230 1.602 1.00 0.00 C ATOM 1152 CD LYS A 72 2.142 10.686 1.574 1.00 0.00 C ATOM 1153 CE LYS A 72 0.924 10.827 0.655 1.00 0.00 C ATOM 1154 NZ LYS A 72 0.988 9.799 -0.425 1.00 0.00 N ATOM 0 H LYS A 72 5.769 9.061 2.882 1.00 0.00 H new ATOM 0 HA LYS A 72 3.504 10.901 3.525 1.00 0.00 H new ATOM 0 HB2 LYS A 72 3.460 7.871 3.043 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.098 8.788 3.655 1.00 0.00 H new ATOM 0 HG2 LYS A 72 3.451 9.091 0.933 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.804 8.578 1.244 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.890 11.017 2.581 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.951 11.326 1.222 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.006 10.707 1.231 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.899 11.826 0.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.493 10.151 -1.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.982 9.605 -0.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 0.533 8.923 -0.098 1.00 0.00 H new ATOM 1168 N ILE A 73 5.429 9.120 5.372 1.00 0.00 N ATOM 1169 CA ILE A 73 5.711 8.751 6.786 1.00 0.00 C ATOM 1170 C ILE A 73 6.496 9.798 7.500 1.00 0.00 C ATOM 1171 O ILE A 73 6.212 10.155 8.625 1.00 0.00 O ATOM 1172 CB ILE A 73 6.634 7.551 6.863 1.00 0.00 C ATOM 1173 CG1 ILE A 73 6.595 6.756 5.582 1.00 0.00 C ATOM 1174 CG2 ILE A 73 6.254 6.710 8.054 1.00 0.00 C ATOM 1175 CD1 ILE A 73 5.162 6.350 5.243 1.00 0.00 C ATOM 0 H ILE A 73 6.204 8.994 4.721 1.00 0.00 H new ATOM 0 HA ILE A 73 4.726 8.586 7.223 1.00 0.00 H new ATOM 0 HB ILE A 73 7.662 7.891 6.990 1.00 0.00 H new ATOM 0 HG12 ILE A 73 7.013 7.348 4.768 1.00 0.00 H new ATOM 0 HG13 ILE A 73 7.217 5.866 5.681 1.00 0.00 H new ATOM 0 HG21 ILE A 73 6.915 5.845 8.114 1.00 0.00 H new ATOM 0 HG22 ILE A 73 6.349 7.303 8.963 1.00 0.00 H new ATOM 0 HG23 ILE A 73 5.223 6.372 7.947 1.00 0.00 H new ATOM 0 HD11 ILE A 73 5.156 5.777 4.316 1.00 0.00 H new ATOM 0 HD12 ILE A 73 4.757 5.739 6.049 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.550 7.244 5.122 1.00 0.00 H new ATOM 1187 N SER A 74 7.581 10.169 6.911 1.00 0.00 N ATOM 1188 CA SER A 74 8.488 11.051 7.621 1.00 0.00 C ATOM 1189 C SER A 74 7.713 12.172 8.319 1.00 0.00 C ATOM 1190 O SER A 74 8.065 12.605 9.399 1.00 0.00 O ATOM 1191 CB SER A 74 9.529 11.637 6.666 1.00 0.00 C ATOM 1192 OG SER A 74 10.839 11.370 7.160 1.00 0.00 O ATOM 0 H SER A 74 7.870 9.895 5.972 1.00 0.00 H new ATOM 0 HA SER A 74 9.008 10.466 8.380 1.00 0.00 H new ATOM 0 HB2 SER A 74 9.409 11.204 5.673 1.00 0.00 H new ATOM 0 HB3 SER A 74 9.380 12.712 6.566 1.00 0.00 H new ATOM 0 HG SER A 74 11.198 10.571 6.720 1.00 0.00 H new ATOM 1198 N GLN A 75 6.656 12.638 7.713 1.00 0.00 N ATOM 1199 CA GLN A 75 5.854 13.722 8.344 1.00 0.00 C ATOM 1200 C GLN A 75 6.789 14.812 8.870 1.00 0.00 C ATOM 1201 O GLN A 75 7.160 14.739 10.031 1.00 0.00 O ATOM 1202 CB GLN A 75 5.045 13.139 9.504 1.00 0.00 C ATOM 1203 CG GLN A 75 4.099 14.205 10.058 1.00 0.00 C ATOM 1204 CD GLN A 75 2.810 13.538 10.541 1.00 0.00 C ATOM 1205 OE1 GLN A 75 2.849 12.505 11.180 1.00 0.00 O ATOM 1206 NE2 GLN A 75 1.660 14.087 10.260 1.00 0.00 N ATOM 1207 OXT GLN A 75 7.117 15.703 8.104 1.00 0.00 O ATOM 0 H GLN A 75 6.314 12.315 6.808 1.00 0.00 H new ATOM 0 HA GLN A 75 5.178 14.153 7.606 1.00 0.00 H new ATOM 0 HB2 GLN A 75 4.475 12.274 9.164 1.00 0.00 H new ATOM 0 HB3 GLN A 75 5.716 12.790 10.289 1.00 0.00 H new ATOM 0 HG2 GLN A 75 4.576 14.738 10.880 1.00 0.00 H new ATOM 0 HG3 GLN A 75 3.873 14.943 9.288 1.00 0.00 H new ATOM 0 HE21 GLN A 75 1.626 14.954 9.724 1.00 0.00 H new ATOM 0 HE22 GLN A 75 0.795 13.649 10.577 1.00 0.00 H new TER 1216 GLN A 75