USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 799 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 1 MET N :NH3+ -167:sc= 0 (180deg=-0.171) USER MOD Set 1.2: A 2 THR OG1 : rot -60:sc= 0.146 USER MOD Set 1.3: A 5 GLN : amide:sc= -1.22! C(o=-1.1!,f=-6.5!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= 0.327 X(o=0.33,f=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0633 USER MOD Single : A 24 LYS NZ :NH3+ 164:sc= 0.0118 (180deg=0.00237) USER MOD Single : A 36 THR OG1 : rot -113:sc= 0.0577 USER MOD Single : A 41 GLN : amide:sc= -0.0827 X(o=-0.083,f=-0.027) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.00729 USER MOD Single : A 52 GLN : amide:sc= -0.815 K(o=-0.82,f=-0.13) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -133:sc= 0 (180deg=-0.751) USER MOD Single : A 62 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00113) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 ASN : amide:sc= -0.04 K(o=-0.04,f=-1.3!) USER MOD Single : A 78 HIS : no HE2:sc= -0.0143 K(o=-0.014,f=-1.1) USER MOD Single : A 80 TYR OH : rot -16:sc= 0.168 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -0.0381 X(o=-0.038,f=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 73:sc= 0.703 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.638 1.573 -6.739 1.00 0.00 N ATOM 2 CA MET A 1 -13.965 0.915 -6.845 1.00 0.00 C ATOM 3 C MET A 1 -15.020 1.901 -7.331 1.00 0.00 C ATOM 4 O MET A 1 -15.842 1.570 -8.184 1.00 0.00 O ATOM 5 CB MET A 1 -14.371 0.329 -5.494 1.00 0.00 C ATOM 6 CG MET A 1 -13.539 -0.878 -5.096 1.00 0.00 C ATOM 7 SD MET A 1 -13.928 -1.493 -3.449 1.00 0.00 S ATOM 8 CE MET A 1 -12.809 -2.888 -3.349 1.00 0.00 C ATOM 0 H1 MET A 1 -11.900 0.849 -6.623 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.452 2.121 -7.603 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.631 2.210 -5.917 1.00 0.00 H new ATOM 0 HA MET A 1 -13.891 0.107 -7.573 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.276 1.098 -4.727 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.422 0.043 -5.529 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.697 -1.676 -5.822 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.482 -0.613 -5.138 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.926 -3.380 -2.383 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.037 -3.595 -4.147 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.782 -2.539 -3.456 1.00 0.00 H new ATOM 18 N THR A 2 -14.990 3.112 -6.786 1.00 0.00 N ATOM 19 CA THR A 2 -15.939 4.148 -7.174 1.00 0.00 C ATOM 20 C THR A 2 -15.213 5.335 -7.804 1.00 0.00 C ATOM 21 O THR A 2 -14.007 5.499 -7.616 1.00 0.00 O ATOM 22 CB THR A 2 -16.768 4.639 -5.967 1.00 0.00 C ATOM 23 OG1 THR A 2 -15.901 5.009 -4.890 1.00 0.00 O ATOM 24 CG2 THR A 2 -17.737 3.560 -5.502 1.00 0.00 C ATOM 0 H THR A 2 -14.319 3.400 -6.074 1.00 0.00 H new ATOM 0 HA THR A 2 -16.617 3.706 -7.904 1.00 0.00 H new ATOM 0 HB THR A 2 -17.343 5.511 -6.281 1.00 0.00 H new ATOM 0 HG1 THR A 2 -15.373 4.231 -4.613 1.00 0.00 H new ATOM 0 HG21 THR A 2 -18.310 3.928 -4.651 1.00 0.00 H new ATOM 0 HG22 THR A 2 -18.417 3.307 -6.315 1.00 0.00 H new ATOM 0 HG23 THR A 2 -17.178 2.672 -5.206 1.00 0.00 H new ATOM 32 N PRO A 3 -15.936 6.166 -8.576 1.00 0.00 N ATOM 33 CA PRO A 3 -15.359 7.350 -9.236 1.00 0.00 C ATOM 34 C PRO A 3 -14.811 8.378 -8.244 1.00 0.00 C ATOM 35 O PRO A 3 -13.870 9.108 -8.554 1.00 0.00 O ATOM 36 CB PRO A 3 -16.541 7.942 -10.017 1.00 0.00 C ATOM 37 CG PRO A 3 -17.536 6.837 -10.123 1.00 0.00 C ATOM 38 CD PRO A 3 -17.367 6.009 -8.889 1.00 0.00 C ATOM 0 HA PRO A 3 -14.507 7.081 -9.860 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -16.963 8.803 -9.499 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -16.228 8.286 -11.003 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -18.550 7.231 -10.193 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -17.363 6.241 -11.019 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -17.999 6.364 -8.075 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -17.629 4.966 -9.064 1.00 0.00 H new ATOM 46 N GLU A 4 -15.400 8.417 -7.050 1.00 0.00 N ATOM 47 CA GLU A 4 -14.982 9.352 -6.008 1.00 0.00 C ATOM 48 C GLU A 4 -13.627 8.962 -5.417 1.00 0.00 C ATOM 49 O GLU A 4 -12.877 9.818 -4.947 1.00 0.00 O ATOM 50 CB GLU A 4 -16.037 9.401 -4.900 1.00 0.00 C ATOM 51 CG GLU A 4 -16.121 10.745 -4.197 1.00 0.00 C ATOM 52 CD GLU A 4 -16.954 11.753 -4.964 1.00 0.00 C ATOM 53 OE1 GLU A 4 -18.199 11.664 -4.901 1.00 0.00 O ATOM 54 OE2 GLU A 4 -16.364 12.629 -5.629 1.00 0.00 O ATOM 0 H GLU A 4 -16.172 7.808 -6.780 1.00 0.00 H new ATOM 0 HA GLU A 4 -14.880 10.338 -6.462 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -17.011 9.163 -5.327 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -15.814 8.629 -4.164 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -16.549 10.606 -3.204 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -15.115 11.141 -4.057 1.00 0.00 H new ATOM 61 N GLN A 5 -13.316 7.670 -5.453 1.00 0.00 N ATOM 62 CA GLN A 5 -12.057 7.167 -4.912 1.00 0.00 C ATOM 63 C GLN A 5 -10.879 7.539 -5.805 1.00 0.00 C ATOM 64 O GLN A 5 -9.787 7.821 -5.318 1.00 0.00 O ATOM 65 CB GLN A 5 -12.122 5.648 -4.747 1.00 0.00 C ATOM 66 CG GLN A 5 -12.897 5.201 -3.520 1.00 0.00 C ATOM 67 CD GLN A 5 -12.940 3.695 -3.382 1.00 0.00 C ATOM 68 OE1 GLN A 5 -13.780 3.030 -3.984 1.00 0.00 O ATOM 69 NE2 GLN A 5 -12.029 3.149 -2.590 1.00 0.00 N ATOM 0 H GLN A 5 -13.919 6.951 -5.852 1.00 0.00 H new ATOM 0 HA GLN A 5 -11.905 7.632 -3.938 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -12.582 5.214 -5.635 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -11.107 5.254 -4.689 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -12.441 5.632 -2.629 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -13.915 5.587 -3.576 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -11.351 3.740 -2.110 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -12.006 2.138 -2.461 1.00 0.00 H new ATOM 78 N ARG A 6 -11.117 7.545 -7.114 1.00 0.00 N ATOM 79 CA ARG A 6 -10.080 7.866 -8.094 1.00 0.00 C ATOM 80 C ARG A 6 -9.763 9.362 -8.125 1.00 0.00 C ATOM 81 O ARG A 6 -8.817 9.785 -8.788 1.00 0.00 O ATOM 82 CB ARG A 6 -10.516 7.401 -9.483 1.00 0.00 C ATOM 83 CG ARG A 6 -10.384 5.901 -9.689 1.00 0.00 C ATOM 84 CD ARG A 6 -10.697 5.504 -11.122 1.00 0.00 C ATOM 85 NE ARG A 6 -10.595 4.061 -11.326 1.00 0.00 N ATOM 86 CZ ARG A 6 -10.695 3.474 -12.516 1.00 0.00 C ATOM 87 NH1 ARG A 6 -10.898 4.201 -13.606 1.00 0.00 N ATOM 88 NH2 ARG A 6 -10.592 2.155 -12.615 1.00 0.00 N ATOM 0 H ARG A 6 -12.026 7.330 -7.524 1.00 0.00 H new ATOM 0 HA ARG A 6 -9.172 7.342 -7.795 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -11.554 7.692 -9.646 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -9.918 7.917 -10.234 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -9.372 5.586 -9.436 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -11.059 5.379 -9.010 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -11.703 5.836 -11.378 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -10.011 6.015 -11.798 1.00 0.00 H new ATOM 0 HE ARG A 6 -10.438 3.470 -10.510 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -10.978 5.215 -13.535 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -10.974 3.746 -14.516 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -10.436 1.591 -11.779 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -10.669 1.704 -13.527 1.00 0.00 H new ATOM 102 N GLU A 7 -10.561 10.156 -7.418 1.00 0.00 N ATOM 103 CA GLU A 7 -10.358 11.600 -7.374 1.00 0.00 C ATOM 104 C GLU A 7 -9.529 12.009 -6.156 1.00 0.00 C ATOM 105 O GLU A 7 -8.734 12.947 -6.224 1.00 0.00 O ATOM 106 CB GLU A 7 -11.707 12.323 -7.358 1.00 0.00 C ATOM 107 CG GLU A 7 -12.411 12.324 -8.706 1.00 0.00 C ATOM 108 CD GLU A 7 -13.746 13.040 -8.670 1.00 0.00 C ATOM 109 OE1 GLU A 7 -13.758 14.283 -8.799 1.00 0.00 O ATOM 110 OE2 GLU A 7 -14.781 12.358 -8.519 1.00 0.00 O ATOM 0 H GLU A 7 -11.354 9.824 -6.868 1.00 0.00 H new ATOM 0 HA GLU A 7 -9.807 11.888 -8.269 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -12.355 11.851 -6.619 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -11.554 13.353 -7.036 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -11.768 12.800 -9.446 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -12.564 11.295 -9.032 1.00 0.00 H new ATOM 117 N PHE A 8 -9.709 11.292 -5.046 1.00 0.00 N ATOM 118 CA PHE A 8 -8.980 11.590 -3.812 1.00 0.00 C ATOM 119 C PHE A 8 -7.721 10.734 -3.677 1.00 0.00 C ATOM 120 O PHE A 8 -6.909 10.951 -2.779 1.00 0.00 O ATOM 121 CB PHE A 8 -9.886 11.374 -2.596 1.00 0.00 C ATOM 122 CG PHE A 8 -10.940 12.434 -2.441 1.00 0.00 C ATOM 123 CD1 PHE A 8 -12.174 12.292 -3.052 1.00 0.00 C ATOM 124 CD2 PHE A 8 -10.694 13.572 -1.691 1.00 0.00 C ATOM 125 CE1 PHE A 8 -13.146 13.265 -2.919 1.00 0.00 C ATOM 126 CE2 PHE A 8 -11.661 14.550 -1.555 1.00 0.00 C ATOM 127 CZ PHE A 8 -12.889 14.396 -2.170 1.00 0.00 C ATOM 0 H PHE A 8 -10.351 10.503 -4.976 1.00 0.00 H new ATOM 0 HA PHE A 8 -8.673 12.635 -3.857 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -10.370 10.401 -2.681 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -9.273 11.348 -1.695 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -12.380 11.410 -3.640 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -9.736 13.696 -1.207 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -14.105 13.141 -3.400 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -11.457 15.434 -0.969 1.00 0.00 H new ATOM 0 HZ PHE A 8 -13.646 15.159 -2.065 1.00 0.00 H new ATOM 137 N LEU A 9 -7.562 9.768 -4.577 1.00 0.00 N ATOM 138 CA LEU A 9 -6.406 8.869 -4.556 1.00 0.00 C ATOM 139 C LEU A 9 -5.105 9.540 -5.041 1.00 0.00 C ATOM 140 O LEU A 9 -4.064 9.373 -4.405 1.00 0.00 O ATOM 141 CB LEU A 9 -6.684 7.614 -5.389 1.00 0.00 C ATOM 142 CG LEU A 9 -6.029 6.330 -4.870 1.00 0.00 C ATOM 143 CD1 LEU A 9 -6.899 5.673 -3.810 1.00 0.00 C ATOM 144 CD2 LEU A 9 -5.769 5.362 -6.014 1.00 0.00 C ATOM 0 H LEU A 9 -8.221 9.585 -5.334 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.254 8.594 -3.512 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -7.762 7.460 -5.436 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.342 7.791 -6.409 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.074 6.595 -4.416 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.415 4.763 -3.455 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -7.037 6.360 -2.975 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -7.870 5.424 -4.239 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.303 4.456 -5.625 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.713 5.107 -6.496 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.104 5.828 -6.741 1.00 0.00 H new ATOM 156 N PRO A 10 -5.120 10.293 -6.172 1.00 0.00 N ATOM 157 CA PRO A 10 -3.909 10.950 -6.692 1.00 0.00 C ATOM 158 C PRO A 10 -3.414 12.093 -5.802 1.00 0.00 C ATOM 159 O PRO A 10 -2.311 12.605 -5.997 1.00 0.00 O ATOM 160 CB PRO A 10 -4.340 11.497 -8.066 1.00 0.00 C ATOM 161 CG PRO A 10 -5.650 10.851 -8.363 1.00 0.00 C ATOM 162 CD PRO A 10 -6.280 10.561 -7.036 1.00 0.00 C ATOM 0 HA PRO A 10 -3.076 10.249 -6.737 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -4.435 12.583 -8.043 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -3.602 11.257 -8.832 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -6.283 11.509 -8.959 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -5.512 9.935 -8.937 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -6.866 11.406 -6.674 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -6.952 9.705 -7.087 1.00 0.00 H new ATOM 170 N GLU A 11 -4.226 12.484 -4.822 1.00 0.00 N ATOM 171 CA GLU A 11 -3.865 13.568 -3.914 1.00 0.00 C ATOM 172 C GLU A 11 -3.133 13.041 -2.678 1.00 0.00 C ATOM 173 O GLU A 11 -2.167 13.648 -2.215 1.00 0.00 O ATOM 174 CB GLU A 11 -5.118 14.338 -3.497 1.00 0.00 C ATOM 175 CG GLU A 11 -5.689 15.213 -4.604 1.00 0.00 C ATOM 176 CD GLU A 11 -6.924 15.969 -4.162 1.00 0.00 C ATOM 177 OE1 GLU A 11 -8.031 15.399 -4.247 1.00 0.00 O ATOM 178 OE2 GLU A 11 -6.784 17.131 -3.727 1.00 0.00 O ATOM 0 H GLU A 11 -5.138 12.066 -4.637 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.188 14.239 -4.442 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.881 13.629 -3.175 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.881 14.963 -2.636 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.929 15.923 -4.931 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.935 14.591 -5.465 1.00 0.00 H new ATOM 185 N ILE A 12 -3.593 11.906 -2.155 1.00 0.00 N ATOM 186 CA ILE A 12 -2.984 11.298 -0.973 1.00 0.00 C ATOM 187 C ILE A 12 -1.661 10.611 -1.311 1.00 0.00 C ATOM 188 O ILE A 12 -0.773 10.514 -0.463 1.00 0.00 O ATOM 189 CB ILE A 12 -3.927 10.285 -0.278 1.00 0.00 C ATOM 190 CG1 ILE A 12 -4.586 9.349 -1.294 1.00 0.00 C ATOM 191 CG2 ILE A 12 -4.992 11.021 0.521 1.00 0.00 C ATOM 192 CD1 ILE A 12 -3.942 7.981 -1.369 1.00 0.00 C ATOM 0 H ILE A 12 -4.387 11.388 -2.532 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.793 12.118 -0.281 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.326 9.678 0.399 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.639 9.232 -1.037 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.548 9.813 -2.280 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -5.649 10.298 1.005 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -4.514 11.641 1.279 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.577 11.652 -0.148 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.463 7.374 -2.110 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.896 8.087 -1.657 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -4.003 7.496 -0.395 1.00 0.00 H new ATOM 204 N LEU A 13 -1.551 10.118 -2.549 1.00 0.00 N ATOM 205 CA LEU A 13 -0.347 9.422 -3.014 1.00 0.00 C ATOM 206 C LEU A 13 0.917 10.266 -2.819 1.00 0.00 C ATOM 207 O LEU A 13 1.971 9.737 -2.475 1.00 0.00 O ATOM 208 CB LEU A 13 -0.495 9.042 -4.492 1.00 0.00 C ATOM 209 CG LEU A 13 0.148 7.708 -4.890 1.00 0.00 C ATOM 210 CD1 LEU A 13 -0.659 7.028 -5.986 1.00 0.00 C ATOM 211 CD2 LEU A 13 1.584 7.918 -5.344 1.00 0.00 C ATOM 0 H LEU A 13 -2.287 10.189 -3.251 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.239 8.520 -2.411 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.557 9.003 -4.736 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.057 9.834 -5.100 1.00 0.00 H new ATOM 0 HG LEU A 13 0.154 7.060 -4.013 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.186 6.083 -6.254 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.671 6.838 -5.628 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.699 7.675 -6.863 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.022 6.959 -5.622 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.599 8.587 -6.205 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.162 8.359 -4.532 1.00 0.00 H new ATOM 223 N ALA A 14 0.807 11.574 -3.034 1.00 0.00 N ATOM 224 CA ALA A 14 1.944 12.480 -2.884 1.00 0.00 C ATOM 225 C ALA A 14 2.459 12.504 -1.443 1.00 0.00 C ATOM 226 O ALA A 14 3.667 12.489 -1.207 1.00 0.00 O ATOM 227 CB ALA A 14 1.555 13.882 -3.332 1.00 0.00 C ATOM 0 H ALA A 14 -0.060 12.032 -3.314 1.00 0.00 H new ATOM 0 HA ALA A 14 2.753 12.113 -3.516 1.00 0.00 H new ATOM 0 HB1 ALA A 14 2.408 14.551 -3.217 1.00 0.00 H new ATOM 0 HB2 ALA A 14 1.251 13.858 -4.379 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.727 14.242 -2.722 1.00 0.00 H new ATOM 233 N GLU A 15 1.531 12.533 -0.488 1.00 0.00 N ATOM 234 CA GLU A 15 1.881 12.570 0.933 1.00 0.00 C ATOM 235 C GLU A 15 2.375 11.217 1.460 1.00 0.00 C ATOM 236 O GLU A 15 2.914 11.148 2.563 1.00 0.00 O ATOM 237 CB GLU A 15 0.679 13.023 1.761 1.00 0.00 C ATOM 238 CG GLU A 15 0.370 14.507 1.644 1.00 0.00 C ATOM 239 CD GLU A 15 -0.828 14.913 2.479 1.00 0.00 C ATOM 240 OE1 GLU A 15 -1.960 14.864 1.955 1.00 0.00 O ATOM 241 OE2 GLU A 15 -0.635 15.271 3.660 1.00 0.00 O ATOM 0 H GLU A 15 0.528 12.532 -0.672 1.00 0.00 H new ATOM 0 HA GLU A 15 2.701 13.282 1.032 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.198 12.454 1.451 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.861 12.782 2.808 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.241 15.083 1.958 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.183 14.756 0.599 1.00 0.00 H new ATOM 248 N ILE A 16 2.199 10.144 0.690 1.00 0.00 N ATOM 249 CA ILE A 16 2.632 8.822 1.148 1.00 0.00 C ATOM 250 C ILE A 16 4.036 8.460 0.651 1.00 0.00 C ATOM 251 O ILE A 16 4.736 7.696 1.305 1.00 0.00 O ATOM 252 CB ILE A 16 1.631 7.699 0.765 1.00 0.00 C ATOM 253 CG1 ILE A 16 1.870 6.462 1.635 1.00 0.00 C ATOM 254 CG2 ILE A 16 1.742 7.332 -0.707 1.00 0.00 C ATOM 255 CD1 ILE A 16 0.621 5.657 1.911 1.00 0.00 C ATOM 0 H ILE A 16 1.769 10.160 -0.235 1.00 0.00 H new ATOM 0 HA ILE A 16 2.662 8.892 2.235 1.00 0.00 H new ATOM 0 HB ILE A 16 0.623 8.075 0.941 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.603 5.821 1.145 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.305 6.776 2.584 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.027 6.543 -0.940 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.527 8.209 -1.318 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.752 6.981 -0.919 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.872 4.798 2.533 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.106 6.281 2.430 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.195 5.311 0.969 1.00 0.00 H new ATOM 267 N ILE A 17 4.460 9.012 -0.486 1.00 0.00 N ATOM 268 CA ILE A 17 5.791 8.702 -1.021 1.00 0.00 C ATOM 269 C ILE A 17 6.900 9.174 -0.078 1.00 0.00 C ATOM 270 O ILE A 17 7.928 8.512 0.069 1.00 0.00 O ATOM 271 CB ILE A 17 6.025 9.331 -2.413 1.00 0.00 C ATOM 272 CG1 ILE A 17 4.848 9.042 -3.345 1.00 0.00 C ATOM 273 CG2 ILE A 17 7.316 8.805 -3.025 1.00 0.00 C ATOM 274 CD1 ILE A 17 4.670 10.073 -4.440 1.00 0.00 C ATOM 0 H ILE A 17 3.914 9.665 -1.048 1.00 0.00 H new ATOM 0 HA ILE A 17 5.827 7.617 -1.115 1.00 0.00 H new ATOM 0 HB ILE A 17 6.109 10.410 -2.286 1.00 0.00 H new ATOM 0 HG12 ILE A 17 4.989 8.062 -3.801 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.933 8.990 -2.755 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.465 9.258 -4.005 1.00 0.00 H new ATOM 0 HG22 ILE A 17 8.155 9.057 -2.377 1.00 0.00 H new ATOM 0 HG23 ILE A 17 7.253 7.722 -3.132 1.00 0.00 H new ATOM 0 HD11 ILE A 17 3.816 9.801 -5.061 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.497 11.052 -3.993 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.569 10.109 -5.055 1.00 0.00 H new ATOM 286 N ALA A 18 6.674 10.309 0.576 1.00 0.00 N ATOM 287 CA ALA A 18 7.658 10.881 1.488 1.00 0.00 C ATOM 288 C ALA A 18 7.471 10.400 2.928 1.00 0.00 C ATOM 289 O ALA A 18 8.317 10.662 3.782 1.00 0.00 O ATOM 290 CB ALA A 18 7.594 12.400 1.428 1.00 0.00 C ATOM 0 H ALA A 18 5.815 10.852 0.491 1.00 0.00 H new ATOM 0 HA ALA A 18 8.641 10.539 1.164 1.00 0.00 H new ATOM 0 HB1 ALA A 18 8.331 12.822 2.111 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.807 12.733 0.412 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.598 12.734 1.718 1.00 0.00 H new ATOM 296 N ASN A 19 6.367 9.704 3.204 1.00 0.00 N ATOM 297 CA ASN A 19 6.097 9.221 4.560 1.00 0.00 C ATOM 298 C ASN A 19 5.988 7.698 4.621 1.00 0.00 C ATOM 299 O ASN A 19 5.426 7.148 5.570 1.00 0.00 O ATOM 300 CB ASN A 19 4.808 9.849 5.094 1.00 0.00 C ATOM 301 CG ASN A 19 5.000 11.290 5.524 1.00 0.00 C ATOM 302 OD1 ASN A 19 5.340 11.566 6.673 1.00 0.00 O ATOM 303 ND2 ASN A 19 4.782 12.218 4.600 1.00 0.00 N ATOM 0 H ASN A 19 5.653 9.464 2.516 1.00 0.00 H new ATOM 0 HA ASN A 19 6.942 9.518 5.182 1.00 0.00 H new ATOM 0 HB2 ASN A 19 4.038 9.802 4.323 1.00 0.00 H new ATOM 0 HB3 ASN A 19 4.447 9.265 5.941 1.00 0.00 H new ATOM 0 HD21 ASN A 19 4.895 13.205 4.832 1.00 0.00 H new ATOM 0 HD22 ASN A 19 4.501 11.944 3.658 1.00 0.00 H new ATOM 310 N LEU A 20 6.525 7.017 3.617 1.00 0.00 N ATOM 311 CA LEU A 20 6.476 5.557 3.582 1.00 0.00 C ATOM 312 C LEU A 20 7.842 4.967 3.270 1.00 0.00 C ATOM 313 O LEU A 20 8.629 5.549 2.523 1.00 0.00 O ATOM 314 CB LEU A 20 5.463 5.070 2.542 1.00 0.00 C ATOM 315 CG LEU A 20 5.092 3.588 2.633 1.00 0.00 C ATOM 316 CD1 LEU A 20 3.873 3.398 3.520 1.00 0.00 C ATOM 317 CD2 LEU A 20 4.833 3.018 1.246 1.00 0.00 C ATOM 0 H LEU A 20 6.997 7.446 2.821 1.00 0.00 H new ATOM 0 HA LEU A 20 6.165 5.220 4.571 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.553 5.662 2.641 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.865 5.266 1.548 1.00 0.00 H new ATOM 0 HG LEU A 20 5.930 3.050 3.077 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.623 2.338 3.573 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.090 3.771 4.521 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.030 3.949 3.103 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.571 1.963 1.329 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.012 3.560 0.777 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.731 3.121 0.637 1.00 0.00 H new ATOM 329 N ASP A 21 8.112 3.805 3.850 1.00 0.00 N ATOM 330 CA ASP A 21 9.374 3.111 3.634 1.00 0.00 C ATOM 331 C ASP A 21 9.116 1.724 3.054 1.00 0.00 C ATOM 332 O ASP A 21 8.787 0.793 3.786 1.00 0.00 O ATOM 333 CB ASP A 21 10.153 3.003 4.948 1.00 0.00 C ATOM 334 CG ASP A 21 10.800 4.317 5.344 1.00 0.00 C ATOM 335 OD1 ASP A 21 10.088 5.196 5.874 1.00 0.00 O ATOM 336 OD2 ASP A 21 12.019 4.468 5.121 1.00 0.00 O ATOM 0 H ASP A 21 7.469 3.321 4.477 1.00 0.00 H new ATOM 0 HA ASP A 21 9.972 3.682 2.924 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.480 2.679 5.741 1.00 0.00 H new ATOM 0 HB3 ASP A 21 10.922 2.237 4.850 1.00 0.00 H new ATOM 341 N PRO A 22 9.263 1.579 1.722 1.00 0.00 N ATOM 342 CA PRO A 22 9.031 0.308 1.011 1.00 0.00 C ATOM 343 C PRO A 22 9.944 -0.831 1.468 1.00 0.00 C ATOM 344 O PRO A 22 9.634 -1.998 1.253 1.00 0.00 O ATOM 345 CB PRO A 22 9.330 0.652 -0.454 1.00 0.00 C ATOM 346 CG PRO A 22 9.225 2.134 -0.539 1.00 0.00 C ATOM 347 CD PRO A 22 9.663 2.654 0.797 1.00 0.00 C ATOM 0 HA PRO A 22 8.020 -0.056 1.196 1.00 0.00 H new ATOM 0 HB2 PRO A 22 10.324 0.311 -0.743 1.00 0.00 H new ATOM 0 HB3 PRO A 22 8.620 0.168 -1.124 1.00 0.00 H new ATOM 0 HG2 PRO A 22 9.857 2.525 -1.337 1.00 0.00 H new ATOM 0 HG3 PRO A 22 8.203 2.441 -0.762 1.00 0.00 H new ATOM 0 HD2 PRO A 22 10.738 2.833 0.827 1.00 0.00 H new ATOM 0 HD3 PRO A 22 9.176 3.598 1.041 1.00 0.00 H new ATOM 355 N THR A 23 11.062 -0.487 2.092 1.00 0.00 N ATOM 356 CA THR A 23 12.022 -1.480 2.562 1.00 0.00 C ATOM 357 C THR A 23 11.559 -2.190 3.836 1.00 0.00 C ATOM 358 O THR A 23 11.630 -3.415 3.933 1.00 0.00 O ATOM 359 CB THR A 23 13.386 -0.823 2.839 1.00 0.00 C ATOM 360 OG1 THR A 23 13.194 0.460 3.451 1.00 0.00 O ATOM 361 CG2 THR A 23 14.183 -0.661 1.551 1.00 0.00 C ATOM 0 H THR A 23 11.329 0.478 2.286 1.00 0.00 H new ATOM 0 HA THR A 23 12.108 -2.221 1.767 1.00 0.00 H new ATOM 0 HB THR A 23 13.946 -1.470 3.514 1.00 0.00 H new ATOM 0 HG1 THR A 23 14.065 0.872 3.626 1.00 0.00 H new ATOM 0 HG21 THR A 23 15.143 -0.195 1.773 1.00 0.00 H new ATOM 0 HG22 THR A 23 14.351 -1.640 1.101 1.00 0.00 H new ATOM 0 HG23 THR A 23 13.627 -0.033 0.855 1.00 0.00 H new ATOM 369 N LYS A 24 11.083 -1.413 4.805 1.00 0.00 N ATOM 370 CA LYS A 24 10.648 -1.956 6.092 1.00 0.00 C ATOM 371 C LYS A 24 9.321 -2.714 6.014 1.00 0.00 C ATOM 372 O LYS A 24 9.090 -3.638 6.794 1.00 0.00 O ATOM 373 CB LYS A 24 10.538 -0.833 7.124 1.00 0.00 C ATOM 374 CG LYS A 24 11.039 -1.222 8.506 1.00 0.00 C ATOM 375 CD LYS A 24 10.979 -0.048 9.471 1.00 0.00 C ATOM 376 CE LYS A 24 9.747 -0.118 10.358 1.00 0.00 C ATOM 377 NZ LYS A 24 9.641 1.062 11.260 1.00 0.00 N ATOM 0 H LYS A 24 10.988 -0.401 4.724 1.00 0.00 H new ATOM 0 HA LYS A 24 11.407 -2.678 6.394 1.00 0.00 H new ATOM 0 HB2 LYS A 24 11.104 0.029 6.771 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.496 -0.521 7.199 1.00 0.00 H new ATOM 0 HG2 LYS A 24 10.438 -2.044 8.894 1.00 0.00 H new ATOM 0 HG3 LYS A 24 12.065 -1.583 8.434 1.00 0.00 H new ATOM 0 HD2 LYS A 24 11.875 -0.040 10.091 1.00 0.00 H new ATOM 0 HD3 LYS A 24 10.971 0.886 8.909 1.00 0.00 H new ATOM 0 HE2 LYS A 24 8.855 -0.179 9.735 1.00 0.00 H new ATOM 0 HE3 LYS A 24 9.782 -1.029 10.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 8.676 1.119 11.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 10.320 0.964 12.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 9.852 1.928 10.725 1.00 0.00 H new ATOM 391 N ILE A 25 8.451 -2.335 5.085 1.00 0.00 N ATOM 392 CA ILE A 25 7.148 -2.993 4.966 1.00 0.00 C ATOM 393 C ILE A 25 7.192 -4.226 4.062 1.00 0.00 C ATOM 394 O ILE A 25 6.456 -5.187 4.287 1.00 0.00 O ATOM 395 CB ILE A 25 6.054 -2.028 4.456 1.00 0.00 C ATOM 396 CG1 ILE A 25 6.506 -1.319 3.182 1.00 0.00 C ATOM 397 CG2 ILE A 25 5.695 -1.012 5.531 1.00 0.00 C ATOM 398 CD1 ILE A 25 5.366 -0.981 2.252 1.00 0.00 C ATOM 0 H ILE A 25 8.617 -1.588 4.411 1.00 0.00 H new ATOM 0 HA ILE A 25 6.895 -3.315 5.976 1.00 0.00 H new ATOM 0 HB ILE A 25 5.166 -2.615 4.223 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.031 -0.402 3.451 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.220 -1.952 2.656 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.923 -0.341 5.154 1.00 0.00 H new ATOM 0 HG22 ILE A 25 5.324 -1.532 6.414 1.00 0.00 H new ATOM 0 HG23 ILE A 25 6.581 -0.434 5.796 1.00 0.00 H new ATOM 0 HD11 ILE A 25 5.756 -0.479 1.366 1.00 0.00 H new ATOM 0 HD12 ILE A 25 4.855 -1.897 1.955 1.00 0.00 H new ATOM 0 HD13 ILE A 25 4.663 -0.323 2.762 1.00 0.00 H new ATOM 410 N LEU A 26 8.052 -4.196 3.046 1.00 0.00 N ATOM 411 CA LEU A 26 8.169 -5.310 2.103 1.00 0.00 C ATOM 412 C LEU A 26 8.686 -6.578 2.778 1.00 0.00 C ATOM 413 O LEU A 26 8.274 -7.685 2.430 1.00 0.00 O ATOM 414 CB LEU A 26 9.100 -4.933 0.951 1.00 0.00 C ATOM 415 CG LEU A 26 8.814 -5.639 -0.371 1.00 0.00 C ATOM 416 CD1 LEU A 26 7.621 -5.001 -1.061 1.00 0.00 C ATOM 417 CD2 LEU A 26 10.039 -5.600 -1.270 1.00 0.00 C ATOM 0 H LEU A 26 8.678 -3.414 2.853 1.00 0.00 H new ATOM 0 HA LEU A 26 7.169 -5.514 1.720 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.037 -3.857 0.791 1.00 0.00 H new ATOM 0 HB3 LEU A 26 10.126 -5.152 1.247 1.00 0.00 H new ATOM 0 HG LEU A 26 8.575 -6.682 -0.165 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.428 -5.514 -2.003 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.744 -5.080 -0.418 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.833 -3.950 -1.258 1.00 0.00 H new ATOM 0 HD21 LEU A 26 9.818 -6.108 -2.209 1.00 0.00 H new ATOM 0 HD22 LEU A 26 10.308 -4.564 -1.473 1.00 0.00 H new ATOM 0 HD23 LEU A 26 10.871 -6.101 -0.774 1.00 0.00 H new ATOM 429 N GLU A 27 9.578 -6.403 3.749 1.00 0.00 N ATOM 430 CA GLU A 27 10.179 -7.523 4.470 1.00 0.00 C ATOM 431 C GLU A 27 9.154 -8.305 5.297 1.00 0.00 C ATOM 432 O GLU A 27 9.262 -9.524 5.432 1.00 0.00 O ATOM 433 CB GLU A 27 11.295 -7.009 5.380 1.00 0.00 C ATOM 434 CG GLU A 27 12.545 -6.576 4.627 1.00 0.00 C ATOM 435 CD GLU A 27 13.410 -7.747 4.203 1.00 0.00 C ATOM 436 OE1 GLU A 27 14.296 -8.144 4.988 1.00 0.00 O ATOM 437 OE2 GLU A 27 13.202 -8.266 3.086 1.00 0.00 O ATOM 0 H GLU A 27 9.904 -5.487 4.058 1.00 0.00 H new ATOM 0 HA GLU A 27 10.585 -8.209 3.727 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.920 -6.166 5.960 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.562 -7.791 6.091 1.00 0.00 H new ATOM 0 HG2 GLU A 27 12.253 -6.007 3.744 1.00 0.00 H new ATOM 0 HG3 GLU A 27 13.130 -5.907 5.258 1.00 0.00 H new ATOM 444 N GLU A 28 8.159 -7.602 5.833 1.00 0.00 N ATOM 445 CA GLU A 28 7.132 -8.232 6.661 1.00 0.00 C ATOM 446 C GLU A 28 6.139 -9.041 5.827 1.00 0.00 C ATOM 447 O GLU A 28 5.543 -10.002 6.318 1.00 0.00 O ATOM 448 CB GLU A 28 6.383 -7.166 7.466 1.00 0.00 C ATOM 449 CG GLU A 28 7.195 -6.593 8.619 1.00 0.00 C ATOM 450 CD GLU A 28 7.235 -7.515 9.822 1.00 0.00 C ATOM 451 OE1 GLU A 28 6.303 -7.448 10.651 1.00 0.00 O ATOM 452 OE2 GLU A 28 8.197 -8.303 9.935 1.00 0.00 O ATOM 0 H GLU A 28 8.042 -6.596 5.709 1.00 0.00 H new ATOM 0 HA GLU A 28 7.636 -8.922 7.338 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.093 -6.355 6.798 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.463 -7.599 7.860 1.00 0.00 H new ATOM 0 HG2 GLU A 28 8.213 -6.400 8.280 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.770 -5.634 8.916 1.00 0.00 H new ATOM 459 N LEU A 29 5.968 -8.651 4.569 1.00 0.00 N ATOM 460 CA LEU A 29 5.039 -9.330 3.670 1.00 0.00 C ATOM 461 C LEU A 29 5.638 -10.610 3.092 1.00 0.00 C ATOM 462 O LEU A 29 4.926 -11.590 2.865 1.00 0.00 O ATOM 463 CB LEU A 29 4.631 -8.386 2.540 1.00 0.00 C ATOM 464 CG LEU A 29 3.718 -7.237 2.968 1.00 0.00 C ATOM 465 CD1 LEU A 29 3.907 -6.032 2.061 1.00 0.00 C ATOM 466 CD2 LEU A 29 2.268 -7.688 2.968 1.00 0.00 C ATOM 0 H LEU A 29 6.462 -7.865 4.146 1.00 0.00 H new ATOM 0 HA LEU A 29 4.160 -9.612 4.250 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.532 -7.968 2.090 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.127 -8.964 1.766 1.00 0.00 H new ATOM 0 HG LEU A 29 3.988 -6.941 3.982 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.248 -5.226 2.384 1.00 0.00 H new ATOM 0 HD12 LEU A 29 4.943 -5.696 2.113 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.667 -6.308 1.034 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.629 -6.860 3.275 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.987 -8.011 1.965 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.145 -8.518 3.664 1.00 0.00 H new ATOM 478 N LEU A 30 6.947 -10.593 2.860 1.00 0.00 N ATOM 479 CA LEU A 30 7.646 -11.745 2.296 1.00 0.00 C ATOM 480 C LEU A 30 7.787 -12.875 3.317 1.00 0.00 C ATOM 481 O LEU A 30 7.805 -14.051 2.950 1.00 0.00 O ATOM 482 CB LEU A 30 9.029 -11.328 1.795 1.00 0.00 C ATOM 483 CG LEU A 30 9.033 -10.461 0.536 1.00 0.00 C ATOM 484 CD1 LEU A 30 10.259 -9.560 0.513 1.00 0.00 C ATOM 485 CD2 LEU A 30 8.991 -11.337 -0.705 1.00 0.00 C ATOM 0 H LEU A 30 7.548 -9.792 3.054 1.00 0.00 H new ATOM 0 HA LEU A 30 7.050 -12.116 1.462 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.538 -10.785 2.592 1.00 0.00 H new ATOM 0 HB3 LEU A 30 9.613 -12.227 1.599 1.00 0.00 H new ATOM 0 HG LEU A 30 8.145 -9.829 0.545 1.00 0.00 H new ATOM 0 HD11 LEU A 30 10.245 -8.950 -0.390 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.250 -8.911 1.389 1.00 0.00 H new ATOM 0 HD13 LEU A 30 11.161 -10.172 0.524 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.994 -10.708 -1.595 1.00 0.00 H new ATOM 0 HD22 LEU A 30 9.864 -11.990 -0.719 1.00 0.00 H new ATOM 0 HD23 LEU A 30 8.085 -11.943 -0.692 1.00 0.00 H new ATOM 497 N ARG A 31 7.884 -12.510 4.594 1.00 0.00 N ATOM 498 CA ARG A 31 8.042 -13.487 5.670 1.00 0.00 C ATOM 499 C ARG A 31 6.757 -14.277 5.915 1.00 0.00 C ATOM 500 O ARG A 31 6.803 -15.428 6.349 1.00 0.00 O ATOM 501 CB ARG A 31 8.469 -12.782 6.955 1.00 0.00 C ATOM 502 CG ARG A 31 9.933 -12.378 6.966 1.00 0.00 C ATOM 503 CD ARG A 31 10.347 -11.812 8.312 1.00 0.00 C ATOM 504 NE ARG A 31 10.545 -12.862 9.310 1.00 0.00 N ATOM 505 CZ ARG A 31 11.011 -12.640 10.535 1.00 0.00 C ATOM 506 NH1 ARG A 31 11.326 -11.409 10.918 1.00 0.00 N ATOM 507 NH2 ARG A 31 11.162 -13.652 11.380 1.00 0.00 N ATOM 0 H ARG A 31 7.856 -11.541 4.910 1.00 0.00 H new ATOM 0 HA ARG A 31 8.813 -14.194 5.363 1.00 0.00 H new ATOM 0 HB2 ARG A 31 7.854 -11.893 7.094 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.275 -13.439 7.803 1.00 0.00 H new ATOM 0 HG2 ARG A 31 10.552 -13.244 6.729 1.00 0.00 H new ATOM 0 HG3 ARG A 31 10.112 -11.636 6.188 1.00 0.00 H new ATOM 0 HD2 ARG A 31 11.269 -11.242 8.198 1.00 0.00 H new ATOM 0 HD3 ARG A 31 9.584 -11.117 8.663 1.00 0.00 H new ATOM 0 HE ARG A 31 10.312 -13.821 9.051 1.00 0.00 H new ATOM 0 HH11 ARG A 31 11.211 -10.629 10.271 1.00 0.00 H new ATOM 0 HH12 ARG A 31 11.683 -11.243 11.859 1.00 0.00 H new ATOM 0 HH21 ARG A 31 10.921 -14.599 11.089 1.00 0.00 H new ATOM 0 HH22 ARG A 31 11.520 -13.482 12.320 1.00 0.00 H new ATOM 521 N ARG A 32 5.615 -13.656 5.639 1.00 0.00 N ATOM 522 CA ARG A 32 4.324 -14.308 5.840 1.00 0.00 C ATOM 523 C ARG A 32 3.911 -15.108 4.607 1.00 0.00 C ATOM 524 O ARG A 32 2.977 -15.908 4.662 1.00 0.00 O ATOM 525 CB ARG A 32 3.254 -13.269 6.181 1.00 0.00 C ATOM 526 CG ARG A 32 3.496 -12.570 7.509 1.00 0.00 C ATOM 527 CD ARG A 32 2.236 -11.893 8.023 1.00 0.00 C ATOM 528 NE ARG A 32 2.451 -11.242 9.314 1.00 0.00 N ATOM 529 CZ ARG A 32 1.480 -10.673 10.025 1.00 0.00 C ATOM 530 NH1 ARG A 32 0.233 -10.676 9.575 1.00 0.00 N ATOM 531 NH2 ARG A 32 1.757 -10.102 11.189 1.00 0.00 N ATOM 0 H ARG A 32 5.556 -12.704 5.276 1.00 0.00 H new ATOM 0 HA ARG A 32 4.423 -15.003 6.674 1.00 0.00 H new ATOM 0 HB2 ARG A 32 3.216 -12.523 5.387 1.00 0.00 H new ATOM 0 HB3 ARG A 32 2.279 -13.756 6.207 1.00 0.00 H new ATOM 0 HG2 ARG A 32 3.846 -13.295 8.244 1.00 0.00 H new ATOM 0 HG3 ARG A 32 4.286 -11.828 7.392 1.00 0.00 H new ATOM 0 HD2 ARG A 32 1.899 -11.154 7.296 1.00 0.00 H new ATOM 0 HD3 ARG A 32 1.440 -12.632 8.118 1.00 0.00 H new ATOM 0 HE ARG A 32 3.398 -11.223 9.691 1.00 0.00 H new ATOM 0 HH11 ARG A 32 0.015 -11.115 8.681 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -0.508 -10.239 10.123 1.00 0.00 H new ATOM 0 HH21 ARG A 32 2.715 -10.098 11.540 1.00 0.00 H new ATOM 0 HH22 ARG A 32 1.013 -9.666 11.733 1.00 0.00 H new ATOM 545 N GLY A 33 4.617 -14.888 3.501 1.00 0.00 N ATOM 546 CA GLY A 33 4.318 -15.597 2.270 1.00 0.00 C ATOM 547 C GLY A 33 3.147 -14.998 1.515 1.00 0.00 C ATOM 548 O GLY A 33 2.427 -15.707 0.814 1.00 0.00 O ATOM 0 H GLY A 33 5.393 -14.229 3.436 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.199 -15.590 1.629 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.100 -16.640 2.501 1.00 0.00 H new ATOM 552 N LEU A 34 2.956 -13.688 1.659 1.00 0.00 N ATOM 553 CA LEU A 34 1.861 -12.996 0.983 1.00 0.00 C ATOM 554 C LEU A 34 2.312 -12.396 -0.344 1.00 0.00 C ATOM 555 O LEU A 34 1.488 -12.077 -1.199 1.00 0.00 O ATOM 556 CB LEU A 34 1.303 -11.886 1.880 1.00 0.00 C ATOM 557 CG LEU A 34 -0.111 -11.409 1.531 1.00 0.00 C ATOM 558 CD1 LEU A 34 -0.889 -11.082 2.794 1.00 0.00 C ATOM 559 CD2 LEU A 34 -0.057 -10.199 0.606 1.00 0.00 C ATOM 0 H LEU A 34 3.543 -13.086 2.236 1.00 0.00 H new ATOM 0 HA LEU A 34 1.083 -13.732 0.780 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.305 -12.240 2.911 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.978 -11.031 1.835 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.626 -12.215 1.009 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.891 -10.745 2.527 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.960 -11.973 3.418 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.375 -10.293 3.344 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.071 -9.876 0.370 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.477 -9.387 1.100 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.462 -10.467 -0.314 1.00 0.00 H new ATOM 571 N LEU A 35 3.618 -12.275 -0.535 1.00 0.00 N ATOM 572 CA LEU A 35 4.135 -11.673 -1.750 1.00 0.00 C ATOM 573 C LEU A 35 4.817 -12.705 -2.644 1.00 0.00 C ATOM 574 O LEU A 35 5.593 -13.536 -2.170 1.00 0.00 O ATOM 575 CB LEU A 35 5.117 -10.555 -1.400 1.00 0.00 C ATOM 576 CG LEU A 35 4.845 -9.220 -2.095 1.00 0.00 C ATOM 577 CD1 LEU A 35 5.552 -8.087 -1.371 1.00 0.00 C ATOM 578 CD2 LEU A 35 5.272 -9.273 -3.555 1.00 0.00 C ATOM 0 H LEU A 35 4.329 -12.582 0.128 1.00 0.00 H new ATOM 0 HA LEU A 35 3.292 -11.259 -2.303 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.097 -10.398 -0.322 1.00 0.00 H new ATOM 0 HB3 LEU A 35 6.125 -10.883 -1.656 1.00 0.00 H new ATOM 0 HG LEU A 35 3.772 -9.032 -2.062 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.347 -7.145 -1.880 1.00 0.00 H new ATOM 0 HD12 LEU A 35 5.191 -8.030 -0.344 1.00 0.00 H new ATOM 0 HD13 LEU A 35 6.626 -8.271 -1.368 1.00 0.00 H new ATOM 0 HD21 LEU A 35 5.069 -8.313 -4.029 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.339 -9.489 -3.614 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.714 -10.056 -4.069 1.00 0.00 H new ATOM 590 N THR A 36 4.515 -12.643 -3.942 1.00 0.00 N ATOM 591 CA THR A 36 5.098 -13.563 -4.911 1.00 0.00 C ATOM 592 C THR A 36 6.295 -12.927 -5.611 1.00 0.00 C ATOM 593 O THR A 36 6.385 -11.705 -5.712 1.00 0.00 O ATOM 594 CB THR A 36 4.066 -13.995 -5.974 1.00 0.00 C ATOM 595 OG1 THR A 36 3.425 -12.844 -6.531 1.00 0.00 O ATOM 596 CG2 THR A 36 3.024 -14.925 -5.371 1.00 0.00 C ATOM 0 H THR A 36 3.869 -11.963 -4.344 1.00 0.00 H new ATOM 0 HA THR A 36 5.424 -14.444 -4.357 1.00 0.00 H new ATOM 0 HB THR A 36 4.593 -14.532 -6.763 1.00 0.00 H new ATOM 0 HG1 THR A 36 2.480 -12.839 -6.272 1.00 0.00 H new ATOM 0 HG21 THR A 36 2.308 -15.216 -6.139 1.00 0.00 H new ATOM 0 HG22 THR A 36 3.515 -15.815 -4.977 1.00 0.00 H new ATOM 0 HG23 THR A 36 2.502 -14.412 -4.564 1.00 0.00 H new ATOM 604 N PRO A 37 7.235 -13.756 -6.097 1.00 0.00 N ATOM 605 CA PRO A 37 8.435 -13.276 -6.800 1.00 0.00 C ATOM 606 C PRO A 37 8.112 -12.543 -8.103 1.00 0.00 C ATOM 607 O PRO A 37 8.891 -11.707 -8.553 1.00 0.00 O ATOM 608 CB PRO A 37 9.226 -14.562 -7.083 1.00 0.00 C ATOM 609 CG PRO A 37 8.228 -15.663 -6.991 1.00 0.00 C ATOM 610 CD PRO A 37 7.215 -15.222 -5.977 1.00 0.00 C ATOM 0 HA PRO A 37 8.982 -12.545 -6.204 1.00 0.00 H new ATOM 0 HB2 PRO A 37 9.688 -14.531 -8.070 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.029 -14.697 -6.359 1.00 0.00 H new ATOM 0 HG2 PRO A 37 7.758 -15.845 -7.958 1.00 0.00 H new ATOM 0 HG3 PRO A 37 8.703 -16.596 -6.687 1.00 0.00 H new ATOM 0 HD2 PRO A 37 6.227 -15.630 -6.191 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.483 -15.547 -4.972 1.00 0.00 H new ATOM 618 N ALA A 38 6.961 -12.857 -8.699 1.00 0.00 N ATOM 619 CA ALA A 38 6.531 -12.221 -9.943 1.00 0.00 C ATOM 620 C ALA A 38 6.137 -10.767 -9.700 1.00 0.00 C ATOM 621 O ALA A 38 6.538 -9.872 -10.442 1.00 0.00 O ATOM 622 CB ALA A 38 5.367 -12.990 -10.548 1.00 0.00 C ATOM 0 H ALA A 38 6.307 -13.552 -8.337 1.00 0.00 H new ATOM 0 HA ALA A 38 7.366 -12.235 -10.644 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.055 -12.508 -11.474 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.677 -14.013 -10.759 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.534 -13.001 -9.845 1.00 0.00 H new ATOM 628 N GLU A 39 5.351 -10.547 -8.650 1.00 0.00 N ATOM 629 CA GLU A 39 4.901 -9.207 -8.285 1.00 0.00 C ATOM 630 C GLU A 39 6.064 -8.384 -7.737 1.00 0.00 C ATOM 631 O GLU A 39 6.147 -7.171 -7.958 1.00 0.00 O ATOM 632 CB GLU A 39 3.790 -9.302 -7.237 1.00 0.00 C ATOM 633 CG GLU A 39 2.466 -9.806 -7.789 1.00 0.00 C ATOM 634 CD GLU A 39 1.494 -10.193 -6.692 1.00 0.00 C ATOM 635 OE1 GLU A 39 1.332 -9.406 -5.736 1.00 0.00 O ATOM 636 OE2 GLU A 39 0.899 -11.288 -6.785 1.00 0.00 O ATOM 0 H GLU A 39 5.011 -11.285 -8.033 1.00 0.00 H new ATOM 0 HA GLU A 39 4.515 -8.712 -9.176 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.115 -9.966 -6.436 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.637 -8.318 -6.793 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.017 -9.033 -8.413 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.647 -10.668 -8.431 1.00 0.00 H new ATOM 643 N LEU A 40 6.965 -9.065 -7.032 1.00 0.00 N ATOM 644 CA LEU A 40 8.131 -8.430 -6.431 1.00 0.00 C ATOM 645 C LEU A 40 9.126 -7.961 -7.479 1.00 0.00 C ATOM 646 O LEU A 40 9.609 -6.836 -7.413 1.00 0.00 O ATOM 647 CB LEU A 40 8.824 -9.398 -5.480 1.00 0.00 C ATOM 648 CG LEU A 40 9.648 -8.731 -4.374 1.00 0.00 C ATOM 649 CD1 LEU A 40 8.758 -8.342 -3.210 1.00 0.00 C ATOM 650 CD2 LEU A 40 10.769 -9.647 -3.902 1.00 0.00 C ATOM 0 H LEU A 40 6.906 -10.069 -6.863 1.00 0.00 H new ATOM 0 HA LEU A 40 7.776 -7.557 -5.883 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.069 -10.035 -5.018 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.479 -10.049 -6.060 1.00 0.00 H new ATOM 0 HG LEU A 40 10.098 -7.828 -4.786 1.00 0.00 H new ATOM 0 HD11 LEU A 40 9.360 -7.870 -2.434 1.00 0.00 H new ATOM 0 HD12 LEU A 40 7.995 -7.643 -3.553 1.00 0.00 H new ATOM 0 HD13 LEU A 40 8.278 -9.233 -2.805 1.00 0.00 H new ATOM 0 HD21 LEU A 40 11.339 -9.150 -3.117 1.00 0.00 H new ATOM 0 HD22 LEU A 40 10.343 -10.571 -3.512 1.00 0.00 H new ATOM 0 HD23 LEU A 40 11.428 -9.876 -4.739 1.00 0.00 H new ATOM 662 N GLN A 41 9.431 -8.834 -8.436 1.00 0.00 N ATOM 663 CA GLN A 41 10.376 -8.531 -9.494 1.00 0.00 C ATOM 664 C GLN A 41 9.978 -7.290 -10.283 1.00 0.00 C ATOM 665 O GLN A 41 10.836 -6.591 -10.814 1.00 0.00 O ATOM 666 CB GLN A 41 10.475 -9.724 -10.434 1.00 0.00 C ATOM 667 CG GLN A 41 11.864 -9.943 -10.988 1.00 0.00 C ATOM 668 CD GLN A 41 12.828 -10.509 -9.959 1.00 0.00 C ATOM 669 OE1 GLN A 41 12.864 -11.719 -9.734 1.00 0.00 O ATOM 670 NE2 GLN A 41 13.615 -9.643 -9.324 1.00 0.00 N ATOM 0 H GLN A 41 9.027 -9.769 -8.495 1.00 0.00 H new ATOM 0 HA GLN A 41 11.342 -8.328 -9.031 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.159 -10.622 -9.903 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.781 -9.582 -11.262 1.00 0.00 H new ATOM 0 HG2 GLN A 41 11.808 -10.623 -11.838 1.00 0.00 H new ATOM 0 HG3 GLN A 41 12.254 -8.996 -11.362 1.00 0.00 H new ATOM 0 HE21 GLN A 41 13.555 -8.648 -9.538 1.00 0.00 H new ATOM 0 HE22 GLN A 41 14.278 -9.975 -8.623 1.00 0.00 H new ATOM 679 N GLU A 42 8.680 -7.024 -10.352 1.00 0.00 N ATOM 680 CA GLU A 42 8.179 -5.871 -11.097 1.00 0.00 C ATOM 681 C GLU A 42 8.414 -4.561 -10.342 1.00 0.00 C ATOM 682 O GLU A 42 9.069 -3.642 -10.854 1.00 0.00 O ATOM 683 CB GLU A 42 6.690 -6.045 -11.401 1.00 0.00 C ATOM 684 CG GLU A 42 6.404 -6.439 -12.845 1.00 0.00 C ATOM 685 CD GLU A 42 6.596 -7.923 -13.106 1.00 0.00 C ATOM 686 OE1 GLU A 42 7.761 -8.375 -13.157 1.00 0.00 O ATOM 687 OE2 GLU A 42 5.581 -8.633 -13.264 1.00 0.00 O ATOM 0 H GLU A 42 7.956 -7.586 -9.904 1.00 0.00 H new ATOM 0 HA GLU A 42 8.734 -5.817 -12.033 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.279 -6.806 -10.737 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.171 -5.113 -11.178 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.380 -6.162 -13.095 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.059 -5.872 -13.507 1.00 0.00 H new ATOM 694 N VAL A 43 7.907 -4.486 -9.111 1.00 0.00 N ATOM 695 CA VAL A 43 8.058 -3.281 -8.303 1.00 0.00 C ATOM 696 C VAL A 43 9.528 -3.041 -7.953 1.00 0.00 C ATOM 697 O VAL A 43 9.968 -1.903 -7.837 1.00 0.00 O ATOM 698 CB VAL A 43 7.182 -3.325 -7.022 1.00 0.00 C ATOM 699 CG1 VAL A 43 7.428 -4.589 -6.222 1.00 0.00 C ATOM 700 CG2 VAL A 43 7.404 -2.090 -6.156 1.00 0.00 C ATOM 0 H VAL A 43 7.392 -5.240 -8.657 1.00 0.00 H new ATOM 0 HA VAL A 43 7.706 -2.443 -8.904 1.00 0.00 H new ATOM 0 HB VAL A 43 6.141 -3.330 -7.345 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.798 -4.585 -5.333 1.00 0.00 H new ATOM 0 HG12 VAL A 43 7.188 -5.459 -6.833 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.476 -4.633 -5.924 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.776 -2.151 -5.267 1.00 0.00 H new ATOM 0 HG22 VAL A 43 8.451 -2.038 -5.858 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.144 -1.196 -6.723 1.00 0.00 H new ATOM 710 N LEU A 44 10.293 -4.119 -7.826 1.00 0.00 N ATOM 711 CA LEU A 44 11.712 -4.007 -7.514 1.00 0.00 C ATOM 712 C LEU A 44 12.501 -3.631 -8.764 1.00 0.00 C ATOM 713 O LEU A 44 13.607 -3.096 -8.670 1.00 0.00 O ATOM 714 CB LEU A 44 12.226 -5.318 -6.923 1.00 0.00 C ATOM 715 CG LEU A 44 13.529 -5.214 -6.128 1.00 0.00 C ATOM 716 CD1 LEU A 44 13.446 -6.048 -4.861 1.00 0.00 C ATOM 717 CD2 LEU A 44 14.714 -5.653 -6.977 1.00 0.00 C ATOM 0 H LEU A 44 9.956 -5.076 -7.934 1.00 0.00 H new ATOM 0 HA LEU A 44 11.849 -3.219 -6.774 1.00 0.00 H new ATOM 0 HB2 LEU A 44 11.455 -5.730 -6.272 1.00 0.00 H new ATOM 0 HB3 LEU A 44 12.372 -6.030 -7.735 1.00 0.00 H new ATOM 0 HG LEU A 44 13.676 -4.171 -5.848 1.00 0.00 H new ATOM 0 HD11 LEU A 44 14.381 -5.963 -4.307 1.00 0.00 H new ATOM 0 HD12 LEU A 44 12.624 -5.689 -4.242 1.00 0.00 H new ATOM 0 HD13 LEU A 44 13.273 -7.092 -5.123 1.00 0.00 H new ATOM 0 HD21 LEU A 44 15.630 -5.571 -6.393 1.00 0.00 H new ATOM 0 HD22 LEU A 44 14.574 -6.688 -7.290 1.00 0.00 H new ATOM 0 HD23 LEU A 44 14.787 -5.015 -7.858 1.00 0.00 H new ATOM 729 N ASP A 45 11.917 -3.913 -9.934 1.00 0.00 N ATOM 730 CA ASP A 45 12.548 -3.590 -11.209 1.00 0.00 C ATOM 731 C ASP A 45 12.726 -2.086 -11.329 1.00 0.00 C ATOM 732 O ASP A 45 13.828 -1.606 -11.594 1.00 0.00 O ATOM 733 CB ASP A 45 11.711 -4.108 -12.381 1.00 0.00 C ATOM 734 CG ASP A 45 12.550 -4.399 -13.611 1.00 0.00 C ATOM 735 OD1 ASP A 45 13.106 -5.514 -13.699 1.00 0.00 O ATOM 736 OD2 ASP A 45 12.649 -3.514 -14.486 1.00 0.00 O ATOM 0 H ASP A 45 11.007 -4.365 -10.019 1.00 0.00 H new ATOM 0 HA ASP A 45 13.523 -4.076 -11.242 1.00 0.00 H new ATOM 0 HB2 ASP A 45 11.190 -5.016 -12.078 1.00 0.00 H new ATOM 0 HB3 ASP A 45 10.948 -3.371 -12.632 1.00 0.00 H new ATOM 741 N LEU A 46 11.643 -1.338 -11.125 1.00 0.00 N ATOM 742 CA LEU A 46 11.741 0.115 -11.198 1.00 0.00 C ATOM 743 C LEU A 46 12.162 0.688 -9.847 1.00 0.00 C ATOM 744 O LEU A 46 11.508 0.466 -8.827 1.00 0.00 O ATOM 745 CB LEU A 46 10.460 0.817 -11.712 1.00 0.00 C ATOM 746 CG LEU A 46 9.102 0.090 -11.627 1.00 0.00 C ATOM 747 CD1 LEU A 46 9.032 -1.086 -12.586 1.00 0.00 C ATOM 748 CD2 LEU A 46 8.770 -0.330 -10.204 1.00 0.00 C ATOM 0 H LEU A 46 10.714 -1.702 -10.914 1.00 0.00 H new ATOM 0 HA LEU A 46 12.507 0.323 -11.945 1.00 0.00 H new ATOM 0 HB2 LEU A 46 10.362 1.755 -11.166 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.627 1.073 -12.758 1.00 0.00 H new ATOM 0 HG LEU A 46 8.340 0.806 -11.936 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.060 -1.572 -12.496 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.167 -0.731 -13.608 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.819 -1.801 -12.344 1.00 0.00 H new ATOM 0 HD21 LEU A 46 7.806 -0.838 -10.190 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.542 -1.006 -9.835 1.00 0.00 H new ATOM 0 HD23 LEU A 46 8.724 0.552 -9.566 1.00 0.00 H new ATOM 760 N LYS A 47 13.272 1.417 -9.853 1.00 0.00 N ATOM 761 CA LYS A 47 13.806 2.018 -8.638 1.00 0.00 C ATOM 762 C LYS A 47 13.236 3.413 -8.411 1.00 0.00 C ATOM 763 O LYS A 47 13.710 4.153 -7.550 1.00 0.00 O ATOM 764 CB LYS A 47 15.330 2.092 -8.716 1.00 0.00 C ATOM 765 CG LYS A 47 16.010 0.751 -8.502 1.00 0.00 C ATOM 766 CD LYS A 47 17.522 0.875 -8.576 1.00 0.00 C ATOM 767 CE LYS A 47 18.200 -0.469 -8.375 1.00 0.00 C ATOM 768 NZ LYS A 47 19.684 -0.363 -8.449 1.00 0.00 N ATOM 0 H LYS A 47 13.822 1.606 -10.691 1.00 0.00 H new ATOM 0 HA LYS A 47 13.513 1.389 -7.798 1.00 0.00 H new ATOM 0 HB2 LYS A 47 15.618 2.486 -9.691 1.00 0.00 H new ATOM 0 HB3 LYS A 47 15.691 2.798 -7.968 1.00 0.00 H new ATOM 0 HG2 LYS A 47 15.724 0.348 -7.530 1.00 0.00 H new ATOM 0 HG3 LYS A 47 15.665 0.043 -9.255 1.00 0.00 H new ATOM 0 HD2 LYS A 47 17.808 1.287 -9.544 1.00 0.00 H new ATOM 0 HD3 LYS A 47 17.868 1.576 -7.817 1.00 0.00 H new ATOM 0 HE2 LYS A 47 17.914 -0.878 -7.406 1.00 0.00 H new ATOM 0 HE3 LYS A 47 17.848 -1.169 -9.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 20.107 -1.302 -8.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 19.960 0.003 -9.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 20.023 0.285 -7.709 1.00 0.00 H new ATOM 782 N THR A 48 12.219 3.767 -9.184 1.00 0.00 N ATOM 783 CA THR A 48 11.588 5.071 -9.061 1.00 0.00 C ATOM 784 C THR A 48 10.612 5.088 -7.889 1.00 0.00 C ATOM 785 O THR A 48 9.736 4.230 -7.793 1.00 0.00 O ATOM 786 CB THR A 48 10.855 5.458 -10.358 1.00 0.00 C ATOM 787 OG1 THR A 48 10.168 4.319 -10.885 1.00 0.00 O ATOM 788 CG2 THR A 48 11.839 5.979 -11.395 1.00 0.00 C ATOM 0 H THR A 48 11.814 3.168 -9.903 1.00 0.00 H new ATOM 0 HA THR A 48 12.375 5.803 -8.878 1.00 0.00 H new ATOM 0 HB THR A 48 10.137 6.245 -10.127 1.00 0.00 H new ATOM 0 HG1 THR A 48 9.702 4.571 -11.709 1.00 0.00 H new ATOM 0 HG21 THR A 48 11.301 6.247 -12.304 1.00 0.00 H new ATOM 0 HG22 THR A 48 12.349 6.859 -11.003 1.00 0.00 H new ATOM 0 HG23 THR A 48 12.572 5.205 -11.622 1.00 0.00 H new ATOM 796 N PRO A 49 10.764 6.067 -6.980 1.00 0.00 N ATOM 797 CA PRO A 49 9.906 6.209 -5.790 1.00 0.00 C ATOM 798 C PRO A 49 8.418 6.307 -6.130 1.00 0.00 C ATOM 799 O PRO A 49 7.569 5.831 -5.374 1.00 0.00 O ATOM 800 CB PRO A 49 10.394 7.518 -5.158 1.00 0.00 C ATOM 801 CG PRO A 49 11.783 7.698 -5.665 1.00 0.00 C ATOM 802 CD PRO A 49 11.798 7.116 -7.044 1.00 0.00 C ATOM 0 HA PRO A 49 9.983 5.340 -5.137 1.00 0.00 H new ATOM 0 HB2 PRO A 49 9.758 8.355 -5.444 1.00 0.00 H new ATOM 0 HB3 PRO A 49 10.376 7.461 -4.070 1.00 0.00 H new ATOM 0 HG2 PRO A 49 12.058 8.753 -5.684 1.00 0.00 H new ATOM 0 HG3 PRO A 49 12.502 7.193 -5.020 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.564 7.866 -7.800 1.00 0.00 H new ATOM 0 HD3 PRO A 49 12.775 6.703 -7.296 1.00 0.00 H new ATOM 810 N GLU A 50 8.112 6.922 -7.270 1.00 0.00 N ATOM 811 CA GLU A 50 6.732 7.083 -7.718 1.00 0.00 C ATOM 812 C GLU A 50 6.087 5.730 -8.015 1.00 0.00 C ATOM 813 O GLU A 50 4.935 5.492 -7.659 1.00 0.00 O ATOM 814 CB GLU A 50 6.686 7.960 -8.970 1.00 0.00 C ATOM 815 CG GLU A 50 6.908 9.438 -8.693 1.00 0.00 C ATOM 816 CD GLU A 50 6.848 10.277 -9.953 1.00 0.00 C ATOM 817 OE1 GLU A 50 5.742 10.732 -10.311 1.00 0.00 O ATOM 818 OE2 GLU A 50 7.908 10.475 -10.583 1.00 0.00 O ATOM 0 H GLU A 50 8.806 7.319 -7.903 1.00 0.00 H new ATOM 0 HA GLU A 50 6.172 7.563 -6.916 1.00 0.00 H new ATOM 0 HB2 GLU A 50 7.444 7.614 -9.673 1.00 0.00 H new ATOM 0 HB3 GLU A 50 5.719 7.832 -9.456 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.154 9.790 -7.989 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.878 9.574 -8.215 1.00 0.00 H new ATOM 825 N GLU A 51 6.852 4.848 -8.657 1.00 0.00 N ATOM 826 CA GLU A 51 6.368 3.517 -9.017 1.00 0.00 C ATOM 827 C GLU A 51 6.249 2.619 -7.791 1.00 0.00 C ATOM 828 O GLU A 51 5.365 1.770 -7.730 1.00 0.00 O ATOM 829 CB GLU A 51 7.308 2.866 -10.031 1.00 0.00 C ATOM 830 CG GLU A 51 7.133 3.378 -11.450 1.00 0.00 C ATOM 831 CD GLU A 51 5.937 2.766 -12.153 1.00 0.00 C ATOM 832 OE1 GLU A 51 6.099 1.700 -12.784 1.00 0.00 O ATOM 833 OE2 GLU A 51 4.837 3.353 -12.075 1.00 0.00 O ATOM 0 H GLU A 51 7.814 5.033 -8.939 1.00 0.00 H new ATOM 0 HA GLU A 51 5.378 3.636 -9.458 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.338 3.037 -9.718 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.146 1.788 -10.022 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.021 4.462 -11.429 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.035 3.162 -12.023 1.00 0.00 H new ATOM 840 N GLN A 52 7.148 2.807 -6.826 1.00 0.00 N ATOM 841 CA GLN A 52 7.149 2.011 -5.598 1.00 0.00 C ATOM 842 C GLN A 52 5.828 2.160 -4.843 1.00 0.00 C ATOM 843 O GLN A 52 5.208 1.167 -4.457 1.00 0.00 O ATOM 844 CB GLN A 52 8.317 2.428 -4.698 1.00 0.00 C ATOM 845 CG GLN A 52 9.687 2.076 -5.268 1.00 0.00 C ATOM 846 CD GLN A 52 10.197 0.726 -4.801 1.00 0.00 C ATOM 847 OE1 GLN A 52 10.595 0.565 -3.648 1.00 0.00 O ATOM 848 NE2 GLN A 52 10.195 -0.255 -5.697 1.00 0.00 N ATOM 0 H GLN A 52 7.889 3.507 -6.871 1.00 0.00 H new ATOM 0 HA GLN A 52 7.267 0.964 -5.876 1.00 0.00 H new ATOM 0 HB2 GLN A 52 8.269 3.504 -4.530 1.00 0.00 H new ATOM 0 HB3 GLN A 52 8.204 1.949 -3.726 1.00 0.00 H new ATOM 0 HG2 GLN A 52 9.633 2.080 -6.357 1.00 0.00 H new ATOM 0 HG3 GLN A 52 10.402 2.847 -4.981 1.00 0.00 H new ATOM 0 HE21 GLN A 52 9.857 -0.081 -6.643 1.00 0.00 H new ATOM 0 HE22 GLN A 52 10.532 -1.182 -5.439 1.00 0.00 H new ATOM 857 N ALA A 53 5.403 3.406 -4.645 1.00 0.00 N ATOM 858 CA ALA A 53 4.157 3.694 -3.943 1.00 0.00 C ATOM 859 C ALA A 53 2.947 3.276 -4.775 1.00 0.00 C ATOM 860 O ALA A 53 1.985 2.725 -4.243 1.00 0.00 O ATOM 861 CB ALA A 53 4.076 5.174 -3.595 1.00 0.00 C ATOM 0 H ALA A 53 5.906 4.234 -4.963 1.00 0.00 H new ATOM 0 HA ALA A 53 4.147 3.114 -3.020 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.141 5.374 -3.072 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.915 5.444 -2.954 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.113 5.765 -4.510 1.00 0.00 H new ATOM 867 N LYS A 54 3.012 3.529 -6.084 1.00 0.00 N ATOM 868 CA LYS A 54 1.919 3.190 -6.998 1.00 0.00 C ATOM 869 C LYS A 54 1.707 1.680 -7.088 1.00 0.00 C ATOM 870 O LYS A 54 0.577 1.217 -7.224 1.00 0.00 O ATOM 871 CB LYS A 54 2.197 3.761 -8.391 1.00 0.00 C ATOM 872 CG LYS A 54 1.868 5.239 -8.515 1.00 0.00 C ATOM 873 CD LYS A 54 2.258 5.791 -9.878 1.00 0.00 C ATOM 874 CE LYS A 54 2.025 7.292 -9.955 1.00 0.00 C ATOM 875 NZ LYS A 54 0.576 7.623 -10.047 1.00 0.00 N ATOM 0 H LYS A 54 3.813 3.969 -6.536 1.00 0.00 H new ATOM 0 HA LYS A 54 1.007 3.634 -6.599 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.249 3.609 -8.634 1.00 0.00 H new ATOM 0 HB3 LYS A 54 1.616 3.204 -9.126 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.800 5.389 -8.354 1.00 0.00 H new ATOM 0 HG3 LYS A 54 2.389 5.794 -7.735 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.308 5.574 -10.074 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.679 5.291 -10.654 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.452 7.772 -9.074 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.546 7.697 -10.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 0.458 8.655 -10.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.174 7.186 -10.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.083 7.259 -9.207 1.00 0.00 H new ATOM 889 N LYS A 55 2.798 0.920 -7.008 1.00 0.00 N ATOM 890 CA LYS A 55 2.733 -0.537 -7.079 1.00 0.00 C ATOM 891 C LYS A 55 2.048 -1.115 -5.848 1.00 0.00 C ATOM 892 O LYS A 55 1.239 -2.027 -5.959 1.00 0.00 O ATOM 893 CB LYS A 55 4.136 -1.132 -7.221 1.00 0.00 C ATOM 894 CG LYS A 55 4.664 -1.116 -8.649 1.00 0.00 C ATOM 895 CD LYS A 55 4.155 -2.304 -9.447 1.00 0.00 C ATOM 896 CE LYS A 55 4.115 -2.000 -10.936 1.00 0.00 C ATOM 897 NZ LYS A 55 4.047 -3.243 -11.752 1.00 0.00 N ATOM 0 H LYS A 55 3.741 1.292 -6.894 1.00 0.00 H new ATOM 0 HA LYS A 55 2.145 -0.801 -7.958 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.823 -0.577 -6.582 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.124 -2.160 -6.859 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.361 -0.191 -9.139 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.754 -1.127 -8.635 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.798 -3.166 -9.268 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.157 -2.574 -9.103 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.251 -1.373 -11.156 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.001 -1.430 -11.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.741 -3.189 -12.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.261 -4.065 -11.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.092 -3.345 -12.151 1.00 0.00 H new ATOM 911 N LEU A 56 2.364 -0.566 -4.681 1.00 0.00 N ATOM 912 CA LEU A 56 1.779 -1.044 -3.433 1.00 0.00 C ATOM 913 C LEU A 56 0.297 -0.727 -3.341 1.00 0.00 C ATOM 914 O LEU A 56 -0.502 -1.606 -3.035 1.00 0.00 O ATOM 915 CB LEU A 56 2.495 -0.437 -2.241 1.00 0.00 C ATOM 916 CG LEU A 56 2.416 -1.267 -0.959 1.00 0.00 C ATOM 917 CD1 LEU A 56 3.568 -2.256 -0.895 1.00 0.00 C ATOM 918 CD2 LEU A 56 2.412 -0.364 0.267 1.00 0.00 C ATOM 0 H LEU A 56 3.020 0.208 -4.572 1.00 0.00 H new ATOM 0 HA LEU A 56 1.898 -2.127 -3.422 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.544 -0.291 -2.500 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.075 0.550 -2.046 1.00 0.00 H new ATOM 0 HG LEU A 56 1.482 -1.828 -0.969 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.497 -2.839 0.023 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.521 -2.925 -1.754 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.514 -1.714 -0.909 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.355 -0.974 1.168 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.327 0.227 0.286 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.550 0.302 0.225 1.00 0.00 H new ATOM 930 N ILE A 57 -0.067 0.530 -3.598 1.00 0.00 N ATOM 931 CA ILE A 57 -1.466 0.943 -3.534 1.00 0.00 C ATOM 932 C ILE A 57 -2.303 0.178 -4.559 1.00 0.00 C ATOM 933 O ILE A 57 -3.487 -0.090 -4.342 1.00 0.00 O ATOM 934 CB ILE A 57 -1.619 2.467 -3.750 1.00 0.00 C ATOM 935 CG1 ILE A 57 -0.808 3.230 -2.702 1.00 0.00 C ATOM 936 CG2 ILE A 57 -3.083 2.877 -3.679 1.00 0.00 C ATOM 937 CD1 ILE A 57 -0.462 4.643 -3.119 1.00 0.00 C ATOM 0 H ILE A 57 0.584 1.274 -3.851 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.831 0.707 -2.534 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.240 2.714 -4.742 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.372 3.262 -1.770 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.113 2.684 -2.498 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.168 3.953 -3.834 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.645 2.354 -4.453 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.486 2.618 -2.700 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.113 5.125 -2.329 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.129 4.618 -4.034 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -1.379 5.205 -3.295 1.00 0.00 H new ATOM 949 N ASP A 58 -1.667 -0.194 -5.661 1.00 0.00 N ATOM 950 CA ASP A 58 -2.331 -0.942 -6.717 1.00 0.00 C ATOM 951 C ASP A 58 -2.472 -2.411 -6.336 1.00 0.00 C ATOM 952 O ASP A 58 -3.383 -3.089 -6.794 1.00 0.00 O ATOM 953 CB ASP A 58 -1.542 -0.824 -8.022 1.00 0.00 C ATOM 954 CG ASP A 58 -2.436 -0.756 -9.243 1.00 0.00 C ATOM 955 OD1 ASP A 58 -3.181 0.237 -9.380 1.00 0.00 O ATOM 956 OD2 ASP A 58 -2.390 -1.695 -10.066 1.00 0.00 O ATOM 0 H ASP A 58 -0.685 0.012 -5.847 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.327 -0.521 -6.856 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.917 0.068 -7.984 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.872 -1.679 -8.115 1.00 0.00 H new ATOM 961 N PHE A 59 -1.573 -2.896 -5.482 1.00 0.00 N ATOM 962 CA PHE A 59 -1.610 -4.297 -5.073 1.00 0.00 C ATOM 963 C PHE A 59 -2.428 -4.519 -3.798 1.00 0.00 C ATOM 964 O PHE A 59 -2.713 -5.658 -3.438 1.00 0.00 O ATOM 965 CB PHE A 59 -0.189 -4.834 -4.893 1.00 0.00 C ATOM 966 CG PHE A 59 0.397 -5.373 -6.167 1.00 0.00 C ATOM 967 CD1 PHE A 59 -0.271 -6.346 -6.892 1.00 0.00 C ATOM 968 CD2 PHE A 59 1.608 -4.898 -6.647 1.00 0.00 C ATOM 969 CE1 PHE A 59 0.256 -6.835 -8.071 1.00 0.00 C ATOM 970 CE2 PHE A 59 2.141 -5.385 -7.825 1.00 0.00 C ATOM 971 CZ PHE A 59 1.462 -6.353 -8.538 1.00 0.00 C ATOM 0 H PHE A 59 -0.820 -2.348 -5.065 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.109 -4.848 -5.870 1.00 0.00 H new ATOM 0 HB2 PHE A 59 0.450 -4.037 -4.514 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -0.196 -5.622 -4.140 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.215 -6.727 -6.531 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.141 -4.139 -6.094 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.275 -7.594 -8.627 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.087 -5.009 -8.187 1.00 0.00 H new ATOM 0 HZ PHE A 59 1.875 -6.733 -9.461 1.00 0.00 H new ATOM 981 N ILE A 60 -2.813 -3.443 -3.119 1.00 0.00 N ATOM 982 CA ILE A 60 -3.601 -3.569 -1.890 1.00 0.00 C ATOM 983 C ILE A 60 -5.091 -3.342 -2.144 1.00 0.00 C ATOM 984 O ILE A 60 -5.937 -3.961 -1.501 1.00 0.00 O ATOM 985 CB ILE A 60 -3.121 -2.595 -0.786 1.00 0.00 C ATOM 986 CG1 ILE A 60 -3.100 -1.153 -1.293 1.00 0.00 C ATOM 987 CG2 ILE A 60 -1.742 -2.992 -0.290 1.00 0.00 C ATOM 988 CD1 ILE A 60 -4.234 -0.302 -0.764 1.00 0.00 C ATOM 0 H ILE A 60 -2.597 -2.484 -3.391 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.450 -4.592 -1.544 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.827 -2.656 0.042 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.152 -0.693 -1.013 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.141 -1.160 -2.382 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.420 -2.297 0.485 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.779 -4.001 0.120 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.035 -2.963 -1.119 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -4.151 0.707 -1.168 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -5.187 -0.737 -1.066 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -4.182 -0.262 0.324 1.00 0.00 H new ATOM 1000 N LEU A 61 -5.403 -2.460 -3.091 1.00 0.00 N ATOM 1001 CA LEU A 61 -6.788 -2.138 -3.414 1.00 0.00 C ATOM 1002 C LEU A 61 -7.400 -3.157 -4.372 1.00 0.00 C ATOM 1003 O LEU A 61 -8.608 -3.140 -4.616 1.00 0.00 O ATOM 1004 CB LEU A 61 -6.877 -0.738 -4.025 1.00 0.00 C ATOM 1005 CG LEU A 61 -8.172 0.014 -3.723 1.00 0.00 C ATOM 1006 CD1 LEU A 61 -8.080 0.712 -2.375 1.00 0.00 C ATOM 1007 CD2 LEU A 61 -8.477 1.017 -4.825 1.00 0.00 C ATOM 0 H LEU A 61 -4.713 -1.956 -3.648 1.00 0.00 H new ATOM 0 HA LEU A 61 -7.355 -2.169 -2.484 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -6.037 -0.145 -3.663 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.766 -0.821 -5.106 1.00 0.00 H new ATOM 0 HG LEU A 61 -8.988 -0.708 -3.682 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.011 1.243 -2.176 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -7.910 -0.028 -1.593 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -7.253 1.422 -2.389 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -9.403 1.543 -4.592 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.661 1.735 -4.899 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -8.586 0.493 -5.774 1.00 0.00 H new ATOM 1019 N LYS A 62 -6.570 -4.045 -4.908 1.00 0.00 N ATOM 1020 CA LYS A 62 -7.042 -5.053 -5.851 1.00 0.00 C ATOM 1021 C LYS A 62 -7.294 -6.395 -5.176 1.00 0.00 C ATOM 1022 O LYS A 62 -7.954 -7.263 -5.743 1.00 0.00 O ATOM 1023 CB LYS A 62 -6.035 -5.229 -6.980 1.00 0.00 C ATOM 1024 CG LYS A 62 -6.141 -4.159 -8.047 1.00 0.00 C ATOM 1025 CD LYS A 62 -5.185 -4.426 -9.194 1.00 0.00 C ATOM 1026 CE LYS A 62 -5.271 -3.338 -10.247 1.00 0.00 C ATOM 1027 NZ LYS A 62 -6.505 -3.465 -11.066 1.00 0.00 N ATOM 0 H LYS A 62 -5.571 -4.088 -4.707 1.00 0.00 H new ATOM 0 HA LYS A 62 -7.991 -4.699 -6.254 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -5.027 -5.220 -6.564 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -6.181 -6.207 -7.439 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -7.163 -4.119 -8.424 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -5.924 -3.184 -7.610 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.165 -4.487 -8.814 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -5.415 -5.391 -9.645 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -5.253 -2.361 -9.764 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -4.396 -3.389 -10.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -6.522 -2.715 -11.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -6.518 -4.394 -11.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -7.340 -3.375 -10.452 1.00 0.00 H new ATOM 1041 N LEU A 63 -6.768 -6.567 -3.969 1.00 0.00 N ATOM 1042 CA LEU A 63 -6.942 -7.817 -3.245 1.00 0.00 C ATOM 1043 C LEU A 63 -8.187 -7.780 -2.363 1.00 0.00 C ATOM 1044 O LEU A 63 -8.869 -6.757 -2.267 1.00 0.00 O ATOM 1045 CB LEU A 63 -5.705 -8.117 -2.401 1.00 0.00 C ATOM 1046 CG LEU A 63 -4.524 -8.710 -3.173 1.00 0.00 C ATOM 1047 CD1 LEU A 63 -3.241 -8.576 -2.370 1.00 0.00 C ATOM 1048 CD2 LEU A 63 -4.788 -10.168 -3.519 1.00 0.00 C ATOM 0 H LEU A 63 -6.222 -5.861 -3.475 1.00 0.00 H new ATOM 0 HA LEU A 63 -7.074 -8.613 -3.978 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.379 -7.195 -1.920 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.985 -8.809 -1.607 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.408 -8.153 -4.103 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.412 -9.003 -2.935 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.042 -7.522 -2.175 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.347 -9.107 -1.424 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.937 -10.572 -4.068 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.933 -10.739 -2.602 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.684 -10.239 -4.136 1.00 0.00 H new ATOM 1060 N SER A 64 -8.475 -8.910 -1.727 1.00 0.00 N ATOM 1061 CA SER A 64 -9.635 -9.035 -0.853 1.00 0.00 C ATOM 1062 C SER A 64 -9.418 -8.296 0.472 1.00 0.00 C ATOM 1063 O SER A 64 -8.286 -7.976 0.831 1.00 0.00 O ATOM 1064 CB SER A 64 -9.918 -10.518 -0.599 1.00 0.00 C ATOM 1065 OG SER A 64 -10.506 -11.123 -1.739 1.00 0.00 O ATOM 0 H SER A 64 -7.915 -9.759 -1.802 1.00 0.00 H new ATOM 0 HA SER A 64 -10.494 -8.578 -1.345 1.00 0.00 H new ATOM 0 HB2 SER A 64 -8.990 -11.032 -0.348 1.00 0.00 H new ATOM 0 HB3 SER A 64 -10.583 -10.624 0.258 1.00 0.00 H new ATOM 0 HG SER A 64 -10.677 -12.070 -1.555 1.00 0.00 H new ATOM 1071 N PRO A 65 -10.510 -7.994 1.204 1.00 0.00 N ATOM 1072 CA PRO A 65 -10.444 -7.294 2.498 1.00 0.00 C ATOM 1073 C PRO A 65 -9.554 -7.997 3.532 1.00 0.00 C ATOM 1074 O PRO A 65 -8.994 -7.347 4.411 1.00 0.00 O ATOM 1075 CB PRO A 65 -11.903 -7.264 2.978 1.00 0.00 C ATOM 1076 CG PRO A 65 -12.630 -8.243 2.119 1.00 0.00 C ATOM 1077 CD PRO A 65 -11.901 -8.273 0.811 1.00 0.00 C ATOM 0 HA PRO A 65 -9.996 -6.307 2.382 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -11.975 -7.538 4.031 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -12.327 -6.265 2.879 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -12.643 -9.231 2.580 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -13.668 -7.942 1.979 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -11.995 -9.241 0.318 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -12.283 -7.523 0.118 1.00 0.00 H new ATOM 1085 N ALA A 66 -9.422 -9.319 3.422 1.00 0.00 N ATOM 1086 CA ALA A 66 -8.599 -10.094 4.350 1.00 0.00 C ATOM 1087 C ALA A 66 -7.104 -9.868 4.102 1.00 0.00 C ATOM 1088 O ALA A 66 -6.277 -10.106 4.983 1.00 0.00 O ATOM 1089 CB ALA A 66 -8.939 -11.572 4.229 1.00 0.00 C ATOM 0 H ALA A 66 -9.875 -9.876 2.698 1.00 0.00 H new ATOM 0 HA ALA A 66 -8.818 -9.754 5.362 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -8.323 -12.145 4.922 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -9.992 -11.724 4.468 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.746 -11.907 3.210 1.00 0.00 H new ATOM 1095 N ASP A 67 -6.772 -9.403 2.899 1.00 0.00 N ATOM 1096 CA ASP A 67 -5.383 -9.147 2.517 1.00 0.00 C ATOM 1097 C ASP A 67 -4.839 -7.867 3.158 1.00 0.00 C ATOM 1098 O ASP A 67 -3.691 -7.829 3.606 1.00 0.00 O ATOM 1099 CB ASP A 67 -5.276 -9.053 0.992 1.00 0.00 C ATOM 1100 CG ASP A 67 -5.389 -10.411 0.324 1.00 0.00 C ATOM 1101 OD1 ASP A 67 -4.349 -11.083 0.164 1.00 0.00 O ATOM 1102 OD2 ASP A 67 -6.519 -10.801 -0.041 1.00 0.00 O ATOM 0 H ASP A 67 -7.451 -9.194 2.167 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.779 -9.979 2.881 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -6.061 -8.398 0.614 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -4.323 -8.596 0.724 1.00 0.00 H new ATOM 1107 N VAL A 68 -5.667 -6.823 3.206 1.00 0.00 N ATOM 1108 CA VAL A 68 -5.259 -5.543 3.787 1.00 0.00 C ATOM 1109 C VAL A 68 -5.197 -5.604 5.312 1.00 0.00 C ATOM 1110 O VAL A 68 -4.398 -4.898 5.926 1.00 0.00 O ATOM 1111 CB VAL A 68 -6.185 -4.374 3.367 1.00 0.00 C ATOM 1112 CG1 VAL A 68 -5.883 -3.926 1.946 1.00 0.00 C ATOM 1113 CG2 VAL A 68 -7.652 -4.745 3.509 1.00 0.00 C ATOM 0 H VAL A 68 -6.623 -6.838 2.850 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.261 -5.352 3.393 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.985 -3.541 4.041 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.546 -3.105 1.675 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.847 -3.592 1.882 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.039 -4.759 1.261 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.272 -3.901 3.206 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -7.873 -5.604 2.875 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.865 -4.996 4.548 1.00 0.00 H new ATOM 1123 N GLN A 69 -6.055 -6.436 5.914 1.00 0.00 N ATOM 1124 CA GLN A 69 -6.120 -6.589 7.374 1.00 0.00 C ATOM 1125 C GLN A 69 -4.740 -6.839 7.991 1.00 0.00 C ATOM 1126 O GLN A 69 -4.418 -6.286 9.042 1.00 0.00 O ATOM 1127 CB GLN A 69 -7.072 -7.734 7.738 1.00 0.00 C ATOM 1128 CG GLN A 69 -8.329 -7.276 8.461 1.00 0.00 C ATOM 1129 CD GLN A 69 -9.394 -6.752 7.515 1.00 0.00 C ATOM 1130 OE1 GLN A 69 -10.307 -7.478 7.126 1.00 0.00 O ATOM 1131 NE2 GLN A 69 -9.283 -5.482 7.139 1.00 0.00 N ATOM 0 H GLN A 69 -6.721 -7.020 5.407 1.00 0.00 H new ATOM 0 HA GLN A 69 -6.496 -5.652 7.785 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -7.358 -8.260 6.827 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -6.542 -8.450 8.367 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -8.737 -8.109 9.034 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -8.068 -6.495 9.175 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -8.510 -4.913 7.485 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -9.971 -5.076 6.505 1.00 0.00 H new ATOM 1140 N ALA A 70 -3.930 -7.661 7.323 1.00 0.00 N ATOM 1141 CA ALA A 70 -2.587 -7.988 7.797 1.00 0.00 C ATOM 1142 C ALA A 70 -1.665 -6.767 7.774 1.00 0.00 C ATOM 1143 O ALA A 70 -0.861 -6.571 8.687 1.00 0.00 O ATOM 1144 CB ALA A 70 -2.000 -9.109 6.948 1.00 0.00 C ATOM 0 H ALA A 70 -4.184 -8.115 6.446 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.666 -8.318 8.833 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.999 -9.350 7.305 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.634 -9.992 7.023 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.947 -8.788 5.908 1.00 0.00 H new ATOM 1150 N ARG A 71 -1.799 -5.945 6.732 1.00 0.00 N ATOM 1151 CA ARG A 71 -0.976 -4.743 6.571 1.00 0.00 C ATOM 1152 C ARG A 71 -1.386 -3.634 7.536 1.00 0.00 C ATOM 1153 O ARG A 71 -0.547 -2.851 7.976 1.00 0.00 O ATOM 1154 CB ARG A 71 -1.077 -4.225 5.140 1.00 0.00 C ATOM 1155 CG ARG A 71 -0.307 -5.057 4.128 1.00 0.00 C ATOM 1156 CD ARG A 71 -0.634 -4.636 2.706 1.00 0.00 C ATOM 1157 NE ARG A 71 0.199 -5.320 1.719 1.00 0.00 N ATOM 1158 CZ ARG A 71 -0.279 -6.106 0.753 1.00 0.00 C ATOM 1159 NH1 ARG A 71 -1.585 -6.311 0.632 1.00 0.00 N ATOM 1160 NH2 ARG A 71 0.555 -6.686 -0.097 1.00 0.00 N ATOM 0 H ARG A 71 -2.474 -6.091 5.982 1.00 0.00 H new ATOM 0 HA ARG A 71 0.052 -5.025 6.796 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -2.127 -4.196 4.848 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -0.708 -3.200 5.108 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.763 -4.950 4.305 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -0.548 -6.112 4.262 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.684 -4.845 2.500 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.499 -3.559 2.608 1.00 0.00 H new ATOM 0 HE ARG A 71 1.209 -5.188 1.772 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -2.233 -5.866 1.281 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -1.940 -6.914 -0.110 1.00 0.00 H new ATOM 0 HH21 ARG A 71 1.560 -6.531 -0.012 1.00 0.00 H new ATOM 0 HH22 ARG A 71 0.193 -7.288 -0.837 1.00 0.00 H new ATOM 1174 N ILE A 72 -2.677 -3.555 7.849 1.00 0.00 N ATOM 1175 CA ILE A 72 -3.176 -2.535 8.767 1.00 0.00 C ATOM 1176 C ILE A 72 -2.708 -2.833 10.193 1.00 0.00 C ATOM 1177 O ILE A 72 -2.458 -1.920 10.983 1.00 0.00 O ATOM 1178 CB ILE A 72 -4.724 -2.437 8.728 1.00 0.00 C ATOM 1179 CG1 ILE A 72 -5.201 -2.056 7.325 1.00 0.00 C ATOM 1180 CG2 ILE A 72 -5.241 -1.422 9.742 1.00 0.00 C ATOM 1181 CD1 ILE A 72 -6.539 -2.660 6.955 1.00 0.00 C ATOM 0 H ILE A 72 -3.393 -4.182 7.482 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.771 -1.575 8.445 1.00 0.00 H new ATOM 0 HB ILE A 72 -5.123 -3.417 8.989 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.270 -0.970 7.256 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.454 -2.374 6.598 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -6.329 -1.377 9.690 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -4.938 -1.723 10.745 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.826 -0.439 9.517 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.813 -2.347 5.948 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -6.470 -3.747 6.991 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.298 -2.321 7.660 1.00 0.00 H new ATOM 1193 N ASN A 73 -2.565 -4.124 10.501 1.00 0.00 N ATOM 1194 CA ASN A 73 -2.126 -4.566 11.823 1.00 0.00 C ATOM 1195 C ASN A 73 -0.656 -4.230 12.070 1.00 0.00 C ATOM 1196 O ASN A 73 -0.299 -3.757 13.149 1.00 0.00 O ATOM 1197 CB ASN A 73 -2.340 -6.074 11.976 1.00 0.00 C ATOM 1198 CG ASN A 73 -3.795 -6.437 12.220 1.00 0.00 C ATOM 1199 OD1 ASN A 73 -4.564 -5.641 12.758 1.00 0.00 O ATOM 1200 ND2 ASN A 73 -4.179 -7.643 11.823 1.00 0.00 N ATOM 0 H ASN A 73 -2.749 -4.885 9.847 1.00 0.00 H new ATOM 0 HA ASN A 73 -2.726 -4.034 12.562 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -1.989 -6.580 11.076 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -1.734 -6.441 12.805 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -5.145 -7.941 11.960 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -3.509 -8.272 11.381 1.00 0.00 H new ATOM 1207 N VAL A 74 0.196 -4.475 11.073 1.00 0.00 N ATOM 1208 CA VAL A 74 1.622 -4.190 11.209 1.00 0.00 C ATOM 1209 C VAL A 74 1.892 -2.690 11.138 1.00 0.00 C ATOM 1210 O VAL A 74 2.778 -2.188 11.823 1.00 0.00 O ATOM 1211 CB VAL A 74 2.489 -4.920 10.152 1.00 0.00 C ATOM 1212 CG1 VAL A 74 2.691 -6.379 10.536 1.00 0.00 C ATOM 1213 CG2 VAL A 74 1.877 -4.812 8.766 1.00 0.00 C ATOM 0 H VAL A 74 -0.075 -4.867 10.171 1.00 0.00 H new ATOM 0 HA VAL A 74 1.909 -4.568 12.190 1.00 0.00 H new ATOM 0 HB VAL A 74 3.463 -4.431 10.126 1.00 0.00 H new ATOM 0 HG11 VAL A 74 3.302 -6.873 9.781 1.00 0.00 H new ATOM 0 HG12 VAL A 74 3.193 -6.435 11.502 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.723 -6.876 10.601 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.509 -5.334 8.048 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.884 -5.262 8.771 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.798 -3.762 8.484 1.00 0.00 H new ATOM 1223 N LEU A 75 1.125 -1.984 10.309 1.00 0.00 N ATOM 1224 CA LEU A 75 1.279 -0.539 10.143 1.00 0.00 C ATOM 1225 C LEU A 75 1.116 0.203 11.466 1.00 0.00 C ATOM 1226 O LEU A 75 1.869 1.129 11.760 1.00 0.00 O ATOM 1227 CB LEU A 75 0.260 -0.017 9.128 1.00 0.00 C ATOM 1228 CG LEU A 75 0.759 1.116 8.232 1.00 0.00 C ATOM 1229 CD1 LEU A 75 1.832 0.609 7.286 1.00 0.00 C ATOM 1230 CD2 LEU A 75 -0.392 1.729 7.452 1.00 0.00 C ATOM 0 H LEU A 75 0.385 -2.393 9.738 1.00 0.00 H new ATOM 0 HA LEU A 75 2.289 -0.354 9.778 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -0.057 -0.846 8.496 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.622 0.329 9.667 1.00 0.00 H new ATOM 0 HG LEU A 75 1.193 1.890 8.866 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.177 1.428 6.655 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.670 0.218 7.863 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.421 -0.183 6.660 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.016 2.534 6.820 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.857 0.965 6.828 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.131 2.129 8.147 1.00 0.00 H new ATOM 1242 N ARG A 76 0.146 -0.223 12.268 1.00 0.00 N ATOM 1243 CA ARG A 76 -0.125 0.409 13.556 1.00 0.00 C ATOM 1244 C ARG A 76 0.995 0.150 14.569 1.00 0.00 C ATOM 1245 O ARG A 76 1.335 1.025 15.363 1.00 0.00 O ATOM 1246 CB ARG A 76 -1.456 -0.100 14.114 1.00 0.00 C ATOM 1247 CG ARG A 76 -2.671 0.373 13.328 1.00 0.00 C ATOM 1248 CD ARG A 76 -3.196 1.703 13.848 1.00 0.00 C ATOM 1249 NE ARG A 76 -3.877 1.557 15.130 1.00 0.00 N ATOM 1250 CZ ARG A 76 -4.679 2.479 15.656 1.00 0.00 C ATOM 1251 NH1 ARG A 76 -4.905 3.621 15.013 1.00 0.00 N ATOM 1252 NH2 ARG A 76 -5.258 2.257 16.827 1.00 0.00 N ATOM 0 H ARG A 76 -0.469 -1.007 12.048 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.179 1.485 13.391 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.443 -1.190 14.124 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.554 0.227 15.149 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.407 0.473 12.275 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -3.459 -0.378 13.389 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.367 2.403 13.955 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.883 2.132 13.119 1.00 0.00 H new ATOM 0 HE ARG A 76 -3.729 0.695 15.655 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.462 3.794 14.111 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.521 4.323 15.422 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -5.088 1.382 17.322 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -5.873 2.962 17.233 1.00 0.00 H new ATOM 1266 N ALA A 77 1.572 -1.047 14.531 1.00 0.00 N ATOM 1267 CA ALA A 77 2.630 -1.418 15.469 1.00 0.00 C ATOM 1268 C ALA A 77 4.028 -1.009 14.996 1.00 0.00 C ATOM 1269 O ALA A 77 4.968 -0.983 15.791 1.00 0.00 O ATOM 1270 CB ALA A 77 2.580 -2.913 15.739 1.00 0.00 C ATOM 0 H ALA A 77 1.326 -1.777 13.862 1.00 0.00 H new ATOM 0 HA ALA A 77 2.444 -0.866 16.390 1.00 0.00 H new ATOM 0 HB1 ALA A 77 3.371 -3.183 16.439 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.612 -3.173 16.167 1.00 0.00 H new ATOM 0 HB3 ALA A 77 2.721 -3.456 14.805 1.00 0.00 H new ATOM 1276 N HIS A 78 4.170 -0.684 13.711 1.00 0.00 N ATOM 1277 CA HIS A 78 5.473 -0.297 13.161 1.00 0.00 C ATOM 1278 C HIS A 78 5.718 1.208 13.269 1.00 0.00 C ATOM 1279 O HIS A 78 6.786 1.696 12.896 1.00 0.00 O ATOM 1280 CB HIS A 78 5.599 -0.746 11.700 1.00 0.00 C ATOM 1281 CG HIS A 78 6.058 -2.168 11.553 1.00 0.00 C ATOM 1282 ND1 HIS A 78 5.411 -3.235 12.143 1.00 0.00 N ATOM 1283 CD2 HIS A 78 7.111 -2.697 10.883 1.00 0.00 C ATOM 1284 CE1 HIS A 78 6.045 -4.354 11.847 1.00 0.00 C ATOM 1285 NE2 HIS A 78 7.077 -4.056 11.083 1.00 0.00 N ATOM 0 H HIS A 78 3.407 -0.680 13.035 1.00 0.00 H new ATOM 0 HA HIS A 78 6.234 -0.801 13.758 1.00 0.00 H new ATOM 0 HB2 HIS A 78 4.634 -0.630 11.207 1.00 0.00 H new ATOM 0 HB3 HIS A 78 6.301 -0.090 11.185 1.00 0.00 H new ATOM 0 HD1 HIS A 78 4.572 -3.169 12.719 1.00 0.00 H new ATOM 0 HD2 HIS A 78 7.840 -2.152 10.301 1.00 0.00 H new ATOM 0 HE1 HIS A 78 5.766 -5.345 12.175 1.00 0.00 H new ATOM 1294 N GLY A 79 4.731 1.942 13.779 1.00 0.00 N ATOM 1295 CA GLY A 79 4.881 3.381 13.935 1.00 0.00 C ATOM 1296 C GLY A 79 4.174 4.175 12.851 1.00 0.00 C ATOM 1297 O GLY A 79 4.171 5.405 12.884 1.00 0.00 O ATOM 0 H GLY A 79 3.833 1.568 14.086 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.489 3.678 14.908 1.00 0.00 H new ATOM 0 HA3 GLY A 79 5.942 3.633 13.928 1.00 0.00 H new ATOM 1301 N TYR A 80 3.573 3.474 11.896 1.00 0.00 N ATOM 1302 CA TYR A 80 2.858 4.121 10.798 1.00 0.00 C ATOM 1303 C TYR A 80 1.355 4.148 11.086 1.00 0.00 C ATOM 1304 O TYR A 80 0.531 3.815 10.234 1.00 0.00 O ATOM 1305 CB TYR A 80 3.155 3.392 9.482 1.00 0.00 C ATOM 1306 CG TYR A 80 4.615 3.441 9.085 1.00 0.00 C ATOM 1307 CD1 TYR A 80 5.115 4.492 8.325 1.00 0.00 C ATOM 1308 CD2 TYR A 80 5.494 2.437 9.472 1.00 0.00 C ATOM 1309 CE1 TYR A 80 6.447 4.540 7.965 1.00 0.00 C ATOM 1310 CE2 TYR A 80 6.827 2.479 9.114 1.00 0.00 C ATOM 1311 CZ TYR A 80 7.297 3.532 8.362 1.00 0.00 C ATOM 1312 OH TYR A 80 8.624 3.574 8.008 1.00 0.00 O ATOM 0 H TYR A 80 3.566 2.455 11.859 1.00 0.00 H new ATOM 0 HA TYR A 80 3.200 5.152 10.705 1.00 0.00 H new ATOM 0 HB2 TYR A 80 2.846 2.351 9.574 1.00 0.00 H new ATOM 0 HB3 TYR A 80 2.555 3.834 8.687 1.00 0.00 H new ATOM 0 HD1 TYR A 80 4.451 5.284 8.011 1.00 0.00 H new ATOM 0 HD2 TYR A 80 5.129 1.610 10.063 1.00 0.00 H new ATOM 0 HE1 TYR A 80 6.820 5.364 7.375 1.00 0.00 H new ATOM 0 HE2 TYR A 80 7.497 1.690 9.422 1.00 0.00 H new ATOM 0 HH TYR A 80 8.749 4.221 7.282 1.00 0.00 H new ATOM 1322 N GLN A 81 1.028 4.555 12.310 1.00 0.00 N ATOM 1323 CA GLN A 81 -0.354 4.638 12.792 1.00 0.00 C ATOM 1324 C GLN A 81 -1.185 5.658 12.012 1.00 0.00 C ATOM 1325 O GLN A 81 -2.334 5.387 11.664 1.00 0.00 O ATOM 1326 CB GLN A 81 -0.365 5.008 14.276 1.00 0.00 C ATOM 1327 CG GLN A 81 0.115 3.893 15.190 1.00 0.00 C ATOM 1328 CD GLN A 81 0.122 4.299 16.650 1.00 0.00 C ATOM 1329 OE1 GLN A 81 -0.874 4.139 17.355 1.00 0.00 O ATOM 1330 NE2 GLN A 81 1.248 4.828 17.114 1.00 0.00 N ATOM 0 H GLN A 81 1.719 4.840 13.004 1.00 0.00 H new ATOM 0 HA GLN A 81 -0.805 3.657 12.641 1.00 0.00 H new ATOM 0 HB2 GLN A 81 0.264 5.885 14.427 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -1.378 5.290 14.563 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -0.527 3.022 15.062 1.00 0.00 H new ATOM 0 HG3 GLN A 81 1.121 3.594 14.895 1.00 0.00 H new ATOM 0 HE21 GLN A 81 2.051 4.943 16.495 1.00 0.00 H new ATOM 0 HE22 GLN A 81 1.310 5.120 18.089 1.00 0.00 H new ATOM 1339 N ALA A 82 -0.603 6.832 11.757 1.00 0.00 N ATOM 1340 CA ALA A 82 -1.289 7.896 11.021 1.00 0.00 C ATOM 1341 C ALA A 82 -1.672 7.438 9.617 1.00 0.00 C ATOM 1342 O ALA A 82 -2.703 7.842 9.077 1.00 0.00 O ATOM 1343 CB ALA A 82 -0.408 9.135 10.953 1.00 0.00 C ATOM 0 H ALA A 82 0.344 7.070 12.050 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.207 8.141 11.554 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -0.927 9.921 10.404 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -0.189 9.482 11.963 1.00 0.00 H new ATOM 0 HB3 ALA A 82 0.524 8.891 10.444 1.00 0.00 H new ATOM 1349 N LEU A 83 -0.828 6.590 9.041 1.00 0.00 N ATOM 1350 CA LEU A 83 -1.050 6.050 7.707 1.00 0.00 C ATOM 1351 C LEU A 83 -2.161 5.002 7.718 1.00 0.00 C ATOM 1352 O LEU A 83 -2.923 4.880 6.759 1.00 0.00 O ATOM 1353 CB LEU A 83 0.247 5.428 7.186 1.00 0.00 C ATOM 1354 CG LEU A 83 1.274 6.424 6.637 1.00 0.00 C ATOM 1355 CD1 LEU A 83 2.088 7.040 7.764 1.00 0.00 C ATOM 1356 CD2 LEU A 83 2.193 5.739 5.640 1.00 0.00 C ATOM 0 H LEU A 83 0.028 6.258 9.486 1.00 0.00 H new ATOM 0 HA LEU A 83 -1.358 6.864 7.050 1.00 0.00 H new ATOM 0 HB2 LEU A 83 0.710 4.862 7.994 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.001 4.716 6.399 1.00 0.00 H new ATOM 0 HG LEU A 83 0.734 7.223 6.128 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.810 7.743 7.349 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.422 7.565 8.449 1.00 0.00 H new ATOM 0 HD13 LEU A 83 2.616 6.254 8.303 1.00 0.00 H new ATOM 0 HD21 LEU A 83 2.917 6.459 5.259 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.719 4.921 6.132 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.603 5.345 4.813 1.00 0.00 H new ATOM 1368 N ALA A 84 -2.250 4.258 8.823 1.00 0.00 N ATOM 1369 CA ALA A 84 -3.248 3.202 8.977 1.00 0.00 C ATOM 1370 C ALA A 84 -4.665 3.759 9.116 1.00 0.00 C ATOM 1371 O ALA A 84 -5.637 3.049 8.869 1.00 0.00 O ATOM 1372 CB ALA A 84 -2.902 2.329 10.176 1.00 0.00 C ATOM 0 H ALA A 84 -1.636 4.371 9.630 1.00 0.00 H new ATOM 0 HA ALA A 84 -3.229 2.599 8.069 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -3.651 1.545 10.283 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.922 1.877 10.026 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.885 2.940 11.078 1.00 0.00 H new ATOM 1378 N ASP A 85 -4.777 5.026 9.509 1.00 0.00 N ATOM 1379 CA ASP A 85 -6.082 5.665 9.674 1.00 0.00 C ATOM 1380 C ASP A 85 -6.570 6.281 8.363 1.00 0.00 C ATOM 1381 O ASP A 85 -7.773 6.452 8.157 1.00 0.00 O ATOM 1382 CB ASP A 85 -6.005 6.746 10.756 1.00 0.00 C ATOM 1383 CG ASP A 85 -7.328 6.951 11.466 1.00 0.00 C ATOM 1384 OD1 ASP A 85 -7.609 6.199 12.423 1.00 0.00 O ATOM 1385 OD2 ASP A 85 -8.083 7.863 11.068 1.00 0.00 O ATOM 0 H ASP A 85 -3.982 5.630 9.719 1.00 0.00 H new ATOM 0 HA ASP A 85 -6.794 4.897 9.976 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -5.243 6.472 11.486 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -5.689 7.686 10.304 1.00 0.00 H new ATOM 1390 N LYS A 86 -5.631 6.599 7.477 1.00 0.00 N ATOM 1391 CA LYS A 86 -5.961 7.212 6.194 1.00 0.00 C ATOM 1392 C LYS A 86 -6.516 6.195 5.197 1.00 0.00 C ATOM 1393 O LYS A 86 -7.575 6.416 4.612 1.00 0.00 O ATOM 1394 CB LYS A 86 -4.728 7.904 5.609 1.00 0.00 C ATOM 1395 CG LYS A 86 -4.380 9.208 6.310 1.00 0.00 C ATOM 1396 CD LYS A 86 -3.168 9.877 5.681 1.00 0.00 C ATOM 1397 CE LYS A 86 -2.816 11.177 6.390 1.00 0.00 C ATOM 1398 NZ LYS A 86 -1.643 11.852 5.767 1.00 0.00 N ATOM 0 H LYS A 86 -4.634 6.442 7.624 1.00 0.00 H new ATOM 0 HA LYS A 86 -6.742 7.951 6.376 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.876 7.227 5.672 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -4.899 8.103 4.551 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -5.233 9.885 6.265 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -4.182 9.013 7.364 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -2.316 9.198 5.720 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -3.368 10.078 4.629 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -3.675 11.847 6.366 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.601 10.972 7.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -1.437 12.733 6.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -0.816 11.223 5.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -1.856 12.072 4.773 1.00 0.00 H new ATOM 1412 N LEU A 87 -5.812 5.081 5.011 1.00 0.00 N ATOM 1413 CA LEU A 87 -6.249 4.056 4.063 1.00 0.00 C ATOM 1414 C LEU A 87 -7.461 3.277 4.575 1.00 0.00 C ATOM 1415 O LEU A 87 -8.238 2.753 3.780 1.00 0.00 O ATOM 1416 CB LEU A 87 -5.103 3.088 3.737 1.00 0.00 C ATOM 1417 CG LEU A 87 -4.350 2.513 4.942 1.00 0.00 C ATOM 1418 CD1 LEU A 87 -4.891 1.141 5.314 1.00 0.00 C ATOM 1419 CD2 LEU A 87 -2.862 2.427 4.643 1.00 0.00 C ATOM 0 H LEU A 87 -4.943 4.865 5.499 1.00 0.00 H new ATOM 0 HA LEU A 87 -6.548 4.575 3.152 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -5.507 2.259 3.156 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.387 3.605 3.098 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.501 3.182 5.789 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.341 0.753 6.172 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -5.948 1.223 5.568 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.772 0.462 4.470 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.340 2.017 5.508 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.701 1.779 3.781 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.476 3.423 4.425 1.00 0.00 H new ATOM 1431 N ASN A 88 -7.620 3.205 5.897 1.00 0.00 N ATOM 1432 CA ASN A 88 -8.736 2.475 6.495 1.00 0.00 C ATOM 1433 C ASN A 88 -10.067 3.185 6.259 1.00 0.00 C ATOM 1434 O ASN A 88 -11.089 2.539 6.033 1.00 0.00 O ATOM 1435 CB ASN A 88 -8.515 2.294 7.995 1.00 0.00 C ATOM 1436 CG ASN A 88 -9.164 1.030 8.525 1.00 0.00 C ATOM 1437 OD1 ASN A 88 -10.323 1.039 8.940 1.00 0.00 O ATOM 1438 ND2 ASN A 88 -8.418 -0.066 8.513 1.00 0.00 N ATOM 0 H ASN A 88 -6.992 3.642 6.571 1.00 0.00 H new ATOM 0 HA ASN A 88 -8.778 1.499 6.012 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -7.445 2.264 8.201 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -8.918 3.157 8.526 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -8.800 -0.947 8.857 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -7.462 -0.028 8.160 1.00 0.00 H new ATOM 1445 N LYS A 89 -10.045 4.513 6.300 1.00 0.00 N ATOM 1446 CA LYS A 89 -11.257 5.304 6.111 1.00 0.00 C ATOM 1447 C LYS A 89 -11.752 5.251 4.667 1.00 0.00 C ATOM 1448 O LYS A 89 -12.951 5.120 4.423 1.00 0.00 O ATOM 1449 CB LYS A 89 -11.015 6.752 6.531 1.00 0.00 C ATOM 1450 CG LYS A 89 -12.244 7.422 7.119 1.00 0.00 C ATOM 1451 CD LYS A 89 -11.950 8.844 7.560 1.00 0.00 C ATOM 1452 CE LYS A 89 -13.189 9.505 8.137 1.00 0.00 C ATOM 1453 NZ LYS A 89 -12.922 10.902 8.577 1.00 0.00 N ATOM 0 H LYS A 89 -9.202 5.064 6.462 1.00 0.00 H new ATOM 0 HA LYS A 89 -12.033 4.870 6.742 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -10.209 6.780 7.264 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -10.678 7.322 5.665 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -13.044 7.428 6.379 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -12.602 6.843 7.971 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -11.156 8.840 8.306 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -11.587 9.423 6.711 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -13.981 9.506 7.389 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -13.551 8.921 8.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -13.794 11.317 8.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -12.184 10.900 9.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -12.602 11.467 7.765 1.00 0.00 H new ATOM 1467 N TYR A 90 -10.826 5.356 3.717 1.00 0.00 N ATOM 1468 CA TYR A 90 -11.172 5.314 2.297 1.00 0.00 C ATOM 1469 C TYR A 90 -11.626 3.916 1.890 1.00 0.00 C ATOM 1470 O TYR A 90 -12.397 3.748 0.946 1.00 0.00 O ATOM 1471 CB TYR A 90 -9.975 5.740 1.448 1.00 0.00 C ATOM 1472 CG TYR A 90 -9.783 7.236 1.381 1.00 0.00 C ATOM 1473 CD1 TYR A 90 -10.433 7.998 0.421 1.00 0.00 C ATOM 1474 CD2 TYR A 90 -8.950 7.889 2.282 1.00 0.00 C ATOM 1475 CE1 TYR A 90 -10.260 9.367 0.359 1.00 0.00 C ATOM 1476 CE2 TYR A 90 -8.772 9.256 2.227 1.00 0.00 C ATOM 1477 CZ TYR A 90 -9.428 9.991 1.264 1.00 0.00 C ATOM 1478 OH TYR A 90 -9.249 11.355 1.210 1.00 0.00 O ATOM 0 H TYR A 90 -9.830 5.471 3.904 1.00 0.00 H new ATOM 0 HA TYR A 90 -11.995 6.008 2.128 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -9.072 5.284 1.854 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -10.101 5.353 0.437 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -11.085 7.513 -0.290 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -8.433 7.316 3.038 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -10.774 9.946 -0.394 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -8.122 9.747 2.935 1.00 0.00 H new ATOM 0 HH TYR A 90 -8.633 11.632 1.920 1.00 0.00 H new ATOM 1488 N LEU A 91 -11.137 2.920 2.619 1.00 0.00 N ATOM 1489 CA LEU A 91 -11.466 1.525 2.359 1.00 0.00 C ATOM 1490 C LEU A 91 -12.906 1.202 2.768 1.00 0.00 C ATOM 1491 O LEU A 91 -13.590 0.427 2.098 1.00 0.00 O ATOM 1492 CB LEU A 91 -10.486 0.630 3.114 1.00 0.00 C ATOM 1493 CG LEU A 91 -10.837 -0.854 3.148 1.00 0.00 C ATOM 1494 CD1 LEU A 91 -9.882 -1.644 2.266 1.00 0.00 C ATOM 1495 CD2 LEU A 91 -10.800 -1.364 4.578 1.00 0.00 C ATOM 0 H LEU A 91 -10.502 3.057 3.406 1.00 0.00 H new ATOM 0 HA LEU A 91 -11.383 1.342 1.288 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.500 0.741 2.663 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -10.410 0.990 4.140 1.00 0.00 H new ATOM 0 HG LEU A 91 -11.846 -0.989 2.760 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -10.145 -2.701 2.301 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -9.954 -1.285 1.239 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -8.861 -1.512 2.625 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -11.052 -2.424 4.593 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -9.800 -1.223 4.989 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -11.521 -0.811 5.180 1.00 0.00 H new ATOM 1507 N THR A 92 -13.359 1.800 3.867 1.00 0.00 N ATOM 1508 CA THR A 92 -14.715 1.574 4.365 1.00 0.00 C ATOM 1509 C THR A 92 -15.670 2.670 3.889 1.00 0.00 C ATOM 1510 O THR A 92 -16.787 2.799 4.393 1.00 0.00 O ATOM 1511 CB THR A 92 -14.744 1.497 5.907 1.00 0.00 C ATOM 1512 OG1 THR A 92 -13.497 0.989 6.396 1.00 0.00 O ATOM 1513 CG2 THR A 92 -15.877 0.600 6.383 1.00 0.00 C ATOM 0 H THR A 92 -12.807 2.446 4.431 1.00 0.00 H new ATOM 0 HA THR A 92 -15.046 0.617 3.961 1.00 0.00 H new ATOM 0 HB THR A 92 -14.907 2.503 6.294 1.00 0.00 H new ATOM 0 HG1 THR A 92 -12.803 1.673 6.295 1.00 0.00 H new ATOM 0 HG21 THR A 92 -15.877 0.561 7.472 1.00 0.00 H new ATOM 0 HG22 THR A 92 -16.829 1.000 6.034 1.00 0.00 H new ATOM 0 HG23 THR A 92 -15.738 -0.405 5.984 1.00 0.00 H new ATOM 1521 N LEU A 93 -15.226 3.453 2.910 1.00 0.00 N ATOM 1522 CA LEU A 93 -16.037 4.540 2.363 1.00 0.00 C ATOM 1523 C LEU A 93 -17.093 4.024 1.384 1.00 0.00 C ATOM 1524 O LEU A 93 -17.775 4.818 0.732 1.00 0.00 O ATOM 1525 CB LEU A 93 -15.144 5.569 1.669 1.00 0.00 C ATOM 1526 CG LEU A 93 -15.748 6.969 1.543 1.00 0.00 C ATOM 1527 CD1 LEU A 93 -15.547 7.758 2.827 1.00 0.00 C ATOM 1528 CD2 LEU A 93 -15.139 7.706 0.361 1.00 0.00 C ATOM 0 H LEU A 93 -14.307 3.356 2.477 1.00 0.00 H new ATOM 0 HA LEU A 93 -16.556 5.012 3.197 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -14.205 5.643 2.218 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -14.901 5.203 0.671 1.00 0.00 H new ATOM 0 HG LEU A 93 -16.819 6.867 1.370 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -15.984 8.751 2.716 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -16.032 7.238 3.653 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -14.481 7.852 3.033 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -15.580 8.700 0.286 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -14.062 7.796 0.504 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -15.338 7.151 -0.556 1.00 0.00 H new ATOM 1540 N GLU A 94 -17.218 2.695 1.293 1.00 0.00 N ATOM 1541 CA GLU A 94 -18.187 2.042 0.408 1.00 0.00 C ATOM 1542 C GLU A 94 -17.797 2.200 -1.063 1.00 0.00 C ATOM 1543 O GLU A 94 -17.209 1.248 -1.619 1.00 0.00 O ATOM 1544 CB GLU A 94 -19.604 2.582 0.646 1.00 0.00 C ATOM 1545 CG GLU A 94 -20.244 2.070 1.926 1.00 0.00 C ATOM 1546 CD GLU A 94 -21.673 2.542 2.091 1.00 0.00 C ATOM 1547 OE1 GLU A 94 -21.877 3.641 2.653 1.00 0.00 O ATOM 1548 OE2 GLU A 94 -22.592 1.815 1.660 1.00 0.00 O ATOM 0 H GLU A 94 -16.649 2.042 1.832 1.00 0.00 H new ATOM 0 HA GLU A 94 -18.179 0.979 0.647 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -19.568 3.671 0.678 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -20.235 2.309 -0.200 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -20.223 0.980 1.928 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -19.655 2.402 2.781 1.00 0.00 H new TER 1555 GLU A 94