USER MOD reduce.3.24.130724 H: found=0, std=0, add=784, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 780 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -163:sc= -7.95! (180deg=-10.9!) USER MOD Single : A 1 MET N :NH3+ -117:sc= 0.106 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 180:sc= -6.58! USER MOD Single : A 20 HIS :FLIP no HE2:sc= -2.22! C(o=-2.9!,f=-2.2!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 7:sc= -1.45 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HE2:sc= -12.2! C(o=-12!,f=-14!) USER MOD Single : A 61 LYS NZ :NH3+ -167:sc= 0.274 (180deg=0.215) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -0.0183 X(o=-0.018,f=-0.041) USER MOD ----------------------------------------------------------------- ATOM 36 N MET A 1 13.719 4.598 -7.185 1.00 0.00 N ATOM 37 CA MET A 1 12.627 3.712 -7.548 1.00 0.00 C ATOM 38 C MET A 1 12.059 4.075 -8.921 1.00 0.00 C ATOM 39 O MET A 1 12.347 5.147 -9.452 1.00 0.00 O ATOM 40 CB MET A 1 11.520 3.807 -6.496 1.00 0.00 C ATOM 41 CG MET A 1 10.608 5.005 -6.768 1.00 0.00 C ATOM 42 SD MET A 1 9.375 5.137 -5.483 1.00 0.00 S ATOM 43 CE MET A 1 9.035 3.408 -5.201 1.00 0.00 C ATOM 0 H1 MET A 1 14.596 4.048 -7.092 1.00 0.00 H new ATOM 0 H2 MET A 1 13.840 5.320 -7.923 1.00 0.00 H new ATOM 0 H3 MET A 1 13.504 5.061 -6.279 1.00 0.00 H new ATOM 0 HA MET A 1 13.011 2.693 -7.593 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.932 2.889 -6.498 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.963 3.900 -5.504 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.199 5.920 -6.812 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.124 4.891 -7.738 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.093 3.306 -4.661 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.963 2.891 -6.158 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.841 2.970 -4.611 1.00 0.00 H new ATOM 53 N ASP A 2 11.263 3.162 -9.458 1.00 0.00 N ATOM 54 CA ASP A 2 10.652 3.374 -10.759 1.00 0.00 C ATOM 55 C ASP A 2 9.300 2.660 -10.805 1.00 0.00 C ATOM 56 O ASP A 2 9.033 1.775 -9.993 1.00 0.00 O ATOM 57 CB ASP A 2 11.526 2.802 -11.877 1.00 0.00 C ATOM 58 CG ASP A 2 12.954 3.351 -11.926 1.00 0.00 C ATOM 59 OD1 ASP A 2 13.725 3.009 -11.004 1.00 0.00 O ATOM 60 OD2 ASP A 2 13.241 4.100 -12.885 1.00 0.00 O ATOM 0 H ASP A 2 11.027 2.274 -9.016 1.00 0.00 H new ATOM 0 HA ASP A 2 10.535 4.448 -10.906 1.00 0.00 H new ATOM 0 HB2 ASP A 2 11.573 1.719 -11.763 1.00 0.00 H new ATOM 0 HB3 ASP A 2 11.043 3.001 -12.834 1.00 0.00 H new ATOM 65 N LEU A 3 8.481 3.071 -11.762 1.00 0.00 N ATOM 66 CA LEU A 3 7.163 2.482 -11.924 1.00 0.00 C ATOM 67 C LEU A 3 7.306 0.974 -12.139 1.00 0.00 C ATOM 68 O LEU A 3 6.569 0.186 -11.549 1.00 0.00 O ATOM 69 CB LEU A 3 6.393 3.191 -13.039 1.00 0.00 C ATOM 70 CG LEU A 3 5.593 4.427 -12.621 1.00 0.00 C ATOM 71 CD1 LEU A 3 4.341 4.029 -11.835 1.00 0.00 C ATOM 72 CD2 LEU A 3 6.469 5.410 -11.843 1.00 0.00 C ATOM 0 H LEU A 3 8.705 3.805 -12.433 1.00 0.00 H new ATOM 0 HA LEU A 3 6.570 2.621 -11.020 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.102 3.486 -13.812 1.00 0.00 H new ATOM 0 HB3 LEU A 3 5.707 2.475 -13.492 1.00 0.00 H new ATOM 0 HG LEU A 3 5.258 4.939 -13.523 1.00 0.00 H new ATOM 0 HD11 LEU A 3 3.790 4.925 -11.550 1.00 0.00 H new ATOM 0 HD12 LEU A 3 3.707 3.396 -12.456 1.00 0.00 H new ATOM 0 HD13 LEU A 3 4.633 3.482 -10.939 1.00 0.00 H new ATOM 0 HD21 LEU A 3 5.876 6.279 -11.558 1.00 0.00 H new ATOM 0 HD22 LEU A 3 6.854 4.924 -10.947 1.00 0.00 H new ATOM 0 HD23 LEU A 3 7.302 5.729 -12.469 1.00 0.00 H new ATOM 84 N GLU A 4 8.261 0.617 -12.986 1.00 0.00 N ATOM 85 CA GLU A 4 8.510 -0.783 -13.286 1.00 0.00 C ATOM 86 C GLU A 4 8.911 -1.535 -12.016 1.00 0.00 C ATOM 87 O GLU A 4 8.419 -2.633 -11.759 1.00 0.00 O ATOM 88 CB GLU A 4 9.580 -0.929 -14.370 1.00 0.00 C ATOM 89 CG GLU A 4 9.066 -0.422 -15.720 1.00 0.00 C ATOM 90 CD GLU A 4 10.156 -0.510 -16.790 1.00 0.00 C ATOM 91 OE1 GLU A 4 11.336 -0.339 -16.413 1.00 0.00 O ATOM 92 OE2 GLU A 4 9.785 -0.746 -17.960 1.00 0.00 O ATOM 0 H GLU A 4 8.871 1.273 -13.474 1.00 0.00 H new ATOM 0 HA GLU A 4 7.589 -1.222 -13.669 1.00 0.00 H new ATOM 0 HB2 GLU A 4 10.472 -0.371 -14.083 1.00 0.00 H new ATOM 0 HB3 GLU A 4 9.873 -1.975 -14.458 1.00 0.00 H new ATOM 0 HG2 GLU A 4 8.201 -1.010 -16.028 1.00 0.00 H new ATOM 0 HG3 GLU A 4 8.731 0.611 -15.621 1.00 0.00 H new ATOM 99 N THR A 5 9.800 -0.914 -11.254 1.00 0.00 N ATOM 100 CA THR A 5 10.272 -1.511 -10.017 1.00 0.00 C ATOM 101 C THR A 5 9.113 -1.689 -9.034 1.00 0.00 C ATOM 102 O THR A 5 9.081 -2.658 -8.276 1.00 0.00 O ATOM 103 CB THR A 5 11.402 -0.636 -9.471 1.00 0.00 C ATOM 104 OG1 THR A 5 12.590 -1.323 -9.855 1.00 0.00 O ATOM 105 CG2 THR A 5 11.453 -0.631 -7.942 1.00 0.00 C ATOM 0 H THR A 5 10.206 -0.003 -11.470 1.00 0.00 H new ATOM 0 HA THR A 5 10.669 -2.512 -10.187 1.00 0.00 H new ATOM 0 HB THR A 5 11.277 0.384 -9.833 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.373 -0.823 -9.542 1.00 0.00 H new ATOM 0 HG21 THR A 5 12.273 0.005 -7.607 1.00 0.00 H new ATOM 0 HG22 THR A 5 10.512 -0.248 -7.548 1.00 0.00 H new ATOM 0 HG23 THR A 5 11.611 -1.647 -7.580 1.00 0.00 H new ATOM 113 N LEU A 6 8.190 -0.740 -9.079 1.00 0.00 N ATOM 114 CA LEU A 6 7.032 -0.780 -8.202 1.00 0.00 C ATOM 115 C LEU A 6 6.279 -2.095 -8.418 1.00 0.00 C ATOM 116 O LEU A 6 5.871 -2.746 -7.458 1.00 0.00 O ATOM 117 CB LEU A 6 6.165 0.465 -8.402 1.00 0.00 C ATOM 118 CG LEU A 6 6.416 1.619 -7.430 1.00 0.00 C ATOM 119 CD1 LEU A 6 6.908 1.100 -6.078 1.00 0.00 C ATOM 120 CD2 LEU A 6 7.376 2.646 -8.034 1.00 0.00 C ATOM 0 H LEU A 6 8.220 0.062 -9.709 1.00 0.00 H new ATOM 0 HA LEU A 6 7.344 -0.759 -7.158 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.318 0.831 -9.417 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.118 0.171 -8.324 1.00 0.00 H new ATOM 0 HG LEU A 6 5.469 2.129 -7.254 1.00 0.00 H new ATOM 0 HD11 LEU A 6 7.079 1.941 -5.406 1.00 0.00 H new ATOM 0 HD12 LEU A 6 6.157 0.438 -5.647 1.00 0.00 H new ATOM 0 HD13 LEU A 6 7.839 0.551 -6.216 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.537 3.456 -7.322 1.00 0.00 H new ATOM 0 HD22 LEU A 6 8.328 2.166 -8.259 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.947 3.049 -8.951 1.00 0.00 H new ATOM 132 N ARG A 7 6.118 -2.446 -9.686 1.00 0.00 N ATOM 133 CA ARG A 7 5.421 -3.670 -10.040 1.00 0.00 C ATOM 134 C ARG A 7 6.272 -4.889 -9.677 1.00 0.00 C ATOM 135 O ARG A 7 5.743 -5.920 -9.266 1.00 0.00 O ATOM 136 CB ARG A 7 5.100 -3.709 -11.536 1.00 0.00 C ATOM 137 CG ARG A 7 4.867 -2.299 -12.082 1.00 0.00 C ATOM 138 CD ARG A 7 4.080 -1.447 -11.084 1.00 0.00 C ATOM 139 NE ARG A 7 3.040 -0.668 -11.793 1.00 0.00 N ATOM 140 CZ ARG A 7 1.921 -0.210 -11.216 1.00 0.00 C ATOM 141 NH1 ARG A 7 1.691 -0.449 -9.917 1.00 0.00 N ATOM 142 NH2 ARG A 7 1.032 0.487 -11.936 1.00 0.00 N ATOM 0 H ARG A 7 6.458 -1.904 -10.480 1.00 0.00 H new ATOM 0 HA ARG A 7 4.487 -3.693 -9.479 1.00 0.00 H new ATOM 0 HB2 ARG A 7 5.921 -4.181 -12.076 1.00 0.00 H new ATOM 0 HB3 ARG A 7 4.214 -4.320 -11.706 1.00 0.00 H new ATOM 0 HG2 ARG A 7 5.825 -1.825 -12.294 1.00 0.00 H new ATOM 0 HG3 ARG A 7 4.323 -2.356 -13.025 1.00 0.00 H new ATOM 0 HD2 ARG A 7 3.618 -2.087 -10.332 1.00 0.00 H new ATOM 0 HD3 ARG A 7 4.755 -0.773 -10.557 1.00 0.00 H new ATOM 0 HE ARG A 7 3.184 -0.467 -12.783 1.00 0.00 H new ATOM 0 HH11 ARG A 7 2.368 -0.979 -9.368 1.00 0.00 H new ATOM 0 HH12 ARG A 7 0.839 -0.100 -9.477 1.00 0.00 H new ATOM 0 HH21 ARG A 7 1.207 0.669 -12.924 1.00 0.00 H new ATOM 0 HH22 ARG A 7 0.180 0.835 -11.496 1.00 0.00 H new ATOM 156 N ALA A 8 7.577 -4.730 -9.843 1.00 0.00 N ATOM 157 CA ALA A 8 8.507 -5.805 -9.538 1.00 0.00 C ATOM 158 C ALA A 8 8.473 -6.091 -8.036 1.00 0.00 C ATOM 159 O ALA A 8 8.314 -7.239 -7.623 1.00 0.00 O ATOM 160 CB ALA A 8 9.906 -5.424 -10.028 1.00 0.00 C ATOM 0 H ALA A 8 8.013 -3.873 -10.185 1.00 0.00 H new ATOM 0 HA ALA A 8 8.219 -6.721 -10.055 1.00 0.00 H new ATOM 0 HB1 ALA A 8 10.604 -6.230 -9.799 1.00 0.00 H new ATOM 0 HB2 ALA A 8 9.882 -5.260 -11.105 1.00 0.00 H new ATOM 0 HB3 ALA A 8 10.230 -4.511 -9.529 1.00 0.00 H new ATOM 166 N ARG A 9 8.625 -5.028 -7.259 1.00 0.00 N ATOM 167 CA ARG A 9 8.613 -5.151 -5.812 1.00 0.00 C ATOM 168 C ARG A 9 7.205 -5.487 -5.318 1.00 0.00 C ATOM 169 O ARG A 9 7.043 -6.164 -4.304 1.00 0.00 O ATOM 170 CB ARG A 9 9.085 -3.857 -5.145 1.00 0.00 C ATOM 171 CG ARG A 9 8.219 -2.672 -5.576 1.00 0.00 C ATOM 172 CD ARG A 9 7.071 -2.444 -4.590 1.00 0.00 C ATOM 173 NE ARG A 9 7.604 -2.316 -3.215 1.00 0.00 N ATOM 174 CZ ARG A 9 6.852 -2.041 -2.140 1.00 0.00 C ATOM 175 NH1 ARG A 9 5.531 -1.864 -2.275 1.00 0.00 N ATOM 176 NH2 ARG A 9 7.421 -1.944 -0.931 1.00 0.00 N ATOM 0 H ARG A 9 8.757 -4.078 -7.605 1.00 0.00 H new ATOM 0 HA ARG A 9 9.297 -5.956 -5.543 1.00 0.00 H new ATOM 0 HB2 ARG A 9 9.045 -3.966 -4.061 1.00 0.00 H new ATOM 0 HB3 ARG A 9 10.126 -3.666 -5.408 1.00 0.00 H new ATOM 0 HG2 ARG A 9 8.832 -1.773 -5.640 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.816 -2.855 -6.572 1.00 0.00 H new ATOM 0 HD2 ARG A 9 6.521 -1.543 -4.861 1.00 0.00 H new ATOM 0 HD3 ARG A 9 6.367 -3.274 -4.640 1.00 0.00 H new ATOM 0 HE ARG A 9 8.606 -2.445 -3.077 1.00 0.00 H new ATOM 0 HH11 ARG A 9 5.098 -1.939 -3.195 1.00 0.00 H new ATOM 0 HH12 ARG A 9 4.958 -1.655 -1.457 1.00 0.00 H new ATOM 0 HH21 ARG A 9 8.427 -2.079 -0.828 1.00 0.00 H new ATOM 0 HH22 ARG A 9 6.848 -1.735 -0.113 1.00 0.00 H new ATOM 190 N ARG A 10 6.221 -4.999 -6.059 1.00 0.00 N ATOM 191 CA ARG A 10 4.831 -5.239 -5.710 1.00 0.00 C ATOM 192 C ARG A 10 4.564 -6.741 -5.593 1.00 0.00 C ATOM 193 O ARG A 10 3.877 -7.183 -4.675 1.00 0.00 O ATOM 194 CB ARG A 10 3.889 -4.640 -6.756 1.00 0.00 C ATOM 195 CG ARG A 10 2.949 -3.611 -6.123 1.00 0.00 C ATOM 196 CD ARG A 10 3.710 -2.345 -5.725 1.00 0.00 C ATOM 197 NE ARG A 10 3.501 -1.289 -6.740 1.00 0.00 N ATOM 198 CZ ARG A 10 2.547 -0.351 -6.663 1.00 0.00 C ATOM 199 NH1 ARG A 10 1.710 -0.332 -5.617 1.00 0.00 N ATOM 200 NH2 ARG A 10 2.432 0.569 -7.631 1.00 0.00 N ATOM 0 H ARG A 10 6.359 -4.438 -6.900 1.00 0.00 H new ATOM 0 HA ARG A 10 4.643 -4.758 -4.750 1.00 0.00 H new ATOM 0 HB2 ARG A 10 4.471 -4.168 -7.547 1.00 0.00 H new ATOM 0 HB3 ARG A 10 3.305 -5.434 -7.221 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.156 -3.357 -6.826 1.00 0.00 H new ATOM 0 HG3 ARG A 10 2.470 -4.043 -5.244 1.00 0.00 H new ATOM 0 HD2 ARG A 10 3.368 -1.997 -4.750 1.00 0.00 H new ATOM 0 HD3 ARG A 10 4.773 -2.565 -5.630 1.00 0.00 H new ATOM 0 HE ARG A 10 4.122 -1.274 -7.549 1.00 0.00 H new ATOM 0 HH11 ARG A 10 1.799 -1.031 -4.880 1.00 0.00 H new ATOM 0 HH12 ARG A 10 0.984 0.382 -5.558 1.00 0.00 H new ATOM 0 HH21 ARG A 10 3.071 0.555 -8.426 1.00 0.00 H new ATOM 0 HH22 ARG A 10 1.706 1.283 -7.572 1.00 0.00 H new ATOM 214 N GLU A 11 5.123 -7.483 -6.538 1.00 0.00 N ATOM 215 CA GLU A 11 4.954 -8.926 -6.553 1.00 0.00 C ATOM 216 C GLU A 11 5.484 -9.536 -5.253 1.00 0.00 C ATOM 217 O GLU A 11 4.822 -10.372 -4.640 1.00 0.00 O ATOM 218 CB GLU A 11 5.643 -9.546 -7.770 1.00 0.00 C ATOM 219 CG GLU A 11 4.621 -9.926 -8.844 1.00 0.00 C ATOM 220 CD GLU A 11 5.313 -10.517 -10.074 1.00 0.00 C ATOM 221 OE1 GLU A 11 6.299 -9.895 -10.524 1.00 0.00 O ATOM 222 OE2 GLU A 11 4.839 -11.577 -10.537 1.00 0.00 O ATOM 0 H GLU A 11 5.693 -7.112 -7.298 1.00 0.00 H new ATOM 0 HA GLU A 11 3.889 -9.147 -6.628 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.364 -8.841 -8.183 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.201 -10.431 -7.465 1.00 0.00 H new ATOM 0 HG2 GLU A 11 3.913 -10.649 -8.438 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.047 -9.045 -9.133 1.00 0.00 H new ATOM 229 N ALA A 12 6.674 -9.095 -4.872 1.00 0.00 N ATOM 230 CA ALA A 12 7.300 -9.587 -3.657 1.00 0.00 C ATOM 231 C ALA A 12 6.577 -9.001 -2.442 1.00 0.00 C ATOM 232 O ALA A 12 6.398 -9.683 -1.434 1.00 0.00 O ATOM 233 CB ALA A 12 8.790 -9.237 -3.672 1.00 0.00 C ATOM 0 H ALA A 12 7.221 -8.402 -5.383 1.00 0.00 H new ATOM 0 HA ALA A 12 7.220 -10.672 -3.597 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.260 -9.606 -2.760 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.264 -9.700 -4.537 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.909 -8.155 -3.729 1.00 0.00 H new ATOM 239 N VAL A 13 6.180 -7.745 -2.579 1.00 0.00 N ATOM 240 CA VAL A 13 5.480 -7.060 -1.505 1.00 0.00 C ATOM 241 C VAL A 13 4.119 -7.723 -1.286 1.00 0.00 C ATOM 242 O VAL A 13 3.657 -7.840 -0.152 1.00 0.00 O ATOM 243 CB VAL A 13 5.375 -5.566 -1.819 1.00 0.00 C ATOM 244 CG1 VAL A 13 4.303 -4.899 -0.954 1.00 0.00 C ATOM 245 CG2 VAL A 13 6.728 -4.873 -1.647 1.00 0.00 C ATOM 0 H VAL A 13 6.329 -7.183 -3.417 1.00 0.00 H new ATOM 0 HA VAL A 13 6.036 -7.143 -0.571 1.00 0.00 H new ATOM 0 HB VAL A 13 5.077 -5.463 -2.862 1.00 0.00 H new ATOM 0 HG11 VAL A 13 4.248 -3.838 -1.196 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.337 -5.366 -1.147 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.559 -5.018 0.099 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.625 -3.812 -1.876 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.069 -4.991 -0.618 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.455 -5.322 -2.324 1.00 0.00 H new ATOM 255 N LEU A 14 3.515 -8.139 -2.389 1.00 0.00 N ATOM 256 CA LEU A 14 2.215 -8.787 -2.332 1.00 0.00 C ATOM 257 C LEU A 14 2.322 -10.060 -1.491 1.00 0.00 C ATOM 258 O LEU A 14 1.447 -10.344 -0.674 1.00 0.00 O ATOM 259 CB LEU A 14 1.672 -9.025 -3.742 1.00 0.00 C ATOM 260 CG LEU A 14 0.873 -7.874 -4.357 1.00 0.00 C ATOM 261 CD1 LEU A 14 -0.629 -8.158 -4.298 1.00 0.00 C ATOM 262 CD2 LEU A 14 1.231 -6.543 -3.693 1.00 0.00 C ATOM 0 H LEU A 14 3.901 -8.040 -3.328 1.00 0.00 H new ATOM 0 HA LEU A 14 1.488 -8.140 -1.841 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.511 -9.250 -4.400 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.037 -9.911 -3.721 1.00 0.00 H new ATOM 0 HG LEU A 14 1.145 -7.792 -5.409 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.174 -7.325 -4.741 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.849 -9.071 -4.851 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.936 -8.281 -3.259 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.649 -5.741 -4.148 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.005 -6.595 -2.628 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.294 -6.343 -3.829 1.00 0.00 H new ATOM 274 N SER A 15 3.401 -10.794 -1.720 1.00 0.00 N ATOM 275 CA SER A 15 3.633 -12.031 -0.993 1.00 0.00 C ATOM 276 C SER A 15 3.967 -11.724 0.468 1.00 0.00 C ATOM 277 O SER A 15 3.611 -12.489 1.364 1.00 0.00 O ATOM 278 CB SER A 15 4.759 -12.844 -1.636 1.00 0.00 C ATOM 279 OG SER A 15 4.336 -14.160 -1.981 1.00 0.00 O ATOM 0 H SER A 15 4.124 -10.556 -2.399 1.00 0.00 H new ATOM 0 HA SER A 15 2.722 -12.628 -1.033 1.00 0.00 H new ATOM 0 HB2 SER A 15 5.112 -12.330 -2.530 1.00 0.00 H new ATOM 0 HB3 SER A 15 5.602 -12.903 -0.948 1.00 0.00 H new ATOM 0 HG SER A 15 5.082 -14.647 -2.390 1.00 0.00 H new ATOM 285 N LEU A 16 4.647 -10.604 0.664 1.00 0.00 N ATOM 286 CA LEU A 16 5.033 -10.187 2.002 1.00 0.00 C ATOM 287 C LEU A 16 3.809 -9.630 2.731 1.00 0.00 C ATOM 288 O LEU A 16 3.598 -9.920 3.907 1.00 0.00 O ATOM 289 CB LEU A 16 6.210 -9.211 1.940 1.00 0.00 C ATOM 290 CG LEU A 16 6.175 -8.055 2.942 1.00 0.00 C ATOM 291 CD1 LEU A 16 7.546 -7.385 3.053 1.00 0.00 C ATOM 292 CD2 LEU A 16 5.075 -7.054 2.587 1.00 0.00 C ATOM 0 H LEU A 16 4.941 -9.972 -0.081 1.00 0.00 H new ATOM 0 HA LEU A 16 5.387 -11.041 2.580 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.131 -9.773 2.095 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.257 -8.793 0.934 1.00 0.00 H new ATOM 0 HG LEU A 16 5.934 -8.462 3.924 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.494 -6.567 3.771 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.282 -8.116 3.388 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.840 -6.994 2.079 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.072 -6.243 3.315 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.260 -6.648 1.592 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.108 -7.556 2.600 1.00 0.00 H new ATOM 304 N CYS A 17 3.034 -8.841 2.001 1.00 0.00 N ATOM 305 CA CYS A 17 1.837 -8.240 2.564 1.00 0.00 C ATOM 306 C CYS A 17 0.934 -9.362 3.080 1.00 0.00 C ATOM 307 O CYS A 17 0.360 -9.254 4.162 1.00 0.00 O ATOM 308 CB CYS A 17 1.118 -7.351 1.547 1.00 0.00 C ATOM 309 SG CYS A 17 1.353 -5.589 1.980 1.00 0.00 S ATOM 0 H CYS A 17 3.212 -8.604 1.025 1.00 0.00 H new ATOM 0 HA CYS A 17 2.110 -7.585 3.391 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.505 -7.543 0.546 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.055 -7.591 1.529 1.00 0.00 H new ATOM 0 HG CYS A 17 0.741 -4.843 1.109 1.00 0.00 H new ATOM 315 N ALA A 18 0.835 -10.414 2.280 1.00 0.00 N ATOM 316 CA ALA A 18 0.012 -11.555 2.642 1.00 0.00 C ATOM 317 C ALA A 18 0.507 -12.136 3.968 1.00 0.00 C ATOM 318 O ALA A 18 -0.286 -12.637 4.765 1.00 0.00 O ATOM 319 CB ALA A 18 0.038 -12.584 1.510 1.00 0.00 C ATOM 0 H ALA A 18 1.311 -10.500 1.382 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.025 -11.250 2.782 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.580 -13.440 1.782 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.351 -12.131 0.598 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.063 -12.915 1.343 1.00 0.00 H new ATOM 325 N ARG A 19 1.814 -12.049 4.164 1.00 0.00 N ATOM 326 CA ARG A 19 2.424 -12.559 5.380 1.00 0.00 C ATOM 327 C ARG A 19 2.091 -11.649 6.564 1.00 0.00 C ATOM 328 O ARG A 19 2.182 -12.066 7.717 1.00 0.00 O ATOM 329 CB ARG A 19 3.944 -12.659 5.234 1.00 0.00 C ATOM 330 CG ARG A 19 4.361 -14.059 4.781 1.00 0.00 C ATOM 331 CD ARG A 19 5.349 -13.986 3.615 1.00 0.00 C ATOM 332 NE ARG A 19 6.044 -15.284 3.459 1.00 0.00 N ATOM 333 CZ ARG A 19 5.522 -16.345 2.831 1.00 0.00 C ATOM 334 NH1 ARG A 19 4.295 -16.270 2.295 1.00 0.00 N ATOM 335 NH2 ARG A 19 6.225 -17.482 2.737 1.00 0.00 N ATOM 0 H ARG A 19 2.468 -11.633 3.501 1.00 0.00 H new ATOM 0 HA ARG A 19 2.021 -13.556 5.559 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.293 -11.921 4.512 1.00 0.00 H new ATOM 0 HB3 ARG A 19 4.420 -12.424 6.186 1.00 0.00 H new ATOM 0 HG2 ARG A 19 4.815 -14.595 5.615 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.480 -14.626 4.481 1.00 0.00 H new ATOM 0 HD2 ARG A 19 4.821 -13.734 2.695 1.00 0.00 H new ATOM 0 HD3 ARG A 19 6.076 -13.194 3.793 1.00 0.00 H new ATOM 0 HE ARG A 19 6.980 -15.376 3.855 1.00 0.00 H new ATOM 0 HH11 ARG A 19 3.760 -15.405 2.366 1.00 0.00 H new ATOM 0 HH12 ARG A 19 3.897 -17.078 1.817 1.00 0.00 H new ATOM 0 HH21 ARG A 19 7.158 -17.540 3.144 1.00 0.00 H new ATOM 0 HH22 ARG A 19 5.827 -18.290 2.258 1.00 0.00 H new ATOM 349 N HIS A 20 1.711 -10.422 6.237 1.00 0.00 N ATOM 350 CA HIS A 20 1.363 -9.449 7.259 1.00 0.00 C ATOM 351 C HIS A 20 -0.157 -9.400 7.425 1.00 0.00 C ATOM 352 O HIS A 20 -0.667 -8.699 8.297 1.00 0.00 O ATOM 353 CB HIS A 20 1.969 -8.082 6.936 1.00 0.00 C ATOM 354 CG HIS A 20 3.476 -8.042 7.022 1.00 0.00 C ATOM 355 ND1 HIS A 20 4.426 -8.064 6.043 1.00 0.00 N flip ATOM 356 CD2 HIS A 20 4.157 -7.973 8.225 1.00 0.00 C flip ATOM 357 CE1 HIS A 20 5.621 -8.009 6.616 1.00 0.00 C flip ATOM 358 NE2 HIS A 20 5.457 -7.953 7.969 1.00 0.00 N flip ATOM 0 H HIS A 20 1.637 -10.080 5.279 1.00 0.00 H new ATOM 0 HA HIS A 20 1.788 -9.753 8.216 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.665 -7.790 5.931 1.00 0.00 H new ATOM 0 HB3 HIS A 20 1.556 -7.342 7.622 1.00 0.00 H new ATOM 0 HD1 HIS A 20 4.247 -8.114 5.040 1.00 0.00 H new ATOM 0 HD2 HIS A 20 3.706 -7.941 9.206 1.00 0.00 H new ATOM 0 HE1 HIS A 20 6.568 -8.009 6.097 1.00 0.00 H new ATOM 366 N GLY A 21 -0.838 -10.154 6.574 1.00 0.00 N ATOM 367 CA GLY A 21 -2.289 -10.205 6.616 1.00 0.00 C ATOM 368 C GLY A 21 -2.899 -9.387 5.476 1.00 0.00 C ATOM 369 O GLY A 21 -4.091 -9.500 5.195 1.00 0.00 O ATOM 0 H GLY A 21 -0.411 -10.734 5.852 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -2.622 -11.240 6.544 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -2.642 -9.822 7.573 1.00 0.00 H new ATOM 373 N ALA A 22 -2.054 -8.581 4.851 1.00 0.00 N ATOM 374 CA ALA A 22 -2.495 -7.743 3.748 1.00 0.00 C ATOM 375 C ALA A 22 -3.000 -8.632 2.610 1.00 0.00 C ATOM 376 O ALA A 22 -2.318 -9.569 2.199 1.00 0.00 O ATOM 377 CB ALA A 22 -1.349 -6.829 3.311 1.00 0.00 C ATOM 0 H ALA A 22 -1.066 -8.490 5.087 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.321 -7.103 4.058 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.680 -6.201 2.484 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.047 -6.199 4.147 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.502 -7.435 2.990 1.00 0.00 H new ATOM 383 N VAL A 23 -4.192 -8.305 2.131 1.00 0.00 N ATOM 384 CA VAL A 23 -4.796 -9.061 1.047 1.00 0.00 C ATOM 385 C VAL A 23 -5.270 -8.096 -0.041 1.00 0.00 C ATOM 386 O VAL A 23 -4.967 -8.285 -1.218 1.00 0.00 O ATOM 387 CB VAL A 23 -5.918 -9.948 1.591 1.00 0.00 C ATOM 388 CG1 VAL A 23 -5.410 -11.361 1.880 1.00 0.00 C ATOM 389 CG2 VAL A 23 -6.553 -9.327 2.837 1.00 0.00 C ATOM 0 H VAL A 23 -4.755 -7.527 2.474 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.064 -9.728 0.592 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.689 -10.021 0.824 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.228 -11.970 2.265 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.029 -11.806 0.961 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.611 -11.316 2.620 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.347 -9.977 3.203 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -5.795 -9.209 3.611 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -6.970 -8.352 2.585 1.00 0.00 H new ATOM 399 N ARG A 24 -6.005 -7.082 0.392 1.00 0.00 N ATOM 400 CA ARG A 24 -6.524 -6.087 -0.531 1.00 0.00 C ATOM 401 C ARG A 24 -5.428 -5.087 -0.905 1.00 0.00 C ATOM 402 O ARG A 24 -5.562 -3.890 -0.655 1.00 0.00 O ATOM 403 CB ARG A 24 -7.706 -5.332 0.081 1.00 0.00 C ATOM 404 CG ARG A 24 -8.962 -6.205 0.104 1.00 0.00 C ATOM 405 CD ARG A 24 -10.135 -5.496 -0.576 1.00 0.00 C ATOM 406 NE ARG A 24 -11.025 -6.491 -1.216 1.00 0.00 N ATOM 407 CZ ARG A 24 -12.197 -6.189 -1.791 1.00 0.00 C ATOM 408 NH1 ARG A 24 -12.628 -4.921 -1.810 1.00 0.00 N ATOM 409 NH2 ARG A 24 -12.939 -7.157 -2.347 1.00 0.00 N ATOM 0 H ARG A 24 -6.253 -6.928 1.369 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.864 -6.610 -1.425 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.457 -5.020 1.095 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.899 -4.426 -0.493 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.762 -7.150 -0.401 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.225 -6.444 1.135 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.694 -4.914 0.157 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.763 -4.795 -1.323 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.728 -7.467 -1.219 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -12.064 -4.184 -1.387 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -13.520 -4.692 -2.248 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.611 -8.123 -2.332 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.831 -6.928 -2.785 1.00 0.00 H new ATOM 423 N VAL A 25 -4.367 -5.615 -1.497 1.00 0.00 N ATOM 424 CA VAL A 25 -3.248 -4.784 -1.908 1.00 0.00 C ATOM 425 C VAL A 25 -3.606 -4.059 -3.207 1.00 0.00 C ATOM 426 O VAL A 25 -3.553 -4.648 -4.285 1.00 0.00 O ATOM 427 CB VAL A 25 -1.981 -5.634 -2.027 1.00 0.00 C ATOM 428 CG1 VAL A 25 -0.742 -4.830 -1.629 1.00 0.00 C ATOM 429 CG2 VAL A 25 -2.097 -6.911 -1.193 1.00 0.00 C ATOM 0 H VAL A 25 -4.258 -6.608 -1.702 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.043 -4.022 -1.157 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.870 -5.925 -3.072 1.00 0.00 H new ATOM 0 HG11 VAL A 25 0.144 -5.457 -1.723 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.644 -3.964 -2.284 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.842 -4.495 -0.597 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.183 -7.497 -1.295 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -2.245 -6.649 -0.145 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.946 -7.498 -1.543 1.00 0.00 H new ATOM 439 N ARG A 26 -3.964 -2.792 -3.061 1.00 0.00 N ATOM 440 CA ARG A 26 -4.331 -1.981 -4.209 1.00 0.00 C ATOM 441 C ARG A 26 -3.732 -0.579 -4.081 1.00 0.00 C ATOM 442 O ARG A 26 -3.435 -0.125 -2.977 1.00 0.00 O ATOM 443 CB ARG A 26 -5.851 -1.869 -4.341 1.00 0.00 C ATOM 444 CG ARG A 26 -6.464 -3.203 -4.772 1.00 0.00 C ATOM 445 CD ARG A 26 -7.979 -3.203 -4.561 1.00 0.00 C ATOM 446 NE ARG A 26 -8.495 -4.590 -4.606 1.00 0.00 N ATOM 447 CZ ARG A 26 -9.794 -4.910 -4.533 1.00 0.00 C ATOM 448 NH1 ARG A 26 -10.717 -3.946 -4.412 1.00 0.00 N ATOM 449 NH2 ARG A 26 -10.171 -6.195 -4.582 1.00 0.00 N ATOM 0 H ARG A 26 -4.008 -2.307 -2.165 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.936 -2.469 -5.100 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -6.280 -1.558 -3.389 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -6.100 -1.098 -5.070 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -6.239 -3.388 -5.822 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -6.014 -4.015 -4.202 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -8.221 -2.747 -3.601 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -8.462 -2.601 -5.331 1.00 0.00 H new ATOM 0 HE ARG A 26 -7.820 -5.349 -4.698 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -10.431 -2.968 -4.375 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -11.706 -4.191 -4.357 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -9.469 -6.929 -4.675 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -11.160 -6.439 -4.526 1.00 0.00 H new ATOM 463 N VAL A 27 -3.573 0.069 -5.226 1.00 0.00 N ATOM 464 CA VAL A 27 -3.015 1.410 -5.256 1.00 0.00 C ATOM 465 C VAL A 27 -4.146 2.424 -5.444 1.00 0.00 C ATOM 466 O VAL A 27 -4.861 2.383 -6.444 1.00 0.00 O ATOM 467 CB VAL A 27 -1.940 1.505 -6.341 1.00 0.00 C ATOM 468 CG1 VAL A 27 -1.002 2.685 -6.080 1.00 0.00 C ATOM 469 CG2 VAL A 27 -1.157 0.196 -6.453 1.00 0.00 C ATOM 0 H VAL A 27 -3.821 -0.310 -6.140 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.525 1.641 -4.310 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.440 1.678 -7.294 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.247 2.730 -6.865 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.576 3.612 -6.074 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.514 2.555 -5.114 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.400 0.291 -7.231 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.674 -0.021 -5.501 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.839 -0.615 -6.707 1.00 0.00 H new ATOM 479 N PHE A 28 -4.271 3.310 -4.467 1.00 0.00 N ATOM 480 CA PHE A 28 -5.303 4.332 -4.513 1.00 0.00 C ATOM 481 C PHE A 28 -4.695 5.730 -4.376 1.00 0.00 C ATOM 482 O PHE A 28 -3.888 5.976 -3.481 1.00 0.00 O ATOM 483 CB PHE A 28 -6.237 4.078 -3.328 1.00 0.00 C ATOM 484 CG PHE A 28 -5.794 4.755 -2.030 1.00 0.00 C ATOM 485 CD1 PHE A 28 -6.076 6.068 -1.817 1.00 0.00 C ATOM 486 CD2 PHE A 28 -5.119 4.043 -1.088 1.00 0.00 C ATOM 487 CE1 PHE A 28 -5.665 6.696 -0.612 1.00 0.00 C ATOM 488 CE2 PHE A 28 -4.708 4.671 0.118 1.00 0.00 C ATOM 489 CZ PHE A 28 -4.990 5.985 0.330 1.00 0.00 C ATOM 0 H PHE A 28 -3.675 3.341 -3.640 1.00 0.00 H new ATOM 0 HA PHE A 28 -5.831 4.285 -5.465 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -7.237 4.428 -3.585 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -6.309 3.004 -3.159 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -6.613 6.633 -2.565 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -4.895 3.000 -1.257 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -5.889 7.739 -0.443 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -4.172 4.106 0.866 1.00 0.00 H new ATOM 0 HZ PHE A 28 -4.678 6.463 1.247 1.00 0.00 H new ATOM 499 N GLY A 29 -5.106 6.610 -5.278 1.00 0.00 N ATOM 500 CA GLY A 29 -4.613 7.976 -5.270 1.00 0.00 C ATOM 501 C GLY A 29 -3.825 8.282 -6.545 1.00 0.00 C ATOM 502 O GLY A 29 -4.013 7.625 -7.568 1.00 0.00 O ATOM 0 H GLY A 29 -5.775 6.403 -6.019 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -5.450 8.668 -5.181 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -3.977 8.132 -4.399 1.00 0.00 H new ATOM 506 N SER A 30 -2.960 9.280 -6.442 1.00 0.00 N ATOM 507 CA SER A 30 -2.142 9.682 -7.575 1.00 0.00 C ATOM 508 C SER A 30 -1.058 8.634 -7.835 1.00 0.00 C ATOM 509 O SER A 30 -0.642 8.437 -8.975 1.00 0.00 O ATOM 510 CB SER A 30 -1.509 11.054 -7.338 1.00 0.00 C ATOM 511 OG SER A 30 -2.000 12.033 -8.250 1.00 0.00 O ATOM 0 H SER A 30 -2.807 9.823 -5.592 1.00 0.00 H new ATOM 0 HA SER A 30 -2.785 9.756 -8.452 1.00 0.00 H new ATOM 0 HB2 SER A 30 -1.712 11.376 -6.317 1.00 0.00 H new ATOM 0 HB3 SER A 30 -0.426 10.976 -7.438 1.00 0.00 H new ATOM 0 HG SER A 30 -1.573 12.896 -8.065 1.00 0.00 H new ATOM 517 N VAL A 31 -0.631 7.991 -6.758 1.00 0.00 N ATOM 518 CA VAL A 31 0.397 6.968 -6.855 1.00 0.00 C ATOM 519 C VAL A 31 -0.072 5.869 -7.810 1.00 0.00 C ATOM 520 O VAL A 31 0.703 5.384 -8.633 1.00 0.00 O ATOM 521 CB VAL A 31 0.744 6.442 -5.461 1.00 0.00 C ATOM 522 CG1 VAL A 31 1.443 7.517 -4.628 1.00 0.00 C ATOM 523 CG2 VAL A 31 -0.503 5.918 -4.747 1.00 0.00 C ATOM 0 H VAL A 31 -0.978 8.159 -5.814 1.00 0.00 H new ATOM 0 HA VAL A 31 1.315 7.386 -7.268 1.00 0.00 H new ATOM 0 HB VAL A 31 1.436 5.609 -5.580 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.679 7.117 -3.642 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.364 7.821 -5.126 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.786 8.380 -4.522 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.229 5.550 -3.758 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.230 6.724 -4.645 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.941 5.106 -5.328 1.00 0.00 H new ATOM 533 N ALA A 32 -1.339 5.507 -7.669 1.00 0.00 N ATOM 534 CA ALA A 32 -1.921 4.474 -8.509 1.00 0.00 C ATOM 535 C ALA A 32 -1.678 4.822 -9.979 1.00 0.00 C ATOM 536 O ALA A 32 -1.440 3.936 -10.799 1.00 0.00 O ATOM 537 CB ALA A 32 -3.408 4.327 -8.182 1.00 0.00 C ATOM 0 H ALA A 32 -1.979 5.911 -6.985 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.449 3.511 -8.316 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.844 3.552 -8.812 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.525 4.051 -7.134 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.916 5.273 -8.366 1.00 0.00 H new ATOM 543 N ARG A 33 -1.748 6.113 -10.268 1.00 0.00 N ATOM 544 CA ARG A 33 -1.540 6.588 -11.625 1.00 0.00 C ATOM 545 C ARG A 33 -0.044 6.669 -11.935 1.00 0.00 C ATOM 546 O ARG A 33 0.351 6.717 -13.099 1.00 0.00 O ATOM 547 CB ARG A 33 -2.171 7.967 -11.828 1.00 0.00 C ATOM 548 CG ARG A 33 -3.368 7.888 -12.778 1.00 0.00 C ATOM 549 CD ARG A 33 -2.908 7.732 -14.229 1.00 0.00 C ATOM 550 NE ARG A 33 -3.081 9.010 -14.955 1.00 0.00 N ATOM 551 CZ ARG A 33 -2.675 9.220 -16.214 1.00 0.00 C ATOM 552 NH1 ARG A 33 -2.068 8.237 -16.895 1.00 0.00 N ATOM 553 NH2 ARG A 33 -2.874 10.411 -16.793 1.00 0.00 N ATOM 0 H ARG A 33 -1.946 6.845 -9.585 1.00 0.00 H new ATOM 0 HA ARG A 33 -2.017 5.879 -12.302 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -2.491 8.369 -10.867 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -1.428 8.655 -12.230 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -4.001 7.045 -12.501 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -3.975 8.788 -12.680 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -1.862 7.427 -14.257 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -3.482 6.945 -14.719 1.00 0.00 H new ATOM 0 HE ARG A 33 -3.538 9.779 -14.466 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -1.916 7.330 -16.454 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -1.759 8.396 -17.854 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -3.335 11.159 -16.275 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -2.564 10.570 -17.752 1.00 0.00 H new ATOM 567 N GLY A 34 0.749 6.680 -10.873 1.00 0.00 N ATOM 568 CA GLY A 34 2.193 6.753 -11.018 1.00 0.00 C ATOM 569 C GLY A 34 2.705 8.160 -10.700 1.00 0.00 C ATOM 570 O GLY A 34 3.679 8.618 -11.293 1.00 0.00 O ATOM 0 H GLY A 34 0.419 6.640 -9.909 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.666 6.031 -10.353 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.474 6.481 -12.035 1.00 0.00 H new ATOM 574 N GLU A 35 2.024 8.805 -9.764 1.00 0.00 N ATOM 575 CA GLU A 35 2.398 10.150 -9.359 1.00 0.00 C ATOM 576 C GLU A 35 2.783 10.171 -7.879 1.00 0.00 C ATOM 577 O GLU A 35 2.005 9.747 -7.025 1.00 0.00 O ATOM 578 CB GLU A 35 1.269 11.142 -9.647 1.00 0.00 C ATOM 579 CG GLU A 35 1.204 11.481 -11.138 1.00 0.00 C ATOM 580 CD GLU A 35 1.901 12.811 -11.429 1.00 0.00 C ATOM 581 OE1 GLU A 35 2.842 13.136 -10.674 1.00 0.00 O ATOM 582 OE2 GLU A 35 1.476 13.474 -12.400 1.00 0.00 O ATOM 0 H GLU A 35 1.216 8.421 -9.274 1.00 0.00 H new ATOM 0 HA GLU A 35 3.265 10.457 -9.943 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.317 10.719 -9.325 1.00 0.00 H new ATOM 0 HB3 GLU A 35 1.425 12.053 -9.070 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.674 10.686 -11.716 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.163 11.534 -11.457 1.00 0.00 H new ATOM 589 N ALA A 36 3.983 10.669 -7.620 1.00 0.00 N ATOM 590 CA ALA A 36 4.480 10.752 -6.257 1.00 0.00 C ATOM 591 C ALA A 36 5.857 11.420 -6.261 1.00 0.00 C ATOM 592 O ALA A 36 6.881 10.740 -6.218 1.00 0.00 O ATOM 593 CB ALA A 36 4.513 9.352 -5.640 1.00 0.00 C ATOM 0 H ALA A 36 4.626 11.019 -8.331 1.00 0.00 H new ATOM 0 HA ALA A 36 3.819 11.364 -5.643 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.886 9.414 -4.618 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.507 8.933 -5.635 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.170 8.711 -6.228 1.00 0.00 H new ATOM 599 N ARG A 37 5.837 12.743 -6.312 1.00 0.00 N ATOM 600 CA ARG A 37 7.071 13.511 -6.322 1.00 0.00 C ATOM 601 C ARG A 37 7.992 13.049 -5.191 1.00 0.00 C ATOM 602 O ARG A 37 7.634 12.164 -4.416 1.00 0.00 O ATOM 603 CB ARG A 37 6.790 15.007 -6.164 1.00 0.00 C ATOM 604 CG ARG A 37 5.721 15.255 -5.099 1.00 0.00 C ATOM 605 CD ARG A 37 4.571 16.094 -5.660 1.00 0.00 C ATOM 606 NE ARG A 37 4.468 17.371 -4.920 1.00 0.00 N ATOM 607 CZ ARG A 37 5.163 18.475 -5.226 1.00 0.00 C ATOM 608 NH1 ARG A 37 6.016 18.465 -6.259 1.00 0.00 N ATOM 609 NH2 ARG A 37 5.006 19.589 -4.498 1.00 0.00 N ATOM 0 H ARG A 37 4.986 13.304 -6.347 1.00 0.00 H new ATOM 0 HA ARG A 37 7.558 13.344 -7.283 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.708 15.526 -5.890 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.462 15.422 -7.117 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.337 14.302 -4.736 1.00 0.00 H new ATOM 0 HG3 ARG A 37 6.165 15.766 -4.245 1.00 0.00 H new ATOM 0 HD2 ARG A 37 4.736 16.290 -6.719 1.00 0.00 H new ATOM 0 HD3 ARG A 37 3.635 15.542 -5.581 1.00 0.00 H new ATOM 0 HE ARG A 37 3.828 17.414 -4.127 1.00 0.00 H new ATOM 0 HH11 ARG A 37 6.136 17.617 -6.813 1.00 0.00 H new ATOM 0 HH12 ARG A 37 6.545 19.306 -6.492 1.00 0.00 H new ATOM 0 HH21 ARG A 37 4.357 19.597 -3.711 1.00 0.00 H new ATOM 0 HH22 ARG A 37 5.535 20.429 -4.731 1.00 0.00 H new ATOM 623 N GLU A 38 9.161 13.670 -5.132 1.00 0.00 N ATOM 624 CA GLU A 38 10.136 13.334 -4.109 1.00 0.00 C ATOM 625 C GLU A 38 9.730 13.947 -2.767 1.00 0.00 C ATOM 626 O GLU A 38 10.270 13.581 -1.725 1.00 0.00 O ATOM 627 CB GLU A 38 11.539 13.789 -4.518 1.00 0.00 C ATOM 628 CG GLU A 38 11.516 15.222 -5.055 1.00 0.00 C ATOM 629 CD GLU A 38 12.643 16.055 -4.442 1.00 0.00 C ATOM 630 OE1 GLU A 38 12.978 15.781 -3.269 1.00 0.00 O ATOM 631 OE2 GLU A 38 13.143 16.949 -5.159 1.00 0.00 O ATOM 0 H GLU A 38 9.455 14.404 -5.776 1.00 0.00 H new ATOM 0 HA GLU A 38 10.159 12.250 -3.999 1.00 0.00 H new ATOM 0 HB2 GLU A 38 12.209 13.729 -3.660 1.00 0.00 H new ATOM 0 HB3 GLU A 38 11.935 13.118 -5.280 1.00 0.00 H new ATOM 0 HG2 GLU A 38 11.617 15.209 -6.140 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.554 15.683 -4.830 1.00 0.00 H new ATOM 638 N ASP A 39 8.781 14.870 -2.837 1.00 0.00 N ATOM 639 CA ASP A 39 8.297 15.537 -1.641 1.00 0.00 C ATOM 640 C ASP A 39 6.856 15.100 -1.367 1.00 0.00 C ATOM 641 O ASP A 39 6.023 15.913 -0.969 1.00 0.00 O ATOM 642 CB ASP A 39 8.305 17.057 -1.816 1.00 0.00 C ATOM 643 CG ASP A 39 8.197 17.858 -0.517 1.00 0.00 C ATOM 644 OD1 ASP A 39 8.303 17.221 0.553 1.00 0.00 O ATOM 645 OD2 ASP A 39 8.012 19.090 -0.624 1.00 0.00 O ATOM 0 H ASP A 39 8.335 15.171 -3.703 1.00 0.00 H new ATOM 0 HA ASP A 39 8.954 15.266 -0.814 1.00 0.00 H new ATOM 0 HB2 ASP A 39 9.224 17.344 -2.327 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.477 17.337 -2.468 1.00 0.00 H new ATOM 650 N SER A 40 6.607 13.818 -1.591 1.00 0.00 N ATOM 651 CA SER A 40 5.282 13.264 -1.373 1.00 0.00 C ATOM 652 C SER A 40 5.394 11.848 -0.804 1.00 0.00 C ATOM 653 O SER A 40 6.480 11.271 -0.775 1.00 0.00 O ATOM 654 CB SER A 40 4.470 13.252 -2.670 1.00 0.00 C ATOM 655 OG SER A 40 3.994 14.551 -3.014 1.00 0.00 O ATOM 0 H SER A 40 7.301 13.147 -1.921 1.00 0.00 H new ATOM 0 HA SER A 40 4.760 13.897 -0.655 1.00 0.00 H new ATOM 0 HB2 SER A 40 5.088 12.866 -3.481 1.00 0.00 H new ATOM 0 HB3 SER A 40 3.624 12.573 -2.562 1.00 0.00 H new ATOM 0 HG SER A 40 4.384 15.214 -2.407 1.00 0.00 H new ATOM 661 N ASP A 41 4.256 11.329 -0.366 1.00 0.00 N ATOM 662 CA ASP A 41 4.213 9.992 0.201 1.00 0.00 C ATOM 663 C ASP A 41 3.510 9.050 -0.778 1.00 0.00 C ATOM 664 O ASP A 41 3.068 9.475 -1.845 1.00 0.00 O ATOM 665 CB ASP A 41 3.431 9.976 1.516 1.00 0.00 C ATOM 666 CG ASP A 41 2.415 11.109 1.678 1.00 0.00 C ATOM 667 OD1 ASP A 41 2.864 12.234 1.987 1.00 0.00 O ATOM 668 OD2 ASP A 41 1.213 10.823 1.490 1.00 0.00 O ATOM 0 H ASP A 41 3.357 11.810 -0.392 1.00 0.00 H new ATOM 0 HA ASP A 41 5.238 9.672 0.387 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.907 9.024 1.598 1.00 0.00 H new ATOM 0 HB3 ASP A 41 4.139 10.022 2.343 1.00 0.00 H new ATOM 673 N LEU A 42 3.428 7.789 -0.381 1.00 0.00 N ATOM 674 CA LEU A 42 2.785 6.784 -1.211 1.00 0.00 C ATOM 675 C LEU A 42 1.536 6.263 -0.498 1.00 0.00 C ATOM 676 O LEU A 42 1.631 5.667 0.573 1.00 0.00 O ATOM 677 CB LEU A 42 3.781 5.685 -1.588 1.00 0.00 C ATOM 678 CG LEU A 42 3.174 4.381 -2.112 1.00 0.00 C ATOM 679 CD1 LEU A 42 3.030 3.353 -0.988 1.00 0.00 C ATOM 680 CD2 LEU A 42 1.845 4.642 -2.824 1.00 0.00 C ATOM 0 H LEU A 42 3.796 7.440 0.504 1.00 0.00 H new ATOM 0 HA LEU A 42 2.455 7.222 -2.153 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.457 6.079 -2.347 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.386 5.454 -0.711 1.00 0.00 H new ATOM 0 HG LEU A 42 3.857 3.958 -2.849 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.596 2.436 -1.387 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.011 3.137 -0.565 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.380 3.753 -0.210 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.435 3.699 -3.187 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.142 5.099 -2.127 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.009 5.314 -3.666 1.00 0.00 H new ATOM 692 N ASP A 43 0.393 6.508 -1.122 1.00 0.00 N ATOM 693 CA ASP A 43 -0.875 6.071 -0.561 1.00 0.00 C ATOM 694 C ASP A 43 -1.196 4.665 -1.072 1.00 0.00 C ATOM 695 O ASP A 43 -1.322 4.452 -2.277 1.00 0.00 O ATOM 696 CB ASP A 43 -2.014 7.000 -0.986 1.00 0.00 C ATOM 697 CG ASP A 43 -1.901 8.437 -0.473 1.00 0.00 C ATOM 698 OD1 ASP A 43 -1.655 8.589 0.743 1.00 0.00 O ATOM 699 OD2 ASP A 43 -2.064 9.352 -1.309 1.00 0.00 O ATOM 0 H ASP A 43 0.318 7.003 -2.010 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.786 6.083 0.525 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -2.059 7.021 -2.075 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -2.956 6.578 -0.637 1.00 0.00 H new ATOM 704 N LEU A 44 -1.320 3.742 -0.129 1.00 0.00 N ATOM 705 CA LEU A 44 -1.624 2.362 -0.468 1.00 0.00 C ATOM 706 C LEU A 44 -2.702 1.834 0.481 1.00 0.00 C ATOM 707 O LEU A 44 -2.541 1.888 1.699 1.00 0.00 O ATOM 708 CB LEU A 44 -0.348 1.519 -0.480 1.00 0.00 C ATOM 709 CG LEU A 44 -0.059 0.757 -1.775 1.00 0.00 C ATOM 710 CD1 LEU A 44 0.049 1.716 -2.962 1.00 0.00 C ATOM 711 CD2 LEU A 44 1.188 -0.118 -1.629 1.00 0.00 C ATOM 0 H LEU A 44 -1.215 3.923 0.869 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.029 2.298 -1.478 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.498 2.174 -0.271 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.404 0.799 0.337 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.898 0.091 -1.975 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.255 1.149 -3.870 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.889 2.259 -3.078 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.858 2.424 -2.785 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.371 -0.649 -2.563 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.047 0.510 -1.394 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.035 -0.839 -0.826 1.00 0.00 H new ATOM 723 N LEU A 45 -3.776 1.335 -0.113 1.00 0.00 N ATOM 724 CA LEU A 45 -4.879 0.798 0.664 1.00 0.00 C ATOM 725 C LEU A 45 -4.767 -0.727 0.715 1.00 0.00 C ATOM 726 O LEU A 45 -4.906 -1.398 -0.307 1.00 0.00 O ATOM 727 CB LEU A 45 -6.216 1.298 0.114 1.00 0.00 C ATOM 728 CG LEU A 45 -7.470 0.656 0.711 1.00 0.00 C ATOM 729 CD1 LEU A 45 -7.391 0.616 2.238 1.00 0.00 C ATOM 730 CD2 LEU A 45 -8.735 1.363 0.221 1.00 0.00 C ATOM 0 H LEU A 45 -3.905 1.291 -1.124 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.830 1.156 1.692 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.272 2.375 0.274 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.227 1.135 -0.964 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.523 -0.376 0.364 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.295 0.155 2.637 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.522 0.033 2.542 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.301 1.631 2.624 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -9.611 0.887 0.660 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -8.704 2.411 0.518 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.792 1.296 -0.865 1.00 0.00 H new ATOM 742 N VAL A 46 -4.516 -1.231 1.914 1.00 0.00 N ATOM 743 CA VAL A 46 -4.384 -2.664 2.111 1.00 0.00 C ATOM 744 C VAL A 46 -5.284 -3.101 3.268 1.00 0.00 C ATOM 745 O VAL A 46 -5.660 -2.286 4.109 1.00 0.00 O ATOM 746 CB VAL A 46 -2.913 -3.029 2.326 1.00 0.00 C ATOM 747 CG1 VAL A 46 -2.194 -3.220 0.989 1.00 0.00 C ATOM 748 CG2 VAL A 46 -2.207 -1.977 3.183 1.00 0.00 C ATOM 0 H VAL A 46 -4.400 -0.672 2.759 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.713 -3.204 1.223 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.878 -3.977 2.863 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.151 -3.479 1.171 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.674 -4.022 0.429 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.244 -2.295 0.414 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.163 -2.260 3.321 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.257 -1.009 2.685 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.696 -1.911 4.155 1.00 0.00 H new ATOM 758 N ALA A 47 -5.603 -4.387 3.275 1.00 0.00 N ATOM 759 CA ALA A 47 -6.452 -4.942 4.315 1.00 0.00 C ATOM 760 C ALA A 47 -5.756 -6.151 4.945 1.00 0.00 C ATOM 761 O ALA A 47 -5.443 -7.120 4.255 1.00 0.00 O ATOM 762 CB ALA A 47 -7.817 -5.299 3.724 1.00 0.00 C ATOM 0 H ALA A 47 -5.289 -5.061 2.577 1.00 0.00 H new ATOM 0 HA ALA A 47 -6.620 -4.209 5.104 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -8.454 -5.715 4.505 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -8.283 -4.402 3.316 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -7.689 -6.034 2.930 1.00 0.00 H new ATOM 768 N PHE A 48 -5.533 -6.053 6.247 1.00 0.00 N ATOM 769 CA PHE A 48 -4.880 -7.126 6.977 1.00 0.00 C ATOM 770 C PHE A 48 -5.902 -8.146 7.483 1.00 0.00 C ATOM 771 O PHE A 48 -6.856 -7.786 8.170 1.00 0.00 O ATOM 772 CB PHE A 48 -4.178 -6.487 8.177 1.00 0.00 C ATOM 773 CG PHE A 48 -3.144 -5.424 7.800 1.00 0.00 C ATOM 774 CD1 PHE A 48 -3.552 -4.175 7.448 1.00 0.00 C ATOM 775 CD2 PHE A 48 -1.819 -5.727 7.817 1.00 0.00 C ATOM 776 CE1 PHE A 48 -2.593 -3.188 7.098 1.00 0.00 C ATOM 777 CE2 PHE A 48 -0.860 -4.740 7.466 1.00 0.00 C ATOM 778 CZ PHE A 48 -1.267 -3.491 7.114 1.00 0.00 C ATOM 0 H PHE A 48 -5.793 -5.247 6.815 1.00 0.00 H new ATOM 0 HA PHE A 48 -4.179 -7.647 6.325 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -4.929 -6.035 8.826 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -3.686 -7.269 8.756 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -4.605 -3.934 7.435 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -1.495 -6.718 8.097 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -2.917 -2.196 6.819 1.00 0.00 H new ATOM 0 HE2 PHE A 48 0.193 -4.981 7.479 1.00 0.00 H new ATOM 0 HZ PHE A 48 -0.538 -2.740 6.847 1.00 0.00 H new ATOM 788 N GLU A 49 -5.666 -9.400 7.123 1.00 0.00 N ATOM 789 CA GLU A 49 -6.554 -10.475 7.532 1.00 0.00 C ATOM 790 C GLU A 49 -5.767 -11.564 8.263 1.00 0.00 C ATOM 791 O GLU A 49 -4.547 -11.472 8.393 1.00 0.00 O ATOM 792 CB GLU A 49 -7.304 -11.053 6.331 1.00 0.00 C ATOM 793 CG GLU A 49 -6.483 -12.148 5.647 1.00 0.00 C ATOM 794 CD GLU A 49 -7.081 -13.530 5.915 1.00 0.00 C ATOM 795 OE1 GLU A 49 -8.327 -13.606 5.984 1.00 0.00 O ATOM 796 OE2 GLU A 49 -6.278 -14.480 6.045 1.00 0.00 O ATOM 0 H GLU A 49 -4.873 -9.695 6.553 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.295 -10.067 8.219 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.261 -11.461 6.657 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -7.523 -10.258 5.618 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.449 -11.965 4.573 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -5.455 -12.116 6.009 1.00 0.00 H new ATOM 803 N GLU A 50 -6.497 -12.571 8.721 1.00 0.00 N ATOM 804 CA GLU A 50 -5.882 -13.676 9.436 1.00 0.00 C ATOM 805 C GLU A 50 -5.436 -13.226 10.828 1.00 0.00 C ATOM 806 O GLU A 50 -6.081 -12.382 11.448 1.00 0.00 O ATOM 807 CB GLU A 50 -4.708 -14.255 8.644 1.00 0.00 C ATOM 808 CG GLU A 50 -4.682 -15.782 8.739 1.00 0.00 C ATOM 809 CD GLU A 50 -3.932 -16.393 7.554 1.00 0.00 C ATOM 810 OE1 GLU A 50 -2.701 -16.184 7.492 1.00 0.00 O ATOM 811 OE2 GLU A 50 -4.607 -17.054 6.735 1.00 0.00 O ATOM 0 H GLU A 50 -7.508 -12.644 8.611 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.624 -14.466 9.552 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.785 -13.953 7.599 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.772 -13.847 9.025 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.204 -16.084 9.671 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.702 -16.166 8.765 1.00 0.00 H new ATOM 818 N GLY A 51 -4.336 -13.810 11.280 1.00 0.00 N ATOM 819 CA GLY A 51 -3.796 -13.479 12.588 1.00 0.00 C ATOM 820 C GLY A 51 -2.680 -12.438 12.473 1.00 0.00 C ATOM 821 O GLY A 51 -1.506 -12.760 12.644 1.00 0.00 O ATOM 0 H GLY A 51 -3.804 -14.510 10.764 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.591 -13.096 13.227 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.410 -14.380 13.065 1.00 0.00 H new ATOM 825 N ARG A 52 -3.088 -11.210 12.186 1.00 0.00 N ATOM 826 CA ARG A 52 -2.138 -10.120 12.046 1.00 0.00 C ATOM 827 C ARG A 52 -2.264 -9.152 13.225 1.00 0.00 C ATOM 828 O ARG A 52 -3.322 -9.058 13.845 1.00 0.00 O ATOM 829 CB ARG A 52 -2.365 -9.355 10.741 1.00 0.00 C ATOM 830 CG ARG A 52 -3.769 -9.612 10.192 1.00 0.00 C ATOM 831 CD ARG A 52 -4.833 -8.974 11.087 1.00 0.00 C ATOM 832 NE ARG A 52 -4.861 -7.509 10.875 1.00 0.00 N ATOM 833 CZ ARG A 52 -5.954 -6.749 11.022 1.00 0.00 C ATOM 834 NH1 ARG A 52 -7.117 -7.311 11.381 1.00 0.00 N ATOM 835 NH2 ARG A 52 -5.886 -5.428 10.809 1.00 0.00 N ATOM 0 H ARG A 52 -4.063 -10.946 12.047 1.00 0.00 H new ATOM 0 HA ARG A 52 -1.137 -10.552 12.031 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.228 -8.287 10.913 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.621 -9.658 10.004 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.848 -9.208 9.183 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -3.945 -10.685 10.121 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -5.811 -9.401 10.864 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -4.620 -9.194 12.133 1.00 0.00 H new ATOM 0 HE ARG A 52 -3.993 -7.049 10.600 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -7.169 -8.317 11.542 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -7.950 -6.733 11.493 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -5.001 -5.001 10.535 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -6.719 -4.850 10.921 1.00 0.00 H new ATOM 849 N THR A 53 -1.169 -8.458 13.499 1.00 0.00 N ATOM 850 CA THR A 53 -1.144 -7.501 14.592 1.00 0.00 C ATOM 851 C THR A 53 -0.481 -6.197 14.144 1.00 0.00 C ATOM 852 O THR A 53 0.036 -6.109 13.031 1.00 0.00 O ATOM 853 CB THR A 53 -0.445 -8.161 15.782 1.00 0.00 C ATOM 854 OG1 THR A 53 0.819 -8.563 15.262 1.00 0.00 O ATOM 855 CG2 THR A 53 -1.111 -9.473 16.199 1.00 0.00 C ATOM 0 H THR A 53 -0.293 -8.539 12.983 1.00 0.00 H new ATOM 0 HA THR A 53 -2.153 -7.226 14.901 1.00 0.00 H new ATOM 0 HB THR A 53 -0.440 -7.473 16.627 1.00 0.00 H new ATOM 0 HG1 THR A 53 1.340 -8.999 15.968 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.575 -9.899 17.047 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.146 -9.282 16.482 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.087 -10.174 15.365 1.00 0.00 H new ATOM 863 N LEU A 54 -0.518 -5.216 15.034 1.00 0.00 N ATOM 864 CA LEU A 54 0.073 -3.920 14.744 1.00 0.00 C ATOM 865 C LEU A 54 1.568 -4.096 14.471 1.00 0.00 C ATOM 866 O LEU A 54 2.140 -3.385 13.646 1.00 0.00 O ATOM 867 CB LEU A 54 -0.234 -2.928 15.867 1.00 0.00 C ATOM 868 CG LEU A 54 -1.027 -1.683 15.464 1.00 0.00 C ATOM 869 CD1 LEU A 54 -0.213 -0.796 14.520 1.00 0.00 C ATOM 870 CD2 LEU A 54 -2.382 -2.066 14.865 1.00 0.00 C ATOM 0 H LEU A 54 -0.948 -5.292 15.956 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.368 -3.493 13.843 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.789 -3.451 16.646 1.00 0.00 H new ATOM 0 HB3 LEU A 54 0.709 -2.607 16.309 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.226 -1.099 16.363 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.800 0.082 14.249 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.704 -0.480 15.018 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.038 -1.357 13.620 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.925 -1.163 14.587 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.227 -2.683 13.980 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.960 -2.625 15.601 1.00 0.00 H new ATOM 882 N LEU A 55 2.159 -5.048 15.179 1.00 0.00 N ATOM 883 CA LEU A 55 3.576 -5.326 15.023 1.00 0.00 C ATOM 884 C LEU A 55 3.877 -5.611 13.550 1.00 0.00 C ATOM 885 O LEU A 55 4.884 -5.149 13.018 1.00 0.00 O ATOM 886 CB LEU A 55 4.009 -6.449 15.968 1.00 0.00 C ATOM 887 CG LEU A 55 4.962 -6.047 17.095 1.00 0.00 C ATOM 888 CD1 LEU A 55 4.416 -6.481 18.457 1.00 0.00 C ATOM 889 CD2 LEU A 55 6.370 -6.592 16.843 1.00 0.00 C ATOM 0 H LEU A 55 1.682 -5.636 15.862 1.00 0.00 H new ATOM 0 HA LEU A 55 4.168 -4.456 15.307 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.116 -6.887 16.413 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.486 -7.231 15.377 1.00 0.00 H new ATOM 0 HG LEU A 55 5.034 -4.959 17.109 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.113 -6.183 19.240 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.451 -6.006 18.630 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.295 -7.564 18.472 1.00 0.00 H new ATOM 0 HD21 LEU A 55 7.028 -6.292 17.659 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.334 -7.680 16.787 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.752 -6.193 15.903 1.00 0.00 H new ATOM 901 N ASP A 56 2.984 -6.372 12.934 1.00 0.00 N ATOM 902 CA ASP A 56 3.140 -6.725 11.533 1.00 0.00 C ATOM 903 C ASP A 56 2.897 -5.485 10.669 1.00 0.00 C ATOM 904 O ASP A 56 3.566 -5.289 9.656 1.00 0.00 O ATOM 905 CB ASP A 56 2.130 -7.796 11.119 1.00 0.00 C ATOM 906 CG ASP A 56 2.593 -9.239 11.333 1.00 0.00 C ATOM 907 OD1 ASP A 56 3.642 -9.406 11.991 1.00 0.00 O ATOM 908 OD2 ASP A 56 1.886 -10.141 10.835 1.00 0.00 O ATOM 0 H ASP A 56 2.150 -6.754 13.380 1.00 0.00 H new ATOM 0 HA ASP A 56 4.150 -7.109 11.392 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.208 -7.640 11.678 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.890 -7.660 10.064 1.00 0.00 H new ATOM 913 N HIS A 57 1.937 -4.681 11.102 1.00 0.00 N ATOM 914 CA HIS A 57 1.596 -3.467 10.381 1.00 0.00 C ATOM 915 C HIS A 57 2.826 -2.561 10.291 1.00 0.00 C ATOM 916 O HIS A 57 3.197 -2.117 9.206 1.00 0.00 O ATOM 917 CB HIS A 57 0.394 -2.772 11.023 1.00 0.00 C ATOM 918 CG HIS A 57 -0.931 -3.431 10.719 1.00 0.00 C ATOM 919 ND1 HIS A 57 -2.065 -2.713 10.382 1.00 0.00 N ATOM 920 CD2 HIS A 57 -1.289 -4.747 10.703 1.00 0.00 C ATOM 921 CE1 HIS A 57 -3.055 -3.568 10.176 1.00 0.00 C ATOM 922 NE2 HIS A 57 -2.573 -4.828 10.376 1.00 0.00 N ATOM 0 H HIS A 57 1.385 -4.847 11.943 1.00 0.00 H new ATOM 0 HA HIS A 57 1.296 -3.717 9.363 1.00 0.00 H new ATOM 0 HB2 HIS A 57 0.536 -2.747 12.103 1.00 0.00 H new ATOM 0 HB3 HIS A 57 0.360 -1.737 10.682 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -2.128 -1.698 10.305 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -0.638 -5.581 10.920 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -4.067 -3.312 9.898 1.00 0.00 H new ATOM 930 N ALA A 58 3.425 -2.314 11.447 1.00 0.00 N ATOM 931 CA ALA A 58 4.605 -1.470 11.514 1.00 0.00 C ATOM 932 C ALA A 58 5.724 -2.098 10.680 1.00 0.00 C ATOM 933 O ALA A 58 6.476 -1.392 10.011 1.00 0.00 O ATOM 934 CB ALA A 58 5.009 -1.270 12.976 1.00 0.00 C ATOM 0 H ALA A 58 3.114 -2.684 12.345 1.00 0.00 H new ATOM 0 HA ALA A 58 4.396 -0.485 11.097 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.895 -0.637 13.025 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.192 -0.794 13.517 1.00 0.00 H new ATOM 0 HB3 ALA A 58 5.229 -2.237 13.428 1.00 0.00 H new ATOM 940 N ARG A 59 5.799 -3.419 10.749 1.00 0.00 N ATOM 941 CA ARG A 59 6.813 -4.151 10.009 1.00 0.00 C ATOM 942 C ARG A 59 6.524 -4.087 8.508 1.00 0.00 C ATOM 943 O ARG A 59 7.447 -4.053 7.695 1.00 0.00 O ATOM 944 CB ARG A 59 6.867 -5.615 10.449 1.00 0.00 C ATOM 945 CG ARG A 59 7.415 -5.740 11.872 1.00 0.00 C ATOM 946 CD ARG A 59 8.931 -5.948 11.860 1.00 0.00 C ATOM 947 NE ARG A 59 9.546 -5.261 13.018 1.00 0.00 N ATOM 948 CZ ARG A 59 9.526 -5.738 14.270 1.00 0.00 C ATOM 949 NH1 ARG A 59 8.923 -6.905 14.534 1.00 0.00 N ATOM 950 NH2 ARG A 59 10.110 -5.047 15.259 1.00 0.00 N ATOM 0 H ARG A 59 5.174 -4.002 11.306 1.00 0.00 H new ATOM 0 HA ARG A 59 7.776 -3.685 10.217 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.869 -6.050 10.400 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.496 -6.182 9.762 1.00 0.00 H new ATOM 0 HG2 ARG A 59 7.172 -4.841 12.439 1.00 0.00 H new ATOM 0 HG3 ARG A 59 6.934 -6.576 12.379 1.00 0.00 H new ATOM 0 HD2 ARG A 59 9.160 -7.013 11.895 1.00 0.00 H new ATOM 0 HD3 ARG A 59 9.352 -5.561 10.932 1.00 0.00 H new ATOM 0 HE ARG A 59 10.014 -4.370 12.853 1.00 0.00 H new ATOM 0 HH11 ARG A 59 8.479 -7.431 13.782 1.00 0.00 H new ATOM 0 HH12 ARG A 59 8.908 -7.267 15.487 1.00 0.00 H new ATOM 0 HH21 ARG A 59 10.569 -4.159 15.058 1.00 0.00 H new ATOM 0 HH22 ARG A 59 10.095 -5.410 16.212 1.00 0.00 H new ATOM 964 N LEU A 60 5.239 -4.073 8.185 1.00 0.00 N ATOM 965 CA LEU A 60 4.818 -4.014 6.795 1.00 0.00 C ATOM 966 C LEU A 60 5.264 -2.683 6.188 1.00 0.00 C ATOM 967 O LEU A 60 5.842 -2.654 5.102 1.00 0.00 O ATOM 968 CB LEU A 60 3.314 -4.269 6.681 1.00 0.00 C ATOM 969 CG LEU A 60 2.863 -5.096 5.474 1.00 0.00 C ATOM 970 CD1 LEU A 60 1.515 -4.604 4.945 1.00 0.00 C ATOM 971 CD2 LEU A 60 3.938 -5.105 4.385 1.00 0.00 C ATOM 0 H LEU A 60 4.476 -4.101 8.861 1.00 0.00 H new ATOM 0 HA LEU A 60 5.297 -4.804 6.217 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.982 -4.775 7.588 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.804 -3.306 6.648 1.00 0.00 H new ATOM 0 HG LEU A 60 2.724 -6.127 5.798 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.218 -5.208 4.088 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.763 -4.691 5.729 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.602 -3.561 4.641 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.593 -5.699 3.539 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.132 -4.084 4.057 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.855 -5.539 4.783 1.00 0.00 H new ATOM 983 N LYS A 61 4.978 -1.612 6.914 1.00 0.00 N ATOM 984 CA LYS A 61 5.343 -0.281 6.460 1.00 0.00 C ATOM 985 C LYS A 61 6.866 -0.184 6.349 1.00 0.00 C ATOM 986 O LYS A 61 7.389 0.322 5.358 1.00 0.00 O ATOM 987 CB LYS A 61 4.723 0.783 7.368 1.00 0.00 C ATOM 988 CG LYS A 61 5.141 2.189 6.930 1.00 0.00 C ATOM 989 CD LYS A 61 6.593 2.475 7.321 1.00 0.00 C ATOM 990 CE LYS A 61 6.781 3.948 7.688 1.00 0.00 C ATOM 991 NZ LYS A 61 7.829 4.094 8.723 1.00 0.00 N ATOM 0 H LYS A 61 4.498 -1.639 7.813 1.00 0.00 H new ATOM 0 HA LYS A 61 4.939 -0.093 5.465 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.637 0.699 7.344 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.033 0.612 8.399 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.025 2.287 5.851 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.484 2.928 7.390 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.877 1.847 8.166 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.254 2.215 6.494 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.056 4.518 6.800 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.841 4.361 8.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.795 5.055 9.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.667 3.401 9.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.763 3.928 8.297 1.00 0.00 H new ATOM 1005 N LEU A 62 7.535 -0.676 7.382 1.00 0.00 N ATOM 1006 CA LEU A 62 8.987 -0.651 7.413 1.00 0.00 C ATOM 1007 C LEU A 62 9.533 -1.596 6.340 1.00 0.00 C ATOM 1008 O LEU A 62 10.599 -1.352 5.777 1.00 0.00 O ATOM 1009 CB LEU A 62 9.498 -0.960 8.822 1.00 0.00 C ATOM 1010 CG LEU A 62 10.010 -2.383 9.053 1.00 0.00 C ATOM 1011 CD1 LEU A 62 11.312 -2.628 8.287 1.00 0.00 C ATOM 1012 CD2 LEU A 62 10.159 -2.677 10.547 1.00 0.00 C ATOM 0 H LEU A 62 7.098 -1.094 8.203 1.00 0.00 H new ATOM 0 HA LEU A 62 9.356 0.347 7.176 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.303 -0.263 9.056 1.00 0.00 H new ATOM 0 HB3 LEU A 62 8.692 -0.766 9.530 1.00 0.00 H new ATOM 0 HG LEU A 62 9.270 -3.080 8.661 1.00 0.00 H new ATOM 0 HD11 LEU A 62 11.655 -3.647 8.468 1.00 0.00 H new ATOM 0 HD12 LEU A 62 11.138 -2.488 7.220 1.00 0.00 H new ATOM 0 HD13 LEU A 62 12.072 -1.924 8.626 1.00 0.00 H new ATOM 0 HD21 LEU A 62 10.524 -3.695 10.683 1.00 0.00 H new ATOM 0 HD22 LEU A 62 10.868 -1.975 10.987 1.00 0.00 H new ATOM 0 HD23 LEU A 62 9.191 -2.570 11.037 1.00 0.00 H new ATOM 1024 N ALA A 63 8.777 -2.655 6.090 1.00 0.00 N ATOM 1025 CA ALA A 63 9.171 -3.637 5.095 1.00 0.00 C ATOM 1026 C ALA A 63 9.020 -3.031 3.698 1.00 0.00 C ATOM 1027 O ALA A 63 9.913 -3.161 2.862 1.00 0.00 O ATOM 1028 CB ALA A 63 8.336 -4.907 5.272 1.00 0.00 C ATOM 0 H ALA A 63 7.894 -2.854 6.560 1.00 0.00 H new ATOM 0 HA ALA A 63 10.217 -3.914 5.223 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.632 -5.644 4.525 1.00 0.00 H new ATOM 0 HB2 ALA A 63 8.501 -5.315 6.269 1.00 0.00 H new ATOM 0 HB3 ALA A 63 7.280 -4.668 5.148 1.00 0.00 H new ATOM 1034 N LEU A 64 7.884 -2.381 3.489 1.00 0.00 N ATOM 1035 CA LEU A 64 7.606 -1.755 2.208 1.00 0.00 C ATOM 1036 C LEU A 64 8.675 -0.700 1.918 1.00 0.00 C ATOM 1037 O LEU A 64 9.157 -0.592 0.791 1.00 0.00 O ATOM 1038 CB LEU A 64 6.177 -1.207 2.179 1.00 0.00 C ATOM 1039 CG LEU A 64 5.059 -2.251 2.177 1.00 0.00 C ATOM 1040 CD1 LEU A 64 3.974 -1.890 1.161 1.00 0.00 C ATOM 1041 CD2 LEU A 64 5.619 -3.655 1.943 1.00 0.00 C ATOM 0 H LEU A 64 7.146 -2.275 4.185 1.00 0.00 H new ATOM 0 HA LEU A 64 7.658 -2.490 1.405 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.040 -0.558 3.044 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.066 -0.583 1.292 1.00 0.00 H new ATOM 0 HG LEU A 64 4.591 -2.252 3.162 1.00 0.00 H new ATOM 0 HD11 LEU A 64 3.191 -2.648 1.180 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.546 -0.920 1.415 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.411 -1.844 0.163 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.803 -4.377 1.946 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.129 -3.688 0.980 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.325 -3.902 2.736 1.00 0.00 H new ATOM 1053 N GLU A 65 9.015 0.053 2.954 1.00 0.00 N ATOM 1054 CA GLU A 65 10.018 1.096 2.825 1.00 0.00 C ATOM 1055 C GLU A 65 11.396 0.479 2.576 1.00 0.00 C ATOM 1056 O GLU A 65 12.262 1.109 1.971 1.00 0.00 O ATOM 1057 CB GLU A 65 10.036 1.997 4.061 1.00 0.00 C ATOM 1058 CG GLU A 65 8.780 2.869 4.122 1.00 0.00 C ATOM 1059 CD GLU A 65 8.858 3.862 5.283 1.00 0.00 C ATOM 1060 OE1 GLU A 65 9.402 3.463 6.336 1.00 0.00 O ATOM 1061 OE2 GLU A 65 8.371 4.997 5.093 1.00 0.00 O ATOM 0 H GLU A 65 8.613 -0.039 3.887 1.00 0.00 H new ATOM 0 HA GLU A 65 9.759 1.717 1.968 1.00 0.00 H new ATOM 0 HB2 GLU A 65 10.102 1.385 4.961 1.00 0.00 H new ATOM 0 HB3 GLU A 65 10.923 2.631 4.041 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.663 3.410 3.183 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.899 2.237 4.238 1.00 0.00 H new ATOM 1068 N GLY A 66 11.556 -0.746 3.056 1.00 0.00 N ATOM 1069 CA GLY A 66 12.814 -1.455 2.894 1.00 0.00 C ATOM 1070 C GLY A 66 13.014 -1.890 1.441 1.00 0.00 C ATOM 1071 O GLY A 66 14.073 -1.655 0.859 1.00 0.00 O ATOM 0 H GLY A 66 10.835 -1.265 3.557 1.00 0.00 H new ATOM 0 HA2 GLY A 66 13.640 -0.814 3.202 1.00 0.00 H new ATOM 0 HA3 GLY A 66 12.829 -2.329 3.545 1.00 0.00 H new ATOM 1075 N LEU A 67 11.981 -2.515 0.896 1.00 0.00 N ATOM 1076 CA LEU A 67 12.031 -2.985 -0.478 1.00 0.00 C ATOM 1077 C LEU A 67 12.169 -1.786 -1.418 1.00 0.00 C ATOM 1078 O LEU A 67 12.988 -1.802 -2.335 1.00 0.00 O ATOM 1079 CB LEU A 67 10.822 -3.871 -0.786 1.00 0.00 C ATOM 1080 CG LEU A 67 11.033 -5.377 -0.611 1.00 0.00 C ATOM 1081 CD1 LEU A 67 9.700 -6.095 -0.389 1.00 0.00 C ATOM 1082 CD2 LEU A 67 11.810 -5.963 -1.792 1.00 0.00 C ATOM 0 H LEU A 67 11.104 -2.707 1.381 1.00 0.00 H new ATOM 0 HA LEU A 67 12.907 -3.615 -0.633 1.00 0.00 H new ATOM 0 HB2 LEU A 67 9.997 -3.563 -0.144 1.00 0.00 H new ATOM 0 HB3 LEU A 67 10.512 -3.684 -1.814 1.00 0.00 H new ATOM 0 HG LEU A 67 11.637 -5.536 0.282 1.00 0.00 H new ATOM 0 HD11 LEU A 67 9.878 -7.163 -0.268 1.00 0.00 H new ATOM 0 HD12 LEU A 67 9.220 -5.703 0.508 1.00 0.00 H new ATOM 0 HD13 LEU A 67 9.051 -5.931 -1.249 1.00 0.00 H new ATOM 0 HD21 LEU A 67 11.946 -7.034 -1.642 1.00 0.00 H new ATOM 0 HD22 LEU A 67 11.254 -5.793 -2.714 1.00 0.00 H new ATOM 0 HD23 LEU A 67 12.784 -5.480 -1.862 1.00 0.00 H new ATOM 1094 N LEU A 68 11.354 -0.774 -1.157 1.00 0.00 N ATOM 1095 CA LEU A 68 11.375 0.432 -1.969 1.00 0.00 C ATOM 1096 C LEU A 68 12.461 1.374 -1.446 1.00 0.00 C ATOM 1097 O LEU A 68 12.728 2.413 -2.048 1.00 0.00 O ATOM 1098 CB LEU A 68 9.984 1.066 -2.021 1.00 0.00 C ATOM 1099 CG LEU A 68 8.868 0.188 -2.592 1.00 0.00 C ATOM 1100 CD1 LEU A 68 7.495 0.671 -2.119 1.00 0.00 C ATOM 1101 CD2 LEU A 68 8.955 0.113 -4.117 1.00 0.00 C ATOM 0 H LEU A 68 10.675 -0.764 -0.396 1.00 0.00 H new ATOM 0 HA LEU A 68 11.630 0.193 -3.001 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.704 1.364 -1.011 1.00 0.00 H new ATOM 0 HB3 LEU A 68 10.044 1.977 -2.617 1.00 0.00 H new ATOM 0 HG LEU A 68 9.002 -0.825 -2.212 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.719 0.030 -2.539 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.450 0.630 -1.031 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.336 1.697 -2.450 1.00 0.00 H new ATOM 0 HD21 LEU A 68 8.151 -0.517 -4.497 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.860 1.115 -4.537 1.00 0.00 H new ATOM 0 HD23 LEU A 68 9.916 -0.312 -4.406 1.00 0.00 H new ATOM 1113 N GLY A 69 13.058 0.978 -0.332 1.00 0.00 N ATOM 1114 CA GLY A 69 14.109 1.774 0.279 1.00 0.00 C ATOM 1115 C GLY A 69 13.721 3.254 0.322 1.00 0.00 C ATOM 1116 O GLY A 69 14.586 4.124 0.399 1.00 0.00 O ATOM 0 H GLY A 69 12.834 0.115 0.164 1.00 0.00 H new ATOM 0 HA2 GLY A 69 14.301 1.415 1.290 1.00 0.00 H new ATOM 0 HA3 GLY A 69 15.035 1.653 -0.283 1.00 0.00 H new ATOM 1120 N VAL A 70 12.418 3.493 0.270 1.00 0.00 N ATOM 1121 CA VAL A 70 11.905 4.852 0.302 1.00 0.00 C ATOM 1122 C VAL A 70 10.733 4.927 1.282 1.00 0.00 C ATOM 1123 O VAL A 70 10.418 3.946 1.955 1.00 0.00 O ATOM 1124 CB VAL A 70 11.532 5.303 -1.112 1.00 0.00 C ATOM 1125 CG1 VAL A 70 12.721 5.162 -2.065 1.00 0.00 C ATOM 1126 CG2 VAL A 70 10.318 4.531 -1.631 1.00 0.00 C ATOM 0 H VAL A 70 11.703 2.768 0.206 1.00 0.00 H new ATOM 0 HA VAL A 70 12.671 5.541 0.658 1.00 0.00 H new ATOM 0 HB VAL A 70 11.263 6.358 -1.067 1.00 0.00 H new ATOM 0 HG11 VAL A 70 12.428 5.489 -3.063 1.00 0.00 H new ATOM 0 HG12 VAL A 70 13.547 5.777 -1.709 1.00 0.00 H new ATOM 0 HG13 VAL A 70 13.035 4.119 -2.103 1.00 0.00 H new ATOM 0 HG21 VAL A 70 10.074 4.871 -2.638 1.00 0.00 H new ATOM 0 HG22 VAL A 70 10.547 3.465 -1.653 1.00 0.00 H new ATOM 0 HG23 VAL A 70 9.467 4.706 -0.973 1.00 0.00 H new ATOM 1136 N ARG A 71 10.120 6.100 1.333 1.00 0.00 N ATOM 1137 CA ARG A 71 8.990 6.316 2.220 1.00 0.00 C ATOM 1138 C ARG A 71 7.713 5.740 1.604 1.00 0.00 C ATOM 1139 O ARG A 71 7.404 6.007 0.444 1.00 0.00 O ATOM 1140 CB ARG A 71 8.785 7.806 2.499 1.00 0.00 C ATOM 1141 CG ARG A 71 9.956 8.380 3.301 1.00 0.00 C ATOM 1142 CD ARG A 71 9.548 9.666 4.023 1.00 0.00 C ATOM 1143 NE ARG A 71 10.745 10.335 4.580 1.00 0.00 N ATOM 1144 CZ ARG A 71 10.733 11.553 5.137 1.00 0.00 C ATOM 1145 NH1 ARG A 71 9.587 12.243 5.216 1.00 0.00 N ATOM 1146 NH2 ARG A 71 11.868 12.081 5.617 1.00 0.00 N ATOM 0 H ARG A 71 10.385 6.911 0.774 1.00 0.00 H new ATOM 0 HA ARG A 71 9.206 5.808 3.160 1.00 0.00 H new ATOM 0 HB2 ARG A 71 8.685 8.346 1.557 1.00 0.00 H new ATOM 0 HB3 ARG A 71 7.856 7.952 3.050 1.00 0.00 H new ATOM 0 HG2 ARG A 71 10.299 7.644 4.028 1.00 0.00 H new ATOM 0 HG3 ARG A 71 10.793 8.583 2.634 1.00 0.00 H new ATOM 0 HD2 ARG A 71 9.036 10.335 3.331 1.00 0.00 H new ATOM 0 HD3 ARG A 71 8.844 9.436 4.823 1.00 0.00 H new ATOM 0 HE ARG A 71 11.634 9.838 4.537 1.00 0.00 H new ATOM 0 HH11 ARG A 71 8.723 11.841 4.852 1.00 0.00 H new ATOM 0 HH12 ARG A 71 9.578 13.171 5.640 1.00 0.00 H new ATOM 0 HH21 ARG A 71 12.740 11.555 5.558 1.00 0.00 H new ATOM 0 HH22 ARG A 71 11.859 13.009 6.041 1.00 0.00 H new ATOM 1160 N VAL A 72 7.006 4.959 2.408 1.00 0.00 N ATOM 1161 CA VAL A 72 5.770 4.343 1.956 1.00 0.00 C ATOM 1162 C VAL A 72 4.690 4.537 3.022 1.00 0.00 C ATOM 1163 O VAL A 72 4.950 4.372 4.212 1.00 0.00 O ATOM 1164 CB VAL A 72 6.014 2.872 1.613 1.00 0.00 C ATOM 1165 CG1 VAL A 72 4.701 2.088 1.598 1.00 0.00 C ATOM 1166 CG2 VAL A 72 6.751 2.735 0.279 1.00 0.00 C ATOM 0 H VAL A 72 7.266 4.739 3.370 1.00 0.00 H new ATOM 0 HA VAL A 72 5.416 4.821 1.043 1.00 0.00 H new ATOM 0 HB VAL A 72 6.649 2.447 2.391 1.00 0.00 H new ATOM 0 HG11 VAL A 72 4.902 1.046 1.352 1.00 0.00 H new ATOM 0 HG12 VAL A 72 4.232 2.145 2.580 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.031 2.514 0.851 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.912 1.680 0.059 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.154 3.184 -0.514 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.713 3.243 0.341 1.00 0.00 H new ATOM 1176 N ASP A 73 3.499 4.885 2.555 1.00 0.00 N ATOM 1177 CA ASP A 73 2.378 5.104 3.453 1.00 0.00 C ATOM 1178 C ASP A 73 1.302 4.050 3.184 1.00 0.00 C ATOM 1179 O ASP A 73 0.667 4.061 2.131 1.00 0.00 O ATOM 1180 CB ASP A 73 1.755 6.483 3.230 1.00 0.00 C ATOM 1181 CG ASP A 73 1.553 7.314 4.498 1.00 0.00 C ATOM 1182 OD1 ASP A 73 1.824 6.763 5.587 1.00 0.00 O ATOM 1183 OD2 ASP A 73 1.132 8.482 4.351 1.00 0.00 O ATOM 0 H ASP A 73 3.287 5.021 1.567 1.00 0.00 H new ATOM 0 HA ASP A 73 2.747 5.036 4.476 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.388 7.044 2.543 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.790 6.354 2.741 1.00 0.00 H new ATOM 1188 N ILE A 74 1.131 3.164 4.154 1.00 0.00 N ATOM 1189 CA ILE A 74 0.143 2.105 4.036 1.00 0.00 C ATOM 1190 C ILE A 74 -1.136 2.523 4.763 1.00 0.00 C ATOM 1191 O ILE A 74 -1.077 3.179 5.803 1.00 0.00 O ATOM 1192 CB ILE A 74 0.722 0.776 4.524 1.00 0.00 C ATOM 1193 CG1 ILE A 74 2.000 0.421 3.761 1.00 0.00 C ATOM 1194 CG2 ILE A 74 -0.323 -0.340 4.442 1.00 0.00 C ATOM 1195 CD1 ILE A 74 2.493 -0.978 4.138 1.00 0.00 C ATOM 0 H ILE A 74 1.660 3.158 5.026 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.122 1.946 2.991 1.00 0.00 H new ATOM 0 HB ILE A 74 0.994 0.887 5.574 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.812 0.467 2.688 1.00 0.00 H new ATOM 0 HG13 ILE A 74 2.775 1.155 3.981 1.00 0.00 H new ATOM 0 HG21 ILE A 74 0.114 -1.274 4.795 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.180 -0.082 5.064 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.648 -0.459 3.408 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.402 -1.205 3.582 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.703 -1.014 5.207 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.725 -1.712 3.894 1.00 0.00 H new ATOM 1207 N VAL A 75 -2.262 2.127 4.189 1.00 0.00 N ATOM 1208 CA VAL A 75 -3.554 2.453 4.769 1.00 0.00 C ATOM 1209 C VAL A 75 -4.356 1.166 4.972 1.00 0.00 C ATOM 1210 O VAL A 75 -4.264 0.240 4.168 1.00 0.00 O ATOM 1211 CB VAL A 75 -4.278 3.477 3.894 1.00 0.00 C ATOM 1212 CG1 VAL A 75 -5.774 3.509 4.212 1.00 0.00 C ATOM 1213 CG2 VAL A 75 -3.655 4.866 4.045 1.00 0.00 C ATOM 0 H VAL A 75 -2.307 1.583 3.327 1.00 0.00 H new ATOM 0 HA VAL A 75 -3.427 2.915 5.748 1.00 0.00 H new ATOM 0 HB VAL A 75 -4.163 3.170 2.854 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.265 4.245 3.576 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -6.206 2.525 4.029 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.918 3.779 5.258 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -4.189 5.575 3.412 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -3.724 5.185 5.085 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.608 4.829 3.746 1.00 0.00 H new ATOM 1223 N SER A 76 -5.124 1.149 6.052 1.00 0.00 N ATOM 1224 CA SER A 76 -5.941 -0.009 6.370 1.00 0.00 C ATOM 1225 C SER A 76 -7.421 0.321 6.161 1.00 0.00 C ATOM 1226 O SER A 76 -7.901 1.353 6.625 1.00 0.00 O ATOM 1227 CB SER A 76 -5.699 -0.476 7.807 1.00 0.00 C ATOM 1228 OG SER A 76 -5.849 0.586 8.746 1.00 0.00 O ATOM 0 H SER A 76 -5.197 1.919 6.717 1.00 0.00 H new ATOM 0 HA SER A 76 -5.658 -0.821 5.700 1.00 0.00 H new ATOM 0 HB2 SER A 76 -6.397 -1.277 8.051 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.695 -0.893 7.889 1.00 0.00 H new ATOM 0 HG SER A 76 -5.688 0.247 9.651 1.00 0.00 H new ATOM 1234 N GLU A 77 -8.101 -0.576 5.463 1.00 0.00 N ATOM 1235 CA GLU A 77 -9.516 -0.393 5.186 1.00 0.00 C ATOM 1236 C GLU A 77 -10.264 -0.024 6.469 1.00 0.00 C ATOM 1237 O GLU A 77 -11.076 0.899 6.475 1.00 0.00 O ATOM 1238 CB GLU A 77 -10.115 -1.645 4.543 1.00 0.00 C ATOM 1239 CG GLU A 77 -9.760 -1.720 3.056 1.00 0.00 C ATOM 1240 CD GLU A 77 -10.815 -2.513 2.281 1.00 0.00 C ATOM 1241 OE1 GLU A 77 -11.001 -3.700 2.627 1.00 0.00 O ATOM 1242 OE2 GLU A 77 -11.411 -1.914 1.359 1.00 0.00 O ATOM 0 H GLU A 77 -7.699 -1.432 5.081 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.625 0.427 4.476 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.745 -2.534 5.054 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -11.198 -1.637 4.662 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.682 -0.713 2.646 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.784 -2.190 2.934 1.00 0.00 H new ATOM 1249 N ARG A 78 -9.963 -0.765 7.526 1.00 0.00 N ATOM 1250 CA ARG A 78 -10.596 -0.528 8.811 1.00 0.00 C ATOM 1251 C ARG A 78 -10.301 0.894 9.294 1.00 0.00 C ATOM 1252 O ARG A 78 -11.210 1.615 9.704 1.00 0.00 O ATOM 1253 CB ARG A 78 -10.105 -1.527 9.861 1.00 0.00 C ATOM 1254 CG ARG A 78 -11.275 -2.299 10.474 1.00 0.00 C ATOM 1255 CD ARG A 78 -11.912 -1.509 11.619 1.00 0.00 C ATOM 1256 NE ARG A 78 -13.339 -1.251 11.324 1.00 0.00 N ATOM 1257 CZ ARG A 78 -14.182 -0.639 12.167 1.00 0.00 C ATOM 1258 NH1 ARG A 78 -13.746 -0.218 13.362 1.00 0.00 N ATOM 1259 NH2 ARG A 78 -15.460 -0.447 11.814 1.00 0.00 N ATOM 0 H ARG A 78 -9.289 -1.530 7.518 1.00 0.00 H new ATOM 0 HA ARG A 78 -11.670 -0.656 8.679 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -9.404 -2.225 9.404 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -9.563 -0.999 10.645 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -12.023 -2.502 9.707 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -10.926 -3.263 10.843 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -11.820 -2.066 12.551 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -11.385 -0.565 11.758 1.00 0.00 H new ATOM 0 HE ARG A 78 -13.704 -1.558 10.422 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -12.773 -0.363 13.630 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -14.387 0.248 14.004 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -15.791 -0.767 10.904 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -16.102 0.019 12.455 1.00 0.00 H new ATOM 1273 N GLY A 79 -9.028 1.255 9.229 1.00 0.00 N ATOM 1274 CA GLY A 79 -8.602 2.577 9.654 1.00 0.00 C ATOM 1275 C GLY A 79 -9.080 3.649 8.673 1.00 0.00 C ATOM 1276 O GLY A 79 -8.891 4.841 8.909 1.00 0.00 O ATOM 0 H GLY A 79 -8.277 0.654 8.888 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -8.996 2.788 10.648 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.515 2.606 9.729 1.00 0.00 H new ATOM 1280 N LEU A 80 -9.691 3.186 7.592 1.00 0.00 N ATOM 1281 CA LEU A 80 -10.198 4.090 6.574 1.00 0.00 C ATOM 1282 C LEU A 80 -11.626 4.506 6.932 1.00 0.00 C ATOM 1283 O LEU A 80 -12.162 4.081 7.954 1.00 0.00 O ATOM 1284 CB LEU A 80 -10.071 3.460 5.186 1.00 0.00 C ATOM 1285 CG LEU A 80 -8.979 4.038 4.284 1.00 0.00 C ATOM 1286 CD1 LEU A 80 -8.921 3.295 2.947 1.00 0.00 C ATOM 1287 CD2 LEU A 80 -9.166 5.545 4.094 1.00 0.00 C ATOM 0 H LEU A 80 -9.846 2.196 7.399 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.599 5.000 6.541 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -9.886 2.393 5.309 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -11.028 3.561 4.674 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.017 3.892 4.776 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -8.136 3.726 2.325 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -8.705 2.242 3.125 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -9.880 3.388 2.437 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -8.377 5.931 3.449 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -10.136 5.736 3.635 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -9.119 6.042 5.063 1.00 0.00 H new ATOM 1299 N ALA A 81 -12.202 5.332 6.071 1.00 0.00 N ATOM 1300 CA ALA A 81 -13.558 5.809 6.283 1.00 0.00 C ATOM 1301 C ALA A 81 -14.514 5.041 5.369 1.00 0.00 C ATOM 1302 O ALA A 81 -14.081 4.388 4.420 1.00 0.00 O ATOM 1303 CB ALA A 81 -13.611 7.319 6.045 1.00 0.00 C ATOM 0 H ALA A 81 -11.754 5.683 5.225 1.00 0.00 H new ATOM 0 HA ALA A 81 -13.871 5.630 7.312 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -14.628 7.677 6.204 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -12.937 7.821 6.739 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -13.305 7.537 5.022 1.00 0.00 H new ATOM 1309 N PRO A 82 -15.830 5.146 5.695 1.00 0.00 N ATOM 1310 CA PRO A 82 -16.851 4.469 4.914 1.00 0.00 C ATOM 1311 C PRO A 82 -17.088 5.185 3.583 1.00 0.00 C ATOM 1312 O PRO A 82 -17.179 4.544 2.537 1.00 0.00 O ATOM 1313 CB PRO A 82 -18.082 4.452 5.806 1.00 0.00 C ATOM 1314 CG PRO A 82 -17.848 5.521 6.860 1.00 0.00 C ATOM 1315 CD PRO A 82 -16.379 5.910 6.811 1.00 0.00 C ATOM 0 HA PRO A 82 -16.563 3.455 4.635 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -18.984 4.662 5.231 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -18.217 3.473 6.266 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -18.479 6.389 6.670 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -18.111 5.146 7.849 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -16.258 6.982 6.654 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -15.873 5.665 7.745 1.00 0.00 H new ATOM 1323 N ARG A 83 -17.180 6.504 3.665 1.00 0.00 N ATOM 1324 CA ARG A 83 -17.404 7.314 2.479 1.00 0.00 C ATOM 1325 C ARG A 83 -16.097 7.496 1.706 1.00 0.00 C ATOM 1326 O ARG A 83 -16.113 7.725 0.497 1.00 0.00 O ATOM 1327 CB ARG A 83 -17.965 8.688 2.849 1.00 0.00 C ATOM 1328 CG ARG A 83 -16.894 9.558 3.510 1.00 0.00 C ATOM 1329 CD ARG A 83 -17.527 10.602 4.432 1.00 0.00 C ATOM 1330 NE ARG A 83 -16.813 11.892 4.301 1.00 0.00 N ATOM 1331 CZ ARG A 83 -16.706 12.578 3.154 1.00 0.00 C ATOM 1332 NH1 ARG A 83 -17.265 12.101 2.034 1.00 0.00 N ATOM 1333 NH2 ARG A 83 -16.040 13.740 3.129 1.00 0.00 N ATOM 0 H ARG A 83 -17.104 7.032 4.534 1.00 0.00 H new ATOM 0 HA ARG A 83 -18.130 6.794 1.854 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -18.340 9.184 1.954 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -18.811 8.569 3.526 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -16.211 8.929 4.082 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -16.301 10.057 2.743 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -18.579 10.732 4.179 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -17.487 10.258 5.466 1.00 0.00 H new ATOM 0 HE ARG A 83 -16.375 12.283 5.135 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -17.772 11.216 2.054 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -17.184 12.623 1.161 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -15.615 14.102 3.982 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -15.958 14.262 2.257 1.00 0.00 H new ATOM 1347 N LEU A 84 -14.995 7.386 2.434 1.00 0.00 N ATOM 1348 CA LEU A 84 -13.682 7.535 1.831 1.00 0.00 C ATOM 1349 C LEU A 84 -13.259 6.206 1.203 1.00 0.00 C ATOM 1350 O LEU A 84 -12.830 6.168 0.051 1.00 0.00 O ATOM 1351 CB LEU A 84 -12.681 8.077 2.854 1.00 0.00 C ATOM 1352 CG LEU A 84 -11.829 9.263 2.396 1.00 0.00 C ATOM 1353 CD1 LEU A 84 -12.552 10.587 2.649 1.00 0.00 C ATOM 1354 CD2 LEU A 84 -10.447 9.230 3.050 1.00 0.00 C ATOM 0 H LEU A 84 -14.985 7.195 3.436 1.00 0.00 H new ATOM 0 HA LEU A 84 -13.714 8.271 1.028 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -13.230 8.373 3.748 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -12.013 7.266 3.144 1.00 0.00 H new ATOM 0 HG LEU A 84 -11.677 9.180 1.320 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -11.925 11.414 2.315 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -13.492 10.599 2.098 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -12.754 10.693 3.715 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -9.862 10.084 2.708 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -10.556 9.276 4.134 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -9.937 8.307 2.776 1.00 0.00 H new ATOM 1366 N ARG A 85 -13.396 5.147 1.988 1.00 0.00 N ATOM 1367 CA ARG A 85 -13.034 3.819 1.523 1.00 0.00 C ATOM 1368 C ARG A 85 -13.739 3.509 0.201 1.00 0.00 C ATOM 1369 O ARG A 85 -13.100 3.099 -0.767 1.00 0.00 O ATOM 1370 CB ARG A 85 -13.408 2.753 2.555 1.00 0.00 C ATOM 1371 CG ARG A 85 -13.154 1.347 2.008 1.00 0.00 C ATOM 1372 CD ARG A 85 -14.369 0.444 2.230 1.00 0.00 C ATOM 1373 NE ARG A 85 -14.148 -0.422 3.409 1.00 0.00 N ATOM 1374 CZ ARG A 85 -15.022 -1.342 3.840 1.00 0.00 C ATOM 1375 NH1 ARG A 85 -16.181 -1.520 3.192 1.00 0.00 N ATOM 1376 NH2 ARG A 85 -14.737 -2.083 4.920 1.00 0.00 N ATOM 0 H ARG A 85 -13.753 5.182 2.943 1.00 0.00 H new ATOM 0 HA ARG A 85 -11.954 3.802 1.375 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -12.827 2.903 3.465 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -14.459 2.857 2.826 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -12.928 1.403 0.943 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -12.281 0.915 2.497 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -15.262 1.052 2.377 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -14.543 -0.169 1.346 1.00 0.00 H new ATOM 0 HE ARG A 85 -13.276 -0.312 3.926 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -16.398 -0.955 2.371 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -16.846 -2.220 3.520 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -13.855 -1.947 5.414 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -15.402 -2.783 5.248 1.00 0.00 H new ATOM 1390 N GLU A 86 -15.048 3.716 0.202 1.00 0.00 N ATOM 1391 CA GLU A 86 -15.847 3.463 -0.985 1.00 0.00 C ATOM 1392 C GLU A 86 -15.283 4.237 -2.178 1.00 0.00 C ATOM 1393 O GLU A 86 -15.202 3.706 -3.285 1.00 0.00 O ATOM 1394 CB GLU A 86 -17.315 3.820 -0.744 1.00 0.00 C ATOM 1395 CG GLU A 86 -18.235 2.993 -1.643 1.00 0.00 C ATOM 1396 CD GLU A 86 -19.530 3.749 -1.947 1.00 0.00 C ATOM 1397 OE1 GLU A 86 -20.085 4.331 -0.990 1.00 0.00 O ATOM 1398 OE2 GLU A 86 -19.936 3.727 -3.129 1.00 0.00 O ATOM 0 H GLU A 86 -15.575 4.056 1.006 1.00 0.00 H new ATOM 0 HA GLU A 86 -15.799 2.398 -1.212 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -17.569 3.645 0.301 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -17.471 4.882 -0.936 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -17.721 2.755 -2.575 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -18.468 2.046 -1.157 1.00 0.00 H new ATOM 1405 N GLN A 87 -14.908 5.480 -1.913 1.00 0.00 N ATOM 1406 CA GLN A 87 -14.354 6.332 -2.952 1.00 0.00 C ATOM 1407 C GLN A 87 -12.947 5.864 -3.328 1.00 0.00 C ATOM 1408 O GLN A 87 -12.564 5.914 -4.496 1.00 0.00 O ATOM 1409 CB GLN A 87 -14.345 7.797 -2.512 1.00 0.00 C ATOM 1410 CG GLN A 87 -15.641 8.500 -2.920 1.00 0.00 C ATOM 1411 CD GLN A 87 -15.349 9.740 -3.767 1.00 0.00 C ATOM 1412 OE1 GLN A 87 -14.698 9.681 -4.797 1.00 0.00 O ATOM 1413 NE2 GLN A 87 -15.866 10.864 -3.278 1.00 0.00 N ATOM 0 H GLN A 87 -14.977 5.917 -0.994 1.00 0.00 H new ATOM 0 HA GLN A 87 -14.989 6.256 -3.835 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -14.221 7.855 -1.431 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -13.493 8.309 -2.959 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -16.271 7.811 -3.483 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -16.199 8.787 -2.029 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -16.401 10.844 -2.410 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -15.727 11.746 -3.771 1.00 0.00 H new ATOM 1422 N VAL A 88 -12.215 5.420 -2.316 1.00 0.00 N ATOM 1423 CA VAL A 88 -10.859 4.944 -2.526 1.00 0.00 C ATOM 1424 C VAL A 88 -10.881 3.771 -3.508 1.00 0.00 C ATOM 1425 O VAL A 88 -9.981 3.632 -4.336 1.00 0.00 O ATOM 1426 CB VAL A 88 -10.215 4.588 -1.185 1.00 0.00 C ATOM 1427 CG1 VAL A 88 -8.792 4.061 -1.381 1.00 0.00 C ATOM 1428 CG2 VAL A 88 -10.229 5.788 -0.235 1.00 0.00 C ATOM 0 H VAL A 88 -12.536 5.380 -1.349 1.00 0.00 H new ATOM 0 HA VAL A 88 -10.244 5.728 -2.969 1.00 0.00 H new ATOM 0 HB VAL A 88 -10.806 3.793 -0.731 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -8.358 3.816 -0.412 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -8.818 3.167 -2.004 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -8.185 4.825 -1.867 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -9.765 5.508 0.711 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -9.673 6.612 -0.682 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -11.258 6.099 -0.057 1.00 0.00 H new ATOM 1438 N LEU A 89 -11.919 2.956 -3.384 1.00 0.00 N ATOM 1439 CA LEU A 89 -12.070 1.800 -4.250 1.00 0.00 C ATOM 1440 C LEU A 89 -12.050 2.255 -5.711 1.00 0.00 C ATOM 1441 O LEU A 89 -11.389 1.641 -6.547 1.00 0.00 O ATOM 1442 CB LEU A 89 -13.322 1.006 -3.871 1.00 0.00 C ATOM 1443 CG LEU A 89 -13.339 0.414 -2.460 1.00 0.00 C ATOM 1444 CD1 LEU A 89 -14.748 -0.042 -2.074 1.00 0.00 C ATOM 1445 CD2 LEU A 89 -12.315 -0.715 -2.328 1.00 0.00 C ATOM 0 H LEU A 89 -12.663 3.074 -2.697 1.00 0.00 H new ATOM 0 HA LEU A 89 -11.233 1.114 -4.118 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -14.189 1.658 -3.981 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -13.443 0.193 -4.586 1.00 0.00 H new ATOM 0 HG LEU A 89 -13.050 1.195 -1.757 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -14.732 -0.459 -1.067 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -15.427 0.810 -2.104 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -15.089 -0.803 -2.776 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -12.347 -1.119 -1.316 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -12.550 -1.505 -3.041 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -11.317 -0.327 -2.532 1.00 0.00 H new ATOM 1457 N ARG A 90 -12.781 3.328 -5.973 1.00 0.00 N ATOM 1458 CA ARG A 90 -12.855 3.873 -7.318 1.00 0.00 C ATOM 1459 C ARG A 90 -11.450 4.126 -7.866 1.00 0.00 C ATOM 1460 O ARG A 90 -11.251 4.168 -9.079 1.00 0.00 O ATOM 1461 CB ARG A 90 -13.647 5.183 -7.338 1.00 0.00 C ATOM 1462 CG ARG A 90 -15.031 4.977 -7.956 1.00 0.00 C ATOM 1463 CD ARG A 90 -16.120 5.605 -7.084 1.00 0.00 C ATOM 1464 NE ARG A 90 -16.243 7.048 -7.389 1.00 0.00 N ATOM 1465 CZ ARG A 90 -17.081 7.881 -6.757 1.00 0.00 C ATOM 1466 NH1 ARG A 90 -17.876 7.419 -5.782 1.00 0.00 N ATOM 1467 NH2 ARG A 90 -17.126 9.175 -7.101 1.00 0.00 N ATOM 0 H ARG A 90 -13.327 3.835 -5.277 1.00 0.00 H new ATOM 0 HA ARG A 90 -13.367 3.142 -7.945 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -13.751 5.565 -6.322 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -13.099 5.935 -7.906 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -15.058 5.419 -8.952 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -15.225 3.911 -8.075 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -17.072 5.105 -7.261 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -15.878 5.467 -6.030 1.00 0.00 H new ATOM 0 HE ARG A 90 -15.653 7.433 -8.127 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -17.843 6.433 -5.521 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -18.514 8.053 -5.301 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -16.522 9.526 -7.844 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -17.764 9.809 -6.620 1.00 0.00 H new ATOM 1481 N GLU A 91 -10.510 4.287 -6.946 1.00 0.00 N ATOM 1482 CA GLU A 91 -9.129 4.534 -7.323 1.00 0.00 C ATOM 1483 C GLU A 91 -8.297 3.261 -7.155 1.00 0.00 C ATOM 1484 O GLU A 91 -7.517 2.905 -8.037 1.00 0.00 O ATOM 1485 CB GLU A 91 -8.537 5.687 -6.509 1.00 0.00 C ATOM 1486 CG GLU A 91 -9.251 7.003 -6.823 1.00 0.00 C ATOM 1487 CD GLU A 91 -8.484 7.805 -7.876 1.00 0.00 C ATOM 1488 OE1 GLU A 91 -8.250 7.235 -8.964 1.00 0.00 O ATOM 1489 OE2 GLU A 91 -8.149 8.970 -7.570 1.00 0.00 O ATOM 0 H GLU A 91 -10.678 4.251 -5.941 1.00 0.00 H new ATOM 0 HA GLU A 91 -9.106 4.824 -8.373 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.623 5.467 -5.445 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -7.474 5.784 -6.729 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -10.260 6.797 -7.181 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -9.350 7.593 -5.912 1.00 0.00 H new ATOM 1496 N ALA A 92 -8.491 2.610 -6.018 1.00 0.00 N ATOM 1497 CA ALA A 92 -7.769 1.385 -5.724 1.00 0.00 C ATOM 1498 C ALA A 92 -7.658 0.545 -6.998 1.00 0.00 C ATOM 1499 O ALA A 92 -8.653 0.321 -7.686 1.00 0.00 O ATOM 1500 CB ALA A 92 -8.474 0.635 -4.591 1.00 0.00 C ATOM 0 H ALA A 92 -9.139 2.908 -5.289 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.757 1.608 -5.387 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.932 -0.284 -4.371 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -8.501 1.263 -3.700 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -9.492 0.392 -4.894 1.00 0.00 H new ATOM 1506 N ILE A 93 -6.440 0.103 -7.273 1.00 0.00 N ATOM 1507 CA ILE A 93 -6.187 -0.707 -8.452 1.00 0.00 C ATOM 1508 C ILE A 93 -5.453 -1.985 -8.040 1.00 0.00 C ATOM 1509 O ILE A 93 -4.368 -1.924 -7.464 1.00 0.00 O ATOM 1510 CB ILE A 93 -5.449 0.109 -9.515 1.00 0.00 C ATOM 1511 CG1 ILE A 93 -4.126 0.651 -8.970 1.00 0.00 C ATOM 1512 CG2 ILE A 93 -6.341 1.224 -10.067 1.00 0.00 C ATOM 1513 CD1 ILE A 93 -3.013 0.530 -10.014 1.00 0.00 C ATOM 0 H ILE A 93 -5.618 0.290 -6.700 1.00 0.00 H new ATOM 0 HA ILE A 93 -7.127 -1.012 -8.912 1.00 0.00 H new ATOM 0 HB ILE A 93 -5.208 -0.553 -10.347 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -4.248 1.695 -8.682 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -3.847 0.103 -8.070 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -5.793 1.789 -10.821 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -7.232 0.787 -10.518 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -6.634 1.891 -9.256 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -2.083 0.922 -9.602 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -2.878 -0.518 -10.282 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -3.284 1.100 -10.903 1.00 0.00 H new ATOM 1525 N PRO A 94 -6.091 -3.143 -8.360 1.00 0.00 N ATOM 1526 CA PRO A 94 -5.511 -4.433 -8.029 1.00 0.00 C ATOM 1527 C PRO A 94 -4.352 -4.771 -8.970 1.00 0.00 C ATOM 1528 O PRO A 94 -4.556 -4.962 -10.168 1.00 0.00 O ATOM 1529 CB PRO A 94 -6.663 -5.420 -8.128 1.00 0.00 C ATOM 1530 CG PRO A 94 -7.733 -4.729 -8.957 1.00 0.00 C ATOM 1531 CD PRO A 94 -7.377 -3.254 -9.043 1.00 0.00 C ATOM 0 HA PRO A 94 -5.072 -4.453 -7.032 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -6.342 -6.349 -8.600 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -7.042 -5.679 -7.139 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -7.786 -5.167 -9.954 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -8.714 -4.859 -8.499 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -7.305 -2.924 -10.079 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -8.135 -2.635 -8.563 1.00 0.00 H new ATOM 1539 N LEU A 95 -3.162 -4.834 -8.392 1.00 0.00 N ATOM 1540 CA LEU A 95 -1.971 -5.146 -9.164 1.00 0.00 C ATOM 1541 C LEU A 95 -1.950 -6.642 -9.480 1.00 0.00 C ATOM 1542 O LEU A 95 -1.568 -7.453 -8.639 1.00 0.00 O ATOM 1543 CB LEU A 95 -0.717 -4.654 -8.437 1.00 0.00 C ATOM 1544 CG LEU A 95 0.606 -5.279 -8.884 1.00 0.00 C ATOM 1545 CD1 LEU A 95 1.621 -4.199 -9.264 1.00 0.00 C ATOM 1546 CD2 LEU A 95 1.152 -6.228 -7.815 1.00 0.00 C ATOM 0 H LEU A 95 -2.997 -4.674 -7.398 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.987 -4.619 -10.118 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -0.647 -3.574 -8.565 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -0.842 -4.841 -7.371 1.00 0.00 H new ATOM 0 HG LEU A 95 0.419 -5.874 -9.778 1.00 0.00 H new ATOM 0 HD11 LEU A 95 2.553 -4.670 -9.578 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.224 -3.598 -10.082 1.00 0.00 H new ATOM 0 HD13 LEU A 95 1.810 -3.558 -8.403 1.00 0.00 H new ATOM 0 HD21 LEU A 95 2.093 -6.659 -8.157 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.321 -5.676 -6.890 1.00 0.00 H new ATOM 0 HD23 LEU A 95 0.432 -7.026 -7.635 1.00 0.00 H new