USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 681 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 47 TYR OH : rot -81:sc= 0.191 USER MOD Set 1.2: A 56 HIS : no HE2:sc= -4.69! C(o=-4.5!,f=-4.2!) USER MOD Single : A 1 MET CE :methyl 179:sc= -0.202 (180deg=-0.209) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 167:sc= -0.0105 (180deg=-0.177) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -1.2 K(o=-1.2,f=-0.0053) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.562 2.822 8.850 1.00 0.00 N ATOM 2 CA MET A 1 -15.977 2.827 7.514 1.00 0.00 C ATOM 3 C MET A 1 -15.676 1.406 7.047 1.00 0.00 C ATOM 4 O MET A 1 -14.827 0.722 7.618 1.00 0.00 O ATOM 5 CB MET A 1 -14.696 3.663 7.498 1.00 0.00 C ATOM 6 CG MET A 1 -14.947 5.159 7.396 1.00 0.00 C ATOM 7 SD MET A 1 -13.513 6.064 6.785 1.00 0.00 S ATOM 8 CE MET A 1 -12.293 5.643 8.027 1.00 0.00 C ATOM 0 H1 MET A 1 -16.758 3.799 9.147 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.449 2.279 8.839 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.897 2.384 9.519 1.00 0.00 H new ATOM 0 HA MET A 1 -16.700 3.270 6.830 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.128 3.459 8.406 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.077 3.349 6.657 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.794 5.337 6.733 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.224 5.545 8.377 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.343 6.115 7.778 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.629 5.996 9.002 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.164 4.561 8.058 1.00 0.00 H new ATOM 18 N ARG A 2 -16.378 0.969 6.007 1.00 0.00 N ATOM 19 CA ARG A 2 -16.187 -0.371 5.465 1.00 0.00 C ATOM 20 C ARG A 2 -14.775 -0.537 4.910 1.00 0.00 C ATOM 21 O ARG A 2 -14.565 -0.500 3.697 1.00 0.00 O ATOM 22 CB ARG A 2 -17.214 -0.652 4.367 1.00 0.00 C ATOM 23 CG ARG A 2 -18.523 -1.222 4.889 1.00 0.00 C ATOM 24 CD ARG A 2 -19.316 -1.899 3.782 1.00 0.00 C ATOM 25 NE ARG A 2 -19.713 -0.957 2.739 1.00 0.00 N ATOM 26 CZ ARG A 2 -20.469 -1.289 1.698 1.00 0.00 C ATOM 27 NH1 ARG A 2 -20.907 -2.533 1.562 1.00 0.00 N ATOM 28 NH2 ARG A 2 -20.788 -0.375 0.790 1.00 0.00 N ATOM 0 H ARG A 2 -17.084 1.523 5.523 1.00 0.00 H new ATOM 0 HA ARG A 2 -16.327 -1.086 6.275 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -17.419 0.273 3.828 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -16.784 -1.350 3.649 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -18.318 -1.940 5.683 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -19.119 -0.423 5.329 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -18.717 -2.696 3.342 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -20.205 -2.366 4.206 1.00 0.00 H new ATOM 0 HE ARG A 2 -19.392 0.008 2.814 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -20.664 -3.238 2.258 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -21.487 -2.785 0.762 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -20.453 0.583 0.891 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -21.368 -0.631 -0.009 1.00 0.00 H new ATOM 42 N LEU A 3 -13.811 -0.720 5.805 1.00 0.00 N ATOM 43 CA LEU A 3 -12.418 -0.891 5.406 1.00 0.00 C ATOM 44 C LEU A 3 -11.889 -2.252 5.845 1.00 0.00 C ATOM 45 O LEU A 3 -12.422 -2.869 6.768 1.00 0.00 O ATOM 46 CB LEU A 3 -11.555 0.222 6.004 1.00 0.00 C ATOM 47 CG LEU A 3 -11.953 1.651 5.635 1.00 0.00 C ATOM 48 CD1 LEU A 3 -11.065 2.655 6.354 1.00 0.00 C ATOM 49 CD2 LEU A 3 -11.880 1.854 4.129 1.00 0.00 C ATOM 0 H LEU A 3 -13.968 -0.754 6.812 1.00 0.00 H new ATOM 0 HA LEU A 3 -12.368 -0.836 4.319 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -11.578 0.129 7.090 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -10.523 0.062 5.692 1.00 0.00 H new ATOM 0 HG LEU A 3 -12.983 1.814 5.953 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -11.363 3.667 6.079 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -11.169 2.526 7.431 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -10.026 2.492 6.067 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -12.167 2.877 3.885 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -10.862 1.671 3.786 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -12.559 1.159 3.635 1.00 0.00 H new ATOM 61 N VAL A 4 -10.836 -2.715 5.179 1.00 0.00 N ATOM 62 CA VAL A 4 -10.232 -4.002 5.503 1.00 0.00 C ATOM 63 C VAL A 4 -8.737 -3.999 5.202 1.00 0.00 C ATOM 64 O VAL A 4 -8.280 -3.315 4.287 1.00 0.00 O ATOM 65 CB VAL A 4 -10.900 -5.148 4.719 1.00 0.00 C ATOM 66 CG1 VAL A 4 -12.214 -5.546 5.372 1.00 0.00 C ATOM 67 CG2 VAL A 4 -11.116 -4.746 3.268 1.00 0.00 C ATOM 0 H VAL A 4 -10.384 -2.218 4.412 1.00 0.00 H new ATOM 0 HA VAL A 4 -10.384 -4.164 6.570 1.00 0.00 H new ATOM 0 HB VAL A 4 -10.236 -6.013 4.737 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -12.671 -6.357 4.805 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -12.027 -5.878 6.393 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -12.887 -4.689 5.387 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -11.589 -5.567 2.729 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -11.759 -3.867 3.226 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -10.155 -4.515 2.807 1.00 0.00 H new ATOM 77 N GLU A 5 -7.981 -4.768 5.978 1.00 0.00 N ATOM 78 CA GLU A 5 -6.537 -4.853 5.795 1.00 0.00 C ATOM 79 C GLU A 5 -6.186 -5.866 4.708 1.00 0.00 C ATOM 80 O GLU A 5 -6.501 -7.051 4.824 1.00 0.00 O ATOM 81 CB GLU A 5 -5.856 -5.241 7.108 1.00 0.00 C ATOM 82 CG GLU A 5 -4.367 -5.509 6.966 1.00 0.00 C ATOM 83 CD GLU A 5 -3.800 -6.290 8.135 1.00 0.00 C ATOM 84 OE1 GLU A 5 -4.285 -6.097 9.270 1.00 0.00 O ATOM 85 OE2 GLU A 5 -2.870 -7.094 7.916 1.00 0.00 O ATOM 0 H GLU A 5 -8.344 -5.341 6.740 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.177 -3.872 5.484 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -6.005 -4.442 7.835 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.340 -6.131 7.509 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -4.188 -6.062 6.044 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -3.838 -4.560 6.877 1.00 0.00 H new ATOM 92 N ILE A 6 -5.532 -5.391 3.654 1.00 0.00 N ATOM 93 CA ILE A 6 -5.137 -6.254 2.548 1.00 0.00 C ATOM 94 C ILE A 6 -3.656 -6.608 2.628 1.00 0.00 C ATOM 95 O ILE A 6 -3.254 -7.719 2.287 1.00 0.00 O ATOM 96 CB ILE A 6 -5.422 -5.591 1.187 1.00 0.00 C ATOM 97 CG1 ILE A 6 -4.867 -4.165 1.164 1.00 0.00 C ATOM 98 CG2 ILE A 6 -6.916 -5.588 0.901 1.00 0.00 C ATOM 99 CD1 ILE A 6 -4.897 -3.527 -0.207 1.00 0.00 C ATOM 0 H ILE A 6 -5.264 -4.413 3.542 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.731 -7.164 2.631 1.00 0.00 H new ATOM 0 HB ILE A 6 -4.924 -6.168 0.407 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.442 -3.549 1.855 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.839 -4.178 1.527 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -7.101 -5.116 -0.064 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -7.284 -6.614 0.880 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -7.435 -5.032 1.682 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -4.489 -2.518 -0.148 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -4.298 -4.121 -0.898 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -5.926 -3.482 -0.565 1.00 0.00 H new ATOM 111 N GLY A 7 -2.849 -5.655 3.084 1.00 0.00 N ATOM 112 CA GLY A 7 -1.422 -5.886 3.203 1.00 0.00 C ATOM 113 C GLY A 7 -0.774 -4.994 4.243 1.00 0.00 C ATOM 114 O GLY A 7 -1.438 -4.150 4.846 1.00 0.00 O ATOM 0 H GLY A 7 -3.158 -4.727 3.373 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.247 -6.930 3.464 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.948 -5.715 2.236 1.00 0.00 H new ATOM 118 N ARG A 8 0.524 -5.181 4.456 1.00 0.00 N ATOM 119 CA ARG A 8 1.260 -4.388 5.433 1.00 0.00 C ATOM 120 C ARG A 8 2.635 -4.002 4.895 1.00 0.00 C ATOM 121 O ARG A 8 3.217 -4.716 4.079 1.00 0.00 O ATOM 122 CB ARG A 8 1.413 -5.166 6.742 1.00 0.00 C ATOM 123 CG ARG A 8 2.288 -4.465 7.768 1.00 0.00 C ATOM 124 CD ARG A 8 2.481 -5.319 9.012 1.00 0.00 C ATOM 125 NE ARG A 8 3.087 -6.611 8.700 1.00 0.00 N ATOM 126 CZ ARG A 8 3.658 -7.394 9.609 1.00 0.00 C ATOM 127 NH1 ARG A 8 3.701 -7.017 10.879 1.00 0.00 N ATOM 128 NH2 ARG A 8 4.187 -8.556 9.248 1.00 0.00 N ATOM 0 H ARG A 8 1.088 -5.875 3.965 1.00 0.00 H new ATOM 0 HA ARG A 8 0.694 -3.476 5.624 1.00 0.00 H new ATOM 0 HB2 ARG A 8 0.426 -5.334 7.173 1.00 0.00 H new ATOM 0 HB3 ARG A 8 1.837 -6.146 6.525 1.00 0.00 H new ATOM 0 HG2 ARG A 8 3.259 -4.239 7.326 1.00 0.00 H new ATOM 0 HG3 ARG A 8 1.834 -3.513 8.045 1.00 0.00 H new ATOM 0 HD2 ARG A 8 3.111 -4.786 9.724 1.00 0.00 H new ATOM 0 HD3 ARG A 8 1.517 -5.478 9.496 1.00 0.00 H new ATOM 0 HE ARG A 8 3.071 -6.930 7.731 1.00 0.00 H new ATOM 0 HH11 ARG A 8 3.295 -6.124 11.160 1.00 0.00 H new ATOM 0 HH12 ARG A 8 4.140 -7.620 11.575 1.00 0.00 H new ATOM 0 HH21 ARG A 8 4.156 -8.849 8.272 1.00 0.00 H new ATOM 0 HH22 ARG A 8 4.625 -9.156 9.947 1.00 0.00 H new ATOM 142 N PHE A 9 3.148 -2.866 5.358 1.00 0.00 N ATOM 143 CA PHE A 9 4.453 -2.383 4.922 1.00 0.00 C ATOM 144 C PHE A 9 5.575 -3.106 5.662 1.00 0.00 C ATOM 145 O PHE A 9 5.520 -3.280 6.879 1.00 0.00 O ATOM 146 CB PHE A 9 4.565 -0.875 5.151 1.00 0.00 C ATOM 147 CG PHE A 9 3.579 -0.072 4.351 1.00 0.00 C ATOM 148 CD1 PHE A 9 3.423 -0.298 2.993 1.00 0.00 C ATOM 149 CD2 PHE A 9 2.810 0.908 4.956 1.00 0.00 C ATOM 150 CE1 PHE A 9 2.517 0.439 2.254 1.00 0.00 C ATOM 151 CE2 PHE A 9 1.902 1.649 4.222 1.00 0.00 C ATOM 152 CZ PHE A 9 1.755 1.413 2.869 1.00 0.00 C ATOM 0 H PHE A 9 2.680 -2.263 6.035 1.00 0.00 H new ATOM 0 HA PHE A 9 4.552 -2.590 3.856 1.00 0.00 H new ATOM 0 HB2 PHE A 9 4.418 -0.665 6.210 1.00 0.00 H new ATOM 0 HB3 PHE A 9 5.575 -0.551 4.899 1.00 0.00 H new ATOM 0 HD1 PHE A 9 4.016 -1.058 2.507 1.00 0.00 H new ATOM 0 HD2 PHE A 9 2.921 1.096 6.014 1.00 0.00 H new ATOM 0 HE1 PHE A 9 2.405 0.253 1.196 1.00 0.00 H new ATOM 0 HE2 PHE A 9 1.309 2.411 4.706 1.00 0.00 H new ATOM 0 HZ PHE A 9 1.046 1.989 2.293 1.00 0.00 H new ATOM 162 N GLY A 10 6.592 -3.527 4.917 1.00 0.00 N ATOM 163 CA GLY A 10 7.713 -4.227 5.518 1.00 0.00 C ATOM 164 C GLY A 10 8.944 -3.351 5.642 1.00 0.00 C ATOM 165 O GLY A 10 9.181 -2.748 6.688 1.00 0.00 O ATOM 0 H GLY A 10 6.660 -3.396 3.908 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.425 -4.586 6.506 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.954 -5.104 4.917 1.00 0.00 H new ATOM 169 N ALA A 11 9.730 -3.283 4.573 1.00 0.00 N ATOM 170 CA ALA A 11 10.943 -2.475 4.567 1.00 0.00 C ATOM 171 C ALA A 11 10.860 -1.367 3.522 1.00 0.00 C ATOM 172 O ALA A 11 10.208 -1.506 2.486 1.00 0.00 O ATOM 173 CB ALA A 11 12.160 -3.352 4.314 1.00 0.00 C ATOM 0 H ALA A 11 9.548 -3.778 3.700 1.00 0.00 H new ATOM 0 HA ALA A 11 11.043 -2.007 5.547 1.00 0.00 H new ATOM 0 HB1 ALA A 11 13.059 -2.735 4.312 1.00 0.00 H new ATOM 0 HB2 ALA A 11 12.237 -4.103 5.100 1.00 0.00 H new ATOM 0 HB3 ALA A 11 12.057 -3.847 3.348 1.00 0.00 H new ATOM 179 N PRO A 12 11.534 -0.241 3.797 1.00 0.00 N ATOM 180 CA PRO A 12 11.551 0.912 2.892 1.00 0.00 C ATOM 181 C PRO A 12 12.339 0.636 1.616 1.00 0.00 C ATOM 182 O PRO A 12 13.562 0.497 1.648 1.00 0.00 O ATOM 183 CB PRO A 12 12.238 2.002 3.720 1.00 0.00 C ATOM 184 CG PRO A 12 13.080 1.260 4.699 1.00 0.00 C ATOM 185 CD PRO A 12 12.332 -0.007 5.013 1.00 0.00 C ATOM 0 HA PRO A 12 10.550 1.181 2.555 1.00 0.00 H new ATOM 0 HB2 PRO A 12 12.844 2.654 3.091 1.00 0.00 H new ATOM 0 HB3 PRO A 12 11.508 2.635 4.225 1.00 0.00 H new ATOM 0 HG2 PRO A 12 14.062 1.040 4.281 1.00 0.00 H new ATOM 0 HG3 PRO A 12 13.243 1.851 5.600 1.00 0.00 H new ATOM 0 HD2 PRO A 12 13.011 -0.836 5.214 1.00 0.00 H new ATOM 0 HD3 PRO A 12 11.699 0.107 5.893 1.00 0.00 H new ATOM 193 N TYR A 13 11.632 0.559 0.495 1.00 0.00 N ATOM 194 CA TYR A 13 12.266 0.297 -0.792 1.00 0.00 C ATOM 195 C TYR A 13 13.442 1.241 -1.022 1.00 0.00 C ATOM 196 O TYR A 13 13.704 2.132 -0.215 1.00 0.00 O ATOM 197 CB TYR A 13 11.248 0.447 -1.925 1.00 0.00 C ATOM 198 CG TYR A 13 11.686 -0.199 -3.220 1.00 0.00 C ATOM 199 CD1 TYR A 13 11.684 -1.581 -3.365 1.00 0.00 C ATOM 200 CD2 TYR A 13 12.101 0.572 -4.298 1.00 0.00 C ATOM 201 CE1 TYR A 13 12.083 -2.176 -4.547 1.00 0.00 C ATOM 202 CE2 TYR A 13 12.501 -0.014 -5.484 1.00 0.00 C ATOM 203 CZ TYR A 13 12.490 -1.388 -5.603 1.00 0.00 C ATOM 204 OH TYR A 13 12.888 -1.975 -6.782 1.00 0.00 O ATOM 0 H TYR A 13 10.619 0.674 0.451 1.00 0.00 H new ATOM 0 HA TYR A 13 12.641 -0.726 -0.782 1.00 0.00 H new ATOM 0 HB2 TYR A 13 10.301 0.008 -1.612 1.00 0.00 H new ATOM 0 HB3 TYR A 13 11.066 1.507 -2.101 1.00 0.00 H new ATOM 0 HD1 TYR A 13 11.365 -2.201 -2.540 1.00 0.00 H new ATOM 0 HD2 TYR A 13 12.111 1.648 -4.208 1.00 0.00 H new ATOM 0 HE1 TYR A 13 12.076 -3.252 -4.643 1.00 0.00 H new ATOM 0 HE2 TYR A 13 12.820 0.600 -6.313 1.00 0.00 H new ATOM 0 HH TYR A 13 13.143 -1.280 -7.424 1.00 0.00 H new ATOM 214 N ALA A 14 14.147 1.038 -2.130 1.00 0.00 N ATOM 215 CA ALA A 14 15.294 1.872 -2.469 1.00 0.00 C ATOM 216 C ALA A 14 15.017 3.339 -2.158 1.00 0.00 C ATOM 217 O ALA A 14 13.865 3.743 -1.995 1.00 0.00 O ATOM 218 CB ALA A 14 15.655 1.700 -3.937 1.00 0.00 C ATOM 0 H ALA A 14 13.944 0.304 -2.808 1.00 0.00 H new ATOM 0 HA ALA A 14 16.138 1.552 -1.859 1.00 0.00 H new ATOM 0 HB1 ALA A 14 16.513 2.328 -4.177 1.00 0.00 H new ATOM 0 HB2 ALA A 14 15.904 0.657 -4.131 1.00 0.00 H new ATOM 0 HB3 ALA A 14 14.807 1.992 -4.557 1.00 0.00 H new ATOM 224 N LEU A 15 16.080 4.131 -2.076 1.00 0.00 N ATOM 225 CA LEU A 15 15.952 5.555 -1.783 1.00 0.00 C ATOM 226 C LEU A 15 14.823 6.179 -2.598 1.00 0.00 C ATOM 227 O LEU A 15 14.168 7.121 -2.153 1.00 0.00 O ATOM 228 CB LEU A 15 17.268 6.277 -2.078 1.00 0.00 C ATOM 229 CG LEU A 15 18.534 5.612 -1.536 1.00 0.00 C ATOM 230 CD1 LEU A 15 19.761 6.442 -1.879 1.00 0.00 C ATOM 231 CD2 LEU A 15 18.428 5.410 -0.031 1.00 0.00 C ATOM 0 H LEU A 15 17.040 3.812 -2.208 1.00 0.00 H new ATOM 0 HA LEU A 15 15.715 5.663 -0.725 1.00 0.00 H new ATOM 0 HB2 LEU A 15 17.369 6.379 -3.159 1.00 0.00 H new ATOM 0 HB3 LEU A 15 17.207 7.285 -1.667 1.00 0.00 H new ATOM 0 HG LEU A 15 18.638 4.635 -2.007 1.00 0.00 H new ATOM 0 HD11 LEU A 15 20.652 5.953 -1.485 1.00 0.00 H new ATOM 0 HD12 LEU A 15 19.846 6.535 -2.962 1.00 0.00 H new ATOM 0 HD13 LEU A 15 19.665 7.433 -1.436 1.00 0.00 H new ATOM 0 HD21 LEU A 15 19.338 4.936 0.337 1.00 0.00 H new ATOM 0 HD22 LEU A 15 18.299 6.376 0.458 1.00 0.00 H new ATOM 0 HD23 LEU A 15 17.571 4.774 0.191 1.00 0.00 H new ATOM 243 N LYS A 16 14.599 5.645 -3.794 1.00 0.00 N ATOM 244 CA LYS A 16 13.548 6.146 -4.671 1.00 0.00 C ATOM 245 C LYS A 16 12.339 6.608 -3.863 1.00 0.00 C ATOM 246 O LYS A 16 11.660 7.564 -4.235 1.00 0.00 O ATOM 247 CB LYS A 16 13.126 5.063 -5.666 1.00 0.00 C ATOM 248 CG LYS A 16 14.158 4.796 -6.748 1.00 0.00 C ATOM 249 CD LYS A 16 14.390 6.023 -7.613 1.00 0.00 C ATOM 250 CE LYS A 16 15.308 5.714 -8.785 1.00 0.00 C ATOM 251 NZ LYS A 16 14.659 4.809 -9.774 1.00 0.00 N ATOM 0 H LYS A 16 15.132 4.865 -4.178 1.00 0.00 H new ATOM 0 HA LYS A 16 13.944 7.000 -5.220 1.00 0.00 H new ATOM 0 HB2 LYS A 16 12.933 4.138 -5.123 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.188 5.358 -6.135 1.00 0.00 H new ATOM 0 HG2 LYS A 16 15.098 4.491 -6.288 1.00 0.00 H new ATOM 0 HG3 LYS A 16 13.825 3.967 -7.373 1.00 0.00 H new ATOM 0 HD2 LYS A 16 13.435 6.393 -7.986 1.00 0.00 H new ATOM 0 HD3 LYS A 16 14.826 6.818 -7.008 1.00 0.00 H new ATOM 0 HE2 LYS A 16 15.595 6.644 -9.277 1.00 0.00 H new ATOM 0 HE3 LYS A 16 16.224 5.252 -8.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 15.217 4.797 -10.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 14.608 3.847 -9.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 13.698 5.151 -9.979 1.00 0.00 H new ATOM 265 N GLY A 17 12.077 5.922 -2.755 1.00 0.00 N ATOM 266 CA GLY A 17 10.951 6.277 -1.911 1.00 0.00 C ATOM 267 C GLY A 17 9.871 5.214 -1.907 1.00 0.00 C ATOM 268 O GLY A 17 8.783 5.426 -1.374 1.00 0.00 O ATOM 0 H GLY A 17 12.624 5.127 -2.427 1.00 0.00 H new ATOM 0 HA2 GLY A 17 11.302 6.438 -0.892 1.00 0.00 H new ATOM 0 HA3 GLY A 17 10.527 7.220 -2.255 1.00 0.00 H new ATOM 272 N GLY A 18 10.172 4.065 -2.504 1.00 0.00 N ATOM 273 CA GLY A 18 9.207 2.982 -2.558 1.00 0.00 C ATOM 274 C GLY A 18 9.040 2.288 -1.220 1.00 0.00 C ATOM 275 O GLY A 18 9.944 2.309 -0.384 1.00 0.00 O ATOM 0 H GLY A 18 11.067 3.865 -2.951 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.243 3.374 -2.884 1.00 0.00 H new ATOM 0 HA3 GLY A 18 9.524 2.254 -3.305 1.00 0.00 H new ATOM 279 N LEU A 19 7.880 1.674 -1.015 1.00 0.00 N ATOM 280 CA LEU A 19 7.596 0.972 0.232 1.00 0.00 C ATOM 281 C LEU A 19 7.148 -0.461 -0.040 1.00 0.00 C ATOM 282 O LEU A 19 6.177 -0.692 -0.761 1.00 0.00 O ATOM 283 CB LEU A 19 6.518 1.714 1.023 1.00 0.00 C ATOM 284 CG LEU A 19 6.989 2.928 1.824 1.00 0.00 C ATOM 285 CD1 LEU A 19 5.803 3.775 2.257 1.00 0.00 C ATOM 286 CD2 LEU A 19 7.801 2.487 3.033 1.00 0.00 C ATOM 0 H LEU A 19 7.121 1.648 -1.696 1.00 0.00 H new ATOM 0 HA LEU A 19 8.513 0.941 0.820 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.745 2.041 0.327 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.051 1.009 1.711 1.00 0.00 H new ATOM 0 HG LEU A 19 7.628 3.535 1.184 1.00 0.00 H new ATOM 0 HD11 LEU A 19 6.158 4.634 2.826 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.262 4.121 1.376 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.137 3.178 2.880 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.128 3.364 3.591 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.185 1.857 3.675 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.672 1.923 2.700 1.00 0.00 H new ATOM 298 N ARG A 20 7.861 -1.419 0.544 1.00 0.00 N ATOM 299 CA ARG A 20 7.536 -2.829 0.365 1.00 0.00 C ATOM 300 C ARG A 20 6.190 -3.162 1.003 1.00 0.00 C ATOM 301 O ARG A 20 6.087 -3.310 2.220 1.00 0.00 O ATOM 302 CB ARG A 20 8.631 -3.707 0.973 1.00 0.00 C ATOM 303 CG ARG A 20 9.883 -3.800 0.117 1.00 0.00 C ATOM 304 CD ARG A 20 10.734 -5.000 0.502 1.00 0.00 C ATOM 305 NE ARG A 20 11.875 -5.172 -0.393 1.00 0.00 N ATOM 306 CZ ARG A 20 12.762 -6.153 -0.272 1.00 0.00 C ATOM 307 NH1 ARG A 20 12.642 -7.044 0.702 1.00 0.00 N ATOM 308 NH2 ARG A 20 13.773 -6.243 -1.127 1.00 0.00 N ATOM 0 H ARG A 20 8.667 -1.244 1.145 1.00 0.00 H new ATOM 0 HA ARG A 20 7.471 -3.028 -0.705 1.00 0.00 H new ATOM 0 HB2 ARG A 20 8.900 -3.312 1.953 1.00 0.00 H new ATOM 0 HB3 ARG A 20 8.234 -4.710 1.132 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.602 -3.874 -0.934 1.00 0.00 H new ATOM 0 HG3 ARG A 20 10.469 -2.887 0.227 1.00 0.00 H new ATOM 0 HD2 ARG A 20 11.091 -4.878 1.525 1.00 0.00 H new ATOM 0 HD3 ARG A 20 10.120 -5.900 0.484 1.00 0.00 H new ATOM 0 HE ARG A 20 11.997 -4.502 -1.152 1.00 0.00 H new ATOM 0 HH11 ARG A 20 11.867 -6.977 1.361 1.00 0.00 H new ATOM 0 HH12 ARG A 20 13.325 -7.796 0.792 1.00 0.00 H new ATOM 0 HH21 ARG A 20 13.869 -5.559 -1.877 1.00 0.00 H new ATOM 0 HH22 ARG A 20 14.454 -6.997 -1.034 1.00 0.00 H new ATOM 322 N PHE A 21 5.160 -3.277 0.171 1.00 0.00 N ATOM 323 CA PHE A 21 3.819 -3.590 0.653 1.00 0.00 C ATOM 324 C PHE A 21 3.461 -5.043 0.357 1.00 0.00 C ATOM 325 O PHE A 21 3.487 -5.478 -0.795 1.00 0.00 O ATOM 326 CB PHE A 21 2.792 -2.658 0.008 1.00 0.00 C ATOM 327 CG PHE A 21 1.381 -3.167 0.098 1.00 0.00 C ATOM 328 CD1 PHE A 21 0.650 -3.016 1.265 1.00 0.00 C ATOM 329 CD2 PHE A 21 0.787 -3.795 -0.984 1.00 0.00 C ATOM 330 CE1 PHE A 21 -0.648 -3.483 1.351 1.00 0.00 C ATOM 331 CE2 PHE A 21 -0.511 -4.264 -0.904 1.00 0.00 C ATOM 332 CZ PHE A 21 -1.229 -4.108 0.265 1.00 0.00 C ATOM 0 H PHE A 21 5.228 -3.158 -0.840 1.00 0.00 H new ATOM 0 HA PHE A 21 3.804 -3.443 1.733 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.849 -1.681 0.487 1.00 0.00 H new ATOM 0 HB3 PHE A 21 3.052 -2.514 -1.041 1.00 0.00 H new ATOM 0 HD1 PHE A 21 1.099 -2.528 2.117 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.344 -3.920 -1.901 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -1.207 -3.359 2.267 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -0.963 -4.752 -1.755 1.00 0.00 H new ATOM 0 HZ PHE A 21 -2.243 -4.474 0.330 1.00 0.00 H new ATOM 342 N ARG A 22 3.128 -5.790 1.404 1.00 0.00 N ATOM 343 CA ARG A 22 2.766 -7.194 1.258 1.00 0.00 C ATOM 344 C ARG A 22 1.278 -7.404 1.527 1.00 0.00 C ATOM 345 O ARG A 22 0.856 -7.525 2.676 1.00 0.00 O ATOM 346 CB ARG A 22 3.594 -8.059 2.210 1.00 0.00 C ATOM 347 CG ARG A 22 3.350 -9.550 2.047 1.00 0.00 C ATOM 348 CD ARG A 22 3.843 -10.051 0.699 1.00 0.00 C ATOM 349 NE ARG A 22 3.462 -11.440 0.459 1.00 0.00 N ATOM 350 CZ ARG A 22 3.573 -12.039 -0.722 1.00 0.00 C ATOM 351 NH1 ARG A 22 4.050 -11.373 -1.764 1.00 0.00 N ATOM 352 NH2 ARG A 22 3.205 -13.306 -0.862 1.00 0.00 N ATOM 0 H ARG A 22 3.101 -5.446 2.364 1.00 0.00 H new ATOM 0 HA ARG A 22 2.977 -7.492 0.231 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.652 -7.853 2.047 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.368 -7.773 3.237 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.857 -10.092 2.845 1.00 0.00 H new ATOM 0 HG3 ARG A 22 2.285 -9.758 2.146 1.00 0.00 H new ATOM 0 HD2 ARG A 22 3.436 -9.422 -0.093 1.00 0.00 H new ATOM 0 HD3 ARG A 22 4.928 -9.960 0.653 1.00 0.00 H new ATOM 0 HE ARG A 22 3.090 -11.980 1.240 1.00 0.00 H new ATOM 0 HH11 ARG A 22 4.333 -10.398 -1.660 1.00 0.00 H new ATOM 0 HH12 ARG A 22 4.134 -11.835 -2.669 1.00 0.00 H new ATOM 0 HH21 ARG A 22 2.836 -13.821 -0.063 1.00 0.00 H new ATOM 0 HH22 ARG A 22 3.291 -13.765 -1.769 1.00 0.00 H new ATOM 366 N GLY A 23 0.488 -7.444 0.458 1.00 0.00 N ATOM 367 CA GLY A 23 -0.943 -7.638 0.601 1.00 0.00 C ATOM 368 C GLY A 23 -1.520 -8.519 -0.490 1.00 0.00 C ATOM 369 O GLY A 23 -0.821 -8.886 -1.434 1.00 0.00 O ATOM 0 H GLY A 23 0.813 -7.346 -0.504 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.151 -8.085 1.573 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.442 -6.669 0.583 1.00 0.00 H new ATOM 373 N GLU A 24 -2.798 -8.860 -0.359 1.00 0.00 N ATOM 374 CA GLU A 24 -3.467 -9.705 -1.341 1.00 0.00 C ATOM 375 C GLU A 24 -3.242 -9.179 -2.755 1.00 0.00 C ATOM 376 O GLU A 24 -2.939 -8.005 -2.967 1.00 0.00 O ATOM 377 CB GLU A 24 -4.966 -9.779 -1.045 1.00 0.00 C ATOM 378 CG GLU A 24 -5.322 -10.763 0.057 1.00 0.00 C ATOM 379 CD GLU A 24 -6.751 -11.259 -0.041 1.00 0.00 C ATOM 380 OE1 GLU A 24 -7.676 -10.432 0.102 1.00 0.00 O ATOM 381 OE2 GLU A 24 -6.945 -12.473 -0.262 1.00 0.00 O ATOM 0 H GLU A 24 -3.390 -8.564 0.417 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.040 -10.706 -1.272 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.321 -8.788 -0.764 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.494 -10.060 -1.956 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.642 -11.614 0.012 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -5.173 -10.287 1.026 1.00 0.00 H new ATOM 388 N PRO A 25 -3.392 -10.069 -3.748 1.00 0.00 N ATOM 389 CA PRO A 25 -3.210 -9.719 -5.159 1.00 0.00 C ATOM 390 C PRO A 25 -4.316 -8.806 -5.678 1.00 0.00 C ATOM 391 O PRO A 25 -4.194 -8.213 -6.749 1.00 0.00 O ATOM 392 CB PRO A 25 -3.257 -11.073 -5.870 1.00 0.00 C ATOM 393 CG PRO A 25 -4.056 -11.948 -4.966 1.00 0.00 C ATOM 394 CD PRO A 25 -3.752 -11.485 -3.568 1.00 0.00 C ATOM 0 HA PRO A 25 -2.285 -9.167 -5.325 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -3.722 -10.989 -6.852 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.255 -11.474 -6.025 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -5.121 -11.864 -5.182 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -3.786 -12.996 -5.098 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -4.614 -11.600 -2.910 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -2.935 -12.054 -3.125 1.00 0.00 H new ATOM 402 N VAL A 26 -5.396 -8.698 -4.910 1.00 0.00 N ATOM 403 CA VAL A 26 -6.524 -7.857 -5.291 1.00 0.00 C ATOM 404 C VAL A 26 -6.138 -6.382 -5.278 1.00 0.00 C ATOM 405 O VAL A 26 -6.860 -5.535 -5.806 1.00 0.00 O ATOM 406 CB VAL A 26 -7.726 -8.070 -4.352 1.00 0.00 C ATOM 407 CG1 VAL A 26 -7.397 -7.592 -2.946 1.00 0.00 C ATOM 408 CG2 VAL A 26 -8.957 -7.357 -4.892 1.00 0.00 C ATOM 0 H VAL A 26 -5.513 -9.183 -4.020 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.808 -8.147 -6.303 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.944 -9.137 -4.305 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.258 -7.751 -2.297 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.545 -8.152 -2.561 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.152 -6.530 -2.971 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.797 -7.518 -4.216 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.754 -6.289 -4.970 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.203 -7.752 -5.877 1.00 0.00 H new ATOM 418 N VAL A 27 -4.995 -6.080 -4.672 1.00 0.00 N ATOM 419 CA VAL A 27 -4.511 -4.707 -4.591 1.00 0.00 C ATOM 420 C VAL A 27 -4.162 -4.165 -5.972 1.00 0.00 C ATOM 421 O VAL A 27 -4.111 -2.952 -6.181 1.00 0.00 O ATOM 422 CB VAL A 27 -3.272 -4.601 -3.681 1.00 0.00 C ATOM 423 CG1 VAL A 27 -2.078 -5.291 -4.323 1.00 0.00 C ATOM 424 CG2 VAL A 27 -2.957 -3.144 -3.379 1.00 0.00 C ATOM 0 H VAL A 27 -4.386 -6.768 -4.229 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.318 -4.112 -4.164 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.489 -5.105 -2.739 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.212 -5.206 -3.666 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.309 -6.344 -4.484 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.856 -4.818 -5.280 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.079 -3.087 -2.735 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.759 -2.614 -4.311 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.807 -2.685 -2.874 1.00 0.00 H new ATOM 434 N LEU A 28 -3.923 -5.071 -6.914 1.00 0.00 N ATOM 435 CA LEU A 28 -3.578 -4.684 -8.278 1.00 0.00 C ATOM 436 C LEU A 28 -4.742 -3.962 -8.949 1.00 0.00 C ATOM 437 O LEU A 28 -4.605 -3.433 -10.052 1.00 0.00 O ATOM 438 CB LEU A 28 -3.188 -5.917 -9.095 1.00 0.00 C ATOM 439 CG LEU A 28 -2.064 -6.777 -8.517 1.00 0.00 C ATOM 440 CD1 LEU A 28 -1.674 -7.874 -9.496 1.00 0.00 C ATOM 441 CD2 LEU A 28 -0.858 -5.917 -8.170 1.00 0.00 C ATOM 0 H LEU A 28 -3.962 -6.078 -6.759 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.729 -4.002 -8.233 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.072 -6.543 -9.215 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.892 -5.589 -10.091 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.426 -7.246 -7.602 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.873 -8.476 -9.068 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.538 -8.508 -9.695 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.332 -7.425 -10.428 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.068 -6.546 -7.760 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.495 -5.419 -9.069 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.145 -5.168 -7.432 1.00 0.00 H new ATOM 453 N HIS A 29 -5.888 -3.943 -8.275 1.00 0.00 N ATOM 454 CA HIS A 29 -7.076 -3.283 -8.805 1.00 0.00 C ATOM 455 C HIS A 29 -7.403 -2.027 -8.003 1.00 0.00 C ATOM 456 O HIS A 29 -8.405 -1.358 -8.259 1.00 0.00 O ATOM 457 CB HIS A 29 -8.268 -4.240 -8.787 1.00 0.00 C ATOM 458 CG HIS A 29 -8.194 -5.309 -9.833 1.00 0.00 C ATOM 459 ND1 HIS A 29 -8.794 -5.196 -11.069 1.00 0.00 N ATOM 460 CD2 HIS A 29 -7.584 -6.518 -9.822 1.00 0.00 C ATOM 461 CE1 HIS A 29 -8.558 -6.288 -11.773 1.00 0.00 C ATOM 462 NE2 HIS A 29 -7.825 -7.106 -11.039 1.00 0.00 N ATOM 0 H HIS A 29 -6.019 -4.377 -7.361 1.00 0.00 H new ATOM 0 HA HIS A 29 -6.871 -2.991 -9.835 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -8.333 -4.708 -7.805 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -9.185 -3.668 -8.928 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -7.014 -6.941 -9.008 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -8.905 -6.480 -12.778 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -7.492 -8.025 -11.329 1.00 0.00 H new ATOM 470 N LEU A 30 -6.554 -1.714 -7.031 1.00 0.00 N ATOM 471 CA LEU A 30 -6.753 -0.539 -6.190 1.00 0.00 C ATOM 472 C LEU A 30 -6.034 0.675 -6.770 1.00 0.00 C ATOM 473 O LEU A 30 -5.071 0.535 -7.524 1.00 0.00 O ATOM 474 CB LEU A 30 -6.253 -0.812 -4.770 1.00 0.00 C ATOM 475 CG LEU A 30 -7.165 -1.667 -3.890 1.00 0.00 C ATOM 476 CD1 LEU A 30 -6.405 -2.186 -2.679 1.00 0.00 C ATOM 477 CD2 LEU A 30 -8.386 -0.869 -3.455 1.00 0.00 C ATOM 0 H LEU A 30 -5.721 -2.258 -6.805 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.821 -0.324 -6.157 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -5.282 -1.302 -4.836 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.094 0.145 -4.272 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.504 -2.523 -4.474 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.070 -2.792 -2.064 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.563 -2.794 -3.011 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.036 -1.344 -2.093 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.024 -1.493 -2.829 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.066 0.006 -2.889 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -8.943 -0.548 -4.335 1.00 0.00 H new ATOM 489 N GLU A 31 -6.507 1.864 -6.411 1.00 0.00 N ATOM 490 CA GLU A 31 -5.907 3.102 -6.896 1.00 0.00 C ATOM 491 C GLU A 31 -5.311 3.905 -5.743 1.00 0.00 C ATOM 492 O GLU A 31 -4.277 4.556 -5.896 1.00 0.00 O ATOM 493 CB GLU A 31 -6.949 3.945 -7.634 1.00 0.00 C ATOM 494 CG GLU A 31 -6.522 5.387 -7.851 1.00 0.00 C ATOM 495 CD GLU A 31 -5.533 5.537 -8.991 1.00 0.00 C ATOM 496 OE1 GLU A 31 -4.319 5.369 -8.748 1.00 0.00 O ATOM 497 OE2 GLU A 31 -5.972 5.823 -10.124 1.00 0.00 O ATOM 0 H GLU A 31 -7.303 1.997 -5.787 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.106 2.841 -7.587 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.156 3.487 -8.601 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.881 3.932 -7.069 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.403 5.996 -8.056 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.075 5.772 -6.934 1.00 0.00 H new ATOM 504 N ARG A 32 -5.971 3.854 -4.591 1.00 0.00 N ATOM 505 CA ARG A 32 -5.508 4.578 -3.413 1.00 0.00 C ATOM 506 C ARG A 32 -5.306 3.628 -2.236 1.00 0.00 C ATOM 507 O ARG A 32 -5.632 2.444 -2.317 1.00 0.00 O ATOM 508 CB ARG A 32 -6.508 5.671 -3.034 1.00 0.00 C ATOM 509 CG ARG A 32 -7.747 5.145 -2.328 1.00 0.00 C ATOM 510 CD ARG A 32 -8.477 6.253 -1.584 1.00 0.00 C ATOM 511 NE ARG A 32 -9.132 7.186 -2.496 1.00 0.00 N ATOM 512 CZ ARG A 32 -9.862 8.219 -2.091 1.00 0.00 C ATOM 513 NH1 ARG A 32 -10.028 8.451 -0.796 1.00 0.00 N ATOM 514 NH2 ARG A 32 -10.427 9.024 -2.982 1.00 0.00 N ATOM 0 H ARG A 32 -6.828 3.319 -4.448 1.00 0.00 H new ATOM 0 HA ARG A 32 -4.550 5.039 -3.654 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -6.013 6.397 -2.389 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.812 6.202 -3.936 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.418 4.692 -3.058 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -7.462 4.361 -1.627 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.221 5.814 -0.919 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -7.770 6.796 -0.957 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.023 7.036 -3.499 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -9.594 7.835 -0.108 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -10.589 9.245 -0.488 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -10.301 8.850 -3.979 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -10.987 9.817 -2.670 1.00 0.00 H new ATOM 528 N VAL A 33 -4.767 4.156 -1.141 1.00 0.00 N ATOM 529 CA VAL A 33 -4.522 3.356 0.053 1.00 0.00 C ATOM 530 C VAL A 33 -4.721 4.183 1.318 1.00 0.00 C ATOM 531 O VAL A 33 -4.898 5.400 1.256 1.00 0.00 O ATOM 532 CB VAL A 33 -3.098 2.770 0.054 1.00 0.00 C ATOM 533 CG1 VAL A 33 -2.965 1.689 -1.007 1.00 0.00 C ATOM 534 CG2 VAL A 33 -2.069 3.870 -0.162 1.00 0.00 C ATOM 0 H VAL A 33 -4.492 5.135 -1.057 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.243 2.538 0.040 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.912 2.316 1.027 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.952 1.287 -0.991 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.677 0.889 -0.803 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.171 2.115 -1.989 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.068 3.438 -0.158 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.251 4.355 -1.121 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.149 4.606 0.638 1.00 0.00 H new ATOM 544 N TYR A 34 -4.689 3.515 2.466 1.00 0.00 N ATOM 545 CA TYR A 34 -4.868 4.188 3.747 1.00 0.00 C ATOM 546 C TYR A 34 -3.765 3.796 4.726 1.00 0.00 C ATOM 547 O TYR A 34 -3.605 2.622 5.061 1.00 0.00 O ATOM 548 CB TYR A 34 -6.236 3.848 4.339 1.00 0.00 C ATOM 549 CG TYR A 34 -6.425 4.348 5.754 1.00 0.00 C ATOM 550 CD1 TYR A 34 -5.694 5.427 6.234 1.00 0.00 C ATOM 551 CD2 TYR A 34 -7.336 3.741 6.610 1.00 0.00 C ATOM 552 CE1 TYR A 34 -5.863 5.886 7.525 1.00 0.00 C ATOM 553 CE2 TYR A 34 -7.513 4.195 7.903 1.00 0.00 C ATOM 554 CZ TYR A 34 -6.773 5.267 8.356 1.00 0.00 C ATOM 555 OH TYR A 34 -6.945 5.723 9.643 1.00 0.00 O ATOM 0 H TYR A 34 -4.541 2.508 2.536 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.812 5.263 3.575 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.013 4.275 3.705 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -6.370 2.766 4.324 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -4.981 5.915 5.586 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -7.916 2.900 6.259 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -5.285 6.726 7.882 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -8.227 3.713 8.555 1.00 0.00 H new ATOM 0 HH TYR A 34 -7.623 5.179 10.095 1.00 0.00 H new ATOM 565 N VAL A 35 -3.007 4.788 5.182 1.00 0.00 N ATOM 566 CA VAL A 35 -1.921 4.549 6.124 1.00 0.00 C ATOM 567 C VAL A 35 -2.437 4.506 7.559 1.00 0.00 C ATOM 568 O VAL A 35 -2.594 5.542 8.203 1.00 0.00 O ATOM 569 CB VAL A 35 -0.833 5.634 6.014 1.00 0.00 C ATOM 570 CG1 VAL A 35 0.347 5.301 6.913 1.00 0.00 C ATOM 571 CG2 VAL A 35 -0.385 5.794 4.569 1.00 0.00 C ATOM 0 H VAL A 35 -3.125 5.765 4.914 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.487 3.582 5.868 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.255 6.582 6.347 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.105 6.079 6.822 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.011 5.242 7.948 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.773 4.343 6.615 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.384 6.564 4.510 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.020 4.849 4.207 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.237 6.083 3.954 1.00 0.00 H new ATOM 581 N GLU A 36 -2.697 3.299 8.052 1.00 0.00 N ATOM 582 CA GLU A 36 -3.196 3.121 9.411 1.00 0.00 C ATOM 583 C GLU A 36 -2.207 3.680 10.430 1.00 0.00 C ATOM 584 O GLU A 36 -1.216 3.034 10.768 1.00 0.00 O ATOM 585 CB GLU A 36 -3.454 1.640 9.693 1.00 0.00 C ATOM 586 CG GLU A 36 -3.555 1.311 11.173 1.00 0.00 C ATOM 587 CD GLU A 36 -2.219 0.927 11.778 1.00 0.00 C ATOM 588 OE1 GLU A 36 -1.513 0.090 11.176 1.00 0.00 O ATOM 589 OE2 GLU A 36 -1.879 1.464 12.853 1.00 0.00 O ATOM 0 H GLU A 36 -2.571 2.431 7.531 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.134 3.669 9.502 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.378 1.340 9.199 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.651 1.050 9.252 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -3.957 2.173 11.706 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -4.261 0.492 11.312 1.00 0.00 H new ATOM 596 N GLY A 37 -2.485 4.886 10.916 1.00 0.00 N ATOM 597 CA GLY A 37 -1.612 5.512 11.891 1.00 0.00 C ATOM 598 C GLY A 37 -1.496 7.010 11.689 1.00 0.00 C ATOM 599 O GLY A 37 -1.496 7.776 12.652 1.00 0.00 O ATOM 0 H GLY A 37 -3.299 5.440 10.652 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.990 5.312 12.894 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.621 5.062 11.828 1.00 0.00 H new ATOM 603 N HIS A 38 -1.395 7.429 10.431 1.00 0.00 N ATOM 604 CA HIS A 38 -1.277 8.846 10.105 1.00 0.00 C ATOM 605 C HIS A 38 -2.506 9.333 9.344 1.00 0.00 C ATOM 606 O HIS A 38 -3.387 9.975 9.914 1.00 0.00 O ATOM 607 CB HIS A 38 -0.017 9.096 9.275 1.00 0.00 C ATOM 608 CG HIS A 38 1.254 8.804 10.012 1.00 0.00 C ATOM 609 ND1 HIS A 38 2.502 9.096 9.505 1.00 0.00 N ATOM 610 CD2 HIS A 38 1.464 8.245 11.227 1.00 0.00 C ATOM 611 CE1 HIS A 38 3.426 8.727 10.375 1.00 0.00 C ATOM 612 NE2 HIS A 38 2.822 8.208 11.428 1.00 0.00 N ATOM 0 H HIS A 38 -1.393 6.808 9.622 1.00 0.00 H new ATOM 0 HA HIS A 38 -1.205 9.404 11.039 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -0.056 8.480 8.376 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -0.007 10.136 8.949 1.00 0.00 H new ATOM 0 HD2 HIS A 38 0.705 7.894 11.911 1.00 0.00 H new ATOM 0 HE1 HIS A 38 4.493 8.832 10.246 1.00 0.00 H new ATOM 0 HE2 HIS A 38 3.288 7.839 12.257 1.00 0.00 H new ATOM 620 N GLY A 39 -2.558 9.023 8.052 1.00 0.00 N ATOM 621 CA GLY A 39 -3.683 9.438 7.234 1.00 0.00 C ATOM 622 C GLY A 39 -3.795 8.636 5.953 1.00 0.00 C ATOM 623 O GLY A 39 -2.990 7.739 5.702 1.00 0.00 O ATOM 0 H GLY A 39 -1.841 8.492 7.557 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.604 9.332 7.807 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.580 10.495 6.989 1.00 0.00 H new ATOM 627 N TRP A 40 -4.796 8.959 5.141 1.00 0.00 N ATOM 628 CA TRP A 40 -5.011 8.260 3.879 1.00 0.00 C ATOM 629 C TRP A 40 -3.992 8.701 2.833 1.00 0.00 C ATOM 630 O TRP A 40 -3.547 9.848 2.832 1.00 0.00 O ATOM 631 CB TRP A 40 -6.429 8.515 3.366 1.00 0.00 C ATOM 632 CG TRP A 40 -7.437 7.544 3.902 1.00 0.00 C ATOM 633 CD1 TRP A 40 -8.012 7.559 5.140 1.00 0.00 C ATOM 634 CD2 TRP A 40 -7.988 6.415 3.215 1.00 0.00 C ATOM 635 NE1 TRP A 40 -8.887 6.506 5.265 1.00 0.00 N ATOM 636 CE2 TRP A 40 -8.891 5.790 4.097 1.00 0.00 C ATOM 637 CE3 TRP A 40 -7.808 5.872 1.940 1.00 0.00 C ATOM 638 CZ2 TRP A 40 -9.608 4.651 3.744 1.00 0.00 C ATOM 639 CZ3 TRP A 40 -8.521 4.741 1.591 1.00 0.00 C ATOM 640 CH2 TRP A 40 -9.412 4.140 2.490 1.00 0.00 C ATOM 0 H TRP A 40 -5.471 9.699 5.334 1.00 0.00 H new ATOM 0 HA TRP A 40 -4.883 7.192 4.057 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -6.730 9.527 3.637 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -6.429 8.464 2.277 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -7.809 8.291 5.908 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -9.443 6.292 6.093 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -7.124 6.328 1.240 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -10.295 4.187 4.436 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -8.389 4.313 0.608 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -9.954 3.257 2.187 1.00 0.00 H new ATOM 651 N ARG A 41 -3.628 7.782 1.944 1.00 0.00 N ATOM 652 CA ARG A 41 -2.662 8.076 0.893 1.00 0.00 C ATOM 653 C ARG A 41 -3.136 7.531 -0.451 1.00 0.00 C ATOM 654 O ARG A 41 -4.125 6.803 -0.522 1.00 0.00 O ATOM 655 CB ARG A 41 -1.297 7.479 1.244 1.00 0.00 C ATOM 656 CG ARG A 41 -0.541 8.268 2.300 1.00 0.00 C ATOM 657 CD ARG A 41 -0.171 9.656 1.801 1.00 0.00 C ATOM 658 NE ARG A 41 0.733 10.345 2.717 1.00 0.00 N ATOM 659 CZ ARG A 41 1.268 11.535 2.466 1.00 0.00 C ATOM 660 NH1 ARG A 41 0.989 12.165 1.333 1.00 0.00 N ATOM 661 NH2 ARG A 41 2.082 12.097 3.350 1.00 0.00 N ATOM 0 H ARG A 41 -3.988 6.828 1.931 1.00 0.00 H new ATOM 0 HA ARG A 41 -2.569 9.159 0.814 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -1.437 6.457 1.597 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -0.690 7.424 0.340 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.153 8.354 3.198 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.363 7.728 2.581 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.299 9.575 0.821 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.077 10.248 1.672 1.00 0.00 H new ATOM 0 HE ARG A 41 0.967 9.888 3.598 1.00 0.00 H new ATOM 0 HH11 ARG A 41 0.362 11.736 0.652 1.00 0.00 H new ATOM 0 HH12 ARG A 41 1.401 13.078 1.143 1.00 0.00 H new ATOM 0 HH21 ARG A 41 2.298 11.616 4.223 1.00 0.00 H new ATOM 0 HH22 ARG A 41 2.492 13.011 3.157 1.00 0.00 H new ATOM 675 N ALA A 42 -2.425 7.891 -1.514 1.00 0.00 N ATOM 676 CA ALA A 42 -2.772 7.437 -2.855 1.00 0.00 C ATOM 677 C ALA A 42 -1.613 6.683 -3.497 1.00 0.00 C ATOM 678 O ALA A 42 -0.447 6.960 -3.213 1.00 0.00 O ATOM 679 CB ALA A 42 -3.181 8.618 -3.722 1.00 0.00 C ATOM 0 H ALA A 42 -1.605 8.496 -1.473 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.615 6.751 -2.773 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.437 8.265 -4.721 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.045 9.113 -3.279 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.354 9.324 -3.789 1.00 0.00 H new ATOM 685 N ILE A 43 -1.940 5.730 -4.363 1.00 0.00 N ATOM 686 CA ILE A 43 -0.925 4.937 -5.045 1.00 0.00 C ATOM 687 C ILE A 43 -0.492 5.602 -6.347 1.00 0.00 C ATOM 688 O ILE A 43 -1.326 6.013 -7.153 1.00 0.00 O ATOM 689 CB ILE A 43 -1.432 3.516 -5.352 1.00 0.00 C ATOM 690 CG1 ILE A 43 -1.826 2.801 -4.057 1.00 0.00 C ATOM 691 CG2 ILE A 43 -0.370 2.723 -6.098 1.00 0.00 C ATOM 692 CD1 ILE A 43 -2.345 1.398 -4.276 1.00 0.00 C ATOM 0 H ILE A 43 -2.900 5.488 -4.609 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.071 4.871 -4.371 1.00 0.00 H new ATOM 0 HB ILE A 43 -2.314 3.591 -5.988 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.960 2.760 -3.396 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -2.590 3.387 -3.546 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.744 1.721 -6.307 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.133 3.225 -7.036 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.529 2.654 -5.486 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -2.605 0.952 -3.316 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.230 1.432 -4.911 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.575 0.796 -4.759 1.00 0.00 H new ATOM 704 N GLU A 44 0.819 5.702 -6.547 1.00 0.00 N ATOM 705 CA GLU A 44 1.363 6.316 -7.753 1.00 0.00 C ATOM 706 C GLU A 44 1.933 5.257 -8.693 1.00 0.00 C ATOM 707 O GLU A 44 1.777 5.344 -9.911 1.00 0.00 O ATOM 708 CB GLU A 44 2.449 7.330 -7.390 1.00 0.00 C ATOM 709 CG GLU A 44 1.905 8.616 -6.791 1.00 0.00 C ATOM 710 CD GLU A 44 1.572 9.655 -7.845 1.00 0.00 C ATOM 711 OE1 GLU A 44 2.130 9.569 -8.959 1.00 0.00 O ATOM 712 OE2 GLU A 44 0.756 10.554 -7.555 1.00 0.00 O ATOM 0 H GLU A 44 1.523 5.366 -5.890 1.00 0.00 H new ATOM 0 HA GLU A 44 0.551 6.832 -8.265 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.139 6.872 -6.681 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.024 7.570 -8.285 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.010 8.392 -6.211 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.638 9.029 -6.098 1.00 0.00 H new ATOM 719 N ASP A 45 2.595 4.259 -8.118 1.00 0.00 N ATOM 720 CA ASP A 45 3.189 3.183 -8.903 1.00 0.00 C ATOM 721 C ASP A 45 3.547 1.996 -8.014 1.00 0.00 C ATOM 722 O ASP A 45 4.204 2.154 -6.984 1.00 0.00 O ATOM 723 CB ASP A 45 4.436 3.684 -9.633 1.00 0.00 C ATOM 724 CG ASP A 45 4.682 2.945 -10.933 1.00 0.00 C ATOM 725 OD1 ASP A 45 3.839 3.056 -11.847 1.00 0.00 O ATOM 726 OD2 ASP A 45 5.718 2.254 -11.036 1.00 0.00 O ATOM 0 H ASP A 45 2.734 4.173 -7.111 1.00 0.00 H new ATOM 0 HA ASP A 45 2.455 2.855 -9.638 1.00 0.00 H new ATOM 0 HB2 ASP A 45 4.330 4.749 -9.839 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.304 3.570 -8.984 1.00 0.00 H new ATOM 731 N LEU A 46 3.110 0.809 -8.418 1.00 0.00 N ATOM 732 CA LEU A 46 3.383 -0.406 -7.658 1.00 0.00 C ATOM 733 C LEU A 46 3.598 -1.595 -8.590 1.00 0.00 C ATOM 734 O LEU A 46 3.169 -1.577 -9.744 1.00 0.00 O ATOM 735 CB LEU A 46 2.231 -0.699 -6.696 1.00 0.00 C ATOM 736 CG LEU A 46 0.998 -1.365 -7.308 1.00 0.00 C ATOM 737 CD1 LEU A 46 1.228 -2.858 -7.482 1.00 0.00 C ATOM 738 CD2 LEU A 46 -0.230 -1.110 -6.446 1.00 0.00 C ATOM 0 H LEU A 46 2.565 0.661 -9.268 1.00 0.00 H new ATOM 0 HA LEU A 46 4.296 -0.248 -7.084 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.605 -1.338 -5.897 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.921 0.239 -6.235 1.00 0.00 H new ATOM 0 HG LEU A 46 0.824 -0.928 -8.291 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.340 -3.315 -7.919 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.081 -3.020 -8.141 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.429 -3.311 -6.511 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.098 -1.591 -6.897 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.066 -1.519 -5.449 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.407 -0.037 -6.374 1.00 0.00 H new ATOM 750 N TYR A 47 4.261 -2.627 -8.080 1.00 0.00 N ATOM 751 CA TYR A 47 4.533 -3.824 -8.867 1.00 0.00 C ATOM 752 C TYR A 47 5.060 -4.949 -7.982 1.00 0.00 C ATOM 753 O TYR A 47 5.816 -4.711 -7.040 1.00 0.00 O ATOM 754 CB TYR A 47 5.543 -3.515 -9.973 1.00 0.00 C ATOM 755 CG TYR A 47 6.577 -2.484 -9.579 1.00 0.00 C ATOM 756 CD1 TYR A 47 7.504 -2.749 -8.579 1.00 0.00 C ATOM 757 CD2 TYR A 47 6.627 -1.246 -10.207 1.00 0.00 C ATOM 758 CE1 TYR A 47 8.450 -1.810 -8.215 1.00 0.00 C ATOM 759 CE2 TYR A 47 7.570 -0.301 -9.850 1.00 0.00 C ATOM 760 CZ TYR A 47 8.479 -0.588 -8.853 1.00 0.00 C ATOM 761 OH TYR A 47 9.420 0.349 -8.495 1.00 0.00 O ATOM 0 H TYR A 47 4.620 -2.659 -7.126 1.00 0.00 H new ATOM 0 HA TYR A 47 3.597 -4.150 -9.320 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.051 -4.437 -10.257 1.00 0.00 H new ATOM 0 HB3 TYR A 47 5.007 -3.162 -10.854 1.00 0.00 H new ATOM 0 HD1 TYR A 47 7.485 -3.705 -8.077 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.917 -1.018 -10.988 1.00 0.00 H new ATOM 0 HE1 TYR A 47 9.163 -2.032 -7.435 1.00 0.00 H new ATOM 0 HE2 TYR A 47 7.595 0.657 -10.349 1.00 0.00 H new ATOM 0 HH TYR A 47 9.126 0.815 -7.684 1.00 0.00 H new ATOM 771 N ARG A 48 4.655 -6.176 -8.292 1.00 0.00 N ATOM 772 CA ARG A 48 5.084 -7.340 -7.525 1.00 0.00 C ATOM 773 C ARG A 48 6.497 -7.760 -7.921 1.00 0.00 C ATOM 774 O ARG A 48 6.699 -8.399 -8.954 1.00 0.00 O ATOM 775 CB ARG A 48 4.116 -8.504 -7.739 1.00 0.00 C ATOM 776 CG ARG A 48 4.007 -8.948 -9.189 1.00 0.00 C ATOM 777 CD ARG A 48 2.740 -9.754 -9.431 1.00 0.00 C ATOM 778 NE ARG A 48 2.898 -11.152 -9.039 1.00 0.00 N ATOM 779 CZ ARG A 48 3.615 -12.032 -9.729 1.00 0.00 C ATOM 780 NH1 ARG A 48 4.237 -11.661 -10.839 1.00 0.00 N ATOM 781 NH2 ARG A 48 3.711 -13.287 -9.308 1.00 0.00 N ATOM 0 H ARG A 48 4.030 -6.390 -9.069 1.00 0.00 H new ATOM 0 HA ARG A 48 5.086 -7.068 -6.469 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.439 -9.350 -7.132 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.128 -8.214 -7.382 1.00 0.00 H new ATOM 0 HG2 ARG A 48 4.013 -8.074 -9.840 1.00 0.00 H new ATOM 0 HG3 ARG A 48 4.878 -9.548 -9.453 1.00 0.00 H new ATOM 0 HD2 ARG A 48 1.916 -9.311 -8.871 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.473 -9.701 -10.486 1.00 0.00 H new ATOM 0 HE ARG A 48 2.432 -11.470 -8.189 1.00 0.00 H new ATOM 0 HH11 ARG A 48 4.166 -10.697 -11.166 1.00 0.00 H new ATOM 0 HH12 ARG A 48 4.787 -12.339 -11.367 1.00 0.00 H new ATOM 0 HH21 ARG A 48 3.234 -13.576 -8.454 1.00 0.00 H new ATOM 0 HH22 ARG A 48 4.262 -13.962 -9.838 1.00 0.00 H new ATOM 795 N VAL A 49 7.471 -7.396 -7.093 1.00 0.00 N ATOM 796 CA VAL A 49 8.864 -7.736 -7.356 1.00 0.00 C ATOM 797 C VAL A 49 9.181 -9.154 -6.893 1.00 0.00 C ATOM 798 O VAL A 49 9.345 -9.407 -5.700 1.00 0.00 O ATOM 799 CB VAL A 49 9.823 -6.753 -6.657 1.00 0.00 C ATOM 800 CG1 VAL A 49 11.260 -7.236 -6.772 1.00 0.00 C ATOM 801 CG2 VAL A 49 9.672 -5.357 -7.241 1.00 0.00 C ATOM 0 H VAL A 49 7.321 -6.866 -6.235 1.00 0.00 H new ATOM 0 HA VAL A 49 9.008 -7.668 -8.434 1.00 0.00 H new ATOM 0 HB VAL A 49 9.564 -6.709 -5.599 1.00 0.00 H new ATOM 0 HG11 VAL A 49 11.923 -6.529 -6.273 1.00 0.00 H new ATOM 0 HG12 VAL A 49 11.353 -8.215 -6.302 1.00 0.00 H new ATOM 0 HG13 VAL A 49 11.536 -7.311 -7.824 1.00 0.00 H new ATOM 0 HG21 VAL A 49 10.356 -4.675 -6.736 1.00 0.00 H new ATOM 0 HG22 VAL A 49 9.904 -5.381 -8.306 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.647 -5.013 -7.100 1.00 0.00 H new ATOM 811 N GLY A 50 9.266 -10.076 -7.846 1.00 0.00 N ATOM 812 CA GLY A 50 9.564 -11.458 -7.517 1.00 0.00 C ATOM 813 C GLY A 50 8.510 -12.081 -6.623 1.00 0.00 C ATOM 814 O GLY A 50 7.426 -12.436 -7.086 1.00 0.00 O ATOM 0 H GLY A 50 9.134 -9.891 -8.840 1.00 0.00 H new ATOM 0 HA2 GLY A 50 9.645 -12.038 -8.436 1.00 0.00 H new ATOM 0 HA3 GLY A 50 10.533 -11.509 -7.021 1.00 0.00 H new ATOM 818 N GLU A 51 8.828 -12.215 -5.340 1.00 0.00 N ATOM 819 CA GLU A 51 7.901 -12.802 -4.380 1.00 0.00 C ATOM 820 C GLU A 51 7.432 -11.759 -3.369 1.00 0.00 C ATOM 821 O GLU A 51 7.096 -12.090 -2.232 1.00 0.00 O ATOM 822 CB GLU A 51 8.560 -13.975 -3.652 1.00 0.00 C ATOM 823 CG GLU A 51 8.831 -15.172 -4.547 1.00 0.00 C ATOM 824 CD GLU A 51 9.292 -16.390 -3.769 1.00 0.00 C ATOM 825 OE1 GLU A 51 10.436 -16.377 -3.269 1.00 0.00 O ATOM 826 OE2 GLU A 51 8.507 -17.355 -3.660 1.00 0.00 O ATOM 0 H GLU A 51 9.721 -11.925 -4.941 1.00 0.00 H new ATOM 0 HA GLU A 51 7.033 -13.167 -4.929 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.500 -13.638 -3.215 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.919 -14.286 -2.827 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.925 -15.420 -5.100 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.590 -14.906 -5.282 1.00 0.00 H new ATOM 833 N GLU A 52 7.414 -10.499 -3.792 1.00 0.00 N ATOM 834 CA GLU A 52 6.988 -9.408 -2.922 1.00 0.00 C ATOM 835 C GLU A 52 6.352 -8.283 -3.733 1.00 0.00 C ATOM 836 O GLU A 52 6.298 -8.342 -4.963 1.00 0.00 O ATOM 837 CB GLU A 52 8.178 -8.868 -2.126 1.00 0.00 C ATOM 838 CG GLU A 52 8.857 -9.915 -1.260 1.00 0.00 C ATOM 839 CD GLU A 52 9.760 -9.304 -0.206 1.00 0.00 C ATOM 840 OE1 GLU A 52 9.274 -8.462 0.577 1.00 0.00 O ATOM 841 OE2 GLU A 52 10.954 -9.670 -0.164 1.00 0.00 O ATOM 0 H GLU A 52 7.689 -10.208 -4.730 1.00 0.00 H new ATOM 0 HA GLU A 52 6.243 -9.799 -2.229 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.909 -8.452 -2.819 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.838 -8.049 -1.492 1.00 0.00 H new ATOM 0 HG2 GLU A 52 8.097 -10.526 -0.772 1.00 0.00 H new ATOM 0 HG3 GLU A 52 9.443 -10.581 -1.894 1.00 0.00 H new ATOM 848 N LEU A 53 5.870 -7.260 -3.037 1.00 0.00 N ATOM 849 CA LEU A 53 5.235 -6.121 -3.691 1.00 0.00 C ATOM 850 C LEU A 53 5.758 -4.806 -3.121 1.00 0.00 C ATOM 851 O LEU A 53 5.953 -4.675 -1.913 1.00 0.00 O ATOM 852 CB LEU A 53 3.716 -6.193 -3.526 1.00 0.00 C ATOM 853 CG LEU A 53 2.952 -6.892 -4.651 1.00 0.00 C ATOM 854 CD1 LEU A 53 1.708 -7.577 -4.106 1.00 0.00 C ATOM 855 CD2 LEU A 53 2.580 -5.897 -5.741 1.00 0.00 C ATOM 0 H LEU A 53 5.907 -7.195 -2.020 1.00 0.00 H new ATOM 0 HA LEU A 53 5.480 -6.160 -4.752 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.496 -6.707 -2.590 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.332 -5.177 -3.430 1.00 0.00 H new ATOM 0 HG LEU A 53 3.600 -7.653 -5.086 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.177 -8.069 -4.921 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.998 -8.319 -3.362 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.057 -6.835 -3.644 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.037 -6.412 -6.534 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.950 -5.114 -5.319 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.486 -5.452 -6.152 1.00 0.00 H new ATOM 867 N VAL A 54 5.980 -3.833 -3.999 1.00 0.00 N ATOM 868 CA VAL A 54 6.477 -2.527 -3.584 1.00 0.00 C ATOM 869 C VAL A 54 5.544 -1.412 -4.044 1.00 0.00 C ATOM 870 O VAL A 54 5.539 -1.036 -5.216 1.00 0.00 O ATOM 871 CB VAL A 54 7.889 -2.261 -4.138 1.00 0.00 C ATOM 872 CG1 VAL A 54 8.372 -0.878 -3.728 1.00 0.00 C ATOM 873 CG2 VAL A 54 8.857 -3.335 -3.665 1.00 0.00 C ATOM 0 H VAL A 54 5.823 -3.925 -5.003 1.00 0.00 H new ATOM 0 HA VAL A 54 6.518 -2.536 -2.495 1.00 0.00 H new ATOM 0 HB VAL A 54 7.846 -2.296 -5.227 1.00 0.00 H new ATOM 0 HG11 VAL A 54 9.371 -0.708 -4.129 1.00 0.00 H new ATOM 0 HG12 VAL A 54 7.690 -0.123 -4.121 1.00 0.00 H new ATOM 0 HG13 VAL A 54 8.401 -0.810 -2.640 1.00 0.00 H new ATOM 0 HG21 VAL A 54 9.850 -3.132 -4.066 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.898 -3.334 -2.576 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.518 -4.310 -4.014 1.00 0.00 H new ATOM 883 N VAL A 55 4.754 -0.887 -3.113 1.00 0.00 N ATOM 884 CA VAL A 55 3.817 0.186 -3.422 1.00 0.00 C ATOM 885 C VAL A 55 4.432 1.552 -3.139 1.00 0.00 C ATOM 886 O VAL A 55 5.031 1.769 -2.085 1.00 0.00 O ATOM 887 CB VAL A 55 2.514 0.045 -2.613 1.00 0.00 C ATOM 888 CG1 VAL A 55 1.659 1.295 -2.753 1.00 0.00 C ATOM 889 CG2 VAL A 55 1.744 -1.190 -3.056 1.00 0.00 C ATOM 0 H VAL A 55 4.744 -1.188 -2.138 1.00 0.00 H new ATOM 0 HA VAL A 55 3.587 0.107 -4.484 1.00 0.00 H new ATOM 0 HB VAL A 55 2.772 -0.073 -1.560 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.743 1.176 -2.174 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.213 2.158 -2.383 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.408 1.448 -3.803 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.826 -1.275 -2.474 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.496 -1.104 -4.114 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.357 -2.077 -2.898 1.00 0.00 H new ATOM 899 N HIS A 56 4.281 2.472 -4.087 1.00 0.00 N ATOM 900 CA HIS A 56 4.822 3.818 -3.939 1.00 0.00 C ATOM 901 C HIS A 56 3.709 4.821 -3.646 1.00 0.00 C ATOM 902 O HIS A 56 2.983 5.239 -4.549 1.00 0.00 O ATOM 903 CB HIS A 56 5.575 4.230 -5.204 1.00 0.00 C ATOM 904 CG HIS A 56 6.855 3.480 -5.409 1.00 0.00 C ATOM 905 ND1 HIS A 56 8.098 4.039 -5.195 1.00 0.00 N ATOM 906 CD2 HIS A 56 7.081 2.208 -5.811 1.00 0.00 C ATOM 907 CE1 HIS A 56 9.032 3.143 -5.457 1.00 0.00 C ATOM 908 NE2 HIS A 56 8.442 2.023 -5.832 1.00 0.00 N ATOM 0 H HIS A 56 3.789 2.310 -4.965 1.00 0.00 H new ATOM 0 HA HIS A 56 5.515 3.814 -3.098 1.00 0.00 H new ATOM 0 HB2 HIS A 56 4.930 4.074 -6.068 1.00 0.00 H new ATOM 0 HB3 HIS A 56 5.792 5.297 -5.157 1.00 0.00 H new ATOM 0 HD1 HIS A 56 8.269 4.995 -4.883 1.00 0.00 H new ATOM 0 HD2 HIS A 56 6.331 1.475 -6.068 1.00 0.00 H new ATOM 0 HE1 HIS A 56 10.098 3.300 -5.378 1.00 0.00 H new ATOM 916 N LEU A 57 3.581 5.202 -2.380 1.00 0.00 N ATOM 917 CA LEU A 57 2.556 6.155 -1.968 1.00 0.00 C ATOM 918 C LEU A 57 2.871 7.552 -2.492 1.00 0.00 C ATOM 919 O LEU A 57 4.018 7.863 -2.809 1.00 0.00 O ATOM 920 CB LEU A 57 2.442 6.183 -0.443 1.00 0.00 C ATOM 921 CG LEU A 57 2.142 4.844 0.233 1.00 0.00 C ATOM 922 CD1 LEU A 57 2.098 5.007 1.744 1.00 0.00 C ATOM 923 CD2 LEU A 57 0.830 4.270 -0.282 1.00 0.00 C ATOM 0 H LEU A 57 4.174 4.866 -1.621 1.00 0.00 H new ATOM 0 HA LEU A 57 1.604 5.834 -2.391 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.376 6.571 -0.036 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.657 6.889 -0.170 1.00 0.00 H new ATOM 0 HG LEU A 57 2.943 4.146 -0.013 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.883 4.044 2.208 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.061 5.374 2.099 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.318 5.720 2.010 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.632 3.317 0.209 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.019 4.965 -0.066 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.898 4.116 -1.359 1.00 0.00 H new ATOM 935 N ALA A 58 1.844 8.391 -2.577 1.00 0.00 N ATOM 936 CA ALA A 58 2.011 9.757 -3.058 1.00 0.00 C ATOM 937 C ALA A 58 2.724 10.620 -2.022 1.00 0.00 C ATOM 938 O ALA A 58 2.329 10.665 -0.858 1.00 0.00 O ATOM 939 CB ALA A 58 0.660 10.362 -3.411 1.00 0.00 C ATOM 0 H ALA A 58 0.887 8.149 -2.319 1.00 0.00 H new ATOM 0 HA ALA A 58 2.629 9.727 -3.956 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.800 11.382 -3.769 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.187 9.766 -4.191 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.024 10.372 -2.526 1.00 0.00 H new ATOM 945 N GLY A 59 3.780 11.304 -2.455 1.00 0.00 N ATOM 946 CA GLY A 59 4.532 12.156 -1.552 1.00 0.00 C ATOM 947 C GLY A 59 5.845 11.529 -1.123 1.00 0.00 C ATOM 948 O GLY A 59 6.900 12.156 -1.217 1.00 0.00 O ATOM 0 H GLY A 59 4.127 11.283 -3.414 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.731 13.111 -2.039 1.00 0.00 H new ATOM 0 HA3 GLY A 59 3.928 12.368 -0.670 1.00 0.00 H new ATOM 952 N VAL A 60 5.780 10.290 -0.648 1.00 0.00 N ATOM 953 CA VAL A 60 6.972 9.578 -0.202 1.00 0.00 C ATOM 954 C VAL A 60 7.966 9.402 -1.345 1.00 0.00 C ATOM 955 O VAL A 60 7.814 8.514 -2.184 1.00 0.00 O ATOM 956 CB VAL A 60 6.617 8.195 0.374 1.00 0.00 C ATOM 957 CG1 VAL A 60 7.874 7.464 0.820 1.00 0.00 C ATOM 958 CG2 VAL A 60 5.634 8.334 1.526 1.00 0.00 C ATOM 0 H VAL A 60 4.914 9.758 -0.562 1.00 0.00 H new ATOM 0 HA VAL A 60 7.428 10.183 0.582 1.00 0.00 H new ATOM 0 HB VAL A 60 6.141 7.605 -0.410 1.00 0.00 H new ATOM 0 HG11 VAL A 60 7.604 6.489 1.224 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.540 7.331 -0.033 1.00 0.00 H new ATOM 0 HG13 VAL A 60 8.381 8.047 1.589 1.00 0.00 H new ATOM 0 HG21 VAL A 60 5.394 7.347 1.921 1.00 0.00 H new ATOM 0 HG22 VAL A 60 6.080 8.941 2.314 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.722 8.814 1.170 1.00 0.00 H new ATOM 968 N THR A 61 8.986 10.254 -1.371 1.00 0.00 N ATOM 969 CA THR A 61 10.006 10.193 -2.411 1.00 0.00 C ATOM 970 C THR A 61 11.398 10.047 -1.807 1.00 0.00 C ATOM 971 O THR A 61 12.404 10.283 -2.477 1.00 0.00 O ATOM 972 CB THR A 61 9.974 11.448 -3.303 1.00 0.00 C ATOM 973 OG1 THR A 61 10.193 12.619 -2.509 1.00 0.00 O ATOM 974 CG2 THR A 61 8.642 11.562 -4.029 1.00 0.00 C ATOM 0 H THR A 61 9.128 10.994 -0.684 1.00 0.00 H new ATOM 0 HA THR A 61 9.784 9.317 -3.021 1.00 0.00 H new ATOM 0 HB THR A 61 10.767 11.360 -4.045 1.00 0.00 H new ATOM 0 HG1 THR A 61 10.173 13.412 -3.084 1.00 0.00 H new ATOM 0 HG21 THR A 61 8.643 12.456 -4.653 1.00 0.00 H new ATOM 0 HG22 THR A 61 8.493 10.683 -4.655 1.00 0.00 H new ATOM 0 HG23 THR A 61 7.835 11.629 -3.300 1.00 0.00 H new ATOM 982 N ASP A 62 11.450 9.656 -0.538 1.00 0.00 N ATOM 983 CA ASP A 62 12.720 9.477 0.155 1.00 0.00 C ATOM 984 C ASP A 62 12.615 8.377 1.206 1.00 0.00 C ATOM 985 O ASP A 62 11.534 8.106 1.729 1.00 0.00 O ATOM 986 CB ASP A 62 13.156 10.788 0.812 1.00 0.00 C ATOM 987 CG ASP A 62 11.998 11.526 1.455 1.00 0.00 C ATOM 988 OD1 ASP A 62 11.328 12.307 0.749 1.00 0.00 O ATOM 989 OD2 ASP A 62 11.763 11.323 2.665 1.00 0.00 O ATOM 0 H ASP A 62 10.627 9.457 0.031 1.00 0.00 H new ATOM 0 HA ASP A 62 13.469 9.182 -0.580 1.00 0.00 H new ATOM 0 HB2 ASP A 62 13.914 10.578 1.567 1.00 0.00 H new ATOM 0 HB3 ASP A 62 13.621 11.429 0.063 1.00 0.00 H new ATOM 994 N ARG A 63 13.745 7.746 1.510 1.00 0.00 N ATOM 995 CA ARG A 63 13.779 6.674 2.497 1.00 0.00 C ATOM 996 C ARG A 63 13.171 7.132 3.820 1.00 0.00 C ATOM 997 O ARG A 63 12.461 6.377 4.485 1.00 0.00 O ATOM 998 CB ARG A 63 15.217 6.203 2.721 1.00 0.00 C ATOM 999 CG ARG A 63 15.317 4.787 3.264 1.00 0.00 C ATOM 1000 CD ARG A 63 16.661 4.156 2.932 1.00 0.00 C ATOM 1001 NE ARG A 63 16.886 2.923 3.680 1.00 0.00 N ATOM 1002 CZ ARG A 63 17.717 1.965 3.285 1.00 0.00 C ATOM 1003 NH1 ARG A 63 18.398 2.098 2.155 1.00 0.00 N ATOM 1004 NH2 ARG A 63 17.869 0.871 4.020 1.00 0.00 N ATOM 0 H ARG A 63 14.648 7.959 1.087 1.00 0.00 H new ATOM 0 HA ARG A 63 13.187 5.843 2.113 1.00 0.00 H new ATOM 0 HB2 ARG A 63 15.760 6.260 1.778 1.00 0.00 H new ATOM 0 HB3 ARG A 63 15.710 6.885 3.414 1.00 0.00 H new ATOM 0 HG2 ARG A 63 15.177 4.800 4.345 1.00 0.00 H new ATOM 0 HG3 ARG A 63 14.515 4.178 2.846 1.00 0.00 H new ATOM 0 HD2 ARG A 63 16.709 3.946 1.864 1.00 0.00 H new ATOM 0 HD3 ARG A 63 17.459 4.865 3.153 1.00 0.00 H new ATOM 0 HE ARG A 63 16.377 2.790 4.554 1.00 0.00 H new ATOM 0 HH11 ARG A 63 18.284 2.937 1.587 1.00 0.00 H new ATOM 0 HH12 ARG A 63 19.035 1.361 1.854 1.00 0.00 H new ATOM 0 HH21 ARG A 63 17.347 0.765 4.890 1.00 0.00 H new ATOM 0 HH22 ARG A 63 18.508 0.136 3.715 1.00 0.00 H new ATOM 1018 N THR A 64 13.456 8.375 4.197 1.00 0.00 N ATOM 1019 CA THR A 64 12.939 8.934 5.440 1.00 0.00 C ATOM 1020 C THR A 64 11.418 8.847 5.491 1.00 0.00 C ATOM 1021 O THR A 64 10.855 8.119 6.310 1.00 0.00 O ATOM 1022 CB THR A 64 13.365 10.404 5.614 1.00 0.00 C ATOM 1023 OG1 THR A 64 14.790 10.515 5.530 1.00 0.00 O ATOM 1024 CG2 THR A 64 12.886 10.951 6.950 1.00 0.00 C ATOM 0 H THR A 64 14.042 9.013 3.659 1.00 0.00 H new ATOM 0 HA THR A 64 13.361 8.343 6.253 1.00 0.00 H new ATOM 0 HB THR A 64 12.909 10.989 4.815 1.00 0.00 H new ATOM 0 HG1 THR A 64 15.052 11.453 5.640 1.00 0.00 H new ATOM 0 HG21 THR A 64 13.198 11.990 7.051 1.00 0.00 H new ATOM 0 HG22 THR A 64 11.799 10.893 6.998 1.00 0.00 H new ATOM 0 HG23 THR A 64 13.317 10.362 7.760 1.00 0.00 H new ATOM 1032 N LEU A 65 10.758 9.594 4.613 1.00 0.00 N ATOM 1033 CA LEU A 65 9.300 9.601 4.558 1.00 0.00 C ATOM 1034 C LEU A 65 8.747 8.180 4.594 1.00 0.00 C ATOM 1035 O LEU A 65 7.765 7.903 5.282 1.00 0.00 O ATOM 1036 CB LEU A 65 8.821 10.315 3.293 1.00 0.00 C ATOM 1037 CG LEU A 65 8.906 11.841 3.310 1.00 0.00 C ATOM 1038 CD1 LEU A 65 8.643 12.406 1.923 1.00 0.00 C ATOM 1039 CD2 LEU A 65 7.923 12.419 4.319 1.00 0.00 C ATOM 0 H LEU A 65 11.209 10.202 3.930 1.00 0.00 H new ATOM 0 HA LEU A 65 8.931 10.137 5.432 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.406 9.948 2.449 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.785 10.031 3.110 1.00 0.00 H new ATOM 0 HG LEU A 65 9.914 12.126 3.611 1.00 0.00 H new ATOM 0 HD11 LEU A 65 8.708 13.494 1.955 1.00 0.00 H new ATOM 0 HD12 LEU A 65 9.386 12.019 1.225 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.647 12.111 1.593 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.997 13.506 4.318 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.909 12.124 4.049 1.00 0.00 H new ATOM 0 HD23 LEU A 65 8.158 12.041 5.314 1.00 0.00 H new ATOM 1051 N ALA A 66 9.386 7.282 3.851 1.00 0.00 N ATOM 1052 CA ALA A 66 8.961 5.889 3.801 1.00 0.00 C ATOM 1053 C ALA A 66 9.056 5.237 5.176 1.00 0.00 C ATOM 1054 O ALA A 66 8.073 4.703 5.689 1.00 0.00 O ATOM 1055 CB ALA A 66 9.796 5.118 2.790 1.00 0.00 C ATOM 0 H ALA A 66 10.200 7.495 3.275 1.00 0.00 H new ATOM 0 HA ALA A 66 7.917 5.864 3.487 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.467 4.079 2.763 1.00 0.00 H new ATOM 0 HB2 ALA A 66 9.674 5.563 1.802 1.00 0.00 H new ATOM 0 HB3 ALA A 66 10.846 5.159 3.079 1.00 0.00 H new ATOM 1061 N GLU A 67 10.246 5.283 5.767 1.00 0.00 N ATOM 1062 CA GLU A 67 10.469 4.694 7.082 1.00 0.00 C ATOM 1063 C GLU A 67 9.383 5.128 8.063 1.00 0.00 C ATOM 1064 O GLU A 67 8.943 4.345 8.905 1.00 0.00 O ATOM 1065 CB GLU A 67 11.845 5.094 7.619 1.00 0.00 C ATOM 1066 CG GLU A 67 12.958 4.147 7.204 1.00 0.00 C ATOM 1067 CD GLU A 67 14.104 4.124 8.197 1.00 0.00 C ATOM 1068 OE1 GLU A 67 13.834 4.112 9.416 1.00 0.00 O ATOM 1069 OE2 GLU A 67 15.272 4.119 7.753 1.00 0.00 O ATOM 0 H GLU A 67 11.070 5.722 5.356 1.00 0.00 H new ATOM 0 HA GLU A 67 10.429 3.610 6.977 1.00 0.00 H new ATOM 0 HB2 GLU A 67 12.084 6.098 7.269 1.00 0.00 H new ATOM 0 HB3 GLU A 67 11.803 5.137 8.707 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.553 3.140 7.098 1.00 0.00 H new ATOM 0 HG3 GLU A 67 13.336 4.443 6.225 1.00 0.00 H new ATOM 1076 N ALA A 68 8.955 6.381 7.948 1.00 0.00 N ATOM 1077 CA ALA A 68 7.921 6.919 8.822 1.00 0.00 C ATOM 1078 C ALA A 68 6.613 6.151 8.662 1.00 0.00 C ATOM 1079 O ALA A 68 5.823 6.047 9.601 1.00 0.00 O ATOM 1080 CB ALA A 68 7.705 8.398 8.537 1.00 0.00 C ATOM 0 H ALA A 68 9.309 7.043 7.257 1.00 0.00 H new ATOM 0 HA ALA A 68 8.256 6.804 9.853 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.930 8.786 9.197 1.00 0.00 H new ATOM 0 HB2 ALA A 68 8.634 8.941 8.709 1.00 0.00 H new ATOM 0 HB3 ALA A 68 7.396 8.527 7.500 1.00 0.00 H new ATOM 1086 N LEU A 69 6.389 5.617 7.466 1.00 0.00 N ATOM 1087 CA LEU A 69 5.175 4.859 7.182 1.00 0.00 C ATOM 1088 C LEU A 69 5.470 3.364 7.116 1.00 0.00 C ATOM 1089 O LEU A 69 4.705 2.595 6.533 1.00 0.00 O ATOM 1090 CB LEU A 69 4.554 5.327 5.865 1.00 0.00 C ATOM 1091 CG LEU A 69 4.062 6.774 5.832 1.00 0.00 C ATOM 1092 CD1 LEU A 69 3.605 7.151 4.431 1.00 0.00 C ATOM 1093 CD2 LEU A 69 2.936 6.978 6.835 1.00 0.00 C ATOM 0 H LEU A 69 7.032 5.695 6.678 1.00 0.00 H new ATOM 0 HA LEU A 69 4.468 5.036 7.992 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.291 5.197 5.072 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.714 4.673 5.630 1.00 0.00 H new ATOM 0 HG LEU A 69 4.891 7.425 6.109 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.258 8.184 4.427 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.438 7.045 3.736 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.791 6.494 4.125 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.598 8.014 6.797 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.105 6.317 6.589 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.297 6.750 7.838 1.00 0.00 H new ATOM 1105 N VAL A 70 6.583 2.958 7.718 1.00 0.00 N ATOM 1106 CA VAL A 70 6.977 1.554 7.730 1.00 0.00 C ATOM 1107 C VAL A 70 6.558 0.877 9.030 1.00 0.00 C ATOM 1108 O VAL A 70 6.927 1.315 10.119 1.00 0.00 O ATOM 1109 CB VAL A 70 8.499 1.397 7.550 1.00 0.00 C ATOM 1110 CG1 VAL A 70 8.950 0.016 7.999 1.00 0.00 C ATOM 1111 CG2 VAL A 70 8.893 1.652 6.103 1.00 0.00 C ATOM 0 H VAL A 70 7.228 3.581 8.204 1.00 0.00 H new ATOM 0 HA VAL A 70 6.468 1.075 6.894 1.00 0.00 H new ATOM 0 HB VAL A 70 9.000 2.137 8.174 1.00 0.00 H new ATOM 0 HG11 VAL A 70 10.028 -0.076 7.864 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.702 -0.123 9.051 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.444 -0.744 7.403 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.971 1.537 5.994 1.00 0.00 H new ATOM 0 HG22 VAL A 70 8.384 0.937 5.456 1.00 0.00 H new ATOM 0 HG23 VAL A 70 8.606 2.665 5.821 1.00 0.00 H new ATOM 1121 N GLY A 71 5.783 -0.197 8.908 1.00 0.00 N ATOM 1122 CA GLY A 71 5.326 -0.919 10.081 1.00 0.00 C ATOM 1123 C GLY A 71 3.814 -0.959 10.185 1.00 0.00 C ATOM 1124 O GLY A 71 3.245 -1.923 10.697 1.00 0.00 O ATOM 0 H GLY A 71 5.464 -0.580 8.018 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.712 -1.938 10.050 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.736 -0.450 10.975 1.00 0.00 H new ATOM 1128 N LEU A 72 3.162 0.092 9.700 1.00 0.00 N ATOM 1129 CA LEU A 72 1.706 0.174 9.741 1.00 0.00 C ATOM 1130 C LEU A 72 1.079 -0.729 8.684 1.00 0.00 C ATOM 1131 O LEU A 72 1.770 -1.249 7.808 1.00 0.00 O ATOM 1132 CB LEU A 72 1.251 1.619 9.529 1.00 0.00 C ATOM 1133 CG LEU A 72 1.709 2.629 10.582 1.00 0.00 C ATOM 1134 CD1 LEU A 72 1.437 4.050 10.114 1.00 0.00 C ATOM 1135 CD2 LEU A 72 1.018 2.362 11.912 1.00 0.00 C ATOM 0 H LEU A 72 3.618 0.899 9.274 1.00 0.00 H new ATOM 0 HA LEU A 72 1.375 -0.164 10.723 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.609 1.952 8.555 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.162 1.634 9.490 1.00 0.00 H new ATOM 0 HG LEU A 72 2.784 2.515 10.723 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.770 4.754 10.877 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.978 4.237 9.186 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.368 4.178 9.943 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.355 3.090 12.650 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.061 2.448 11.785 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.264 1.357 12.255 1.00 0.00 H new ATOM 1147 N ARG A 73 -0.235 -0.909 8.771 1.00 0.00 N ATOM 1148 CA ARG A 73 -0.956 -1.748 7.821 1.00 0.00 C ATOM 1149 C ARG A 73 -1.817 -0.899 6.890 1.00 0.00 C ATOM 1150 O ARG A 73 -2.463 0.055 7.323 1.00 0.00 O ATOM 1151 CB ARG A 73 -1.832 -2.759 8.563 1.00 0.00 C ATOM 1152 CG ARG A 73 -1.057 -3.648 9.522 1.00 0.00 C ATOM 1153 CD ARG A 73 -1.952 -4.191 10.625 1.00 0.00 C ATOM 1154 NE ARG A 73 -1.277 -5.208 11.426 1.00 0.00 N ATOM 1155 CZ ARG A 73 -1.790 -5.731 12.535 1.00 0.00 C ATOM 1156 NH1 ARG A 73 -2.978 -5.333 12.970 1.00 0.00 N ATOM 1157 NH2 ARG A 73 -1.115 -6.652 13.209 1.00 0.00 N ATOM 0 H ARG A 73 -0.822 -0.485 9.490 1.00 0.00 H new ATOM 0 HA ARG A 73 -0.223 -2.286 7.220 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.600 -2.222 9.119 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -2.346 -3.386 7.834 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -0.612 -4.477 8.972 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -0.237 -3.081 9.963 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -2.269 -3.372 11.271 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -2.854 -4.616 10.184 1.00 0.00 H new ATOM 0 HE ARG A 73 -0.361 -5.535 11.118 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -3.499 -4.625 12.453 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -3.370 -5.735 13.821 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -0.201 -6.960 12.877 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -1.510 -7.053 14.060 1.00 0.00 H new ATOM 1171 N VAL A 74 -1.821 -1.254 5.609 1.00 0.00 N ATOM 1172 CA VAL A 74 -2.602 -0.526 4.616 1.00 0.00 C ATOM 1173 C VAL A 74 -4.029 -1.058 4.542 1.00 0.00 C ATOM 1174 O VAL A 74 -4.248 -2.264 4.422 1.00 0.00 O ATOM 1175 CB VAL A 74 -1.960 -0.615 3.220 1.00 0.00 C ATOM 1176 CG1 VAL A 74 -2.713 0.258 2.228 1.00 0.00 C ATOM 1177 CG2 VAL A 74 -0.492 -0.220 3.283 1.00 0.00 C ATOM 0 H VAL A 74 -1.292 -2.042 5.234 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.621 0.517 4.932 1.00 0.00 H new ATOM 0 HB VAL A 74 -2.021 -1.648 2.877 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.244 0.182 1.247 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.748 -0.076 2.162 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.687 1.295 2.563 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.054 -0.289 2.287 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.406 0.804 3.648 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.037 -0.892 3.959 1.00 0.00 H new ATOM 1187 N TYR A 75 -4.997 -0.151 4.614 1.00 0.00 N ATOM 1188 CA TYR A 75 -6.404 -0.529 4.557 1.00 0.00 C ATOM 1189 C TYR A 75 -6.992 -0.235 3.181 1.00 0.00 C ATOM 1190 O TYR A 75 -6.557 0.688 2.492 1.00 0.00 O ATOM 1191 CB TYR A 75 -7.198 0.214 5.633 1.00 0.00 C ATOM 1192 CG TYR A 75 -7.019 -0.358 7.021 1.00 0.00 C ATOM 1193 CD1 TYR A 75 -5.818 -0.214 7.704 1.00 0.00 C ATOM 1194 CD2 TYR A 75 -8.053 -1.040 7.651 1.00 0.00 C ATOM 1195 CE1 TYR A 75 -5.650 -0.736 8.972 1.00 0.00 C ATOM 1196 CE2 TYR A 75 -7.894 -1.564 8.919 1.00 0.00 C ATOM 1197 CZ TYR A 75 -6.691 -1.410 9.576 1.00 0.00 C ATOM 1198 OH TYR A 75 -6.529 -1.929 10.839 1.00 0.00 O ATOM 0 H TYR A 75 -4.833 0.851 4.712 1.00 0.00 H new ATOM 0 HA TYR A 75 -6.473 -1.601 4.740 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -6.895 1.261 5.639 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -8.256 0.190 5.373 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -5.001 0.315 7.236 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -8.997 -1.162 7.141 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -4.709 -0.617 9.488 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -8.708 -2.092 9.394 1.00 0.00 H new ATOM 0 HH TYR A 75 -7.357 -2.372 11.119 1.00 0.00 H new ATOM 1208 N ALA A 76 -7.985 -1.026 2.787 1.00 0.00 N ATOM 1209 CA ALA A 76 -8.635 -0.850 1.495 1.00 0.00 C ATOM 1210 C ALA A 76 -10.128 -0.586 1.663 1.00 0.00 C ATOM 1211 O ALA A 76 -10.713 -0.917 2.693 1.00 0.00 O ATOM 1212 CB ALA A 76 -8.409 -2.073 0.619 1.00 0.00 C ATOM 0 H ALA A 76 -8.356 -1.795 3.345 1.00 0.00 H new ATOM 0 HA ALA A 76 -8.191 0.019 1.008 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -8.900 -1.927 -0.343 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -7.340 -2.216 0.462 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -8.825 -2.953 1.109 1.00 0.00 H new ATOM 1218 N GLU A 77 -10.737 0.012 0.644 1.00 0.00 N ATOM 1219 CA GLU A 77 -12.161 0.321 0.681 1.00 0.00 C ATOM 1220 C GLU A 77 -12.907 -0.417 -0.427 1.00 0.00 C ATOM 1221 O GLU A 77 -12.683 -0.171 -1.612 1.00 0.00 O ATOM 1222 CB GLU A 77 -12.382 1.829 0.543 1.00 0.00 C ATOM 1223 CG GLU A 77 -13.650 2.323 1.220 1.00 0.00 C ATOM 1224 CD GLU A 77 -14.045 3.717 0.773 1.00 0.00 C ATOM 1225 OE1 GLU A 77 -13.836 4.041 -0.415 1.00 0.00 O ATOM 1226 OE2 GLU A 77 -14.562 4.484 1.612 1.00 0.00 O ATOM 0 H GLU A 77 -10.267 0.292 -0.217 1.00 0.00 H new ATOM 0 HA GLU A 77 -12.554 -0.010 1.642 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -11.526 2.353 0.967 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.421 2.087 -0.515 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -14.465 1.632 1.005 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -13.506 2.319 2.300 1.00 0.00 H new ATOM 1233 N VAL A 78 -13.796 -1.324 -0.032 1.00 0.00 N ATOM 1234 CA VAL A 78 -14.576 -2.098 -0.990 1.00 0.00 C ATOM 1235 C VAL A 78 -15.263 -1.188 -2.002 1.00 0.00 C ATOM 1236 O VAL A 78 -15.472 -1.569 -3.153 1.00 0.00 O ATOM 1237 CB VAL A 78 -15.641 -2.957 -0.282 1.00 0.00 C ATOM 1238 CG1 VAL A 78 -16.355 -3.852 -1.283 1.00 0.00 C ATOM 1239 CG2 VAL A 78 -15.007 -3.783 0.827 1.00 0.00 C ATOM 0 H VAL A 78 -13.993 -1.540 0.945 1.00 0.00 H new ATOM 0 HA VAL A 78 -13.878 -2.754 -1.511 1.00 0.00 H new ATOM 0 HB VAL A 78 -16.380 -2.293 0.168 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -17.104 -4.452 -0.765 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -16.842 -3.236 -2.039 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -15.631 -4.511 -1.763 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -15.773 -4.384 1.317 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -14.247 -4.439 0.403 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -14.545 -3.118 1.557 1.00 0.00 H new ATOM 1249 N ALA A 79 -15.612 0.017 -1.564 1.00 0.00 N ATOM 1250 CA ALA A 79 -16.273 0.983 -2.433 1.00 0.00 C ATOM 1251 C ALA A 79 -15.600 1.045 -3.799 1.00 0.00 C ATOM 1252 O ALA A 79 -16.242 1.346 -4.805 1.00 0.00 O ATOM 1253 CB ALA A 79 -16.280 2.359 -1.783 1.00 0.00 C ATOM 0 H ALA A 79 -15.448 0.348 -0.613 1.00 0.00 H new ATOM 0 HA ALA A 79 -17.303 0.657 -2.580 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -16.777 3.071 -2.443 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -16.814 2.310 -0.834 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -15.254 2.683 -1.606 1.00 0.00 H new ATOM 1259 N ASP A 80 -14.303 0.757 -3.828 1.00 0.00 N ATOM 1260 CA ASP A 80 -13.542 0.779 -5.071 1.00 0.00 C ATOM 1261 C ASP A 80 -13.415 -0.624 -5.655 1.00 0.00 C ATOM 1262 O ASP A 80 -13.530 -0.817 -6.867 1.00 0.00 O ATOM 1263 CB ASP A 80 -12.153 1.374 -4.834 1.00 0.00 C ATOM 1264 CG ASP A 80 -11.317 1.416 -6.098 1.00 0.00 C ATOM 1265 OD1 ASP A 80 -10.869 0.341 -6.548 1.00 0.00 O ATOM 1266 OD2 ASP A 80 -11.111 2.523 -6.637 1.00 0.00 O ATOM 0 H ASP A 80 -13.757 0.505 -3.004 1.00 0.00 H new ATOM 0 HA ASP A 80 -14.079 1.403 -5.785 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -12.257 2.384 -4.437 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -11.633 0.786 -4.078 1.00 0.00 H new ATOM 1271 N LEU A 81 -13.174 -1.601 -4.787 1.00 0.00 N ATOM 1272 CA LEU A 81 -13.030 -2.988 -5.217 1.00 0.00 C ATOM 1273 C LEU A 81 -14.128 -3.369 -6.205 1.00 0.00 C ATOM 1274 O LEU A 81 -15.220 -2.801 -6.206 1.00 0.00 O ATOM 1275 CB LEU A 81 -13.069 -3.923 -4.007 1.00 0.00 C ATOM 1276 CG LEU A 81 -11.858 -3.866 -3.075 1.00 0.00 C ATOM 1277 CD1 LEU A 81 -11.996 -4.887 -1.957 1.00 0.00 C ATOM 1278 CD2 LEU A 81 -10.572 -4.098 -3.856 1.00 0.00 C ATOM 0 H LEU A 81 -13.074 -1.459 -3.782 1.00 0.00 H new ATOM 0 HA LEU A 81 -12.067 -3.090 -5.717 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -13.961 -3.694 -3.425 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -13.177 -4.946 -4.367 1.00 0.00 H new ATOM 0 HG LEU A 81 -11.814 -2.873 -2.628 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -11.125 -4.832 -1.304 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -12.896 -4.675 -1.380 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -12.066 -5.887 -2.384 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.721 -4.054 -3.177 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.607 -5.078 -4.331 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.467 -3.328 -4.620 1.00 0.00 H new ATOM 1290 N PRO A 82 -13.834 -4.356 -7.064 1.00 0.00 N ATOM 1291 CA PRO A 82 -14.784 -4.838 -8.071 1.00 0.00 C ATOM 1292 C PRO A 82 -15.953 -5.594 -7.450 1.00 0.00 C ATOM 1293 O PRO A 82 -15.872 -6.100 -6.330 1.00 0.00 O ATOM 1294 CB PRO A 82 -13.939 -5.776 -8.936 1.00 0.00 C ATOM 1295 CG PRO A 82 -12.840 -6.232 -8.039 1.00 0.00 C ATOM 1296 CD PRO A 82 -12.552 -5.078 -7.119 1.00 0.00 C ATOM 0 HA PRO A 82 -15.239 -4.018 -8.627 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -14.528 -6.618 -9.299 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -13.546 -5.260 -9.812 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -13.138 -7.116 -7.475 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -11.954 -6.504 -8.614 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -12.241 -5.419 -6.132 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -11.752 -4.447 -7.505 1.00 0.00 H new ATOM 1304 N PRO A 83 -17.068 -5.676 -8.192 1.00 0.00 N ATOM 1305 CA PRO A 83 -18.275 -6.370 -7.734 1.00 0.00 C ATOM 1306 C PRO A 83 -18.086 -7.882 -7.675 1.00 0.00 C ATOM 1307 O PRO A 83 -17.261 -8.444 -8.396 1.00 0.00 O ATOM 1308 CB PRO A 83 -19.319 -6.002 -8.791 1.00 0.00 C ATOM 1309 CG PRO A 83 -18.526 -5.698 -10.016 1.00 0.00 C ATOM 1310 CD PRO A 83 -17.235 -5.096 -9.535 1.00 0.00 C ATOM 0 HA PRO A 83 -18.554 -6.078 -6.721 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -20.015 -6.823 -8.963 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -19.912 -5.142 -8.479 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -18.343 -6.602 -10.596 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -19.061 -5.005 -10.666 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -16.403 -5.353 -10.190 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -17.288 -4.008 -9.499 1.00 0.00 H new ATOM 1318 N LEU A 84 -18.857 -8.536 -6.813 1.00 0.00 N ATOM 1319 CA LEU A 84 -18.775 -9.985 -6.660 1.00 0.00 C ATOM 1320 C LEU A 84 -19.168 -10.692 -7.953 1.00 0.00 C ATOM 1321 O LEU A 84 -18.825 -11.854 -8.165 1.00 0.00 O ATOM 1322 CB LEU A 84 -19.680 -10.449 -5.517 1.00 0.00 C ATOM 1323 CG LEU A 84 -19.046 -10.472 -4.126 1.00 0.00 C ATOM 1324 CD1 LEU A 84 -18.102 -11.657 -3.989 1.00 0.00 C ATOM 1325 CD2 LEU A 84 -18.311 -9.168 -3.853 1.00 0.00 C ATOM 0 H LEU A 84 -19.546 -8.086 -6.210 1.00 0.00 H new ATOM 0 HA LEU A 84 -17.742 -10.243 -6.426 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -20.554 -9.798 -5.485 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -20.038 -11.452 -5.748 1.00 0.00 H new ATOM 0 HG LEU A 84 -19.840 -10.579 -3.388 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -17.660 -11.657 -2.993 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -18.656 -12.583 -4.140 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -17.312 -11.581 -4.736 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -17.866 -9.202 -2.859 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -17.526 -9.030 -4.597 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -19.013 -8.336 -3.908 1.00 0.00 H new ATOM 1337 N GLU A 85 -19.886 -9.980 -8.816 1.00 0.00 N ATOM 1338 CA GLU A 85 -20.324 -10.540 -10.090 1.00 0.00 C ATOM 1339 C GLU A 85 -19.385 -10.123 -11.218 1.00 0.00 C ATOM 1340 O GLU A 85 -18.632 -9.158 -11.088 1.00 0.00 O ATOM 1341 CB GLU A 85 -21.751 -10.090 -10.407 1.00 0.00 C ATOM 1342 CG GLU A 85 -21.889 -8.588 -10.592 1.00 0.00 C ATOM 1343 CD GLU A 85 -23.198 -8.199 -11.251 1.00 0.00 C ATOM 1344 OE1 GLU A 85 -24.215 -8.877 -10.996 1.00 0.00 O ATOM 1345 OE2 GLU A 85 -23.205 -7.216 -12.021 1.00 0.00 O ATOM 0 H GLU A 85 -20.177 -9.015 -8.657 1.00 0.00 H new ATOM 0 HA GLU A 85 -20.304 -11.627 -10.006 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -22.088 -10.592 -11.314 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -22.411 -10.410 -9.601 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -21.816 -8.098 -9.621 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -21.059 -8.223 -11.197 1.00 0.00 H new TER 1352 GLU A 85