USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 407 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 32 THR OG1 : rot 180:sc= -0.224 USER MOD Set 1.2: A 37 GLN : amide:sc= -5.47! K(o=-5.7!,f=0.03) USER MOD Set 2.1: A 19 GLN : amide:sc= -2.85 K(o=-2.9,f=-1.3!) USER MOD Set 2.2: A 47 LYS NZ :NH3+ 153:sc= -0.0688 (180deg=0) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 63:sc= 0.319 USER MOD Single : A 42 ASN : amide:sc= -3.09 X(o=-3.1,f=-2.9!) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -6.11! K(o=-6.1!,f=-1.4) USER MOD Single : A 53 ASN : amide:sc= -3.51! K(o=-3.5!,f=-1.7) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -1.57! K(o=-1.6!,f=0.34) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 18 17.714 1.700 -1.165 1.00 0.00 N ATOM 2 CA CYS A 18 16.616 0.950 -1.772 1.00 0.00 C ATOM 3 C CYS A 18 16.884 -0.514 -1.552 1.00 0.00 C ATOM 4 O CYS A 18 17.991 -1.006 -1.810 1.00 0.00 O ATOM 5 CB CYS A 18 16.451 1.173 -3.290 1.00 0.00 C ATOM 6 SG CYS A 18 16.593 2.906 -3.846 1.00 0.00 S ATOM 0 HA CYS A 18 15.698 1.302 -1.301 1.00 0.00 H new ATOM 0 HB2 CYS A 18 17.202 0.579 -3.811 1.00 0.00 H new ATOM 0 HB3 CYS A 18 15.476 0.791 -3.593 1.00 0.00 H new ATOM 11 N GLN A 19 15.874 -1.200 -1.065 1.00 0.00 N ATOM 12 CA GLN A 19 15.954 -2.618 -0.821 1.00 0.00 C ATOM 13 C GLN A 19 14.716 -3.282 -1.413 1.00 0.00 C ATOM 14 O GLN A 19 13.601 -3.153 -0.897 1.00 0.00 O ATOM 15 CB GLN A 19 16.158 -2.880 0.691 1.00 0.00 C ATOM 16 CG GLN A 19 15.377 -1.956 1.641 1.00 0.00 C ATOM 17 CD GLN A 19 14.183 -2.628 2.287 1.00 0.00 C ATOM 18 OE1 GLN A 19 14.306 -3.251 3.342 1.00 0.00 O ATOM 19 NE2 GLN A 19 13.018 -2.492 1.672 1.00 0.00 N ATOM 0 H GLN A 19 14.972 -0.786 -0.827 1.00 0.00 H new ATOM 0 HA GLN A 19 16.818 -3.063 -1.313 1.00 0.00 H new ATOM 0 HB2 GLN A 19 15.875 -3.911 0.903 1.00 0.00 H new ATOM 0 HB3 GLN A 19 17.220 -2.788 0.917 1.00 0.00 H new ATOM 0 HG2 GLN A 19 16.049 -1.597 2.421 1.00 0.00 H new ATOM 0 HG3 GLN A 19 15.036 -1.081 1.087 1.00 0.00 H new ATOM 0 HE21 GLN A 19 12.960 -1.967 0.799 1.00 0.00 H new ATOM 0 HE22 GLN A 19 12.178 -2.912 2.071 1.00 0.00 H new ATOM 28 N LEU A 20 14.947 -3.973 -2.527 1.00 0.00 N ATOM 29 CA LEU A 20 13.889 -4.652 -3.261 1.00 0.00 C ATOM 30 C LEU A 20 13.906 -6.173 -3.059 1.00 0.00 C ATOM 31 O LEU A 20 14.692 -6.911 -3.668 1.00 0.00 O ATOM 32 CB LEU A 20 13.976 -4.273 -4.772 1.00 0.00 C ATOM 33 CG LEU A 20 12.712 -4.477 -5.673 1.00 0.00 C ATOM 34 CD1 LEU A 20 12.629 -5.908 -6.196 1.00 0.00 C ATOM 35 CD2 LEU A 20 11.412 -4.101 -4.959 1.00 0.00 C ATOM 0 H LEU A 20 15.872 -4.076 -2.943 1.00 0.00 H new ATOM 0 HA LEU A 20 12.934 -4.313 -2.861 1.00 0.00 H new ATOM 0 HB2 LEU A 20 14.259 -3.222 -4.833 1.00 0.00 H new ATOM 0 HB3 LEU A 20 14.791 -4.849 -5.211 1.00 0.00 H new ATOM 0 HG LEU A 20 12.829 -3.798 -6.518 1.00 0.00 H new ATOM 0 HD11 LEU A 20 11.741 -6.017 -6.818 1.00 0.00 H new ATOM 0 HD12 LEU A 20 13.516 -6.131 -6.788 1.00 0.00 H new ATOM 0 HD13 LEU A 20 12.571 -6.600 -5.356 1.00 0.00 H new ATOM 0 HD21 LEU A 20 10.568 -4.262 -5.630 1.00 0.00 H new ATOM 0 HD22 LEU A 20 11.292 -4.721 -4.071 1.00 0.00 H new ATOM 0 HD23 LEU A 20 11.448 -3.052 -4.667 1.00 0.00 H new ATOM 47 N PHE A 21 13.025 -6.593 -2.156 1.00 0.00 N ATOM 48 CA PHE A 21 12.764 -8.006 -1.839 1.00 0.00 C ATOM 49 C PHE A 21 11.260 -8.140 -1.542 1.00 0.00 C ATOM 50 O PHE A 21 10.792 -7.824 -0.440 1.00 0.00 O ATOM 51 CB PHE A 21 13.675 -8.541 -0.688 1.00 0.00 C ATOM 52 CG PHE A 21 13.540 -7.868 0.666 1.00 0.00 C ATOM 53 CD1 PHE A 21 14.166 -6.657 0.930 1.00 0.00 C ATOM 54 CD2 PHE A 21 12.792 -8.462 1.675 1.00 0.00 C ATOM 55 CE1 PHE A 21 14.049 -6.058 2.169 1.00 0.00 C ATOM 56 CE2 PHE A 21 12.671 -7.862 2.912 1.00 0.00 C ATOM 57 CZ PHE A 21 13.300 -6.660 3.160 1.00 0.00 C ATOM 0 H PHE A 21 12.455 -5.949 -1.607 1.00 0.00 H new ATOM 0 HA PHE A 21 13.022 -8.638 -2.689 1.00 0.00 H new ATOM 0 HB2 PHE A 21 13.470 -9.604 -0.560 1.00 0.00 H new ATOM 0 HB3 PHE A 21 14.713 -8.453 -1.008 1.00 0.00 H new ATOM 0 HD1 PHE A 21 14.751 -6.178 0.158 1.00 0.00 H new ATOM 0 HD2 PHE A 21 12.299 -9.405 1.489 1.00 0.00 H new ATOM 0 HE1 PHE A 21 14.544 -5.118 2.363 1.00 0.00 H new ATOM 0 HE2 PHE A 21 12.084 -8.334 3.686 1.00 0.00 H new ATOM 0 HZ PHE A 21 13.207 -6.190 4.128 1.00 0.00 H new ATOM 67 N CYS A 22 10.500 -8.565 -2.561 1.00 0.00 N ATOM 68 CA CYS A 22 9.040 -8.655 -2.454 1.00 0.00 C ATOM 69 C CYS A 22 8.508 -10.078 -2.187 1.00 0.00 C ATOM 70 O CYS A 22 8.588 -10.944 -3.069 1.00 0.00 O ATOM 71 CB CYS A 22 8.390 -8.088 -3.726 1.00 0.00 C ATOM 72 SG CYS A 22 8.849 -6.365 -4.144 1.00 0.00 S ATOM 0 H CYS A 22 10.873 -8.851 -3.466 1.00 0.00 H new ATOM 0 HA CYS A 22 8.767 -8.064 -1.580 1.00 0.00 H new ATOM 0 HB2 CYS A 22 8.655 -8.730 -4.566 1.00 0.00 H new ATOM 0 HB3 CYS A 22 7.307 -8.140 -3.614 1.00 0.00 H new ATOM 77 N PRO A 23 7.972 -10.358 -0.944 1.00 0.00 N ATOM 78 CA PRO A 23 7.351 -11.665 -0.614 1.00 0.00 C ATOM 79 C PRO A 23 5.929 -11.767 -1.199 1.00 0.00 C ATOM 80 O PRO A 23 5.306 -10.732 -1.473 1.00 0.00 O ATOM 81 CB PRO A 23 7.288 -11.670 0.928 1.00 0.00 C ATOM 82 CG PRO A 23 8.060 -10.471 1.380 1.00 0.00 C ATOM 83 CD PRO A 23 7.996 -9.478 0.254 1.00 0.00 C ATOM 0 HA PRO A 23 7.914 -12.503 -1.024 1.00 0.00 H new ATOM 0 HB2 PRO A 23 6.256 -11.623 1.276 1.00 0.00 H new ATOM 0 HB3 PRO A 23 7.719 -12.586 1.332 1.00 0.00 H new ATOM 0 HG2 PRO A 23 7.631 -10.054 2.291 1.00 0.00 H new ATOM 0 HG3 PRO A 23 9.093 -10.736 1.606 1.00 0.00 H new ATOM 0 HD2 PRO A 23 7.107 -8.850 0.315 1.00 0.00 H new ATOM 0 HD3 PRO A 23 8.858 -8.811 0.251 1.00 0.00 H new ATOM 91 N MET A 24 5.412 -12.995 -1.385 1.00 0.00 N ATOM 92 CA MET A 24 4.062 -13.171 -1.953 1.00 0.00 C ATOM 93 C MET A 24 2.986 -13.313 -0.859 1.00 0.00 C ATOM 94 O MET A 24 2.686 -14.415 -0.378 1.00 0.00 O ATOM 95 CB MET A 24 4.019 -14.353 -2.960 1.00 0.00 C ATOM 96 CG MET A 24 4.658 -15.665 -2.481 1.00 0.00 C ATOM 97 SD MET A 24 4.603 -16.972 -3.725 1.00 0.00 S ATOM 98 CE MET A 24 6.083 -16.620 -4.676 1.00 0.00 C ATOM 0 H MET A 24 5.896 -13.863 -1.156 1.00 0.00 H new ATOM 0 HA MET A 24 3.828 -12.262 -2.507 1.00 0.00 H new ATOM 0 HB2 MET A 24 2.978 -14.550 -3.215 1.00 0.00 H new ATOM 0 HB3 MET A 24 4.518 -14.042 -3.878 1.00 0.00 H new ATOM 0 HG2 MET A 24 5.696 -15.478 -2.205 1.00 0.00 H new ATOM 0 HG3 MET A 24 4.145 -16.005 -1.582 1.00 0.00 H new ATOM 0 HE1 MET A 24 6.180 -17.348 -5.481 1.00 0.00 H new ATOM 0 HE2 MET A 24 6.014 -15.618 -5.099 1.00 0.00 H new ATOM 0 HE3 MET A 24 6.956 -16.680 -4.026 1.00 0.00 H new ATOM 108 N ILE A 25 2.435 -12.151 -0.474 1.00 0.00 N ATOM 109 CA ILE A 25 1.368 -12.023 0.543 1.00 0.00 C ATOM 110 C ILE A 25 0.538 -10.773 0.189 1.00 0.00 C ATOM 111 O ILE A 25 1.060 -9.849 -0.445 1.00 0.00 O ATOM 112 CB ILE A 25 1.939 -11.902 2.025 1.00 0.00 C ATOM 113 CG1 ILE A 25 2.683 -13.177 2.464 1.00 0.00 C ATOM 114 CG2 ILE A 25 0.843 -11.616 3.058 1.00 0.00 C ATOM 115 CD1 ILE A 25 4.190 -13.083 2.358 1.00 0.00 C ATOM 0 H ILE A 25 2.721 -11.254 -0.866 1.00 0.00 H new ATOM 0 HA ILE A 25 0.757 -12.926 0.528 1.00 0.00 H new ATOM 0 HB ILE A 25 2.631 -11.061 1.992 1.00 0.00 H new ATOM 0 HG12 ILE A 25 2.416 -13.403 3.496 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.339 -14.013 1.855 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.288 -11.544 4.050 1.00 0.00 H new ATOM 0 HG22 ILE A 25 0.348 -10.676 2.813 1.00 0.00 H new ATOM 0 HG23 ILE A 25 0.112 -12.425 3.046 1.00 0.00 H new ATOM 0 HD11 ILE A 25 4.637 -14.021 2.686 1.00 0.00 H new ATOM 0 HD12 ILE A 25 4.471 -12.890 1.323 1.00 0.00 H new ATOM 0 HD13 ILE A 25 4.549 -12.270 2.989 1.00 0.00 H new ATOM 127 N TYR A 26 -0.751 -10.756 0.564 1.00 0.00 N ATOM 128 CA TYR A 26 -1.600 -9.592 0.303 1.00 0.00 C ATOM 129 C TYR A 26 -1.868 -8.842 1.606 1.00 0.00 C ATOM 130 O TYR A 26 -2.721 -9.218 2.423 1.00 0.00 O ATOM 131 CB TYR A 26 -2.890 -10.010 -0.411 1.00 0.00 C ATOM 132 CG TYR A 26 -3.723 -8.866 -0.975 1.00 0.00 C ATOM 133 CD1 TYR A 26 -3.503 -8.388 -2.263 1.00 0.00 C ATOM 134 CD2 TYR A 26 -4.727 -8.270 -0.219 1.00 0.00 C ATOM 135 CE1 TYR A 26 -4.258 -7.352 -2.780 1.00 0.00 C ATOM 136 CE2 TYR A 26 -5.488 -7.235 -0.730 1.00 0.00 C ATOM 137 CZ TYR A 26 -5.249 -6.780 -2.010 1.00 0.00 C ATOM 138 OH TYR A 26 -6.003 -5.748 -2.520 1.00 0.00 O ATOM 0 H TYR A 26 -1.219 -11.526 1.042 1.00 0.00 H new ATOM 0 HA TYR A 26 -1.081 -8.908 -0.368 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -2.632 -10.686 -1.226 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -3.506 -10.575 0.288 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -2.729 -8.834 -2.869 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -4.915 -8.622 0.785 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -4.073 -6.992 -3.781 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -6.265 -6.785 -0.130 1.00 0.00 H new ATOM 0 HH TYR A 26 -6.658 -5.459 -1.850 1.00 0.00 H new ATOM 148 N ALA A 27 -1.079 -7.787 1.772 1.00 0.00 N ATOM 149 CA ALA A 27 -1.131 -6.909 2.947 1.00 0.00 C ATOM 150 C ALA A 27 -1.147 -5.419 2.535 1.00 0.00 C ATOM 151 O ALA A 27 -0.146 -4.932 1.991 1.00 0.00 O ATOM 152 CB ALA A 27 0.046 -7.194 3.881 1.00 0.00 C ATOM 0 H ALA A 27 -0.374 -7.509 1.089 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.059 -7.118 3.480 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.008 -6.534 4.747 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.005 -8.232 4.212 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.982 -7.020 3.350 1.00 0.00 H new ATOM 158 N PRO A 28 -2.274 -4.653 2.764 1.00 0.00 N ATOM 159 CA PRO A 28 -2.337 -3.212 2.420 1.00 0.00 C ATOM 160 C PRO A 28 -1.520 -2.334 3.382 1.00 0.00 C ATOM 161 O PRO A 28 -1.578 -2.521 4.603 1.00 0.00 O ATOM 162 CB PRO A 28 -3.837 -2.863 2.535 1.00 0.00 C ATOM 163 CG PRO A 28 -4.549 -4.169 2.666 1.00 0.00 C ATOM 164 CD PRO A 28 -3.575 -5.113 3.310 1.00 0.00 C ATOM 0 HA PRO A 28 -1.916 -3.027 1.432 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -4.025 -2.226 3.400 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -4.180 -2.317 1.656 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -5.448 -4.063 3.273 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -4.864 -4.540 1.691 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -3.605 -5.047 4.398 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -3.781 -6.151 3.048 1.00 0.00 H new ATOM 172 N ILE A 29 -0.757 -1.388 2.814 1.00 0.00 N ATOM 173 CA ILE A 29 0.077 -0.469 3.606 1.00 0.00 C ATOM 174 C ILE A 29 -0.265 1.005 3.298 1.00 0.00 C ATOM 175 O ILE A 29 -0.507 1.363 2.141 1.00 0.00 O ATOM 176 CB ILE A 29 1.613 -0.770 3.398 1.00 0.00 C ATOM 177 CG1 ILE A 29 2.498 0.080 4.340 1.00 0.00 C ATOM 178 CG2 ILE A 29 2.049 -0.576 1.936 1.00 0.00 C ATOM 179 CD1 ILE A 29 3.615 -0.696 5.011 1.00 0.00 C ATOM 0 H ILE A 29 -0.700 -1.239 1.807 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.147 -0.638 4.659 1.00 0.00 H new ATOM 0 HB ILE A 29 1.755 -1.820 3.653 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.933 0.901 3.769 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.867 0.525 5.109 1.00 0.00 H new ATOM 0 HG21 ILE A 29 3.113 -0.794 1.842 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.482 -1.251 1.295 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.862 0.455 1.634 1.00 0.00 H new ATOM 0 HD11 ILE A 29 4.188 -0.027 5.654 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.190 -1.500 5.611 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.272 -1.119 4.251 1.00 0.00 H new ATOM 191 N CYS A 30 -0.274 1.836 4.358 1.00 0.00 N ATOM 192 CA CYS A 30 -0.579 3.266 4.229 1.00 0.00 C ATOM 193 C CYS A 30 0.675 4.114 4.438 1.00 0.00 C ATOM 194 O CYS A 30 1.473 3.846 5.344 1.00 0.00 O ATOM 195 CB CYS A 30 -1.649 3.660 5.248 1.00 0.00 C ATOM 196 SG CYS A 30 -2.803 4.941 4.662 1.00 0.00 S ATOM 0 H CYS A 30 -0.073 1.537 5.312 1.00 0.00 H new ATOM 0 HA CYS A 30 -0.951 3.449 3.221 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -2.218 2.772 5.522 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.158 4.016 6.154 1.00 0.00 H new ATOM 201 N ALA A 31 0.835 5.137 3.581 1.00 0.00 N ATOM 202 CA ALA A 31 1.973 6.058 3.632 1.00 0.00 C ATOM 203 C ALA A 31 1.520 7.462 3.253 1.00 0.00 C ATOM 204 O ALA A 31 0.837 7.643 2.238 1.00 0.00 O ATOM 205 CB ALA A 31 3.089 5.597 2.706 1.00 0.00 C ATOM 0 H ALA A 31 0.174 5.345 2.833 1.00 0.00 H new ATOM 0 HA ALA A 31 2.362 6.069 4.650 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.922 6.298 2.763 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.427 4.606 3.009 1.00 0.00 H new ATOM 0 HB3 ALA A 31 2.718 5.556 1.682 1.00 0.00 H new ATOM 211 N THR A 32 1.931 8.449 4.050 1.00 0.00 N ATOM 212 CA THR A 32 1.540 9.845 3.827 1.00 0.00 C ATOM 213 C THR A 32 2.757 10.760 3.685 1.00 0.00 C ATOM 214 O THR A 32 3.693 10.698 4.489 1.00 0.00 O ATOM 215 CB THR A 32 0.596 10.390 4.955 1.00 0.00 C ATOM 216 OG1 THR A 32 0.266 11.766 4.707 1.00 0.00 O ATOM 217 CG2 THR A 32 1.196 10.275 6.364 1.00 0.00 C ATOM 0 H THR A 32 2.537 8.309 4.859 1.00 0.00 H new ATOM 0 HA THR A 32 0.985 9.852 2.889 1.00 0.00 H new ATOM 0 HB THR A 32 -0.296 9.764 4.925 1.00 0.00 H new ATOM 0 HG1 THR A 32 -0.325 12.094 5.417 1.00 0.00 H new ATOM 0 HG21 THR A 32 0.489 10.670 7.094 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.401 9.228 6.588 1.00 0.00 H new ATOM 0 HG23 THR A 32 2.124 10.845 6.412 1.00 0.00 H new ATOM 225 N ASP A 33 2.718 11.598 2.651 1.00 0.00 N ATOM 226 CA ASP A 33 3.786 12.580 2.397 1.00 0.00 C ATOM 227 C ASP A 33 3.314 14.012 2.763 1.00 0.00 C ATOM 228 O ASP A 33 3.833 15.008 2.236 1.00 0.00 O ATOM 229 CB ASP A 33 4.218 12.497 0.923 1.00 0.00 C ATOM 230 CG ASP A 33 5.671 12.896 0.714 1.00 0.00 C ATOM 231 OD1 ASP A 33 6.550 12.017 0.830 1.00 0.00 O ATOM 232 OD2 ASP A 33 5.926 14.086 0.435 1.00 0.00 O ATOM 0 H ASP A 33 1.959 11.621 1.970 1.00 0.00 H new ATOM 0 HA ASP A 33 4.644 12.348 3.028 1.00 0.00 H new ATOM 0 HB2 ASP A 33 4.069 11.479 0.562 1.00 0.00 H new ATOM 0 HB3 ASP A 33 3.578 13.145 0.324 1.00 0.00 H new ATOM 237 N GLY A 34 2.347 14.097 3.701 1.00 0.00 N ATOM 238 CA GLY A 34 1.770 15.388 4.118 1.00 0.00 C ATOM 239 C GLY A 34 0.457 15.647 3.392 1.00 0.00 C ATOM 240 O GLY A 34 -0.456 16.299 3.908 1.00 0.00 O ATOM 0 H GLY A 34 1.952 13.288 4.181 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.602 15.387 5.195 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.474 16.193 3.906 1.00 0.00 H new ATOM 244 N VAL A 35 0.419 15.105 2.176 1.00 0.00 N ATOM 245 CA VAL A 35 -0.715 15.137 1.247 1.00 0.00 C ATOM 246 C VAL A 35 -1.550 13.859 1.456 1.00 0.00 C ATOM 247 O VAL A 35 -1.113 12.951 2.176 1.00 0.00 O ATOM 248 CB VAL A 35 -0.245 15.316 -0.256 1.00 0.00 C ATOM 249 CG1 VAL A 35 1.077 14.601 -0.553 1.00 0.00 C ATOM 250 CG2 VAL A 35 -1.298 14.875 -1.272 1.00 0.00 C ATOM 0 H VAL A 35 1.220 14.605 1.790 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.337 16.007 1.458 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.093 16.390 -0.367 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.349 14.758 -1.597 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.860 15.002 0.091 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.964 13.533 -0.365 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.914 15.023 -2.281 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.528 13.820 -1.123 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.203 15.467 -1.138 1.00 0.00 H new ATOM 260 N SER A 36 -2.751 13.809 0.848 1.00 0.00 N ATOM 261 CA SER A 36 -3.646 12.642 0.974 1.00 0.00 C ATOM 262 C SER A 36 -2.858 11.382 0.597 1.00 0.00 C ATOM 263 O SER A 36 -2.232 11.309 -0.467 1.00 0.00 O ATOM 264 CB SER A 36 -4.877 12.801 0.075 1.00 0.00 C ATOM 265 OG SER A 36 -5.623 13.951 0.429 1.00 0.00 O ATOM 0 H SER A 36 -3.123 14.560 0.267 1.00 0.00 H new ATOM 0 HA SER A 36 -4.001 12.561 2.001 1.00 0.00 H new ATOM 0 HB2 SER A 36 -4.563 12.874 -0.966 1.00 0.00 H new ATOM 0 HB3 SER A 36 -5.507 11.916 0.157 1.00 0.00 H new ATOM 0 HG SER A 36 -6.402 14.030 -0.161 1.00 0.00 H new ATOM 271 N GLN A 37 -2.914 10.408 1.506 1.00 0.00 N ATOM 272 CA GLN A 37 -2.121 9.176 1.432 1.00 0.00 C ATOM 273 C GLN A 37 -2.655 8.131 0.464 1.00 0.00 C ATOM 274 O GLN A 37 -3.817 8.159 0.048 1.00 0.00 O ATOM 275 CB GLN A 37 -1.956 8.554 2.836 1.00 0.00 C ATOM 276 CG GLN A 37 -3.101 8.807 3.811 1.00 0.00 C ATOM 277 CD GLN A 37 -2.940 10.079 4.646 1.00 0.00 C ATOM 278 OE1 GLN A 37 -3.331 10.118 5.811 1.00 0.00 O ATOM 279 NE2 GLN A 37 -2.378 11.131 4.045 1.00 0.00 N ATOM 0 H GLN A 37 -3.519 10.451 2.326 1.00 0.00 H new ATOM 0 HA GLN A 37 -1.154 9.484 1.034 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.830 7.477 2.723 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.036 8.938 3.277 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -4.034 8.868 3.251 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -3.188 7.953 4.483 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -2.066 11.059 3.076 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -2.260 12.007 4.555 1.00 0.00 H new ATOM 288 N ARG A 38 -1.745 7.211 0.134 1.00 0.00 N ATOM 289 CA ARG A 38 -1.996 6.123 -0.794 1.00 0.00 C ATOM 290 C ARG A 38 -1.806 4.766 -0.099 1.00 0.00 C ATOM 291 O ARG A 38 -1.055 4.656 0.878 1.00 0.00 O ATOM 292 CB ARG A 38 -1.034 6.275 -1.981 1.00 0.00 C ATOM 293 CG ARG A 38 -1.383 5.443 -3.204 1.00 0.00 C ATOM 294 CD ARG A 38 -2.021 6.284 -4.299 1.00 0.00 C ATOM 295 NE ARG A 38 -2.433 5.469 -5.449 1.00 0.00 N ATOM 296 CZ ARG A 38 -3.143 5.921 -6.496 1.00 0.00 C ATOM 297 NH1 ARG A 38 -3.540 7.191 -6.570 1.00 0.00 N ATOM 298 NH2 ARG A 38 -3.455 5.088 -7.479 1.00 0.00 N ATOM 0 H ARG A 38 -0.799 7.208 0.515 1.00 0.00 H new ATOM 0 HA ARG A 38 -3.026 6.162 -1.149 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -1.003 7.325 -2.272 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.030 6.006 -1.652 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -0.481 4.969 -3.590 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -2.065 4.643 -2.916 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -2.888 6.807 -3.896 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -1.315 7.046 -4.629 1.00 0.00 H new ATOM 0 HE ARG A 38 -2.160 4.486 -5.453 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -3.306 7.843 -5.821 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -4.078 7.511 -7.375 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -3.156 4.114 -7.436 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -3.994 5.421 -8.278 1.00 0.00 H new ATOM 312 N THR A 39 -2.491 3.746 -0.627 1.00 0.00 N ATOM 313 CA THR A 39 -2.416 2.388 -0.088 1.00 0.00 C ATOM 314 C THR A 39 -1.913 1.416 -1.161 1.00 0.00 C ATOM 315 O THR A 39 -2.508 1.304 -2.239 1.00 0.00 O ATOM 316 CB THR A 39 -3.790 1.898 0.453 1.00 0.00 C ATOM 317 OG1 THR A 39 -4.632 3.015 0.779 1.00 0.00 O ATOM 318 CG2 THR A 39 -3.616 1.032 1.698 1.00 0.00 C ATOM 0 H THR A 39 -3.108 3.839 -1.434 1.00 0.00 H new ATOM 0 HA THR A 39 -1.715 2.412 0.746 1.00 0.00 H new ATOM 0 HB THR A 39 -4.255 1.303 -0.333 1.00 0.00 H new ATOM 0 HG1 THR A 39 -5.492 2.689 1.116 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.593 0.705 2.053 1.00 0.00 H new ATOM 0 HG22 THR A 39 -3.008 0.161 1.453 1.00 0.00 H new ATOM 0 HG23 THR A 39 -3.122 1.611 2.478 1.00 0.00 H new ATOM 326 N PHE A 40 -0.804 0.728 -0.848 1.00 0.00 N ATOM 327 CA PHE A 40 -0.190 -0.253 -1.759 1.00 0.00 C ATOM 328 C PHE A 40 -0.654 -1.676 -1.413 1.00 0.00 C ATOM 329 O PHE A 40 -1.278 -1.896 -0.366 1.00 0.00 O ATOM 330 CB PHE A 40 1.351 -0.166 -1.687 1.00 0.00 C ATOM 331 CG PHE A 40 1.970 1.105 -2.242 1.00 0.00 C ATOM 332 CD1 PHE A 40 1.794 2.332 -1.606 1.00 0.00 C ATOM 333 CD2 PHE A 40 2.752 1.066 -3.390 1.00 0.00 C ATOM 334 CE1 PHE A 40 2.380 3.481 -2.103 1.00 0.00 C ATOM 335 CE2 PHE A 40 3.340 2.217 -3.889 1.00 0.00 C ATOM 336 CZ PHE A 40 3.153 3.423 -3.243 1.00 0.00 C ATOM 0 H PHE A 40 -0.310 0.834 0.038 1.00 0.00 H new ATOM 0 HA PHE A 40 -0.508 -0.020 -2.775 1.00 0.00 H new ATOM 0 HB2 PHE A 40 1.653 -0.269 -0.645 1.00 0.00 H new ATOM 0 HB3 PHE A 40 1.769 -1.016 -2.226 1.00 0.00 H new ATOM 0 HD1 PHE A 40 1.191 2.386 -0.712 1.00 0.00 H new ATOM 0 HD2 PHE A 40 2.903 0.126 -3.900 1.00 0.00 H new ATOM 0 HE1 PHE A 40 2.232 4.424 -1.598 1.00 0.00 H new ATOM 0 HE2 PHE A 40 3.944 2.171 -4.783 1.00 0.00 H new ATOM 0 HZ PHE A 40 3.612 4.320 -3.631 1.00 0.00 H new ATOM 346 N SER A 41 -0.342 -2.641 -2.298 1.00 0.00 N ATOM 347 CA SER A 41 -0.717 -4.052 -2.104 1.00 0.00 C ATOM 348 C SER A 41 0.211 -4.770 -1.108 1.00 0.00 C ATOM 349 O SER A 41 -0.162 -5.815 -0.560 1.00 0.00 O ATOM 350 CB SER A 41 -0.707 -4.785 -3.453 1.00 0.00 C ATOM 351 OG SER A 41 -1.379 -6.033 -3.369 1.00 0.00 O ATOM 0 H SER A 41 0.173 -2.466 -3.161 1.00 0.00 H new ATOM 0 HA SER A 41 -1.722 -4.068 -1.682 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.184 -4.163 -4.210 1.00 0.00 H new ATOM 0 HB3 SER A 41 0.322 -4.945 -3.774 1.00 0.00 H new ATOM 0 HG SER A 41 -2.320 -5.883 -3.142 1.00 0.00 H new ATOM 357 N ASN A 42 1.417 -4.203 -0.878 1.00 0.00 N ATOM 358 CA ASN A 42 2.411 -4.785 0.051 1.00 0.00 C ATOM 359 C ASN A 42 3.567 -3.792 0.315 1.00 0.00 C ATOM 360 O ASN A 42 3.863 -2.972 -0.561 1.00 0.00 O ATOM 361 CB ASN A 42 2.986 -6.110 -0.515 1.00 0.00 C ATOM 362 CG ASN A 42 3.216 -7.168 0.549 1.00 0.00 C ATOM 363 OD1 ASN A 42 4.338 -7.364 1.013 1.00 0.00 O ATOM 364 ND2 ASN A 42 2.147 -7.844 0.949 1.00 0.00 N ATOM 0 H ASN A 42 1.726 -3.340 -1.325 1.00 0.00 H new ATOM 0 HA ASN A 42 1.900 -4.992 0.991 1.00 0.00 H new ATOM 0 HB2 ASN A 42 2.301 -6.503 -1.267 1.00 0.00 H new ATOM 0 HB3 ASN A 42 3.929 -5.902 -1.021 1.00 0.00 H new ATOM 0 HD21 ASN A 42 2.237 -8.560 1.670 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.235 -7.648 0.536 1.00 0.00 H new ATOM 371 N PRO A 43 4.245 -3.835 1.531 1.00 0.00 N ATOM 372 CA PRO A 43 5.385 -2.932 1.870 1.00 0.00 C ATOM 373 C PRO A 43 6.486 -2.840 0.796 1.00 0.00 C ATOM 374 O PRO A 43 7.049 -1.762 0.590 1.00 0.00 O ATOM 375 CB PRO A 43 5.952 -3.550 3.151 1.00 0.00 C ATOM 376 CG PRO A 43 4.778 -4.174 3.808 1.00 0.00 C ATOM 377 CD PRO A 43 3.931 -4.722 2.690 1.00 0.00 C ATOM 0 HA PRO A 43 5.037 -1.904 1.965 1.00 0.00 H new ATOM 0 HB2 PRO A 43 6.723 -4.288 2.929 1.00 0.00 H new ATOM 0 HB3 PRO A 43 6.409 -2.794 3.789 1.00 0.00 H new ATOM 0 HG2 PRO A 43 5.086 -4.966 4.491 1.00 0.00 H new ATOM 0 HG3 PRO A 43 4.224 -3.443 4.397 1.00 0.00 H new ATOM 0 HD2 PRO A 43 4.178 -5.762 2.475 1.00 0.00 H new ATOM 0 HD3 PRO A 43 2.871 -4.691 2.941 1.00 0.00 H new ATOM 385 N CYS A 44 6.778 -3.969 0.104 1.00 0.00 N ATOM 386 CA CYS A 44 7.810 -4.000 -0.955 1.00 0.00 C ATOM 387 C CYS A 44 7.359 -3.252 -2.217 1.00 0.00 C ATOM 388 O CYS A 44 8.191 -2.716 -2.957 1.00 0.00 O ATOM 389 CB CYS A 44 8.175 -5.437 -1.318 1.00 0.00 C ATOM 390 SG CYS A 44 9.610 -5.562 -2.437 1.00 0.00 S ATOM 0 H CYS A 44 6.315 -4.864 0.261 1.00 0.00 H new ATOM 0 HA CYS A 44 8.688 -3.495 -0.553 1.00 0.00 H new ATOM 0 HB2 CYS A 44 8.388 -5.992 -0.404 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.315 -5.914 -1.788 1.00 0.00 H new ATOM 395 N ASP A 45 6.034 -3.226 -2.445 1.00 0.00 N ATOM 396 CA ASP A 45 5.425 -2.535 -3.595 1.00 0.00 C ATOM 397 C ASP A 45 5.535 -1.009 -3.450 1.00 0.00 C ATOM 398 O ASP A 45 5.491 -0.279 -4.446 1.00 0.00 O ATOM 399 CB ASP A 45 3.953 -2.937 -3.747 1.00 0.00 C ATOM 400 CG ASP A 45 3.779 -4.336 -4.314 1.00 0.00 C ATOM 401 OD1 ASP A 45 3.734 -4.470 -5.555 1.00 0.00 O ATOM 402 OD2 ASP A 45 3.691 -5.292 -3.519 1.00 0.00 O ATOM 0 H ASP A 45 5.355 -3.684 -1.837 1.00 0.00 H new ATOM 0 HA ASP A 45 5.972 -2.836 -4.488 1.00 0.00 H new ATOM 0 HB2 ASP A 45 3.464 -2.881 -2.775 1.00 0.00 H new ATOM 0 HB3 ASP A 45 3.451 -2.221 -4.398 1.00 0.00 H new ATOM 407 N LEU A 46 5.669 -0.551 -2.191 1.00 0.00 N ATOM 408 CA LEU A 46 5.783 0.858 -1.854 1.00 0.00 C ATOM 409 C LEU A 46 7.204 1.400 -2.055 1.00 0.00 C ATOM 410 O LEU A 46 7.393 2.379 -2.778 1.00 0.00 O ATOM 411 CB LEU A 46 5.382 1.025 -0.383 1.00 0.00 C ATOM 412 CG LEU A 46 5.504 2.446 0.147 1.00 0.00 C ATOM 413 CD1 LEU A 46 4.233 2.888 0.827 1.00 0.00 C ATOM 414 CD2 LEU A 46 6.691 2.575 1.087 1.00 0.00 C ATOM 0 H LEU A 46 5.700 -1.166 -1.378 1.00 0.00 H new ATOM 0 HA LEU A 46 5.130 1.423 -2.518 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.351 0.692 -0.261 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.003 0.369 0.227 1.00 0.00 H new ATOM 0 HG LEU A 46 5.672 3.103 -0.706 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.352 3.907 1.195 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.408 2.853 0.115 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.018 2.223 1.664 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.756 3.600 1.452 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.562 1.897 1.931 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.607 2.321 0.554 1.00 0.00 H new ATOM 426 N LYS A 47 8.188 0.714 -1.444 1.00 0.00 N ATOM 427 CA LYS A 47 9.608 1.105 -1.470 1.00 0.00 C ATOM 428 C LYS A 47 10.155 1.294 -2.887 1.00 0.00 C ATOM 429 O LYS A 47 11.017 2.148 -3.118 1.00 0.00 O ATOM 430 CB LYS A 47 10.430 0.058 -0.726 1.00 0.00 C ATOM 431 CG LYS A 47 10.259 0.109 0.785 1.00 0.00 C ATOM 432 CD LYS A 47 10.003 -1.272 1.362 1.00 0.00 C ATOM 433 CE LYS A 47 9.804 -1.228 2.871 1.00 0.00 C ATOM 434 NZ LYS A 47 11.100 -1.188 3.609 1.00 0.00 N ATOM 0 H LYS A 47 8.016 -0.139 -0.912 1.00 0.00 H new ATOM 0 HA LYS A 47 9.687 2.075 -0.978 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.148 -0.933 -1.082 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.484 0.196 -0.969 1.00 0.00 H new ATOM 0 HG2 LYS A 47 11.154 0.534 1.239 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.429 0.769 1.036 1.00 0.00 H new ATOM 0 HD2 LYS A 47 9.120 -1.704 0.892 1.00 0.00 H new ATOM 0 HD3 LYS A 47 10.842 -1.926 1.125 1.00 0.00 H new ATOM 0 HE2 LYS A 47 9.212 -0.351 3.132 1.00 0.00 H new ATOM 0 HE3 LYS A 47 9.235 -2.103 3.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.963 -0.716 4.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 11.440 -2.158 3.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 11.802 -0.662 3.050 1.00 0.00 H new ATOM 448 N VAL A 48 9.639 0.485 -3.822 1.00 0.00 N ATOM 449 CA VAL A 48 10.012 0.546 -5.242 1.00 0.00 C ATOM 450 C VAL A 48 9.651 1.918 -5.848 1.00 0.00 C ATOM 451 O VAL A 48 10.401 2.465 -6.654 1.00 0.00 O ATOM 452 CB VAL A 48 9.328 -0.630 -6.010 1.00 0.00 C ATOM 453 CG1 VAL A 48 7.889 -0.338 -6.450 1.00 0.00 C ATOM 454 CG2 VAL A 48 10.180 -1.100 -7.189 1.00 0.00 C ATOM 0 H VAL A 48 8.947 -0.235 -3.613 1.00 0.00 H new ATOM 0 HA VAL A 48 11.092 0.435 -5.338 1.00 0.00 H new ATOM 0 HB VAL A 48 9.256 -1.442 -5.286 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.487 -1.204 -6.976 1.00 0.00 H new ATOM 0 HG12 VAL A 48 7.276 -0.129 -5.573 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.880 0.526 -7.114 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.674 -1.919 -7.700 1.00 0.00 H new ATOM 0 HG22 VAL A 48 10.327 -0.273 -7.884 1.00 0.00 H new ATOM 0 HG23 VAL A 48 11.148 -1.443 -6.824 1.00 0.00 H new ATOM 464 N TYR A 49 8.513 2.461 -5.395 1.00 0.00 N ATOM 465 CA TYR A 49 8.004 3.762 -5.857 1.00 0.00 C ATOM 466 C TYR A 49 8.841 4.911 -5.290 1.00 0.00 C ATOM 467 O TYR A 49 8.975 5.961 -5.905 1.00 0.00 O ATOM 468 CB TYR A 49 6.542 3.919 -5.424 1.00 0.00 C ATOM 469 CG TYR A 49 5.646 4.587 -6.452 1.00 0.00 C ATOM 470 CD1 TYR A 49 5.006 3.844 -7.440 1.00 0.00 C ATOM 471 CD2 TYR A 49 5.436 5.960 -6.428 1.00 0.00 C ATOM 472 CE1 TYR A 49 4.186 4.451 -8.371 1.00 0.00 C ATOM 473 CE2 TYR A 49 4.617 6.573 -7.354 1.00 0.00 C ATOM 474 CZ TYR A 49 3.996 5.816 -8.324 1.00 0.00 C ATOM 475 OH TYR A 49 3.179 6.424 -9.249 1.00 0.00 O ATOM 0 H TYR A 49 7.919 2.012 -4.698 1.00 0.00 H new ATOM 0 HA TYR A 49 8.073 3.797 -6.944 1.00 0.00 H new ATOM 0 HB2 TYR A 49 6.137 2.933 -5.194 1.00 0.00 H new ATOM 0 HB3 TYR A 49 6.510 4.499 -4.502 1.00 0.00 H new ATOM 0 HD1 TYR A 49 5.153 2.775 -7.479 1.00 0.00 H new ATOM 0 HD2 TYR A 49 5.922 6.558 -5.671 1.00 0.00 H new ATOM 0 HE1 TYR A 49 3.697 3.860 -9.131 1.00 0.00 H new ATOM 0 HE2 TYR A 49 4.463 7.641 -7.319 1.00 0.00 H new ATOM 0 HH TYR A 49 3.151 7.388 -9.077 1.00 0.00 H new ATOM 485 N ASN A 50 9.399 4.670 -4.107 1.00 0.00 N ATOM 486 CA ASN A 50 10.230 5.633 -3.374 1.00 0.00 C ATOM 487 C ASN A 50 11.635 5.786 -3.981 1.00 0.00 C ATOM 488 O ASN A 50 12.232 6.865 -3.909 1.00 0.00 O ATOM 489 CB ASN A 50 10.341 5.199 -1.899 1.00 0.00 C ATOM 490 CG ASN A 50 9.001 5.061 -1.163 1.00 0.00 C ATOM 491 OD1 ASN A 50 8.922 5.297 0.042 1.00 0.00 O ATOM 492 ND2 ASN A 50 7.947 4.673 -1.883 1.00 0.00 N ATOM 0 H ASN A 50 9.287 3.783 -3.617 1.00 0.00 H new ATOM 0 HA ASN A 50 9.743 6.606 -3.447 1.00 0.00 H new ATOM 0 HB2 ASN A 50 10.863 4.243 -1.855 1.00 0.00 H new ATOM 0 HB3 ASN A 50 10.958 5.924 -1.368 1.00 0.00 H new ATOM 0 HD21 ASN A 50 7.037 4.563 -1.436 1.00 0.00 H new ATOM 0 HD22 ASN A 50 8.051 4.486 -2.880 1.00 0.00 H new ATOM 499 N CYS A 51 12.141 4.691 -4.577 1.00 0.00 N ATOM 500 CA CYS A 51 13.487 4.640 -5.162 1.00 0.00 C ATOM 501 C CYS A 51 13.595 5.340 -6.527 1.00 0.00 C ATOM 502 O CYS A 51 14.485 6.177 -6.716 1.00 0.00 O ATOM 503 CB CYS A 51 13.914 3.173 -5.291 1.00 0.00 C ATOM 504 SG CYS A 51 15.684 2.919 -5.666 1.00 0.00 S ATOM 0 H CYS A 51 11.624 3.816 -4.665 1.00 0.00 H new ATOM 0 HA CYS A 51 14.151 5.186 -4.492 1.00 0.00 H new ATOM 0 HB2 CYS A 51 13.677 2.657 -4.361 1.00 0.00 H new ATOM 0 HB3 CYS A 51 13.320 2.704 -6.076 1.00 0.00 H new ATOM 509 N TRP A 52 12.695 5.002 -7.468 1.00 0.00 N ATOM 510 CA TRP A 52 12.745 5.587 -8.821 1.00 0.00 C ATOM 511 C TRP A 52 11.817 6.797 -9.063 1.00 0.00 C ATOM 512 O TRP A 52 11.885 7.425 -10.127 1.00 0.00 O ATOM 513 CB TRP A 52 12.586 4.492 -9.883 1.00 0.00 C ATOM 514 CG TRP A 52 11.292 3.728 -9.938 1.00 0.00 C ATOM 515 CD1 TRP A 52 11.041 2.503 -9.400 1.00 0.00 C ATOM 516 CD2 TRP A 52 10.107 4.116 -10.629 1.00 0.00 C ATOM 517 NE1 TRP A 52 9.757 2.112 -9.696 1.00 0.00 N ATOM 518 CE2 TRP A 52 9.162 3.088 -10.452 1.00 0.00 C ATOM 519 CE3 TRP A 52 9.752 5.245 -11.367 1.00 0.00 C ATOM 520 CZ2 TRP A 52 7.882 3.155 -10.997 1.00 0.00 C ATOM 521 CZ3 TRP A 52 8.483 5.315 -11.903 1.00 0.00 C ATOM 522 CH2 TRP A 52 7.560 4.274 -11.720 1.00 0.00 C ATOM 0 H TRP A 52 11.935 4.337 -7.321 1.00 0.00 H new ATOM 0 HA TRP A 52 13.738 6.027 -8.913 1.00 0.00 H new ATOM 0 HB2 TRP A 52 12.741 4.952 -10.859 1.00 0.00 H new ATOM 0 HB3 TRP A 52 13.391 3.771 -9.739 1.00 0.00 H new ATOM 0 HD1 TRP A 52 11.748 1.923 -8.825 1.00 0.00 H new ATOM 0 HE1 TRP A 52 9.319 1.239 -9.401 1.00 0.00 H new ATOM 0 HE3 TRP A 52 10.457 6.049 -11.516 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 7.170 2.355 -10.855 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 8.195 6.186 -12.473 1.00 0.00 H new ATOM 0 HH2 TRP A 52 6.576 4.356 -12.158 1.00 0.00 H new ATOM 533 N ASN A 53 10.968 7.110 -8.088 1.00 0.00 N ATOM 534 CA ASN A 53 10.068 8.273 -8.160 1.00 0.00 C ATOM 535 C ASN A 53 10.554 9.391 -7.199 1.00 0.00 C ATOM 536 O ASN A 53 10.098 9.458 -6.046 1.00 0.00 O ATOM 537 CB ASN A 53 8.615 7.889 -7.822 1.00 0.00 C ATOM 538 CG ASN A 53 8.025 6.823 -8.728 1.00 0.00 C ATOM 539 OD1 ASN A 53 7.039 7.062 -9.426 1.00 0.00 O ATOM 540 ND2 ASN A 53 8.629 5.643 -8.722 1.00 0.00 N ATOM 0 H ASN A 53 10.879 6.571 -7.226 1.00 0.00 H new ATOM 0 HA ASN A 53 10.090 8.642 -9.186 1.00 0.00 H new ATOM 0 HB2 ASN A 53 8.575 7.537 -6.791 1.00 0.00 H new ATOM 0 HB3 ASN A 53 7.993 8.782 -7.878 1.00 0.00 H new ATOM 0 HD21 ASN A 53 8.279 4.888 -9.312 1.00 0.00 H new ATOM 0 HD22 ASN A 53 9.443 5.490 -8.127 1.00 0.00 H new ATOM 547 N PRO A 54 11.514 10.276 -7.634 1.00 0.00 N ATOM 548 CA PRO A 54 12.033 11.385 -6.785 1.00 0.00 C ATOM 549 C PRO A 54 11.017 12.530 -6.562 1.00 0.00 C ATOM 550 O PRO A 54 10.956 13.112 -5.474 1.00 0.00 O ATOM 551 CB PRO A 54 13.244 11.893 -7.587 1.00 0.00 C ATOM 552 CG PRO A 54 12.897 11.588 -9.004 1.00 0.00 C ATOM 553 CD PRO A 54 12.196 10.261 -8.958 1.00 0.00 C ATOM 0 HA PRO A 54 12.265 11.038 -5.778 1.00 0.00 H new ATOM 0 HB2 PRO A 54 13.402 12.961 -7.437 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.162 11.389 -7.284 1.00 0.00 H new ATOM 0 HG2 PRO A 54 12.253 12.359 -9.427 1.00 0.00 H new ATOM 0 HG3 PRO A 54 13.790 11.541 -9.627 1.00 0.00 H new ATOM 0 HD2 PRO A 54 11.483 10.155 -9.776 1.00 0.00 H new ATOM 0 HD3 PRO A 54 12.899 9.432 -9.038 1.00 0.00 H new ATOM 561 N ASP A 55 10.232 12.828 -7.617 1.00 0.00 N ATOM 562 CA ASP A 55 9.219 13.904 -7.599 1.00 0.00 C ATOM 563 C ASP A 55 7.965 13.567 -6.770 1.00 0.00 C ATOM 564 O ASP A 55 7.345 14.479 -6.210 1.00 0.00 O ATOM 565 CB ASP A 55 8.799 14.252 -9.030 1.00 0.00 C ATOM 566 CG ASP A 55 9.853 15.057 -9.772 1.00 0.00 C ATOM 567 OD1 ASP A 55 10.732 14.438 -10.409 1.00 0.00 O ATOM 568 OD2 ASP A 55 9.799 16.303 -9.713 1.00 0.00 O ATOM 0 H ASP A 55 10.282 12.330 -8.506 1.00 0.00 H new ATOM 0 HA ASP A 55 9.696 14.756 -7.115 1.00 0.00 H new ATOM 0 HB2 ASP A 55 8.597 13.332 -9.579 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.868 14.818 -9.003 1.00 0.00 H new ATOM 573 N ASN A 56 7.593 12.274 -6.694 1.00 0.00 N ATOM 574 CA ASN A 56 6.400 11.856 -5.935 1.00 0.00 C ATOM 575 C ASN A 56 6.729 10.751 -4.889 1.00 0.00 C ATOM 576 O ASN A 56 6.316 9.593 -5.056 1.00 0.00 O ATOM 577 CB ASN A 56 5.298 11.392 -6.909 1.00 0.00 C ATOM 578 CG ASN A 56 3.903 11.712 -6.413 1.00 0.00 C ATOM 579 OD1 ASN A 56 3.301 10.938 -5.669 1.00 0.00 O ATOM 580 ND2 ASN A 56 3.379 12.854 -6.829 1.00 0.00 N ATOM 0 H ASN A 56 8.096 11.509 -7.144 1.00 0.00 H new ATOM 0 HA ASN A 56 6.038 12.717 -5.373 1.00 0.00 H new ATOM 0 HB2 ASN A 56 5.452 11.867 -7.878 1.00 0.00 H new ATOM 0 HB3 ASN A 56 5.386 10.317 -7.064 1.00 0.00 H new ATOM 0 HD21 ASN A 56 2.440 13.122 -6.533 1.00 0.00 H new ATOM 0 HD22 ASN A 56 3.914 13.466 -7.446 1.00 0.00 H new ATOM 587 N PRO A 57 7.497 11.081 -3.793 1.00 0.00 N ATOM 588 CA PRO A 57 7.847 10.112 -2.725 1.00 0.00 C ATOM 589 C PRO A 57 6.736 9.943 -1.669 1.00 0.00 C ATOM 590 O PRO A 57 5.878 10.823 -1.522 1.00 0.00 O ATOM 591 CB PRO A 57 9.106 10.733 -2.075 1.00 0.00 C ATOM 592 CG PRO A 57 9.410 11.980 -2.854 1.00 0.00 C ATOM 593 CD PRO A 57 8.121 12.390 -3.507 1.00 0.00 C ATOM 0 HA PRO A 57 7.998 9.112 -3.133 1.00 0.00 H new ATOM 0 HB2 PRO A 57 8.928 10.964 -1.025 1.00 0.00 H new ATOM 0 HB3 PRO A 57 9.945 10.038 -2.110 1.00 0.00 H new ATOM 0 HG2 PRO A 57 9.782 12.767 -2.199 1.00 0.00 H new ATOM 0 HG3 PRO A 57 10.183 11.794 -3.600 1.00 0.00 H new ATOM 0 HD2 PRO A 57 7.505 13.001 -2.847 1.00 0.00 H new ATOM 0 HD3 PRO A 57 8.289 12.970 -4.415 1.00 0.00 H new ATOM 601 N TYR A 58 6.761 8.808 -0.948 1.00 0.00 N ATOM 602 CA TYR A 58 5.783 8.521 0.111 1.00 0.00 C ATOM 603 C TYR A 58 6.495 8.143 1.410 1.00 0.00 C ATOM 604 O TYR A 58 7.581 7.550 1.377 1.00 0.00 O ATOM 605 CB TYR A 58 4.821 7.396 -0.307 1.00 0.00 C ATOM 606 CG TYR A 58 3.726 7.836 -1.262 1.00 0.00 C ATOM 607 CD1 TYR A 58 2.506 8.304 -0.781 1.00 0.00 C ATOM 608 CD2 TYR A 58 3.906 7.779 -2.642 1.00 0.00 C ATOM 609 CE1 TYR A 58 1.503 8.702 -1.642 1.00 0.00 C ATOM 610 CE2 TYR A 58 2.905 8.177 -3.508 1.00 0.00 C ATOM 611 CZ TYR A 58 1.707 8.636 -3.004 1.00 0.00 C ATOM 612 OH TYR A 58 0.709 9.032 -3.864 1.00 0.00 O ATOM 0 H TYR A 58 7.454 8.071 -1.083 1.00 0.00 H new ATOM 0 HA TYR A 58 5.199 9.426 0.276 1.00 0.00 H new ATOM 0 HB2 TYR A 58 5.396 6.597 -0.775 1.00 0.00 H new ATOM 0 HB3 TYR A 58 4.361 6.976 0.587 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.341 8.357 0.285 1.00 0.00 H new ATOM 0 HD2 TYR A 58 4.842 7.418 -3.042 1.00 0.00 H new ATOM 0 HE1 TYR A 58 0.563 9.063 -1.251 1.00 0.00 H new ATOM 0 HE2 TYR A 58 3.061 8.129 -4.576 1.00 0.00 H new ATOM 0 HH TYR A 58 1.013 8.924 -4.789 1.00 0.00 H new ATOM 622 N LYS A 59 5.872 8.484 2.549 1.00 0.00 N ATOM 623 CA LYS A 59 6.439 8.196 3.864 1.00 0.00 C ATOM 624 C LYS A 59 5.555 7.188 4.605 1.00 0.00 C ATOM 625 O LYS A 59 4.380 7.458 4.876 1.00 0.00 O ATOM 626 CB LYS A 59 6.605 9.501 4.668 1.00 0.00 C ATOM 627 CG LYS A 59 7.639 10.479 4.093 1.00 0.00 C ATOM 628 CD LYS A 59 9.030 10.251 4.676 1.00 0.00 C ATOM 629 CE LYS A 59 10.053 11.189 4.057 1.00 0.00 C ATOM 630 NZ LYS A 59 11.420 10.960 4.601 1.00 0.00 N ATOM 0 H LYS A 59 4.971 8.962 2.579 1.00 0.00 H new ATOM 0 HA LYS A 59 7.427 7.752 3.743 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.640 10.004 4.722 1.00 0.00 H new ATOM 0 HB3 LYS A 59 6.891 9.249 5.689 1.00 0.00 H new ATOM 0 HG2 LYS A 59 7.678 10.369 3.009 1.00 0.00 H new ATOM 0 HG3 LYS A 59 7.323 11.502 4.298 1.00 0.00 H new ATOM 0 HD2 LYS A 59 9.003 10.402 5.755 1.00 0.00 H new ATOM 0 HD3 LYS A 59 9.332 9.218 4.506 1.00 0.00 H new ATOM 0 HE2 LYS A 59 10.065 11.050 2.976 1.00 0.00 H new ATOM 0 HE3 LYS A 59 9.757 12.222 4.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 12.087 11.620 4.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 11.415 11.117 5.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 11.714 9.982 4.402 1.00 0.00 H new ATOM 644 N GLU A 60 6.146 6.027 4.942 1.00 0.00 N ATOM 645 CA GLU A 60 5.442 4.911 5.604 1.00 0.00 C ATOM 646 C GLU A 60 5.013 5.204 7.054 1.00 0.00 C ATOM 647 O GLU A 60 5.843 5.513 7.918 1.00 0.00 O ATOM 648 CB GLU A 60 6.324 3.659 5.568 1.00 0.00 C ATOM 649 CG GLU A 60 5.633 2.440 4.982 1.00 0.00 C ATOM 650 CD GLU A 60 6.547 1.231 4.917 1.00 0.00 C ATOM 651 OE1 GLU A 60 6.578 0.458 5.898 1.00 0.00 O ATOM 652 OE2 GLU A 60 7.228 1.056 3.885 1.00 0.00 O ATOM 0 H GLU A 60 7.131 5.835 4.762 1.00 0.00 H new ATOM 0 HA GLU A 60 4.519 4.757 5.044 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.219 3.873 4.985 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.652 3.427 6.581 1.00 0.00 H new ATOM 0 HG2 GLU A 60 4.757 2.198 5.584 1.00 0.00 H new ATOM 0 HG3 GLU A 60 5.275 2.676 3.980 1.00 0.00 H new ATOM 659 N VAL A 61 3.693 5.106 7.279 1.00 0.00 N ATOM 660 CA VAL A 61 3.077 5.310 8.604 1.00 0.00 C ATOM 661 C VAL A 61 2.822 3.974 9.315 1.00 0.00 C ATOM 662 O VAL A 61 3.156 3.828 10.495 1.00 0.00 O ATOM 663 CB VAL A 61 1.710 6.077 8.539 1.00 0.00 C ATOM 664 CG1 VAL A 61 1.718 7.289 9.455 1.00 0.00 C ATOM 665 CG2 VAL A 61 1.336 6.497 7.121 1.00 0.00 C ATOM 0 H VAL A 61 3.019 4.883 6.546 1.00 0.00 H new ATOM 0 HA VAL A 61 3.797 5.914 9.157 1.00 0.00 H new ATOM 0 HB VAL A 61 0.951 5.374 8.882 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.758 7.801 9.389 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.888 6.967 10.482 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.514 7.969 9.151 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.382 7.023 7.137 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.107 7.156 6.721 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.252 5.612 6.490 1.00 0.00 H new ATOM 675 N LYS A 62 2.232 3.000 8.580 1.00 0.00 N ATOM 676 CA LYS A 62 1.899 1.657 9.122 1.00 0.00 C ATOM 677 C LYS A 62 1.331 0.756 8.017 1.00 0.00 C ATOM 678 O LYS A 62 1.064 1.233 6.906 1.00 0.00 O ATOM 679 CB LYS A 62 0.830 1.777 10.235 1.00 0.00 C ATOM 680 CG LYS A 62 0.964 0.756 11.370 1.00 0.00 C ATOM 681 CD LYS A 62 1.828 1.280 12.510 1.00 0.00 C ATOM 682 CE LYS A 62 1.995 0.241 13.607 1.00 0.00 C ATOM 683 NZ LYS A 62 2.851 0.739 14.719 1.00 0.00 N ATOM 0 H LYS A 62 1.974 3.121 7.600 1.00 0.00 H new ATOM 0 HA LYS A 62 2.816 1.225 9.523 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.880 2.780 10.660 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.157 1.670 9.784 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.026 0.506 11.751 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.398 -0.165 10.980 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.807 1.564 12.125 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.376 2.180 12.926 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.016 -0.034 13.998 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.436 -0.663 13.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.940 0.001 15.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.794 0.978 14.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.418 1.587 15.138 1.00 0.00 H new ATOM 697 N VAL A 63 1.143 -0.553 8.322 1.00 0.00 N ATOM 698 CA VAL A 63 0.540 -1.465 7.361 1.00 0.00 C ATOM 699 C VAL A 63 -0.986 -1.538 7.649 1.00 0.00 C ATOM 700 O VAL A 63 -1.441 -2.230 8.570 1.00 0.00 O ATOM 701 CB VAL A 63 1.259 -2.874 7.399 1.00 0.00 C ATOM 702 CG1 VAL A 63 1.161 -3.588 8.756 1.00 0.00 C ATOM 703 CG2 VAL A 63 0.763 -3.783 6.283 1.00 0.00 C ATOM 0 H VAL A 63 1.400 -0.979 9.212 1.00 0.00 H new ATOM 0 HA VAL A 63 0.672 -1.101 6.342 1.00 0.00 H new ATOM 0 HB VAL A 63 2.316 -2.659 7.241 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.678 -4.546 8.701 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.623 -2.970 9.526 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.113 -3.755 9.005 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.278 -4.742 6.339 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.310 -3.940 6.392 1.00 0.00 H new ATOM 0 HG23 VAL A 63 0.966 -3.318 5.318 1.00 0.00 H new ATOM 713 N GLY A 64 -1.742 -0.779 6.852 1.00 0.00 N ATOM 714 CA GLY A 64 -3.191 -0.716 6.992 1.00 0.00 C ATOM 715 C GLY A 64 -3.806 0.322 6.073 1.00 0.00 C ATOM 716 O GLY A 64 -3.190 0.738 5.084 1.00 0.00 O ATOM 0 H GLY A 64 -1.368 -0.199 6.101 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.619 -1.694 6.772 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.446 -0.481 8.026 1.00 0.00 H new ATOM 720 N GLU A 65 -5.036 0.727 6.409 1.00 0.00 N ATOM 721 CA GLU A 65 -5.746 1.785 5.693 1.00 0.00 C ATOM 722 C GLU A 65 -5.886 2.976 6.640 1.00 0.00 C ATOM 723 O GLU A 65 -6.544 2.878 7.688 1.00 0.00 O ATOM 724 CB GLU A 65 -7.117 1.318 5.206 1.00 0.00 C ATOM 725 CG GLU A 65 -7.399 1.669 3.753 1.00 0.00 C ATOM 726 CD GLU A 65 -8.698 1.071 3.249 1.00 0.00 C ATOM 727 OE1 GLU A 65 -9.749 1.733 3.384 1.00 0.00 O ATOM 728 OE2 GLU A 65 -8.663 -0.059 2.717 1.00 0.00 O ATOM 0 H GLU A 65 -5.564 0.329 7.185 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.181 2.066 4.804 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -7.189 0.238 5.331 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -7.888 1.763 5.835 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -7.437 2.753 3.646 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.576 1.316 3.132 1.00 0.00 H new ATOM 735 N CYS A 66 -5.249 4.090 6.276 1.00 0.00 N ATOM 736 CA CYS A 66 -5.241 5.290 7.105 1.00 0.00 C ATOM 737 C CYS A 66 -5.935 6.483 6.440 1.00 0.00 C ATOM 738 O CYS A 66 -6.007 6.573 5.210 1.00 0.00 O ATOM 739 CB CYS A 66 -3.788 5.641 7.475 1.00 0.00 C ATOM 740 SG CYS A 66 -2.770 6.345 6.127 1.00 0.00 S ATOM 0 H CYS A 66 -4.728 4.183 5.404 1.00 0.00 H new ATOM 0 HA CYS A 66 -5.814 5.073 8.006 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -3.805 6.352 8.301 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -3.298 4.739 7.841 1.00 0.00 H new ATOM 745 N ASP A 67 -6.437 7.391 7.292 1.00 0.00 N ATOM 746 CA ASP A 67 -7.126 8.609 6.855 1.00 0.00 C ATOM 747 C ASP A 67 -6.244 9.846 7.119 1.00 0.00 C ATOM 748 O ASP A 67 -5.178 9.732 7.735 1.00 0.00 O ATOM 749 CB ASP A 67 -8.477 8.740 7.579 1.00 0.00 C ATOM 750 CG ASP A 67 -9.530 7.793 7.032 1.00 0.00 C ATOM 751 OD1 ASP A 67 -9.621 6.652 7.533 1.00 0.00 O ATOM 752 OD2 ASP A 67 -10.261 8.192 6.101 1.00 0.00 O ATOM 0 H ASP A 67 -6.375 7.298 8.306 1.00 0.00 H new ATOM 0 HA ASP A 67 -7.313 8.545 5.783 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -8.335 8.544 8.642 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -8.835 9.766 7.489 1.00 0.00 H new ATOM 757 N ASP A 68 -6.703 11.028 6.654 1.00 0.00 N ATOM 758 CA ASP A 68 -5.963 12.301 6.822 1.00 0.00 C ATOM 759 C ASP A 68 -6.020 12.852 8.267 1.00 0.00 C ATOM 760 O ASP A 68 -5.321 13.821 8.594 1.00 0.00 O ATOM 761 CB ASP A 68 -6.511 13.352 5.844 1.00 0.00 C ATOM 762 CG ASP A 68 -6.048 13.121 4.416 1.00 0.00 C ATOM 763 OD1 ASP A 68 -4.984 13.656 4.043 1.00 0.00 O ATOM 764 OD2 ASP A 68 -6.750 12.401 3.675 1.00 0.00 O ATOM 0 H ASP A 68 -7.588 11.129 6.156 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.916 12.089 6.606 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -7.600 13.338 5.875 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.195 14.344 6.168 1.00 0.00 H new ATOM 769 N ALA A 69 -6.841 12.216 9.120 1.00 0.00 N ATOM 770 CA ALA A 69 -6.999 12.622 10.526 1.00 0.00 C ATOM 771 C ALA A 69 -6.069 11.828 11.473 1.00 0.00 C ATOM 772 O ALA A 69 -6.229 11.874 12.702 1.00 0.00 O ATOM 773 CB ALA A 69 -8.461 12.465 10.937 1.00 0.00 C ATOM 0 H ALA A 69 -7.410 11.412 8.856 1.00 0.00 H new ATOM 0 HA ALA A 69 -6.707 13.669 10.612 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -8.581 12.765 11.978 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.087 13.094 10.304 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.761 11.423 10.823 1.00 0.00 H new ATOM 779 N ASN A 70 -5.080 11.128 10.888 1.00 0.00 N ATOM 780 CA ASN A 70 -4.121 10.320 11.642 1.00 0.00 C ATOM 781 C ASN A 70 -2.796 11.067 11.837 1.00 0.00 C ATOM 782 O ASN A 70 -2.465 11.983 11.074 1.00 0.00 O ATOM 783 CB ASN A 70 -3.875 8.984 10.924 1.00 0.00 C ATOM 784 CG ASN A 70 -5.023 8.005 11.099 1.00 0.00 C ATOM 785 OD1 ASN A 70 -5.041 7.214 12.040 1.00 0.00 O ATOM 786 ND2 ASN A 70 -5.988 8.055 10.186 1.00 0.00 N ATOM 0 H ASN A 70 -4.928 11.111 9.879 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.545 10.124 12.627 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -3.721 9.170 9.861 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -2.958 8.535 11.305 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -6.784 7.421 10.250 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.932 8.728 9.421 1.00 0.00 H new ATOM 793 N LYS A 71 -2.050 10.649 12.869 1.00 0.00 N ATOM 794 CA LYS A 71 -0.749 11.244 13.220 1.00 0.00 C ATOM 795 C LYS A 71 0.400 10.583 12.417 1.00 0.00 C ATOM 796 O LYS A 71 0.385 9.358 12.245 1.00 0.00 O ATOM 797 CB LYS A 71 -0.501 11.081 14.727 1.00 0.00 C ATOM 798 CG LYS A 71 0.233 12.249 15.372 1.00 0.00 C ATOM 799 CD LYS A 71 0.433 12.025 16.863 1.00 0.00 C ATOM 800 CE LYS A 71 1.228 13.155 17.496 1.00 0.00 C ATOM 801 NZ LYS A 71 1.466 12.922 18.947 1.00 0.00 N ATOM 0 H LYS A 71 -2.331 9.887 13.486 1.00 0.00 H new ATOM 0 HA LYS A 71 -0.771 12.304 12.966 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -1.460 10.948 15.229 1.00 0.00 H new ATOM 0 HB3 LYS A 71 0.074 10.170 14.892 1.00 0.00 H new ATOM 0 HG2 LYS A 71 1.201 12.383 14.890 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -0.332 13.168 15.213 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -0.537 11.943 17.353 1.00 0.00 H new ATOM 0 HD3 LYS A 71 0.952 11.080 17.023 1.00 0.00 H new ATOM 0 HE2 LYS A 71 2.184 13.258 16.983 1.00 0.00 H new ATOM 0 HE3 LYS A 71 0.692 14.095 17.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 2.011 13.715 19.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 0.554 12.850 19.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 2.000 12.038 19.074 1.00 0.00 H new ATOM 815 N PRO A 72 1.423 11.366 11.905 1.00 0.00 N ATOM 816 CA PRO A 72 2.555 10.799 11.129 1.00 0.00 C ATOM 817 C PRO A 72 3.523 9.960 11.981 1.00 0.00 C ATOM 818 O PRO A 72 4.030 10.425 13.011 1.00 0.00 O ATOM 819 CB PRO A 72 3.280 12.037 10.560 1.00 0.00 C ATOM 820 CG PRO A 72 2.343 13.178 10.768 1.00 0.00 C ATOM 821 CD PRO A 72 1.560 12.842 12.004 1.00 0.00 C ATOM 0 HA PRO A 72 2.192 10.110 10.366 1.00 0.00 H new ATOM 0 HB2 PRO A 72 4.226 12.208 11.073 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.510 11.906 9.503 1.00 0.00 H new ATOM 0 HG2 PRO A 72 2.888 14.114 10.892 1.00 0.00 H new ATOM 0 HG3 PRO A 72 1.684 13.304 9.909 1.00 0.00 H new ATOM 0 HD2 PRO A 72 2.085 13.141 12.911 1.00 0.00 H new ATOM 0 HD3 PRO A 72 0.590 13.340 12.018 1.00 0.00 H new ATOM 829 N VAL A 73 3.747 8.719 11.537 1.00 0.00 N ATOM 830 CA VAL A 73 4.645 7.777 12.216 1.00 0.00 C ATOM 831 C VAL A 73 6.006 7.598 11.459 1.00 0.00 C ATOM 832 O VAL A 73 6.972 7.183 12.109 1.00 0.00 O ATOM 833 CB VAL A 73 3.962 6.381 12.448 1.00 0.00 C ATOM 834 CG1 VAL A 73 4.765 5.503 13.411 1.00 0.00 C ATOM 835 CG2 VAL A 73 2.537 6.538 12.990 1.00 0.00 C ATOM 0 H VAL A 73 3.311 8.339 10.697 1.00 0.00 H new ATOM 0 HA VAL A 73 4.862 8.217 13.189 1.00 0.00 H new ATOM 0 HB VAL A 73 3.928 5.894 11.473 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.257 4.548 13.542 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.761 5.331 13.002 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.850 6.004 14.375 1.00 0.00 H new ATOM 0 HG21 VAL A 73 2.094 5.553 13.139 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.566 7.071 13.941 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.936 7.102 12.276 1.00 0.00 H new