USER MOD reduce.3.24.130724 H: found=0, std=0, add=400, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 397 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.064 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=-0.0047) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 CYS SG : rot 91:sc= -0.0869 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot -36:sc= 0.785 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.235 USER MOD Single : A 33 ASN : amide:sc= -0.464 X(o=-0.46,f=-0.13) USER MOD Single : A 45 HIS : no HD1:sc= -0.869 X(o=-0.87,f=-1.1) USER MOD Single : A 47 THR OG1 : rot -165:sc= -0.801 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.119 -7.458 -2.331 1.00 71.04 N ATOM 2 CA MET A 1 5.087 -8.471 -2.736 1.00 31.13 C ATOM 3 C MET A 1 6.067 -8.768 -1.605 1.00 43.14 C ATOM 4 O MET A 1 6.573 -7.855 -0.952 1.00 53.11 O ATOM 5 CB MET A 1 5.849 -8.011 -3.980 1.00 21.11 C ATOM 6 CG MET A 1 5.019 -8.058 -5.253 1.00 24.13 C ATOM 7 SD MET A 1 5.980 -8.572 -6.690 1.00 1.54 S ATOM 8 CE MET A 1 5.702 -10.341 -6.669 1.00 14.35 C ATOM 0 H1 MET A 1 3.462 -7.272 -3.116 1.00 71.04 H new ATOM 0 H2 MET A 1 3.585 -7.798 -1.506 1.00 71.04 H new ATOM 0 H3 MET A 1 4.618 -6.580 -2.082 1.00 71.04 H new ATOM 0 HA MET A 1 4.542 -9.385 -2.971 1.00 31.13 H new ATOM 0 HB2 MET A 1 6.202 -6.992 -3.824 1.00 21.11 H new ATOM 0 HB3 MET A 1 6.731 -8.638 -4.108 1.00 21.11 H new ATOM 0 HG2 MET A 1 4.185 -8.746 -5.113 1.00 24.13 H new ATOM 0 HG3 MET A 1 4.592 -7.073 -5.440 1.00 24.13 H new ATOM 0 HE1 MET A 1 6.234 -10.803 -7.501 1.00 14.35 H new ATOM 0 HE2 MET A 1 6.068 -10.756 -5.730 1.00 14.35 H new ATOM 0 HE3 MET A 1 4.635 -10.543 -6.764 1.00 14.35 H new ATOM 18 N LYS A 2 6.332 -10.050 -1.379 1.00 70.23 N ATOM 19 CA LYS A 2 7.253 -10.468 -0.329 1.00 35.23 C ATOM 20 C LYS A 2 8.181 -11.572 -0.826 1.00 14.11 C ATOM 21 O LYS A 2 7.821 -12.347 -1.713 1.00 25.54 O ATOM 22 CB LYS A 2 6.474 -10.955 0.896 1.00 43.12 C ATOM 23 CG LYS A 2 5.729 -9.849 1.622 1.00 53.42 C ATOM 24 CD LYS A 2 4.410 -10.345 2.191 1.00 62.00 C ATOM 25 CE LYS A 2 4.625 -11.459 3.205 1.00 53.44 C ATOM 26 NZ LYS A 2 3.421 -11.674 4.055 1.00 62.12 N ATOM 0 H LYS A 2 5.921 -10.818 -1.910 1.00 70.23 H new ATOM 0 HA LYS A 2 7.860 -9.607 -0.048 1.00 35.23 H new ATOM 0 HB2 LYS A 2 5.761 -11.717 0.583 1.00 43.12 H new ATOM 0 HB3 LYS A 2 7.166 -11.432 1.590 1.00 43.12 H new ATOM 0 HG2 LYS A 2 6.350 -9.459 2.428 1.00 53.42 H new ATOM 0 HG3 LYS A 2 5.542 -9.023 0.935 1.00 53.42 H new ATOM 0 HD2 LYS A 2 3.882 -9.517 2.665 1.00 62.00 H new ATOM 0 HD3 LYS A 2 3.776 -10.706 1.381 1.00 62.00 H new ATOM 0 HE2 LYS A 2 4.871 -12.384 2.682 1.00 53.44 H new ATOM 0 HE3 LYS A 2 5.478 -11.214 3.838 1.00 53.44 H new ATOM 0 HZ1 LYS A 2 3.607 -12.441 4.733 1.00 62.12 H new ATOM 0 HZ2 LYS A 2 3.201 -10.799 4.573 1.00 62.12 H new ATOM 0 HZ3 LYS A 2 2.613 -11.932 3.453 1.00 62.12 H new ATOM 40 N THR A 3 9.376 -11.638 -0.248 1.00 63.55 N ATOM 41 CA THR A 3 10.356 -12.647 -0.633 1.00 35.24 C ATOM 42 C THR A 3 11.413 -12.827 0.450 1.00 21.43 C ATOM 43 O THR A 3 11.681 -11.912 1.229 1.00 31.21 O ATOM 44 CB THR A 3 11.051 -12.280 -1.957 1.00 52.51 C ATOM 45 OG1 THR A 3 12.165 -13.150 -2.183 1.00 43.43 O ATOM 46 CG2 THR A 3 11.525 -10.834 -1.936 1.00 63.31 C ATOM 0 H THR A 3 9.689 -11.005 0.488 1.00 63.55 H new ATOM 0 HA THR A 3 9.812 -13.582 -0.765 1.00 35.24 H new ATOM 0 HB THR A 3 10.330 -12.398 -2.766 1.00 52.51 H new ATOM 0 HG1 THR A 3 12.601 -12.911 -3.028 1.00 43.43 H new ATOM 0 HG21 THR A 3 12.013 -10.597 -2.882 1.00 63.31 H new ATOM 0 HG22 THR A 3 10.670 -10.173 -1.793 1.00 63.31 H new ATOM 0 HG23 THR A 3 12.232 -10.695 -1.118 1.00 63.31 H new ATOM 54 N PHE A 4 12.012 -14.013 0.494 1.00 3.23 N ATOM 55 CA PHE A 4 13.041 -14.313 1.483 1.00 44.01 C ATOM 56 C PHE A 4 14.364 -13.651 1.109 1.00 64.11 C ATOM 57 O PHE A 4 14.721 -13.572 -0.066 1.00 54.24 O ATOM 58 CB PHE A 4 13.233 -15.826 1.608 1.00 55.11 C ATOM 59 CG PHE A 4 11.942 -16.587 1.711 1.00 55.32 C ATOM 60 CD1 PHE A 4 10.997 -16.248 2.666 1.00 73.21 C ATOM 61 CD2 PHE A 4 11.673 -17.641 0.853 1.00 41.15 C ATOM 62 CE1 PHE A 4 9.808 -16.946 2.763 1.00 15.01 C ATOM 63 CE2 PHE A 4 10.486 -18.342 0.945 1.00 53.04 C ATOM 64 CZ PHE A 4 9.552 -17.995 1.902 1.00 43.02 C ATOM 0 H PHE A 4 11.803 -14.781 -0.143 1.00 3.23 H new ATOM 0 HA PHE A 4 12.714 -13.915 2.443 1.00 44.01 H new ATOM 0 HB2 PHE A 4 13.790 -16.186 0.743 1.00 55.11 H new ATOM 0 HB3 PHE A 4 13.841 -16.036 2.488 1.00 55.11 H new ATOM 0 HD1 PHE A 4 11.192 -15.429 3.342 1.00 73.21 H new ATOM 0 HD2 PHE A 4 12.400 -17.918 0.104 1.00 41.15 H new ATOM 0 HE1 PHE A 4 9.080 -16.671 3.512 1.00 15.01 H new ATOM 0 HE2 PHE A 4 10.288 -19.161 0.269 1.00 53.04 H new ATOM 0 HZ PHE A 4 8.624 -18.543 1.977 1.00 43.02 H new ATOM 74 N ALA A 5 15.088 -13.177 2.118 1.00 51.22 N ATOM 75 CA ALA A 5 16.372 -12.523 1.896 1.00 33.12 C ATOM 76 C ALA A 5 17.521 -13.519 2.004 1.00 30.52 C ATOM 77 O ALA A 5 17.938 -13.885 3.104 1.00 21.00 O ATOM 78 CB ALA A 5 16.562 -11.385 2.888 1.00 45.13 C ATOM 0 H ALA A 5 14.807 -13.234 3.097 1.00 51.22 H new ATOM 0 HA ALA A 5 16.374 -12.114 0.886 1.00 33.12 H new ATOM 0 HB1 ALA A 5 17.525 -10.905 2.711 1.00 45.13 H new ATOM 0 HB2 ALA A 5 15.763 -10.654 2.761 1.00 45.13 H new ATOM 0 HB3 ALA A 5 16.534 -11.779 3.904 1.00 45.13 H new ATOM 84 N LEU A 6 18.029 -13.956 0.857 1.00 73.30 N ATOM 85 CA LEU A 6 19.130 -14.912 0.822 1.00 4.15 C ATOM 86 C LEU A 6 20.460 -14.202 0.590 1.00 41.33 C ATOM 87 O LEU A 6 20.518 -12.973 0.540 1.00 74.42 O ATOM 88 CB LEU A 6 18.896 -15.952 -0.275 1.00 14.53 C ATOM 89 CG LEU A 6 17.446 -16.393 -0.482 1.00 43.54 C ATOM 90 CD1 LEU A 6 17.326 -17.262 -1.724 1.00 74.12 C ATOM 91 CD2 LEU A 6 16.934 -17.135 0.743 1.00 61.41 C ATOM 0 H LEU A 6 17.696 -13.663 -0.062 1.00 73.30 H new ATOM 0 HA LEU A 6 19.171 -15.416 1.788 1.00 4.15 H new ATOM 0 HB2 LEU A 6 19.270 -15.549 -1.216 1.00 14.53 H new ATOM 0 HB3 LEU A 6 19.494 -16.834 -0.046 1.00 14.53 H new ATOM 0 HG LEU A 6 16.832 -15.504 -0.625 1.00 43.54 H new ATOM 0 HD11 LEU A 6 16.288 -17.567 -1.856 1.00 74.12 H new ATOM 0 HD12 LEU A 6 17.652 -16.696 -2.597 1.00 74.12 H new ATOM 0 HD13 LEU A 6 17.952 -18.147 -1.611 1.00 74.12 H new ATOM 0 HD21 LEU A 6 15.901 -17.441 0.578 1.00 61.41 H new ATOM 0 HD22 LEU A 6 17.550 -18.017 0.918 1.00 61.41 H new ATOM 0 HD23 LEU A 6 16.983 -16.479 1.612 1.00 61.41 H new ATOM 103 N GLN A 7 21.525 -14.983 0.446 1.00 24.41 N ATOM 104 CA GLN A 7 22.854 -14.429 0.217 1.00 42.51 C ATOM 105 C GLN A 7 22.846 -13.469 -0.969 1.00 24.14 C ATOM 106 O GLN A 7 22.515 -13.854 -2.089 1.00 43.13 O ATOM 107 CB GLN A 7 23.864 -15.551 -0.027 1.00 73.53 C ATOM 108 CG GLN A 7 25.271 -15.216 0.439 1.00 63.13 C ATOM 109 CD GLN A 7 26.159 -16.440 0.541 1.00 65.41 C ATOM 110 OE1 GLN A 7 25.913 -17.335 1.350 1.00 13.25 O ATOM 111 NE2 GLN A 7 27.201 -16.487 -0.282 1.00 74.10 N ATOM 0 H GLN A 7 21.494 -16.002 0.484 1.00 24.41 H new ATOM 0 HA GLN A 7 23.147 -13.875 1.109 1.00 42.51 H new ATOM 0 HB2 GLN A 7 23.525 -16.451 0.486 1.00 73.53 H new ATOM 0 HB3 GLN A 7 23.888 -15.781 -1.092 1.00 73.53 H new ATOM 0 HG2 GLN A 7 25.719 -14.504 -0.254 1.00 63.13 H new ATOM 0 HG3 GLN A 7 25.221 -14.726 1.412 1.00 63.13 H new ATOM 0 HE21 GLN A 7 27.368 -15.723 -0.937 1.00 74.10 H new ATOM 0 HE22 GLN A 7 27.834 -17.287 -0.259 1.00 74.10 H new ATOM 120 N GLY A 8 23.213 -12.217 -0.713 1.00 2.21 N ATOM 121 CA GLY A 8 23.241 -11.222 -1.769 1.00 12.42 C ATOM 122 C GLY A 8 21.852 -10.809 -2.213 1.00 74.23 C ATOM 123 O GLY A 8 21.683 -10.221 -3.282 1.00 23.22 O ATOM 0 H GLY A 8 23.491 -11.874 0.206 1.00 2.21 H new ATOM 0 HA2 GLY A 8 23.784 -10.343 -1.422 1.00 12.42 H new ATOM 0 HA3 GLY A 8 23.789 -11.619 -2.623 1.00 12.42 H new ATOM 127 N ASP A 9 20.854 -11.119 -1.393 1.00 75.12 N ATOM 128 CA ASP A 9 19.471 -10.777 -1.708 1.00 22.32 C ATOM 129 C ASP A 9 18.883 -9.857 -0.643 1.00 20.13 C ATOM 130 O ASP A 9 17.669 -9.825 -0.435 1.00 45.34 O ATOM 131 CB ASP A 9 18.625 -12.045 -1.828 1.00 34.41 C ATOM 132 CG ASP A 9 18.710 -12.670 -3.207 1.00 13.03 C ATOM 133 OD1 ASP A 9 19.813 -12.667 -3.793 1.00 13.12 O ATOM 134 OD2 ASP A 9 17.674 -13.163 -3.699 1.00 54.33 O ATOM 0 H ASP A 9 20.976 -11.606 -0.505 1.00 75.12 H new ATOM 0 HA ASP A 9 19.461 -10.251 -2.663 1.00 22.32 H new ATOM 0 HB2 ASP A 9 18.954 -12.770 -1.083 1.00 34.41 H new ATOM 0 HB3 ASP A 9 17.585 -11.807 -1.604 1.00 34.41 H new ATOM 139 N THR A 10 19.751 -9.110 0.032 1.00 45.11 N ATOM 140 CA THR A 10 19.319 -8.191 1.077 1.00 10.10 C ATOM 141 C THR A 10 18.584 -6.993 0.486 1.00 34.44 C ATOM 142 O THR A 10 18.418 -6.891 -0.730 1.00 24.30 O ATOM 143 CB THR A 10 20.512 -7.686 1.910 1.00 21.24 C ATOM 144 OG1 THR A 10 21.261 -6.723 1.160 1.00 22.54 O ATOM 145 CG2 THR A 10 21.418 -8.840 2.312 1.00 63.20 C ATOM 0 H THR A 10 20.758 -9.124 -0.127 1.00 45.11 H new ATOM 0 HA THR A 10 18.642 -8.746 1.726 1.00 10.10 H new ATOM 0 HB THR A 10 20.123 -7.218 2.814 1.00 21.24 H new ATOM 0 HG1 THR A 10 22.017 -6.406 1.697 1.00 22.54 H new ATOM 0 HG21 THR A 10 22.253 -8.459 2.899 1.00 63.20 H new ATOM 0 HG22 THR A 10 20.852 -9.556 2.908 1.00 63.20 H new ATOM 0 HG23 THR A 10 21.798 -9.333 1.417 1.00 63.20 H new ATOM 153 N LEU A 11 18.144 -6.088 1.354 1.00 61.41 N ATOM 154 CA LEU A 11 17.426 -4.896 0.918 1.00 41.24 C ATOM 155 C LEU A 11 18.194 -4.170 -0.182 1.00 42.41 C ATOM 156 O LEU A 11 17.614 -3.743 -1.181 1.00 31.33 O ATOM 157 CB LEU A 11 17.195 -3.954 2.101 1.00 71.31 C ATOM 158 CG LEU A 11 16.656 -4.601 3.377 1.00 14.45 C ATOM 159 CD1 LEU A 11 16.407 -3.547 4.445 1.00 11.23 C ATOM 160 CD2 LEU A 11 15.380 -5.377 3.084 1.00 21.04 C ATOM 0 H LEU A 11 18.272 -6.157 2.364 1.00 61.41 H new ATOM 0 HA LEU A 11 16.462 -5.209 0.517 1.00 41.24 H new ATOM 0 HB2 LEU A 11 18.138 -3.462 2.337 1.00 71.31 H new ATOM 0 HB3 LEU A 11 16.498 -3.176 1.790 1.00 71.31 H new ATOM 0 HG LEU A 11 17.404 -5.299 3.751 1.00 14.45 H new ATOM 0 HD11 LEU A 11 16.024 -4.026 5.346 1.00 11.23 H new ATOM 0 HD12 LEU A 11 17.341 -3.035 4.676 1.00 11.23 H new ATOM 0 HD13 LEU A 11 15.678 -2.824 4.080 1.00 11.23 H new ATOM 0 HD21 LEU A 11 15.011 -5.831 4.004 1.00 21.04 H new ATOM 0 HD22 LEU A 11 14.625 -4.699 2.685 1.00 21.04 H new ATOM 0 HD23 LEU A 11 15.589 -6.158 2.353 1.00 21.04 H new ATOM 172 N ASP A 12 19.502 -4.034 0.007 1.00 20.44 N ATOM 173 CA ASP A 12 20.351 -3.363 -0.970 1.00 12.20 C ATOM 174 C ASP A 12 20.258 -4.046 -2.331 1.00 23.23 C ATOM 175 O ASP A 12 20.407 -3.404 -3.370 1.00 24.40 O ATOM 176 CB ASP A 12 21.803 -3.348 -0.491 1.00 2.52 C ATOM 177 CG ASP A 12 22.028 -2.369 0.645 1.00 33.34 C ATOM 178 OD1 ASP A 12 21.032 -1.947 1.270 1.00 62.41 O ATOM 179 OD2 ASP A 12 23.199 -2.025 0.910 1.00 51.24 O ATOM 0 H ASP A 12 19.998 -4.380 0.829 1.00 20.44 H new ATOM 0 HA ASP A 12 20.001 -2.336 -1.074 1.00 12.20 H new ATOM 0 HB2 ASP A 12 22.085 -4.349 -0.165 1.00 2.52 H new ATOM 0 HB3 ASP A 12 22.455 -3.088 -1.325 1.00 2.52 H new ATOM 184 N ALA A 13 20.012 -5.352 -2.316 1.00 23.22 N ATOM 185 CA ALA A 13 19.899 -6.122 -3.548 1.00 61.31 C ATOM 186 C ALA A 13 18.472 -6.093 -4.084 1.00 71.34 C ATOM 187 O ALA A 13 18.230 -5.653 -5.209 1.00 3.23 O ATOM 188 CB ALA A 13 20.349 -7.557 -3.317 1.00 20.31 C ATOM 0 H ALA A 13 19.887 -5.899 -1.464 1.00 23.22 H new ATOM 0 HA ALA A 13 20.549 -5.665 -4.294 1.00 61.31 H new ATOM 0 HB1 ALA A 13 20.259 -8.120 -4.246 1.00 20.31 H new ATOM 0 HB2 ALA A 13 21.388 -7.564 -2.987 1.00 20.31 H new ATOM 0 HB3 ALA A 13 19.723 -8.016 -2.552 1.00 20.31 H new ATOM 194 N ILE A 14 17.531 -6.566 -3.274 1.00 54.42 N ATOM 195 CA ILE A 14 16.128 -6.593 -3.668 1.00 54.02 C ATOM 196 C ILE A 14 15.682 -5.239 -4.211 1.00 24.13 C ATOM 197 O ILE A 14 15.079 -5.156 -5.281 1.00 52.10 O ATOM 198 CB ILE A 14 15.219 -6.984 -2.488 1.00 31.41 C ATOM 199 CG1 ILE A 14 15.550 -8.399 -2.008 1.00 60.13 C ATOM 200 CG2 ILE A 14 13.755 -6.885 -2.891 1.00 2.34 C ATOM 201 CD1 ILE A 14 14.989 -8.721 -0.641 1.00 14.50 C ATOM 0 H ILE A 14 17.715 -6.936 -2.341 1.00 54.42 H new ATOM 0 HA ILE A 14 16.036 -7.344 -4.452 1.00 54.02 H new ATOM 0 HB ILE A 14 15.397 -6.290 -1.666 1.00 31.41 H new ATOM 0 HG12 ILE A 14 15.162 -9.118 -2.729 1.00 60.13 H new ATOM 0 HG13 ILE A 14 16.633 -8.522 -1.985 1.00 60.13 H new ATOM 0 HG21 ILE A 14 13.125 -7.165 -2.046 1.00 2.34 H new ATOM 0 HG22 ILE A 14 13.528 -5.862 -3.190 1.00 2.34 H new ATOM 0 HG23 ILE A 14 13.561 -7.558 -3.726 1.00 2.34 H new ATOM 0 HD11 ILE A 14 15.263 -9.740 -0.366 1.00 14.50 H new ATOM 0 HD12 ILE A 14 15.396 -8.025 0.093 1.00 14.50 H new ATOM 0 HD13 ILE A 14 13.903 -8.631 -0.663 1.00 14.50 H new ATOM 213 N CYS A 15 15.986 -4.181 -3.467 1.00 34.33 N ATOM 214 CA CYS A 15 15.618 -2.830 -3.873 1.00 53.33 C ATOM 215 C CYS A 15 16.115 -2.532 -5.284 1.00 72.12 C ATOM 216 O CYS A 15 15.476 -1.797 -6.037 1.00 75.31 O ATOM 217 CB CYS A 15 16.189 -1.806 -2.892 1.00 4.05 C ATOM 218 SG CYS A 15 15.296 -1.709 -1.323 1.00 13.33 S ATOM 0 H CYS A 15 16.486 -4.233 -2.580 1.00 34.33 H new ATOM 0 HA CYS A 15 14.530 -2.760 -3.867 1.00 53.33 H new ATOM 0 HB2 CYS A 15 17.231 -2.054 -2.690 1.00 4.05 H new ATOM 0 HB3 CYS A 15 16.181 -0.823 -3.364 1.00 4.05 H new ATOM 0 HG CYS A 15 15.831 -2.529 -0.468 1.00 13.33 H new ATOM 224 N VAL A 16 17.261 -3.107 -5.636 1.00 12.33 N ATOM 225 CA VAL A 16 17.845 -2.903 -6.956 1.00 52.20 C ATOM 226 C VAL A 16 17.270 -3.887 -7.969 1.00 2.40 C ATOM 227 O VAL A 16 17.317 -3.649 -9.176 1.00 41.20 O ATOM 228 CB VAL A 16 19.377 -3.055 -6.922 1.00 2.25 C ATOM 229 CG1 VAL A 16 19.967 -2.841 -8.307 1.00 55.43 C ATOM 230 CG2 VAL A 16 19.986 -2.086 -5.919 1.00 32.23 C ATOM 0 H VAL A 16 17.803 -3.718 -5.025 1.00 12.33 H new ATOM 0 HA VAL A 16 17.595 -1.886 -7.259 1.00 52.20 H new ATOM 0 HB VAL A 16 19.616 -4.070 -6.605 1.00 2.25 H new ATOM 0 HG11 VAL A 16 21.050 -2.953 -8.262 1.00 55.43 H new ATOM 0 HG12 VAL A 16 19.555 -3.578 -8.996 1.00 55.43 H new ATOM 0 HG13 VAL A 16 19.720 -1.839 -8.657 1.00 55.43 H new ATOM 0 HG21 VAL A 16 21.069 -2.207 -5.908 1.00 32.23 H new ATOM 0 HG22 VAL A 16 19.738 -1.064 -6.204 1.00 32.23 H new ATOM 0 HG23 VAL A 16 19.588 -2.292 -4.926 1.00 32.23 H new ATOM 240 N ARG A 17 16.728 -4.992 -7.470 1.00 34.34 N ATOM 241 CA ARG A 17 16.144 -6.013 -8.331 1.00 71.32 C ATOM 242 C ARG A 17 14.688 -5.687 -8.652 1.00 2.11 C ATOM 243 O ARG A 17 14.122 -6.206 -9.614 1.00 65.13 O ATOM 244 CB ARG A 17 16.235 -7.387 -7.664 1.00 14.22 C ATOM 245 CG ARG A 17 17.658 -7.823 -7.359 1.00 64.23 C ATOM 246 CD ARG A 17 17.858 -9.305 -7.637 1.00 4.12 C ATOM 247 NE ARG A 17 19.010 -9.549 -8.501 1.00 73.35 N ATOM 248 CZ ARG A 17 19.550 -10.749 -8.684 1.00 50.02 C ATOM 249 NH1 ARG A 17 19.045 -11.808 -8.066 1.00 45.03 N ATOM 250 NH2 ARG A 17 20.597 -10.891 -9.487 1.00 71.10 N ATOM 0 H ARG A 17 16.681 -5.204 -6.473 1.00 34.34 H new ATOM 0 HA ARG A 17 16.708 -6.031 -9.263 1.00 71.32 H new ATOM 0 HB2 ARG A 17 15.663 -7.370 -6.737 1.00 14.22 H new ATOM 0 HB3 ARG A 17 15.768 -8.128 -8.313 1.00 14.22 H new ATOM 0 HG2 ARG A 17 18.355 -7.241 -7.962 1.00 64.23 H new ATOM 0 HG3 ARG A 17 17.888 -7.613 -6.314 1.00 64.23 H new ATOM 0 HD2 ARG A 17 17.993 -9.836 -6.695 1.00 4.12 H new ATOM 0 HD3 ARG A 17 16.961 -9.710 -8.106 1.00 4.12 H new ATOM 0 HE ARG A 17 19.422 -8.755 -8.991 1.00 73.35 H new ATOM 0 HH11 ARG A 17 18.240 -11.702 -7.448 1.00 45.03 H new ATOM 0 HH12 ARG A 17 19.461 -12.728 -8.208 1.00 45.03 H new ATOM 0 HH21 ARG A 17 20.988 -10.079 -9.964 1.00 71.10 H new ATOM 0 HH22 ARG A 17 21.011 -11.813 -9.627 1.00 71.10 H new ATOM 264 N TYR A 18 14.088 -4.824 -7.839 1.00 61.43 N ATOM 265 CA TYR A 18 12.698 -4.431 -8.034 1.00 73.03 C ATOM 266 C TYR A 18 12.604 -2.999 -8.551 1.00 42.33 C ATOM 267 O TYR A 18 12.116 -2.756 -9.655 1.00 51.51 O ATOM 268 CB TYR A 18 11.920 -4.564 -6.724 1.00 75.02 C ATOM 269 CG TYR A 18 11.459 -5.975 -6.434 1.00 1.31 C ATOM 270 CD1 TYR A 18 12.377 -6.995 -6.215 1.00 40.33 C ATOM 271 CD2 TYR A 18 10.107 -6.288 -6.379 1.00 54.13 C ATOM 272 CE1 TYR A 18 11.961 -8.285 -5.950 1.00 62.24 C ATOM 273 CE2 TYR A 18 9.682 -7.575 -6.114 1.00 33.14 C ATOM 274 CZ TYR A 18 10.613 -8.570 -5.900 1.00 74.31 C ATOM 275 OH TYR A 18 10.193 -9.854 -5.637 1.00 24.24 O ATOM 0 H TYR A 18 14.543 -4.384 -7.039 1.00 61.43 H new ATOM 0 HA TYR A 18 12.260 -5.096 -8.778 1.00 73.03 H new ATOM 0 HB2 TYR A 18 12.547 -4.220 -5.902 1.00 75.02 H new ATOM 0 HB3 TYR A 18 11.051 -3.907 -6.759 1.00 75.02 H new ATOM 0 HD1 TYR A 18 13.434 -6.775 -6.253 1.00 40.33 H new ATOM 0 HD2 TYR A 18 9.375 -5.511 -6.546 1.00 54.13 H new ATOM 0 HE1 TYR A 18 12.688 -9.066 -5.783 1.00 62.24 H new ATOM 0 HE2 TYR A 18 8.627 -7.801 -6.075 1.00 33.14 H new ATOM 0 HH TYR A 18 9.213 -9.884 -5.636 1.00 24.24 H new ATOM 285 N TYR A 19 13.076 -2.054 -7.746 1.00 24.15 N ATOM 286 CA TYR A 19 13.045 -0.645 -8.119 1.00 63.11 C ATOM 287 C TYR A 19 14.281 -0.270 -8.932 1.00 14.52 C ATOM 288 O TYR A 19 14.208 0.542 -9.853 1.00 43.34 O ATOM 289 CB TYR A 19 12.956 0.233 -6.870 1.00 44.40 C ATOM 290 CG TYR A 19 11.995 -0.291 -5.828 1.00 33.11 C ATOM 291 CD1 TYR A 19 10.627 -0.081 -5.948 1.00 74.11 C ATOM 292 CD2 TYR A 19 12.454 -0.998 -4.723 1.00 44.23 C ATOM 293 CE1 TYR A 19 9.745 -0.558 -4.998 1.00 14.01 C ATOM 294 CE2 TYR A 19 11.580 -1.480 -3.769 1.00 15.31 C ATOM 295 CZ TYR A 19 10.226 -1.257 -3.910 1.00 53.24 C ATOM 296 OH TYR A 19 9.350 -1.735 -2.962 1.00 42.34 O ATOM 0 H TYR A 19 13.485 -2.238 -6.830 1.00 24.15 H new ATOM 0 HA TYR A 19 12.162 -0.477 -8.736 1.00 63.11 H new ATOM 0 HB2 TYR A 19 13.948 0.320 -6.426 1.00 44.40 H new ATOM 0 HB3 TYR A 19 12.649 1.237 -7.163 1.00 44.40 H new ATOM 0 HD1 TYR A 19 10.247 0.465 -6.799 1.00 74.11 H new ATOM 0 HD2 TYR A 19 13.513 -1.174 -4.608 1.00 44.23 H new ATOM 0 HE1 TYR A 19 8.685 -0.385 -5.106 1.00 14.01 H new ATOM 0 HE2 TYR A 19 11.954 -2.028 -2.917 1.00 15.31 H new ATOM 0 HH TYR A 19 8.616 -1.096 -2.843 1.00 42.34 H new ATOM 306 N GLY A 20 15.415 -0.868 -8.583 1.00 23.23 N ATOM 307 CA GLY A 20 16.651 -0.585 -9.289 1.00 21.31 C ATOM 308 C GLY A 20 17.456 0.518 -8.630 1.00 71.53 C ATOM 309 O GLY A 20 18.324 1.122 -9.260 1.00 3.03 O ATOM 0 H GLY A 20 15.500 -1.544 -7.824 1.00 23.23 H new ATOM 0 HA2 GLY A 20 17.254 -1.492 -9.337 1.00 21.31 H new ATOM 0 HA3 GLY A 20 16.422 -0.300 -10.316 1.00 21.31 H new ATOM 313 N ARG A 21 17.166 0.782 -7.360 1.00 62.35 N ATOM 314 CA ARG A 21 17.868 1.822 -6.617 1.00 74.52 C ATOM 315 C ARG A 21 17.608 1.688 -5.119 1.00 52.55 C ATOM 316 O ARG A 21 16.713 0.957 -4.696 1.00 34.54 O ATOM 317 CB ARG A 21 17.431 3.206 -7.100 1.00 63.14 C ATOM 318 CG ARG A 21 15.961 3.501 -6.855 1.00 14.11 C ATOM 319 CD ARG A 21 15.094 3.002 -8.000 1.00 54.22 C ATOM 320 NE ARG A 21 14.213 4.047 -8.516 1.00 4.31 N ATOM 321 CZ ARG A 21 13.107 4.447 -7.899 1.00 32.41 C ATOM 322 NH1 ARG A 21 12.747 3.891 -6.750 1.00 3.41 N ATOM 323 NH2 ARG A 21 12.358 5.404 -8.431 1.00 74.22 N ATOM 0 H ARG A 21 16.450 0.291 -6.824 1.00 62.35 H new ATOM 0 HA ARG A 21 18.937 1.704 -6.795 1.00 74.52 H new ATOM 0 HB2 ARG A 21 18.033 3.963 -6.598 1.00 63.14 H new ATOM 0 HB3 ARG A 21 17.637 3.291 -8.167 1.00 63.14 H new ATOM 0 HG2 ARG A 21 15.644 3.029 -5.925 1.00 14.11 H new ATOM 0 HG3 ARG A 21 15.820 4.575 -6.732 1.00 14.11 H new ATOM 0 HD2 ARG A 21 15.732 2.636 -8.805 1.00 54.22 H new ATOM 0 HD3 ARG A 21 14.494 2.158 -7.659 1.00 54.22 H new ATOM 0 HE ARG A 21 14.461 4.494 -9.399 1.00 4.31 H new ATOM 0 HH11 ARG A 21 13.320 3.154 -6.338 1.00 3.41 H new ATOM 0 HH12 ARG A 21 11.897 4.200 -6.278 1.00 3.41 H new ATOM 0 HH21 ARG A 21 12.631 5.833 -9.315 1.00 74.22 H new ATOM 0 HH22 ARG A 21 11.509 5.710 -7.956 1.00 74.22 H new ATOM 337 N THR A 22 18.397 2.401 -4.321 1.00 62.15 N ATOM 338 CA THR A 22 18.254 2.362 -2.872 1.00 22.54 C ATOM 339 C THR A 22 17.935 3.743 -2.313 1.00 1.42 C ATOM 340 O THR A 22 17.241 3.870 -1.305 1.00 21.54 O ATOM 341 CB THR A 22 19.532 1.829 -2.195 1.00 51.44 C ATOM 342 OG1 THR A 22 20.683 2.197 -2.964 1.00 54.12 O ATOM 343 CG2 THR A 22 19.476 0.316 -2.049 1.00 3.35 C ATOM 0 H THR A 22 19.142 3.013 -4.655 1.00 62.15 H new ATOM 0 HA THR A 22 17.427 1.686 -2.655 1.00 22.54 H new ATOM 0 HB THR A 22 19.602 2.272 -1.201 1.00 51.44 H new ATOM 0 HG1 THR A 22 21.491 1.856 -2.527 1.00 54.12 H new ATOM 0 HG21 THR A 22 20.389 -0.037 -1.569 1.00 3.35 H new ATOM 0 HG22 THR A 22 18.615 0.041 -1.439 1.00 3.35 H new ATOM 0 HG23 THR A 22 19.384 -0.141 -3.034 1.00 3.35 H new ATOM 351 N GLU A 23 18.446 4.777 -2.975 1.00 33.10 N ATOM 352 CA GLU A 23 18.214 6.150 -2.543 1.00 10.14 C ATOM 353 C GLU A 23 16.722 6.470 -2.525 1.00 1.52 C ATOM 354 O GLU A 23 16.079 6.544 -3.571 1.00 44.22 O ATOM 355 CB GLU A 23 18.946 7.129 -3.463 1.00 70.44 C ATOM 356 CG GLU A 23 19.379 8.409 -2.770 1.00 13.42 C ATOM 357 CD GLU A 23 18.244 9.404 -2.620 1.00 33.45 C ATOM 358 OE1 GLU A 23 17.532 9.340 -1.595 1.00 3.41 O ATOM 359 OE2 GLU A 23 18.067 10.244 -3.526 1.00 14.23 O ATOM 0 H GLU A 23 19.023 4.690 -3.812 1.00 33.10 H new ATOM 0 HA GLU A 23 18.603 6.255 -1.530 1.00 10.14 H new ATOM 0 HB2 GLU A 23 19.825 6.636 -3.878 1.00 70.44 H new ATOM 0 HB3 GLU A 23 18.296 7.382 -4.301 1.00 70.44 H new ATOM 0 HG2 GLU A 23 19.778 8.167 -1.785 1.00 13.42 H new ATOM 0 HG3 GLU A 23 20.188 8.869 -3.337 1.00 13.42 H new ATOM 366 N GLY A 24 16.177 6.660 -1.327 1.00 25.54 N ATOM 367 CA GLY A 24 14.766 6.969 -1.194 1.00 32.12 C ATOM 368 C GLY A 24 13.910 5.725 -1.060 1.00 52.14 C ATOM 369 O GLY A 24 12.742 5.804 -0.680 1.00 13.32 O ATOM 0 H GLY A 24 16.688 6.605 -0.446 1.00 25.54 H new ATOM 0 HA2 GLY A 24 14.617 7.604 -0.321 1.00 32.12 H new ATOM 0 HA3 GLY A 24 14.439 7.540 -2.063 1.00 32.12 H new ATOM 373 N VAL A 25 14.491 4.572 -1.376 1.00 31.12 N ATOM 374 CA VAL A 25 13.773 3.306 -1.290 1.00 24.42 C ATOM 375 C VAL A 25 14.097 2.578 0.010 1.00 62.40 C ATOM 376 O VAL A 25 13.213 2.017 0.657 1.00 71.50 O ATOM 377 CB VAL A 25 14.113 2.386 -2.478 1.00 55.53 C ATOM 378 CG1 VAL A 25 13.209 1.163 -2.482 1.00 70.11 C ATOM 379 CG2 VAL A 25 13.998 3.148 -3.790 1.00 53.31 C ATOM 0 H VAL A 25 15.457 4.489 -1.694 1.00 31.12 H new ATOM 0 HA VAL A 25 12.709 3.543 -1.316 1.00 24.42 H new ATOM 0 HB VAL A 25 15.143 2.046 -2.370 1.00 55.53 H new ATOM 0 HG11 VAL A 25 13.464 0.525 -3.328 1.00 70.11 H new ATOM 0 HG12 VAL A 25 13.345 0.607 -1.554 1.00 70.11 H new ATOM 0 HG13 VAL A 25 12.169 1.479 -2.566 1.00 70.11 H new ATOM 0 HG21 VAL A 25 14.241 2.484 -4.619 1.00 53.31 H new ATOM 0 HG22 VAL A 25 12.979 3.517 -3.908 1.00 53.31 H new ATOM 0 HG23 VAL A 25 14.691 3.990 -3.784 1.00 53.31 H new ATOM 389 N VAL A 26 15.372 2.591 0.388 1.00 53.13 N ATOM 390 CA VAL A 26 15.813 1.934 1.612 1.00 62.42 C ATOM 391 C VAL A 26 15.014 2.420 2.816 1.00 61.33 C ATOM 392 O VAL A 26 14.699 1.644 3.718 1.00 42.23 O ATOM 393 CB VAL A 26 17.312 2.178 1.871 1.00 14.33 C ATOM 394 CG1 VAL A 26 18.156 1.502 0.802 1.00 2.12 C ATOM 395 CG2 VAL A 26 17.605 3.670 1.930 1.00 20.21 C ATOM 0 H VAL A 26 16.117 3.050 -0.136 1.00 53.13 H new ATOM 0 HA VAL A 26 15.645 0.866 1.476 1.00 62.42 H new ATOM 0 HB VAL A 26 17.573 1.741 2.835 1.00 14.33 H new ATOM 0 HG11 VAL A 26 19.212 1.686 1.002 1.00 2.12 H new ATOM 0 HG12 VAL A 26 17.966 0.429 0.813 1.00 2.12 H new ATOM 0 HG13 VAL A 26 17.896 1.906 -0.176 1.00 2.12 H new ATOM 0 HG21 VAL A 26 18.668 3.825 2.114 1.00 20.21 H new ATOM 0 HG22 VAL A 26 17.329 4.133 0.982 1.00 20.21 H new ATOM 0 HG23 VAL A 26 17.028 4.123 2.736 1.00 20.21 H new ATOM 405 N GLU A 27 14.689 3.709 2.822 1.00 70.30 N ATOM 406 CA GLU A 27 13.926 4.298 3.916 1.00 3.11 C ATOM 407 C GLU A 27 12.520 3.709 3.978 1.00 52.41 C ATOM 408 O GLU A 27 11.889 3.686 5.036 1.00 63.14 O ATOM 409 CB GLU A 27 13.848 5.817 3.753 1.00 43.55 C ATOM 410 CG GLU A 27 15.200 6.508 3.825 1.00 61.55 C ATOM 411 CD GLU A 27 15.135 7.963 3.405 1.00 41.21 C ATOM 412 OE1 GLU A 27 14.196 8.327 2.668 1.00 55.45 O ATOM 413 OE2 GLU A 27 16.024 8.738 3.815 1.00 44.42 O ATOM 0 H GLU A 27 14.942 4.364 2.083 1.00 70.30 H new ATOM 0 HA GLU A 27 14.440 4.066 4.849 1.00 3.11 H new ATOM 0 HB2 GLU A 27 13.382 6.048 2.795 1.00 43.55 H new ATOM 0 HB3 GLU A 27 13.200 6.224 4.529 1.00 43.55 H new ATOM 0 HG2 GLU A 27 15.582 6.445 4.844 1.00 61.55 H new ATOM 0 HG3 GLU A 27 15.908 5.981 3.186 1.00 61.55 H new ATOM 420 N THR A 28 12.033 3.235 2.836 1.00 75.43 N ATOM 421 CA THR A 28 10.701 2.648 2.758 1.00 31.51 C ATOM 422 C THR A 28 10.665 1.276 3.422 1.00 21.05 C ATOM 423 O THR A 28 9.928 1.060 4.384 1.00 32.04 O ATOM 424 CB THR A 28 10.232 2.510 1.297 1.00 14.24 C ATOM 425 OG1 THR A 28 10.962 3.414 0.461 1.00 25.01 O ATOM 426 CG2 THR A 28 8.742 2.794 1.179 1.00 73.22 C ATOM 0 H THR A 28 12.541 3.246 1.952 1.00 75.43 H new ATOM 0 HA THR A 28 10.027 3.323 3.286 1.00 31.51 H new ATOM 0 HB THR A 28 10.418 1.486 0.974 1.00 14.24 H new ATOM 0 HG1 THR A 28 10.659 3.319 -0.466 1.00 25.01 H new ATOM 0 HG21 THR A 28 8.433 2.691 0.139 1.00 73.22 H new ATOM 0 HG22 THR A 28 8.187 2.086 1.794 1.00 73.22 H new ATOM 0 HG23 THR A 28 8.537 3.809 1.519 1.00 73.22 H new ATOM 434 N VAL A 29 11.467 0.351 2.904 1.00 53.22 N ATOM 435 CA VAL A 29 11.528 -1.000 3.448 1.00 10.03 C ATOM 436 C VAL A 29 11.763 -0.975 4.954 1.00 21.44 C ATOM 437 O VAL A 29 11.168 -1.755 5.700 1.00 54.33 O ATOM 438 CB VAL A 29 12.643 -1.825 2.779 1.00 5.21 C ATOM 439 CG1 VAL A 29 12.641 -3.252 3.304 1.00 34.24 C ATOM 440 CG2 VAL A 29 12.486 -1.804 1.266 1.00 30.32 C ATOM 0 H VAL A 29 12.084 0.513 2.108 1.00 53.22 H new ATOM 0 HA VAL A 29 10.566 -1.469 3.241 1.00 10.03 H new ATOM 0 HB VAL A 29 13.604 -1.374 3.028 1.00 5.21 H new ATOM 0 HG11 VAL A 29 13.436 -3.819 2.819 1.00 34.24 H new ATOM 0 HG12 VAL A 29 12.806 -3.244 4.381 1.00 34.24 H new ATOM 0 HG13 VAL A 29 11.679 -3.718 3.088 1.00 34.24 H new ATOM 0 HG21 VAL A 29 13.282 -2.392 0.809 1.00 30.32 H new ATOM 0 HG22 VAL A 29 11.520 -2.229 0.995 1.00 30.32 H new ATOM 0 HG23 VAL A 29 12.543 -0.776 0.908 1.00 30.32 H new ATOM 450 N LEU A 30 12.634 -0.075 5.397 1.00 63.41 N ATOM 451 CA LEU A 30 12.949 0.052 6.816 1.00 54.13 C ATOM 452 C LEU A 30 11.751 0.590 7.592 1.00 2.35 C ATOM 453 O LEU A 30 11.573 0.280 8.770 1.00 54.41 O ATOM 454 CB LEU A 30 14.154 0.974 7.010 1.00 15.15 C ATOM 455 CG LEU A 30 15.514 0.286 7.122 1.00 63.41 C ATOM 456 CD1 LEU A 30 16.245 0.329 5.789 1.00 70.52 C ATOM 457 CD2 LEU A 30 16.353 0.935 8.213 1.00 50.31 C ATOM 0 H LEU A 30 13.135 0.578 4.794 1.00 63.41 H new ATOM 0 HA LEU A 30 13.192 -0.938 7.200 1.00 54.13 H new ATOM 0 HB2 LEU A 30 14.190 1.672 6.174 1.00 15.15 H new ATOM 0 HB3 LEU A 30 13.993 1.565 7.912 1.00 15.15 H new ATOM 0 HG LEU A 30 15.350 -0.758 7.390 1.00 63.41 H new ATOM 0 HD11 LEU A 30 17.211 -0.166 5.888 1.00 70.52 H new ATOM 0 HD12 LEU A 30 15.651 -0.183 5.032 1.00 70.52 H new ATOM 0 HD13 LEU A 30 16.397 1.366 5.491 1.00 70.52 H new ATOM 0 HD21 LEU A 30 17.318 0.432 8.278 1.00 50.31 H new ATOM 0 HD22 LEU A 30 16.508 1.987 7.975 1.00 50.31 H new ATOM 0 HD23 LEU A 30 15.835 0.851 9.168 1.00 50.31 H new ATOM 469 N ALA A 31 10.933 1.396 6.924 1.00 12.42 N ATOM 470 CA ALA A 31 9.750 1.974 7.550 1.00 1.13 C ATOM 471 C ALA A 31 8.633 0.943 7.671 1.00 63.35 C ATOM 472 O ALA A 31 7.829 0.990 8.601 1.00 41.33 O ATOM 473 CB ALA A 31 9.272 3.183 6.760 1.00 53.00 C ATOM 0 H ALA A 31 11.068 1.664 5.949 1.00 12.42 H new ATOM 0 HA ALA A 31 10.022 2.295 8.555 1.00 1.13 H new ATOM 0 HB1 ALA A 31 8.388 3.604 7.239 1.00 53.00 H new ATOM 0 HB2 ALA A 31 10.062 3.934 6.731 1.00 53.00 H new ATOM 0 HB3 ALA A 31 9.023 2.878 5.743 1.00 53.00 H new ATOM 479 N ALA A 32 8.590 0.012 6.723 1.00 34.42 N ATOM 480 CA ALA A 32 7.572 -1.032 6.724 1.00 20.02 C ATOM 481 C ALA A 32 8.023 -2.238 7.541 1.00 1.25 C ATOM 482 O ALA A 32 7.200 -3.007 8.037 1.00 43.35 O ATOM 483 CB ALA A 32 7.244 -1.451 5.299 1.00 42.13 C ATOM 0 H ALA A 32 9.248 -0.041 5.945 1.00 34.42 H new ATOM 0 HA ALA A 32 6.673 -0.627 7.188 1.00 20.02 H new ATOM 0 HB1 ALA A 32 6.483 -2.231 5.315 1.00 42.13 H new ATOM 0 HB2 ALA A 32 6.870 -0.591 4.744 1.00 42.13 H new ATOM 0 HB3 ALA A 32 8.144 -1.832 4.816 1.00 42.13 H new ATOM 489 N ASN A 33 9.336 -2.397 7.678 1.00 54.12 N ATOM 490 CA ASN A 33 9.896 -3.511 8.434 1.00 10.34 C ATOM 491 C ASN A 33 10.990 -3.029 9.382 1.00 2.31 C ATOM 492 O ASN A 33 12.181 -3.246 9.157 1.00 31.21 O ATOM 493 CB ASN A 33 10.459 -4.568 7.483 1.00 21.52 C ATOM 494 CG ASN A 33 9.418 -5.081 6.507 1.00 40.02 C ATOM 495 OD1 ASN A 33 8.660 -6.001 6.816 1.00 2.52 O ATOM 496 ND2 ASN A 33 9.377 -4.487 5.320 1.00 12.50 N ATOM 0 H ASN A 33 10.031 -1.769 7.275 1.00 54.12 H new ATOM 0 HA ASN A 33 9.096 -3.955 9.026 1.00 10.34 H new ATOM 0 HB2 ASN A 33 11.296 -4.144 6.928 1.00 21.52 H new ATOM 0 HB3 ASN A 33 10.851 -5.403 8.063 1.00 21.52 H new ATOM 0 HD21 ASN A 33 8.698 -4.789 4.622 1.00 12.50 H new ATOM 0 HD22 ASN A 33 10.024 -3.728 5.107 1.00 12.50 H new ATOM 503 N PRO A 34 10.579 -2.358 10.469 1.00 72.43 N ATOM 504 CA PRO A 34 11.508 -1.833 11.473 1.00 10.32 C ATOM 505 C PRO A 34 12.170 -2.940 12.286 1.00 10.24 C ATOM 506 O PRO A 34 11.567 -3.982 12.540 1.00 4.13 O ATOM 507 CB PRO A 34 10.613 -0.973 12.369 1.00 35.54 C ATOM 508 CG PRO A 34 9.250 -1.557 12.214 1.00 4.45 C ATOM 509 CD PRO A 34 9.175 -2.063 10.801 1.00 50.35 C ATOM 0 HA PRO A 34 12.332 -1.284 11.018 1.00 10.32 H new ATOM 0 HB2 PRO A 34 10.943 -1.007 13.407 1.00 35.54 H new ATOM 0 HB3 PRO A 34 10.633 0.073 12.062 1.00 35.54 H new ATOM 0 HG2 PRO A 34 9.088 -2.365 12.927 1.00 4.45 H new ATOM 0 HG3 PRO A 34 8.481 -0.808 12.402 1.00 4.45 H new ATOM 0 HD2 PRO A 34 8.549 -2.952 10.725 1.00 50.35 H new ATOM 0 HD3 PRO A 34 8.751 -1.317 10.129 1.00 50.35 H new ATOM 517 N GLY A 35 13.414 -2.706 12.693 1.00 63.42 N ATOM 518 CA GLY A 35 14.137 -3.693 13.473 1.00 21.35 C ATOM 519 C GLY A 35 14.947 -4.638 12.607 1.00 12.15 C ATOM 520 O GLY A 35 15.861 -5.307 13.092 1.00 51.34 O ATOM 0 H GLY A 35 13.934 -1.851 12.496 1.00 63.42 H new ATOM 0 HA2 GLY A 35 14.802 -3.184 14.170 1.00 21.35 H new ATOM 0 HA3 GLY A 35 13.430 -4.269 14.070 1.00 21.35 H new ATOM 524 N LEU A 36 14.611 -4.695 11.323 1.00 31.25 N ATOM 525 CA LEU A 36 15.313 -5.567 10.387 1.00 15.33 C ATOM 526 C LEU A 36 16.754 -5.108 10.192 1.00 1.10 C ATOM 527 O LEU A 36 17.669 -5.926 10.099 1.00 11.31 O ATOM 528 CB LEU A 36 14.586 -5.592 9.041 1.00 5.32 C ATOM 529 CG LEU A 36 14.633 -6.916 8.278 1.00 45.33 C ATOM 530 CD1 LEU A 36 16.066 -7.266 7.904 1.00 35.15 C ATOM 531 CD2 LEU A 36 14.008 -8.030 9.104 1.00 73.14 C ATOM 0 H LEU A 36 13.857 -4.148 10.906 1.00 31.25 H new ATOM 0 HA LEU A 36 15.326 -6.574 10.805 1.00 15.33 H new ATOM 0 HB2 LEU A 36 13.542 -5.330 9.210 1.00 5.32 H new ATOM 0 HB3 LEU A 36 15.011 -4.815 8.406 1.00 5.32 H new ATOM 0 HG LEU A 36 14.056 -6.805 7.360 1.00 45.33 H new ATOM 0 HD11 LEU A 36 16.080 -8.211 7.362 1.00 35.15 H new ATOM 0 HD12 LEU A 36 16.480 -6.479 7.273 1.00 35.15 H new ATOM 0 HD13 LEU A 36 16.666 -7.358 8.809 1.00 35.15 H new ATOM 0 HD21 LEU A 36 14.050 -8.965 8.545 1.00 73.14 H new ATOM 0 HD22 LEU A 36 14.557 -8.141 10.039 1.00 73.14 H new ATOM 0 HD23 LEU A 36 12.969 -7.783 9.320 1.00 73.14 H new ATOM 543 N ALA A 37 16.949 -3.795 10.133 1.00 52.41 N ATOM 544 CA ALA A 37 18.279 -3.227 9.953 1.00 2.13 C ATOM 545 C ALA A 37 19.185 -3.566 11.132 1.00 33.53 C ATOM 546 O ALA A 37 20.382 -3.794 10.961 1.00 12.12 O ATOM 547 CB ALA A 37 18.189 -1.719 9.771 1.00 5.04 C ATOM 0 H ALA A 37 16.202 -3.104 10.207 1.00 52.41 H new ATOM 0 HA ALA A 37 18.715 -3.665 9.055 1.00 2.13 H new ATOM 0 HB1 ALA A 37 19.190 -1.308 9.638 1.00 5.04 H new ATOM 0 HB2 ALA A 37 17.584 -1.494 8.892 1.00 5.04 H new ATOM 0 HB3 ALA A 37 17.728 -1.273 10.652 1.00 5.04 H new ATOM 553 N GLU A 38 18.605 -3.598 12.328 1.00 32.11 N ATOM 554 CA GLU A 38 19.362 -3.909 13.535 1.00 14.43 C ATOM 555 C GLU A 38 19.939 -5.320 13.468 1.00 52.42 C ATOM 556 O GLU A 38 20.911 -5.639 14.154 1.00 14.41 O ATOM 557 CB GLU A 38 18.472 -3.769 14.772 1.00 15.50 C ATOM 558 CG GLU A 38 17.777 -2.421 14.873 1.00 51.15 C ATOM 559 CD GLU A 38 17.536 -1.994 16.308 1.00 64.14 C ATOM 560 OE1 GLU A 38 16.969 -2.796 17.079 1.00 65.14 O ATOM 561 OE2 GLU A 38 17.916 -0.857 16.659 1.00 33.33 O ATOM 0 H GLU A 38 17.615 -3.413 12.487 1.00 32.11 H new ATOM 0 HA GLU A 38 20.187 -3.201 13.607 1.00 14.43 H new ATOM 0 HB2 GLU A 38 17.719 -4.557 14.758 1.00 15.50 H new ATOM 0 HB3 GLU A 38 19.078 -3.924 15.665 1.00 15.50 H new ATOM 0 HG2 GLU A 38 18.382 -1.666 14.370 1.00 51.15 H new ATOM 0 HG3 GLU A 38 16.823 -2.468 14.347 1.00 51.15 H new ATOM 568 N LEU A 39 19.334 -6.161 12.637 1.00 55.34 N ATOM 569 CA LEU A 39 19.786 -7.539 12.479 1.00 40.43 C ATOM 570 C LEU A 39 21.279 -7.590 12.171 1.00 2.55 C ATOM 571 O LEU A 39 22.037 -8.291 12.840 1.00 63.12 O ATOM 572 CB LEU A 39 19.000 -8.229 11.363 1.00 62.42 C ATOM 573 CG LEU A 39 19.230 -9.734 11.212 1.00 1.41 C ATOM 574 CD1 LEU A 39 19.021 -10.441 12.542 1.00 65.41 C ATOM 575 CD2 LEU A 39 18.307 -10.310 10.148 1.00 23.23 C ATOM 0 H LEU A 39 18.529 -5.913 12.062 1.00 55.34 H new ATOM 0 HA LEU A 39 19.609 -8.064 13.418 1.00 40.43 H new ATOM 0 HB2 LEU A 39 17.937 -8.060 11.536 1.00 62.42 H new ATOM 0 HB3 LEU A 39 19.250 -7.747 10.418 1.00 62.42 H new ATOM 0 HG LEU A 39 20.261 -9.896 10.896 1.00 1.41 H new ATOM 0 HD11 LEU A 39 19.189 -11.511 12.416 1.00 65.41 H new ATOM 0 HD12 LEU A 39 19.723 -10.048 13.277 1.00 65.41 H new ATOM 0 HD13 LEU A 39 18.001 -10.272 12.888 1.00 65.41 H new ATOM 0 HD21 LEU A 39 18.484 -11.381 10.054 1.00 23.23 H new ATOM 0 HD22 LEU A 39 17.269 -10.138 10.434 1.00 23.23 H new ATOM 0 HD23 LEU A 39 18.505 -9.824 9.193 1.00 23.23 H new ATOM 587 N GLY A 40 21.695 -6.839 11.156 1.00 4.20 N ATOM 588 CA GLY A 40 23.097 -6.811 10.779 1.00 34.24 C ATOM 589 C GLY A 40 23.297 -6.463 9.318 1.00 64.53 C ATOM 590 O GLY A 40 22.502 -5.729 8.733 1.00 42.33 O ATOM 0 H GLY A 40 21.087 -6.249 10.588 1.00 4.20 H new ATOM 0 HA2 GLY A 40 23.622 -6.083 11.398 1.00 34.24 H new ATOM 0 HA3 GLY A 40 23.544 -7.784 10.982 1.00 34.24 H new ATOM 594 N ALA A 41 24.364 -6.991 8.727 1.00 63.43 N ATOM 595 CA ALA A 41 24.667 -6.733 7.324 1.00 11.14 C ATOM 596 C ALA A 41 23.706 -7.483 6.408 1.00 12.51 C ATOM 597 O ALA A 41 22.794 -6.891 5.830 1.00 43.50 O ATOM 598 CB ALA A 41 26.105 -7.121 7.015 1.00 42.23 C ATOM 0 H ALA A 41 25.033 -7.600 9.198 1.00 63.43 H new ATOM 0 HA ALA A 41 24.543 -5.666 7.141 1.00 11.14 H new ATOM 0 HB1 ALA A 41 26.318 -6.923 5.964 1.00 42.23 H new ATOM 0 HB2 ALA A 41 26.782 -6.536 7.638 1.00 42.23 H new ATOM 0 HB3 ALA A 41 26.248 -8.182 7.220 1.00 42.23 H new ATOM 604 N VAL A 42 23.916 -8.789 6.279 1.00 12.22 N ATOM 605 CA VAL A 42 23.068 -9.620 5.433 1.00 14.31 C ATOM 606 C VAL A 42 22.012 -10.347 6.259 1.00 65.44 C ATOM 607 O VAL A 42 22.261 -10.735 7.401 1.00 14.12 O ATOM 608 CB VAL A 42 23.897 -10.656 4.652 1.00 42.00 C ATOM 609 CG1 VAL A 42 22.996 -11.505 3.768 1.00 42.53 C ATOM 610 CG2 VAL A 42 24.971 -9.965 3.826 1.00 40.44 C ATOM 0 H VAL A 42 24.666 -9.295 6.750 1.00 12.22 H new ATOM 0 HA VAL A 42 22.576 -8.953 4.725 1.00 14.31 H new ATOM 0 HB VAL A 42 24.389 -11.315 5.367 1.00 42.00 H new ATOM 0 HG11 VAL A 42 23.600 -12.231 3.224 1.00 42.53 H new ATOM 0 HG12 VAL A 42 22.268 -12.029 4.387 1.00 42.53 H new ATOM 0 HG13 VAL A 42 22.473 -10.864 3.058 1.00 42.53 H new ATOM 0 HG21 VAL A 42 25.547 -10.712 3.281 1.00 40.44 H new ATOM 0 HG22 VAL A 42 24.502 -9.281 3.119 1.00 40.44 H new ATOM 0 HG23 VAL A 42 25.634 -9.406 4.486 1.00 40.44 H new ATOM 620 N LEU A 43 20.834 -10.531 5.673 1.00 2.41 N ATOM 621 CA LEU A 43 19.739 -11.213 6.354 1.00 24.21 C ATOM 622 C LEU A 43 19.855 -12.725 6.190 1.00 33.34 C ATOM 623 O LEU A 43 20.416 -13.228 5.217 1.00 53.05 O ATOM 624 CB LEU A 43 18.394 -10.731 5.809 1.00 10.20 C ATOM 625 CG LEU A 43 18.189 -9.216 5.771 1.00 22.03 C ATOM 626 CD1 LEU A 43 18.843 -8.559 6.977 1.00 51.21 C ATOM 627 CD2 LEU A 43 18.744 -8.635 4.479 1.00 54.12 C ATOM 0 H LEU A 43 20.613 -10.218 4.728 1.00 2.41 H new ATOM 0 HA LEU A 43 19.799 -10.975 7.416 1.00 24.21 H new ATOM 0 HB2 LEU A 43 18.274 -11.119 4.797 1.00 10.20 H new ATOM 0 HB3 LEU A 43 17.601 -11.170 6.415 1.00 10.20 H new ATOM 0 HG LEU A 43 17.119 -9.012 5.807 1.00 22.03 H new ATOM 0 HD11 LEU A 43 18.687 -7.481 6.933 1.00 51.21 H new ATOM 0 HD12 LEU A 43 18.399 -8.953 7.891 1.00 51.21 H new ATOM 0 HD13 LEU A 43 19.912 -8.771 6.972 1.00 51.21 H new ATOM 0 HD21 LEU A 43 18.589 -7.556 4.469 1.00 54.12 H new ATOM 0 HD22 LEU A 43 19.811 -8.849 4.412 1.00 54.12 H new ATOM 0 HD23 LEU A 43 18.230 -9.083 3.628 1.00 54.12 H new ATOM 639 N PRO A 44 19.310 -13.469 7.164 1.00 33.42 N ATOM 640 CA PRO A 44 19.336 -14.935 7.149 1.00 21.04 C ATOM 641 C PRO A 44 18.438 -15.520 6.065 1.00 32.10 C ATOM 642 O PRO A 44 17.234 -15.260 6.034 1.00 4.05 O ATOM 643 CB PRO A 44 18.814 -15.313 8.538 1.00 63.32 C ATOM 644 CG PRO A 44 17.978 -14.154 8.957 1.00 2.31 C ATOM 645 CD PRO A 44 18.625 -12.937 8.354 1.00 22.45 C ATOM 0 HA PRO A 44 20.331 -15.323 6.932 1.00 21.04 H new ATOM 0 HB2 PRO A 44 18.228 -16.232 8.504 1.00 63.32 H new ATOM 0 HB3 PRO A 44 19.634 -15.483 9.236 1.00 63.32 H new ATOM 0 HG2 PRO A 44 16.952 -14.265 8.605 1.00 2.31 H new ATOM 0 HG3 PRO A 44 17.936 -14.076 10.043 1.00 2.31 H new ATOM 0 HD2 PRO A 44 17.887 -12.180 8.088 1.00 22.45 H new ATOM 0 HD3 PRO A 44 19.326 -12.470 9.046 1.00 22.45 H new ATOM 653 N HIS A 45 19.029 -16.312 5.176 1.00 24.03 N ATOM 654 CA HIS A 45 18.281 -16.935 4.090 1.00 24.22 C ATOM 655 C HIS A 45 17.053 -17.665 4.625 1.00 12.42 C ATOM 656 O HIS A 45 17.163 -18.741 5.210 1.00 25.21 O ATOM 657 CB HIS A 45 19.174 -17.911 3.322 1.00 13.32 C ATOM 658 CG HIS A 45 19.866 -18.907 4.200 1.00 5.01 C ATOM 659 ND1 HIS A 45 19.407 -20.193 4.387 1.00 73.52 N ATOM 660 CD2 HIS A 45 20.993 -18.800 4.943 1.00 12.01 C ATOM 661 CE1 HIS A 45 20.219 -20.834 5.208 1.00 22.20 C ATOM 662 NE2 HIS A 45 21.190 -20.011 5.560 1.00 43.12 N ATOM 0 H HIS A 45 20.024 -16.537 5.186 1.00 24.03 H new ATOM 0 HA HIS A 45 17.948 -16.148 3.413 1.00 24.22 H new ATOM 0 HB2 HIS A 45 18.569 -18.444 2.589 1.00 13.32 H new ATOM 0 HB3 HIS A 45 19.923 -17.346 2.767 1.00 13.32 H new ATOM 0 HD2 HIS A 45 21.620 -17.925 5.034 1.00 12.01 H new ATOM 0 HE1 HIS A 45 20.108 -21.857 5.536 1.00 22.20 H new ATOM 0 HE2 HIS A 45 21.961 -20.238 6.188 1.00 43.12 H new ATOM 670 N GLY A 46 15.881 -17.069 4.421 1.00 23.50 N ATOM 671 CA GLY A 46 14.649 -17.676 4.890 1.00 63.42 C ATOM 672 C GLY A 46 13.683 -16.659 5.463 1.00 41.31 C ATOM 673 O GLY A 46 12.503 -16.952 5.659 1.00 61.24 O ATOM 0 H GLY A 46 15.763 -16.177 3.940 1.00 23.50 H new ATOM 0 HA2 GLY A 46 14.170 -18.203 4.065 1.00 63.42 H new ATOM 0 HA3 GLY A 46 14.881 -18.421 5.651 1.00 63.42 H new ATOM 677 N THR A 47 14.184 -15.457 5.735 1.00 35.50 N ATOM 678 CA THR A 47 13.358 -14.394 6.292 1.00 54.41 C ATOM 679 C THR A 47 12.700 -13.573 5.188 1.00 33.42 C ATOM 680 O THR A 47 13.381 -12.929 4.391 1.00 73.43 O ATOM 681 CB THR A 47 14.183 -13.454 7.191 1.00 32.35 C ATOM 682 OG1 THR A 47 14.706 -14.181 8.309 1.00 12.32 O ATOM 683 CG2 THR A 47 13.332 -12.294 7.687 1.00 23.51 C ATOM 0 H THR A 47 15.158 -15.197 5.578 1.00 35.50 H new ATOM 0 HA THR A 47 12.586 -14.876 6.893 1.00 54.41 H new ATOM 0 HB THR A 47 15.007 -13.053 6.601 1.00 32.35 H new ATOM 0 HG1 THR A 47 15.021 -13.551 8.991 1.00 12.32 H new ATOM 0 HG21 THR A 47 13.936 -11.644 8.320 1.00 23.51 H new ATOM 0 HG22 THR A 47 12.959 -11.726 6.835 1.00 23.51 H new ATOM 0 HG23 THR A 47 12.490 -12.680 8.262 1.00 23.51 H new ATOM 691 N ALA A 48 11.372 -13.601 5.148 1.00 14.14 N ATOM 692 CA ALA A 48 10.622 -12.857 4.144 1.00 72.33 C ATOM 693 C ALA A 48 10.531 -11.380 4.509 1.00 53.40 C ATOM 694 O ALA A 48 10.505 -11.021 5.686 1.00 30.25 O ATOM 695 CB ALA A 48 9.230 -13.449 3.979 1.00 72.01 C ATOM 0 H ALA A 48 10.793 -14.131 5.800 1.00 14.14 H new ATOM 0 HA ALA A 48 11.154 -12.937 3.196 1.00 72.33 H new ATOM 0 HB1 ALA A 48 8.681 -12.883 3.226 1.00 72.01 H new ATOM 0 HB2 ALA A 48 9.312 -14.489 3.663 1.00 72.01 H new ATOM 0 HB3 ALA A 48 8.698 -13.399 4.929 1.00 72.01 H new ATOM 701 N VAL A 49 10.483 -10.525 3.492 1.00 71.12 N ATOM 702 CA VAL A 49 10.394 -9.086 3.706 1.00 3.31 C ATOM 703 C VAL A 49 9.304 -8.467 2.839 1.00 35.11 C ATOM 704 O VAL A 49 9.152 -8.820 1.670 1.00 3.20 O ATOM 705 CB VAL A 49 11.734 -8.389 3.401 1.00 31.31 C ATOM 706 CG1 VAL A 49 11.680 -6.925 3.811 1.00 63.42 C ATOM 707 CG2 VAL A 49 12.878 -9.106 4.102 1.00 61.12 C ATOM 0 H VAL A 49 10.504 -10.805 2.511 1.00 71.12 H new ATOM 0 HA VAL A 49 10.146 -8.938 4.757 1.00 3.31 H new ATOM 0 HB VAL A 49 11.911 -8.434 2.326 1.00 31.31 H new ATOM 0 HG11 VAL A 49 12.635 -6.449 3.588 1.00 63.42 H new ATOM 0 HG12 VAL A 49 10.886 -6.422 3.259 1.00 63.42 H new ATOM 0 HG13 VAL A 49 11.480 -6.854 4.880 1.00 63.42 H new ATOM 0 HG21 VAL A 49 13.817 -8.601 3.876 1.00 61.12 H new ATOM 0 HG22 VAL A 49 12.710 -9.094 5.179 1.00 61.12 H new ATOM 0 HG23 VAL A 49 12.928 -10.138 3.754 1.00 61.12 H new ATOM 717 N GLU A 50 8.546 -7.542 3.421 1.00 62.23 N ATOM 718 CA GLU A 50 7.468 -6.875 2.700 1.00 5.51 C ATOM 719 C GLU A 50 8.019 -5.781 1.790 1.00 52.44 C ATOM 720 O GLU A 50 8.853 -4.974 2.203 1.00 12.12 O ATOM 721 CB GLU A 50 6.462 -6.275 3.684 1.00 34.53 C ATOM 722 CG GLU A 50 5.430 -5.374 3.027 1.00 44.13 C ATOM 723 CD GLU A 50 4.273 -5.041 3.949 1.00 64.42 C ATOM 724 OE1 GLU A 50 4.517 -4.833 5.156 1.00 73.14 O ATOM 725 OE2 GLU A 50 3.124 -4.990 3.463 1.00 41.54 O ATOM 0 H GLU A 50 8.659 -7.238 4.388 1.00 62.23 H new ATOM 0 HA GLU A 50 6.963 -7.618 2.083 1.00 5.51 H new ATOM 0 HB2 GLU A 50 5.948 -7.084 4.203 1.00 34.53 H new ATOM 0 HB3 GLU A 50 7.002 -5.704 4.439 1.00 34.53 H new ATOM 0 HG2 GLU A 50 5.912 -4.450 2.707 1.00 44.13 H new ATOM 0 HG3 GLU A 50 5.046 -5.861 2.130 1.00 44.13 H new ATOM 732 N LEU A 51 7.547 -5.760 0.548 1.00 50.20 N ATOM 733 CA LEU A 51 7.991 -4.766 -0.423 1.00 3.32 C ATOM 734 C LEU A 51 6.889 -3.750 -0.705 1.00 42.31 C ATOM 735 O LEU A 51 6.036 -3.947 -1.571 1.00 2.33 O ATOM 736 CB LEU A 51 8.416 -5.449 -1.724 1.00 2.02 C ATOM 737 CG LEU A 51 9.337 -6.661 -1.576 1.00 10.21 C ATOM 738 CD1 LEU A 51 9.580 -7.315 -2.927 1.00 51.33 C ATOM 739 CD2 LEU A 51 10.655 -6.254 -0.934 1.00 1.24 C ATOM 0 H LEU A 51 6.857 -6.420 0.190 1.00 50.20 H new ATOM 0 HA LEU A 51 8.846 -4.239 -0.001 1.00 3.32 H new ATOM 0 HB2 LEU A 51 7.518 -5.763 -2.256 1.00 2.02 H new ATOM 0 HB3 LEU A 51 8.917 -4.712 -2.351 1.00 2.02 H new ATOM 0 HG LEU A 51 8.848 -7.387 -0.926 1.00 10.21 H new ATOM 0 HD11 LEU A 51 10.237 -8.175 -2.802 1.00 51.33 H new ATOM 0 HD12 LEU A 51 8.630 -7.643 -3.349 1.00 51.33 H new ATOM 0 HD13 LEU A 51 10.047 -6.596 -3.600 1.00 51.33 H new ATOM 0 HD21 LEU A 51 11.298 -7.129 -0.837 1.00 1.24 H new ATOM 0 HD22 LEU A 51 11.149 -5.509 -1.558 1.00 1.24 H new ATOM 0 HD23 LEU A 51 10.464 -5.832 0.053 1.00 1.24 H new ATOM 751 N PRO A 52 6.907 -2.635 0.040 1.00 13.25 N ATOM 752 CA PRO A 52 5.917 -1.564 -0.113 1.00 63.12 C ATOM 753 C PRO A 52 6.083 -0.806 -1.426 1.00 35.20 C ATOM 754 O PRO A 52 7.188 -0.702 -1.959 1.00 14.45 O ATOM 755 CB PRO A 52 6.204 -0.643 1.076 1.00 74.34 C ATOM 756 CG PRO A 52 7.636 -0.886 1.407 1.00 73.24 C ATOM 757 CD PRO A 52 7.894 -2.333 1.091 1.00 61.45 C ATOM 0 HA PRO A 52 4.898 -1.950 -0.134 1.00 63.12 H new ATOM 0 HB2 PRO A 52 6.029 0.402 0.819 1.00 74.34 H new ATOM 0 HB3 PRO A 52 5.557 -0.876 1.922 1.00 74.34 H new ATOM 0 HG2 PRO A 52 8.287 -0.237 0.822 1.00 73.24 H new ATOM 0 HG3 PRO A 52 7.835 -0.674 2.458 1.00 73.24 H new ATOM 0 HD2 PRO A 52 8.914 -2.492 0.742 1.00 61.45 H new ATOM 0 HD3 PRO A 52 7.755 -2.967 1.967 1.00 61.45 H new ATOM 765 N ASP A 53 4.978 -0.279 -1.942 1.00 71.03 N ATOM 766 CA ASP A 53 5.001 0.471 -3.193 1.00 11.14 C ATOM 767 C ASP A 53 5.490 -0.404 -4.342 1.00 45.24 C ATOM 768 O ASP A 53 6.348 0.004 -5.125 1.00 43.44 O ATOM 769 CB ASP A 53 5.896 1.704 -3.056 1.00 60.33 C ATOM 770 CG ASP A 53 5.358 2.897 -3.821 1.00 43.21 C ATOM 771 OD1 ASP A 53 4.425 3.554 -3.315 1.00 74.22 O ATOM 772 OD2 ASP A 53 5.871 3.174 -4.926 1.00 53.11 O ATOM 0 H ASP A 53 4.056 -0.357 -1.514 1.00 71.03 H new ATOM 0 HA ASP A 53 3.984 0.793 -3.414 1.00 11.14 H new ATOM 0 HB2 ASP A 53 5.992 1.965 -2.002 1.00 60.33 H new ATOM 0 HB3 ASP A 53 6.896 1.465 -3.417 1.00 60.33 H new ATOM 777 N VAL A 54 4.940 -1.610 -4.437 1.00 63.22 N ATOM 778 CA VAL A 54 5.321 -2.543 -5.491 1.00 33.31 C ATOM 779 C VAL A 54 4.104 -2.994 -6.292 1.00 2.33 C ATOM 780 O VAL A 54 3.016 -3.162 -5.743 1.00 32.44 O ATOM 781 CB VAL A 54 6.029 -3.783 -4.914 1.00 24.12 C ATOM 782 CG1 VAL A 54 6.303 -4.801 -6.010 1.00 75.15 C ATOM 783 CG2 VAL A 54 7.319 -3.382 -4.214 1.00 42.43 C ATOM 0 H VAL A 54 4.229 -1.964 -3.797 1.00 63.22 H new ATOM 0 HA VAL A 54 6.010 -2.013 -6.149 1.00 33.31 H new ATOM 0 HB VAL A 54 5.371 -4.245 -4.178 1.00 24.12 H new ATOM 0 HG11 VAL A 54 6.804 -5.670 -5.583 1.00 75.15 H new ATOM 0 HG12 VAL A 54 5.361 -5.111 -6.462 1.00 75.15 H new ATOM 0 HG13 VAL A 54 6.941 -4.353 -6.772 1.00 75.15 H new ATOM 0 HG21 VAL A 54 7.806 -4.270 -3.812 1.00 42.43 H new ATOM 0 HG22 VAL A 54 7.984 -2.895 -4.927 1.00 42.43 H new ATOM 0 HG23 VAL A 54 7.092 -2.693 -3.400 1.00 42.43 H new