USER MOD reduce.3.24.130724 H: found=0, std=0, add=400, rem=0, adj=11 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 Set 1.1: A 1 MET CE :methyl -153:sc= -0.204 (180deg=-1.88) USER MOD Set 1.2: A 18 TYR OH : rot 159:sc= 0.166 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 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 CYS SG : rot 180:sc= -0.143 USER MOD Single : A 19 TYR OH : rot -52:sc= 1.04 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.00262 USER MOD Single : A 33 ASN :FLIP amide:sc=-0.00922 F(o=-1.1,f=-0.0092) USER MOD Single : A 45 HIS :FLIP no HE2:sc= 0.0172 F(o=-0.92,f=0.017) USER MOD Single : A 47 THR OG1 : rot -150:sc= -0.791 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.122 0.715 -8.111 1.00 40.51 N ATOM 2 CA MET A 1 7.538 1.062 -8.099 1.00 45.24 C ATOM 3 C MET A 1 8.374 -0.084 -7.539 1.00 63.34 C ATOM 4 O MET A 1 8.614 -0.161 -6.334 1.00 54.01 O ATOM 5 CB MET A 1 7.769 2.328 -7.272 1.00 13.21 C ATOM 6 CG MET A 1 9.213 2.801 -7.273 1.00 64.15 C ATOM 7 SD MET A 1 9.786 3.278 -8.915 1.00 65.32 S ATOM 8 CE MET A 1 10.578 4.844 -8.556 1.00 21.30 C ATOM 0 H1 MET A 1 5.573 1.510 -8.496 1.00 40.51 H new ATOM 0 H2 MET A 1 5.976 -0.126 -8.704 1.00 40.51 H new ATOM 0 H3 MET A 1 5.806 0.514 -7.141 1.00 40.51 H new ATOM 0 HA MET A 1 7.849 1.247 -9.127 1.00 45.24 H new ATOM 0 HB2 MET A 1 7.134 3.125 -7.659 1.00 13.21 H new ATOM 0 HB3 MET A 1 7.457 2.142 -6.244 1.00 13.21 H new ATOM 0 HG2 MET A 1 9.314 3.650 -6.596 1.00 64.15 H new ATOM 0 HG3 MET A 1 9.852 2.007 -6.886 1.00 64.15 H new ATOM 0 HE1 MET A 1 10.554 5.476 -9.444 1.00 21.30 H new ATOM 0 HE2 MET A 1 10.050 5.341 -7.742 1.00 21.30 H new ATOM 0 HE3 MET A 1 11.613 4.669 -8.263 1.00 21.30 H new ATOM 18 N LYS A 2 8.816 -0.974 -8.422 1.00 32.55 N ATOM 19 CA LYS A 2 9.626 -2.117 -8.016 1.00 71.12 C ATOM 20 C LYS A 2 10.907 -2.195 -8.840 1.00 63.10 C ATOM 21 O LYS A 2 10.944 -1.766 -9.994 1.00 34.02 O ATOM 22 CB LYS A 2 8.828 -3.414 -8.170 1.00 63.11 C ATOM 23 CG LYS A 2 8.180 -3.571 -9.535 1.00 23.43 C ATOM 24 CD LYS A 2 6.675 -3.747 -9.420 1.00 63.15 C ATOM 25 CE LYS A 2 6.274 -5.210 -9.539 1.00 4.43 C ATOM 26 NZ LYS A 2 4.858 -5.363 -9.973 1.00 64.12 N ATOM 0 H LYS A 2 8.627 -0.926 -9.423 1.00 32.55 H new ATOM 0 HA LYS A 2 9.896 -1.986 -6.968 1.00 71.12 H new ATOM 0 HB2 LYS A 2 9.490 -4.261 -7.992 1.00 63.11 H new ATOM 0 HB3 LYS A 2 8.054 -3.448 -7.403 1.00 63.11 H new ATOM 0 HG2 LYS A 2 8.399 -2.695 -10.146 1.00 23.43 H new ATOM 0 HG3 LYS A 2 8.610 -4.432 -10.046 1.00 23.43 H new ATOM 0 HD2 LYS A 2 6.333 -3.352 -8.463 1.00 63.15 H new ATOM 0 HD3 LYS A 2 6.179 -3.168 -10.199 1.00 63.15 H new ATOM 0 HE2 LYS A 2 6.929 -5.709 -10.253 1.00 4.43 H new ATOM 0 HE3 LYS A 2 6.415 -5.705 -8.578 1.00 4.43 H new ATOM 0 HZ1 LYS A 2 4.623 -6.374 -10.042 1.00 64.12 H new ATOM 0 HZ2 LYS A 2 4.231 -4.909 -9.279 1.00 64.12 H new ATOM 0 HZ3 LYS A 2 4.729 -4.913 -10.902 1.00 64.12 H new ATOM 40 N THR A 3 11.958 -2.747 -8.241 1.00 20.10 N ATOM 41 CA THR A 3 13.241 -2.882 -8.919 1.00 50.32 C ATOM 42 C THR A 3 13.950 -4.166 -8.504 1.00 50.15 C ATOM 43 O THR A 3 13.744 -4.672 -7.401 1.00 72.34 O ATOM 44 CB THR A 3 14.161 -1.682 -8.624 1.00 22.33 C ATOM 45 OG1 THR A 3 15.307 -1.721 -9.482 1.00 11.21 O ATOM 46 CG2 THR A 3 14.610 -1.689 -7.170 1.00 74.51 C ATOM 0 H THR A 3 11.945 -3.108 -7.287 1.00 20.10 H new ATOM 0 HA THR A 3 13.032 -2.916 -9.988 1.00 50.32 H new ATOM 0 HB THR A 3 13.599 -0.767 -8.810 1.00 22.33 H new ATOM 0 HG1 THR A 3 15.886 -0.954 -9.290 1.00 11.21 H new ATOM 0 HG21 THR A 3 15.259 -0.833 -6.985 1.00 74.51 H new ATOM 0 HG22 THR A 3 13.737 -1.630 -6.519 1.00 74.51 H new ATOM 0 HG23 THR A 3 15.156 -2.609 -6.962 1.00 74.51 H new ATOM 54 N PHE A 4 14.787 -4.688 -9.395 1.00 32.31 N ATOM 55 CA PHE A 4 15.527 -5.915 -9.121 1.00 12.41 C ATOM 56 C PHE A 4 16.692 -5.646 -8.173 1.00 61.51 C ATOM 57 O PHE A 4 17.487 -4.733 -8.393 1.00 23.42 O ATOM 58 CB PHE A 4 16.045 -6.525 -10.425 1.00 3.41 C ATOM 59 CG PHE A 4 15.014 -6.571 -11.516 1.00 65.33 C ATOM 60 CD1 PHE A 4 13.940 -7.442 -11.436 1.00 14.14 C ATOM 61 CD2 PHE A 4 15.121 -5.745 -12.623 1.00 53.14 C ATOM 62 CE1 PHE A 4 12.989 -7.487 -12.438 1.00 61.10 C ATOM 63 CE2 PHE A 4 14.173 -5.785 -13.629 1.00 21.34 C ATOM 64 CZ PHE A 4 13.107 -6.658 -13.536 1.00 73.35 C ATOM 0 H PHE A 4 14.970 -4.281 -10.312 1.00 32.31 H new ATOM 0 HA PHE A 4 14.848 -6.621 -8.643 1.00 12.41 H new ATOM 0 HB2 PHE A 4 16.903 -5.948 -10.771 1.00 3.41 H new ATOM 0 HB3 PHE A 4 16.399 -7.537 -10.228 1.00 3.41 H new ATOM 0 HD1 PHE A 4 13.844 -8.094 -10.580 1.00 14.14 H new ATOM 0 HD2 PHE A 4 15.954 -5.062 -12.701 1.00 53.14 H new ATOM 0 HE1 PHE A 4 12.155 -8.169 -12.362 1.00 61.10 H new ATOM 0 HE2 PHE A 4 14.266 -5.135 -14.486 1.00 21.34 H new ATOM 0 HZ PHE A 4 12.366 -6.692 -14.321 1.00 73.35 H new ATOM 74 N ALA A 5 16.785 -6.449 -7.118 1.00 25.11 N ATOM 75 CA ALA A 5 17.853 -6.300 -6.137 1.00 23.20 C ATOM 76 C ALA A 5 19.159 -6.895 -6.653 1.00 4.32 C ATOM 77 O ALA A 5 19.154 -7.848 -7.433 1.00 42.55 O ATOM 78 CB ALA A 5 17.457 -6.954 -4.822 1.00 33.23 C ATOM 0 H ALA A 5 16.134 -7.209 -6.921 1.00 25.11 H new ATOM 0 HA ALA A 5 18.011 -5.235 -5.968 1.00 23.20 H new ATOM 0 HB1 ALA A 5 18.264 -6.835 -4.099 1.00 33.23 H new ATOM 0 HB2 ALA A 5 16.553 -6.481 -4.438 1.00 33.23 H new ATOM 0 HB3 ALA A 5 17.270 -8.015 -4.985 1.00 33.23 H new ATOM 84 N LEU A 6 20.277 -6.327 -6.213 1.00 12.20 N ATOM 85 CA LEU A 6 21.592 -6.800 -6.631 1.00 73.50 C ATOM 86 C LEU A 6 22.621 -6.597 -5.524 1.00 1.10 C ATOM 87 O LEU A 6 22.288 -6.141 -4.431 1.00 31.04 O ATOM 88 CB LEU A 6 22.039 -6.071 -7.899 1.00 72.32 C ATOM 89 CG LEU A 6 21.048 -6.081 -9.064 1.00 21.51 C ATOM 90 CD1 LEU A 6 21.452 -5.062 -10.118 1.00 25.05 C ATOM 91 CD2 LEU A 6 20.956 -7.473 -9.673 1.00 55.22 C ATOM 0 H LEU A 6 20.299 -5.538 -5.567 1.00 12.20 H new ATOM 0 HA LEU A 6 21.517 -7.867 -6.841 1.00 73.50 H new ATOM 0 HB2 LEU A 6 22.255 -5.034 -7.641 1.00 72.32 H new ATOM 0 HB3 LEU A 6 22.974 -6.516 -8.240 1.00 72.32 H new ATOM 0 HG LEU A 6 20.065 -5.807 -8.682 1.00 21.51 H new ATOM 0 HD11 LEU A 6 20.735 -5.084 -10.939 1.00 25.05 H new ATOM 0 HD12 LEU A 6 21.466 -4.066 -9.675 1.00 25.05 H new ATOM 0 HD13 LEU A 6 22.445 -5.305 -10.497 1.00 25.05 H new ATOM 0 HD21 LEU A 6 20.247 -7.462 -10.500 1.00 55.22 H new ATOM 0 HD22 LEU A 6 21.937 -7.775 -10.040 1.00 55.22 H new ATOM 0 HD23 LEU A 6 20.619 -8.180 -8.915 1.00 55.22 H new ATOM 103 N GLN A 7 23.872 -6.936 -5.817 1.00 24.22 N ATOM 104 CA GLN A 7 24.950 -6.789 -4.846 1.00 44.11 C ATOM 105 C GLN A 7 24.980 -5.375 -4.276 1.00 12.23 C ATOM 106 O GLN A 7 25.052 -4.397 -5.018 1.00 44.51 O ATOM 107 CB GLN A 7 26.297 -7.118 -5.493 1.00 74.55 C ATOM 108 CG GLN A 7 26.685 -6.163 -6.610 1.00 50.20 C ATOM 109 CD GLN A 7 27.845 -6.676 -7.440 1.00 51.04 C ATOM 110 OE1 GLN A 7 27.662 -7.128 -8.571 1.00 32.52 O ATOM 111 NE2 GLN A 7 29.048 -6.608 -6.883 1.00 21.12 N ATOM 0 H GLN A 7 24.164 -7.314 -6.718 1.00 24.22 H new ATOM 0 HA GLN A 7 24.766 -7.487 -4.030 1.00 44.11 H new ATOM 0 HB2 GLN A 7 27.072 -7.102 -4.727 1.00 74.55 H new ATOM 0 HB3 GLN A 7 26.262 -8.133 -5.890 1.00 74.55 H new ATOM 0 HG2 GLN A 7 25.824 -5.999 -7.258 1.00 50.20 H new ATOM 0 HG3 GLN A 7 26.950 -5.197 -6.181 1.00 50.20 H new ATOM 0 HE21 GLN A 7 29.154 -6.226 -5.943 1.00 21.12 H new ATOM 0 HE22 GLN A 7 29.866 -6.938 -7.395 1.00 21.12 H new ATOM 120 N GLY A 8 24.922 -5.275 -2.951 1.00 4.20 N ATOM 121 CA GLY A 8 24.943 -3.976 -2.303 1.00 61.24 C ATOM 122 C GLY A 8 23.755 -3.118 -2.688 1.00 15.31 C ATOM 123 O GLY A 8 23.813 -1.891 -2.603 1.00 41.24 O ATOM 0 H GLY A 8 24.861 -6.070 -2.315 1.00 4.20 H new ATOM 0 HA2 GLY A 8 24.953 -4.113 -1.222 1.00 61.24 H new ATOM 0 HA3 GLY A 8 25.864 -3.456 -2.567 1.00 61.24 H new ATOM 127 N ASP A 9 22.674 -3.763 -3.113 1.00 12.32 N ATOM 128 CA ASP A 9 21.466 -3.050 -3.513 1.00 31.14 C ATOM 129 C ASP A 9 20.250 -3.572 -2.753 1.00 23.20 C ATOM 130 O ASP A 9 19.118 -3.473 -3.227 1.00 0.20 O ATOM 131 CB ASP A 9 21.240 -3.190 -5.019 1.00 23.21 C ATOM 132 CG ASP A 9 22.051 -2.191 -5.821 1.00 73.20 C ATOM 133 OD1 ASP A 9 23.263 -2.059 -5.552 1.00 52.21 O ATOM 134 OD2 ASP A 9 21.473 -1.541 -6.717 1.00 53.03 O ATOM 0 H ASP A 9 22.609 -4.778 -3.189 1.00 12.32 H new ATOM 0 HA ASP A 9 21.599 -1.996 -3.270 1.00 31.14 H new ATOM 0 HB2 ASP A 9 21.503 -4.201 -5.331 1.00 23.21 H new ATOM 0 HB3 ASP A 9 20.181 -3.054 -5.239 1.00 23.21 H new ATOM 139 N THR A 10 20.492 -4.130 -1.571 1.00 23.42 N ATOM 140 CA THR A 10 19.419 -4.670 -0.746 1.00 73.34 C ATOM 141 C THR A 10 18.583 -3.554 -0.132 1.00 13.42 C ATOM 142 O THR A 10 18.864 -2.371 -0.332 1.00 71.32 O ATOM 143 CB THR A 10 19.971 -5.563 0.381 1.00 13.10 C ATOM 144 OG1 THR A 10 20.443 -4.751 1.462 1.00 44.03 O ATOM 145 CG2 THR A 10 21.101 -6.444 -0.130 1.00 51.42 C ATOM 0 H THR A 10 21.423 -4.220 -1.163 1.00 23.42 H new ATOM 0 HA THR A 10 18.790 -5.273 -1.401 1.00 73.34 H new ATOM 0 HB THR A 10 19.164 -6.205 0.735 1.00 13.10 H new ATOM 0 HG1 THR A 10 20.791 -5.326 2.175 1.00 44.03 H new ATOM 0 HG21 THR A 10 21.474 -7.065 0.684 1.00 51.42 H new ATOM 0 HG22 THR A 10 20.731 -7.082 -0.933 1.00 51.42 H new ATOM 0 HG23 THR A 10 21.909 -5.817 -0.508 1.00 51.42 H new ATOM 153 N LEU A 11 17.554 -3.935 0.618 1.00 44.12 N ATOM 154 CA LEU A 11 16.677 -2.965 1.263 1.00 12.34 C ATOM 155 C LEU A 11 17.487 -1.918 2.022 1.00 33.32 C ATOM 156 O LEU A 11 17.148 -0.735 2.019 1.00 10.31 O ATOM 157 CB LEU A 11 15.716 -3.674 2.219 1.00 14.30 C ATOM 158 CG LEU A 11 14.852 -4.777 1.606 1.00 23.24 C ATOM 159 CD1 LEU A 11 13.886 -5.334 2.640 1.00 74.32 C ATOM 160 CD2 LEU A 11 14.096 -4.252 0.395 1.00 63.13 C ATOM 0 H LEU A 11 17.307 -4.909 0.794 1.00 44.12 H new ATOM 0 HA LEU A 11 16.102 -2.460 0.487 1.00 12.34 H new ATOM 0 HB2 LEU A 11 16.298 -4.106 3.033 1.00 14.30 H new ATOM 0 HB3 LEU A 11 15.057 -2.927 2.660 1.00 14.30 H new ATOM 0 HG LEU A 11 15.506 -5.585 1.278 1.00 23.24 H new ATOM 0 HD11 LEU A 11 13.279 -6.118 2.186 1.00 74.32 H new ATOM 0 HD12 LEU A 11 14.448 -5.749 3.477 1.00 74.32 H new ATOM 0 HD13 LEU A 11 13.237 -4.535 2.999 1.00 74.32 H new ATOM 0 HD21 LEU A 11 13.487 -5.051 -0.028 1.00 63.13 H new ATOM 0 HD22 LEU A 11 13.452 -3.426 0.698 1.00 63.13 H new ATOM 0 HD23 LEU A 11 14.807 -3.902 -0.354 1.00 63.13 H new ATOM 172 N ASP A 12 18.558 -2.362 2.669 1.00 24.43 N ATOM 173 CA ASP A 12 19.419 -1.464 3.430 1.00 42.21 C ATOM 174 C ASP A 12 19.873 -0.288 2.570 1.00 73.31 C ATOM 175 O ASP A 12 19.938 0.848 3.039 1.00 64.52 O ATOM 176 CB ASP A 12 20.636 -2.220 3.965 1.00 63.15 C ATOM 177 CG ASP A 12 21.756 -1.290 4.388 1.00 12.33 C ATOM 178 OD1 ASP A 12 22.613 -0.968 3.539 1.00 4.53 O ATOM 179 OD2 ASP A 12 21.774 -0.883 5.569 1.00 72.13 O ATOM 0 H ASP A 12 18.851 -3.339 2.682 1.00 24.43 H new ATOM 0 HA ASP A 12 18.844 -1.076 4.271 1.00 42.21 H new ATOM 0 HB2 ASP A 12 20.335 -2.832 4.816 1.00 63.15 H new ATOM 0 HB3 ASP A 12 21.004 -2.901 3.197 1.00 63.15 H new ATOM 184 N ALA A 13 20.185 -0.570 1.309 1.00 4.12 N ATOM 185 CA ALA A 13 20.632 0.464 0.384 1.00 72.13 C ATOM 186 C ALA A 13 19.448 1.127 -0.311 1.00 55.31 C ATOM 187 O ALA A 13 19.324 2.352 -0.314 1.00 5.51 O ATOM 188 CB ALA A 13 21.587 -0.125 -0.644 1.00 2.41 C ATOM 0 H ALA A 13 20.136 -1.505 0.905 1.00 4.12 H new ATOM 0 HA ALA A 13 21.158 1.227 0.957 1.00 72.13 H new ATOM 0 HB1 ALA A 13 21.913 0.658 -1.328 1.00 2.41 H new ATOM 0 HB2 ALA A 13 22.454 -0.547 -0.136 1.00 2.41 H new ATOM 0 HB3 ALA A 13 21.079 -0.909 -1.205 1.00 2.41 H new ATOM 194 N ILE A 14 18.580 0.311 -0.899 1.00 54.13 N ATOM 195 CA ILE A 14 17.405 0.820 -1.597 1.00 23.11 C ATOM 196 C ILE A 14 16.631 1.803 -0.725 1.00 70.33 C ATOM 197 O ILE A 14 16.323 2.917 -1.151 1.00 24.20 O ATOM 198 CB ILE A 14 16.464 -0.323 -2.023 1.00 5.33 C ATOM 199 CG1 ILE A 14 17.191 -1.287 -2.963 1.00 33.12 C ATOM 200 CG2 ILE A 14 15.218 0.239 -2.690 1.00 60.55 C ATOM 201 CD1 ILE A 14 16.395 -2.534 -3.282 1.00 4.40 C ATOM 0 H ILE A 14 18.668 -0.705 -0.906 1.00 54.13 H new ATOM 0 HA ILE A 14 17.765 1.334 -2.488 1.00 23.11 H new ATOM 0 HB ILE A 14 16.159 -0.874 -1.134 1.00 5.33 H new ATOM 0 HG12 ILE A 14 17.426 -0.768 -3.892 1.00 33.12 H new ATOM 0 HG13 ILE A 14 18.140 -1.577 -2.511 1.00 33.12 H new ATOM 0 HG21 ILE A 14 14.563 -0.580 -2.986 1.00 60.55 H new ATOM 0 HG22 ILE A 14 14.693 0.890 -1.991 1.00 60.55 H new ATOM 0 HG23 ILE A 14 15.504 0.811 -3.573 1.00 60.55 H new ATOM 0 HD11 ILE A 14 16.971 -3.172 -3.953 1.00 4.40 H new ATOM 0 HD12 ILE A 14 16.182 -3.076 -2.360 1.00 4.40 H new ATOM 0 HD13 ILE A 14 15.458 -2.254 -3.763 1.00 4.40 H new ATOM 213 N CYS A 15 16.321 1.384 0.496 1.00 34.24 N ATOM 214 CA CYS A 15 15.583 2.228 1.430 1.00 72.23 C ATOM 215 C CYS A 15 16.282 3.570 1.619 1.00 24.20 C ATOM 216 O CYS A 15 15.644 4.578 1.921 1.00 35.10 O ATOM 217 CB CYS A 15 15.433 1.522 2.778 1.00 14.43 C ATOM 218 SG CYS A 15 14.277 0.132 2.759 1.00 21.25 S ATOM 0 H CYS A 15 16.569 0.465 0.863 1.00 34.24 H new ATOM 0 HA CYS A 15 14.593 2.411 1.012 1.00 72.23 H new ATOM 0 HB2 CYS A 15 16.411 1.163 3.099 1.00 14.43 H new ATOM 0 HB3 CYS A 15 15.100 2.247 3.521 1.00 14.43 H new ATOM 0 HG CYS A 15 14.220 -0.401 3.943 1.00 21.25 H new ATOM 224 N VAL A 16 17.600 3.575 1.441 1.00 33.20 N ATOM 225 CA VAL A 16 18.387 4.793 1.593 1.00 70.43 C ATOM 226 C VAL A 16 18.433 5.583 0.290 1.00 64.22 C ATOM 227 O VAL A 16 18.529 6.810 0.299 1.00 13.25 O ATOM 228 CB VAL A 16 19.827 4.478 2.041 1.00 15.12 C ATOM 229 CG1 VAL A 16 20.659 5.750 2.094 1.00 24.21 C ATOM 230 CG2 VAL A 16 19.822 3.777 3.391 1.00 4.23 C ATOM 0 H VAL A 16 18.145 2.749 1.192 1.00 33.20 H new ATOM 0 HA VAL A 16 17.898 5.393 2.361 1.00 70.43 H new ATOM 0 HB VAL A 16 20.279 3.807 1.311 1.00 15.12 H new ATOM 0 HG11 VAL A 16 21.673 5.508 2.412 1.00 24.21 H new ATOM 0 HG12 VAL A 16 20.688 6.207 1.105 1.00 24.21 H new ATOM 0 HG13 VAL A 16 20.213 6.447 2.803 1.00 24.21 H new ATOM 0 HG21 VAL A 16 20.847 3.562 3.693 1.00 4.23 H new ATOM 0 HG22 VAL A 16 19.353 4.422 4.134 1.00 4.23 H new ATOM 0 HG23 VAL A 16 19.263 2.845 3.315 1.00 4.23 H new ATOM 240 N ARG A 17 18.365 4.871 -0.830 1.00 61.13 N ATOM 241 CA ARG A 17 18.400 5.506 -2.142 1.00 60.33 C ATOM 242 C ARG A 17 17.005 5.954 -2.567 1.00 14.03 C ATOM 243 O ARG A 17 16.847 6.690 -3.541 1.00 65.24 O ATOM 244 CB ARG A 17 18.977 4.544 -3.183 1.00 34.33 C ATOM 245 CG ARG A 17 17.923 3.704 -3.886 1.00 53.22 C ATOM 246 CD ARG A 17 18.555 2.693 -4.829 1.00 73.53 C ATOM 247 NE ARG A 17 19.154 3.333 -5.997 1.00 23.21 N ATOM 248 CZ ARG A 17 19.454 2.685 -7.117 1.00 53.34 C ATOM 249 NH1 ARG A 17 19.210 1.386 -7.222 1.00 0.24 N ATOM 250 NH2 ARG A 17 19.998 3.338 -8.137 1.00 34.50 N ATOM 0 H ARG A 17 18.285 3.854 -0.855 1.00 61.13 H new ATOM 0 HA ARG A 17 19.041 6.385 -2.075 1.00 60.33 H new ATOM 0 HB2 ARG A 17 19.529 5.117 -3.928 1.00 34.33 H new ATOM 0 HB3 ARG A 17 19.692 3.881 -2.696 1.00 34.33 H new ATOM 0 HG2 ARG A 17 17.318 3.183 -3.145 1.00 53.22 H new ATOM 0 HG3 ARG A 17 17.251 4.355 -4.446 1.00 53.22 H new ATOM 0 HD2 ARG A 17 19.318 2.127 -4.295 1.00 73.53 H new ATOM 0 HD3 ARG A 17 17.798 1.979 -5.155 1.00 73.53 H new ATOM 0 HE ARG A 17 19.353 4.332 -5.950 1.00 23.21 H new ATOM 0 HH11 ARG A 17 18.791 0.881 -6.441 1.00 0.24 H new ATOM 0 HH12 ARG A 17 19.442 0.892 -8.084 1.00 0.24 H new ATOM 0 HH21 ARG A 17 20.186 4.338 -8.061 1.00 34.50 H new ATOM 0 HH22 ARG A 17 20.228 2.840 -8.997 1.00 34.50 H new ATOM 264 N TYR A 18 15.995 5.505 -1.829 1.00 40.42 N ATOM 265 CA TYR A 18 14.613 5.858 -2.131 1.00 34.34 C ATOM 266 C TYR A 18 14.060 6.832 -1.094 1.00 63.33 C ATOM 267 O TYR A 18 13.688 7.959 -1.421 1.00 70.24 O ATOM 268 CB TYR A 18 13.743 4.600 -2.180 1.00 11.35 C ATOM 269 CG TYR A 18 13.516 4.075 -3.579 1.00 51.21 C ATOM 270 CD1 TYR A 18 14.455 3.260 -4.197 1.00 64.44 C ATOM 271 CD2 TYR A 18 12.361 4.394 -4.283 1.00 10.12 C ATOM 272 CE1 TYR A 18 14.252 2.778 -5.476 1.00 43.42 C ATOM 273 CE2 TYR A 18 12.149 3.916 -5.562 1.00 13.24 C ATOM 274 CZ TYR A 18 13.097 3.109 -6.154 1.00 45.21 C ATOM 275 OH TYR A 18 12.891 2.631 -7.428 1.00 32.44 O ATOM 0 H TYR A 18 16.108 4.896 -1.018 1.00 40.42 H new ATOM 0 HA TYR A 18 14.594 6.344 -3.106 1.00 34.34 H new ATOM 0 HB2 TYR A 18 14.212 3.820 -1.580 1.00 11.35 H new ATOM 0 HB3 TYR A 18 12.778 4.818 -1.722 1.00 11.35 H new ATOM 0 HD1 TYR A 18 15.360 2.998 -3.669 1.00 64.44 H new ATOM 0 HD2 TYR A 18 11.616 5.026 -3.823 1.00 10.12 H new ATOM 0 HE1 TYR A 18 14.993 2.146 -5.942 1.00 43.42 H new ATOM 0 HE2 TYR A 18 11.246 4.173 -6.095 1.00 13.24 H new ATOM 0 HH TYR A 18 11.934 2.659 -7.637 1.00 32.44 H new ATOM 285 N TYR A 19 14.011 6.389 0.157 1.00 61.41 N ATOM 286 CA TYR A 19 13.503 7.219 1.242 1.00 20.04 C ATOM 287 C TYR A 19 14.642 7.945 1.952 1.00 30.42 C ATOM 288 O TYR A 19 14.491 9.085 2.388 1.00 14.01 O ATOM 289 CB TYR A 19 12.725 6.365 2.245 1.00 74.14 C ATOM 290 CG TYR A 19 11.904 5.271 1.599 1.00 14.52 C ATOM 291 CD1 TYR A 19 10.626 5.527 1.117 1.00 41.42 C ATOM 292 CD2 TYR A 19 12.406 3.982 1.471 1.00 1.32 C ATOM 293 CE1 TYR A 19 9.872 4.531 0.527 1.00 3.22 C ATOM 294 CE2 TYR A 19 11.660 2.980 0.882 1.00 51.24 C ATOM 295 CZ TYR A 19 10.394 3.259 0.412 1.00 55.42 C ATOM 296 OH TYR A 19 9.646 2.265 -0.176 1.00 64.42 O ATOM 0 H TYR A 19 14.317 5.460 0.445 1.00 61.41 H new ATOM 0 HA TYR A 19 12.833 7.964 0.812 1.00 20.04 H new ATOM 0 HB2 TYR A 19 13.426 5.915 2.948 1.00 74.14 H new ATOM 0 HB3 TYR A 19 12.064 7.010 2.824 1.00 74.14 H new ATOM 0 HD1 TYR A 19 10.215 6.522 1.205 1.00 41.42 H new ATOM 0 HD2 TYR A 19 13.397 3.760 1.838 1.00 1.32 H new ATOM 0 HE1 TYR A 19 8.880 4.747 0.158 1.00 3.22 H new ATOM 0 HE2 TYR A 19 12.066 1.983 0.790 1.00 51.24 H new ATOM 0 HH TYR A 19 8.765 2.222 0.252 1.00 64.42 H new ATOM 306 N GLY A 20 15.784 7.273 2.064 1.00 44.45 N ATOM 307 CA GLY A 20 16.934 7.869 2.720 1.00 35.32 C ATOM 308 C GLY A 20 17.022 7.494 4.186 1.00 22.32 C ATOM 309 O GLY A 20 17.602 8.227 4.987 1.00 32.14 O ATOM 0 H GLY A 20 15.933 6.327 1.713 1.00 44.45 H new ATOM 0 HA2 GLY A 20 17.844 7.551 2.211 1.00 35.32 H new ATOM 0 HA3 GLY A 20 16.880 8.954 2.628 1.00 35.32 H new ATOM 313 N ARG A 21 16.445 6.350 4.539 1.00 71.33 N ATOM 314 CA ARG A 21 16.459 5.880 5.919 1.00 52.40 C ATOM 315 C ARG A 21 16.054 4.411 5.998 1.00 51.32 C ATOM 316 O ARG A 21 15.453 3.870 5.069 1.00 41.32 O ATOM 317 CB ARG A 21 15.517 6.727 6.777 1.00 30.34 C ATOM 318 CG ARG A 21 14.051 6.570 6.409 1.00 33.50 C ATOM 319 CD ARG A 21 13.593 7.668 5.462 1.00 24.10 C ATOM 320 NE ARG A 21 12.194 8.027 5.676 1.00 41.42 N ATOM 321 CZ ARG A 21 11.503 8.811 4.856 1.00 41.15 C ATOM 322 NH1 ARG A 21 12.079 9.314 3.772 1.00 12.24 N ATOM 323 NH2 ARG A 21 10.233 9.093 5.118 1.00 62.51 N ATOM 0 H ARG A 21 15.962 5.731 3.888 1.00 71.33 H new ATOM 0 HA ARG A 21 17.475 5.979 6.300 1.00 52.40 H new ATOM 0 HB2 ARG A 21 15.651 6.456 7.824 1.00 30.34 H new ATOM 0 HB3 ARG A 21 15.797 7.776 6.681 1.00 30.34 H new ATOM 0 HG2 ARG A 21 13.894 5.597 5.943 1.00 33.50 H new ATOM 0 HG3 ARG A 21 13.443 6.592 7.314 1.00 33.50 H new ATOM 0 HD2 ARG A 21 14.219 8.550 5.600 1.00 24.10 H new ATOM 0 HD3 ARG A 21 13.729 7.338 4.432 1.00 24.10 H new ATOM 0 HE ARG A 21 11.721 7.656 6.500 1.00 41.42 H new ATOM 0 HH11 ARG A 21 13.055 9.099 3.567 1.00 12.24 H new ATOM 0 HH12 ARG A 21 11.546 9.916 3.144 1.00 12.24 H new ATOM 0 HH21 ARG A 21 9.786 8.708 5.950 1.00 62.51 H new ATOM 0 HH22 ARG A 21 9.704 9.695 4.487 1.00 62.51 H new ATOM 337 N THR A 22 16.388 3.770 7.113 1.00 33.34 N ATOM 338 CA THR A 22 16.061 2.364 7.313 1.00 30.53 C ATOM 339 C THR A 22 15.133 2.179 8.509 1.00 50.25 C ATOM 340 O THR A 22 14.348 1.233 8.556 1.00 61.24 O ATOM 341 CB THR A 22 17.330 1.517 7.528 1.00 72.14 C ATOM 342 OG1 THR A 22 18.341 2.303 8.168 1.00 50.11 O ATOM 343 CG2 THR A 22 17.856 0.986 6.203 1.00 62.12 C ATOM 0 H THR A 22 16.885 4.202 7.892 1.00 33.34 H new ATOM 0 HA THR A 22 15.555 2.026 6.408 1.00 30.53 H new ATOM 0 HB THR A 22 17.072 0.670 8.164 1.00 72.14 H new ATOM 0 HG1 THR A 22 19.144 1.757 8.303 1.00 50.11 H new ATOM 0 HG21 THR A 22 18.752 0.391 6.379 1.00 62.12 H new ATOM 0 HG22 THR A 22 17.095 0.364 5.732 1.00 62.12 H new ATOM 0 HG23 THR A 22 18.099 1.822 5.547 1.00 62.12 H new ATOM 351 N GLU A 23 15.228 3.090 9.472 1.00 42.20 N ATOM 352 CA GLU A 23 14.396 3.026 10.668 1.00 40.43 C ATOM 353 C GLU A 23 12.945 3.367 10.340 1.00 42.24 C ATOM 354 O GLU A 23 12.626 4.504 9.996 1.00 54.40 O ATOM 355 CB GLU A 23 14.927 3.983 11.737 1.00 12.41 C ATOM 356 CG GLU A 23 14.288 3.786 13.102 1.00 51.25 C ATOM 357 CD GLU A 23 14.983 2.717 13.922 1.00 10.33 C ATOM 358 OE1 GLU A 23 16.216 2.811 14.098 1.00 14.41 O ATOM 359 OE2 GLU A 23 14.293 1.787 14.389 1.00 23.51 O ATOM 0 H GLU A 23 15.872 3.881 9.448 1.00 42.20 H new ATOM 0 HA GLU A 23 14.434 2.007 11.052 1.00 40.43 H new ATOM 0 HB2 GLU A 23 16.005 3.851 11.827 1.00 12.41 H new ATOM 0 HB3 GLU A 23 14.758 5.009 11.411 1.00 12.41 H new ATOM 0 HG2 GLU A 23 14.309 4.729 13.648 1.00 51.25 H new ATOM 0 HG3 GLU A 23 13.240 3.516 12.973 1.00 51.25 H new ATOM 366 N GLY A 24 12.070 2.372 10.448 1.00 64.32 N ATOM 367 CA GLY A 24 10.664 2.585 10.159 1.00 63.01 C ATOM 368 C GLY A 24 10.295 2.182 8.745 1.00 44.11 C ATOM 369 O GLY A 24 9.121 1.982 8.435 1.00 51.42 O ATOM 0 H GLY A 24 12.310 1.422 10.731 1.00 64.32 H new ATOM 0 HA2 GLY A 24 10.061 2.015 10.865 1.00 63.01 H new ATOM 0 HA3 GLY A 24 10.421 3.637 10.309 1.00 63.01 H new ATOM 373 N VAL A 25 11.301 2.064 7.883 1.00 31.25 N ATOM 374 CA VAL A 25 11.076 1.683 6.494 1.00 25.21 C ATOM 375 C VAL A 25 11.339 0.196 6.283 1.00 72.03 C ATOM 376 O VAL A 25 10.595 -0.482 5.574 1.00 33.32 O ATOM 377 CB VAL A 25 11.973 2.492 5.538 1.00 2.04 C ATOM 378 CG1 VAL A 25 11.585 2.229 4.091 1.00 3.42 C ATOM 379 CG2 VAL A 25 11.891 3.977 5.860 1.00 32.41 C ATOM 0 H VAL A 25 12.279 2.227 8.123 1.00 31.25 H new ATOM 0 HA VAL A 25 10.031 1.900 6.271 1.00 25.21 H new ATOM 0 HB VAL A 25 13.005 2.170 5.676 1.00 2.04 H new ATOM 0 HG11 VAL A 25 12.229 2.809 3.430 1.00 3.42 H new ATOM 0 HG12 VAL A 25 11.700 1.168 3.871 1.00 3.42 H new ATOM 0 HG13 VAL A 25 10.547 2.522 3.934 1.00 3.42 H new ATOM 0 HG21 VAL A 25 12.531 4.534 5.175 1.00 32.41 H new ATOM 0 HG22 VAL A 25 10.861 4.317 5.751 1.00 32.41 H new ATOM 0 HG23 VAL A 25 12.223 4.146 6.885 1.00 32.41 H new ATOM 389 N VAL A 26 12.402 -0.306 6.903 1.00 41.22 N ATOM 390 CA VAL A 26 12.763 -1.714 6.784 1.00 14.43 C ATOM 391 C VAL A 26 11.601 -2.614 7.188 1.00 32.32 C ATOM 392 O VAL A 26 11.502 -3.755 6.738 1.00 22.22 O ATOM 393 CB VAL A 26 13.988 -2.054 7.653 1.00 30.21 C ATOM 394 CG1 VAL A 26 15.223 -1.327 7.143 1.00 30.32 C ATOM 395 CG2 VAL A 26 13.720 -1.709 9.110 1.00 31.42 C ATOM 0 H VAL A 26 13.029 0.241 7.493 1.00 41.22 H new ATOM 0 HA VAL A 26 13.009 -1.891 5.737 1.00 14.43 H new ATOM 0 HB VAL A 26 14.173 -3.126 7.585 1.00 30.21 H new ATOM 0 HG11 VAL A 26 16.078 -1.580 7.769 1.00 30.32 H new ATOM 0 HG12 VAL A 26 15.424 -1.629 6.115 1.00 30.32 H new ATOM 0 HG13 VAL A 26 15.052 -0.251 7.178 1.00 30.32 H new ATOM 0 HG21 VAL A 26 14.596 -1.956 9.709 1.00 31.42 H new ATOM 0 HG22 VAL A 26 13.508 -0.643 9.199 1.00 31.42 H new ATOM 0 HG23 VAL A 26 12.863 -2.280 9.467 1.00 31.42 H new ATOM 405 N GLU A 27 10.723 -2.093 8.039 1.00 10.35 N ATOM 406 CA GLU A 27 9.567 -2.851 8.504 1.00 3.12 C ATOM 407 C GLU A 27 8.453 -2.838 7.461 1.00 23.44 C ATOM 408 O GLU A 27 7.689 -3.796 7.340 1.00 33.25 O ATOM 409 CB GLU A 27 9.051 -2.277 9.825 1.00 33.23 C ATOM 410 CG GLU A 27 10.017 -2.454 10.985 1.00 73.03 C ATOM 411 CD GLU A 27 9.690 -1.552 12.159 1.00 31.00 C ATOM 412 OE1 GLU A 27 9.155 -0.448 11.927 1.00 55.30 O ATOM 413 OE2 GLU A 27 9.969 -1.950 13.309 1.00 4.31 O ATOM 0 H GLU A 27 10.790 -1.149 8.420 1.00 10.35 H new ATOM 0 HA GLU A 27 9.881 -3.883 8.663 1.00 3.12 H new ATOM 0 HB2 GLU A 27 8.845 -1.215 9.694 1.00 33.23 H new ATOM 0 HB3 GLU A 27 8.105 -2.757 10.075 1.00 33.23 H new ATOM 0 HG2 GLU A 27 9.998 -3.493 11.314 1.00 73.03 H new ATOM 0 HG3 GLU A 27 11.031 -2.246 10.643 1.00 73.03 H new ATOM 420 N THR A 28 8.367 -1.745 6.709 1.00 32.53 N ATOM 421 CA THR A 28 7.346 -1.606 5.678 1.00 4.01 C ATOM 422 C THR A 28 7.579 -2.590 4.538 1.00 62.25 C ATOM 423 O THR A 28 6.747 -3.458 4.274 1.00 63.52 O ATOM 424 CB THR A 28 7.315 -0.175 5.108 1.00 24.33 C ATOM 425 OG1 THR A 28 7.493 0.776 6.163 1.00 2.35 O ATOM 426 CG2 THR A 28 6.000 0.094 4.392 1.00 24.33 C ATOM 0 H THR A 28 8.992 -0.943 6.795 1.00 32.53 H new ATOM 0 HA THR A 28 6.388 -1.822 6.150 1.00 4.01 H new ATOM 0 HB THR A 28 8.128 -0.076 4.389 1.00 24.33 H new ATOM 0 HG1 THR A 28 7.474 1.683 5.792 1.00 2.35 H new ATOM 0 HG21 THR A 28 6.001 1.110 3.998 1.00 24.33 H new ATOM 0 HG22 THR A 28 5.881 -0.613 3.571 1.00 24.33 H new ATOM 0 HG23 THR A 28 5.174 -0.022 5.093 1.00 24.33 H new ATOM 434 N VAL A 29 8.716 -2.450 3.864 1.00 43.44 N ATOM 435 CA VAL A 29 9.060 -3.328 2.752 1.00 75.14 C ATOM 436 C VAL A 29 9.011 -4.792 3.173 1.00 74.42 C ATOM 437 O VAL A 29 8.785 -5.680 2.349 1.00 43.23 O ATOM 438 CB VAL A 29 10.461 -3.011 2.198 1.00 24.10 C ATOM 439 CG1 VAL A 29 10.742 -3.836 0.951 1.00 42.40 C ATOM 440 CG2 VAL A 29 10.595 -1.524 1.905 1.00 35.23 C ATOM 0 H VAL A 29 9.415 -1.736 4.069 1.00 43.44 H new ATOM 0 HA VAL A 29 8.321 -3.152 1.970 1.00 75.14 H new ATOM 0 HB VAL A 29 11.200 -3.277 2.954 1.00 24.10 H new ATOM 0 HG11 VAL A 29 11.737 -3.598 0.574 1.00 42.40 H new ATOM 0 HG12 VAL A 29 10.691 -4.897 1.197 1.00 42.40 H new ATOM 0 HG13 VAL A 29 10.000 -3.605 0.187 1.00 42.40 H new ATOM 0 HG21 VAL A 29 11.592 -1.319 1.514 1.00 35.23 H new ATOM 0 HG22 VAL A 29 9.848 -1.230 1.168 1.00 35.23 H new ATOM 0 HG23 VAL A 29 10.441 -0.957 2.823 1.00 35.23 H new ATOM 450 N LEU A 30 9.222 -5.039 4.461 1.00 64.12 N ATOM 451 CA LEU A 30 9.202 -6.397 4.993 1.00 31.22 C ATOM 452 C LEU A 30 7.790 -6.973 4.962 1.00 32.01 C ATOM 453 O LEU A 30 7.605 -8.183 4.838 1.00 61.31 O ATOM 454 CB LEU A 30 9.740 -6.413 6.425 1.00 11.10 C ATOM 455 CG LEU A 30 11.244 -6.646 6.574 1.00 33.45 C ATOM 456 CD1 LEU A 30 11.682 -6.398 8.009 1.00 5.32 C ATOM 457 CD2 LEU A 30 11.610 -8.058 6.140 1.00 40.02 C ATOM 0 H LEU A 30 9.409 -4.317 5.156 1.00 64.12 H new ATOM 0 HA LEU A 30 9.841 -7.017 4.364 1.00 31.22 H new ATOM 0 HB2 LEU A 30 9.491 -5.462 6.896 1.00 11.10 H new ATOM 0 HB3 LEU A 30 9.215 -7.190 6.980 1.00 11.10 H new ATOM 0 HG LEU A 30 11.768 -5.941 5.928 1.00 33.45 H new ATOM 0 HD11 LEU A 30 12.755 -6.569 8.097 1.00 5.32 H new ATOM 0 HD12 LEU A 30 11.454 -5.369 8.286 1.00 5.32 H new ATOM 0 HD13 LEU A 30 11.151 -7.079 8.674 1.00 5.32 H new ATOM 0 HD21 LEU A 30 12.684 -8.206 6.253 1.00 40.02 H new ATOM 0 HD22 LEU A 30 11.077 -8.779 6.760 1.00 40.02 H new ATOM 0 HD23 LEU A 30 11.331 -8.201 5.096 1.00 40.02 H new ATOM 469 N ALA A 31 6.797 -6.097 5.074 1.00 75.13 N ATOM 470 CA ALA A 31 5.401 -6.518 5.054 1.00 1.00 C ATOM 471 C ALA A 31 4.896 -6.679 3.624 1.00 24.11 C ATOM 472 O ALA A 31 4.015 -7.494 3.355 1.00 33.33 O ATOM 473 CB ALA A 31 4.538 -5.519 5.811 1.00 20.40 C ATOM 0 H ALA A 31 6.933 -5.092 5.180 1.00 75.13 H new ATOM 0 HA ALA A 31 5.333 -7.488 5.547 1.00 1.00 H new ATOM 0 HB1 ALA A 31 3.498 -5.846 5.788 1.00 20.40 H new ATOM 0 HB2 ALA A 31 4.876 -5.457 6.845 1.00 20.40 H new ATOM 0 HB3 ALA A 31 4.621 -4.538 5.342 1.00 20.40 H new ATOM 479 N ALA A 32 5.461 -5.896 2.710 1.00 20.35 N ATOM 480 CA ALA A 32 5.069 -5.954 1.308 1.00 52.42 C ATOM 481 C ALA A 32 5.836 -7.043 0.567 1.00 25.32 C ATOM 482 O ALA A 32 5.358 -7.586 -0.427 1.00 75.24 O ATOM 483 CB ALA A 32 5.291 -4.604 0.642 1.00 12.52 C ATOM 0 H ALA A 32 6.191 -5.214 2.916 1.00 20.35 H new ATOM 0 HA ALA A 32 4.008 -6.200 1.264 1.00 52.42 H new ATOM 0 HB1 ALA A 32 4.994 -4.662 -0.405 1.00 12.52 H new ATOM 0 HB2 ALA A 32 4.693 -3.846 1.148 1.00 12.52 H new ATOM 0 HB3 ALA A 32 6.346 -4.336 0.706 1.00 12.52 H new ATOM 489 N ASN A 33 7.031 -7.358 1.059 1.00 53.34 N ATOM 490 CA ASN A 33 7.865 -8.382 0.442 1.00 64.31 C ATOM 491 C ASN A 33 8.290 -9.428 1.468 1.00 25.12 C ATOM 492 O ASN A 33 9.438 -9.468 1.912 1.00 1.43 O ATOM 493 CB ASN A 33 9.102 -7.746 -0.197 1.00 32.14 C ATOM 494 CG ASN A 33 8.893 -7.423 -1.664 1.00 24.24 C ATOM 495 OD1 ASN A 33 7.895 -6.597 -1.951 1.00 2.03 O flip ATOM 496 ND2 ASN A 33 9.622 -7.911 -2.528 1.00 54.33 N flip ATOM 0 H ASN A 33 7.442 -6.919 1.883 1.00 53.34 H new ATOM 0 HA ASN A 33 7.278 -8.876 -0.332 1.00 64.31 H new ATOM 0 HB2 ASN A 33 9.357 -6.833 0.341 1.00 32.14 H new ATOM 0 HB3 ASN A 33 9.950 -8.423 -0.094 1.00 32.14 H new ATOM 0 HD21 ASN A 33 10.378 -8.542 -2.261 1.00 54.33 H new ATOM 0 HD22 ASN A 33 9.470 -7.684 -3.511 1.00 54.33 H new ATOM 503 N PRO A 34 7.344 -10.297 1.854 1.00 2.35 N ATOM 504 CA PRO A 34 7.597 -11.360 2.832 1.00 50.23 C ATOM 505 C PRO A 34 8.510 -12.449 2.280 1.00 22.20 C ATOM 506 O PRO A 34 8.594 -12.648 1.069 1.00 41.01 O ATOM 507 CB PRO A 34 6.201 -11.923 3.112 1.00 65.01 C ATOM 508 CG PRO A 34 5.414 -11.612 1.886 1.00 2.31 C ATOM 509 CD PRO A 34 5.955 -10.308 1.367 1.00 71.45 C ATOM 0 HA PRO A 34 8.106 -10.985 3.720 1.00 50.23 H new ATOM 0 HB2 PRO A 34 6.237 -12.996 3.298 1.00 65.01 H new ATOM 0 HB3 PRO A 34 5.758 -11.462 3.995 1.00 65.01 H new ATOM 0 HG2 PRO A 34 5.521 -12.402 1.143 1.00 2.31 H new ATOM 0 HG3 PRO A 34 4.351 -11.530 2.114 1.00 2.31 H new ATOM 0 HD2 PRO A 34 5.910 -10.259 0.279 1.00 71.45 H new ATOM 0 HD3 PRO A 34 5.389 -9.458 1.748 1.00 71.45 H new ATOM 517 N GLY A 35 9.193 -13.153 3.178 1.00 63.34 N ATOM 518 CA GLY A 35 10.091 -14.214 2.761 1.00 63.43 C ATOM 519 C GLY A 35 11.450 -13.692 2.340 1.00 44.22 C ATOM 520 O GLY A 35 12.350 -14.469 2.018 1.00 44.21 O ATOM 0 H GLY A 35 9.140 -13.007 4.186 1.00 63.34 H new ATOM 0 HA2 GLY A 35 10.215 -14.923 3.579 1.00 63.43 H new ATOM 0 HA3 GLY A 35 9.642 -14.760 1.931 1.00 63.43 H new ATOM 524 N LEU A 36 11.601 -12.372 2.340 1.00 51.10 N ATOM 525 CA LEU A 36 12.860 -11.745 1.953 1.00 23.35 C ATOM 526 C LEU A 36 13.839 -11.723 3.123 1.00 21.31 C ATOM 527 O LEU A 36 15.047 -11.867 2.937 1.00 30.33 O ATOM 528 CB LEU A 36 12.612 -10.321 1.455 1.00 50.24 C ATOM 529 CG LEU A 36 13.600 -9.792 0.414 1.00 22.05 C ATOM 530 CD1 LEU A 36 15.000 -9.708 1.003 1.00 41.23 C ATOM 531 CD2 LEU A 36 13.593 -10.675 -0.825 1.00 52.52 C ATOM 0 H LEU A 36 10.867 -11.715 2.604 1.00 51.10 H new ATOM 0 HA LEU A 36 13.298 -12.334 1.147 1.00 23.35 H new ATOM 0 HB2 LEU A 36 11.609 -10.275 1.031 1.00 50.24 H new ATOM 0 HB3 LEU A 36 12.626 -9.650 2.314 1.00 50.24 H new ATOM 0 HG LEU A 36 13.289 -8.789 0.122 1.00 22.05 H new ATOM 0 HD11 LEU A 36 15.690 -9.330 0.249 1.00 41.23 H new ATOM 0 HD12 LEU A 36 14.994 -9.034 1.860 1.00 41.23 H new ATOM 0 HD13 LEU A 36 15.320 -10.700 1.323 1.00 41.23 H new ATOM 0 HD21 LEU A 36 14.302 -10.284 -1.555 1.00 52.52 H new ATOM 0 HD22 LEU A 36 13.879 -11.690 -0.550 1.00 52.52 H new ATOM 0 HD23 LEU A 36 12.593 -10.685 -1.259 1.00 52.52 H new ATOM 543 N ALA A 37 13.309 -11.544 4.328 1.00 33.25 N ATOM 544 CA ALA A 37 14.135 -11.508 5.529 1.00 52.11 C ATOM 545 C ALA A 37 14.824 -12.848 5.762 1.00 73.21 C ATOM 546 O ALA A 37 15.870 -12.914 6.405 1.00 24.14 O ATOM 547 CB ALA A 37 13.293 -11.128 6.738 1.00 53.22 C ATOM 0 H ALA A 37 12.311 -11.422 4.499 1.00 33.25 H new ATOM 0 HA ALA A 37 14.907 -10.752 5.386 1.00 52.11 H new ATOM 0 HB1 ALA A 37 13.923 -11.105 7.627 1.00 53.22 H new ATOM 0 HB2 ALA A 37 12.853 -10.144 6.580 1.00 53.22 H new ATOM 0 HB3 ALA A 37 12.499 -11.863 6.874 1.00 53.22 H new ATOM 553 N GLU A 38 14.229 -13.914 5.235 1.00 53.20 N ATOM 554 CA GLU A 38 14.786 -15.253 5.388 1.00 12.40 C ATOM 555 C GLU A 38 15.758 -15.570 4.256 1.00 43.03 C ATOM 556 O GLU A 38 16.446 -16.592 4.281 1.00 40.44 O ATOM 557 CB GLU A 38 13.666 -16.295 5.420 1.00 13.41 C ATOM 558 CG GLU A 38 12.887 -16.391 4.119 1.00 14.11 C ATOM 559 CD GLU A 38 12.107 -17.686 4.001 1.00 53.13 C ATOM 560 OE1 GLU A 38 11.957 -18.385 5.025 1.00 51.25 O ATOM 561 OE2 GLU A 38 11.646 -18.000 2.883 1.00 32.02 O ATOM 0 H GLU A 38 13.362 -13.876 4.699 1.00 53.20 H new ATOM 0 HA GLU A 38 15.331 -15.287 6.332 1.00 12.40 H new ATOM 0 HB2 GLU A 38 14.095 -17.270 5.650 1.00 13.41 H new ATOM 0 HB3 GLU A 38 12.977 -16.051 6.229 1.00 13.41 H new ATOM 0 HG2 GLU A 38 12.199 -15.549 4.049 1.00 14.11 H new ATOM 0 HG3 GLU A 38 13.577 -16.309 3.279 1.00 14.11 H new ATOM 568 N LEU A 39 15.810 -14.688 3.264 1.00 72.03 N ATOM 569 CA LEU A 39 16.697 -14.873 2.121 1.00 64.02 C ATOM 570 C LEU A 39 18.130 -15.128 2.579 1.00 34.13 C ATOM 571 O LEU A 39 18.753 -16.112 2.183 1.00 43.42 O ATOM 572 CB LEU A 39 16.652 -13.644 1.211 1.00 62.32 C ATOM 573 CG LEU A 39 17.061 -13.872 -0.245 1.00 4.31 C ATOM 574 CD1 LEU A 39 18.525 -14.275 -0.331 1.00 43.21 C ATOM 575 CD2 LEU A 39 16.176 -14.929 -0.889 1.00 23.03 C ATOM 0 H LEU A 39 15.248 -13.837 3.228 1.00 72.03 H new ATOM 0 HA LEU A 39 16.353 -15.744 1.563 1.00 64.02 H new ATOM 0 HB2 LEU A 39 15.638 -13.244 1.224 1.00 62.32 H new ATOM 0 HB3 LEU A 39 17.302 -12.879 1.635 1.00 62.32 H new ATOM 0 HG LEU A 39 16.930 -12.937 -0.790 1.00 4.31 H new ATOM 0 HD11 LEU A 39 18.798 -14.433 -1.374 1.00 43.21 H new ATOM 0 HD12 LEU A 39 19.145 -13.484 0.091 1.00 43.21 H new ATOM 0 HD13 LEU A 39 18.682 -15.197 0.229 1.00 43.21 H new ATOM 0 HD21 LEU A 39 16.482 -15.078 -1.925 1.00 23.03 H new ATOM 0 HD22 LEU A 39 16.274 -15.867 -0.343 1.00 23.03 H new ATOM 0 HD23 LEU A 39 15.137 -14.600 -0.861 1.00 23.03 H new ATOM 587 N GLY A 40 18.645 -14.235 3.420 1.00 74.45 N ATOM 588 CA GLY A 40 19.999 -14.383 3.920 1.00 12.11 C ATOM 589 C GLY A 40 20.631 -13.054 4.283 1.00 13.31 C ATOM 590 O GLY A 40 19.933 -12.102 4.631 1.00 51.53 O ATOM 0 H GLY A 40 18.149 -13.413 3.763 1.00 74.45 H new ATOM 0 HA2 GLY A 40 19.990 -15.030 4.798 1.00 12.11 H new ATOM 0 HA3 GLY A 40 20.610 -14.878 3.165 1.00 12.11 H new ATOM 594 N ALA A 41 21.956 -12.989 4.204 1.00 53.01 N ATOM 595 CA ALA A 41 22.681 -11.767 4.527 1.00 44.35 C ATOM 596 C ALA A 41 22.483 -10.709 3.446 1.00 63.21 C ATOM 597 O ALA A 41 22.078 -9.582 3.733 1.00 64.54 O ATOM 598 CB ALA A 41 24.162 -12.065 4.711 1.00 60.14 C ATOM 0 H ALA A 41 22.549 -13.769 3.919 1.00 53.01 H new ATOM 0 HA ALA A 41 22.282 -11.373 5.462 1.00 44.35 H new ATOM 0 HB1 ALA A 41 24.691 -11.143 4.952 1.00 60.14 H new ATOM 0 HB2 ALA A 41 24.291 -12.780 5.523 1.00 60.14 H new ATOM 0 HB3 ALA A 41 24.566 -12.485 3.790 1.00 60.14 H new ATOM 604 N VAL A 42 22.772 -11.079 2.202 1.00 31.12 N ATOM 605 CA VAL A 42 22.625 -10.162 1.078 1.00 30.13 C ATOM 606 C VAL A 42 21.660 -10.719 0.037 1.00 2.23 C ATOM 607 O VAL A 42 21.728 -11.895 -0.322 1.00 62.01 O ATOM 608 CB VAL A 42 23.981 -9.877 0.405 1.00 32.42 C ATOM 609 CG1 VAL A 42 24.515 -11.131 -0.271 1.00 41.31 C ATOM 610 CG2 VAL A 42 23.851 -8.737 -0.593 1.00 75.12 C ATOM 0 H VAL A 42 23.109 -12.007 1.947 1.00 31.12 H new ATOM 0 HA VAL A 42 22.224 -9.231 1.479 1.00 30.13 H new ATOM 0 HB VAL A 42 24.693 -9.576 1.174 1.00 32.42 H new ATOM 0 HG11 VAL A 42 25.473 -10.911 -0.741 1.00 41.31 H new ATOM 0 HG12 VAL A 42 24.648 -11.917 0.473 1.00 41.31 H new ATOM 0 HG13 VAL A 42 23.807 -11.465 -1.030 1.00 41.31 H new ATOM 0 HG21 VAL A 42 24.818 -8.549 -1.059 1.00 75.12 H new ATOM 0 HG22 VAL A 42 23.125 -9.006 -1.360 1.00 75.12 H new ATOM 0 HG23 VAL A 42 23.516 -7.837 -0.076 1.00 75.12 H new ATOM 620 N LEU A 43 20.762 -9.867 -0.444 1.00 43.44 N ATOM 621 CA LEU A 43 19.782 -10.273 -1.446 1.00 4.40 C ATOM 622 C LEU A 43 20.472 -10.756 -2.718 1.00 31.54 C ATOM 623 O LEU A 43 21.637 -10.454 -2.975 1.00 24.35 O ATOM 624 CB LEU A 43 18.845 -9.109 -1.772 1.00 13.22 C ATOM 625 CG LEU A 43 17.629 -8.950 -0.858 1.00 21.10 C ATOM 626 CD1 LEU A 43 18.062 -8.876 0.598 1.00 11.10 C ATOM 627 CD2 LEU A 43 16.831 -7.713 -1.243 1.00 34.14 C ATOM 0 H LEU A 43 20.692 -8.891 -0.157 1.00 43.44 H new ATOM 0 HA LEU A 43 19.199 -11.097 -1.035 1.00 4.40 H new ATOM 0 HB2 LEU A 43 19.422 -8.185 -1.740 1.00 13.22 H new ATOM 0 HB3 LEU A 43 18.492 -9.229 -2.796 1.00 13.22 H new ATOM 0 HG LEU A 43 16.989 -9.824 -0.981 1.00 21.10 H new ATOM 0 HD11 LEU A 43 17.184 -8.763 1.234 1.00 11.10 H new ATOM 0 HD12 LEU A 43 18.590 -9.791 0.868 1.00 11.10 H new ATOM 0 HD13 LEU A 43 18.723 -8.021 0.738 1.00 11.10 H new ATOM 0 HD21 LEU A 43 15.970 -7.616 -0.582 1.00 34.14 H new ATOM 0 HD22 LEU A 43 17.462 -6.829 -1.149 1.00 34.14 H new ATOM 0 HD23 LEU A 43 16.489 -7.807 -2.274 1.00 34.14 H new ATOM 639 N PRO A 44 19.736 -11.524 -3.535 1.00 32.33 N ATOM 640 CA PRO A 44 20.255 -12.064 -4.795 1.00 1.11 C ATOM 641 C PRO A 44 20.468 -10.980 -5.846 1.00 3.44 C ATOM 642 O PRO A 44 20.366 -9.788 -5.552 1.00 51.03 O ATOM 643 CB PRO A 44 19.160 -13.035 -5.243 1.00 51.21 C ATOM 644 CG PRO A 44 17.915 -12.523 -4.604 1.00 62.10 C ATOM 645 CD PRO A 44 18.340 -11.924 -3.292 1.00 34.34 C ATOM 0 HA PRO A 44 21.231 -12.531 -4.666 1.00 1.11 H new ATOM 0 HB2 PRO A 44 19.068 -13.055 -6.329 1.00 51.21 H new ATOM 0 HB3 PRO A 44 19.379 -14.054 -4.923 1.00 51.21 H new ATOM 0 HG2 PRO A 44 17.431 -11.778 -5.235 1.00 62.10 H new ATOM 0 HG3 PRO A 44 17.195 -13.327 -4.451 1.00 62.10 H new ATOM 0 HD2 PRO A 44 17.719 -11.070 -3.020 1.00 34.34 H new ATOM 0 HD3 PRO A 44 18.265 -12.645 -2.478 1.00 34.34 H new ATOM 653 N HIS A 45 20.765 -11.400 -7.071 1.00 40.24 N ATOM 654 CA HIS A 45 20.992 -10.464 -8.167 1.00 14.44 C ATOM 655 C HIS A 45 20.034 -10.737 -9.322 1.00 72.22 C ATOM 656 O HIS A 45 20.386 -11.415 -10.287 1.00 4.52 O ATOM 657 CB HIS A 45 22.438 -10.557 -8.654 1.00 53.04 C ATOM 658 CG HIS A 45 22.984 -11.951 -8.644 1.00 64.31 C ATOM 659 ND1 HIS A 45 22.437 -13.120 -9.051 1.00 24.33 N flip ATOM 660 CD2 HIS A 45 24.241 -12.263 -8.171 1.00 75.12 C flip ATOM 661 CE1 HIS A 45 23.363 -14.107 -8.820 1.00 33.43 C flip ATOM 662 NE2 HIS A 45 24.444 -13.563 -8.289 1.00 3.30 N flip ATOM 0 H HIS A 45 20.854 -12.382 -7.330 1.00 40.24 H new ATOM 0 HA HIS A 45 20.806 -9.456 -7.796 1.00 14.44 H new ATOM 0 HB2 HIS A 45 22.498 -10.159 -9.667 1.00 53.04 H new ATOM 0 HB3 HIS A 45 23.066 -9.925 -8.026 1.00 53.04 H new ATOM 0 HD1 HIS A 45 21.509 -13.245 -9.455 1.00 24.33 H new ATOM 0 HD2 HIS A 45 24.949 -11.555 -7.767 1.00 75.12 H new ATOM 0 HE1 HIS A 45 23.230 -15.157 -9.037 1.00 33.43 H new ATOM 670 N GLY A 46 18.819 -10.206 -9.217 1.00 4.12 N ATOM 671 CA GLY A 46 17.830 -10.405 -10.259 1.00 54.02 C ATOM 672 C GLY A 46 16.420 -10.495 -9.710 1.00 74.41 C ATOM 673 O GLY A 46 15.446 -10.396 -10.458 1.00 31.24 O ATOM 0 H GLY A 46 18.503 -9.642 -8.428 1.00 4.12 H new ATOM 0 HA2 GLY A 46 17.887 -9.582 -10.972 1.00 54.02 H new ATOM 0 HA3 GLY A 46 18.062 -11.318 -10.807 1.00 54.02 H new ATOM 677 N THR A 47 16.308 -10.686 -8.399 1.00 74.32 N ATOM 678 CA THR A 47 15.007 -10.793 -7.751 1.00 32.33 C ATOM 679 C THR A 47 14.331 -9.431 -7.645 1.00 43.22 C ATOM 680 O THR A 47 14.912 -8.478 -7.127 1.00 4.12 O ATOM 681 CB THR A 47 15.130 -11.403 -6.342 1.00 31.04 C ATOM 682 OG1 THR A 47 15.676 -12.724 -6.426 1.00 33.25 O ATOM 683 CG2 THR A 47 13.775 -11.452 -5.653 1.00 15.44 C ATOM 0 H THR A 47 17.103 -10.770 -7.765 1.00 74.32 H new ATOM 0 HA THR A 47 14.398 -11.450 -8.372 1.00 32.33 H new ATOM 0 HB THR A 47 15.796 -10.772 -5.754 1.00 31.04 H new ATOM 0 HG1 THR A 47 15.333 -13.267 -5.686 1.00 33.25 H new ATOM 0 HG21 THR A 47 13.887 -11.887 -4.660 1.00 15.44 H new ATOM 0 HG22 THR A 47 13.375 -10.442 -5.564 1.00 15.44 H new ATOM 0 HG23 THR A 47 13.090 -12.063 -6.241 1.00 15.44 H new ATOM 691 N ALA A 48 13.101 -9.346 -8.139 1.00 54.25 N ATOM 692 CA ALA A 48 12.345 -8.100 -8.098 1.00 0.01 C ATOM 693 C ALA A 48 12.038 -7.692 -6.661 1.00 52.11 C ATOM 694 O ALA A 48 11.982 -8.534 -5.764 1.00 41.44 O ATOM 695 CB ALA A 48 11.057 -8.237 -8.897 1.00 3.24 C ATOM 0 H ALA A 48 12.606 -10.125 -8.573 1.00 54.25 H new ATOM 0 HA ALA A 48 12.956 -7.318 -8.548 1.00 0.01 H new ATOM 0 HB1 ALA A 48 10.503 -7.299 -8.858 1.00 3.24 H new ATOM 0 HB2 ALA A 48 11.295 -8.474 -9.934 1.00 3.24 H new ATOM 0 HB3 ALA A 48 10.449 -9.036 -8.473 1.00 3.24 H new ATOM 701 N VAL A 49 11.840 -6.395 -6.449 1.00 14.24 N ATOM 702 CA VAL A 49 11.537 -5.875 -5.120 1.00 65.13 C ATOM 703 C VAL A 49 10.638 -4.647 -5.202 1.00 75.21 C ATOM 704 O VAL A 49 10.986 -3.652 -5.836 1.00 2.34 O ATOM 705 CB VAL A 49 12.823 -5.506 -4.356 1.00 50.24 C ATOM 706 CG1 VAL A 49 12.487 -4.972 -2.972 1.00 41.12 C ATOM 707 CG2 VAL A 49 13.750 -6.708 -4.263 1.00 4.14 C ATOM 0 H VAL A 49 11.884 -5.685 -7.180 1.00 14.24 H new ATOM 0 HA VAL A 49 11.017 -6.667 -4.581 1.00 65.13 H new ATOM 0 HB VAL A 49 13.340 -4.720 -4.906 1.00 50.24 H new ATOM 0 HG11 VAL A 49 13.408 -4.717 -2.447 1.00 41.12 H new ATOM 0 HG12 VAL A 49 11.864 -4.082 -3.067 1.00 41.12 H new ATOM 0 HG13 VAL A 49 11.948 -5.734 -2.409 1.00 41.12 H new ATOM 0 HG21 VAL A 49 14.653 -6.430 -3.720 1.00 4.14 H new ATOM 0 HG22 VAL A 49 13.245 -7.517 -3.736 1.00 4.14 H new ATOM 0 HG23 VAL A 49 14.017 -7.040 -5.266 1.00 4.14 H new ATOM 717 N GLU A 50 9.478 -4.726 -4.556 1.00 42.22 N ATOM 718 CA GLU A 50 8.528 -3.620 -4.557 1.00 12.03 C ATOM 719 C GLU A 50 8.876 -2.603 -3.473 1.00 73.14 C ATOM 720 O GLU A 50 9.415 -2.957 -2.424 1.00 11.11 O ATOM 721 CB GLU A 50 7.105 -4.141 -4.344 1.00 71.14 C ATOM 722 CG GLU A 50 6.036 -3.071 -4.495 1.00 22.53 C ATOM 723 CD GLU A 50 5.657 -2.436 -3.171 1.00 52.24 C ATOM 724 OE1 GLU A 50 5.639 -3.156 -2.151 1.00 65.23 O ATOM 725 OE2 GLU A 50 5.377 -1.219 -3.156 1.00 22.05 O ATOM 0 H GLU A 50 9.174 -5.543 -4.026 1.00 42.22 H new ATOM 0 HA GLU A 50 8.585 -3.126 -5.527 1.00 12.03 H new ATOM 0 HB2 GLU A 50 6.909 -4.941 -5.058 1.00 71.14 H new ATOM 0 HB3 GLU A 50 7.032 -4.577 -3.348 1.00 71.14 H new ATOM 0 HG2 GLU A 50 6.394 -2.298 -5.175 1.00 22.53 H new ATOM 0 HG3 GLU A 50 5.149 -3.511 -4.950 1.00 22.53 H new ATOM 732 N LEU A 51 8.564 -1.339 -3.735 1.00 42.44 N ATOM 733 CA LEU A 51 8.844 -0.269 -2.784 1.00 12.22 C ATOM 734 C LEU A 51 7.551 0.371 -2.289 1.00 12.24 C ATOM 735 O LEU A 51 7.013 1.295 -2.899 1.00 41.22 O ATOM 736 CB LEU A 51 9.737 0.793 -3.428 1.00 25.42 C ATOM 737 CG LEU A 51 11.242 0.527 -3.371 1.00 43.30 C ATOM 738 CD1 LEU A 51 11.706 0.388 -1.929 1.00 72.03 C ATOM 739 CD2 LEU A 51 11.594 -0.720 -4.169 1.00 45.42 C ATOM 0 H LEU A 51 8.117 -1.030 -4.598 1.00 42.44 H new ATOM 0 HA LEU A 51 9.364 -0.703 -1.930 1.00 12.22 H new ATOM 0 HB2 LEU A 51 9.446 0.899 -4.473 1.00 25.42 H new ATOM 0 HB3 LEU A 51 9.538 1.749 -2.943 1.00 25.42 H new ATOM 0 HG LEU A 51 11.759 1.377 -3.817 1.00 43.30 H new ATOM 0 HD11 LEU A 51 12.779 0.199 -1.909 1.00 72.03 H new ATOM 0 HD12 LEU A 51 11.489 1.308 -1.387 1.00 72.03 H new ATOM 0 HD13 LEU A 51 11.182 -0.443 -1.457 1.00 72.03 H new ATOM 0 HD21 LEU A 51 12.669 -0.894 -4.117 1.00 45.42 H new ATOM 0 HD22 LEU A 51 11.067 -1.579 -3.753 1.00 45.42 H new ATOM 0 HD23 LEU A 51 11.299 -0.582 -5.209 1.00 45.42 H new ATOM 751 N PRO A 52 7.039 -0.129 -1.154 1.00 24.00 N ATOM 752 CA PRO A 52 5.805 0.381 -0.550 1.00 31.22 C ATOM 753 C PRO A 52 5.978 1.780 0.030 1.00 43.41 C ATOM 754 O PRO A 52 7.098 2.217 0.300 1.00 75.43 O ATOM 755 CB PRO A 52 5.513 -0.627 0.565 1.00 72.25 C ATOM 756 CG PRO A 52 6.841 -1.207 0.908 1.00 22.25 C ATOM 757 CD PRO A 52 7.627 -1.230 -0.373 1.00 63.42 C ATOM 0 HA PRO A 52 5.002 0.474 -1.281 1.00 31.22 H new ATOM 0 HB2 PRO A 52 5.058 -0.142 1.428 1.00 72.25 H new ATOM 0 HB3 PRO A 52 4.819 -1.398 0.230 1.00 72.25 H new ATOM 0 HG2 PRO A 52 7.346 -0.606 1.664 1.00 22.25 H new ATOM 0 HG3 PRO A 52 6.734 -2.211 1.318 1.00 22.25 H new ATOM 0 HD2 PRO A 52 8.691 -1.073 -0.195 1.00 63.42 H new ATOM 0 HD3 PRO A 52 7.528 -2.186 -0.888 1.00 63.42 H new ATOM 765 N ASP A 53 4.865 2.479 0.219 1.00 14.35 N ATOM 766 CA ASP A 53 4.894 3.830 0.769 1.00 34.31 C ATOM 767 C ASP A 53 5.629 4.782 -0.168 1.00 41.33 C ATOM 768 O ASP A 53 6.391 5.642 0.275 1.00 20.53 O ATOM 769 CB ASP A 53 5.563 3.829 2.144 1.00 2.42 C ATOM 770 CG ASP A 53 5.102 4.983 3.013 1.00 45.42 C ATOM 771 OD1 ASP A 53 4.372 5.857 2.500 1.00 62.31 O ATOM 772 OD2 ASP A 53 5.473 5.014 4.205 1.00 31.33 O ATOM 0 H ASP A 53 3.931 2.133 -0.000 1.00 14.35 H new ATOM 0 HA ASP A 53 3.866 4.175 0.875 1.00 34.31 H new ATOM 0 HB2 ASP A 53 5.346 2.888 2.650 1.00 2.42 H new ATOM 0 HB3 ASP A 53 6.644 3.882 2.019 1.00 2.42 H new ATOM 777 N VAL A 54 5.396 4.623 -1.467 1.00 44.24 N ATOM 778 CA VAL A 54 6.037 5.469 -2.468 1.00 34.21 C ATOM 779 C VAL A 54 5.005 6.098 -3.398 1.00 32.45 C ATOM 780 O VAL A 54 4.001 5.473 -3.738 1.00 54.13 O ATOM 781 CB VAL A 54 7.052 4.673 -3.309 1.00 73.52 C ATOM 782 CG1 VAL A 54 7.669 5.558 -4.380 1.00 43.53 C ATOM 783 CG2 VAL A 54 8.127 4.072 -2.417 1.00 64.42 C ATOM 0 H VAL A 54 4.768 3.917 -1.851 1.00 44.24 H new ATOM 0 HA VAL A 54 6.563 6.256 -1.927 1.00 34.21 H new ATOM 0 HB VAL A 54 6.526 3.857 -3.805 1.00 73.52 H new ATOM 0 HG11 VAL A 54 8.384 4.978 -4.964 1.00 43.53 H new ATOM 0 HG12 VAL A 54 6.885 5.935 -5.037 1.00 43.53 H new ATOM 0 HG13 VAL A 54 8.182 6.396 -3.908 1.00 43.53 H new ATOM 0 HG21 VAL A 54 8.836 3.513 -3.028 1.00 64.42 H new ATOM 0 HG22 VAL A 54 8.651 4.870 -1.891 1.00 64.42 H new ATOM 0 HG23 VAL A 54 7.665 3.402 -1.692 1.00 64.42 H new