USER MOD reduce.3.24.130724 H: found=0, std=0, add=436, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 434 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 GLY N :NH3+ -133:sc= 0 (180deg=-1.6) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.207) USER MOD Single : A 8 THR OG1 : rot 140:sc= -0.0331 USER MOD Single : A 11 THR OG1 : rot 180:sc= -1.05 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -8.43! C(o=-8.4!,f=-13!) USER MOD Single : A 22 ASN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= -0.0591 USER MOD Single : A 31 SER OG : rot 180:sc= -0.505 USER MOD Single : A 33 LYS NZ :NH3+ 164:sc= -0.0523 (180deg=-0.307) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.0475 X(o=-0.048,f=0) USER MOD Single : A 45 TYR OH : rot 0:sc= -0.577 USER MOD Single : A 48 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.123) USER MOD Single : A 49 GLN : amide:sc= -0.0445 X(o=-0.045,f=-0.15) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.700 0.688 -10.179 1.00 10.04 N ATOM 2 CA GLY A 1 -11.542 1.710 -9.584 1.00 61.22 C ATOM 3 C GLY A 1 -10.842 3.050 -9.482 1.00 0.50 C ATOM 4 O GLY A 1 -10.924 3.871 -10.395 1.00 11.20 O ATOM 0 H1 GLY A 1 -11.238 0.176 -10.907 1.00 10.04 H new ATOM 0 H2 GLY A 1 -9.867 1.134 -10.614 1.00 10.04 H new ATOM 0 H3 GLY A 1 -10.391 0.021 -9.443 1.00 10.04 H new ATOM 0 HA2 GLY A 1 -12.448 1.821 -10.179 1.00 61.22 H new ATOM 0 HA3 GLY A 1 -11.851 1.388 -8.589 1.00 61.22 H new ATOM 8 N GLU A 2 -10.153 3.273 -8.367 1.00 51.30 N ATOM 9 CA GLU A 2 -9.439 4.525 -8.149 1.00 5.52 C ATOM 10 C GLU A 2 -7.962 4.267 -7.861 1.00 74.45 C ATOM 11 O GLU A 2 -7.356 4.934 -7.023 1.00 12.30 O ATOM 12 CB GLU A 2 -10.067 5.301 -6.989 1.00 44.42 C ATOM 13 CG GLU A 2 -10.158 4.502 -5.700 1.00 62.24 C ATOM 14 CD GLU A 2 -11.344 3.557 -5.683 1.00 2.14 C ATOM 15 OE1 GLU A 2 -12.327 3.824 -6.405 1.00 1.34 O ATOM 16 OE2 GLU A 2 -11.288 2.550 -4.946 1.00 71.23 O ATOM 0 H GLU A 2 -10.074 2.603 -7.602 1.00 51.30 H new ATOM 0 HA GLU A 2 -9.516 5.120 -9.059 1.00 5.52 H new ATOM 0 HB2 GLU A 2 -9.482 6.202 -6.807 1.00 44.42 H new ATOM 0 HB3 GLU A 2 -11.067 5.623 -7.278 1.00 44.42 H new ATOM 0 HG2 GLU A 2 -9.240 3.930 -5.566 1.00 62.24 H new ATOM 0 HG3 GLU A 2 -10.232 5.188 -4.856 1.00 62.24 H new ATOM 23 N ILE A 3 -7.391 3.293 -8.563 1.00 12.15 N ATOM 24 CA ILE A 3 -5.987 2.946 -8.384 1.00 2.25 C ATOM 25 C ILE A 3 -5.098 3.748 -9.328 1.00 62.22 C ATOM 26 O ILE A 3 -4.878 3.356 -10.474 1.00 62.44 O ATOM 27 CB ILE A 3 -5.744 1.444 -8.619 1.00 24.20 C ATOM 28 CG1 ILE A 3 -6.619 0.610 -7.681 1.00 51.12 C ATOM 29 CG2 ILE A 3 -4.273 1.107 -8.419 1.00 15.44 C ATOM 30 CD1 ILE A 3 -7.985 0.296 -8.250 1.00 14.54 C ATOM 0 H ILE A 3 -7.879 2.731 -9.260 1.00 12.15 H new ATOM 0 HA ILE A 3 -5.731 3.190 -7.353 1.00 2.25 H new ATOM 0 HB ILE A 3 -6.015 1.204 -9.647 1.00 24.20 H new ATOM 0 HG12 ILE A 3 -6.106 -0.324 -7.453 1.00 51.12 H new ATOM 0 HG13 ILE A 3 -6.741 1.145 -6.739 1.00 51.12 H new ATOM 0 HG21 ILE A 3 -4.117 0.042 -8.589 1.00 15.44 H new ATOM 0 HG22 ILE A 3 -3.670 1.679 -9.124 1.00 15.44 H new ATOM 0 HG23 ILE A 3 -3.977 1.359 -7.401 1.00 15.44 H new ATOM 0 HD11 ILE A 3 -8.551 -0.298 -7.532 1.00 14.54 H new ATOM 0 HD12 ILE A 3 -8.517 1.225 -8.452 1.00 14.54 H new ATOM 0 HD13 ILE A 3 -7.873 -0.266 -9.177 1.00 14.54 H new ATOM 42 N LYS A 4 -4.587 4.873 -8.839 1.00 72.22 N ATOM 43 CA LYS A 4 -3.719 5.730 -9.637 1.00 63.25 C ATOM 44 C LYS A 4 -2.290 5.195 -9.651 1.00 52.13 C ATOM 45 O LYS A 4 -1.827 4.609 -8.674 1.00 32.41 O ATOM 46 CB LYS A 4 -3.734 7.159 -9.090 1.00 34.44 C ATOM 47 CG LYS A 4 -3.094 7.292 -7.719 1.00 23.51 C ATOM 48 CD LYS A 4 -3.259 8.695 -7.160 1.00 31.33 C ATOM 49 CE LYS A 4 -2.582 8.838 -5.805 1.00 51.22 C ATOM 50 NZ LYS A 4 -3.115 9.998 -5.039 1.00 13.41 N ATOM 0 H LYS A 4 -4.759 5.212 -7.893 1.00 72.22 H new ATOM 0 HA LYS A 4 -4.097 5.735 -10.659 1.00 63.25 H new ATOM 0 HB2 LYS A 4 -3.213 7.812 -9.790 1.00 34.44 H new ATOM 0 HB3 LYS A 4 -4.765 7.508 -9.036 1.00 34.44 H new ATOM 0 HG2 LYS A 4 -3.544 6.572 -7.035 1.00 23.51 H new ATOM 0 HG3 LYS A 4 -2.034 7.049 -7.786 1.00 23.51 H new ATOM 0 HD2 LYS A 4 -2.836 9.418 -7.857 1.00 31.33 H new ATOM 0 HD3 LYS A 4 -4.320 8.927 -7.064 1.00 31.33 H new ATOM 0 HE2 LYS A 4 -2.727 7.924 -5.228 1.00 51.22 H new ATOM 0 HE3 LYS A 4 -1.508 8.959 -5.946 1.00 51.22 H new ATOM 0 HZ1 LYS A 4 -2.629 10.061 -4.122 1.00 13.41 H new ATOM 0 HZ2 LYS A 4 -2.954 10.873 -5.578 1.00 13.41 H new ATOM 0 HZ3 LYS A 4 -4.135 9.871 -4.882 1.00 13.41 H new ATOM 64 N GLY A 5 -1.596 5.403 -10.766 1.00 22.00 N ATOM 65 CA GLY A 5 -0.227 4.937 -10.885 1.00 23.31 C ATOM 66 C GLY A 5 0.629 5.860 -11.730 1.00 31.33 C ATOM 67 O GLY A 5 0.113 6.754 -12.401 1.00 61.50 O ATOM 0 H GLY A 5 -1.957 5.886 -11.589 1.00 22.00 H new ATOM 0 HA2 GLY A 5 0.211 4.849 -9.891 1.00 23.31 H new ATOM 0 HA3 GLY A 5 -0.223 3.939 -11.324 1.00 23.31 H new ATOM 71 N ARG A 6 1.940 5.645 -11.696 1.00 31.33 N ATOM 72 CA ARG A 6 2.869 6.466 -12.462 1.00 50.50 C ATOM 73 C ARG A 6 2.788 6.136 -13.949 1.00 73.25 C ATOM 74 O ARG A 6 2.415 5.026 -14.331 1.00 24.14 O ATOM 75 CB ARG A 6 4.299 6.260 -11.960 1.00 63.01 C ATOM 76 CG ARG A 6 5.188 7.480 -12.135 1.00 43.31 C ATOM 77 CD ARG A 6 6.566 7.257 -11.531 1.00 40.04 C ATOM 78 NE ARG A 6 7.441 8.411 -11.722 1.00 72.22 N ATOM 79 CZ ARG A 6 8.724 8.425 -11.380 1.00 63.53 C ATOM 80 NH1 ARG A 6 9.280 7.352 -10.833 1.00 75.14 N ATOM 81 NH2 ARG A 6 9.455 9.513 -11.586 1.00 23.33 N ATOM 0 H ARG A 6 2.383 4.909 -11.146 1.00 31.33 H new ATOM 0 HA ARG A 6 2.590 7.511 -12.324 1.00 50.50 H new ATOM 0 HB2 ARG A 6 4.269 5.991 -10.904 1.00 63.01 H new ATOM 0 HB3 ARG A 6 4.743 5.418 -12.491 1.00 63.01 H new ATOM 0 HG2 ARG A 6 5.287 7.710 -13.196 1.00 43.31 H new ATOM 0 HG3 ARG A 6 4.719 8.344 -11.664 1.00 43.31 H new ATOM 0 HD2 ARG A 6 6.466 7.051 -10.465 1.00 40.04 H new ATOM 0 HD3 ARG A 6 7.022 6.377 -11.984 1.00 40.04 H new ATOM 0 HE ARG A 6 7.045 9.252 -12.141 1.00 72.22 H new ATOM 0 HH11 ARG A 6 8.722 6.513 -10.674 1.00 75.14 H new ATOM 0 HH12 ARG A 6 10.266 7.366 -10.571 1.00 75.14 H new ATOM 0 HH21 ARG A 6 9.031 10.340 -12.007 1.00 23.33 H new ATOM 0 HH22 ARG A 6 10.440 9.523 -11.323 1.00 23.33 H new ATOM 95 N LYS A 7 3.138 7.107 -14.786 1.00 61.20 N ATOM 96 CA LYS A 7 3.106 6.920 -16.232 1.00 2.42 C ATOM 97 C LYS A 7 3.992 5.751 -16.649 1.00 44.23 C ATOM 98 O LYS A 7 4.701 5.170 -15.826 1.00 74.03 O ATOM 99 CB LYS A 7 3.561 8.198 -16.942 1.00 31.34 C ATOM 100 CG LYS A 7 2.441 9.199 -17.169 1.00 23.41 C ATOM 101 CD LYS A 7 2.981 10.609 -17.342 1.00 75.42 C ATOM 102 CE LYS A 7 3.235 10.932 -18.806 1.00 63.14 C ATOM 103 NZ LYS A 7 4.555 10.418 -19.267 1.00 31.44 N ATOM 0 H LYS A 7 3.447 8.032 -14.488 1.00 61.20 H new ATOM 0 HA LYS A 7 2.079 6.696 -16.522 1.00 2.42 H new ATOM 0 HB2 LYS A 7 4.346 8.671 -16.352 1.00 31.34 H new ATOM 0 HB3 LYS A 7 4.000 7.933 -17.904 1.00 31.34 H new ATOM 0 HG2 LYS A 7 1.872 8.915 -18.054 1.00 23.41 H new ATOM 0 HG3 LYS A 7 1.752 9.173 -16.325 1.00 23.41 H new ATOM 0 HD2 LYS A 7 2.271 11.325 -16.928 1.00 75.42 H new ATOM 0 HD3 LYS A 7 3.908 10.717 -16.778 1.00 75.42 H new ATOM 0 HE2 LYS A 7 2.443 10.498 -19.416 1.00 63.14 H new ATOM 0 HE3 LYS A 7 3.195 12.011 -18.952 1.00 63.14 H new ATOM 0 HZ1 LYS A 7 4.829 10.903 -20.146 1.00 31.44 H new ATOM 0 HZ2 LYS A 7 5.272 10.597 -18.535 1.00 31.44 H new ATOM 0 HZ3 LYS A 7 4.487 9.395 -19.442 1.00 31.44 H new ATOM 117 N THR A 8 3.950 5.411 -17.934 1.00 11.31 N ATOM 118 CA THR A 8 4.749 4.312 -18.461 1.00 11.24 C ATOM 119 C THR A 8 5.381 4.683 -19.797 1.00 73.04 C ATOM 120 O THR A 8 4.920 5.599 -20.481 1.00 25.24 O ATOM 121 CB THR A 8 3.902 3.038 -18.642 1.00 10.43 C ATOM 122 OG1 THR A 8 2.868 2.993 -17.652 1.00 22.41 O ATOM 123 CG2 THR A 8 4.769 1.793 -18.535 1.00 75.42 C ATOM 0 H THR A 8 3.370 5.882 -18.629 1.00 11.31 H new ATOM 0 HA THR A 8 5.536 4.116 -17.733 1.00 11.24 H new ATOM 0 HB THR A 8 3.453 3.064 -19.635 1.00 10.43 H new ATOM 0 HG1 THR A 8 2.040 2.663 -18.059 1.00 22.41 H new ATOM 0 HG21 THR A 8 4.149 0.906 -18.666 1.00 75.42 H new ATOM 0 HG22 THR A 8 5.537 1.817 -19.308 1.00 75.42 H new ATOM 0 HG23 THR A 8 5.243 1.763 -17.554 1.00 75.42 H new ATOM 131 N LEU A 9 6.437 3.966 -20.166 1.00 53.42 N ATOM 132 CA LEU A 9 7.132 4.220 -21.423 1.00 60.14 C ATOM 133 C LEU A 9 7.212 2.952 -22.267 1.00 35.50 C ATOM 134 O LEU A 9 8.003 2.053 -21.982 1.00 11.31 O ATOM 135 CB LEU A 9 8.539 4.754 -21.152 1.00 3.51 C ATOM 136 CG LEU A 9 8.897 6.078 -21.830 1.00 20.42 C ATOM 137 CD1 LEU A 9 8.626 6.002 -23.324 1.00 64.14 C ATOM 138 CD2 LEU A 9 8.119 7.225 -21.203 1.00 4.55 C ATOM 0 H LEU A 9 6.830 3.205 -19.613 1.00 53.42 H new ATOM 0 HA LEU A 9 6.566 4.969 -21.977 1.00 60.14 H new ATOM 0 HB2 LEU A 9 8.658 4.876 -20.075 1.00 3.51 H new ATOM 0 HB3 LEU A 9 9.259 4.000 -21.469 1.00 3.51 H new ATOM 0 HG LEU A 9 9.961 6.264 -21.683 1.00 20.42 H new ATOM 0 HD11 LEU A 9 8.886 6.952 -23.790 1.00 64.14 H new ATOM 0 HD12 LEU A 9 9.228 5.206 -23.763 1.00 64.14 H new ATOM 0 HD13 LEU A 9 7.569 5.793 -23.492 1.00 64.14 H new ATOM 0 HD21 LEU A 9 8.386 8.159 -21.697 1.00 4.55 H new ATOM 0 HD22 LEU A 9 7.050 7.046 -21.319 1.00 4.55 H new ATOM 0 HD23 LEU A 9 8.363 7.293 -20.143 1.00 4.55 H new ATOM 150 N ALA A 10 6.388 2.887 -23.308 1.00 33.32 N ATOM 151 CA ALA A 10 6.368 1.731 -24.195 1.00 72.35 C ATOM 152 C ALA A 10 5.425 1.959 -25.373 1.00 24.45 C ATOM 153 O ALA A 10 4.565 2.839 -25.332 1.00 32.54 O ATOM 154 CB ALA A 10 5.963 0.482 -23.427 1.00 33.24 C ATOM 0 H ALA A 10 5.726 3.622 -23.557 1.00 33.32 H new ATOM 0 HA ALA A 10 7.374 1.590 -24.590 1.00 72.35 H new ATOM 0 HB1 ALA A 10 5.953 -0.373 -24.103 1.00 33.24 H new ATOM 0 HB2 ALA A 10 6.677 0.301 -22.624 1.00 33.24 H new ATOM 0 HB3 ALA A 10 4.968 0.622 -23.003 1.00 33.24 H new ATOM 160 N THR A 11 5.594 1.161 -26.422 1.00 75.55 N ATOM 161 CA THR A 11 4.759 1.276 -27.612 1.00 4.51 C ATOM 162 C THR A 11 3.279 1.198 -27.255 1.00 44.33 C ATOM 163 O THR A 11 2.897 0.703 -26.195 1.00 11.21 O ATOM 164 CB THR A 11 5.087 0.175 -28.638 1.00 5.23 C ATOM 165 OG1 THR A 11 5.580 -0.989 -27.966 1.00 34.55 O ATOM 166 CG2 THR A 11 6.121 0.662 -29.642 1.00 60.12 C ATOM 0 H THR A 11 6.301 0.428 -26.472 1.00 75.55 H new ATOM 0 HA THR A 11 4.972 2.249 -28.054 1.00 4.51 H new ATOM 0 HB THR A 11 4.172 -0.075 -29.175 1.00 5.23 H new ATOM 0 HG1 THR A 11 5.785 -1.685 -28.625 1.00 34.55 H new ATOM 0 HG21 THR A 11 6.337 -0.132 -30.356 1.00 60.12 H new ATOM 0 HG22 THR A 11 5.732 1.531 -30.172 1.00 60.12 H new ATOM 0 HG23 THR A 11 7.036 0.937 -29.118 1.00 60.12 H new ATOM 174 N PRO A 12 2.425 1.697 -28.161 1.00 14.45 N ATOM 175 CA PRO A 12 0.972 1.694 -27.964 1.00 10.24 C ATOM 176 C PRO A 12 0.380 0.291 -28.034 1.00 65.54 C ATOM 177 O PRO A 12 -0.766 0.070 -27.645 1.00 61.44 O ATOM 178 CB PRO A 12 0.455 2.551 -29.122 1.00 2.32 C ATOM 179 CG PRO A 12 1.502 2.435 -30.175 1.00 50.44 C ATOM 180 CD PRO A 12 2.810 2.303 -29.446 1.00 64.23 C ATOM 0 HA PRO A 12 0.694 2.071 -26.980 1.00 10.24 H new ATOM 0 HB2 PRO A 12 -0.509 2.191 -29.481 1.00 2.32 H new ATOM 0 HB3 PRO A 12 0.315 3.588 -28.816 1.00 2.32 H new ATOM 0 HG2 PRO A 12 1.321 1.569 -30.811 1.00 50.44 H new ATOM 0 HG3 PRO A 12 1.503 3.312 -30.823 1.00 50.44 H new ATOM 0 HD2 PRO A 12 3.513 1.674 -29.992 1.00 64.23 H new ATOM 0 HD3 PRO A 12 3.291 3.271 -29.306 1.00 64.23 H new ATOM 188 N ALA A 13 1.170 -0.655 -28.533 1.00 3.01 N ATOM 189 CA ALA A 13 0.725 -2.038 -28.652 1.00 1.20 C ATOM 190 C ALA A 13 0.925 -2.794 -27.343 1.00 13.54 C ATOM 191 O ALA A 13 0.243 -3.783 -27.075 1.00 65.53 O ATOM 192 CB ALA A 13 1.465 -2.735 -29.784 1.00 40.10 C ATOM 0 H ALA A 13 2.121 -0.488 -28.861 1.00 3.01 H new ATOM 0 HA ALA A 13 -0.341 -2.032 -28.879 1.00 1.20 H new ATOM 0 HB1 ALA A 13 1.123 -3.767 -29.861 1.00 40.10 H new ATOM 0 HB2 ALA A 13 1.267 -2.216 -30.722 1.00 40.10 H new ATOM 0 HB3 ALA A 13 2.536 -2.722 -29.581 1.00 40.10 H new ATOM 198 N VAL A 14 1.864 -2.321 -26.529 1.00 52.11 N ATOM 199 CA VAL A 14 2.153 -2.952 -25.247 1.00 11.00 C ATOM 200 C VAL A 14 1.112 -2.572 -24.200 1.00 41.51 C ATOM 201 O VAL A 14 0.815 -3.350 -23.294 1.00 31.11 O ATOM 202 CB VAL A 14 3.551 -2.561 -24.731 1.00 55.33 C ATOM 203 CG1 VAL A 14 3.839 -3.241 -23.402 1.00 1.12 C ATOM 204 CG2 VAL A 14 4.615 -2.910 -25.760 1.00 72.25 C ATOM 0 H VAL A 14 2.437 -1.503 -26.735 1.00 52.11 H new ATOM 0 HA VAL A 14 2.123 -4.029 -25.411 1.00 11.00 H new ATOM 0 HB VAL A 14 3.572 -1.483 -24.572 1.00 55.33 H new ATOM 0 HG11 VAL A 14 4.831 -2.953 -23.053 1.00 1.12 H new ATOM 0 HG12 VAL A 14 3.093 -2.936 -22.668 1.00 1.12 H new ATOM 0 HG13 VAL A 14 3.800 -4.323 -23.531 1.00 1.12 H new ATOM 0 HG21 VAL A 14 5.596 -2.627 -25.379 1.00 72.25 H new ATOM 0 HG22 VAL A 14 4.596 -3.983 -25.953 1.00 72.25 H new ATOM 0 HG23 VAL A 14 4.416 -2.371 -26.686 1.00 72.25 H new ATOM 214 N ARG A 15 0.561 -1.369 -24.331 1.00 72.43 N ATOM 215 CA ARG A 15 -0.447 -0.885 -23.396 1.00 11.20 C ATOM 216 C ARG A 15 -1.612 -1.865 -23.296 1.00 31.30 C ATOM 217 O ARG A 15 -1.915 -2.376 -22.218 1.00 32.42 O ATOM 218 CB ARG A 15 -0.959 0.489 -23.832 1.00 11.34 C ATOM 219 CG ARG A 15 -1.560 1.303 -22.697 1.00 75.13 C ATOM 220 CD ARG A 15 -3.047 1.023 -22.538 1.00 23.10 C ATOM 221 NE ARG A 15 -3.743 2.122 -21.875 1.00 41.54 N ATOM 222 CZ ARG A 15 -3.714 2.326 -20.563 1.00 34.31 C ATOM 223 NH1 ARG A 15 -3.028 1.508 -19.777 1.00 5.21 N ATOM 224 NH2 ARG A 15 -4.374 3.349 -20.034 1.00 63.33 N ATOM 0 H ARG A 15 0.796 -0.712 -25.075 1.00 72.43 H new ATOM 0 HA ARG A 15 0.017 -0.798 -22.414 1.00 11.20 H new ATOM 0 HB2 ARG A 15 -0.136 1.050 -24.274 1.00 11.34 H new ATOM 0 HB3 ARG A 15 -1.710 0.357 -24.611 1.00 11.34 H new ATOM 0 HG2 ARG A 15 -1.043 1.069 -21.766 1.00 75.13 H new ATOM 0 HG3 ARG A 15 -1.407 2.365 -22.889 1.00 75.13 H new ATOM 0 HD2 ARG A 15 -3.491 0.852 -23.519 1.00 23.10 H new ATOM 0 HD3 ARG A 15 -3.184 0.107 -21.963 1.00 23.10 H new ATOM 0 HE ARG A 15 -4.281 2.769 -22.451 1.00 41.54 H new ATOM 0 HH11 ARG A 15 -2.521 0.720 -20.180 1.00 5.21 H new ATOM 0 HH12 ARG A 15 -3.007 1.667 -18.770 1.00 5.21 H new ATOM 0 HH21 ARG A 15 -4.904 3.980 -20.635 1.00 63.33 H new ATOM 0 HH22 ARG A 15 -4.351 3.505 -19.026 1.00 63.33 H new ATOM 238 N ARG A 16 -2.261 -2.122 -24.427 1.00 32.22 N ATOM 239 CA ARG A 16 -3.394 -3.040 -24.466 1.00 44.42 C ATOM 240 C ARG A 16 -2.952 -4.463 -24.137 1.00 12.43 C ATOM 241 O ARG A 16 -3.723 -5.252 -23.588 1.00 43.13 O ATOM 242 CB ARG A 16 -4.057 -3.006 -25.844 1.00 62.13 C ATOM 243 CG ARG A 16 -5.116 -4.079 -26.037 1.00 14.44 C ATOM 244 CD ARG A 16 -4.534 -5.329 -26.677 1.00 41.21 C ATOM 245 NE ARG A 16 -4.618 -5.287 -28.135 1.00 3.15 N ATOM 246 CZ ARG A 16 -4.297 -6.310 -28.919 1.00 5.32 C ATOM 247 NH1 ARG A 16 -3.873 -7.449 -28.388 1.00 41.44 N ATOM 248 NH2 ARG A 16 -4.399 -6.195 -30.237 1.00 14.33 N ATOM 0 H ARG A 16 -2.022 -1.708 -25.328 1.00 32.22 H new ATOM 0 HA ARG A 16 -4.116 -2.719 -23.715 1.00 44.42 H new ATOM 0 HB2 ARG A 16 -4.512 -2.027 -25.995 1.00 62.13 H new ATOM 0 HB3 ARG A 16 -3.290 -3.122 -26.610 1.00 62.13 H new ATOM 0 HG2 ARG A 16 -5.557 -4.334 -25.073 1.00 14.44 H new ATOM 0 HG3 ARG A 16 -5.920 -3.690 -26.662 1.00 14.44 H new ATOM 0 HD2 ARG A 16 -3.492 -5.438 -26.377 1.00 41.21 H new ATOM 0 HD3 ARG A 16 -5.066 -6.206 -26.308 1.00 41.21 H new ATOM 0 HE ARG A 16 -4.941 -4.425 -28.575 1.00 3.15 H new ATOM 0 HH11 ARG A 16 -3.793 -7.541 -27.375 1.00 41.44 H new ATOM 0 HH12 ARG A 16 -3.627 -8.233 -28.992 1.00 41.44 H new ATOM 0 HH21 ARG A 16 -4.724 -5.320 -30.649 1.00 14.33 H new ATOM 0 HH22 ARG A 16 -4.152 -6.981 -30.838 1.00 14.33 H new ATOM 262 N LEU A 17 -1.708 -4.784 -24.475 1.00 55.11 N ATOM 263 CA LEU A 17 -1.164 -6.112 -24.216 1.00 21.20 C ATOM 264 C LEU A 17 -1.307 -6.481 -22.743 1.00 24.31 C ATOM 265 O LEU A 17 -1.940 -7.479 -22.401 1.00 74.35 O ATOM 266 CB LEU A 17 0.308 -6.171 -24.628 1.00 1.31 C ATOM 267 CG LEU A 17 0.847 -7.553 -24.999 1.00 53.34 C ATOM 268 CD1 LEU A 17 0.808 -8.482 -23.796 1.00 53.11 C ATOM 269 CD2 LEU A 17 0.052 -8.141 -26.156 1.00 64.42 C ATOM 0 H LEU A 17 -1.057 -4.143 -24.929 1.00 55.11 H new ATOM 0 HA LEU A 17 -1.730 -6.831 -24.808 1.00 21.20 H new ATOM 0 HB2 LEU A 17 0.453 -5.506 -25.479 1.00 1.31 H new ATOM 0 HB3 LEU A 17 0.910 -5.776 -23.809 1.00 1.31 H new ATOM 0 HG LEU A 17 1.885 -7.445 -25.314 1.00 53.34 H new ATOM 0 HD11 LEU A 17 1.195 -9.461 -24.079 1.00 53.11 H new ATOM 0 HD12 LEU A 17 1.421 -8.067 -22.996 1.00 53.11 H new ATOM 0 HD13 LEU A 17 -0.220 -8.585 -23.449 1.00 53.11 H new ATOM 0 HD21 LEU A 17 0.449 -9.125 -26.407 1.00 64.42 H new ATOM 0 HD22 LEU A 17 -0.995 -8.235 -25.868 1.00 64.42 H new ATOM 0 HD23 LEU A 17 0.132 -7.485 -27.023 1.00 64.42 H new ATOM 281 N ALA A 18 -0.714 -5.668 -21.874 1.00 75.04 N ATOM 282 CA ALA A 18 -0.779 -5.907 -20.438 1.00 12.41 C ATOM 283 C ALA A 18 -2.224 -6.041 -19.968 1.00 63.43 C ATOM 284 O ALA A 18 -2.500 -6.691 -18.960 1.00 54.04 O ATOM 285 CB ALA A 18 -0.080 -4.785 -19.685 1.00 2.25 C ATOM 0 H ALA A 18 -0.183 -4.838 -22.140 1.00 75.04 H new ATOM 0 HA ALA A 18 -0.267 -6.846 -20.227 1.00 12.41 H new ATOM 0 HB1 ALA A 18 -0.136 -4.976 -18.613 1.00 2.25 H new ATOM 0 HB2 ALA A 18 0.965 -4.737 -19.991 1.00 2.25 H new ATOM 0 HB3 ALA A 18 -0.568 -3.837 -19.910 1.00 2.25 H new ATOM 291 N MET A 19 -3.141 -5.423 -20.705 1.00 43.01 N ATOM 292 CA MET A 19 -4.557 -5.475 -20.363 1.00 75.13 C ATOM 293 C MET A 19 -5.121 -6.874 -20.592 1.00 22.11 C ATOM 294 O MET A 19 -6.029 -7.310 -19.885 1.00 52.44 O ATOM 295 CB MET A 19 -5.342 -4.455 -21.191 1.00 64.33 C ATOM 296 CG MET A 19 -6.621 -3.982 -20.520 1.00 61.32 C ATOM 297 SD MET A 19 -6.309 -2.873 -19.134 1.00 5.33 S ATOM 298 CE MET A 19 -7.800 -3.108 -18.169 1.00 44.45 C ATOM 0 H MET A 19 -2.929 -4.881 -21.542 1.00 43.01 H new ATOM 0 HA MET A 19 -4.658 -5.230 -19.306 1.00 75.13 H new ATOM 0 HB2 MET A 19 -4.705 -3.593 -21.389 1.00 64.33 H new ATOM 0 HB3 MET A 19 -5.590 -4.897 -22.156 1.00 64.33 H new ATOM 0 HG2 MET A 19 -7.245 -3.473 -21.254 1.00 61.32 H new ATOM 0 HG3 MET A 19 -7.184 -4.847 -20.169 1.00 61.32 H new ATOM 0 HE1 MET A 19 -7.757 -2.486 -17.275 1.00 44.45 H new ATOM 0 HE2 MET A 19 -8.668 -2.826 -18.766 1.00 44.45 H new ATOM 0 HE3 MET A 19 -7.884 -4.155 -17.878 1.00 44.45 H new ATOM 308 N GLU A 20 -4.576 -7.572 -21.583 1.00 65.22 N ATOM 309 CA GLU A 20 -5.026 -8.921 -21.904 1.00 61.52 C ATOM 310 C GLU A 20 -4.666 -9.896 -20.786 1.00 12.40 C ATOM 311 O GLU A 20 -5.307 -10.933 -20.622 1.00 52.31 O ATOM 312 CB GLU A 20 -4.406 -9.390 -23.222 1.00 51.24 C ATOM 313 CG GLU A 20 -3.073 -10.098 -23.050 1.00 62.14 C ATOM 314 CD GLU A 20 -2.188 -9.981 -24.276 1.00 62.32 C ATOM 315 OE1 GLU A 20 -2.578 -9.269 -25.224 1.00 44.44 O ATOM 316 OE2 GLU A 20 -1.105 -10.603 -24.286 1.00 63.14 O ATOM 0 H GLU A 20 -3.823 -7.226 -22.177 1.00 65.22 H new ATOM 0 HA GLU A 20 -6.111 -8.898 -22.008 1.00 61.52 H new ATOM 0 HB2 GLU A 20 -5.103 -10.062 -23.723 1.00 51.24 H new ATOM 0 HB3 GLU A 20 -4.269 -8.529 -23.876 1.00 51.24 H new ATOM 0 HG2 GLU A 20 -2.552 -9.679 -22.189 1.00 62.14 H new ATOM 0 HG3 GLU A 20 -3.251 -11.151 -22.834 1.00 62.14 H new ATOM 323 N ASN A 21 -3.636 -9.553 -20.020 1.00 24.23 N ATOM 324 CA ASN A 21 -3.189 -10.397 -18.917 1.00 70.35 C ATOM 325 C ASN A 21 -3.548 -9.772 -17.573 1.00 51.31 C ATOM 326 O ASN A 21 -3.220 -10.312 -16.518 1.00 64.41 O ATOM 327 CB ASN A 21 -1.678 -10.623 -19.000 1.00 70.13 C ATOM 328 CG ASN A 21 -0.934 -9.389 -19.473 1.00 11.24 C ATOM 329 OD1 ASN A 21 -0.648 -8.485 -18.688 1.00 5.15 O ATOM 330 ND2 ASN A 21 -0.618 -9.346 -20.762 1.00 1.14 N ATOM 0 H ASN A 21 -3.095 -8.697 -20.142 1.00 24.23 H new ATOM 0 HA ASN A 21 -3.698 -11.357 -18.998 1.00 70.35 H new ATOM 0 HB2 ASN A 21 -1.303 -10.917 -18.020 1.00 70.13 H new ATOM 0 HB3 ASN A 21 -1.474 -11.450 -19.680 1.00 70.13 H new ATOM 0 HD21 ASN A 21 -0.118 -8.540 -21.138 1.00 1.14 H new ATOM 0 HD22 ASN A 21 -0.875 -10.119 -21.376 1.00 1.14 H new ATOM 337 N ASN A 22 -4.225 -8.629 -17.620 1.00 50.14 N ATOM 338 CA ASN A 22 -4.629 -7.929 -16.406 1.00 72.23 C ATOM 339 C ASN A 22 -3.420 -7.620 -15.528 1.00 72.54 C ATOM 340 O ASN A 22 -3.357 -8.039 -14.372 1.00 71.21 O ATOM 341 CB ASN A 22 -5.642 -8.767 -15.623 1.00 2.01 C ATOM 342 CG ASN A 22 -7.047 -8.644 -16.179 1.00 73.00 C ATOM 343 OD1 ASN A 22 -7.176 -8.767 -17.495 1.00 30.11 O flip ATOM 344 ND2 ASN A 22 -8.006 -8.441 -15.434 1.00 64.00 N flip ATOM 0 H ASN A 22 -4.505 -8.168 -18.486 1.00 50.14 H new ATOM 0 HA ASN A 22 -5.094 -6.987 -16.697 1.00 72.23 H new ATOM 0 HB2 ASN A 22 -5.337 -9.813 -15.643 1.00 2.01 H new ATOM 0 HB3 ASN A 22 -5.639 -8.454 -14.579 1.00 2.01 H new ATOM 0 HD21 ASN A 22 -7.861 -8.353 -14.428 1.00 64.00 H new ATOM 0 HD22 ASN A 22 -8.946 -8.361 -15.823 1.00 64.00 H new ATOM 351 N ILE A 23 -2.464 -6.885 -16.085 1.00 63.54 N ATOM 352 CA ILE A 23 -1.258 -6.519 -15.353 1.00 21.32 C ATOM 353 C ILE A 23 -0.855 -5.078 -15.643 1.00 42.41 C ATOM 354 O ILE A 23 -0.489 -4.738 -16.769 1.00 11.24 O ATOM 355 CB ILE A 23 -0.082 -7.450 -15.703 1.00 41.13 C ATOM 356 CG1 ILE A 23 -0.432 -8.900 -15.364 1.00 71.23 C ATOM 357 CG2 ILE A 23 1.175 -7.016 -14.964 1.00 62.13 C ATOM 358 CD1 ILE A 23 0.512 -9.909 -15.979 1.00 24.42 C ATOM 0 H ILE A 23 -2.501 -6.531 -17.041 1.00 63.54 H new ATOM 0 HA ILE A 23 -1.489 -6.623 -14.293 1.00 21.32 H new ATOM 0 HB ILE A 23 0.108 -7.383 -16.774 1.00 41.13 H new ATOM 0 HG12 ILE A 23 -0.427 -9.023 -14.281 1.00 71.23 H new ATOM 0 HG13 ILE A 23 -1.446 -9.109 -15.704 1.00 71.23 H new ATOM 0 HG21 ILE A 23 1.997 -7.684 -15.222 1.00 62.13 H new ATOM 0 HG22 ILE A 23 1.432 -5.996 -15.251 1.00 62.13 H new ATOM 0 HG23 ILE A 23 0.998 -7.057 -13.889 1.00 62.13 H new ATOM 0 HD11 ILE A 23 0.203 -10.915 -15.696 1.00 24.42 H new ATOM 0 HD12 ILE A 23 0.489 -9.814 -17.065 1.00 24.42 H new ATOM 0 HD13 ILE A 23 1.525 -9.726 -15.620 1.00 24.42 H new ATOM 370 N LYS A 24 -0.922 -4.233 -14.620 1.00 13.31 N ATOM 371 CA LYS A 24 -0.562 -2.827 -14.762 1.00 64.24 C ATOM 372 C LYS A 24 0.865 -2.682 -15.282 1.00 51.44 C ATOM 373 O LYS A 24 1.685 -3.589 -15.138 1.00 71.42 O ATOM 374 CB LYS A 24 -0.703 -2.105 -13.421 1.00 0.51 C ATOM 375 CG LYS A 24 0.286 -2.576 -12.369 1.00 34.43 C ATOM 376 CD LYS A 24 -0.414 -3.307 -11.234 1.00 44.43 C ATOM 377 CE LYS A 24 -1.288 -2.365 -10.421 1.00 12.03 C ATOM 378 NZ LYS A 24 -2.545 -3.025 -9.971 1.00 51.11 N ATOM 0 H LYS A 24 -1.223 -4.498 -13.682 1.00 13.31 H new ATOM 0 HA LYS A 24 -1.242 -2.374 -15.484 1.00 64.24 H new ATOM 0 HB2 LYS A 24 -0.570 -1.035 -13.579 1.00 0.51 H new ATOM 0 HB3 LYS A 24 -1.716 -2.249 -13.045 1.00 0.51 H new ATOM 0 HG2 LYS A 24 1.022 -3.236 -12.829 1.00 34.43 H new ATOM 0 HG3 LYS A 24 0.831 -1.720 -11.971 1.00 34.43 H new ATOM 0 HD2 LYS A 24 -1.025 -4.113 -11.641 1.00 44.43 H new ATOM 0 HD3 LYS A 24 0.329 -3.768 -10.584 1.00 44.43 H new ATOM 0 HE2 LYS A 24 -0.732 -2.012 -9.552 1.00 12.03 H new ATOM 0 HE3 LYS A 24 -1.533 -1.488 -11.020 1.00 12.03 H new ATOM 0 HZ1 LYS A 24 -3.113 -2.350 -9.420 1.00 51.11 H new ATOM 0 HZ2 LYS A 24 -3.088 -3.339 -10.800 1.00 51.11 H new ATOM 0 HZ3 LYS A 24 -2.312 -3.847 -9.378 1.00 51.11 H new ATOM 392 N LEU A 25 1.155 -1.535 -15.886 1.00 44.51 N ATOM 393 CA LEU A 25 2.484 -1.269 -16.426 1.00 63.33 C ATOM 394 C LEU A 25 3.356 -0.552 -15.400 1.00 61.34 C ATOM 395 O LEU A 25 4.397 0.010 -15.740 1.00 63.51 O ATOM 396 CB LEU A 25 2.380 -0.429 -17.700 1.00 41.12 C ATOM 397 CG LEU A 25 1.335 -0.882 -18.720 1.00 32.41 C ATOM 398 CD1 LEU A 25 1.082 0.210 -19.747 1.00 51.20 C ATOM 399 CD2 LEU A 25 1.779 -2.167 -19.404 1.00 31.34 C ATOM 0 H LEU A 25 0.488 -0.774 -16.014 1.00 44.51 H new ATOM 0 HA LEU A 25 2.949 -2.225 -16.666 1.00 63.33 H new ATOM 0 HB2 LEU A 25 2.159 0.600 -17.416 1.00 41.12 H new ATOM 0 HB3 LEU A 25 3.355 -0.422 -18.187 1.00 41.12 H new ATOM 0 HG LEU A 25 0.402 -1.078 -18.192 1.00 32.41 H new ATOM 0 HD11 LEU A 25 0.336 -0.131 -20.464 1.00 51.20 H new ATOM 0 HD12 LEU A 25 0.719 1.106 -19.244 1.00 51.20 H new ATOM 0 HD13 LEU A 25 2.010 0.439 -20.271 1.00 51.20 H new ATOM 0 HD21 LEU A 25 1.023 -2.475 -20.127 1.00 31.34 H new ATOM 0 HD22 LEU A 25 2.725 -1.997 -19.918 1.00 31.34 H new ATOM 0 HD23 LEU A 25 1.908 -2.951 -18.658 1.00 31.34 H new ATOM 411 N SER A 26 2.924 -0.578 -14.144 1.00 3.35 N ATOM 412 CA SER A 26 3.665 0.071 -13.068 1.00 15.23 C ATOM 413 C SER A 26 4.300 -0.964 -12.145 1.00 3.25 C ATOM 414 O SER A 26 4.928 -0.616 -11.145 1.00 65.32 O ATOM 415 CB SER A 26 2.740 0.988 -12.265 1.00 32.04 C ATOM 416 OG SER A 26 1.380 0.649 -12.472 1.00 74.12 O ATOM 0 H SER A 26 2.065 -1.041 -13.846 1.00 3.35 H new ATOM 0 HA SER A 26 4.459 0.669 -13.515 1.00 15.23 H new ATOM 0 HB2 SER A 26 2.979 0.912 -11.204 1.00 32.04 H new ATOM 0 HB3 SER A 26 2.908 2.025 -12.557 1.00 32.04 H new ATOM 0 HG SER A 26 0.810 1.248 -11.947 1.00 74.12 H new ATOM 422 N GLU A 27 4.131 -2.237 -12.488 1.00 4.01 N ATOM 423 CA GLU A 27 4.688 -3.323 -11.690 1.00 12.04 C ATOM 424 C GLU A 27 5.680 -4.146 -12.507 1.00 14.03 C ATOM 425 O GLU A 27 6.630 -4.711 -11.965 1.00 12.12 O ATOM 426 CB GLU A 27 3.569 -4.226 -11.166 1.00 11.44 C ATOM 427 CG GLU A 27 3.915 -4.931 -9.865 1.00 73.10 C ATOM 428 CD GLU A 27 3.514 -4.129 -8.642 1.00 31.30 C ATOM 429 OE1 GLU A 27 2.383 -3.600 -8.623 1.00 61.21 O ATOM 430 OE2 GLU A 27 4.332 -4.031 -7.703 1.00 60.43 O ATOM 0 H GLU A 27 3.613 -2.542 -13.312 1.00 4.01 H new ATOM 0 HA GLU A 27 5.217 -2.884 -10.844 1.00 12.04 H new ATOM 0 HB2 GLU A 27 2.670 -3.628 -11.017 1.00 11.44 H new ATOM 0 HB3 GLU A 27 3.332 -4.974 -11.923 1.00 11.44 H new ATOM 0 HG2 GLU A 27 3.418 -5.901 -9.838 1.00 73.10 H new ATOM 0 HG3 GLU A 27 4.988 -5.122 -9.834 1.00 73.10 H new ATOM 437 N VAL A 28 5.451 -4.209 -13.815 1.00 31.54 N ATOM 438 CA VAL A 28 6.323 -4.962 -14.708 1.00 24.44 C ATOM 439 C VAL A 28 7.784 -4.575 -14.504 1.00 71.15 C ATOM 440 O VAL A 28 8.095 -3.425 -14.197 1.00 3.54 O ATOM 441 CB VAL A 28 5.945 -4.738 -16.184 1.00 14.34 C ATOM 442 CG1 VAL A 28 6.817 -5.589 -17.094 1.00 54.53 C ATOM 443 CG2 VAL A 28 4.471 -5.041 -16.407 1.00 72.11 C ATOM 0 H VAL A 28 4.669 -3.748 -14.279 1.00 31.54 H new ATOM 0 HA VAL A 28 6.191 -6.016 -14.464 1.00 24.44 H new ATOM 0 HB VAL A 28 6.119 -3.691 -16.431 1.00 14.34 H new ATOM 0 HG11 VAL A 28 6.535 -5.417 -18.133 1.00 54.53 H new ATOM 0 HG12 VAL A 28 7.863 -5.318 -16.952 1.00 54.53 H new ATOM 0 HG13 VAL A 28 6.678 -6.642 -16.850 1.00 54.53 H new ATOM 0 HG21 VAL A 28 4.220 -4.878 -17.455 1.00 72.11 H new ATOM 0 HG22 VAL A 28 4.269 -6.079 -16.143 1.00 72.11 H new ATOM 0 HG23 VAL A 28 3.866 -4.384 -15.783 1.00 72.11 H new ATOM 453 N VAL A 29 8.677 -5.544 -14.679 1.00 42.25 N ATOM 454 CA VAL A 29 10.106 -5.304 -14.517 1.00 62.41 C ATOM 455 C VAL A 29 10.654 -4.455 -15.658 1.00 42.31 C ATOM 456 O VAL A 29 11.172 -4.979 -16.643 1.00 51.13 O ATOM 457 CB VAL A 29 10.893 -6.627 -14.453 1.00 1.13 C ATOM 458 CG1 VAL A 29 12.383 -6.355 -14.314 1.00 23.53 C ATOM 459 CG2 VAL A 29 10.391 -7.490 -13.305 1.00 53.02 C ATOM 0 H VAL A 29 8.436 -6.502 -14.933 1.00 42.25 H new ATOM 0 HA VAL A 29 10.232 -4.768 -13.576 1.00 62.41 H new ATOM 0 HB VAL A 29 10.732 -7.171 -15.384 1.00 1.13 H new ATOM 0 HG11 VAL A 29 12.923 -7.301 -14.270 1.00 23.53 H new ATOM 0 HG12 VAL A 29 12.729 -5.779 -15.172 1.00 23.53 H new ATOM 0 HG13 VAL A 29 12.566 -5.790 -13.400 1.00 23.53 H new ATOM 0 HG21 VAL A 29 10.958 -8.421 -13.274 1.00 53.02 H new ATOM 0 HG22 VAL A 29 10.521 -6.955 -12.364 1.00 53.02 H new ATOM 0 HG23 VAL A 29 9.334 -7.713 -13.453 1.00 53.02 H new ATOM 469 N GLY A 30 10.537 -3.138 -15.517 1.00 52.34 N ATOM 470 CA GLY A 30 11.025 -2.236 -16.544 1.00 3.52 C ATOM 471 C GLY A 30 11.624 -0.969 -15.965 1.00 64.02 C ATOM 472 O GLY A 30 11.636 -0.779 -14.749 1.00 65.30 O ATOM 0 H GLY A 30 10.113 -2.680 -14.710 1.00 52.34 H new ATOM 0 HA2 GLY A 30 11.776 -2.748 -17.146 1.00 3.52 H new ATOM 0 HA3 GLY A 30 10.205 -1.974 -17.213 1.00 3.52 H new ATOM 476 N SER A 31 12.124 -0.100 -16.838 1.00 64.31 N ATOM 477 CA SER A 31 12.733 1.153 -16.407 1.00 21.54 C ATOM 478 C SER A 31 11.925 2.348 -16.902 1.00 11.14 C ATOM 479 O SER A 31 12.097 3.469 -16.424 1.00 30.30 O ATOM 480 CB SER A 31 14.172 1.248 -16.918 1.00 73.14 C ATOM 481 OG SER A 31 14.836 0.001 -16.807 1.00 42.25 O ATOM 0 H SER A 31 12.119 -0.241 -17.848 1.00 64.31 H new ATOM 0 HA SER A 31 12.741 1.168 -15.317 1.00 21.54 H new ATOM 0 HB2 SER A 31 14.171 1.572 -17.959 1.00 73.14 H new ATOM 0 HB3 SER A 31 14.714 2.004 -16.350 1.00 73.14 H new ATOM 0 HG SER A 31 15.753 0.088 -17.142 1.00 42.25 H new ATOM 487 N GLY A 32 11.041 2.100 -17.864 1.00 24.21 N ATOM 488 CA GLY A 32 10.219 3.164 -18.409 1.00 3.32 C ATOM 489 C GLY A 32 11.038 4.360 -18.853 1.00 23.01 C ATOM 490 O GLY A 32 10.568 5.497 -18.806 1.00 72.20 O ATOM 0 H GLY A 32 10.880 1.181 -18.275 1.00 24.21 H new ATOM 0 HA2 GLY A 32 9.651 2.782 -19.257 1.00 3.32 H new ATOM 0 HA3 GLY A 32 9.496 3.481 -17.658 1.00 3.32 H new ATOM 494 N LYS A 33 12.269 4.105 -19.284 1.00 30.20 N ATOM 495 CA LYS A 33 13.157 5.168 -19.738 1.00 50.42 C ATOM 496 C LYS A 33 13.265 5.174 -21.260 1.00 10.33 C ATOM 497 O LYS A 33 13.960 4.344 -21.845 1.00 72.43 O ATOM 498 CB LYS A 33 14.546 5.001 -19.118 1.00 61.44 C ATOM 499 CG LYS A 33 14.657 5.564 -17.712 1.00 52.22 C ATOM 500 CD LYS A 33 15.917 5.080 -17.015 1.00 44.53 C ATOM 501 CE LYS A 33 17.168 5.649 -17.668 1.00 1.24 C ATOM 502 NZ LYS A 33 17.225 7.133 -17.557 1.00 42.25 N ATOM 0 H LYS A 33 12.674 3.170 -19.328 1.00 30.20 H new ATOM 0 HA LYS A 33 12.735 6.121 -19.417 1.00 50.42 H new ATOM 0 HB2 LYS A 33 14.800 3.941 -19.097 1.00 61.44 H new ATOM 0 HB3 LYS A 33 15.281 5.492 -19.756 1.00 61.44 H new ATOM 0 HG2 LYS A 33 14.659 6.653 -17.754 1.00 52.22 H new ATOM 0 HG3 LYS A 33 13.783 5.269 -17.131 1.00 52.22 H new ATOM 0 HD2 LYS A 33 15.888 5.372 -15.965 1.00 44.53 H new ATOM 0 HD3 LYS A 33 15.954 3.991 -17.042 1.00 44.53 H new ATOM 0 HE2 LYS A 33 18.052 5.215 -17.199 1.00 1.24 H new ATOM 0 HE3 LYS A 33 17.192 5.362 -18.719 1.00 1.24 H new ATOM 0 HZ1 LYS A 33 18.191 7.460 -17.761 1.00 42.25 H new ATOM 0 HZ2 LYS A 33 16.565 7.558 -18.239 1.00 42.25 H new ATOM 0 HZ3 LYS A 33 16.959 7.420 -16.593 1.00 42.25 H new ATOM 516 N ASP A 34 12.575 6.116 -21.893 1.00 41.15 N ATOM 517 CA ASP A 34 12.596 6.232 -23.347 1.00 72.41 C ATOM 518 C ASP A 34 12.038 4.971 -24.000 1.00 54.13 C ATOM 519 O ASP A 34 12.401 4.629 -25.125 1.00 0.41 O ATOM 520 CB ASP A 34 14.021 6.488 -23.839 1.00 70.24 C ATOM 521 CG ASP A 34 14.056 7.346 -25.089 1.00 4.24 C ATOM 522 OD1 ASP A 34 13.696 6.836 -26.170 1.00 73.10 O ATOM 523 OD2 ASP A 34 14.444 8.529 -24.985 1.00 21.54 O ATOM 0 H ASP A 34 11.994 6.810 -21.423 1.00 41.15 H new ATOM 0 HA ASP A 34 11.966 7.075 -23.629 1.00 72.41 H new ATOM 0 HB2 ASP A 34 14.592 6.977 -23.050 1.00 70.24 H new ATOM 0 HB3 ASP A 34 14.509 5.535 -24.042 1.00 70.24 H new ATOM 528 N GLY A 35 11.152 4.283 -23.286 1.00 23.51 N ATOM 529 CA GLY A 35 10.559 3.067 -23.812 1.00 23.12 C ATOM 530 C GLY A 35 11.369 1.832 -23.470 1.00 61.10 C ATOM 531 O GLY A 35 11.536 0.941 -24.303 1.00 63.00 O ATOM 0 H GLY A 35 10.834 4.546 -22.353 1.00 23.51 H new ATOM 0 HA2 GLY A 35 9.550 2.957 -23.415 1.00 23.12 H new ATOM 0 HA3 GLY A 35 10.468 3.150 -24.895 1.00 23.12 H new ATOM 535 N ARG A 36 11.875 1.779 -22.242 1.00 74.20 N ATOM 536 CA ARG A 36 12.674 0.645 -21.793 1.00 50.22 C ATOM 537 C ARG A 36 11.814 -0.608 -21.660 1.00 14.11 C ATOM 538 O ARG A 36 12.304 -1.728 -21.804 1.00 44.15 O ATOM 539 CB ARG A 36 13.342 0.963 -20.454 1.00 51.12 C ATOM 540 CG ARG A 36 14.577 0.123 -20.175 1.00 62.30 C ATOM 541 CD ARG A 36 15.845 0.828 -20.631 1.00 22.24 C ATOM 542 NE ARG A 36 17.042 0.042 -20.342 1.00 1.30 N ATOM 543 CZ ARG A 36 17.381 -1.054 -21.011 1.00 52.14 C ATOM 544 NH1 ARG A 36 16.617 -1.492 -22.003 1.00 44.40 N ATOM 545 NH2 ARG A 36 18.486 -1.714 -20.690 1.00 33.55 N ATOM 0 H ARG A 36 11.746 2.508 -21.540 1.00 74.20 H new ATOM 0 HA ARG A 36 13.445 0.457 -22.540 1.00 50.22 H new ATOM 0 HB2 ARG A 36 13.619 2.017 -20.437 1.00 51.12 H new ATOM 0 HB3 ARG A 36 12.620 0.810 -19.652 1.00 51.12 H new ATOM 0 HG2 ARG A 36 14.641 -0.089 -19.108 1.00 62.30 H new ATOM 0 HG3 ARG A 36 14.489 -0.836 -20.685 1.00 62.30 H new ATOM 0 HD2 ARG A 36 15.788 1.020 -21.702 1.00 22.24 H new ATOM 0 HD3 ARG A 36 15.919 1.797 -20.137 1.00 22.24 H new ATOM 0 HE ARG A 36 17.651 0.352 -19.585 1.00 1.30 H new ATOM 0 HH11 ARG A 36 15.767 -0.987 -22.253 1.00 44.40 H new ATOM 0 HH12 ARG A 36 16.879 -2.334 -22.515 1.00 44.40 H new ATOM 0 HH21 ARG A 36 19.077 -1.380 -19.928 1.00 33.55 H new ATOM 0 HH22 ARG A 36 18.745 -2.556 -21.205 1.00 33.55 H new ATOM 559 N ILE A 37 10.529 -0.411 -21.383 1.00 1.40 N ATOM 560 CA ILE A 37 9.601 -1.524 -21.231 1.00 21.32 C ATOM 561 C ILE A 37 9.164 -2.065 -22.588 1.00 13.21 C ATOM 562 O ILE A 37 8.317 -1.474 -23.260 1.00 64.24 O ATOM 563 CB ILE A 37 8.353 -1.111 -20.429 1.00 31.43 C ATOM 564 CG1 ILE A 37 8.752 -0.247 -19.231 1.00 24.43 C ATOM 565 CG2 ILE A 37 7.588 -2.343 -19.969 1.00 34.24 C ATOM 566 CD1 ILE A 37 7.580 0.177 -18.374 1.00 40.55 C ATOM 0 H ILE A 37 10.107 0.510 -21.259 1.00 1.40 H new ATOM 0 HA ILE A 37 10.131 -2.305 -20.685 1.00 21.32 H new ATOM 0 HB ILE A 37 7.702 -0.523 -21.076 1.00 31.43 H new ATOM 0 HG12 ILE A 37 9.461 -0.800 -18.615 1.00 24.43 H new ATOM 0 HG13 ILE A 37 9.269 0.643 -19.591 1.00 24.43 H new ATOM 0 HG21 ILE A 37 6.709 -2.035 -19.403 1.00 34.24 H new ATOM 0 HG22 ILE A 37 7.276 -2.923 -20.838 1.00 34.24 H new ATOM 0 HG23 ILE A 37 8.231 -2.955 -19.336 1.00 34.24 H new ATOM 0 HD11 ILE A 37 7.938 0.786 -17.544 1.00 40.55 H new ATOM 0 HD12 ILE A 37 6.881 0.758 -18.976 1.00 40.55 H new ATOM 0 HD13 ILE A 37 7.076 -0.707 -17.984 1.00 40.55 H new ATOM 578 N LEU A 38 9.744 -3.192 -22.985 1.00 3.15 N ATOM 579 CA LEU A 38 9.413 -3.815 -24.262 1.00 4.34 C ATOM 580 C LEU A 38 8.826 -5.207 -24.053 1.00 5.05 C ATOM 581 O LEU A 38 8.704 -5.678 -22.922 1.00 14.45 O ATOM 582 CB LEU A 38 10.658 -3.901 -25.147 1.00 32.01 C ATOM 583 CG LEU A 38 11.166 -2.578 -25.722 1.00 35.30 C ATOM 584 CD1 LEU A 38 12.228 -1.975 -24.816 1.00 72.11 C ATOM 585 CD2 LEU A 38 11.713 -2.783 -27.127 1.00 5.22 C ATOM 0 H LEU A 38 10.446 -3.693 -22.441 1.00 3.15 H new ATOM 0 HA LEU A 38 8.665 -3.196 -24.757 1.00 4.34 H new ATOM 0 HB2 LEU A 38 11.461 -4.354 -24.566 1.00 32.01 H new ATOM 0 HB3 LEU A 38 10.444 -4.576 -25.976 1.00 32.01 H new ATOM 0 HG LEU A 38 10.329 -1.882 -25.778 1.00 35.30 H new ATOM 0 HD11 LEU A 38 12.578 -1.034 -25.241 1.00 72.11 H new ATOM 0 HD12 LEU A 38 11.803 -1.791 -23.829 1.00 72.11 H new ATOM 0 HD13 LEU A 38 13.066 -2.667 -24.727 1.00 72.11 H new ATOM 0 HD21 LEU A 38 12.070 -1.831 -27.521 1.00 5.22 H new ATOM 0 HD22 LEU A 38 12.537 -3.495 -27.096 1.00 5.22 H new ATOM 0 HD23 LEU A 38 10.924 -3.169 -27.772 1.00 5.22 H new ATOM 597 N LYS A 39 8.467 -5.863 -25.151 1.00 0.22 N ATOM 598 CA LYS A 39 7.896 -7.203 -25.090 1.00 22.12 C ATOM 599 C LYS A 39 8.808 -8.148 -24.314 1.00 62.10 C ATOM 600 O LYS A 39 8.342 -9.100 -23.688 1.00 42.34 O ATOM 601 CB LYS A 39 7.664 -7.746 -26.502 1.00 4.32 C ATOM 602 CG LYS A 39 6.543 -8.767 -26.585 1.00 0.24 C ATOM 603 CD LYS A 39 6.105 -8.999 -28.021 1.00 12.31 C ATOM 604 CE LYS A 39 5.450 -10.361 -28.191 1.00 12.12 C ATOM 605 NZ LYS A 39 6.443 -11.415 -28.538 1.00 40.44 N ATOM 0 H LYS A 39 8.562 -5.488 -26.095 1.00 0.22 H new ATOM 0 HA LYS A 39 6.940 -7.140 -24.570 1.00 22.12 H new ATOM 0 HB2 LYS A 39 7.437 -6.914 -27.169 1.00 4.32 H new ATOM 0 HB3 LYS A 39 8.586 -8.201 -26.863 1.00 4.32 H new ATOM 0 HG2 LYS A 39 6.875 -9.709 -26.148 1.00 0.24 H new ATOM 0 HG3 LYS A 39 5.693 -8.424 -25.995 1.00 0.24 H new ATOM 0 HD2 LYS A 39 5.406 -8.218 -28.320 1.00 12.31 H new ATOM 0 HD3 LYS A 39 6.968 -8.924 -28.682 1.00 12.31 H new ATOM 0 HE2 LYS A 39 4.937 -10.635 -27.269 1.00 12.12 H new ATOM 0 HE3 LYS A 39 4.692 -10.305 -28.973 1.00 12.12 H new ATOM 0 HZ1 LYS A 39 5.957 -12.328 -28.645 1.00 40.44 H new ATOM 0 HZ2 LYS A 39 6.915 -11.167 -29.431 1.00 40.44 H new ATOM 0 HZ3 LYS A 39 7.152 -11.487 -27.780 1.00 40.44 H new ATOM 619 N GLU A 40 10.109 -7.878 -24.359 1.00 1.42 N ATOM 620 CA GLU A 40 11.085 -8.705 -23.659 1.00 1.51 C ATOM 621 C GLU A 40 10.887 -8.619 -22.148 1.00 45.42 C ATOM 622 O GLU A 40 11.155 -9.575 -21.421 1.00 60.30 O ATOM 623 CB GLU A 40 12.507 -8.273 -24.024 1.00 21.14 C ATOM 624 CG GLU A 40 12.707 -8.030 -25.510 1.00 40.01 C ATOM 625 CD GLU A 40 14.140 -8.258 -25.951 1.00 73.41 C ATOM 626 OE1 GLU A 40 15.022 -7.482 -25.529 1.00 70.12 O ATOM 627 OE2 GLU A 40 14.378 -9.215 -26.718 1.00 43.45 O ATOM 0 H GLU A 40 10.511 -7.094 -24.872 1.00 1.42 H new ATOM 0 HA GLU A 40 10.936 -9.739 -23.969 1.00 1.51 H new ATOM 0 HB2 GLU A 40 12.752 -7.361 -23.479 1.00 21.14 H new ATOM 0 HB3 GLU A 40 13.207 -9.040 -23.692 1.00 21.14 H new ATOM 0 HG2 GLU A 40 12.048 -8.690 -26.074 1.00 40.01 H new ATOM 0 HG3 GLU A 40 12.415 -7.007 -25.750 1.00 40.01 H new ATOM 634 N ASP A 41 10.418 -7.466 -21.684 1.00 1.03 N ATOM 635 CA ASP A 41 10.184 -7.254 -20.260 1.00 52.11 C ATOM 636 C ASP A 41 8.813 -7.783 -19.850 1.00 51.13 C ATOM 637 O ASP A 41 8.657 -8.366 -18.777 1.00 3.22 O ATOM 638 CB ASP A 41 10.293 -5.767 -19.919 1.00 41.14 C ATOM 639 CG ASP A 41 11.712 -5.247 -20.044 1.00 73.14 C ATOM 640 OD1 ASP A 41 12.487 -5.398 -19.077 1.00 32.14 O ATOM 641 OD2 ASP A 41 12.047 -4.690 -21.110 1.00 63.02 O ATOM 0 H ASP A 41 10.192 -6.664 -22.273 1.00 1.03 H new ATOM 0 HA ASP A 41 10.946 -7.803 -19.706 1.00 52.11 H new ATOM 0 HB2 ASP A 41 9.641 -5.197 -20.580 1.00 41.14 H new ATOM 0 HB3 ASP A 41 9.937 -5.603 -18.902 1.00 41.14 H new ATOM 646 N ILE A 42 7.823 -7.575 -20.711 1.00 55.33 N ATOM 647 CA ILE A 42 6.465 -8.031 -20.438 1.00 42.34 C ATOM 648 C ILE A 42 6.380 -9.553 -20.468 1.00 3.01 C ATOM 649 O ILE A 42 5.935 -10.180 -19.505 1.00 41.35 O ATOM 650 CB ILE A 42 5.462 -7.452 -21.454 1.00 21.12 C ATOM 651 CG1 ILE A 42 5.463 -5.923 -21.390 1.00 63.33 C ATOM 652 CG2 ILE A 42 4.067 -7.998 -21.189 1.00 53.54 C ATOM 653 CD1 ILE A 42 4.951 -5.373 -20.078 1.00 4.33 C ATOM 0 H ILE A 42 7.935 -7.094 -21.603 1.00 55.33 H new ATOM 0 HA ILE A 42 6.207 -7.675 -19.441 1.00 42.34 H new ATOM 0 HB ILE A 42 5.766 -7.755 -22.456 1.00 21.12 H new ATOM 0 HG12 ILE A 42 6.478 -5.561 -21.555 1.00 63.33 H new ATOM 0 HG13 ILE A 42 4.850 -5.533 -22.202 1.00 63.33 H new ATOM 0 HG21 ILE A 42 3.369 -7.580 -21.914 1.00 53.54 H new ATOM 0 HG22 ILE A 42 4.078 -9.084 -21.280 1.00 53.54 H new ATOM 0 HG23 ILE A 42 3.753 -7.721 -20.183 1.00 53.54 H new ATOM 0 HD11 ILE A 42 4.980 -4.284 -20.104 1.00 4.33 H new ATOM 0 HD12 ILE A 42 3.925 -5.705 -19.920 1.00 4.33 H new ATOM 0 HD13 ILE A 42 5.578 -5.733 -19.263 1.00 4.33 H new ATOM 665 N LEU A 43 6.812 -10.143 -21.577 1.00 53.54 N ATOM 666 CA LEU A 43 6.787 -11.593 -21.732 1.00 53.14 C ATOM 667 C LEU A 43 7.518 -12.276 -20.581 1.00 72.34 C ATOM 668 O LEU A 43 7.116 -13.346 -20.126 1.00 65.44 O ATOM 669 CB LEU A 43 7.422 -11.994 -23.065 1.00 32.11 C ATOM 670 CG LEU A 43 6.828 -13.227 -23.748 1.00 14.54 C ATOM 671 CD1 LEU A 43 6.980 -13.126 -25.257 1.00 64.24 C ATOM 672 CD2 LEU A 43 7.487 -14.495 -23.226 1.00 51.01 C ATOM 0 H LEU A 43 7.184 -9.639 -22.382 1.00 53.54 H new ATOM 0 HA LEU A 43 5.746 -11.917 -21.720 1.00 53.14 H new ATOM 0 HB2 LEU A 43 7.343 -11.150 -23.751 1.00 32.11 H new ATOM 0 HB3 LEU A 43 8.485 -12.172 -22.899 1.00 32.11 H new ATOM 0 HG LEU A 43 5.764 -13.272 -23.514 1.00 14.54 H new ATOM 0 HD11 LEU A 43 6.552 -14.012 -25.726 1.00 64.24 H new ATOM 0 HD12 LEU A 43 6.460 -12.238 -25.616 1.00 64.24 H new ATOM 0 HD13 LEU A 43 8.037 -13.056 -25.512 1.00 64.24 H new ATOM 0 HD21 LEU A 43 7.052 -15.362 -23.723 1.00 51.01 H new ATOM 0 HD22 LEU A 43 8.557 -14.459 -23.429 1.00 51.01 H new ATOM 0 HD23 LEU A 43 7.325 -14.573 -22.151 1.00 51.01 H new ATOM 684 N ASN A 44 8.592 -11.649 -20.114 1.00 2.31 N ATOM 685 CA ASN A 44 9.379 -12.196 -19.014 1.00 53.32 C ATOM 686 C ASN A 44 8.675 -11.974 -17.679 1.00 13.10 C ATOM 687 O ASN A 44 8.746 -12.813 -16.781 1.00 3.03 O ATOM 688 CB ASN A 44 10.767 -11.554 -18.984 1.00 42.32 C ATOM 689 CG ASN A 44 11.778 -12.398 -18.233 1.00 65.22 C ATOM 690 OD1 ASN A 44 12.343 -11.964 -17.229 1.00 50.11 O ATOM 691 ND2 ASN A 44 12.012 -13.612 -18.718 1.00 71.23 N ATOM 0 H ASN A 44 8.938 -10.762 -20.480 1.00 2.31 H new ATOM 0 HA ASN A 44 9.486 -13.269 -19.175 1.00 53.32 H new ATOM 0 HB2 ASN A 44 11.115 -11.399 -20.005 1.00 42.32 H new ATOM 0 HB3 ASN A 44 10.700 -10.571 -18.517 1.00 42.32 H new ATOM 0 HD21 ASN A 44 12.683 -14.225 -18.255 1.00 71.23 H new ATOM 0 HD22 ASN A 44 11.521 -13.931 -19.553 1.00 71.23 H new ATOM 698 N TYR A 45 7.995 -10.840 -17.556 1.00 53.54 N ATOM 699 CA TYR A 45 7.279 -10.506 -16.331 1.00 31.14 C ATOM 700 C TYR A 45 6.055 -11.400 -16.154 1.00 52.54 C ATOM 701 O TYR A 45 5.893 -12.056 -15.125 1.00 3.24 O ATOM 702 CB TYR A 45 6.854 -9.037 -16.347 1.00 12.11 C ATOM 703 CG TYR A 45 6.272 -8.560 -15.035 1.00 73.33 C ATOM 704 CD1 TYR A 45 7.077 -8.392 -13.916 1.00 12.43 C ATOM 705 CD2 TYR A 45 4.916 -8.278 -14.916 1.00 44.22 C ATOM 706 CE1 TYR A 45 6.549 -7.957 -12.715 1.00 70.13 C ATOM 707 CE2 TYR A 45 4.380 -7.841 -13.720 1.00 62.52 C ATOM 708 CZ TYR A 45 5.200 -7.683 -12.623 1.00 23.24 C ATOM 709 OH TYR A 45 4.671 -7.249 -11.429 1.00 10.10 O ATOM 0 H TYR A 45 7.925 -10.136 -18.291 1.00 53.54 H new ATOM 0 HA TYR A 45 7.953 -10.673 -15.490 1.00 31.14 H new ATOM 0 HB2 TYR A 45 7.717 -8.421 -16.597 1.00 12.11 H new ATOM 0 HB3 TYR A 45 6.117 -8.889 -17.137 1.00 12.11 H new ATOM 0 HD1 TYR A 45 8.134 -8.605 -13.985 1.00 12.43 H new ATOM 0 HD2 TYR A 45 4.271 -8.403 -15.773 1.00 44.22 H new ATOM 0 HE1 TYR A 45 7.189 -7.832 -11.854 1.00 70.13 H new ATOM 0 HE2 TYR A 45 3.325 -7.624 -13.645 1.00 62.52 H new ATOM 0 HH TYR A 45 5.383 -7.191 -10.758 1.00 10.10 H new ATOM 719 N LEU A 46 5.195 -11.420 -17.167 1.00 1.02 N ATOM 720 CA LEU A 46 3.985 -12.233 -17.126 1.00 75.13 C ATOM 721 C LEU A 46 4.309 -13.675 -16.749 1.00 3.23 C ATOM 722 O LEU A 46 3.515 -14.348 -16.092 1.00 44.15 O ATOM 723 CB LEU A 46 3.276 -12.196 -18.482 1.00 20.05 C ATOM 724 CG LEU A 46 2.301 -11.038 -18.698 1.00 4.20 C ATOM 725 CD1 LEU A 46 2.952 -9.716 -18.322 1.00 12.41 C ATOM 726 CD2 LEU A 46 1.822 -11.007 -20.142 1.00 0.01 C ATOM 0 H LEU A 46 5.313 -10.883 -18.026 1.00 1.02 H new ATOM 0 HA LEU A 46 3.324 -11.818 -16.365 1.00 75.13 H new ATOM 0 HB2 LEU A 46 4.034 -12.158 -19.265 1.00 20.05 H new ATOM 0 HB3 LEU A 46 2.732 -13.132 -18.611 1.00 20.05 H new ATOM 0 HG LEU A 46 1.436 -11.190 -18.052 1.00 4.20 H new ATOM 0 HD11 LEU A 46 2.244 -8.903 -18.482 1.00 12.41 H new ATOM 0 HD12 LEU A 46 3.245 -9.740 -17.272 1.00 12.41 H new ATOM 0 HD13 LEU A 46 3.834 -9.556 -18.942 1.00 12.41 H new ATOM 0 HD21 LEU A 46 1.129 -10.177 -20.278 1.00 0.01 H new ATOM 0 HD22 LEU A 46 2.677 -10.879 -20.806 1.00 0.01 H new ATOM 0 HD23 LEU A 46 1.317 -11.944 -20.378 1.00 0.01 H new ATOM 738 N GLU A 47 5.482 -14.141 -17.166 1.00 43.33 N ATOM 739 CA GLU A 47 5.912 -15.502 -16.870 1.00 71.31 C ATOM 740 C GLU A 47 5.913 -15.757 -15.366 1.00 24.15 C ATOM 741 O GLU A 47 5.094 -16.519 -14.852 1.00 72.11 O ATOM 742 CB GLU A 47 7.308 -15.756 -17.443 1.00 32.41 C ATOM 743 CG GLU A 47 7.294 -16.312 -18.857 1.00 55.42 C ATOM 744 CD GLU A 47 6.483 -17.588 -18.975 1.00 10.32 C ATOM 745 OE1 GLU A 47 6.988 -18.652 -18.561 1.00 34.14 O ATOM 746 OE2 GLU A 47 5.343 -17.521 -19.481 1.00 63.33 O ATOM 0 H GLU A 47 6.151 -13.596 -17.710 1.00 43.33 H new ATOM 0 HA GLU A 47 5.206 -16.188 -17.337 1.00 71.31 H new ATOM 0 HB2 GLU A 47 7.870 -14.822 -17.434 1.00 32.41 H new ATOM 0 HB3 GLU A 47 7.837 -16.453 -16.793 1.00 32.41 H new ATOM 0 HG2 GLU A 47 6.885 -15.562 -19.534 1.00 55.42 H new ATOM 0 HG3 GLU A 47 8.318 -16.506 -19.177 1.00 55.42 H new ATOM 753 N LYS A 48 6.841 -15.114 -14.664 1.00 35.44 N ATOM 754 CA LYS A 48 6.951 -15.269 -13.218 1.00 35.21 C ATOM 755 C LYS A 48 5.683 -14.785 -12.521 1.00 2.21 C ATOM 756 O LYS A 48 4.831 -14.146 -13.138 1.00 2.14 O ATOM 757 CB LYS A 48 8.162 -14.496 -12.692 1.00 52.42 C ATOM 758 CG LYS A 48 9.480 -15.225 -12.886 1.00 0.11 C ATOM 759 CD LYS A 48 9.871 -15.290 -14.353 1.00 32.52 C ATOM 760 CE LYS A 48 11.378 -15.408 -14.524 1.00 14.35 C ATOM 761 NZ LYS A 48 11.936 -16.551 -13.750 1.00 61.44 N ATOM 0 H LYS A 48 7.528 -14.481 -15.073 1.00 35.44 H new ATOM 0 HA LYS A 48 7.082 -16.329 -13.000 1.00 35.21 H new ATOM 0 HB2 LYS A 48 8.213 -13.531 -13.196 1.00 52.42 H new ATOM 0 HB3 LYS A 48 8.021 -14.295 -11.630 1.00 52.42 H new ATOM 0 HG2 LYS A 48 10.263 -14.719 -12.322 1.00 0.11 H new ATOM 0 HG3 LYS A 48 9.400 -16.235 -12.485 1.00 0.11 H new ATOM 0 HD2 LYS A 48 9.383 -16.143 -14.823 1.00 32.52 H new ATOM 0 HD3 LYS A 48 9.515 -14.396 -14.866 1.00 32.52 H new ATOM 0 HE2 LYS A 48 11.615 -15.535 -15.580 1.00 14.35 H new ATOM 0 HE3 LYS A 48 11.854 -14.483 -14.199 1.00 14.35 H new ATOM 0 HZ1 LYS A 48 12.918 -16.725 -14.046 1.00 61.44 H new ATOM 0 HZ2 LYS A 48 11.915 -16.326 -12.735 1.00 61.44 H new ATOM 0 HZ3 LYS A 48 11.365 -17.402 -13.927 1.00 61.44 H new ATOM 775 N GLN A 49 5.567 -15.092 -11.233 1.00 22.00 N ATOM 776 CA GLN A 49 4.404 -14.687 -10.453 1.00 52.42 C ATOM 777 C GLN A 49 4.777 -13.613 -9.436 1.00 63.22 C ATOM 778 O GLN A 49 5.806 -13.708 -8.766 1.00 21.11 O ATOM 779 CB GLN A 49 3.797 -15.895 -9.738 1.00 11.34 C ATOM 780 CG GLN A 49 2.758 -16.634 -10.566 1.00 3.12 C ATOM 781 CD GLN A 49 3.375 -17.434 -11.696 1.00 30.20 C ATOM 782 OE1 GLN A 49 3.298 -17.045 -12.862 1.00 21.13 O ATOM 783 NE2 GLN A 49 3.992 -18.560 -11.357 1.00 31.15 N ATOM 0 H GLN A 49 6.264 -15.620 -10.708 1.00 22.00 H new ATOM 0 HA GLN A 49 3.666 -14.271 -11.138 1.00 52.42 H new ATOM 0 HB2 GLN A 49 4.595 -16.587 -9.470 1.00 11.34 H new ATOM 0 HB3 GLN A 49 3.338 -15.563 -8.807 1.00 11.34 H new ATOM 0 HG2 GLN A 49 2.192 -17.304 -9.918 1.00 3.12 H new ATOM 0 HG3 GLN A 49 2.050 -15.916 -10.979 1.00 3.12 H new ATOM 0 HE21 GLN A 49 4.032 -18.845 -10.378 1.00 31.15 H new ATOM 0 HE22 GLN A 49 4.426 -19.140 -12.075 1.00 31.15 H new ATOM 792 N THR A 50 3.935 -12.591 -9.326 1.00 12.41 N ATOM 793 CA THR A 50 4.177 -11.498 -8.392 1.00 71.11 C ATOM 794 C THR A 50 2.911 -11.143 -7.621 1.00 32.21 C ATOM 795 O THR A 50 1.920 -10.700 -8.204 1.00 3.03 O ATOM 796 CB THR A 50 4.691 -10.241 -9.119 1.00 71.21 C ATOM 797 OG1 THR A 50 5.527 -10.619 -10.219 1.00 1.45 O ATOM 798 CG2 THR A 50 5.470 -9.346 -8.167 1.00 54.21 C ATOM 0 H THR A 50 3.079 -12.497 -9.872 1.00 12.41 H new ATOM 0 HA THR A 50 4.940 -11.842 -7.694 1.00 71.11 H new ATOM 0 HB THR A 50 3.830 -9.686 -9.492 1.00 71.21 H new ATOM 0 HG1 THR A 50 5.848 -9.815 -10.677 1.00 1.45 H new ATOM 0 HG21 THR A 50 5.823 -8.465 -8.703 1.00 54.21 H new ATOM 0 HG22 THR A 50 4.822 -9.037 -7.347 1.00 54.21 H new ATOM 0 HG23 THR A 50 6.324 -9.894 -7.768 1.00 54.21 H new ATOM 806 N LEU A 51 2.949 -11.340 -6.308 1.00 1.23 N ATOM 807 CA LEU A 51 1.804 -11.039 -5.455 1.00 72.44 C ATOM 808 C LEU A 51 2.162 -9.984 -4.414 1.00 52.55 C ATOM 809 O LEU A 51 3.219 -10.050 -3.788 1.00 34.24 O ATOM 810 CB LEU A 51 1.313 -12.311 -4.761 1.00 15.31 C ATOM 811 CG LEU A 51 0.082 -12.154 -3.866 1.00 64.23 C ATOM 812 CD1 LEU A 51 -1.115 -11.690 -4.681 1.00 62.43 C ATOM 813 CD2 LEU A 51 -0.229 -13.463 -3.154 1.00 53.54 C ATOM 0 H LEU A 51 3.760 -11.707 -5.810 1.00 1.23 H new ATOM 0 HA LEU A 51 1.007 -10.644 -6.085 1.00 72.44 H new ATOM 0 HB2 LEU A 51 1.089 -13.055 -5.526 1.00 15.31 H new ATOM 0 HB3 LEU A 51 2.128 -12.710 -4.157 1.00 15.31 H new ATOM 0 HG LEU A 51 0.298 -11.396 -3.113 1.00 64.23 H new ATOM 0 HD11 LEU A 51 -1.981 -11.584 -4.028 1.00 62.43 H new ATOM 0 HD12 LEU A 51 -0.890 -10.729 -5.144 1.00 62.43 H new ATOM 0 HD13 LEU A 51 -1.334 -12.424 -5.457 1.00 62.43 H new ATOM 0 HD21 LEU A 51 -1.107 -13.333 -2.522 1.00 53.54 H new ATOM 0 HD22 LEU A 51 -0.425 -14.241 -3.892 1.00 53.54 H new ATOM 0 HD23 LEU A 51 0.622 -13.753 -2.538 1.00 53.54 H new ATOM 825 N GLU A 52 1.273 -9.011 -4.235 1.00 70.41 N ATOM 826 CA GLU A 52 1.496 -7.942 -3.269 1.00 33.54 C ATOM 827 C GLU A 52 1.819 -8.513 -1.891 1.00 22.31 C ATOM 828 O GLU A 52 2.521 -7.887 -1.098 1.00 43.21 O ATOM 829 CB GLU A 52 0.264 -7.038 -3.182 1.00 23.41 C ATOM 830 CG GLU A 52 -0.997 -7.768 -2.752 1.00 13.01 C ATOM 831 CD GLU A 52 -2.252 -6.947 -2.980 1.00 30.45 C ATOM 832 OE1 GLU A 52 -2.391 -5.885 -2.339 1.00 0.30 O ATOM 833 OE2 GLU A 52 -3.095 -7.369 -3.799 1.00 50.31 O ATOM 0 H GLU A 52 0.393 -8.942 -4.746 1.00 70.41 H new ATOM 0 HA GLU A 52 2.348 -7.352 -3.608 1.00 33.54 H new ATOM 0 HB2 GLU A 52 0.465 -6.231 -2.477 1.00 23.41 H new ATOM 0 HB3 GLU A 52 0.093 -6.577 -4.155 1.00 23.41 H new ATOM 0 HG2 GLU A 52 -1.075 -8.705 -3.303 1.00 13.01 H new ATOM 0 HG3 GLU A 52 -0.922 -8.024 -1.695 1.00 13.01 H new TER 840 GLU A 52