USER MOD reduce.3.24.130724 H: found=0, std=0, add=266, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 266 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 SER N :NH3+ -156:sc= 0.185 (180deg=0.0236) USER MOD Single : A 1 SER OG : rot 180:sc= 0.244 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.0142) USER MOD Single : A 28 MET CE :methyl -142:sc= -0.324 (180deg=-3.34!) USER MOD Single : A 30 GLN : amide:sc= -0.318 K(o=-0.32,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -25.660 -2.925 0.121 1.00 10.00 N ATOM 2 CA SER A 1 -25.441 -2.623 -1.326 1.00 10.00 C ATOM 3 C SER A 1 -23.959 -2.320 -1.592 1.00 10.00 C ATOM 4 O SER A 1 -23.294 -3.039 -2.312 1.00 10.00 O ATOM 5 CB SER A 1 -26.308 -1.392 -1.621 1.00 10.00 C ATOM 6 OG SER A 1 -26.065 -0.393 -0.636 1.00 10.00 O ATOM 0 H1 SER A 1 -26.518 -3.503 0.229 1.00 10.00 H new ATOM 0 H2 SER A 1 -24.841 -3.447 0.495 1.00 10.00 H new ATOM 0 H3 SER A 1 -25.773 -2.036 0.648 1.00 10.00 H new ATOM 0 HA SER A 1 -25.709 -3.466 -1.963 1.00 10.00 H new ATOM 0 HB2 SER A 1 -26.080 -1.003 -2.613 1.00 10.00 H new ATOM 0 HB3 SER A 1 -27.362 -1.668 -1.622 1.00 10.00 H new ATOM 0 HG SER A 1 -26.617 0.394 -0.825 1.00 10.00 H new ATOM 14 N GLY A 2 -23.442 -1.261 -1.016 1.00 10.00 N ATOM 15 CA GLY A 2 -22.007 -0.907 -1.233 1.00 10.00 C ATOM 16 C GLY A 2 -21.876 0.606 -1.438 1.00 10.00 C ATOM 17 O GLY A 2 -22.818 1.272 -1.826 1.00 10.00 O ATOM 0 H GLY A 2 -23.955 -0.626 -0.404 1.00 10.00 H new ATOM 0 HA2 GLY A 2 -21.411 -1.221 -0.376 1.00 10.00 H new ATOM 0 HA3 GLY A 2 -21.619 -1.437 -2.103 1.00 10.00 H new ATOM 21 N SER A 3 -20.714 1.151 -1.179 1.00 10.00 N ATOM 22 CA SER A 3 -20.514 2.623 -1.356 1.00 10.00 C ATOM 23 C SER A 3 -19.106 2.913 -1.890 1.00 10.00 C ATOM 24 O SER A 3 -18.247 2.050 -1.904 1.00 10.00 O ATOM 25 CB SER A 3 -20.691 3.217 0.043 1.00 10.00 C ATOM 26 OG SER A 3 -19.629 2.777 0.884 1.00 10.00 O ATOM 0 H SER A 3 -19.894 0.640 -0.852 1.00 10.00 H new ATOM 0 HA SER A 3 -21.215 3.049 -2.073 1.00 10.00 H new ATOM 0 HB2 SER A 3 -20.699 4.306 -0.011 1.00 10.00 H new ATOM 0 HB3 SER A 3 -21.650 2.911 0.461 1.00 10.00 H new ATOM 0 HG SER A 3 -19.741 3.159 1.780 1.00 10.00 H new ATOM 32 N TRP A 4 -18.863 4.130 -2.319 1.00 10.00 N ATOM 33 CA TRP A 4 -17.510 4.495 -2.846 1.00 10.00 C ATOM 34 C TRP A 4 -16.432 4.233 -1.786 1.00 10.00 C ATOM 35 O TRP A 4 -15.311 3.885 -2.105 1.00 10.00 O ATOM 36 CB TRP A 4 -17.598 5.991 -3.168 1.00 10.00 C ATOM 37 CG TRP A 4 -17.645 6.184 -4.651 1.00 10.00 C ATOM 38 CD1 TRP A 4 -18.729 6.602 -5.344 1.00 10.00 C ATOM 39 CD2 TRP A 4 -16.588 5.972 -5.632 1.00 10.00 C ATOM 40 NE1 TRP A 4 -18.405 6.661 -6.688 1.00 10.00 N ATOM 41 CE2 TRP A 4 -17.097 6.283 -6.915 1.00 10.00 C ATOM 42 CE3 TRP A 4 -15.252 5.546 -5.533 1.00 10.00 C ATOM 43 CZ2 TRP A 4 -16.307 6.175 -8.060 1.00 10.00 C ATOM 44 CZ3 TRP A 4 -14.454 5.435 -6.684 1.00 10.00 C ATOM 45 CH2 TRP A 4 -14.980 5.749 -7.945 1.00 10.00 C ATOM 0 H TRP A 4 -19.546 4.887 -2.326 1.00 10.00 H new ATOM 0 HA TRP A 4 -17.238 3.905 -3.721 1.00 10.00 H new ATOM 0 HB2 TRP A 4 -18.487 6.421 -2.707 1.00 10.00 H new ATOM 0 HB3 TRP A 4 -16.738 6.514 -2.750 1.00 10.00 H new ATOM 0 HD1 TRP A 4 -19.690 6.849 -4.918 1.00 10.00 H new ATOM 0 HE1 TRP A 4 -19.053 6.949 -7.421 1.00 10.00 H new ATOM 0 HE3 TRP A 4 -14.837 5.303 -4.566 1.00 10.00 H new ATOM 0 HZ2 TRP A 4 -16.718 6.419 -9.029 1.00 10.00 H new ATOM 0 HZ3 TRP A 4 -13.429 5.106 -6.597 1.00 10.00 H new ATOM 0 HH2 TRP A 4 -14.361 5.662 -8.826 1.00 10.00 H new ATOM 56 N LEU A 5 -16.766 4.386 -0.524 1.00 10.00 N ATOM 57 CA LEU A 5 -15.764 4.132 0.558 1.00 10.00 C ATOM 58 C LEU A 5 -15.294 2.672 0.500 1.00 10.00 C ATOM 59 O LEU A 5 -14.116 2.388 0.613 1.00 10.00 O ATOM 60 CB LEU A 5 -16.502 4.411 1.873 1.00 10.00 C ATOM 61 CG LEU A 5 -15.609 5.250 2.793 1.00 10.00 C ATOM 62 CD1 LEU A 5 -16.476 5.992 3.812 1.00 10.00 C ATOM 63 CD2 LEU A 5 -14.630 4.332 3.530 1.00 10.00 C ATOM 0 H LEU A 5 -17.689 4.675 -0.199 1.00 10.00 H new ATOM 0 HA LEU A 5 -14.879 4.760 0.457 1.00 10.00 H new ATOM 0 HB2 LEU A 5 -17.435 4.939 1.674 1.00 10.00 H new ATOM 0 HB3 LEU A 5 -16.765 3.472 2.361 1.00 10.00 H new ATOM 0 HG LEU A 5 -15.052 5.973 2.196 1.00 10.00 H new ATOM 0 HD11 LEU A 5 -15.839 6.588 4.466 1.00 10.00 H new ATOM 0 HD12 LEU A 5 -17.173 6.646 3.289 1.00 10.00 H new ATOM 0 HD13 LEU A 5 -17.034 5.271 4.409 1.00 10.00 H new ATOM 0 HD21 LEU A 5 -13.994 4.928 4.185 1.00 10.00 H new ATOM 0 HD22 LEU A 5 -15.187 3.609 4.126 1.00 10.00 H new ATOM 0 HD23 LEU A 5 -14.010 3.804 2.805 1.00 10.00 H new ATOM 75 N ARG A 6 -16.208 1.748 0.308 1.00 10.00 N ATOM 76 CA ARG A 6 -15.816 0.306 0.224 1.00 10.00 C ATOM 77 C ARG A 6 -14.903 0.075 -0.991 1.00 10.00 C ATOM 78 O ARG A 6 -14.083 -0.824 -0.996 1.00 10.00 O ATOM 79 CB ARG A 6 -17.130 -0.464 0.064 1.00 10.00 C ATOM 80 CG ARG A 6 -16.957 -1.885 0.604 1.00 10.00 C ATOM 81 CD ARG A 6 -17.581 -2.887 -0.372 1.00 10.00 C ATOM 82 NE ARG A 6 -16.639 -4.043 -0.394 1.00 10.00 N ATOM 83 CZ ARG A 6 -16.259 -4.554 -1.533 1.00 10.00 C ATOM 84 NH1 ARG A 6 -17.019 -5.427 -2.141 1.00 10.00 N ATOM 85 NH2 ARG A 6 -15.124 -4.185 -2.067 1.00 10.00 N ATOM 0 H ARG A 6 -17.206 1.931 0.206 1.00 10.00 H new ATOM 0 HA ARG A 6 -15.263 -0.020 1.105 1.00 10.00 H new ATOM 0 HB2 ARG A 6 -17.930 0.046 0.601 1.00 10.00 H new ATOM 0 HB3 ARG A 6 -17.420 -0.495 -0.986 1.00 10.00 H new ATOM 0 HG2 ARG A 6 -15.898 -2.106 0.740 1.00 10.00 H new ATOM 0 HG3 ARG A 6 -17.430 -1.973 1.582 1.00 10.00 H new ATOM 0 HD2 ARG A 6 -18.574 -3.193 -0.042 1.00 10.00 H new ATOM 0 HD3 ARG A 6 -17.695 -2.452 -1.365 1.00 10.00 H new ATOM 0 HE ARG A 6 -16.292 -4.434 0.482 1.00 10.00 H new ATOM 0 HH11 ARG A 6 -17.907 -5.707 -1.725 1.00 10.00 H new ATOM 0 HH12 ARG A 6 -16.724 -5.828 -3.031 1.00 10.00 H new ATOM 0 HH21 ARG A 6 -14.537 -3.499 -1.593 1.00 10.00 H new ATOM 0 HH22 ARG A 6 -14.826 -4.584 -2.957 1.00 10.00 H new ATOM 99 N ASP A 7 -15.032 0.890 -2.013 1.00 10.00 N ATOM 100 CA ASP A 7 -14.163 0.733 -3.219 1.00 10.00 C ATOM 101 C ASP A 7 -12.746 1.224 -2.902 1.00 10.00 C ATOM 102 O ASP A 7 -11.768 0.617 -3.294 1.00 10.00 O ATOM 103 CB ASP A 7 -14.809 1.612 -4.297 1.00 10.00 C ATOM 104 CG ASP A 7 -13.974 1.552 -5.579 1.00 10.00 C ATOM 105 OD1 ASP A 7 -13.997 0.521 -6.230 1.00 10.00 O ATOM 106 OD2 ASP A 7 -13.323 2.538 -5.886 1.00 10.00 O ATOM 0 H ASP A 7 -15.703 1.657 -2.061 1.00 10.00 H new ATOM 0 HA ASP A 7 -14.082 -0.305 -3.542 1.00 10.00 H new ATOM 0 HB2 ASP A 7 -15.825 1.272 -4.497 1.00 10.00 H new ATOM 0 HB3 ASP A 7 -14.881 2.641 -3.946 1.00 10.00 H new ATOM 111 N ILE A 8 -12.634 2.315 -2.186 1.00 10.00 N ATOM 112 CA ILE A 8 -11.284 2.852 -1.828 1.00 10.00 C ATOM 113 C ILE A 8 -10.626 1.967 -0.757 1.00 10.00 C ATOM 114 O ILE A 8 -9.415 1.871 -0.691 1.00 10.00 O ATOM 115 CB ILE A 8 -11.542 4.263 -1.280 1.00 10.00 C ATOM 116 CG1 ILE A 8 -12.173 5.134 -2.374 1.00 10.00 C ATOM 117 CG2 ILE A 8 -10.219 4.896 -0.833 1.00 10.00 C ATOM 118 CD1 ILE A 8 -13.135 6.140 -1.739 1.00 10.00 C ATOM 0 H ILE A 8 -13.421 2.859 -1.833 1.00 10.00 H new ATOM 0 HA ILE A 8 -10.609 2.868 -2.684 1.00 10.00 H new ATOM 0 HB ILE A 8 -12.220 4.196 -0.429 1.00 10.00 H new ATOM 0 HG12 ILE A 8 -11.395 5.659 -2.928 1.00 10.00 H new ATOM 0 HG13 ILE A 8 -12.706 4.508 -3.089 1.00 10.00 H new ATOM 0 HG21 ILE A 8 -10.407 5.897 -0.445 1.00 10.00 H new ATOM 0 HG22 ILE A 8 -9.768 4.283 -0.053 1.00 10.00 H new ATOM 0 HG23 ILE A 8 -9.540 4.958 -1.683 1.00 10.00 H new ATOM 0 HD11 ILE A 8 -13.582 6.758 -2.518 1.00 10.00 H new ATOM 0 HD12 ILE A 8 -13.920 5.605 -1.205 1.00 10.00 H new ATOM 0 HD13 ILE A 8 -12.589 6.775 -1.041 1.00 10.00 H new ATOM 130 N TRP A 9 -11.411 1.321 0.077 1.00 10.00 N ATOM 131 CA TRP A 9 -10.827 0.442 1.144 1.00 10.00 C ATOM 132 C TRP A 9 -9.888 -0.605 0.530 1.00 10.00 C ATOM 133 O TRP A 9 -8.786 -0.811 1.007 1.00 10.00 O ATOM 134 CB TRP A 9 -12.026 -0.234 1.816 1.00 10.00 C ATOM 135 CG TRP A 9 -12.303 0.432 3.126 1.00 10.00 C ATOM 136 CD1 TRP A 9 -13.454 1.065 3.448 1.00 10.00 C ATOM 137 CD2 TRP A 9 -11.433 0.546 4.291 1.00 10.00 C ATOM 138 NE1 TRP A 9 -13.347 1.559 4.736 1.00 10.00 N ATOM 139 CE2 TRP A 9 -12.120 1.264 5.297 1.00 10.00 C ATOM 140 CE3 TRP A 9 -10.129 0.099 4.568 1.00 10.00 C ATOM 141 CZ2 TRP A 9 -11.535 1.530 6.535 1.00 10.00 C ATOM 142 CZ3 TRP A 9 -9.536 0.364 5.814 1.00 10.00 C ATOM 143 CH2 TRP A 9 -10.238 1.078 6.795 1.00 10.00 C ATOM 0 H TRP A 9 -12.430 1.365 0.065 1.00 10.00 H new ATOM 0 HA TRP A 9 -10.233 1.013 1.858 1.00 10.00 H new ATOM 0 HB2 TRP A 9 -12.902 -0.170 1.171 1.00 10.00 H new ATOM 0 HB3 TRP A 9 -11.821 -1.293 1.970 1.00 10.00 H new ATOM 0 HD1 TRP A 9 -14.316 1.168 2.805 1.00 10.00 H new ATOM 0 HE1 TRP A 9 -14.084 2.078 5.213 1.00 10.00 H new ATOM 0 HE3 TRP A 9 -9.580 -0.451 3.818 1.00 10.00 H new ATOM 0 HZ2 TRP A 9 -12.080 2.081 7.287 1.00 10.00 H new ATOM 0 HZ3 TRP A 9 -8.534 0.016 6.017 1.00 10.00 H new ATOM 0 HH2 TRP A 9 -9.777 1.279 7.751 1.00 10.00 H new ATOM 154 N ASP A 10 -10.304 -1.257 -0.532 1.00 10.00 N ATOM 155 CA ASP A 10 -9.417 -2.274 -1.177 1.00 10.00 C ATOM 156 C ASP A 10 -8.148 -1.587 -1.696 1.00 10.00 C ATOM 157 O ASP A 10 -7.050 -2.083 -1.524 1.00 10.00 O ATOM 158 CB ASP A 10 -10.233 -2.859 -2.336 1.00 10.00 C ATOM 159 CG ASP A 10 -9.330 -3.732 -3.215 1.00 10.00 C ATOM 160 OD1 ASP A 10 -8.765 -4.683 -2.696 1.00 10.00 O ATOM 161 OD2 ASP A 10 -9.221 -3.435 -4.394 1.00 10.00 O ATOM 0 H ASP A 10 -11.213 -1.129 -0.976 1.00 10.00 H new ATOM 0 HA ASP A 10 -9.106 -3.055 -0.483 1.00 10.00 H new ATOM 0 HB2 ASP A 10 -11.061 -3.452 -1.948 1.00 10.00 H new ATOM 0 HB3 ASP A 10 -10.667 -2.055 -2.930 1.00 10.00 H new ATOM 166 N TRP A 11 -8.295 -0.440 -2.316 1.00 10.00 N ATOM 167 CA TRP A 11 -7.101 0.301 -2.833 1.00 10.00 C ATOM 168 C TRP A 11 -6.149 0.626 -1.675 1.00 10.00 C ATOM 169 O TRP A 11 -4.944 0.503 -1.801 1.00 10.00 O ATOM 170 CB TRP A 11 -7.670 1.584 -3.453 1.00 10.00 C ATOM 171 CG TRP A 11 -6.556 2.443 -3.965 1.00 10.00 C ATOM 172 CD1 TRP A 11 -6.029 2.373 -5.208 1.00 10.00 C ATOM 173 CD2 TRP A 11 -5.830 3.497 -3.270 1.00 10.00 C ATOM 174 NE1 TRP A 11 -5.025 3.318 -5.322 1.00 10.00 N ATOM 175 CE2 TRP A 11 -4.865 4.036 -4.152 1.00 10.00 C ATOM 176 CE3 TRP A 11 -5.915 4.034 -1.973 1.00 10.00 C ATOM 177 CZ2 TRP A 11 -4.012 5.070 -3.761 1.00 10.00 C ATOM 178 CZ3 TRP A 11 -5.060 5.074 -1.575 1.00 10.00 C ATOM 179 CH2 TRP A 11 -4.111 5.591 -2.468 1.00 10.00 C ATOM 0 H TRP A 11 -9.192 0.015 -2.486 1.00 10.00 H new ATOM 0 HA TRP A 11 -6.529 -0.276 -3.560 1.00 10.00 H new ATOM 0 HB2 TRP A 11 -8.351 1.334 -4.267 1.00 10.00 H new ATOM 0 HB3 TRP A 11 -8.250 2.131 -2.709 1.00 10.00 H new ATOM 0 HD1 TRP A 11 -6.341 1.691 -5.985 1.00 10.00 H new ATOM 0 HE1 TRP A 11 -4.471 3.466 -6.166 1.00 10.00 H new ATOM 0 HE3 TRP A 11 -6.643 3.643 -1.278 1.00 10.00 H new ATOM 0 HZ2 TRP A 11 -3.282 5.464 -4.452 1.00 10.00 H new ATOM 0 HZ3 TRP A 11 -5.134 5.478 -0.576 1.00 10.00 H new ATOM 0 HH2 TRP A 11 -3.457 6.392 -2.157 1.00 10.00 H new ATOM 190 N ILE A 12 -6.682 1.023 -0.542 1.00 10.00 N ATOM 191 CA ILE A 12 -5.811 1.335 0.635 1.00 10.00 C ATOM 192 C ILE A 12 -5.024 0.077 1.036 1.00 10.00 C ATOM 193 O ILE A 12 -3.867 0.151 1.409 1.00 10.00 O ATOM 194 CB ILE A 12 -6.775 1.763 1.753 1.00 10.00 C ATOM 195 CG1 ILE A 12 -7.412 3.111 1.393 1.00 10.00 C ATOM 196 CG2 ILE A 12 -6.013 1.905 3.075 1.00 10.00 C ATOM 197 CD1 ILE A 12 -8.743 3.264 2.132 1.00 10.00 C ATOM 0 H ILE A 12 -7.682 1.144 -0.383 1.00 10.00 H new ATOM 0 HA ILE A 12 -5.082 2.118 0.424 1.00 10.00 H new ATOM 0 HB ILE A 12 -7.551 1.005 1.862 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -6.740 3.926 1.662 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -7.573 3.173 0.317 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -6.703 2.209 3.862 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -5.560 0.949 3.338 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -5.233 2.658 2.966 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -9.194 4.222 1.875 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -9.415 2.457 1.841 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -8.569 3.222 3.207 1.00 10.00 H new ATOM 209 N CYS A 13 -5.643 -1.076 0.941 1.00 10.00 N ATOM 210 CA CYS A 13 -4.936 -2.345 1.293 1.00 10.00 C ATOM 211 C CYS A 13 -3.833 -2.628 0.263 1.00 10.00 C ATOM 212 O CYS A 13 -2.750 -3.062 0.608 1.00 10.00 O ATOM 213 CB CYS A 13 -6.013 -3.432 1.244 1.00 10.00 C ATOM 214 SG CYS A 13 -5.372 -4.953 1.986 1.00 10.00 S ATOM 0 H CYS A 13 -6.609 -1.191 0.634 1.00 10.00 H new ATOM 0 HA CYS A 13 -4.458 -2.298 2.272 1.00 10.00 H new ATOM 0 HB2 CYS A 13 -6.903 -3.101 1.779 1.00 10.00 H new ATOM 0 HB3 CYS A 13 -6.312 -3.616 0.212 1.00 10.00 H new ATOM 0 HG CYS A 13 -6.288 -5.875 1.946 1.00 10.00 H new ATOM 220 N GLU A 14 -4.102 -2.374 -0.998 1.00 10.00 N ATOM 221 CA GLU A 14 -3.073 -2.614 -2.055 1.00 10.00 C ATOM 222 C GLU A 14 -1.866 -1.698 -1.828 1.00 10.00 C ATOM 223 O GLU A 14 -0.729 -2.107 -1.971 1.00 10.00 O ATOM 224 CB GLU A 14 -3.768 -2.281 -3.379 1.00 10.00 C ATOM 225 CG GLU A 14 -3.951 -3.561 -4.200 1.00 10.00 C ATOM 226 CD GLU A 14 -5.254 -4.255 -3.790 1.00 10.00 C ATOM 227 OE1 GLU A 14 -5.301 -4.785 -2.691 1.00 10.00 O ATOM 228 OE2 GLU A 14 -6.181 -4.245 -4.584 1.00 10.00 O ATOM 0 H GLU A 14 -4.992 -2.010 -1.338 1.00 10.00 H new ATOM 0 HA GLU A 14 -2.701 -3.638 -2.046 1.00 10.00 H new ATOM 0 HB2 GLU A 14 -4.736 -1.819 -3.187 1.00 10.00 H new ATOM 0 HB3 GLU A 14 -3.176 -1.558 -3.940 1.00 10.00 H new ATOM 0 HG2 GLU A 14 -3.974 -3.322 -5.263 1.00 10.00 H new ATOM 0 HG3 GLU A 14 -3.106 -4.230 -4.041 1.00 10.00 H new ATOM 235 N VAL A 15 -2.112 -0.467 -1.460 1.00 10.00 N ATOM 236 CA VAL A 15 -0.986 0.487 -1.203 1.00 10.00 C ATOM 237 C VAL A 15 -0.156 -0.010 -0.014 1.00 10.00 C ATOM 238 O VAL A 15 1.058 0.074 -0.019 1.00 10.00 O ATOM 239 CB VAL A 15 -1.649 1.835 -0.884 1.00 10.00 C ATOM 240 CG1 VAL A 15 -0.577 2.857 -0.494 1.00 10.00 C ATOM 241 CG2 VAL A 15 -2.406 2.342 -2.117 1.00 10.00 C ATOM 0 H VAL A 15 -3.045 -0.078 -1.326 1.00 10.00 H new ATOM 0 HA VAL A 15 -0.312 0.574 -2.055 1.00 10.00 H new ATOM 0 HB VAL A 15 -2.346 1.704 -0.056 1.00 10.00 H new ATOM 0 HG11 VAL A 15 -1.050 3.813 -0.268 1.00 10.00 H new ATOM 0 HG12 VAL A 15 -0.039 2.502 0.385 1.00 10.00 H new ATOM 0 HG13 VAL A 15 0.122 2.985 -1.321 1.00 10.00 H new ATOM 0 HG21 VAL A 15 -2.875 3.299 -1.888 1.00 10.00 H new ATOM 0 HG22 VAL A 15 -1.709 2.469 -2.945 1.00 10.00 H new ATOM 0 HG23 VAL A 15 -3.173 1.619 -2.396 1.00 10.00 H new ATOM 251 N LEU A 16 -0.804 -0.546 0.998 1.00 10.00 N ATOM 252 CA LEU A 16 -0.056 -1.073 2.182 1.00 10.00 C ATOM 253 C LEU A 16 0.864 -2.217 1.736 1.00 10.00 C ATOM 254 O LEU A 16 1.993 -2.325 2.179 1.00 10.00 O ATOM 255 CB LEU A 16 -1.133 -1.584 3.146 1.00 10.00 C ATOM 256 CG LEU A 16 -0.505 -1.887 4.511 1.00 10.00 C ATOM 257 CD1 LEU A 16 -1.375 -1.293 5.622 1.00 10.00 C ATOM 258 CD2 LEU A 16 -0.406 -3.404 4.702 1.00 10.00 C ATOM 0 H LEU A 16 -1.818 -0.640 1.052 1.00 10.00 H new ATOM 0 HA LEU A 16 0.571 -0.317 2.654 1.00 10.00 H new ATOM 0 HB2 LEU A 16 -1.920 -0.838 3.255 1.00 10.00 H new ATOM 0 HB3 LEU A 16 -1.599 -2.483 2.742 1.00 10.00 H new ATOM 0 HG LEU A 16 0.491 -1.446 4.555 1.00 10.00 H new ATOM 0 HD11 LEU A 16 -0.926 -1.510 6.591 1.00 10.00 H new ATOM 0 HD12 LEU A 16 -1.448 -0.214 5.489 1.00 10.00 H new ATOM 0 HD13 LEU A 16 -2.372 -1.732 5.578 1.00 10.00 H new ATOM 0 HD21 LEU A 16 0.041 -3.620 5.673 1.00 10.00 H new ATOM 0 HD22 LEU A 16 -1.403 -3.842 4.655 1.00 10.00 H new ATOM 0 HD23 LEU A 16 0.215 -3.830 3.914 1.00 10.00 H new ATOM 270 N SER A 17 0.393 -3.057 0.841 1.00 10.00 N ATOM 271 CA SER A 17 1.238 -4.183 0.337 1.00 10.00 C ATOM 272 C SER A 17 2.467 -3.612 -0.380 1.00 10.00 C ATOM 273 O SER A 17 3.578 -4.072 -0.188 1.00 10.00 O ATOM 274 CB SER A 17 0.346 -4.949 -0.643 1.00 10.00 C ATOM 275 OG SER A 17 0.973 -6.176 -0.996 1.00 10.00 O ATOM 0 H SER A 17 -0.543 -3.008 0.439 1.00 10.00 H new ATOM 0 HA SER A 17 1.597 -4.831 1.136 1.00 10.00 H new ATOM 0 HB2 SER A 17 -0.627 -5.142 -0.191 1.00 10.00 H new ATOM 0 HB3 SER A 17 0.169 -4.349 -1.536 1.00 10.00 H new ATOM 0 HG SER A 17 0.401 -6.667 -1.622 1.00 10.00 H new ATOM 281 N ASP A 18 2.274 -2.595 -1.186 1.00 10.00 N ATOM 282 CA ASP A 18 3.429 -1.972 -1.899 1.00 10.00 C ATOM 283 C ASP A 18 4.293 -1.203 -0.899 1.00 10.00 C ATOM 284 O ASP A 18 5.498 -1.314 -0.913 1.00 10.00 O ATOM 285 CB ASP A 18 2.814 -1.014 -2.928 1.00 10.00 C ATOM 286 CG ASP A 18 3.894 -0.061 -3.456 1.00 10.00 C ATOM 287 OD1 ASP A 18 4.632 -0.463 -4.340 1.00 10.00 O ATOM 288 OD2 ASP A 18 3.970 1.054 -2.963 1.00 10.00 O ATOM 0 H ASP A 18 1.367 -2.171 -1.379 1.00 10.00 H new ATOM 0 HA ASP A 18 4.066 -2.714 -2.381 1.00 10.00 H new ATOM 0 HB2 ASP A 18 2.380 -1.580 -3.752 1.00 10.00 H new ATOM 0 HB3 ASP A 18 2.005 -0.445 -2.471 1.00 10.00 H new ATOM 293 N PHE A 19 3.683 -0.431 -0.028 1.00 10.00 N ATOM 294 CA PHE A 19 4.467 0.345 0.984 1.00 10.00 C ATOM 295 C PHE A 19 5.477 -0.567 1.690 1.00 10.00 C ATOM 296 O PHE A 19 6.574 -0.154 2.014 1.00 10.00 O ATOM 297 CB PHE A 19 3.426 0.865 1.981 1.00 10.00 C ATOM 298 CG PHE A 19 3.386 2.377 1.937 1.00 10.00 C ATOM 299 CD1 PHE A 19 3.056 3.036 0.746 1.00 10.00 C ATOM 300 CD2 PHE A 19 3.677 3.119 3.089 1.00 10.00 C ATOM 301 CE1 PHE A 19 3.018 4.435 0.707 1.00 10.00 C ATOM 302 CE2 PHE A 19 3.639 4.518 3.049 1.00 10.00 C ATOM 303 CZ PHE A 19 3.309 5.176 1.859 1.00 10.00 C ATOM 0 H PHE A 19 2.672 -0.306 0.024 1.00 10.00 H new ATOM 0 HA PHE A 19 5.037 1.155 0.529 1.00 10.00 H new ATOM 0 HB2 PHE A 19 2.444 0.459 1.740 1.00 10.00 H new ATOM 0 HB3 PHE A 19 3.673 0.528 2.988 1.00 10.00 H new ATOM 0 HD1 PHE A 19 2.831 2.465 -0.143 1.00 10.00 H new ATOM 0 HD2 PHE A 19 3.931 2.612 4.008 1.00 10.00 H new ATOM 0 HE1 PHE A 19 2.764 4.943 -0.212 1.00 10.00 H new ATOM 0 HE2 PHE A 19 3.865 5.090 3.937 1.00 10.00 H new ATOM 0 HZ PHE A 19 3.279 6.255 1.829 1.00 10.00 H new ATOM 313 N LYS A 20 5.117 -1.809 1.917 1.00 10.00 N ATOM 314 CA LYS A 20 6.055 -2.760 2.588 1.00 10.00 C ATOM 315 C LYS A 20 7.285 -3.007 1.704 1.00 10.00 C ATOM 316 O LYS A 20 8.410 -2.946 2.168 1.00 10.00 O ATOM 317 CB LYS A 20 5.249 -4.051 2.769 1.00 10.00 C ATOM 318 CG LYS A 20 6.037 -5.032 3.642 1.00 10.00 C ATOM 319 CD LYS A 20 5.733 -4.765 5.119 1.00 10.00 C ATOM 320 CE LYS A 20 4.945 -5.943 5.702 1.00 10.00 C ATOM 321 NZ LYS A 20 5.643 -6.290 6.975 1.00 10.00 N ATOM 0 H LYS A 20 4.211 -2.204 1.665 1.00 10.00 H new ATOM 0 HA LYS A 20 6.424 -2.375 3.539 1.00 10.00 H new ATOM 0 HB2 LYS A 20 4.287 -3.829 3.231 1.00 10.00 H new ATOM 0 HB3 LYS A 20 5.040 -4.500 1.798 1.00 10.00 H new ATOM 0 HG2 LYS A 20 5.771 -6.057 3.385 1.00 10.00 H new ATOM 0 HG3 LYS A 20 7.105 -4.924 3.455 1.00 10.00 H new ATOM 0 HD2 LYS A 20 6.662 -4.626 5.673 1.00 10.00 H new ATOM 0 HD3 LYS A 20 5.159 -3.844 5.222 1.00 10.00 H new ATOM 0 HE2 LYS A 20 3.906 -5.669 5.885 1.00 10.00 H new ATOM 0 HE3 LYS A 20 4.936 -6.789 5.015 1.00 10.00 H new ATOM 0 HZ1 LYS A 20 5.158 -7.090 7.430 1.00 10.00 H new ATOM 0 HZ2 LYS A 20 6.628 -6.554 6.770 1.00 10.00 H new ATOM 0 HZ3 LYS A 20 5.630 -5.469 7.613 1.00 10.00 H new ATOM 335 N THR A 21 7.085 -3.277 0.435 1.00 10.00 N ATOM 336 CA THR A 21 8.253 -3.516 -0.472 1.00 10.00 C ATOM 337 C THR A 21 8.833 -2.176 -0.953 1.00 10.00 C ATOM 338 O THR A 21 10.015 -2.068 -1.214 1.00 10.00 O ATOM 339 CB THR A 21 7.710 -4.357 -1.642 1.00 10.00 C ATOM 340 OG1 THR A 21 8.800 -4.879 -2.395 1.00 10.00 O ATOM 341 CG2 THR A 21 6.817 -3.505 -2.554 1.00 10.00 C ATOM 0 H THR A 21 6.169 -3.342 -0.009 1.00 10.00 H new ATOM 0 HA THR A 21 9.066 -4.039 0.031 1.00 10.00 H new ATOM 0 HB THR A 21 7.113 -5.175 -1.238 1.00 10.00 H new ATOM 0 HG1 THR A 21 8.456 -5.416 -3.139 1.00 10.00 H new ATOM 0 HG21 THR A 21 6.444 -4.119 -3.374 1.00 10.00 H new ATOM 0 HG22 THR A 21 5.976 -3.116 -1.980 1.00 10.00 H new ATOM 0 HG23 THR A 21 7.396 -2.674 -2.957 1.00 10.00 H new ATOM 349 N TRP A 22 8.015 -1.154 -1.050 1.00 10.00 N ATOM 350 CA TRP A 22 8.518 0.186 -1.488 1.00 10.00 C ATOM 351 C TRP A 22 9.570 0.681 -0.494 1.00 10.00 C ATOM 352 O TRP A 22 10.635 1.133 -0.872 1.00 10.00 O ATOM 353 CB TRP A 22 7.287 1.097 -1.458 1.00 10.00 C ATOM 354 CG TRP A 22 7.533 2.308 -2.300 1.00 10.00 C ATOM 355 CD1 TRP A 22 7.156 2.448 -3.591 1.00 10.00 C ATOM 356 CD2 TRP A 22 8.199 3.548 -1.930 1.00 10.00 C ATOM 357 NE1 TRP A 22 7.551 3.695 -4.039 1.00 10.00 N ATOM 358 CE2 TRP A 22 8.199 4.411 -3.051 1.00 10.00 C ATOM 359 CE3 TRP A 22 8.800 4.002 -0.742 1.00 10.00 C ATOM 360 CZ2 TRP A 22 8.774 5.681 -2.995 1.00 10.00 C ATOM 361 CZ3 TRP A 22 9.380 5.280 -0.682 1.00 10.00 C ATOM 362 CH2 TRP A 22 9.367 6.117 -1.807 1.00 10.00 C ATOM 0 H TRP A 22 7.017 -1.192 -0.844 1.00 10.00 H new ATOM 0 HA TRP A 22 8.981 0.162 -2.474 1.00 10.00 H new ATOM 0 HB2 TRP A 22 6.415 0.557 -1.827 1.00 10.00 H new ATOM 0 HB3 TRP A 22 7.068 1.394 -0.432 1.00 10.00 H new ATOM 0 HD1 TRP A 22 6.632 1.707 -4.176 1.00 10.00 H new ATOM 0 HE1 TRP A 22 7.384 4.044 -4.983 1.00 10.00 H new ATOM 0 HE3 TRP A 22 8.816 3.364 0.129 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 8.761 6.323 -3.864 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 9.838 5.620 0.235 1.00 10.00 H new ATOM 0 HH2 TRP A 22 9.815 7.098 -1.755 1.00 10.00 H new ATOM 373 N LEU A 23 9.272 0.583 0.778 1.00 10.00 N ATOM 374 CA LEU A 23 10.243 1.028 1.826 1.00 10.00 C ATOM 375 C LEU A 23 11.511 0.163 1.772 1.00 10.00 C ATOM 376 O LEU A 23 12.615 0.668 1.851 1.00 10.00 O ATOM 377 CB LEU A 23 9.517 0.830 3.162 1.00 10.00 C ATOM 378 CG LEU A 23 8.713 2.089 3.505 1.00 10.00 C ATOM 379 CD1 LEU A 23 7.675 1.757 4.579 1.00 10.00 C ATOM 380 CD2 LEU A 23 9.660 3.172 4.031 1.00 10.00 C ATOM 0 H LEU A 23 8.393 0.212 1.138 1.00 10.00 H new ATOM 0 HA LEU A 23 10.553 2.063 1.684 1.00 10.00 H new ATOM 0 HB2 LEU A 23 8.853 -0.032 3.102 1.00 10.00 H new ATOM 0 HB3 LEU A 23 10.239 0.621 3.952 1.00 10.00 H new ATOM 0 HG LEU A 23 8.207 2.450 2.610 1.00 10.00 H new ATOM 0 HD11 LEU A 23 7.104 2.653 4.822 1.00 10.00 H new ATOM 0 HD12 LEU A 23 7.000 0.986 4.207 1.00 10.00 H new ATOM 0 HD13 LEU A 23 8.181 1.395 5.474 1.00 10.00 H new ATOM 0 HD21 LEU A 23 9.089 4.068 4.275 1.00 10.00 H new ATOM 0 HD22 LEU A 23 10.166 2.809 4.926 1.00 10.00 H new ATOM 0 HD23 LEU A 23 10.400 3.411 3.267 1.00 10.00 H new ATOM 392 N LYS A 24 11.357 -1.134 1.627 1.00 10.00 N ATOM 393 CA LYS A 24 12.552 -2.032 1.557 1.00 10.00 C ATOM 394 C LYS A 24 13.342 -1.761 0.269 1.00 10.00 C ATOM 395 O LYS A 24 14.555 -1.840 0.253 1.00 10.00 O ATOM 396 CB LYS A 24 11.988 -3.458 1.560 1.00 10.00 C ATOM 397 CG LYS A 24 13.103 -4.456 1.901 1.00 10.00 C ATOM 398 CD LYS A 24 13.511 -4.299 3.371 1.00 10.00 C ATOM 399 CE LYS A 24 12.934 -5.456 4.195 1.00 10.00 C ATOM 400 NZ LYS A 24 11.919 -4.831 5.093 1.00 10.00 N ATOM 0 H LYS A 24 10.456 -1.607 1.554 1.00 10.00 H new ATOM 0 HA LYS A 24 13.238 -1.871 2.389 1.00 10.00 H new ATOM 0 HB2 LYS A 24 11.180 -3.538 2.288 1.00 10.00 H new ATOM 0 HB3 LYS A 24 11.563 -3.693 0.584 1.00 10.00 H new ATOM 0 HG2 LYS A 24 12.761 -5.474 1.716 1.00 10.00 H new ATOM 0 HG3 LYS A 24 13.965 -4.287 1.255 1.00 10.00 H new ATOM 0 HD2 LYS A 24 14.598 -4.285 3.457 1.00 10.00 H new ATOM 0 HD3 LYS A 24 13.148 -3.347 3.759 1.00 10.00 H new ATOM 0 HE2 LYS A 24 12.479 -6.209 3.551 1.00 10.00 H new ATOM 0 HE3 LYS A 24 13.713 -5.956 4.770 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 11.482 -5.565 5.687 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 12.381 -4.124 5.700 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 11.185 -4.369 4.519 1.00 10.00 H new ATOM 414 N ALA A 25 12.661 -1.428 -0.805 1.00 10.00 N ATOM 415 CA ALA A 25 13.372 -1.133 -2.089 1.00 10.00 C ATOM 416 C ALA A 25 14.260 0.107 -1.928 1.00 10.00 C ATOM 417 O ALA A 25 15.329 0.190 -2.501 1.00 10.00 O ATOM 418 CB ALA A 25 12.264 -0.871 -3.113 1.00 10.00 C ATOM 0 H ALA A 25 11.645 -1.348 -0.846 1.00 10.00 H new ATOM 0 HA ALA A 25 14.021 -1.953 -2.397 1.00 10.00 H new ATOM 0 HB1 ALA A 25 12.710 -0.647 -4.082 1.00 10.00 H new ATOM 0 HB2 ALA A 25 11.632 -1.755 -3.200 1.00 10.00 H new ATOM 0 HB3 ALA A 25 11.660 -0.024 -2.787 1.00 10.00 H new ATOM 424 N LYS A 26 13.830 1.065 -1.140 1.00 10.00 N ATOM 425 CA LYS A 26 14.652 2.296 -0.923 1.00 10.00 C ATOM 426 C LYS A 26 15.721 2.051 0.160 1.00 10.00 C ATOM 427 O LYS A 26 16.582 2.880 0.385 1.00 10.00 O ATOM 428 CB LYS A 26 13.653 3.362 -0.464 1.00 10.00 C ATOM 429 CG LYS A 26 14.076 4.731 -1.004 1.00 10.00 C ATOM 430 CD LYS A 26 12.931 5.731 -0.818 1.00 10.00 C ATOM 431 CE LYS A 26 13.012 6.356 0.581 1.00 10.00 C ATOM 432 NZ LYS A 26 13.986 7.480 0.454 1.00 10.00 N ATOM 0 H LYS A 26 12.943 1.046 -0.637 1.00 10.00 H new ATOM 0 HA LYS A 26 15.186 2.596 -1.824 1.00 10.00 H new ATOM 0 HB2 LYS A 26 12.653 3.114 -0.818 1.00 10.00 H new ATOM 0 HB3 LYS A 26 13.608 3.388 0.625 1.00 10.00 H new ATOM 0 HG2 LYS A 26 14.966 5.080 -0.481 1.00 10.00 H new ATOM 0 HG3 LYS A 26 14.336 4.653 -2.060 1.00 10.00 H new ATOM 0 HD2 LYS A 26 12.988 6.510 -1.579 1.00 10.00 H new ATOM 0 HD3 LYS A 26 11.972 5.229 -0.948 1.00 10.00 H new ATOM 0 HE2 LYS A 26 12.037 6.716 0.908 1.00 10.00 H new ATOM 0 HE3 LYS A 26 13.347 5.627 1.319 1.00 10.00 H new ATOM 0 HZ1 LYS A 26 14.413 7.676 1.382 1.00 10.00 H new ATOM 0 HZ2 LYS A 26 14.732 7.218 -0.222 1.00 10.00 H new ATOM 0 HZ3 LYS A 26 13.493 8.330 0.113 1.00 10.00 H new ATOM 446 N LEU A 27 15.669 0.918 0.827 1.00 10.00 N ATOM 447 CA LEU A 27 16.676 0.611 1.890 1.00 10.00 C ATOM 448 C LEU A 27 17.934 -0.017 1.260 1.00 10.00 C ATOM 449 O LEU A 27 18.316 0.333 0.159 1.00 10.00 O ATOM 450 CB LEU A 27 15.961 -0.382 2.818 1.00 10.00 C ATOM 451 CG LEU A 27 16.408 -0.159 4.267 1.00 10.00 C ATOM 452 CD1 LEU A 27 15.536 0.920 4.912 1.00 10.00 C ATOM 453 CD2 LEU A 27 16.262 -1.467 5.050 1.00 10.00 C ATOM 0 H LEU A 27 14.968 0.192 0.678 1.00 10.00 H new ATOM 0 HA LEU A 27 17.012 1.497 2.428 1.00 10.00 H new ATOM 0 HB2 LEU A 27 14.881 -0.255 2.738 1.00 10.00 H new ATOM 0 HB3 LEU A 27 16.185 -1.404 2.513 1.00 10.00 H new ATOM 0 HG LEU A 27 17.450 0.161 4.281 1.00 10.00 H new ATOM 0 HD11 LEU A 27 15.855 1.078 5.942 1.00 10.00 H new ATOM 0 HD12 LEU A 27 15.637 1.851 4.354 1.00 10.00 H new ATOM 0 HD13 LEU A 27 14.494 0.601 4.899 1.00 10.00 H new ATOM 0 HD21 LEU A 27 16.579 -1.311 6.081 1.00 10.00 H new ATOM 0 HD22 LEU A 27 15.220 -1.785 5.035 1.00 10.00 H new ATOM 0 HD23 LEU A 27 16.883 -2.237 4.592 1.00 10.00 H new ATOM 465 N MET A 28 18.577 -0.938 1.949 1.00 10.00 N ATOM 466 CA MET A 28 19.810 -1.595 1.402 1.00 10.00 C ATOM 467 C MET A 28 20.906 -0.549 1.131 1.00 10.00 C ATOM 468 O MET A 28 21.083 -0.110 0.009 1.00 10.00 O ATOM 469 CB MET A 28 19.365 -2.282 0.102 1.00 10.00 C ATOM 470 CG MET A 28 20.266 -3.491 -0.174 1.00 10.00 C ATOM 471 SD MET A 28 21.416 -3.094 -1.514 1.00 10.00 S ATOM 472 CE MET A 28 22.892 -2.864 -0.493 1.00 10.00 C ATOM 0 H MET A 28 18.296 -1.263 2.874 1.00 10.00 H new ATOM 0 HA MET A 28 20.237 -2.311 2.105 1.00 10.00 H new ATOM 0 HB2 MET A 28 18.326 -2.601 0.184 1.00 10.00 H new ATOM 0 HB3 MET A 28 19.418 -1.579 -0.729 1.00 10.00 H new ATOM 0 HG2 MET A 28 20.819 -3.759 0.726 1.00 10.00 H new ATOM 0 HG3 MET A 28 19.660 -4.355 -0.445 1.00 10.00 H new ATOM 0 HE1 MET A 28 23.483 -2.038 -0.889 1.00 10.00 H new ATOM 0 HE2 MET A 28 22.594 -2.639 0.531 1.00 10.00 H new ATOM 0 HE3 MET A 28 23.489 -3.776 -0.506 1.00 10.00 H new ATOM 482 N PRO A 29 21.609 -0.185 2.177 1.00 10.00 N ATOM 483 CA PRO A 29 22.700 0.813 2.053 1.00 10.00 C ATOM 484 C PRO A 29 23.940 0.169 1.409 1.00 10.00 C ATOM 485 O PRO A 29 24.089 0.174 0.202 1.00 10.00 O ATOM 486 CB PRO A 29 22.963 1.237 3.498 1.00 10.00 C ATOM 487 CG PRO A 29 22.501 0.090 4.342 1.00 10.00 C ATOM 488 CD PRO A 29 21.454 -0.664 3.559 1.00 10.00 C ATOM 0 HA PRO A 29 22.447 1.661 1.417 1.00 10.00 H new ATOM 0 HB2 PRO A 29 24.021 1.442 3.660 1.00 10.00 H new ATOM 0 HB3 PRO A 29 22.420 2.149 3.744 1.00 10.00 H new ATOM 0 HG2 PRO A 29 23.337 -0.564 4.590 1.00 10.00 H new ATOM 0 HG3 PRO A 29 22.088 0.450 5.284 1.00 10.00 H new ATOM 0 HD2 PRO A 29 21.609 -1.741 3.625 1.00 10.00 H new ATOM 0 HD3 PRO A 29 20.453 -0.462 3.939 1.00 10.00 H new ATOM 496 N GLN A 30 24.820 -0.391 2.200 1.00 10.00 N ATOM 497 CA GLN A 30 26.041 -1.045 1.632 1.00 10.00 C ATOM 498 C GLN A 30 25.838 -2.568 1.533 1.00 10.00 C ATOM 499 O GLN A 30 26.549 -3.247 0.815 1.00 10.00 O ATOM 500 CB GLN A 30 27.177 -0.706 2.608 1.00 10.00 C ATOM 501 CG GLN A 30 26.853 -1.243 4.008 1.00 10.00 C ATOM 502 CD GLN A 30 28.047 -2.037 4.542 1.00 10.00 C ATOM 503 OE1 GLN A 30 28.464 -3.007 3.941 1.00 10.00 O ATOM 504 NE2 GLN A 30 28.620 -1.664 5.653 1.00 10.00 N ATOM 0 H GLN A 30 24.746 -0.424 3.217 1.00 10.00 H new ATOM 0 HA GLN A 30 26.261 -0.693 0.624 1.00 10.00 H new ATOM 0 HB2 GLN A 30 28.112 -1.138 2.253 1.00 10.00 H new ATOM 0 HB3 GLN A 30 27.320 0.374 2.649 1.00 10.00 H new ATOM 0 HG2 GLN A 30 26.622 -0.417 4.681 1.00 10.00 H new ATOM 0 HG3 GLN A 30 25.969 -1.879 3.969 1.00 10.00 H new ATOM 0 HE21 GLN A 30 28.271 -0.850 6.159 1.00 10.00 H new ATOM 0 HE22 GLN A 30 29.417 -2.187 6.016 1.00 10.00 H new ATOM 513 N LEU A 31 24.873 -3.105 2.244 1.00 10.00 N ATOM 514 CA LEU A 31 24.616 -4.576 2.192 1.00 10.00 C ATOM 515 C LEU A 31 23.106 -4.855 2.208 1.00 10.00 C ATOM 516 O LEU A 31 22.366 -4.014 2.701 1.00 10.00 O ATOM 517 CB LEU A 31 25.282 -5.143 3.450 1.00 10.00 C ATOM 518 CG LEU A 31 26.483 -6.005 3.052 1.00 10.00 C ATOM 519 CD1 LEU A 31 27.415 -6.171 4.254 1.00 10.00 C ATOM 520 CD2 LEU A 31 25.997 -7.382 2.594 1.00 10.00 C ATOM 521 OXT LEU A 31 22.715 -5.905 1.727 1.00 10.00 O ATOM 0 H LEU A 31 24.251 -2.582 2.860 1.00 10.00 H new ATOM 0 HA LEU A 31 25.011 -5.030 1.283 1.00 10.00 H new ATOM 0 HB2 LEU A 31 25.605 -4.330 4.100 1.00 10.00 H new ATOM 0 HB3 LEU A 31 24.566 -5.739 4.016 1.00 10.00 H new ATOM 0 HG LEU A 31 27.021 -5.519 2.238 1.00 10.00 H new ATOM 0 HD11 LEU A 31 28.270 -6.785 3.970 1.00 10.00 H new ATOM 0 HD12 LEU A 31 27.764 -5.192 4.581 1.00 10.00 H new ATOM 0 HD13 LEU A 31 26.876 -6.655 5.068 1.00 10.00 H new ATOM 0 HD21 LEU A 31 26.853 -7.994 2.311 1.00 10.00 H new ATOM 0 HD22 LEU A 31 25.457 -7.867 3.408 1.00 10.00 H new ATOM 0 HD23 LEU A 31 25.334 -7.267 1.737 1.00 10.00 H new TER 533 LEU A 31