USER MOD reduce.3.24.130724 H: found=0, std=0, add=266, rem=0, adj=6 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= 0.116 (180deg=0.00855) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0653 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -20.337 10.246 -11.609 1.00 10.00 N ATOM 2 CA SER A 1 -20.286 10.111 -10.121 1.00 10.00 C ATOM 3 C SER A 1 -18.935 9.532 -9.682 1.00 10.00 C ATOM 4 O SER A 1 -18.194 10.160 -8.949 1.00 10.00 O ATOM 5 CB SER A 1 -21.425 9.152 -9.762 1.00 10.00 C ATOM 6 OG SER A 1 -22.645 9.649 -10.296 1.00 10.00 O ATOM 0 H1 SER A 1 -21.328 10.239 -11.924 1.00 10.00 H new ATOM 0 H2 SER A 1 -19.890 11.141 -11.892 1.00 10.00 H new ATOM 0 H3 SER A 1 -19.829 9.452 -12.047 1.00 10.00 H new ATOM 0 HA SER A 1 -20.394 11.073 -9.621 1.00 10.00 H new ATOM 0 HB2 SER A 1 -21.218 8.159 -10.161 1.00 10.00 H new ATOM 0 HB3 SER A 1 -21.503 9.051 -8.679 1.00 10.00 H new ATOM 0 HG SER A 1 -23.375 9.036 -10.069 1.00 10.00 H new ATOM 14 N GLY A 2 -18.610 8.339 -10.123 1.00 10.00 N ATOM 15 CA GLY A 2 -17.310 7.718 -9.729 1.00 10.00 C ATOM 16 C GLY A 2 -17.475 6.973 -8.401 1.00 10.00 C ATOM 17 O GLY A 2 -18.565 6.861 -7.871 1.00 10.00 O ATOM 0 H GLY A 2 -19.191 7.770 -10.739 1.00 10.00 H new ATOM 0 HA2 GLY A 2 -16.975 7.029 -10.504 1.00 10.00 H new ATOM 0 HA3 GLY A 2 -16.543 8.487 -9.633 1.00 10.00 H new ATOM 21 N SER A 3 -16.397 6.460 -7.861 1.00 10.00 N ATOM 22 CA SER A 3 -16.480 5.717 -6.567 1.00 10.00 C ATOM 23 C SER A 3 -15.227 5.987 -5.724 1.00 10.00 C ATOM 24 O SER A 3 -14.123 5.649 -6.112 1.00 10.00 O ATOM 25 CB SER A 3 -16.560 4.241 -6.964 1.00 10.00 C ATOM 26 OG SER A 3 -17.085 3.490 -5.876 1.00 10.00 O ATOM 0 H SER A 3 -15.461 6.524 -8.262 1.00 10.00 H new ATOM 0 HA SER A 3 -17.337 6.021 -5.966 1.00 10.00 H new ATOM 0 HB2 SER A 3 -17.194 4.123 -7.842 1.00 10.00 H new ATOM 0 HB3 SER A 3 -15.571 3.871 -7.233 1.00 10.00 H new ATOM 0 HG SER A 3 -17.139 2.544 -6.127 1.00 10.00 H new ATOM 32 N TRP A 4 -15.391 6.594 -4.574 1.00 10.00 N ATOM 33 CA TRP A 4 -14.214 6.894 -3.701 1.00 10.00 C ATOM 34 C TRP A 4 -14.397 6.269 -2.306 1.00 10.00 C ATOM 35 O TRP A 4 -13.873 6.763 -1.326 1.00 10.00 O ATOM 36 CB TRP A 4 -14.176 8.424 -3.606 1.00 10.00 C ATOM 37 CG TRP A 4 -12.835 8.923 -4.045 1.00 10.00 C ATOM 38 CD1 TRP A 4 -12.545 9.379 -5.285 1.00 10.00 C ATOM 39 CD2 TRP A 4 -11.603 9.025 -3.272 1.00 10.00 C ATOM 40 NE1 TRP A 4 -11.214 9.755 -5.323 1.00 10.00 N ATOM 41 CE2 TRP A 4 -10.591 9.555 -4.107 1.00 10.00 C ATOM 42 CE3 TRP A 4 -11.270 8.712 -1.943 1.00 10.00 C ATOM 43 CZ2 TRP A 4 -9.295 9.767 -3.638 1.00 10.00 C ATOM 44 CZ3 TRP A 4 -9.965 8.924 -1.468 1.00 10.00 C ATOM 45 CH2 TRP A 4 -8.980 9.450 -2.315 1.00 10.00 C ATOM 0 H TRP A 4 -16.292 6.895 -4.202 1.00 10.00 H new ATOM 0 HA TRP A 4 -13.289 6.483 -4.105 1.00 10.00 H new ATOM 0 HB2 TRP A 4 -14.958 8.856 -4.230 1.00 10.00 H new ATOM 0 HB3 TRP A 4 -14.375 8.740 -2.582 1.00 10.00 H new ATOM 0 HD1 TRP A 4 -13.239 9.440 -6.110 1.00 10.00 H new ATOM 0 HE1 TRP A 4 -10.750 10.134 -6.148 1.00 10.00 H new ATOM 0 HE3 TRP A 4 -12.022 8.306 -1.283 1.00 10.00 H new ATOM 0 HZ2 TRP A 4 -8.540 10.174 -4.294 1.00 10.00 H new ATOM 0 HZ3 TRP A 4 -9.720 8.680 -0.445 1.00 10.00 H new ATOM 0 HH2 TRP A 4 -7.978 9.610 -1.945 1.00 10.00 H new ATOM 56 N LEU A 5 -15.130 5.186 -2.211 1.00 10.00 N ATOM 57 CA LEU A 5 -15.339 4.534 -0.881 1.00 10.00 C ATOM 58 C LEU A 5 -15.020 3.037 -0.972 1.00 10.00 C ATOM 59 O LEU A 5 -14.125 2.547 -0.309 1.00 10.00 O ATOM 60 CB LEU A 5 -16.820 4.760 -0.551 1.00 10.00 C ATOM 61 CG LEU A 5 -16.953 5.293 0.878 1.00 10.00 C ATOM 62 CD1 LEU A 5 -16.657 6.794 0.898 1.00 10.00 C ATOM 63 CD2 LEU A 5 -18.379 5.050 1.380 1.00 10.00 C ATOM 0 H LEU A 5 -15.592 4.726 -2.996 1.00 10.00 H new ATOM 0 HA LEU A 5 -14.689 4.948 -0.110 1.00 10.00 H new ATOM 0 HB2 LEU A 5 -17.256 5.468 -1.256 1.00 10.00 H new ATOM 0 HB3 LEU A 5 -17.373 3.826 -0.654 1.00 10.00 H new ATOM 0 HG LEU A 5 -16.243 4.776 1.524 1.00 10.00 H new ATOM 0 HD11 LEU A 5 -16.753 7.170 1.917 1.00 10.00 H new ATOM 0 HD12 LEU A 5 -15.643 6.970 0.540 1.00 10.00 H new ATOM 0 HD13 LEU A 5 -17.365 7.313 0.252 1.00 10.00 H new ATOM 0 HD21 LEU A 5 -18.476 5.429 2.397 1.00 10.00 H new ATOM 0 HD22 LEU A 5 -19.086 5.567 0.731 1.00 10.00 H new ATOM 0 HD23 LEU A 5 -18.591 3.981 1.369 1.00 10.00 H new ATOM 75 N ARG A 6 -15.742 2.311 -1.792 1.00 10.00 N ATOM 76 CA ARG A 6 -15.480 0.844 -1.936 1.00 10.00 C ATOM 77 C ARG A 6 -14.107 0.617 -2.583 1.00 10.00 C ATOM 78 O ARG A 6 -13.310 -0.168 -2.104 1.00 10.00 O ATOM 79 CB ARG A 6 -16.602 0.328 -2.845 1.00 10.00 C ATOM 80 CG ARG A 6 -16.518 -1.197 -2.963 1.00 10.00 C ATOM 81 CD ARG A 6 -17.127 -1.844 -1.715 1.00 10.00 C ATOM 82 NE ARG A 6 -17.598 -3.185 -2.168 1.00 10.00 N ATOM 83 CZ ARG A 6 -16.766 -4.192 -2.205 1.00 10.00 C ATOM 84 NH1 ARG A 6 -16.398 -4.777 -1.095 1.00 10.00 N ATOM 85 NH2 ARG A 6 -16.303 -4.615 -3.353 1.00 10.00 N ATOM 0 H ARG A 6 -16.502 2.672 -2.368 1.00 10.00 H new ATOM 0 HA ARG A 6 -15.467 0.326 -0.977 1.00 10.00 H new ATOM 0 HB2 ARG A 6 -17.572 0.617 -2.440 1.00 10.00 H new ATOM 0 HB3 ARG A 6 -16.520 0.783 -3.832 1.00 10.00 H new ATOM 0 HG2 ARG A 6 -17.048 -1.533 -3.854 1.00 10.00 H new ATOM 0 HG3 ARG A 6 -15.479 -1.506 -3.075 1.00 10.00 H new ATOM 0 HD2 ARG A 6 -16.390 -1.933 -0.917 1.00 10.00 H new ATOM 0 HD3 ARG A 6 -17.951 -1.248 -1.323 1.00 10.00 H new ATOM 0 HE ARG A 6 -18.570 -3.316 -2.449 1.00 10.00 H new ATOM 0 HH11 ARG A 6 -16.760 -4.447 -0.200 1.00 10.00 H new ATOM 0 HH12 ARG A 6 -15.749 -5.563 -1.124 1.00 10.00 H new ATOM 0 HH21 ARG A 6 -16.591 -4.159 -4.219 1.00 10.00 H new ATOM 0 HH22 ARG A 6 -15.654 -5.401 -3.383 1.00 10.00 H new ATOM 99 N ASP A 7 -13.831 1.304 -3.663 1.00 10.00 N ATOM 100 CA ASP A 7 -12.511 1.145 -4.351 1.00 10.00 C ATOM 101 C ASP A 7 -11.364 1.580 -3.424 1.00 10.00 C ATOM 102 O ASP A 7 -10.302 0.989 -3.421 1.00 10.00 O ATOM 103 CB ASP A 7 -12.597 2.064 -5.580 1.00 10.00 C ATOM 104 CG ASP A 7 -11.204 2.264 -6.186 1.00 10.00 C ATOM 105 OD1 ASP A 7 -10.632 1.288 -6.642 1.00 10.00 O ATOM 106 OD2 ASP A 7 -10.736 3.390 -6.186 1.00 10.00 O ATOM 0 H ASP A 7 -14.466 1.972 -4.101 1.00 10.00 H new ATOM 0 HA ASP A 7 -12.310 0.110 -4.627 1.00 10.00 H new ATOM 0 HB2 ASP A 7 -13.266 1.630 -6.323 1.00 10.00 H new ATOM 0 HB3 ASP A 7 -13.020 3.027 -5.295 1.00 10.00 H new ATOM 111 N ILE A 8 -11.576 2.606 -2.638 1.00 10.00 N ATOM 112 CA ILE A 8 -10.501 3.081 -1.711 1.00 10.00 C ATOM 113 C ILE A 8 -10.302 2.078 -0.564 1.00 10.00 C ATOM 114 O ILE A 8 -9.195 1.871 -0.106 1.00 10.00 O ATOM 115 CB ILE A 8 -10.992 4.433 -1.171 1.00 10.00 C ATOM 116 CG1 ILE A 8 -11.283 5.390 -2.338 1.00 10.00 C ATOM 117 CG2 ILE A 8 -9.920 5.047 -0.265 1.00 10.00 C ATOM 118 CD1 ILE A 8 -10.034 5.551 -3.213 1.00 10.00 C ATOM 0 H ILE A 8 -12.447 3.136 -2.598 1.00 10.00 H new ATOM 0 HA ILE A 8 -9.540 3.176 -2.217 1.00 10.00 H new ATOM 0 HB ILE A 8 -11.906 4.275 -0.599 1.00 10.00 H new ATOM 0 HG12 ILE A 8 -12.109 5.005 -2.937 1.00 10.00 H new ATOM 0 HG13 ILE A 8 -11.594 6.361 -1.953 1.00 10.00 H new ATOM 0 HG21 ILE A 8 -10.271 6.006 0.116 1.00 10.00 H new ATOM 0 HG22 ILE A 8 -9.721 4.375 0.570 1.00 10.00 H new ATOM 0 HG23 ILE A 8 -9.004 5.197 -0.836 1.00 10.00 H new ATOM 0 HD11 ILE A 8 -10.252 6.231 -4.037 1.00 10.00 H new ATOM 0 HD12 ILE A 8 -9.219 5.957 -2.613 1.00 10.00 H new ATOM 0 HD13 ILE A 8 -9.742 4.580 -3.612 1.00 10.00 H new ATOM 130 N TRP A 9 -11.362 1.457 -0.098 1.00 10.00 N ATOM 131 CA TRP A 9 -11.230 0.469 1.022 1.00 10.00 C ATOM 132 C TRP A 9 -10.255 -0.651 0.631 1.00 10.00 C ATOM 133 O TRP A 9 -9.307 -0.934 1.343 1.00 10.00 O ATOM 134 CB TRP A 9 -12.641 -0.091 1.238 1.00 10.00 C ATOM 135 CG TRP A 9 -12.639 -1.032 2.404 1.00 10.00 C ATOM 136 CD1 TRP A 9 -13.156 -2.282 2.394 1.00 10.00 C ATOM 137 CD2 TRP A 9 -12.106 -0.822 3.746 1.00 10.00 C ATOM 138 NE1 TRP A 9 -12.974 -2.853 3.641 1.00 10.00 N ATOM 139 CE2 TRP A 9 -12.332 -1.992 4.508 1.00 10.00 C ATOM 140 CE3 TRP A 9 -11.455 0.259 4.369 1.00 10.00 C ATOM 141 CZ2 TRP A 9 -11.926 -2.088 5.840 1.00 10.00 C ATOM 142 CZ3 TRP A 9 -11.045 0.166 5.710 1.00 10.00 C ATOM 143 CH2 TRP A 9 -11.281 -1.005 6.443 1.00 10.00 C ATOM 0 H TRP A 9 -12.312 1.592 -0.445 1.00 10.00 H new ATOM 0 HA TRP A 9 -10.837 0.928 1.929 1.00 10.00 H new ATOM 0 HB2 TRP A 9 -13.342 0.724 1.417 1.00 10.00 H new ATOM 0 HB3 TRP A 9 -12.978 -0.610 0.341 1.00 10.00 H new ATOM 0 HD1 TRP A 9 -13.633 -2.757 1.550 1.00 10.00 H new ATOM 0 HE1 TRP A 9 -13.277 -3.795 3.889 1.00 10.00 H new ATOM 0 HE3 TRP A 9 -11.269 1.166 3.813 1.00 10.00 H new ATOM 0 HZ2 TRP A 9 -12.109 -2.993 6.401 1.00 10.00 H new ATOM 0 HZ3 TRP A 9 -10.545 1.001 6.178 1.00 10.00 H new ATOM 0 HH2 TRP A 9 -10.964 -1.070 7.474 1.00 10.00 H new ATOM 154 N ASP A 10 -10.475 -1.282 -0.496 1.00 10.00 N ATOM 155 CA ASP A 10 -9.557 -2.375 -0.939 1.00 10.00 C ATOM 156 C ASP A 10 -8.205 -1.785 -1.368 1.00 10.00 C ATOM 157 O ASP A 10 -7.170 -2.398 -1.191 1.00 10.00 O ATOM 158 CB ASP A 10 -10.266 -3.044 -2.121 1.00 10.00 C ATOM 159 CG ASP A 10 -10.507 -4.523 -1.803 1.00 10.00 C ATOM 160 OD1 ASP A 10 -11.484 -4.812 -1.131 1.00 10.00 O ATOM 161 OD2 ASP A 10 -9.714 -5.341 -2.237 1.00 10.00 O ATOM 0 H ASP A 10 -11.251 -1.087 -1.128 1.00 10.00 H new ATOM 0 HA ASP A 10 -9.349 -3.091 -0.144 1.00 10.00 H new ATOM 0 HB2 ASP A 10 -11.214 -2.545 -2.320 1.00 10.00 H new ATOM 0 HB3 ASP A 10 -9.661 -2.949 -3.023 1.00 10.00 H new ATOM 166 N TRP A 11 -8.208 -0.591 -1.918 1.00 10.00 N ATOM 167 CA TRP A 11 -6.923 0.049 -2.345 1.00 10.00 C ATOM 168 C TRP A 11 -6.057 0.355 -1.114 1.00 10.00 C ATOM 169 O TRP A 11 -4.861 0.129 -1.124 1.00 10.00 O ATOM 170 CB TRP A 11 -7.335 1.340 -3.063 1.00 10.00 C ATOM 171 CG TRP A 11 -6.132 2.200 -3.290 1.00 10.00 C ATOM 172 CD1 TRP A 11 -5.158 1.955 -4.195 1.00 10.00 C ATOM 173 CD2 TRP A 11 -5.760 3.435 -2.613 1.00 10.00 C ATOM 174 NE1 TRP A 11 -4.210 2.959 -4.116 1.00 10.00 N ATOM 175 CE2 TRP A 11 -4.538 3.897 -3.155 1.00 10.00 C ATOM 176 CE3 TRP A 11 -6.359 4.190 -1.589 1.00 10.00 C ATOM 177 CZ2 TRP A 11 -3.931 5.068 -2.701 1.00 10.00 C ATOM 178 CZ3 TRP A 11 -5.752 5.369 -1.128 1.00 10.00 C ATOM 179 CH2 TRP A 11 -4.541 5.808 -1.682 1.00 10.00 C ATOM 0 H TRP A 11 -9.045 -0.034 -2.089 1.00 10.00 H new ATOM 0 HA TRP A 11 -6.332 -0.596 -2.995 1.00 10.00 H new ATOM 0 HB2 TRP A 11 -7.808 1.102 -4.016 1.00 10.00 H new ATOM 0 HB3 TRP A 11 -8.072 1.879 -2.467 1.00 10.00 H new ATOM 0 HD1 TRP A 11 -5.125 1.112 -4.870 1.00 10.00 H new ATOM 0 HE1 TRP A 11 -3.372 3.002 -4.696 1.00 10.00 H new ATOM 0 HE3 TRP A 11 -7.291 3.861 -1.155 1.00 10.00 H new ATOM 0 HZ2 TRP A 11 -2.998 5.401 -3.132 1.00 10.00 H new ATOM 0 HZ3 TRP A 11 -6.221 5.942 -0.341 1.00 10.00 H new ATOM 0 HH2 TRP A 11 -4.080 6.716 -1.323 1.00 10.00 H new ATOM 190 N ILE A 12 -6.653 0.854 -0.053 1.00 10.00 N ATOM 191 CA ILE A 12 -5.862 1.157 1.183 1.00 10.00 C ATOM 192 C ILE A 12 -5.139 -0.116 1.654 1.00 10.00 C ATOM 193 O ILE A 12 -4.013 -0.067 2.112 1.00 10.00 O ATOM 194 CB ILE A 12 -6.894 1.627 2.224 1.00 10.00 C ATOM 195 CG1 ILE A 12 -7.233 3.102 1.974 1.00 10.00 C ATOM 196 CG2 ILE A 12 -6.322 1.477 3.639 1.00 10.00 C ATOM 197 CD1 ILE A 12 -8.466 3.494 2.793 1.00 10.00 C ATOM 0 H ILE A 12 -7.649 1.063 0.009 1.00 10.00 H new ATOM 0 HA ILE A 12 -5.098 1.917 1.018 1.00 10.00 H new ATOM 0 HB ILE A 12 -7.793 1.017 2.133 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -6.387 3.731 2.249 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -7.422 3.267 0.913 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -7.060 1.812 4.367 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -6.079 0.431 3.824 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -5.420 2.081 3.733 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -8.704 4.542 2.613 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -9.312 2.874 2.497 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -8.261 3.345 3.853 1.00 10.00 H new ATOM 209 N CYS A 13 -5.779 -1.256 1.524 1.00 10.00 N ATOM 210 CA CYS A 13 -5.133 -2.538 1.942 1.00 10.00 C ATOM 211 C CYS A 13 -3.999 -2.896 0.970 1.00 10.00 C ATOM 212 O CYS A 13 -2.979 -3.428 1.365 1.00 10.00 O ATOM 213 CB CYS A 13 -6.249 -3.586 1.882 1.00 10.00 C ATOM 214 SG CYS A 13 -5.671 -5.130 2.631 1.00 10.00 S ATOM 0 H CYS A 13 -6.722 -1.351 1.146 1.00 10.00 H new ATOM 0 HA CYS A 13 -4.692 -2.476 2.937 1.00 10.00 H new ATOM 0 HB2 CYS A 13 -7.132 -3.223 2.408 1.00 10.00 H new ATOM 0 HB3 CYS A 13 -6.544 -3.760 0.847 1.00 10.00 H new ATOM 0 HG CYS A 13 -6.619 -6.018 2.581 1.00 10.00 H new ATOM 220 N GLU A 14 -4.168 -2.594 -0.298 1.00 10.00 N ATOM 221 CA GLU A 14 -3.100 -2.902 -1.301 1.00 10.00 C ATOM 222 C GLU A 14 -1.855 -2.055 -1.015 1.00 10.00 C ATOM 223 O GLU A 14 -0.738 -2.536 -1.063 1.00 10.00 O ATOM 224 CB GLU A 14 -3.704 -2.534 -2.661 1.00 10.00 C ATOM 225 CG GLU A 14 -3.652 -3.747 -3.596 1.00 10.00 C ATOM 226 CD GLU A 14 -2.316 -3.764 -4.343 1.00 10.00 C ATOM 227 OE1 GLU A 14 -2.165 -2.984 -5.270 1.00 10.00 O ATOM 228 OE2 GLU A 14 -1.466 -4.558 -3.976 1.00 10.00 O ATOM 0 H GLU A 14 -5.001 -2.147 -0.680 1.00 10.00 H new ATOM 0 HA GLU A 14 -2.791 -3.947 -1.269 1.00 10.00 H new ATOM 0 HB2 GLU A 14 -4.735 -2.205 -2.534 1.00 10.00 H new ATOM 0 HB3 GLU A 14 -3.155 -1.701 -3.100 1.00 10.00 H new ATOM 0 HG2 GLU A 14 -3.771 -4.666 -3.022 1.00 10.00 H new ATOM 0 HG3 GLU A 14 -4.477 -3.706 -4.307 1.00 10.00 H new ATOM 235 N VAL A 15 -2.049 -0.798 -0.705 1.00 10.00 N ATOM 236 CA VAL A 15 -0.890 0.099 -0.397 1.00 10.00 C ATOM 237 C VAL A 15 -0.210 -0.346 0.907 1.00 10.00 C ATOM 238 O VAL A 15 0.992 -0.243 1.048 1.00 10.00 O ATOM 239 CB VAL A 15 -1.489 1.505 -0.246 1.00 10.00 C ATOM 240 CG1 VAL A 15 -0.391 2.493 0.159 1.00 10.00 C ATOM 241 CG2 VAL A 15 -2.099 1.950 -1.579 1.00 10.00 C ATOM 0 H VAL A 15 -2.964 -0.351 -0.651 1.00 10.00 H new ATOM 0 HA VAL A 15 -0.130 0.071 -1.178 1.00 10.00 H new ATOM 0 HB VAL A 15 -2.262 1.483 0.522 1.00 10.00 H new ATOM 0 HG11 VAL A 15 -0.819 3.490 0.265 1.00 10.00 H new ATOM 0 HG12 VAL A 15 0.046 2.183 1.108 1.00 10.00 H new ATOM 0 HG13 VAL A 15 0.383 2.511 -0.608 1.00 10.00 H new ATOM 0 HG21 VAL A 15 -2.524 2.948 -1.470 1.00 10.00 H new ATOM 0 HG22 VAL A 15 -1.325 1.967 -2.346 1.00 10.00 H new ATOM 0 HG23 VAL A 15 -2.884 1.252 -1.871 1.00 10.00 H new ATOM 251 N LEU A 16 -0.973 -0.847 1.855 1.00 10.00 N ATOM 252 CA LEU A 16 -0.368 -1.311 3.145 1.00 10.00 C ATOM 253 C LEU A 16 0.661 -2.413 2.868 1.00 10.00 C ATOM 254 O LEU A 16 1.782 -2.358 3.338 1.00 10.00 O ATOM 255 CB LEU A 16 -1.540 -1.855 3.971 1.00 10.00 C ATOM 256 CG LEU A 16 -1.037 -2.308 5.347 1.00 10.00 C ATOM 257 CD1 LEU A 16 -1.820 -1.584 6.445 1.00 10.00 C ATOM 258 CD2 LEU A 16 -1.238 -3.820 5.492 1.00 10.00 C ATOM 0 H LEU A 16 -1.985 -0.953 1.789 1.00 10.00 H new ATOM 0 HA LEU A 16 0.152 -0.511 3.672 1.00 10.00 H new ATOM 0 HB2 LEU A 16 -2.303 -1.086 4.087 1.00 10.00 H new ATOM 0 HB3 LEU A 16 -2.007 -2.691 3.451 1.00 10.00 H new ATOM 0 HG LEU A 16 0.023 -2.070 5.440 1.00 10.00 H new ATOM 0 HD11 LEU A 16 -1.461 -1.908 7.422 1.00 10.00 H new ATOM 0 HD12 LEU A 16 -1.678 -0.508 6.344 1.00 10.00 H new ATOM 0 HD13 LEU A 16 -2.880 -1.820 6.352 1.00 10.00 H new ATOM 0 HD21 LEU A 16 -0.881 -4.142 6.470 1.00 10.00 H new ATOM 0 HD22 LEU A 16 -2.298 -4.057 5.397 1.00 10.00 H new ATOM 0 HD23 LEU A 16 -0.679 -4.338 4.713 1.00 10.00 H new ATOM 270 N SER A 17 0.294 -3.404 2.090 1.00 10.00 N ATOM 271 CA SER A 17 1.257 -4.500 1.761 1.00 10.00 C ATOM 272 C SER A 17 2.330 -3.969 0.803 1.00 10.00 C ATOM 273 O SER A 17 3.489 -4.322 0.903 1.00 10.00 O ATOM 274 CB SER A 17 0.421 -5.591 1.089 1.00 10.00 C ATOM 275 OG SER A 17 0.937 -6.866 1.454 1.00 10.00 O ATOM 0 H SER A 17 -0.630 -3.500 1.670 1.00 10.00 H new ATOM 0 HA SER A 17 1.770 -4.883 2.643 1.00 10.00 H new ATOM 0 HB2 SER A 17 -0.622 -5.506 1.394 1.00 10.00 H new ATOM 0 HB3 SER A 17 0.447 -5.471 0.006 1.00 10.00 H new ATOM 0 HG SER A 17 0.404 -7.569 1.027 1.00 10.00 H new ATOM 281 N ASP A 18 1.950 -3.108 -0.113 1.00 10.00 N ATOM 282 CA ASP A 18 2.943 -2.532 -1.071 1.00 10.00 C ATOM 283 C ASP A 18 3.961 -1.672 -0.313 1.00 10.00 C ATOM 284 O ASP A 18 5.125 -1.650 -0.653 1.00 10.00 O ATOM 285 CB ASP A 18 2.115 -1.676 -2.042 1.00 10.00 C ATOM 286 CG ASP A 18 3.004 -0.621 -2.710 1.00 10.00 C ATOM 287 OD1 ASP A 18 3.718 -0.972 -3.634 1.00 10.00 O ATOM 288 OD2 ASP A 18 2.956 0.521 -2.283 1.00 10.00 O ATOM 0 H ASP A 18 0.992 -2.780 -0.237 1.00 10.00 H new ATOM 0 HA ASP A 18 3.508 -3.300 -1.599 1.00 10.00 H new ATOM 0 HB2 ASP A 18 1.660 -2.312 -2.801 1.00 10.00 H new ATOM 0 HB3 ASP A 18 1.301 -1.189 -1.505 1.00 10.00 H new ATOM 293 N PHE A 19 3.531 -0.971 0.712 1.00 10.00 N ATOM 294 CA PHE A 19 4.473 -0.114 1.501 1.00 10.00 C ATOM 295 C PHE A 19 5.706 -0.921 1.924 1.00 10.00 C ATOM 296 O PHE A 19 6.815 -0.419 1.921 1.00 10.00 O ATOM 297 CB PHE A 19 3.679 0.329 2.734 1.00 10.00 C ATOM 298 CG PHE A 19 3.702 1.836 2.838 1.00 10.00 C ATOM 299 CD1 PHE A 19 3.008 2.615 1.902 1.00 10.00 C ATOM 300 CD2 PHE A 19 4.419 2.456 3.868 1.00 10.00 C ATOM 301 CE1 PHE A 19 3.031 4.011 1.998 1.00 10.00 C ATOM 302 CE2 PHE A 19 4.442 3.852 3.964 1.00 10.00 C ATOM 303 CZ PHE A 19 3.748 4.630 3.029 1.00 10.00 C ATOM 0 H PHE A 19 2.564 -0.957 1.036 1.00 10.00 H new ATOM 0 HA PHE A 19 4.833 0.735 0.920 1.00 10.00 H new ATOM 0 HB2 PHE A 19 2.650 -0.025 2.663 1.00 10.00 H new ATOM 0 HB3 PHE A 19 4.107 -0.114 3.633 1.00 10.00 H new ATOM 0 HD1 PHE A 19 2.455 2.138 1.106 1.00 10.00 H new ATOM 0 HD2 PHE A 19 4.955 1.857 4.589 1.00 10.00 H new ATOM 0 HE1 PHE A 19 2.496 4.611 1.277 1.00 10.00 H new ATOM 0 HE2 PHE A 19 4.995 4.329 4.759 1.00 10.00 H new ATOM 0 HZ PHE A 19 3.766 5.707 3.103 1.00 10.00 H new ATOM 313 N LYS A 20 5.521 -2.172 2.275 1.00 10.00 N ATOM 314 CA LYS A 20 6.685 -3.021 2.684 1.00 10.00 C ATOM 315 C LYS A 20 7.682 -3.153 1.522 1.00 10.00 C ATOM 316 O LYS A 20 8.882 -3.181 1.727 1.00 10.00 O ATOM 317 CB LYS A 20 6.084 -4.386 3.037 1.00 10.00 C ATOM 318 CG LYS A 20 7.190 -5.326 3.532 1.00 10.00 C ATOM 319 CD LYS A 20 6.758 -5.981 4.846 1.00 10.00 C ATOM 320 CE LYS A 20 7.946 -6.729 5.460 1.00 10.00 C ATOM 321 NZ LYS A 20 7.416 -7.340 6.714 1.00 10.00 N ATOM 0 H LYS A 20 4.615 -2.641 2.296 1.00 10.00 H new ATOM 0 HA LYS A 20 7.232 -2.591 3.523 1.00 10.00 H new ATOM 0 HB2 LYS A 20 5.321 -4.270 3.807 1.00 10.00 H new ATOM 0 HB3 LYS A 20 5.593 -4.815 2.163 1.00 10.00 H new ATOM 0 HG2 LYS A 20 7.393 -6.091 2.783 1.00 10.00 H new ATOM 0 HG3 LYS A 20 8.116 -4.769 3.679 1.00 10.00 H new ATOM 0 HD2 LYS A 20 6.394 -5.223 5.540 1.00 10.00 H new ATOM 0 HD3 LYS A 20 5.934 -6.671 4.667 1.00 10.00 H new ATOM 0 HE2 LYS A 20 8.325 -7.492 4.780 1.00 10.00 H new ATOM 0 HE3 LYS A 20 8.772 -6.050 5.671 1.00 10.00 H new ATOM 0 HZ1 LYS A 20 8.174 -7.869 7.190 1.00 10.00 H new ATOM 0 HZ2 LYS A 20 7.068 -6.590 7.345 1.00 10.00 H new ATOM 0 HZ3 LYS A 20 6.635 -7.987 6.482 1.00 10.00 H new ATOM 335 N THR A 21 7.195 -3.225 0.307 1.00 10.00 N ATOM 336 CA THR A 21 8.116 -3.345 -0.867 1.00 10.00 C ATOM 337 C THR A 21 8.474 -1.952 -1.396 1.00 10.00 C ATOM 338 O THR A 21 9.614 -1.686 -1.721 1.00 10.00 O ATOM 339 CB THR A 21 7.339 -4.135 -1.931 1.00 10.00 C ATOM 340 OG1 THR A 21 6.524 -5.120 -1.304 1.00 10.00 O ATOM 341 CG2 THR A 21 8.325 -4.820 -2.880 1.00 10.00 C ATOM 0 H THR A 21 6.201 -3.206 0.077 1.00 10.00 H new ATOM 0 HA THR A 21 9.048 -3.844 -0.601 1.00 10.00 H new ATOM 0 HB THR A 21 6.705 -3.449 -2.494 1.00 10.00 H new ATOM 0 HG1 THR A 21 6.030 -5.619 -1.987 1.00 10.00 H new ATOM 0 HG21 THR A 21 7.774 -5.381 -3.635 1.00 10.00 H new ATOM 0 HG22 THR A 21 8.944 -4.067 -3.367 1.00 10.00 H new ATOM 0 HG23 THR A 21 8.961 -5.501 -2.314 1.00 10.00 H new ATOM 349 N TRP A 22 7.508 -1.066 -1.476 1.00 10.00 N ATOM 350 CA TRP A 22 7.781 0.319 -1.976 1.00 10.00 C ATOM 351 C TRP A 22 8.897 0.968 -1.153 1.00 10.00 C ATOM 352 O TRP A 22 9.816 1.551 -1.693 1.00 10.00 O ATOM 353 CB TRP A 22 6.467 1.080 -1.776 1.00 10.00 C ATOM 354 CG TRP A 22 6.309 2.107 -2.853 1.00 10.00 C ATOM 355 CD1 TRP A 22 5.696 1.900 -4.042 1.00 10.00 C ATOM 356 CD2 TRP A 22 6.756 3.493 -2.858 1.00 10.00 C ATOM 357 NE1 TRP A 22 5.739 3.072 -4.776 1.00 10.00 N ATOM 358 CE2 TRP A 22 6.383 4.083 -4.089 1.00 10.00 C ATOM 359 CE3 TRP A 22 7.443 4.289 -1.924 1.00 10.00 C ATOM 360 CZ2 TRP A 22 6.679 5.414 -4.383 1.00 10.00 C ATOM 361 CZ3 TRP A 22 7.744 5.630 -2.216 1.00 10.00 C ATOM 362 CH2 TRP A 22 7.362 6.191 -3.443 1.00 10.00 C ATOM 0 H TRP A 22 6.538 -1.245 -1.215 1.00 10.00 H new ATOM 0 HA TRP A 22 8.104 0.323 -3.017 1.00 10.00 H new ATOM 0 HB2 TRP A 22 5.627 0.386 -1.796 1.00 10.00 H new ATOM 0 HB3 TRP A 22 6.459 1.561 -0.798 1.00 10.00 H new ATOM 0 HD1 TRP A 22 5.247 0.972 -4.365 1.00 10.00 H new ATOM 0 HE1 TRP A 22 5.344 3.177 -5.710 1.00 10.00 H new ATOM 0 HE3 TRP A 22 7.741 3.867 -0.976 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 6.383 5.841 -5.330 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 8.272 6.232 -1.492 1.00 10.00 H new ATOM 0 HH2 TRP A 22 7.595 7.223 -3.662 1.00 10.00 H new ATOM 373 N LEU A 23 8.817 0.868 0.152 1.00 10.00 N ATOM 374 CA LEU A 23 9.872 1.478 1.023 1.00 10.00 C ATOM 375 C LEU A 23 11.216 0.768 0.809 1.00 10.00 C ATOM 376 O LEU A 23 12.253 1.402 0.749 1.00 10.00 O ATOM 377 CB LEU A 23 9.378 1.279 2.464 1.00 10.00 C ATOM 378 CG LEU A 23 8.606 2.519 2.939 1.00 10.00 C ATOM 379 CD1 LEU A 23 9.530 3.739 2.933 1.00 10.00 C ATOM 380 CD2 LEU A 23 7.413 2.780 2.009 1.00 10.00 C ATOM 0 H LEU A 23 8.067 0.391 0.652 1.00 10.00 H new ATOM 0 HA LEU A 23 10.031 2.532 0.794 1.00 10.00 H new ATOM 0 HB2 LEU A 23 8.736 0.400 2.517 1.00 10.00 H new ATOM 0 HB3 LEU A 23 10.226 1.095 3.124 1.00 10.00 H new ATOM 0 HG LEU A 23 8.243 2.343 3.952 1.00 10.00 H new ATOM 0 HD11 LEU A 23 8.977 4.616 3.271 1.00 10.00 H new ATOM 0 HD12 LEU A 23 10.372 3.561 3.602 1.00 10.00 H new ATOM 0 HD13 LEU A 23 9.900 3.910 1.922 1.00 10.00 H new ATOM 0 HD21 LEU A 23 6.870 3.661 2.352 1.00 10.00 H new ATOM 0 HD22 LEU A 23 7.773 2.948 0.994 1.00 10.00 H new ATOM 0 HD23 LEU A 23 6.748 1.917 2.020 1.00 10.00 H new ATOM 392 N LYS A 24 11.205 -0.539 0.680 1.00 10.00 N ATOM 393 CA LYS A 24 12.485 -1.286 0.458 1.00 10.00 C ATOM 394 C LYS A 24 13.027 -0.990 -0.948 1.00 10.00 C ATOM 395 O LYS A 24 14.219 -0.844 -1.143 1.00 10.00 O ATOM 396 CB LYS A 24 12.112 -2.765 0.594 1.00 10.00 C ATOM 397 CG LYS A 24 13.380 -3.603 0.789 1.00 10.00 C ATOM 398 CD LYS A 24 13.014 -4.957 1.406 1.00 10.00 C ATOM 399 CE LYS A 24 12.255 -5.808 0.378 1.00 10.00 C ATOM 400 NZ LYS A 24 10.871 -5.936 0.919 1.00 10.00 N ATOM 0 H LYS A 24 10.367 -1.119 0.719 1.00 10.00 H new ATOM 0 HA LYS A 24 13.262 -0.999 1.166 1.00 10.00 H new ATOM 0 HB2 LYS A 24 11.439 -2.904 1.440 1.00 10.00 H new ATOM 0 HB3 LYS A 24 11.578 -3.098 -0.296 1.00 10.00 H new ATOM 0 HG2 LYS A 24 13.880 -3.752 -0.168 1.00 10.00 H new ATOM 0 HG3 LYS A 24 14.081 -3.075 1.436 1.00 10.00 H new ATOM 0 HD2 LYS A 24 13.917 -5.477 1.727 1.00 10.00 H new ATOM 0 HD3 LYS A 24 12.399 -4.808 2.294 1.00 10.00 H new ATOM 0 HE2 LYS A 24 12.252 -5.331 -0.602 1.00 10.00 H new ATOM 0 HE3 LYS A 24 12.721 -6.785 0.255 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 10.295 -6.506 0.267 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 10.903 -6.400 1.849 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 10.448 -4.991 1.018 1.00 10.00 H new ATOM 414 N ALA A 25 12.153 -0.895 -1.923 1.00 10.00 N ATOM 415 CA ALA A 25 12.600 -0.601 -3.321 1.00 10.00 C ATOM 416 C ALA A 25 13.258 0.785 -3.406 1.00 10.00 C ATOM 417 O ALA A 25 14.027 1.055 -4.307 1.00 10.00 O ATOM 418 CB ALA A 25 11.321 -0.634 -4.162 1.00 10.00 C ATOM 0 H ALA A 25 11.146 -1.009 -1.809 1.00 10.00 H new ATOM 0 HA ALA A 25 13.342 -1.320 -3.667 1.00 10.00 H new ATOM 0 HB1 ALA A 25 11.565 -0.427 -5.204 1.00 10.00 H new ATOM 0 HB2 ALA A 25 10.861 -1.619 -4.086 1.00 10.00 H new ATOM 0 HB3 ALA A 25 10.625 0.121 -3.796 1.00 10.00 H new ATOM 424 N LYS A 26 12.962 1.664 -2.476 1.00 10.00 N ATOM 425 CA LYS A 26 13.571 3.031 -2.502 1.00 10.00 C ATOM 426 C LYS A 26 14.777 3.108 -1.554 1.00 10.00 C ATOM 427 O LYS A 26 15.660 3.925 -1.734 1.00 10.00 O ATOM 428 CB LYS A 26 12.459 3.970 -2.027 1.00 10.00 C ATOM 429 CG LYS A 26 11.686 4.505 -3.235 1.00 10.00 C ATOM 430 CD LYS A 26 11.185 5.921 -2.936 1.00 10.00 C ATOM 431 CE LYS A 26 10.818 6.624 -4.246 1.00 10.00 C ATOM 432 NZ LYS A 26 10.872 8.082 -3.937 1.00 10.00 N ATOM 0 H LYS A 26 12.324 1.492 -1.699 1.00 10.00 H new ATOM 0 HA LYS A 26 13.937 3.294 -3.495 1.00 10.00 H new ATOM 0 HB2 LYS A 26 11.783 3.439 -1.356 1.00 10.00 H new ATOM 0 HB3 LYS A 26 12.886 4.798 -1.460 1.00 10.00 H new ATOM 0 HG2 LYS A 26 12.328 4.514 -4.116 1.00 10.00 H new ATOM 0 HG3 LYS A 26 10.844 3.850 -3.460 1.00 10.00 H new ATOM 0 HD2 LYS A 26 10.317 5.879 -2.279 1.00 10.00 H new ATOM 0 HD3 LYS A 26 11.955 6.487 -2.411 1.00 10.00 H new ATOM 0 HE2 LYS A 26 11.517 6.364 -5.041 1.00 10.00 H new ATOM 0 HE3 LYS A 26 9.825 6.330 -4.586 1.00 10.00 H new ATOM 0 HZ1 LYS A 26 10.631 8.627 -4.790 1.00 10.00 H new ATOM 0 HZ2 LYS A 26 10.192 8.302 -3.182 1.00 10.00 H new ATOM 0 HZ3 LYS A 26 11.831 8.335 -3.624 1.00 10.00 H new ATOM 446 N LEU A 27 14.821 2.268 -0.544 1.00 10.00 N ATOM 447 CA LEU A 27 15.969 2.297 0.416 1.00 10.00 C ATOM 448 C LEU A 27 17.252 1.778 -0.253 1.00 10.00 C ATOM 449 O LEU A 27 18.341 2.214 0.068 1.00 10.00 O ATOM 450 CB LEU A 27 15.553 1.372 1.568 1.00 10.00 C ATOM 451 CG LEU A 27 15.376 2.180 2.862 1.00 10.00 C ATOM 452 CD1 LEU A 27 16.680 2.910 3.202 1.00 10.00 C ATOM 453 CD2 LEU A 27 14.249 3.202 2.684 1.00 10.00 C ATOM 0 H LEU A 27 14.110 1.564 -0.345 1.00 10.00 H new ATOM 0 HA LEU A 27 16.183 3.309 0.760 1.00 10.00 H new ATOM 0 HB2 LEU A 27 14.621 0.864 1.318 1.00 10.00 H new ATOM 0 HB3 LEU A 27 16.308 0.599 1.714 1.00 10.00 H new ATOM 0 HG LEU A 27 15.122 1.499 3.675 1.00 10.00 H new ATOM 0 HD11 LEU A 27 16.548 3.481 4.121 1.00 10.00 H new ATOM 0 HD12 LEU A 27 17.480 2.182 3.339 1.00 10.00 H new ATOM 0 HD13 LEU A 27 16.941 3.587 2.388 1.00 10.00 H new ATOM 0 HD21 LEU A 27 14.127 3.773 3.604 1.00 10.00 H new ATOM 0 HD22 LEU A 27 14.498 3.879 1.867 1.00 10.00 H new ATOM 0 HD23 LEU A 27 13.319 2.682 2.454 1.00 10.00 H new ATOM 465 N MET A 28 17.130 0.852 -1.175 1.00 10.00 N ATOM 466 CA MET A 28 18.345 0.302 -1.862 1.00 10.00 C ATOM 467 C MET A 28 19.049 1.391 -2.697 1.00 10.00 C ATOM 468 O MET A 28 20.222 1.642 -2.498 1.00 10.00 O ATOM 469 CB MET A 28 17.830 -0.827 -2.763 1.00 10.00 C ATOM 470 CG MET A 28 18.249 -2.182 -2.183 1.00 10.00 C ATOM 471 SD MET A 28 19.510 -2.929 -3.246 1.00 10.00 S ATOM 472 CE MET A 28 20.930 -2.010 -2.600 1.00 10.00 C ATOM 0 H MET A 28 16.243 0.453 -1.482 1.00 10.00 H new ATOM 0 HA MET A 28 19.082 -0.058 -1.144 1.00 10.00 H new ATOM 0 HB2 MET A 28 16.744 -0.775 -2.843 1.00 10.00 H new ATOM 0 HB3 MET A 28 18.230 -0.712 -3.771 1.00 10.00 H new ATOM 0 HG2 MET A 28 18.639 -2.053 -1.173 1.00 10.00 H new ATOM 0 HG3 MET A 28 17.384 -2.841 -2.108 1.00 10.00 H new ATOM 0 HE1 MET A 28 21.833 -2.320 -3.125 1.00 10.00 H new ATOM 0 HE2 MET A 28 20.771 -0.942 -2.750 1.00 10.00 H new ATOM 0 HE3 MET A 28 21.042 -2.214 -1.535 1.00 10.00 H new ATOM 482 N PRO A 29 18.318 2.001 -3.610 1.00 10.00 N ATOM 483 CA PRO A 29 18.909 3.064 -4.468 1.00 10.00 C ATOM 484 C PRO A 29 19.128 4.361 -3.675 1.00 10.00 C ATOM 485 O PRO A 29 19.006 4.390 -2.463 1.00 10.00 O ATOM 486 CB PRO A 29 17.861 3.268 -5.560 1.00 10.00 C ATOM 487 CG PRO A 29 16.570 2.822 -4.950 1.00 10.00 C ATOM 488 CD PRO A 29 16.902 1.767 -3.928 1.00 10.00 C ATOM 0 HA PRO A 29 19.888 2.789 -4.861 1.00 10.00 H new ATOM 0 HB2 PRO A 29 17.811 4.312 -5.868 1.00 10.00 H new ATOM 0 HB3 PRO A 29 18.099 2.684 -6.449 1.00 10.00 H new ATOM 0 HG2 PRO A 29 16.055 3.661 -4.483 1.00 10.00 H new ATOM 0 HG3 PRO A 29 15.902 2.422 -5.713 1.00 10.00 H new ATOM 0 HD2 PRO A 29 16.275 1.861 -3.042 1.00 10.00 H new ATOM 0 HD3 PRO A 29 16.744 0.764 -4.326 1.00 10.00 H new ATOM 496 N GLN A 30 19.449 5.433 -4.356 1.00 10.00 N ATOM 497 CA GLN A 30 19.676 6.735 -3.653 1.00 10.00 C ATOM 498 C GLN A 30 18.354 7.259 -3.080 1.00 10.00 C ATOM 499 O GLN A 30 17.343 7.291 -3.758 1.00 10.00 O ATOM 500 CB GLN A 30 20.216 7.688 -4.726 1.00 10.00 C ATOM 501 CG GLN A 30 21.459 8.409 -4.193 1.00 10.00 C ATOM 502 CD GLN A 30 21.908 9.471 -5.201 1.00 10.00 C ATOM 503 OE1 GLN A 30 22.945 9.338 -5.820 1.00 10.00 O ATOM 504 NE2 GLN A 30 21.166 10.528 -5.394 1.00 10.00 N ATOM 0 H GLN A 30 19.564 5.463 -5.369 1.00 10.00 H new ATOM 0 HA GLN A 30 20.370 6.637 -2.818 1.00 10.00 H new ATOM 0 HB2 GLN A 30 20.465 7.131 -5.629 1.00 10.00 H new ATOM 0 HB3 GLN A 30 19.451 8.414 -5.000 1.00 10.00 H new ATOM 0 HG2 GLN A 30 21.238 8.875 -3.233 1.00 10.00 H new ATOM 0 HG3 GLN A 30 22.262 7.692 -4.022 1.00 10.00 H new ATOM 0 HE21 GLN A 30 20.295 10.641 -4.875 1.00 10.00 H new ATOM 0 HE22 GLN A 30 21.457 11.240 -6.064 1.00 10.00 H new ATOM 513 N LEU A 31 18.355 7.666 -1.834 1.00 10.00 N ATOM 514 CA LEU A 31 17.097 8.186 -1.204 1.00 10.00 C ATOM 515 C LEU A 31 16.921 9.688 -1.494 1.00 10.00 C ATOM 516 O LEU A 31 17.604 10.193 -2.372 1.00 10.00 O ATOM 517 CB LEU A 31 17.277 7.941 0.300 1.00 10.00 C ATOM 518 CG LEU A 31 16.765 6.543 0.660 1.00 10.00 C ATOM 519 CD1 LEU A 31 17.906 5.530 0.537 1.00 10.00 C ATOM 520 CD2 LEU A 31 16.244 6.548 2.099 1.00 10.00 C ATOM 521 OXT LEU A 31 16.098 10.307 -0.836 1.00 10.00 O ATOM 0 H LEU A 31 19.172 7.661 -1.224 1.00 10.00 H new ATOM 0 HA LEU A 31 16.209 7.691 -1.596 1.00 10.00 H new ATOM 0 HB2 LEU A 31 18.329 8.034 0.570 1.00 10.00 H new ATOM 0 HB3 LEU A 31 16.734 8.696 0.869 1.00 10.00 H new ATOM 0 HG LEU A 31 15.960 6.266 -0.021 1.00 10.00 H new ATOM 0 HD11 LEU A 31 17.539 4.536 0.794 1.00 10.00 H new ATOM 0 HD12 LEU A 31 18.280 5.526 -0.487 1.00 10.00 H new ATOM 0 HD13 LEU A 31 18.712 5.806 1.217 1.00 10.00 H new ATOM 0 HD21 LEU A 31 15.879 5.554 2.357 1.00 10.00 H new ATOM 0 HD22 LEU A 31 17.051 6.826 2.777 1.00 10.00 H new ATOM 0 HD23 LEU A 31 15.430 7.268 2.189 1.00 10.00 H new TER 533 LEU A 31