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= 0.00593 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.00507 USER MOD Single : A 3 SER OG : rot 60:sc= 0.0869 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= 0.0115 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= -0.433 X(o=-0.43,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -20.167 3.401 -9.352 1.00 10.00 N ATOM 2 CA SER A 1 -21.459 2.652 -9.285 1.00 10.00 C ATOM 3 C SER A 1 -22.281 3.104 -8.070 1.00 10.00 C ATOM 4 O SER A 1 -23.390 3.582 -8.211 1.00 10.00 O ATOM 5 CB SER A 1 -21.065 1.179 -9.156 1.00 10.00 C ATOM 6 OG SER A 1 -20.435 0.754 -10.358 1.00 10.00 O ATOM 0 H1 SER A 1 -19.470 2.844 -9.887 1.00 10.00 H new ATOM 0 H2 SER A 1 -20.319 4.314 -9.827 1.00 10.00 H new ATOM 0 H3 SER A 1 -19.812 3.567 -8.389 1.00 10.00 H new ATOM 0 HA SER A 1 -22.079 2.829 -10.164 1.00 10.00 H new ATOM 0 HB2 SER A 1 -20.390 1.044 -8.311 1.00 10.00 H new ATOM 0 HB3 SER A 1 -21.948 0.570 -8.960 1.00 10.00 H new ATOM 0 HG SER A 1 -20.180 -0.189 -10.278 1.00 10.00 H new ATOM 14 N GLY A 2 -21.748 2.959 -6.879 1.00 10.00 N ATOM 15 CA GLY A 2 -22.506 3.383 -5.662 1.00 10.00 C ATOM 16 C GLY A 2 -21.687 3.081 -4.404 1.00 10.00 C ATOM 17 O GLY A 2 -21.423 3.957 -3.602 1.00 10.00 O ATOM 0 H GLY A 2 -20.824 2.567 -6.699 1.00 10.00 H new ATOM 0 HA2 GLY A 2 -22.728 4.449 -5.714 1.00 10.00 H new ATOM 0 HA3 GLY A 2 -23.462 2.860 -5.618 1.00 10.00 H new ATOM 21 N SER A 3 -21.286 1.845 -4.223 1.00 10.00 N ATOM 22 CA SER A 3 -20.485 1.476 -3.013 1.00 10.00 C ATOM 23 C SER A 3 -19.000 1.812 -3.229 1.00 10.00 C ATOM 24 O SER A 3 -18.159 0.935 -3.308 1.00 10.00 O ATOM 25 CB SER A 3 -20.685 -0.034 -2.847 1.00 10.00 C ATOM 26 OG SER A 3 -20.518 -0.679 -4.106 1.00 10.00 O ATOM 0 H SER A 3 -21.480 1.074 -4.863 1.00 10.00 H new ATOM 0 HA SER A 3 -20.802 2.025 -2.126 1.00 10.00 H new ATOM 0 HB2 SER A 3 -19.969 -0.429 -2.127 1.00 10.00 H new ATOM 0 HB3 SER A 3 -21.680 -0.238 -2.452 1.00 10.00 H new ATOM 0 HG SER A 3 -19.613 -0.510 -4.443 1.00 10.00 H new ATOM 32 N TRP A 4 -18.675 3.079 -3.319 1.00 10.00 N ATOM 33 CA TRP A 4 -17.248 3.483 -3.528 1.00 10.00 C ATOM 34 C TRP A 4 -16.440 3.348 -2.227 1.00 10.00 C ATOM 35 O TRP A 4 -15.226 3.285 -2.255 1.00 10.00 O ATOM 36 CB TRP A 4 -17.300 4.945 -3.982 1.00 10.00 C ATOM 37 CG TRP A 4 -16.288 5.171 -5.061 1.00 10.00 C ATOM 38 CD1 TRP A 4 -16.205 4.462 -6.212 1.00 10.00 C ATOM 39 CD2 TRP A 4 -15.218 6.159 -5.113 1.00 10.00 C ATOM 40 NE1 TRP A 4 -15.151 4.950 -6.964 1.00 10.00 N ATOM 41 CE2 TRP A 4 -14.513 5.997 -6.329 1.00 10.00 C ATOM 42 CE3 TRP A 4 -14.795 7.171 -4.231 1.00 10.00 C ATOM 43 CZ2 TRP A 4 -13.426 6.808 -6.658 1.00 10.00 C ATOM 44 CZ3 TRP A 4 -13.702 7.990 -4.560 1.00 10.00 C ATOM 45 CH2 TRP A 4 -13.019 7.809 -5.771 1.00 10.00 C ATOM 0 H TRP A 4 -19.337 3.852 -3.257 1.00 10.00 H new ATOM 0 HA TRP A 4 -16.756 2.846 -4.263 1.00 10.00 H new ATOM 0 HB2 TRP A 4 -18.298 5.187 -4.348 1.00 10.00 H new ATOM 0 HB3 TRP A 4 -17.101 5.606 -3.138 1.00 10.00 H new ATOM 0 HD1 TRP A 4 -16.856 3.648 -6.497 1.00 10.00 H new ATOM 0 HE1 TRP A 4 -14.879 4.582 -7.875 1.00 10.00 H new ATOM 0 HE3 TRP A 4 -15.314 7.319 -3.295 1.00 10.00 H new ATOM 0 HZ2 TRP A 4 -12.903 6.663 -7.592 1.00 10.00 H new ATOM 0 HZ3 TRP A 4 -13.386 8.764 -3.876 1.00 10.00 H new ATOM 0 HH2 TRP A 4 -12.180 8.442 -6.018 1.00 10.00 H new ATOM 56 N LEU A 5 -17.098 3.294 -1.087 1.00 10.00 N ATOM 57 CA LEU A 5 -16.352 3.152 0.205 1.00 10.00 C ATOM 58 C LEU A 5 -15.479 1.891 0.164 1.00 10.00 C ATOM 59 O LEU A 5 -14.325 1.914 0.553 1.00 10.00 O ATOM 60 CB LEU A 5 -17.429 3.030 1.289 1.00 10.00 C ATOM 61 CG LEU A 5 -16.847 3.459 2.640 1.00 10.00 C ATOM 62 CD1 LEU A 5 -17.954 4.068 3.505 1.00 10.00 C ATOM 63 CD2 LEU A 5 -16.257 2.239 3.356 1.00 10.00 C ATOM 0 H LEU A 5 -18.113 3.342 -0.999 1.00 10.00 H new ATOM 0 HA LEU A 5 -15.691 3.997 0.395 1.00 10.00 H new ATOM 0 HB2 LEU A 5 -18.286 3.654 1.036 1.00 10.00 H new ATOM 0 HB3 LEU A 5 -17.788 2.002 1.346 1.00 10.00 H new ATOM 0 HG LEU A 5 -16.064 4.199 2.476 1.00 10.00 H new ATOM 0 HD11 LEU A 5 -17.539 4.373 4.466 1.00 10.00 H new ATOM 0 HD12 LEU A 5 -18.374 4.937 2.999 1.00 10.00 H new ATOM 0 HD13 LEU A 5 -18.738 3.328 3.667 1.00 10.00 H new ATOM 0 HD21 LEU A 5 -15.843 2.546 4.317 1.00 10.00 H new ATOM 0 HD22 LEU A 5 -17.040 1.498 3.518 1.00 10.00 H new ATOM 0 HD23 LEU A 5 -15.467 1.804 2.743 1.00 10.00 H new ATOM 75 N ARG A 6 -16.016 0.797 -0.325 1.00 10.00 N ATOM 76 CA ARG A 6 -15.212 -0.462 -0.415 1.00 10.00 C ATOM 77 C ARG A 6 -14.081 -0.276 -1.433 1.00 10.00 C ATOM 78 O ARG A 6 -12.973 -0.731 -1.226 1.00 10.00 O ATOM 79 CB ARG A 6 -16.191 -1.542 -0.885 1.00 10.00 C ATOM 80 CG ARG A 6 -15.584 -2.928 -0.635 1.00 10.00 C ATOM 81 CD ARG A 6 -16.491 -3.731 0.304 1.00 10.00 C ATOM 82 NE ARG A 6 -16.410 -3.032 1.620 1.00 10.00 N ATOM 83 CZ ARG A 6 -15.666 -3.520 2.577 1.00 10.00 C ATOM 84 NH1 ARG A 6 -16.097 -4.528 3.291 1.00 10.00 N ATOM 85 NH2 ARG A 6 -14.493 -2.999 2.819 1.00 10.00 N ATOM 0 H ARG A 6 -16.975 0.723 -0.665 1.00 10.00 H new ATOM 0 HA ARG A 6 -14.754 -0.731 0.537 1.00 10.00 H new ATOM 0 HB2 ARG A 6 -17.137 -1.446 -0.352 1.00 10.00 H new ATOM 0 HB3 ARG A 6 -16.408 -1.414 -1.946 1.00 10.00 H new ATOM 0 HG2 ARG A 6 -15.463 -3.458 -1.580 1.00 10.00 H new ATOM 0 HG3 ARG A 6 -14.591 -2.827 -0.197 1.00 10.00 H new ATOM 0 HD2 ARG A 6 -17.516 -3.757 -0.066 1.00 10.00 H new ATOM 0 HD3 ARG A 6 -16.156 -4.765 0.386 1.00 10.00 H new ATOM 0 HE ARG A 6 -16.936 -2.172 1.773 1.00 10.00 H new ATOM 0 HH11 ARG A 6 -17.014 -4.933 3.101 1.00 10.00 H new ATOM 0 HH12 ARG A 6 -15.516 -4.909 4.038 1.00 10.00 H new ATOM 0 HH21 ARG A 6 -14.159 -2.213 2.261 1.00 10.00 H new ATOM 0 HH22 ARG A 6 -13.911 -3.378 3.566 1.00 10.00 H new ATOM 99 N ASP A 7 -14.355 0.405 -2.525 1.00 10.00 N ATOM 100 CA ASP A 7 -13.297 0.643 -3.556 1.00 10.00 C ATOM 101 C ASP A 7 -12.099 1.356 -2.915 1.00 10.00 C ATOM 102 O ASP A 7 -10.960 1.007 -3.155 1.00 10.00 O ATOM 103 CB ASP A 7 -13.960 1.537 -4.614 1.00 10.00 C ATOM 104 CG ASP A 7 -12.895 2.100 -5.561 1.00 10.00 C ATOM 105 OD1 ASP A 7 -12.288 1.316 -6.271 1.00 10.00 O ATOM 106 OD2 ASP A 7 -12.705 3.305 -5.561 1.00 10.00 O ATOM 0 H ASP A 7 -15.267 0.805 -2.744 1.00 10.00 H new ATOM 0 HA ASP A 7 -12.923 -0.283 -3.992 1.00 10.00 H new ATOM 0 HB2 ASP A 7 -14.695 0.963 -5.179 1.00 10.00 H new ATOM 0 HB3 ASP A 7 -14.496 2.353 -4.129 1.00 10.00 H new ATOM 111 N ILE A 8 -12.354 2.346 -2.092 1.00 10.00 N ATOM 112 CA ILE A 8 -11.238 3.081 -1.419 1.00 10.00 C ATOM 113 C ILE A 8 -10.523 2.146 -0.434 1.00 10.00 C ATOM 114 O ILE A 8 -9.309 2.105 -0.379 1.00 10.00 O ATOM 115 CB ILE A 8 -11.910 4.245 -0.675 1.00 10.00 C ATOM 116 CG1 ILE A 8 -12.564 5.194 -1.687 1.00 10.00 C ATOM 117 CG2 ILE A 8 -10.863 5.018 0.135 1.00 10.00 C ATOM 118 CD1 ILE A 8 -13.726 5.931 -1.019 1.00 10.00 C ATOM 0 H ILE A 8 -13.290 2.677 -1.858 1.00 10.00 H new ATOM 0 HA ILE A 8 -10.489 3.439 -2.125 1.00 10.00 H new ATOM 0 HB ILE A 8 -12.669 3.846 -0.002 1.00 10.00 H new ATOM 0 HG12 ILE A 8 -11.830 5.910 -2.057 1.00 10.00 H new ATOM 0 HG13 ILE A 8 -12.923 4.632 -2.549 1.00 10.00 H new ATOM 0 HG21 ILE A 8 -11.345 5.842 0.660 1.00 10.00 H new ATOM 0 HG22 ILE A 8 -10.397 4.350 0.859 1.00 10.00 H new ATOM 0 HG23 ILE A 8 -10.101 5.413 -0.538 1.00 10.00 H new ATOM 0 HD11 ILE A 8 -14.191 6.605 -1.738 1.00 10.00 H new ATOM 0 HD12 ILE A 8 -14.463 5.208 -0.671 1.00 10.00 H new ATOM 0 HD13 ILE A 8 -13.353 6.506 -0.171 1.00 10.00 H new ATOM 130 N TRP A 9 -11.273 1.391 0.335 1.00 10.00 N ATOM 131 CA TRP A 9 -10.646 0.445 1.313 1.00 10.00 C ATOM 132 C TRP A 9 -9.824 -0.611 0.567 1.00 10.00 C ATOM 133 O TRP A 9 -8.749 -0.988 0.998 1.00 10.00 O ATOM 134 CB TRP A 9 -11.818 -0.211 2.054 1.00 10.00 C ATOM 135 CG TRP A 9 -11.902 0.327 3.449 1.00 10.00 C ATOM 136 CD1 TRP A 9 -12.153 -0.416 4.552 1.00 10.00 C ATOM 137 CD2 TRP A 9 -11.743 1.702 3.911 1.00 10.00 C ATOM 138 NE1 TRP A 9 -12.159 0.413 5.659 1.00 10.00 N ATOM 139 CE2 TRP A 9 -11.911 1.727 5.316 1.00 10.00 C ATOM 140 CE3 TRP A 9 -11.473 2.916 3.255 1.00 10.00 C ATOM 141 CZ2 TRP A 9 -11.814 2.914 6.042 1.00 10.00 C ATOM 142 CZ3 TRP A 9 -11.375 4.112 3.983 1.00 10.00 C ATOM 143 CH2 TRP A 9 -11.545 4.111 5.374 1.00 10.00 C ATOM 0 H TRP A 9 -12.293 1.389 0.327 1.00 10.00 H new ATOM 0 HA TRP A 9 -9.970 0.953 2.000 1.00 10.00 H new ATOM 0 HB2 TRP A 9 -12.750 -0.017 1.523 1.00 10.00 H new ATOM 0 HB3 TRP A 9 -11.685 -1.293 2.079 1.00 10.00 H new ATOM 0 HD1 TRP A 9 -12.321 -1.483 4.566 1.00 10.00 H new ATOM 0 HE1 TRP A 9 -12.326 0.093 6.613 1.00 10.00 H new ATOM 0 HE3 TRP A 9 -11.340 2.928 2.183 1.00 10.00 H new ATOM 0 HZ2 TRP A 9 -11.946 2.908 7.114 1.00 10.00 H new ATOM 0 HZ3 TRP A 9 -11.167 5.038 3.468 1.00 10.00 H new ATOM 0 HH2 TRP A 9 -11.468 5.034 5.929 1.00 10.00 H new ATOM 154 N ASP A 10 -10.319 -1.079 -0.555 1.00 10.00 N ATOM 155 CA ASP A 10 -9.570 -2.104 -1.346 1.00 10.00 C ATOM 156 C ASP A 10 -8.250 -1.508 -1.850 1.00 10.00 C ATOM 157 O ASP A 10 -7.202 -2.116 -1.735 1.00 10.00 O ATOM 158 CB ASP A 10 -10.493 -2.459 -2.518 1.00 10.00 C ATOM 159 CG ASP A 10 -10.344 -3.943 -2.861 1.00 10.00 C ATOM 160 OD1 ASP A 10 -10.599 -4.762 -1.993 1.00 10.00 O ATOM 161 OD2 ASP A 10 -9.980 -4.235 -3.987 1.00 10.00 O ATOM 0 H ASP A 10 -11.212 -0.793 -0.957 1.00 10.00 H new ATOM 0 HA ASP A 10 -9.317 -2.985 -0.756 1.00 10.00 H new ATOM 0 HB2 ASP A 10 -11.528 -2.238 -2.258 1.00 10.00 H new ATOM 0 HB3 ASP A 10 -10.245 -1.849 -3.386 1.00 10.00 H new ATOM 166 N TRP A 11 -8.292 -0.312 -2.391 1.00 10.00 N ATOM 167 CA TRP A 11 -7.038 0.335 -2.884 1.00 10.00 C ATOM 168 C TRP A 11 -6.125 0.670 -1.696 1.00 10.00 C ATOM 169 O TRP A 11 -4.924 0.478 -1.756 1.00 10.00 O ATOM 170 CB TRP A 11 -7.497 1.612 -3.598 1.00 10.00 C ATOM 171 CG TRP A 11 -6.311 2.320 -4.168 1.00 10.00 C ATOM 172 CD1 TRP A 11 -5.739 2.043 -5.363 1.00 10.00 C ATOM 173 CD2 TRP A 11 -5.542 3.413 -3.590 1.00 10.00 C ATOM 174 NE1 TRP A 11 -4.668 2.898 -5.554 1.00 10.00 N ATOM 175 CE2 TRP A 11 -4.507 3.761 -4.489 1.00 10.00 C ATOM 176 CE3 TRP A 11 -5.641 4.130 -2.383 1.00 10.00 C ATOM 177 CZ2 TRP A 11 -3.602 4.785 -4.202 1.00 10.00 C ATOM 178 CZ3 TRP A 11 -4.733 5.160 -2.092 1.00 10.00 C ATOM 179 CH2 TRP A 11 -3.716 5.487 -2.999 1.00 10.00 C ATOM 0 H TRP A 11 -9.140 0.241 -2.511 1.00 10.00 H new ATOM 0 HA TRP A 11 -6.469 -0.312 -3.552 1.00 10.00 H new ATOM 0 HB2 TRP A 11 -8.202 1.364 -4.392 1.00 10.00 H new ATOM 0 HB3 TRP A 11 -8.021 2.264 -2.899 1.00 10.00 H new ATOM 0 HD1 TRP A 11 -6.065 1.280 -6.054 1.00 10.00 H new ATOM 0 HE1 TRP A 11 -4.071 2.891 -6.381 1.00 10.00 H new ATOM 0 HE3 TRP A 11 -6.420 3.886 -1.676 1.00 10.00 H new ATOM 0 HZ2 TRP A 11 -2.820 5.033 -4.904 1.00 10.00 H new ATOM 0 HZ3 TRP A 11 -4.819 5.704 -1.163 1.00 10.00 H new ATOM 0 HH2 TRP A 11 -3.021 6.281 -2.769 1.00 10.00 H new ATOM 190 N ILE A 12 -6.690 1.154 -0.613 1.00 10.00 N ATOM 191 CA ILE A 12 -5.862 1.479 0.592 1.00 10.00 C ATOM 192 C ILE A 12 -5.111 0.217 1.048 1.00 10.00 C ATOM 193 O ILE A 12 -3.971 0.282 1.470 1.00 10.00 O ATOM 194 CB ILE A 12 -6.870 1.956 1.653 1.00 10.00 C ATOM 195 CG1 ILE A 12 -7.171 3.443 1.428 1.00 10.00 C ATOM 196 CG2 ILE A 12 -6.293 1.768 3.061 1.00 10.00 C ATOM 197 CD1 ILE A 12 -8.400 3.851 2.245 1.00 10.00 C ATOM 0 H ILE A 12 -7.688 1.337 -0.513 1.00 10.00 H new ATOM 0 HA ILE A 12 -5.108 2.242 0.402 1.00 10.00 H new ATOM 0 HB ILE A 12 -7.784 1.368 1.563 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -6.311 4.046 1.721 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -7.347 3.632 0.369 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -7.018 2.110 3.800 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -6.076 0.713 3.227 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -5.375 2.347 3.158 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -8.610 4.908 2.082 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -9.259 3.258 1.931 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -8.207 3.678 3.304 1.00 10.00 H new ATOM 209 N CYS A 13 -5.739 -0.932 0.939 1.00 10.00 N ATOM 210 CA CYS A 13 -5.063 -2.206 1.335 1.00 10.00 C ATOM 211 C CYS A 13 -3.962 -2.542 0.318 1.00 10.00 C ATOM 212 O CYS A 13 -2.891 -2.996 0.678 1.00 10.00 O ATOM 213 CB CYS A 13 -6.167 -3.269 1.309 1.00 10.00 C ATOM 214 SG CYS A 13 -5.564 -4.787 2.089 1.00 10.00 S ATOM 0 H CYS A 13 -6.692 -1.040 0.592 1.00 10.00 H new ATOM 0 HA CYS A 13 -4.590 -2.143 2.315 1.00 10.00 H new ATOM 0 HB2 CYS A 13 -7.050 -2.904 1.834 1.00 10.00 H new ATOM 0 HB3 CYS A 13 -6.468 -3.471 0.281 1.00 10.00 H new ATOM 0 HG CYS A 13 -6.501 -5.687 2.068 1.00 10.00 H new ATOM 220 N GLU A 14 -4.217 -2.305 -0.950 1.00 10.00 N ATOM 221 CA GLU A 14 -3.189 -2.588 -1.996 1.00 10.00 C ATOM 222 C GLU A 14 -1.939 -1.739 -1.736 1.00 10.00 C ATOM 223 O GLU A 14 -0.823 -2.218 -1.809 1.00 10.00 O ATOM 224 CB GLU A 14 -3.849 -2.187 -3.318 1.00 10.00 C ATOM 225 CG GLU A 14 -4.465 -3.421 -3.986 1.00 10.00 C ATOM 226 CD GLU A 14 -5.789 -3.043 -4.662 1.00 10.00 C ATOM 227 OE1 GLU A 14 -5.807 -2.060 -5.388 1.00 10.00 O ATOM 228 OE2 GLU A 14 -6.761 -3.747 -4.447 1.00 10.00 O ATOM 0 H GLU A 14 -5.096 -1.927 -1.302 1.00 10.00 H new ATOM 0 HA GLU A 14 -2.873 -3.631 -2.003 1.00 10.00 H new ATOM 0 HB2 GLU A 14 -4.619 -1.437 -3.138 1.00 10.00 H new ATOM 0 HB3 GLU A 14 -3.112 -1.734 -3.980 1.00 10.00 H new ATOM 0 HG2 GLU A 14 -3.774 -3.829 -4.723 1.00 10.00 H new ATOM 0 HG3 GLU A 14 -4.635 -4.200 -3.243 1.00 10.00 H new ATOM 235 N VAL A 15 -2.131 -0.484 -1.416 1.00 10.00 N ATOM 236 CA VAL A 15 -0.970 0.416 -1.128 1.00 10.00 C ATOM 237 C VAL A 15 -0.270 -0.037 0.161 1.00 10.00 C ATOM 238 O VAL A 15 0.937 0.043 0.276 1.00 10.00 O ATOM 239 CB VAL A 15 -1.571 1.818 -0.957 1.00 10.00 C ATOM 240 CG1 VAL A 15 -0.473 2.805 -0.545 1.00 10.00 C ATOM 241 CG2 VAL A 15 -2.189 2.277 -2.281 1.00 10.00 C ATOM 0 H VAL A 15 -3.047 -0.041 -1.341 1.00 10.00 H new ATOM 0 HA VAL A 15 -0.225 0.398 -1.923 1.00 10.00 H new ATOM 0 HB VAL A 15 -2.340 1.785 -0.185 1.00 10.00 H new ATOM 0 HG11 VAL A 15 -0.904 3.799 -0.425 1.00 10.00 H new ATOM 0 HG12 VAL A 15 -0.031 2.484 0.398 1.00 10.00 H new ATOM 0 HG13 VAL A 15 0.298 2.834 -1.315 1.00 10.00 H new ATOM 0 HG21 VAL A 15 -2.615 3.273 -2.158 1.00 10.00 H new ATOM 0 HG22 VAL A 15 -1.419 2.305 -3.052 1.00 10.00 H new ATOM 0 HG23 VAL A 15 -2.973 1.581 -2.577 1.00 10.00 H new ATOM 251 N LEU A 16 -1.020 -0.524 1.125 1.00 10.00 N ATOM 252 CA LEU A 16 -0.398 -0.998 2.401 1.00 10.00 C ATOM 253 C LEU A 16 0.609 -2.116 2.099 1.00 10.00 C ATOM 254 O LEU A 16 1.715 -2.122 2.609 1.00 10.00 O ATOM 255 CB LEU A 16 -1.563 -1.528 3.243 1.00 10.00 C ATOM 256 CG LEU A 16 -1.084 -1.820 4.667 1.00 10.00 C ATOM 257 CD1 LEU A 16 -0.894 -0.505 5.425 1.00 10.00 C ATOM 258 CD2 LEU A 16 -2.125 -2.678 5.389 1.00 10.00 C ATOM 0 H LEU A 16 -2.035 -0.613 1.081 1.00 10.00 H new ATOM 0 HA LEU A 16 0.144 -0.208 2.922 1.00 10.00 H new ATOM 0 HB2 LEU A 16 -2.371 -0.796 3.264 1.00 10.00 H new ATOM 0 HB3 LEU A 16 -1.966 -2.435 2.792 1.00 10.00 H new ATOM 0 HG LEU A 16 -0.135 -2.355 4.627 1.00 10.00 H new ATOM 0 HD11 LEU A 16 -0.553 -0.715 6.439 1.00 10.00 H new ATOM 0 HD12 LEU A 16 -0.152 0.107 4.912 1.00 10.00 H new ATOM 0 HD13 LEU A 16 -1.842 0.032 5.465 1.00 10.00 H new ATOM 0 HD21 LEU A 16 -1.785 -2.886 6.403 1.00 10.00 H new ATOM 0 HD22 LEU A 16 -3.074 -2.143 5.427 1.00 10.00 H new ATOM 0 HD23 LEU A 16 -2.259 -3.617 4.851 1.00 10.00 H new ATOM 270 N SER A 17 0.238 -3.048 1.253 1.00 10.00 N ATOM 271 CA SER A 17 1.177 -4.152 0.890 1.00 10.00 C ATOM 272 C SER A 17 2.355 -3.575 0.099 1.00 10.00 C ATOM 273 O SER A 17 3.484 -4.005 0.246 1.00 10.00 O ATOM 274 CB SER A 17 0.360 -5.108 0.017 1.00 10.00 C ATOM 275 OG SER A 17 1.078 -6.324 -0.149 1.00 10.00 O ATOM 0 H SER A 17 -0.675 -3.090 0.799 1.00 10.00 H new ATOM 0 HA SER A 17 1.584 -4.661 1.764 1.00 10.00 H new ATOM 0 HB2 SER A 17 -0.607 -5.304 0.479 1.00 10.00 H new ATOM 0 HB3 SER A 17 0.163 -4.653 -0.954 1.00 10.00 H new ATOM 0 HG SER A 17 0.556 -6.938 -0.706 1.00 10.00 H new ATOM 281 N ASP A 18 2.097 -2.592 -0.731 1.00 10.00 N ATOM 282 CA ASP A 18 3.193 -1.967 -1.527 1.00 10.00 C ATOM 283 C ASP A 18 4.092 -1.131 -0.614 1.00 10.00 C ATOM 284 O ASP A 18 5.295 -1.147 -0.754 1.00 10.00 O ATOM 285 CB ASP A 18 2.488 -1.071 -2.549 1.00 10.00 C ATOM 286 CG ASP A 18 3.530 -0.377 -3.430 1.00 10.00 C ATOM 287 OD1 ASP A 18 4.021 0.668 -3.030 1.00 10.00 O ATOM 288 OD2 ASP A 18 3.820 -0.903 -4.492 1.00 10.00 O ATOM 0 H ASP A 18 1.170 -2.197 -0.890 1.00 10.00 H new ATOM 0 HA ASP A 18 3.827 -2.711 -2.010 1.00 10.00 H new ATOM 0 HB2 ASP A 18 1.814 -1.666 -3.166 1.00 10.00 H new ATOM 0 HB3 ASP A 18 1.878 -0.328 -2.036 1.00 10.00 H new ATOM 293 N PHE A 19 3.516 -0.405 0.317 1.00 10.00 N ATOM 294 CA PHE A 19 4.337 0.437 1.247 1.00 10.00 C ATOM 295 C PHE A 19 5.478 -0.393 1.843 1.00 10.00 C ATOM 296 O PHE A 19 6.615 0.040 1.877 1.00 10.00 O ATOM 297 CB PHE A 19 3.371 0.885 2.349 1.00 10.00 C ATOM 298 CG PHE A 19 3.522 2.371 2.580 1.00 10.00 C ATOM 299 CD1 PHE A 19 4.717 2.880 3.104 1.00 10.00 C ATOM 300 CD2 PHE A 19 2.469 3.239 2.268 1.00 10.00 C ATOM 301 CE1 PHE A 19 4.858 4.256 3.318 1.00 10.00 C ATOM 302 CE2 PHE A 19 2.609 4.616 2.482 1.00 10.00 C ATOM 303 CZ PHE A 19 3.805 5.125 3.006 1.00 10.00 C ATOM 0 H PHE A 19 2.509 -0.360 0.473 1.00 10.00 H new ATOM 0 HA PHE A 19 4.790 1.286 0.736 1.00 10.00 H new ATOM 0 HB2 PHE A 19 2.345 0.653 2.064 1.00 10.00 H new ATOM 0 HB3 PHE A 19 3.576 0.340 3.271 1.00 10.00 H new ATOM 0 HD1 PHE A 19 5.530 2.210 3.343 1.00 10.00 H new ATOM 0 HD2 PHE A 19 1.548 2.847 1.862 1.00 10.00 H new ATOM 0 HE1 PHE A 19 5.779 4.648 3.724 1.00 10.00 H new ATOM 0 HE2 PHE A 19 1.796 5.285 2.243 1.00 10.00 H new ATOM 0 HZ PHE A 19 3.915 6.187 3.169 1.00 10.00 H new ATOM 313 N LYS A 20 5.182 -1.587 2.296 1.00 10.00 N ATOM 314 CA LYS A 20 6.249 -2.462 2.877 1.00 10.00 C ATOM 315 C LYS A 20 7.325 -2.739 1.816 1.00 10.00 C ATOM 316 O LYS A 20 8.510 -2.629 2.077 1.00 10.00 O ATOM 317 CB LYS A 20 5.531 -3.757 3.275 1.00 10.00 C ATOM 318 CG LYS A 20 6.524 -4.720 3.936 1.00 10.00 C ATOM 319 CD LYS A 20 6.636 -6.000 3.099 1.00 10.00 C ATOM 320 CE LYS A 20 5.602 -7.024 3.583 1.00 10.00 C ATOM 321 NZ LYS A 20 5.323 -7.889 2.399 1.00 10.00 N ATOM 0 H LYS A 20 4.247 -1.994 2.289 1.00 10.00 H new ATOM 0 HA LYS A 20 6.749 -2.003 3.730 1.00 10.00 H new ATOM 0 HB2 LYS A 20 4.714 -3.534 3.962 1.00 10.00 H new ATOM 0 HB3 LYS A 20 5.089 -4.224 2.395 1.00 10.00 H new ATOM 0 HG2 LYS A 20 7.501 -4.246 4.025 1.00 10.00 H new ATOM 0 HG3 LYS A 20 6.194 -4.962 4.946 1.00 10.00 H new ATOM 0 HD2 LYS A 20 6.472 -5.773 2.046 1.00 10.00 H new ATOM 0 HD3 LYS A 20 7.640 -6.415 3.183 1.00 10.00 H new ATOM 0 HE2 LYS A 20 5.989 -7.610 4.416 1.00 10.00 H new ATOM 0 HE3 LYS A 20 4.695 -6.532 3.934 1.00 10.00 H new ATOM 0 HZ1 LYS A 20 4.623 -8.614 2.656 1.00 10.00 H new ATOM 0 HZ2 LYS A 20 4.949 -7.306 1.623 1.00 10.00 H new ATOM 0 HZ3 LYS A 20 6.203 -8.351 2.091 1.00 10.00 H new ATOM 335 N THR A 21 6.917 -3.084 0.617 1.00 10.00 N ATOM 336 CA THR A 21 7.909 -3.357 -0.469 1.00 10.00 C ATOM 337 C THR A 21 8.558 -2.045 -0.926 1.00 10.00 C ATOM 338 O THR A 21 9.729 -2.007 -1.239 1.00 10.00 O ATOM 339 CB THR A 21 7.103 -3.993 -1.609 1.00 10.00 C ATOM 340 OG1 THR A 21 6.234 -4.988 -1.081 1.00 10.00 O ATOM 341 CG2 THR A 21 8.056 -4.636 -2.618 1.00 10.00 C ATOM 0 H THR A 21 5.939 -3.188 0.345 1.00 10.00 H new ATOM 0 HA THR A 21 8.714 -4.013 -0.137 1.00 10.00 H new ATOM 0 HB THR A 21 6.515 -3.222 -2.106 1.00 10.00 H new ATOM 0 HG1 THR A 21 5.719 -5.392 -1.810 1.00 10.00 H new ATOM 0 HG21 THR A 21 7.480 -5.087 -3.426 1.00 10.00 H new ATOM 0 HG22 THR A 21 8.721 -3.875 -3.027 1.00 10.00 H new ATOM 0 HG23 THR A 21 8.647 -5.405 -2.121 1.00 10.00 H new ATOM 349 N TRP A 22 7.806 -0.970 -0.950 1.00 10.00 N ATOM 350 CA TRP A 22 8.376 0.349 -1.365 1.00 10.00 C ATOM 351 C TRP A 22 9.561 0.700 -0.464 1.00 10.00 C ATOM 352 O TRP A 22 10.618 1.077 -0.929 1.00 10.00 O ATOM 353 CB TRP A 22 7.240 1.355 -1.158 1.00 10.00 C ATOM 354 CG TRP A 22 7.542 2.617 -1.900 1.00 10.00 C ATOM 355 CD1 TRP A 22 7.328 2.815 -3.221 1.00 10.00 C ATOM 356 CD2 TRP A 22 8.108 3.858 -1.387 1.00 10.00 C ATOM 357 NE1 TRP A 22 7.727 4.098 -3.551 1.00 10.00 N ATOM 358 CE2 TRP A 22 8.215 4.781 -2.453 1.00 10.00 C ATOM 359 CE3 TRP A 22 8.534 4.268 -0.110 1.00 10.00 C ATOM 360 CZ2 TRP A 22 8.725 6.064 -2.261 1.00 10.00 C ATOM 361 CZ3 TRP A 22 9.049 5.560 0.087 1.00 10.00 C ATOM 362 CH2 TRP A 22 9.144 6.456 -0.987 1.00 10.00 C ATOM 0 H TRP A 22 6.818 -0.951 -0.699 1.00 10.00 H new ATOM 0 HA TRP A 22 8.734 0.344 -2.395 1.00 10.00 H new ATOM 0 HB2 TRP A 22 6.299 0.932 -1.509 1.00 10.00 H new ATOM 0 HB3 TRP A 22 7.118 1.567 -0.096 1.00 10.00 H new ATOM 0 HD1 TRP A 22 6.914 2.090 -3.906 1.00 10.00 H new ATOM 0 HE1 TRP A 22 7.668 4.492 -4.490 1.00 10.00 H new ATOM 0 HE3 TRP A 22 8.465 3.585 0.724 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 8.796 6.751 -3.092 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 9.373 5.865 1.071 1.00 10.00 H new ATOM 0 HH2 TRP A 22 9.541 7.448 -0.830 1.00 10.00 H new ATOM 373 N LEU A 23 9.381 0.564 0.826 1.00 10.00 N ATOM 374 CA LEU A 23 10.487 0.873 1.786 1.00 10.00 C ATOM 375 C LEU A 23 11.695 -0.036 1.517 1.00 10.00 C ATOM 376 O LEU A 23 12.827 0.406 1.555 1.00 10.00 O ATOM 377 CB LEU A 23 9.906 0.599 3.179 1.00 10.00 C ATOM 378 CG LEU A 23 9.640 1.927 3.895 1.00 10.00 C ATOM 379 CD1 LEU A 23 8.269 2.467 3.484 1.00 10.00 C ATOM 380 CD2 LEU A 23 9.664 1.704 5.409 1.00 10.00 C ATOM 0 H LEU A 23 8.512 0.251 1.258 1.00 10.00 H new ATOM 0 HA LEU A 23 10.835 1.901 1.690 1.00 10.00 H new ATOM 0 HB2 LEU A 23 8.981 0.029 3.093 1.00 10.00 H new ATOM 0 HB3 LEU A 23 10.600 -0.007 3.761 1.00 10.00 H new ATOM 0 HG LEU A 23 10.411 2.646 3.619 1.00 10.00 H new ATOM 0 HD11 LEU A 23 8.082 3.412 3.995 1.00 10.00 H new ATOM 0 HD12 LEU A 23 8.249 2.627 2.406 1.00 10.00 H new ATOM 0 HD13 LEU A 23 7.497 1.748 3.758 1.00 10.00 H new ATOM 0 HD21 LEU A 23 9.475 2.649 5.919 1.00 10.00 H new ATOM 0 HD22 LEU A 23 8.894 0.983 5.683 1.00 10.00 H new ATOM 0 HD23 LEU A 23 10.641 1.321 5.705 1.00 10.00 H new ATOM 392 N LYS A 24 11.464 -1.300 1.239 1.00 10.00 N ATOM 393 CA LYS A 24 12.604 -2.230 0.959 1.00 10.00 C ATOM 394 C LYS A 24 13.178 -1.955 -0.436 1.00 10.00 C ATOM 395 O LYS A 24 14.379 -1.961 -0.633 1.00 10.00 O ATOM 396 CB LYS A 24 12.005 -3.637 1.028 1.00 10.00 C ATOM 397 CG LYS A 24 13.112 -4.650 1.331 1.00 10.00 C ATOM 398 CD LYS A 24 13.119 -4.973 2.829 1.00 10.00 C ATOM 399 CE LYS A 24 13.014 -6.489 3.030 1.00 10.00 C ATOM 400 NZ LYS A 24 11.561 -6.803 2.893 1.00 10.00 N ATOM 0 H LYS A 24 10.538 -1.725 1.194 1.00 10.00 H new ATOM 0 HA LYS A 24 13.421 -2.105 1.670 1.00 10.00 H new ATOM 0 HB2 LYS A 24 11.237 -3.679 1.801 1.00 10.00 H new ATOM 0 HB3 LYS A 24 11.520 -3.884 0.083 1.00 10.00 H new ATOM 0 HG2 LYS A 24 12.953 -5.561 0.753 1.00 10.00 H new ATOM 0 HG3 LYS A 24 14.079 -4.247 1.031 1.00 10.00 H new ATOM 0 HD2 LYS A 24 14.034 -4.598 3.288 1.00 10.00 H new ATOM 0 HD3 LYS A 24 12.286 -4.472 3.323 1.00 10.00 H new ATOM 0 HE2 LYS A 24 13.605 -7.026 2.288 1.00 10.00 H new ATOM 0 HE3 LYS A 24 13.390 -6.783 4.010 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 11.413 -7.825 3.019 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 11.024 -6.284 3.617 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 11.232 -6.520 1.948 1.00 10.00 H new ATOM 414 N ALA A 25 12.326 -1.708 -1.403 1.00 10.00 N ATOM 415 CA ALA A 25 12.809 -1.421 -2.789 1.00 10.00 C ATOM 416 C ALA A 25 13.618 -0.119 -2.803 1.00 10.00 C ATOM 417 O ALA A 25 14.633 -0.020 -3.465 1.00 10.00 O ATOM 418 CB ALA A 25 11.541 -1.274 -3.634 1.00 10.00 C ATOM 0 H ALA A 25 11.312 -1.693 -1.290 1.00 10.00 H new ATOM 0 HA ALA A 25 13.460 -2.208 -3.171 1.00 10.00 H new ATOM 0 HB1 ALA A 25 11.815 -1.062 -4.667 1.00 10.00 H new ATOM 0 HB2 ALA A 25 10.968 -2.200 -3.594 1.00 10.00 H new ATOM 0 HB3 ALA A 25 10.936 -0.456 -3.243 1.00 10.00 H new ATOM 424 N LYS A 26 13.185 0.872 -2.060 1.00 10.00 N ATOM 425 CA LYS A 26 13.937 2.164 -2.013 1.00 10.00 C ATOM 426 C LYS A 26 14.941 2.148 -0.847 1.00 10.00 C ATOM 427 O LYS A 26 15.222 3.168 -0.246 1.00 10.00 O ATOM 428 CB LYS A 26 12.865 3.237 -1.794 1.00 10.00 C ATOM 429 CG LYS A 26 13.348 4.571 -2.370 1.00 10.00 C ATOM 430 CD LYS A 26 12.240 5.621 -2.228 1.00 10.00 C ATOM 431 CE LYS A 26 12.849 6.959 -1.791 1.00 10.00 C ATOM 432 NZ LYS A 26 12.709 6.988 -0.306 1.00 10.00 N ATOM 0 H LYS A 26 12.343 0.841 -1.485 1.00 10.00 H new ATOM 0 HA LYS A 26 14.512 2.346 -2.921 1.00 10.00 H new ATOM 0 HB2 LYS A 26 11.933 2.938 -2.274 1.00 10.00 H new ATOM 0 HB3 LYS A 26 12.655 3.344 -0.730 1.00 10.00 H new ATOM 0 HG2 LYS A 26 14.246 4.901 -1.847 1.00 10.00 H new ATOM 0 HG3 LYS A 26 13.617 4.450 -3.419 1.00 10.00 H new ATOM 0 HD2 LYS A 26 11.716 5.741 -3.176 1.00 10.00 H new ATOM 0 HD3 LYS A 26 11.503 5.290 -1.496 1.00 10.00 H new ATOM 0 HE2 LYS A 26 13.895 7.031 -2.089 1.00 10.00 H new ATOM 0 HE3 LYS A 26 12.328 7.798 -2.252 1.00 10.00 H new ATOM 0 HZ1 LYS A 26 13.105 7.876 0.063 1.00 10.00 H new ATOM 0 HZ2 LYS A 26 11.703 6.925 -0.051 1.00 10.00 H new ATOM 0 HZ3 LYS A 26 13.222 6.183 0.107 1.00 10.00 H new ATOM 446 N LEU A 27 15.481 0.995 -0.527 1.00 10.00 N ATOM 447 CA LEU A 27 16.465 0.903 0.593 1.00 10.00 C ATOM 448 C LEU A 27 17.859 0.584 0.040 1.00 10.00 C ATOM 449 O LEU A 27 18.818 1.280 0.316 1.00 10.00 O ATOM 450 CB LEU A 27 15.960 -0.246 1.474 1.00 10.00 C ATOM 451 CG LEU A 27 15.947 0.192 2.940 1.00 10.00 C ATOM 452 CD1 LEU A 27 15.112 -0.794 3.760 1.00 10.00 C ATOM 453 CD2 LEU A 27 17.380 0.217 3.479 1.00 10.00 C ATOM 0 H LEU A 27 15.280 0.112 -0.997 1.00 10.00 H new ATOM 0 HA LEU A 27 16.547 1.836 1.151 1.00 10.00 H new ATOM 0 HB2 LEU A 27 14.957 -0.540 1.164 1.00 10.00 H new ATOM 0 HB3 LEU A 27 16.601 -1.119 1.351 1.00 10.00 H new ATOM 0 HG LEU A 27 15.512 1.189 3.017 1.00 10.00 H new ATOM 0 HD11 LEU A 27 15.103 -0.482 4.804 1.00 10.00 H new ATOM 0 HD12 LEU A 27 14.091 -0.812 3.378 1.00 10.00 H new ATOM 0 HD13 LEU A 27 15.546 -1.791 3.683 1.00 10.00 H new ATOM 0 HD21 LEU A 27 17.371 0.529 4.523 1.00 10.00 H new ATOM 0 HD22 LEU A 27 17.815 -0.779 3.402 1.00 10.00 H new ATOM 0 HD23 LEU A 27 17.976 0.919 2.896 1.00 10.00 H new ATOM 465 N MET A 28 17.973 -0.467 -0.739 1.00 10.00 N ATOM 466 CA MET A 28 19.302 -0.846 -1.316 1.00 10.00 C ATOM 467 C MET A 28 19.848 0.274 -2.220 1.00 10.00 C ATOM 468 O MET A 28 20.944 0.751 -1.995 1.00 10.00 O ATOM 469 CB MET A 28 19.045 -2.123 -2.126 1.00 10.00 C ATOM 470 CG MET A 28 19.665 -3.323 -1.406 1.00 10.00 C ATOM 471 SD MET A 28 18.887 -4.847 -1.994 1.00 10.00 S ATOM 472 CE MET A 28 17.848 -5.150 -0.543 1.00 10.00 C ATOM 0 H MET A 28 17.200 -1.080 -1.000 1.00 10.00 H new ATOM 0 HA MET A 28 20.049 -1.004 -0.538 1.00 10.00 H new ATOM 0 HB2 MET A 28 17.973 -2.276 -2.252 1.00 10.00 H new ATOM 0 HB3 MET A 28 19.472 -2.025 -3.124 1.00 10.00 H new ATOM 0 HG2 MET A 28 20.739 -3.356 -1.590 1.00 10.00 H new ATOM 0 HG3 MET A 28 19.529 -3.225 -0.329 1.00 10.00 H new ATOM 0 HE1 MET A 28 17.269 -6.061 -0.694 1.00 10.00 H new ATOM 0 HE2 MET A 28 18.479 -5.262 0.339 1.00 10.00 H new ATOM 0 HE3 MET A 28 17.169 -4.309 -0.399 1.00 10.00 H new ATOM 482 N PRO A 29 19.073 0.664 -3.214 1.00 10.00 N ATOM 483 CA PRO A 29 19.514 1.741 -4.139 1.00 10.00 C ATOM 484 C PRO A 29 19.462 3.115 -3.449 1.00 10.00 C ATOM 485 O PRO A 29 20.476 3.628 -3.013 1.00 10.00 O ATOM 486 CB PRO A 29 18.518 1.655 -5.295 1.00 10.00 C ATOM 487 CG PRO A 29 17.294 1.014 -4.718 1.00 10.00 C ATOM 488 CD PRO A 29 17.739 0.150 -3.565 1.00 10.00 C ATOM 0 HA PRO A 29 20.546 1.623 -4.469 1.00 10.00 H new ATOM 0 HB2 PRO A 29 18.293 2.644 -5.694 1.00 10.00 H new ATOM 0 HB3 PRO A 29 18.921 1.064 -6.117 1.00 10.00 H new ATOM 0 HG2 PRO A 29 16.587 1.772 -4.380 1.00 10.00 H new ATOM 0 HG3 PRO A 29 16.783 0.415 -5.472 1.00 10.00 H new ATOM 0 HD2 PRO A 29 17.050 0.225 -2.723 1.00 10.00 H new ATOM 0 HD3 PRO A 29 17.781 -0.901 -3.850 1.00 10.00 H new ATOM 496 N GLN A 30 18.293 3.707 -3.350 1.00 10.00 N ATOM 497 CA GLN A 30 18.156 5.049 -2.690 1.00 10.00 C ATOM 498 C GLN A 30 18.978 6.112 -3.442 1.00 10.00 C ATOM 499 O GLN A 30 19.815 6.789 -2.870 1.00 10.00 O ATOM 500 CB GLN A 30 18.680 4.852 -1.260 1.00 10.00 C ATOM 501 CG GLN A 30 17.691 5.455 -0.261 1.00 10.00 C ATOM 502 CD GLN A 30 18.254 5.324 1.156 1.00 10.00 C ATOM 503 OE1 GLN A 30 18.813 6.261 1.688 1.00 10.00 O ATOM 504 NE2 GLN A 30 18.131 4.194 1.796 1.00 10.00 N ATOM 0 H GLN A 30 17.420 3.314 -3.701 1.00 10.00 H new ATOM 0 HA GLN A 30 17.125 5.403 -2.694 1.00 10.00 H new ATOM 0 HB2 GLN A 30 18.816 3.790 -1.055 1.00 10.00 H new ATOM 0 HB3 GLN A 30 19.656 5.326 -1.151 1.00 10.00 H new ATOM 0 HG2 GLN A 30 17.513 6.504 -0.497 1.00 10.00 H new ATOM 0 HG3 GLN A 30 16.730 4.945 -0.331 1.00 10.00 H new ATOM 0 HE21 GLN A 30 17.662 3.405 1.352 1.00 10.00 H new ATOM 0 HE22 GLN A 30 18.504 4.100 2.741 1.00 10.00 H new ATOM 513 N LEU A 31 18.735 6.268 -4.722 1.00 10.00 N ATOM 514 CA LEU A 31 19.490 7.286 -5.518 1.00 10.00 C ATOM 515 C LEU A 31 18.520 8.204 -6.275 1.00 10.00 C ATOM 516 O LEU A 31 18.719 9.406 -6.231 1.00 10.00 O ATOM 517 CB LEU A 31 20.342 6.475 -6.500 1.00 10.00 C ATOM 518 CG LEU A 31 21.725 6.223 -5.894 1.00 10.00 C ATOM 519 CD1 LEU A 31 22.378 5.027 -6.589 1.00 10.00 C ATOM 520 CD2 LEU A 31 22.601 7.464 -6.088 1.00 10.00 C ATOM 521 OXT LEU A 31 17.596 7.688 -6.887 1.00 10.00 O ATOM 0 H LEU A 31 18.045 5.733 -5.250 1.00 10.00 H new ATOM 0 HA LEU A 31 20.101 7.929 -4.884 1.00 10.00 H new ATOM 0 HB2 LEU A 31 19.854 5.527 -6.723 1.00 10.00 H new ATOM 0 HB3 LEU A 31 20.440 7.013 -7.443 1.00 10.00 H new ATOM 0 HG LEU A 31 21.621 6.013 -4.830 1.00 10.00 H new ATOM 0 HD11 LEU A 31 23.363 4.848 -6.157 1.00 10.00 H new ATOM 0 HD12 LEU A 31 21.756 4.143 -6.452 1.00 10.00 H new ATOM 0 HD13 LEU A 31 22.482 5.237 -7.654 1.00 10.00 H new ATOM 0 HD21 LEU A 31 23.586 7.285 -5.657 1.00 10.00 H new ATOM 0 HD22 LEU A 31 22.704 7.674 -7.153 1.00 10.00 H new ATOM 0 HD23 LEU A 31 22.138 8.317 -5.593 1.00 10.00 H new TER 533 LEU A 31