USER MOD reduce.3.24.130724 H: found=0, std=0, add=266, rem=0, adj=9 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+ -109:sc= 0.0921 (180deg=0.00376) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 20:sc= 0.238 USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0.0193 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0122 USER MOD Single : A 24 LYS NZ :NH3+ -178:sc= 1.27 (180deg=1.27) USER MOD Single : A 26 LYS NZ :NH3+ 153:sc= -0.0182 (180deg=-0.257) USER MOD Single : A 28 MET CE :methyl -152:sc= 0 (180deg=-0.00909) USER MOD Single : A 30 GLN : amide:sc= -0.146 X(o=-0.15,f=-0.63) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -23.372 8.384 2.224 1.00 10.00 N ATOM 2 CA SER A 1 -22.391 7.318 1.853 1.00 10.00 C ATOM 3 C SER A 1 -22.530 6.961 0.367 1.00 10.00 C ATOM 4 O SER A 1 -23.525 7.269 -0.264 1.00 10.00 O ATOM 5 CB SER A 1 -22.750 6.115 2.731 1.00 10.00 C ATOM 6 OG SER A 1 -24.100 5.737 2.485 1.00 10.00 O ATOM 0 H1 SER A 1 -22.866 9.276 2.396 1.00 10.00 H new ATOM 0 H2 SER A 1 -24.052 8.515 1.448 1.00 10.00 H new ATOM 0 H3 SER A 1 -23.881 8.103 3.086 1.00 10.00 H new ATOM 0 HA SER A 1 -21.361 7.638 2.008 1.00 10.00 H new ATOM 0 HB2 SER A 1 -22.082 5.281 2.515 1.00 10.00 H new ATOM 0 HB3 SER A 1 -22.617 6.366 3.783 1.00 10.00 H new ATOM 0 HG SER A 1 -24.331 4.966 3.045 1.00 10.00 H new ATOM 14 N GLY A 2 -21.539 6.312 -0.193 1.00 10.00 N ATOM 15 CA GLY A 2 -21.610 5.932 -1.636 1.00 10.00 C ATOM 16 C GLY A 2 -20.203 5.642 -2.162 1.00 10.00 C ATOM 17 O GLY A 2 -19.469 6.550 -2.501 1.00 10.00 O ATOM 0 H GLY A 2 -20.685 6.030 0.287 1.00 10.00 H new ATOM 0 HA2 GLY A 2 -22.243 5.054 -1.760 1.00 10.00 H new ATOM 0 HA3 GLY A 2 -22.065 6.737 -2.212 1.00 10.00 H new ATOM 21 N SER A 3 -19.834 4.377 -2.229 1.00 10.00 N ATOM 22 CA SER A 3 -18.474 3.971 -2.734 1.00 10.00 C ATOM 23 C SER A 3 -17.381 4.963 -2.294 1.00 10.00 C ATOM 24 O SER A 3 -16.533 5.353 -3.075 1.00 10.00 O ATOM 25 CB SER A 3 -18.600 3.934 -4.263 1.00 10.00 C ATOM 26 OG SER A 3 -19.068 5.190 -4.743 1.00 10.00 O ATOM 0 H SER A 3 -20.428 3.596 -1.950 1.00 10.00 H new ATOM 0 HA SER A 3 -18.175 3.005 -2.326 1.00 10.00 H new ATOM 0 HB2 SER A 3 -17.634 3.702 -4.710 1.00 10.00 H new ATOM 0 HB3 SER A 3 -19.288 3.142 -4.561 1.00 10.00 H new ATOM 0 HG SER A 3 -18.907 5.880 -4.066 1.00 10.00 H new ATOM 32 N TRP A 4 -17.395 5.364 -1.046 1.00 10.00 N ATOM 33 CA TRP A 4 -16.359 6.319 -0.553 1.00 10.00 C ATOM 34 C TRP A 4 -15.369 5.577 0.351 1.00 10.00 C ATOM 35 O TRP A 4 -14.249 5.308 -0.039 1.00 10.00 O ATOM 36 CB TRP A 4 -17.134 7.386 0.231 1.00 10.00 C ATOM 37 CG TRP A 4 -16.818 8.738 -0.321 1.00 10.00 C ATOM 38 CD1 TRP A 4 -17.667 9.498 -1.051 1.00 10.00 C ATOM 39 CD2 TRP A 4 -15.584 9.503 -0.200 1.00 10.00 C ATOM 40 NE1 TRP A 4 -17.032 10.681 -1.384 1.00 10.00 N ATOM 41 CE2 TRP A 4 -15.746 10.731 -0.883 1.00 10.00 C ATOM 42 CE3 TRP A 4 -14.352 9.252 0.431 1.00 10.00 C ATOM 43 CZ2 TRP A 4 -14.722 11.677 -0.939 1.00 10.00 C ATOM 44 CZ3 TRP A 4 -13.318 10.202 0.376 1.00 10.00 C ATOM 45 CH2 TRP A 4 -13.504 11.412 -0.308 1.00 10.00 C ATOM 0 H TRP A 4 -18.080 5.070 -0.349 1.00 10.00 H new ATOM 0 HA TRP A 4 -15.780 6.768 -1.360 1.00 10.00 H new ATOM 0 HB2 TRP A 4 -18.205 7.195 0.164 1.00 10.00 H new ATOM 0 HB3 TRP A 4 -16.868 7.341 1.287 1.00 10.00 H new ATOM 0 HD1 TRP A 4 -18.675 9.226 -1.328 1.00 10.00 H new ATOM 0 HE1 TRP A 4 -17.461 11.426 -1.933 1.00 10.00 H new ATOM 0 HE3 TRP A 4 -14.200 8.323 0.961 1.00 10.00 H new ATOM 0 HZ2 TRP A 4 -14.870 12.608 -1.467 1.00 10.00 H new ATOM 0 HZ3 TRP A 4 -12.376 9.999 0.863 1.00 10.00 H new ATOM 0 HH2 TRP A 4 -12.706 12.139 -0.347 1.00 10.00 H new ATOM 56 N LEU A 5 -15.779 5.222 1.544 1.00 10.00 N ATOM 57 CA LEU A 5 -14.865 4.475 2.463 1.00 10.00 C ATOM 58 C LEU A 5 -14.969 2.959 2.208 1.00 10.00 C ATOM 59 O LEU A 5 -14.257 2.177 2.805 1.00 10.00 O ATOM 60 CB LEU A 5 -15.348 4.820 3.877 1.00 10.00 C ATOM 61 CG LEU A 5 -14.241 4.518 4.891 1.00 10.00 C ATOM 62 CD1 LEU A 5 -13.364 5.757 5.080 1.00 10.00 C ATOM 63 CD2 LEU A 5 -14.869 4.130 6.231 1.00 10.00 C ATOM 0 H LEU A 5 -16.707 5.417 1.921 1.00 10.00 H new ATOM 0 HA LEU A 5 -13.820 4.748 2.313 1.00 10.00 H new ATOM 0 HB2 LEU A 5 -15.625 5.873 3.930 1.00 10.00 H new ATOM 0 HB3 LEU A 5 -16.241 4.243 4.117 1.00 10.00 H new ATOM 0 HG LEU A 5 -13.629 3.695 4.523 1.00 10.00 H new ATOM 0 HD11 LEU A 5 -12.577 5.539 5.802 1.00 10.00 H new ATOM 0 HD12 LEU A 5 -12.915 6.034 4.126 1.00 10.00 H new ATOM 0 HD13 LEU A 5 -13.974 6.582 5.447 1.00 10.00 H new ATOM 0 HD21 LEU A 5 -14.081 3.915 6.953 1.00 10.00 H new ATOM 0 HD22 LEU A 5 -15.482 4.953 6.597 1.00 10.00 H new ATOM 0 HD23 LEU A 5 -15.491 3.245 6.098 1.00 10.00 H new ATOM 75 N ARG A 6 -15.849 2.543 1.324 1.00 10.00 N ATOM 76 CA ARG A 6 -15.994 1.084 1.028 1.00 10.00 C ATOM 77 C ARG A 6 -15.205 0.708 -0.238 1.00 10.00 C ATOM 78 O ARG A 6 -14.909 -0.449 -0.463 1.00 10.00 O ATOM 79 CB ARG A 6 -17.496 0.873 0.807 1.00 10.00 C ATOM 80 CG ARG A 6 -17.873 -0.572 1.153 1.00 10.00 C ATOM 81 CD ARG A 6 -18.624 -1.206 -0.024 1.00 10.00 C ATOM 82 NE ARG A 6 -19.779 -1.928 0.586 1.00 10.00 N ATOM 83 CZ ARG A 6 -20.633 -2.555 -0.178 1.00 10.00 C ATOM 84 NH1 ARG A 6 -20.416 -3.800 -0.514 1.00 10.00 N ATOM 85 NH2 ARG A 6 -21.702 -1.935 -0.606 1.00 10.00 N ATOM 0 H ARG A 6 -16.472 3.154 0.796 1.00 10.00 H new ATOM 0 HA ARG A 6 -15.606 0.462 1.835 1.00 10.00 H new ATOM 0 HB2 ARG A 6 -18.065 1.566 1.427 1.00 10.00 H new ATOM 0 HB3 ARG A 6 -17.754 1.088 -0.230 1.00 10.00 H new ATOM 0 HG2 ARG A 6 -16.975 -1.148 1.377 1.00 10.00 H new ATOM 0 HG3 ARG A 6 -18.496 -0.591 2.047 1.00 10.00 H new ATOM 0 HD2 ARG A 6 -18.963 -0.447 -0.729 1.00 10.00 H new ATOM 0 HD3 ARG A 6 -17.981 -1.890 -0.578 1.00 10.00 H new ATOM 0 HE ARG A 6 -19.901 -1.932 1.599 1.00 10.00 H new ATOM 0 HH11 ARG A 6 -19.581 -4.280 -0.180 1.00 10.00 H new ATOM 0 HH12 ARG A 6 -21.082 -4.291 -1.111 1.00 10.00 H new ATOM 0 HH21 ARG A 6 -21.868 -0.963 -0.343 1.00 10.00 H new ATOM 0 HH22 ARG A 6 -22.370 -2.423 -1.203 1.00 10.00 H new ATOM 99 N ASP A 7 -14.867 1.672 -1.063 1.00 10.00 N ATOM 100 CA ASP A 7 -14.102 1.367 -2.313 1.00 10.00 C ATOM 101 C ASP A 7 -12.609 1.665 -2.112 1.00 10.00 C ATOM 102 O ASP A 7 -11.760 0.845 -2.408 1.00 10.00 O ATOM 103 CB ASP A 7 -14.701 2.294 -3.379 1.00 10.00 C ATOM 104 CG ASP A 7 -13.776 2.352 -4.599 1.00 10.00 C ATOM 105 OD1 ASP A 7 -13.869 1.464 -5.430 1.00 10.00 O ATOM 106 OD2 ASP A 7 -12.992 3.284 -4.682 1.00 10.00 O ATOM 0 H ASP A 7 -15.089 2.658 -0.923 1.00 10.00 H new ATOM 0 HA ASP A 7 -14.176 0.317 -2.597 1.00 10.00 H new ATOM 0 HB2 ASP A 7 -15.686 1.933 -3.675 1.00 10.00 H new ATOM 0 HB3 ASP A 7 -14.838 3.294 -2.968 1.00 10.00 H new ATOM 111 N ILE A 8 -12.291 2.840 -1.621 1.00 10.00 N ATOM 112 CA ILE A 8 -10.855 3.213 -1.407 1.00 10.00 C ATOM 113 C ILE A 8 -10.154 2.192 -0.496 1.00 10.00 C ATOM 114 O ILE A 8 -8.996 1.873 -0.700 1.00 10.00 O ATOM 115 CB ILE A 8 -10.893 4.602 -0.749 1.00 10.00 C ATOM 116 CG1 ILE A 8 -11.466 5.621 -1.745 1.00 10.00 C ATOM 117 CG2 ILE A 8 -9.475 5.026 -0.352 1.00 10.00 C ATOM 118 CD1 ILE A 8 -11.777 6.934 -1.019 1.00 10.00 C ATOM 0 H ILE A 8 -12.966 3.559 -1.359 1.00 10.00 H new ATOM 0 HA ILE A 8 -10.294 3.223 -2.342 1.00 10.00 H new ATOM 0 HB ILE A 8 -11.521 4.562 0.141 1.00 10.00 H new ATOM 0 HG12 ILE A 8 -10.752 5.799 -2.549 1.00 10.00 H new ATOM 0 HG13 ILE A 8 -12.372 5.225 -2.205 1.00 10.00 H new ATOM 0 HG21 ILE A 8 -9.507 6.011 0.114 1.00 10.00 H new ATOM 0 HG22 ILE A 8 -9.063 4.304 0.353 1.00 10.00 H new ATOM 0 HG23 ILE A 8 -8.845 5.065 -1.240 1.00 10.00 H new ATOM 0 HD11 ILE A 8 -12.183 7.655 -1.729 1.00 10.00 H new ATOM 0 HD12 ILE A 8 -12.507 6.750 -0.231 1.00 10.00 H new ATOM 0 HD13 ILE A 8 -10.862 7.333 -0.580 1.00 10.00 H new ATOM 130 N TRP A 9 -10.841 1.678 0.501 1.00 10.00 N ATOM 131 CA TRP A 9 -10.211 0.677 1.423 1.00 10.00 C ATOM 132 C TRP A 9 -9.603 -0.486 0.624 1.00 10.00 C ATOM 133 O TRP A 9 -8.479 -0.887 0.863 1.00 10.00 O ATOM 134 CB TRP A 9 -11.352 0.181 2.322 1.00 10.00 C ATOM 135 CG TRP A 9 -10.859 -0.927 3.205 1.00 10.00 C ATOM 136 CD1 TRP A 9 -11.508 -2.095 3.418 1.00 10.00 C ATOM 137 CD2 TRP A 9 -9.629 -0.995 3.988 1.00 10.00 C ATOM 138 NE1 TRP A 9 -10.758 -2.874 4.281 1.00 10.00 N ATOM 139 CE2 TRP A 9 -9.592 -2.240 4.661 1.00 10.00 C ATOM 140 CE3 TRP A 9 -8.554 -0.107 4.179 1.00 10.00 C ATOM 141 CZ2 TRP A 9 -8.527 -2.591 5.492 1.00 10.00 C ATOM 142 CZ3 TRP A 9 -7.481 -0.459 5.015 1.00 10.00 C ATOM 143 CH2 TRP A 9 -7.467 -1.698 5.669 1.00 10.00 C ATOM 0 H TRP A 9 -11.811 1.909 0.715 1.00 10.00 H new ATOM 0 HA TRP A 9 -9.399 1.114 2.004 1.00 10.00 H new ATOM 0 HB2 TRP A 9 -11.731 1.002 2.931 1.00 10.00 H new ATOM 0 HB3 TRP A 9 -12.182 -0.172 1.710 1.00 10.00 H new ATOM 0 HD1 TRP A 9 -12.457 -2.374 2.985 1.00 10.00 H new ATOM 0 HE1 TRP A 9 -11.033 -3.804 4.598 1.00 10.00 H new ATOM 0 HE3 TRP A 9 -8.554 0.851 3.680 1.00 10.00 H new ATOM 0 HZ2 TRP A 9 -8.522 -3.547 5.995 1.00 10.00 H new ATOM 0 HZ3 TRP A 9 -6.661 0.230 5.154 1.00 10.00 H new ATOM 0 HH2 TRP A 9 -6.638 -1.962 6.309 1.00 10.00 H new ATOM 154 N ASP A 10 -10.334 -1.020 -0.326 1.00 10.00 N ATOM 155 CA ASP A 10 -9.792 -2.148 -1.148 1.00 10.00 C ATOM 156 C ASP A 10 -8.525 -1.692 -1.884 1.00 10.00 C ATOM 157 O ASP A 10 -7.534 -2.398 -1.926 1.00 10.00 O ATOM 158 CB ASP A 10 -10.906 -2.487 -2.143 1.00 10.00 C ATOM 159 CG ASP A 10 -10.529 -3.745 -2.926 1.00 10.00 C ATOM 160 OD1 ASP A 10 -10.635 -4.823 -2.362 1.00 10.00 O ATOM 161 OD2 ASP A 10 -10.147 -3.611 -4.076 1.00 10.00 O ATOM 0 H ASP A 10 -11.280 -0.724 -0.567 1.00 10.00 H new ATOM 0 HA ASP A 10 -9.517 -3.012 -0.543 1.00 10.00 H new ATOM 0 HB2 ASP A 10 -11.845 -2.644 -1.613 1.00 10.00 H new ATOM 0 HB3 ASP A 10 -11.062 -1.653 -2.828 1.00 10.00 H new ATOM 166 N TRP A 11 -8.551 -0.507 -2.445 1.00 10.00 N ATOM 167 CA TRP A 11 -7.350 0.018 -3.163 1.00 10.00 C ATOM 168 C TRP A 11 -6.205 0.242 -2.166 1.00 10.00 C ATOM 169 O TRP A 11 -5.057 -0.026 -2.463 1.00 10.00 O ATOM 170 CB TRP A 11 -7.806 1.345 -3.782 1.00 10.00 C ATOM 171 CG TRP A 11 -6.676 1.965 -4.541 1.00 10.00 C ATOM 172 CD1 TRP A 11 -6.414 1.758 -5.850 1.00 10.00 C ATOM 173 CD2 TRP A 11 -5.656 2.887 -4.058 1.00 10.00 C ATOM 174 NE1 TRP A 11 -5.299 2.495 -6.204 1.00 10.00 N ATOM 175 CE2 TRP A 11 -4.795 3.207 -5.133 1.00 10.00 C ATOM 176 CE3 TRP A 11 -5.399 3.470 -2.805 1.00 10.00 C ATOM 177 CZ2 TRP A 11 -3.716 4.077 -4.971 1.00 10.00 C ATOM 178 CZ3 TRP A 11 -4.314 4.345 -2.637 1.00 10.00 C ATOM 179 CH2 TRP A 11 -3.474 4.647 -3.718 1.00 10.00 C ATOM 0 H TRP A 11 -9.355 0.120 -2.436 1.00 10.00 H new ATOM 0 HA TRP A 11 -6.979 -0.671 -3.922 1.00 10.00 H new ATOM 0 HB2 TRP A 11 -8.653 1.175 -4.447 1.00 10.00 H new ATOM 0 HB3 TRP A 11 -8.146 2.024 -3.000 1.00 10.00 H new ATOM 0 HD1 TRP A 11 -6.982 1.121 -6.512 1.00 10.00 H new ATOM 0 HE1 TRP A 11 -4.898 2.511 -7.142 1.00 10.00 H new ATOM 0 HE3 TRP A 11 -6.040 3.243 -1.966 1.00 10.00 H new ATOM 0 HZ2 TRP A 11 -3.073 4.308 -5.807 1.00 10.00 H new ATOM 0 HZ3 TRP A 11 -4.126 4.788 -1.670 1.00 10.00 H new ATOM 0 HH2 TRP A 11 -2.640 5.320 -3.583 1.00 10.00 H new ATOM 190 N ILE A 12 -6.513 0.717 -0.979 1.00 10.00 N ATOM 191 CA ILE A 12 -5.444 0.938 0.046 1.00 10.00 C ATOM 192 C ILE A 12 -4.752 -0.395 0.356 1.00 10.00 C ATOM 193 O ILE A 12 -3.546 -0.457 0.497 1.00 10.00 O ATOM 194 CB ILE A 12 -6.168 1.485 1.287 1.00 10.00 C ATOM 195 CG1 ILE A 12 -6.578 2.941 1.041 1.00 10.00 C ATOM 196 CG2 ILE A 12 -5.236 1.423 2.503 1.00 10.00 C ATOM 197 CD1 ILE A 12 -7.640 3.357 2.063 1.00 10.00 C ATOM 0 H ILE A 12 -7.457 0.960 -0.678 1.00 10.00 H new ATOM 0 HA ILE A 12 -4.675 1.631 -0.295 1.00 10.00 H new ATOM 0 HB ILE A 12 -7.054 0.880 1.478 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -5.708 3.593 1.121 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -6.969 3.053 0.030 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -5.755 1.812 3.379 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -4.943 0.389 2.684 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -4.347 2.024 2.311 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -7.930 4.393 1.886 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -8.514 2.713 1.962 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -7.233 3.261 3.070 1.00 10.00 H new ATOM 209 N CYS A 13 -5.510 -1.465 0.439 1.00 10.00 N ATOM 210 CA CYS A 13 -4.901 -2.803 0.715 1.00 10.00 C ATOM 211 C CYS A 13 -4.025 -3.222 -0.475 1.00 10.00 C ATOM 212 O CYS A 13 -2.977 -3.818 -0.305 1.00 10.00 O ATOM 213 CB CYS A 13 -6.088 -3.757 0.882 1.00 10.00 C ATOM 214 SG CYS A 13 -5.496 -5.366 1.461 1.00 10.00 S ATOM 0 H CYS A 13 -6.524 -1.467 0.327 1.00 10.00 H new ATOM 0 HA CYS A 13 -4.265 -2.802 1.600 1.00 10.00 H new ATOM 0 HB2 CYS A 13 -6.803 -3.343 1.594 1.00 10.00 H new ATOM 0 HB3 CYS A 13 -6.612 -3.871 -0.067 1.00 10.00 H new ATOM 0 HG CYS A 13 -6.505 -6.174 1.604 1.00 10.00 H new ATOM 220 N GLU A 14 -4.438 -2.890 -1.676 1.00 10.00 N ATOM 221 CA GLU A 14 -3.628 -3.239 -2.884 1.00 10.00 C ATOM 222 C GLU A 14 -2.272 -2.528 -2.822 1.00 10.00 C ATOM 223 O GLU A 14 -1.261 -3.052 -3.250 1.00 10.00 O ATOM 224 CB GLU A 14 -4.447 -2.724 -4.072 1.00 10.00 C ATOM 225 CG GLU A 14 -4.924 -3.899 -4.928 1.00 10.00 C ATOM 226 CD GLU A 14 -6.234 -3.523 -5.623 1.00 10.00 C ATOM 227 OE1 GLU A 14 -6.189 -2.702 -6.525 1.00 10.00 O ATOM 228 OE2 GLU A 14 -7.260 -4.059 -5.240 1.00 10.00 O ATOM 0 H GLU A 14 -5.306 -2.390 -1.871 1.00 10.00 H new ATOM 0 HA GLU A 14 -3.430 -4.308 -2.959 1.00 10.00 H new ATOM 0 HB2 GLU A 14 -5.304 -2.153 -3.713 1.00 10.00 H new ATOM 0 HB3 GLU A 14 -3.842 -2.046 -4.675 1.00 10.00 H new ATOM 0 HG2 GLU A 14 -4.167 -4.154 -5.669 1.00 10.00 H new ATOM 0 HG3 GLU A 14 -5.070 -4.781 -4.305 1.00 10.00 H new ATOM 235 N VAL A 15 -2.254 -1.337 -2.285 1.00 10.00 N ATOM 236 CA VAL A 15 -0.978 -0.564 -2.174 1.00 10.00 C ATOM 237 C VAL A 15 -0.267 -0.902 -0.855 1.00 10.00 C ATOM 238 O VAL A 15 0.936 -0.782 -0.749 1.00 10.00 O ATOM 239 CB VAL A 15 -1.397 0.914 -2.198 1.00 10.00 C ATOM 240 CG1 VAL A 15 -0.151 1.803 -2.247 1.00 10.00 C ATOM 241 CG2 VAL A 15 -2.261 1.194 -3.434 1.00 10.00 C ATOM 0 H VAL A 15 -3.076 -0.860 -1.914 1.00 10.00 H new ATOM 0 HA VAL A 15 -0.283 -0.800 -2.980 1.00 10.00 H new ATOM 0 HB VAL A 15 -1.970 1.132 -1.297 1.00 10.00 H new ATOM 0 HG11 VAL A 15 -0.452 2.851 -2.264 1.00 10.00 H new ATOM 0 HG12 VAL A 15 0.464 1.616 -1.367 1.00 10.00 H new ATOM 0 HG13 VAL A 15 0.423 1.576 -3.145 1.00 10.00 H new ATOM 0 HG21 VAL A 15 -2.554 2.244 -3.443 1.00 10.00 H new ATOM 0 HG22 VAL A 15 -1.691 0.968 -4.335 1.00 10.00 H new ATOM 0 HG23 VAL A 15 -3.153 0.569 -3.403 1.00 10.00 H new ATOM 251 N LEU A 16 -1.006 -1.319 0.152 1.00 10.00 N ATOM 252 CA LEU A 16 -0.380 -1.664 1.470 1.00 10.00 C ATOM 253 C LEU A 16 0.747 -2.689 1.286 1.00 10.00 C ATOM 254 O LEU A 16 1.823 -2.536 1.831 1.00 10.00 O ATOM 255 CB LEU A 16 -1.517 -2.260 2.309 1.00 10.00 C ATOM 256 CG LEU A 16 -1.059 -2.413 3.763 1.00 10.00 C ATOM 257 CD1 LEU A 16 -1.203 -1.075 4.490 1.00 10.00 C ATOM 258 CD2 LEU A 16 -1.924 -3.466 4.460 1.00 10.00 C ATOM 0 H LEU A 16 -2.019 -1.435 0.115 1.00 10.00 H new ATOM 0 HA LEU A 16 0.068 -0.792 1.947 1.00 10.00 H new ATOM 0 HB2 LEU A 16 -2.395 -1.616 2.260 1.00 10.00 H new ATOM 0 HB3 LEU A 16 -1.810 -3.229 1.906 1.00 10.00 H new ATOM 0 HG LEU A 16 -0.015 -2.725 3.783 1.00 10.00 H new ATOM 0 HD11 LEU A 16 -0.877 -1.186 5.524 1.00 10.00 H new ATOM 0 HD12 LEU A 16 -0.589 -0.324 3.994 1.00 10.00 H new ATOM 0 HD13 LEU A 16 -2.247 -0.761 4.470 1.00 10.00 H new ATOM 0 HD21 LEU A 16 -1.600 -3.576 5.495 1.00 10.00 H new ATOM 0 HD22 LEU A 16 -2.968 -3.152 4.438 1.00 10.00 H new ATOM 0 HD23 LEU A 16 -1.822 -4.421 3.944 1.00 10.00 H new ATOM 270 N SER A 17 0.510 -3.726 0.517 1.00 10.00 N ATOM 271 CA SER A 17 1.575 -4.757 0.291 1.00 10.00 C ATOM 272 C SER A 17 2.797 -4.108 -0.370 1.00 10.00 C ATOM 273 O SER A 17 3.926 -4.360 0.011 1.00 10.00 O ATOM 274 CB SER A 17 0.945 -5.799 -0.638 1.00 10.00 C ATOM 275 OG SER A 17 0.327 -5.143 -1.739 1.00 10.00 O ATOM 0 H SER A 17 -0.372 -3.903 0.037 1.00 10.00 H new ATOM 0 HA SER A 17 1.916 -5.209 1.222 1.00 10.00 H new ATOM 0 HB2 SER A 17 1.707 -6.491 -0.995 1.00 10.00 H new ATOM 0 HB3 SER A 17 0.208 -6.389 -0.093 1.00 10.00 H new ATOM 0 HG SER A 17 -0.075 -5.810 -2.334 1.00 10.00 H new ATOM 281 N ASP A 18 2.576 -3.262 -1.348 1.00 10.00 N ATOM 282 CA ASP A 18 3.720 -2.580 -2.025 1.00 10.00 C ATOM 283 C ASP A 18 4.312 -1.510 -1.102 1.00 10.00 C ATOM 284 O ASP A 18 5.502 -1.271 -1.112 1.00 10.00 O ATOM 285 CB ASP A 18 3.125 -1.933 -3.279 1.00 10.00 C ATOM 286 CG ASP A 18 4.223 -1.185 -4.040 1.00 10.00 C ATOM 287 OD1 ASP A 18 5.046 -1.845 -4.654 1.00 10.00 O ATOM 288 OD2 ASP A 18 4.225 0.036 -3.995 1.00 10.00 O ATOM 0 H ASP A 18 1.653 -3.016 -1.705 1.00 10.00 H new ATOM 0 HA ASP A 18 4.523 -3.275 -2.272 1.00 10.00 H new ATOM 0 HB2 ASP A 18 2.680 -2.696 -3.918 1.00 10.00 H new ATOM 0 HB3 ASP A 18 2.327 -1.245 -3.002 1.00 10.00 H new ATOM 293 N PHE A 19 3.488 -0.872 -0.301 1.00 10.00 N ATOM 294 CA PHE A 19 3.994 0.182 0.634 1.00 10.00 C ATOM 295 C PHE A 19 5.173 -0.357 1.449 1.00 10.00 C ATOM 296 O PHE A 19 6.183 0.303 1.600 1.00 10.00 O ATOM 297 CB PHE A 19 2.812 0.500 1.556 1.00 10.00 C ATOM 298 CG PHE A 19 2.595 1.994 1.611 1.00 10.00 C ATOM 299 CD1 PHE A 19 3.572 2.824 2.173 1.00 10.00 C ATOM 300 CD2 PHE A 19 1.416 2.548 1.100 1.00 10.00 C ATOM 301 CE1 PHE A 19 3.370 4.208 2.224 1.00 10.00 C ATOM 302 CE2 PHE A 19 1.213 3.933 1.151 1.00 10.00 C ATOM 303 CZ PHE A 19 2.191 4.763 1.713 1.00 10.00 C ATOM 0 H PHE A 19 2.483 -1.038 -0.256 1.00 10.00 H new ATOM 0 HA PHE A 19 4.348 1.066 0.103 1.00 10.00 H new ATOM 0 HB2 PHE A 19 1.911 0.005 1.192 1.00 10.00 H new ATOM 0 HB3 PHE A 19 3.005 0.114 2.557 1.00 10.00 H new ATOM 0 HD1 PHE A 19 4.482 2.396 2.567 1.00 10.00 H new ATOM 0 HD2 PHE A 19 0.662 1.908 0.666 1.00 10.00 H new ATOM 0 HE1 PHE A 19 4.124 4.848 2.658 1.00 10.00 H new ATOM 0 HE2 PHE A 19 0.303 4.361 0.757 1.00 10.00 H new ATOM 0 HZ PHE A 19 2.036 5.831 1.752 1.00 10.00 H new ATOM 313 N LYS A 20 5.051 -1.556 1.968 1.00 10.00 N ATOM 314 CA LYS A 20 6.167 -2.153 2.768 1.00 10.00 C ATOM 315 C LYS A 20 7.404 -2.348 1.879 1.00 10.00 C ATOM 316 O LYS A 20 8.512 -2.034 2.274 1.00 10.00 O ATOM 317 CB LYS A 20 5.636 -3.504 3.262 1.00 10.00 C ATOM 318 CG LYS A 20 6.314 -3.868 4.587 1.00 10.00 C ATOM 319 CD LYS A 20 7.563 -4.715 4.318 1.00 10.00 C ATOM 320 CE LYS A 20 7.261 -6.189 4.609 1.00 10.00 C ATOM 321 NZ LYS A 20 7.569 -6.377 6.057 1.00 10.00 N ATOM 0 H LYS A 20 4.225 -2.147 1.872 1.00 10.00 H new ATOM 0 HA LYS A 20 6.467 -1.514 3.598 1.00 10.00 H new ATOM 0 HB2 LYS A 20 4.555 -3.455 3.396 1.00 10.00 H new ATOM 0 HB3 LYS A 20 5.830 -4.277 2.518 1.00 10.00 H new ATOM 0 HG2 LYS A 20 6.588 -2.961 5.127 1.00 10.00 H new ATOM 0 HG3 LYS A 20 5.620 -4.419 5.221 1.00 10.00 H new ATOM 0 HD2 LYS A 20 7.878 -4.596 3.281 1.00 10.00 H new ATOM 0 HD3 LYS A 20 8.388 -4.373 4.943 1.00 10.00 H new ATOM 0 HE2 LYS A 20 6.219 -6.426 4.395 1.00 10.00 H new ATOM 0 HE3 LYS A 20 7.872 -6.845 3.989 1.00 10.00 H new ATOM 0 HZ1 LYS A 20 7.385 -7.365 6.326 1.00 10.00 H new ATOM 0 HZ2 LYS A 20 8.569 -6.152 6.231 1.00 10.00 H new ATOM 0 HZ3 LYS A 20 6.968 -5.746 6.625 1.00 10.00 H new ATOM 335 N THR A 21 7.220 -2.853 0.682 1.00 10.00 N ATOM 336 CA THR A 21 8.384 -3.058 -0.238 1.00 10.00 C ATOM 337 C THR A 21 8.937 -1.702 -0.690 1.00 10.00 C ATOM 338 O THR A 21 10.133 -1.522 -0.799 1.00 10.00 O ATOM 339 CB THR A 21 7.829 -3.841 -1.435 1.00 10.00 C ATOM 340 OG1 THR A 21 7.040 -4.929 -0.968 1.00 10.00 O ATOM 341 CG2 THR A 21 8.984 -4.379 -2.284 1.00 10.00 C ATOM 0 H THR A 21 6.315 -3.132 0.303 1.00 10.00 H new ATOM 0 HA THR A 21 9.200 -3.594 0.246 1.00 10.00 H new ATOM 0 HB THR A 21 7.214 -3.177 -2.042 1.00 10.00 H new ATOM 0 HG1 THR A 21 6.685 -5.427 -1.733 1.00 10.00 H new ATOM 0 HG21 THR A 21 8.584 -4.934 -3.132 1.00 10.00 H new ATOM 0 HG22 THR A 21 9.587 -3.547 -2.647 1.00 10.00 H new ATOM 0 HG23 THR A 21 9.604 -5.040 -1.678 1.00 10.00 H new ATOM 349 N TRP A 22 8.072 -0.746 -0.939 1.00 10.00 N ATOM 350 CA TRP A 22 8.540 0.610 -1.370 1.00 10.00 C ATOM 351 C TRP A 22 9.526 1.166 -0.340 1.00 10.00 C ATOM 352 O TRP A 22 10.591 1.641 -0.681 1.00 10.00 O ATOM 353 CB TRP A 22 7.275 1.472 -1.410 1.00 10.00 C ATOM 354 CG TRP A 22 7.504 2.661 -2.288 1.00 10.00 C ATOM 355 CD1 TRP A 22 7.087 2.774 -3.571 1.00 10.00 C ATOM 356 CD2 TRP A 22 8.193 3.906 -1.971 1.00 10.00 C ATOM 357 NE1 TRP A 22 7.477 4.010 -4.060 1.00 10.00 N ATOM 358 CE2 TRP A 22 8.162 4.743 -3.112 1.00 10.00 C ATOM 359 CE3 TRP A 22 8.838 4.384 -0.815 1.00 10.00 C ATOM 360 CZ2 TRP A 22 8.747 6.009 -3.105 1.00 10.00 C ATOM 361 CZ3 TRP A 22 9.428 5.658 -0.805 1.00 10.00 C ATOM 362 CH2 TRP A 22 9.383 6.469 -1.948 1.00 10.00 C ATOM 0 H TRP A 22 7.060 -0.847 -0.862 1.00 10.00 H new ATOM 0 HA TRP A 22 9.049 0.588 -2.333 1.00 10.00 H new ATOM 0 HB2 TRP A 22 6.436 0.886 -1.786 1.00 10.00 H new ATOM 0 HB3 TRP A 22 7.012 1.796 -0.403 1.00 10.00 H new ATOM 0 HD1 TRP A 22 6.540 2.024 -4.123 1.00 10.00 H new ATOM 0 HE1 TRP A 22 7.282 4.339 -5.006 1.00 10.00 H new ATOM 0 HE3 TRP A 22 8.879 3.767 0.070 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 8.709 6.630 -3.988 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 9.919 6.015 0.088 1.00 10.00 H new ATOM 0 HH2 TRP A 22 9.839 7.448 -1.935 1.00 10.00 H new ATOM 373 N LEU A 23 9.171 1.100 0.917 1.00 10.00 N ATOM 374 CA LEU A 23 10.074 1.615 1.993 1.00 10.00 C ATOM 375 C LEU A 23 11.286 0.688 2.170 1.00 10.00 C ATOM 376 O LEU A 23 12.386 1.143 2.420 1.00 10.00 O ATOM 377 CB LEU A 23 9.219 1.625 3.266 1.00 10.00 C ATOM 378 CG LEU A 23 8.693 3.041 3.523 1.00 10.00 C ATOM 379 CD1 LEU A 23 7.377 3.246 2.769 1.00 10.00 C ATOM 380 CD2 LEU A 23 8.456 3.233 5.022 1.00 10.00 C ATOM 0 H LEU A 23 8.289 0.709 1.248 1.00 10.00 H new ATOM 0 HA LEU A 23 10.465 2.604 1.755 1.00 10.00 H new ATOM 0 HB2 LEU A 23 8.386 0.930 3.161 1.00 10.00 H new ATOM 0 HB3 LEU A 23 9.811 1.287 4.116 1.00 10.00 H new ATOM 0 HG LEU A 23 9.427 3.767 3.174 1.00 10.00 H new ATOM 0 HD11 LEU A 23 7.005 4.254 2.954 1.00 10.00 H new ATOM 0 HD12 LEU A 23 7.545 3.111 1.701 1.00 10.00 H new ATOM 0 HD13 LEU A 23 6.642 2.519 3.115 1.00 10.00 H new ATOM 0 HD21 LEU A 23 8.082 4.240 5.205 1.00 10.00 H new ATOM 0 HD22 LEU A 23 7.724 2.505 5.371 1.00 10.00 H new ATOM 0 HD23 LEU A 23 9.393 3.091 5.560 1.00 10.00 H new ATOM 392 N LYS A 24 11.095 -0.605 2.045 1.00 10.00 N ATOM 393 CA LYS A 24 12.238 -1.558 2.207 1.00 10.00 C ATOM 394 C LYS A 24 13.210 -1.445 1.026 1.00 10.00 C ATOM 395 O LYS A 24 14.407 -1.582 1.187 1.00 10.00 O ATOM 396 CB LYS A 24 11.603 -2.951 2.244 1.00 10.00 C ATOM 397 CG LYS A 24 11.025 -3.216 3.638 1.00 10.00 C ATOM 398 CD LYS A 24 12.060 -3.951 4.495 1.00 10.00 C ATOM 399 CE LYS A 24 12.261 -3.198 5.816 1.00 10.00 C ATOM 400 NZ LYS A 24 12.551 -4.256 6.824 1.00 10.00 N ATOM 0 H LYS A 24 10.196 -1.041 1.838 1.00 10.00 H new ATOM 0 HA LYS A 24 12.813 -1.348 3.109 1.00 10.00 H new ATOM 0 HB2 LYS A 24 10.816 -3.023 1.493 1.00 10.00 H new ATOM 0 HB3 LYS A 24 12.348 -3.708 1.998 1.00 10.00 H new ATOM 0 HG2 LYS A 24 10.748 -2.274 4.113 1.00 10.00 H new ATOM 0 HG3 LYS A 24 10.116 -3.812 3.558 1.00 10.00 H new ATOM 0 HD2 LYS A 24 11.726 -4.970 4.692 1.00 10.00 H new ATOM 0 HD3 LYS A 24 13.006 -4.024 3.958 1.00 10.00 H new ATOM 0 HE2 LYS A 24 13.083 -2.486 5.743 1.00 10.00 H new ATOM 0 HE3 LYS A 24 11.371 -2.630 6.086 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 12.667 -3.820 7.761 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 11.763 -4.934 6.852 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 13.426 -4.753 6.563 1.00 10.00 H new ATOM 414 N ALA A 25 12.706 -1.193 -0.156 1.00 10.00 N ATOM 415 CA ALA A 25 13.601 -1.066 -1.348 1.00 10.00 C ATOM 416 C ALA A 25 14.130 0.373 -1.489 1.00 10.00 C ATOM 417 O ALA A 25 15.009 0.636 -2.288 1.00 10.00 O ATOM 418 CB ALA A 25 12.721 -1.430 -2.546 1.00 10.00 C ATOM 0 H ALA A 25 11.712 -1.069 -0.348 1.00 10.00 H new ATOM 0 HA ALA A 25 14.476 -1.711 -1.266 1.00 10.00 H new ATOM 0 HB1 ALA A 25 13.307 -1.361 -3.462 1.00 10.00 H new ATOM 0 HB2 ALA A 25 12.350 -2.448 -2.429 1.00 10.00 H new ATOM 0 HB3 ALA A 25 11.878 -0.741 -2.601 1.00 10.00 H new ATOM 424 N LYS A 26 13.601 1.306 -0.729 1.00 10.00 N ATOM 425 CA LYS A 26 14.076 2.719 -0.834 1.00 10.00 C ATOM 426 C LYS A 26 15.048 3.053 0.305 1.00 10.00 C ATOM 427 O LYS A 26 16.135 3.543 0.073 1.00 10.00 O ATOM 428 CB LYS A 26 12.807 3.572 -0.734 1.00 10.00 C ATOM 429 CG LYS A 26 13.161 5.056 -0.871 1.00 10.00 C ATOM 430 CD LYS A 26 13.678 5.337 -2.288 1.00 10.00 C ATOM 431 CE LYS A 26 12.623 6.119 -3.079 1.00 10.00 C ATOM 432 NZ LYS A 26 12.657 7.503 -2.523 1.00 10.00 N ATOM 0 H LYS A 26 12.863 1.147 -0.043 1.00 10.00 H new ATOM 0 HA LYS A 26 14.618 2.900 -1.762 1.00 10.00 H new ATOM 0 HB2 LYS A 26 12.103 3.284 -1.515 1.00 10.00 H new ATOM 0 HB3 LYS A 26 12.314 3.394 0.222 1.00 10.00 H new ATOM 0 HG2 LYS A 26 12.284 5.669 -0.666 1.00 10.00 H new ATOM 0 HG3 LYS A 26 13.919 5.328 -0.137 1.00 10.00 H new ATOM 0 HD2 LYS A 26 14.606 5.906 -2.240 1.00 10.00 H new ATOM 0 HD3 LYS A 26 13.905 4.399 -2.795 1.00 10.00 H new ATOM 0 HE2 LYS A 26 12.851 6.118 -4.145 1.00 10.00 H new ATOM 0 HE3 LYS A 26 11.635 5.673 -2.964 1.00 10.00 H new ATOM 0 HZ1 LYS A 26 12.345 8.177 -3.251 1.00 10.00 H new ATOM 0 HZ2 LYS A 26 12.023 7.563 -1.701 1.00 10.00 H new ATOM 0 HZ3 LYS A 26 13.627 7.735 -2.229 1.00 10.00 H new ATOM 446 N LEU A 27 14.662 2.803 1.534 1.00 10.00 N ATOM 447 CA LEU A 27 15.564 3.118 2.685 1.00 10.00 C ATOM 448 C LEU A 27 15.808 1.870 3.546 1.00 10.00 C ATOM 449 O LEU A 27 16.932 1.567 3.894 1.00 10.00 O ATOM 450 CB LEU A 27 14.819 4.191 3.490 1.00 10.00 C ATOM 451 CG LEU A 27 15.784 5.309 3.911 1.00 10.00 C ATOM 452 CD1 LEU A 27 16.914 4.726 4.767 1.00 10.00 C ATOM 453 CD2 LEU A 27 16.379 5.977 2.665 1.00 10.00 C ATOM 0 H LEU A 27 13.762 2.395 1.788 1.00 10.00 H new ATOM 0 HA LEU A 27 16.544 3.460 2.352 1.00 10.00 H new ATOM 0 HB2 LEU A 27 14.009 4.607 2.891 1.00 10.00 H new ATOM 0 HB3 LEU A 27 14.364 3.742 4.373 1.00 10.00 H new ATOM 0 HG LEU A 27 15.237 6.051 4.493 1.00 10.00 H new ATOM 0 HD11 LEU A 27 17.595 5.524 5.063 1.00 10.00 H new ATOM 0 HD12 LEU A 27 16.492 4.260 5.658 1.00 10.00 H new ATOM 0 HD13 LEU A 27 17.459 3.979 4.190 1.00 10.00 H new ATOM 0 HD21 LEU A 27 17.063 6.770 2.969 1.00 10.00 H new ATOM 0 HD22 LEU A 27 16.921 5.235 2.078 1.00 10.00 H new ATOM 0 HD23 LEU A 27 15.577 6.402 2.062 1.00 10.00 H new ATOM 465 N MET A 28 14.762 1.155 3.895 1.00 10.00 N ATOM 466 CA MET A 28 14.914 -0.074 4.743 1.00 10.00 C ATOM 467 C MET A 28 15.611 0.275 6.071 1.00 10.00 C ATOM 468 O MET A 28 16.692 -0.208 6.352 1.00 10.00 O ATOM 469 CB MET A 28 15.765 -1.041 3.911 1.00 10.00 C ATOM 470 CG MET A 28 15.288 -2.476 4.145 1.00 10.00 C ATOM 471 SD MET A 28 16.600 -3.631 3.681 1.00 10.00 S ATOM 472 CE MET A 28 17.497 -3.599 5.252 1.00 10.00 C ATOM 0 H MET A 28 13.802 1.372 3.627 1.00 10.00 H new ATOM 0 HA MET A 28 13.952 -0.515 5.003 1.00 10.00 H new ATOM 0 HB2 MET A 28 15.689 -0.790 2.853 1.00 10.00 H new ATOM 0 HB3 MET A 28 16.815 -0.947 4.187 1.00 10.00 H new ATOM 0 HG2 MET A 28 15.020 -2.615 5.192 1.00 10.00 H new ATOM 0 HG3 MET A 28 14.391 -2.673 3.558 1.00 10.00 H new ATOM 0 HE1 MET A 28 18.551 -3.810 5.073 1.00 10.00 H new ATOM 0 HE2 MET A 28 17.397 -2.614 5.708 1.00 10.00 H new ATOM 0 HE3 MET A 28 17.084 -4.353 5.922 1.00 10.00 H new ATOM 482 N PRO A 29 14.960 1.113 6.849 1.00 10.00 N ATOM 483 CA PRO A 29 15.523 1.535 8.159 1.00 10.00 C ATOM 484 C PRO A 29 15.392 0.409 9.199 1.00 10.00 C ATOM 485 O PRO A 29 15.202 -0.743 8.856 1.00 10.00 O ATOM 486 CB PRO A 29 14.665 2.740 8.542 1.00 10.00 C ATOM 487 CG PRO A 29 13.369 2.551 7.818 1.00 10.00 C ATOM 488 CD PRO A 29 13.657 1.741 6.581 1.00 10.00 C ATOM 0 HA PRO A 29 16.586 1.771 8.112 1.00 10.00 H new ATOM 0 HB2 PRO A 29 14.510 2.785 9.620 1.00 10.00 H new ATOM 0 HB3 PRO A 29 15.146 3.674 8.250 1.00 10.00 H new ATOM 0 HG2 PRO A 29 12.646 2.038 8.453 1.00 10.00 H new ATOM 0 HG3 PRO A 29 12.934 3.514 7.553 1.00 10.00 H new ATOM 0 HD2 PRO A 29 12.884 0.993 6.407 1.00 10.00 H new ATOM 0 HD3 PRO A 29 13.695 2.372 5.693 1.00 10.00 H new ATOM 496 N GLN A 30 15.494 0.740 10.465 1.00 10.00 N ATOM 497 CA GLN A 30 15.379 -0.303 11.537 1.00 10.00 C ATOM 498 C GLN A 30 14.037 -1.043 11.426 1.00 10.00 C ATOM 499 O GLN A 30 13.055 -0.496 10.959 1.00 10.00 O ATOM 500 CB GLN A 30 15.458 0.468 12.860 1.00 10.00 C ATOM 501 CG GLN A 30 16.317 -0.310 13.862 1.00 10.00 C ATOM 502 CD GLN A 30 15.425 -0.901 14.957 1.00 10.00 C ATOM 503 OE1 GLN A 30 15.327 -2.104 15.093 1.00 10.00 O ATOM 504 NE2 GLN A 30 14.766 -0.102 15.753 1.00 10.00 N ATOM 0 H GLN A 30 15.652 1.689 10.803 1.00 10.00 H new ATOM 0 HA GLN A 30 16.163 -1.056 11.457 1.00 10.00 H new ATOM 0 HB2 GLN A 30 15.885 1.456 12.691 1.00 10.00 H new ATOM 0 HB3 GLN A 30 14.457 0.618 13.264 1.00 10.00 H new ATOM 0 HG2 GLN A 30 16.858 -1.106 13.351 1.00 10.00 H new ATOM 0 HG3 GLN A 30 17.064 0.349 14.304 1.00 10.00 H new ATOM 0 HE21 GLN A 30 14.846 0.909 15.642 1.00 10.00 H new ATOM 0 HE22 GLN A 30 14.171 -0.489 16.486 1.00 10.00 H new ATOM 513 N LEU A 31 13.999 -2.288 11.852 1.00 10.00 N ATOM 514 CA LEU A 31 12.733 -3.093 11.780 1.00 10.00 C ATOM 515 C LEU A 31 12.196 -3.133 10.334 1.00 10.00 C ATOM 516 O LEU A 31 11.025 -2.841 10.135 1.00 10.00 O ATOM 517 CB LEU A 31 11.749 -2.390 12.730 1.00 10.00 C ATOM 518 CG LEU A 31 12.087 -2.749 14.180 1.00 10.00 C ATOM 519 CD1 LEU A 31 11.677 -1.598 15.100 1.00 10.00 C ATOM 520 CD2 LEU A 31 11.328 -4.017 14.582 1.00 10.00 C ATOM 521 OXT LEU A 31 12.968 -3.463 9.447 1.00 10.00 O ATOM 0 H LEU A 31 14.797 -2.784 12.249 1.00 10.00 H new ATOM 0 HA LEU A 31 12.889 -4.132 12.072 1.00 10.00 H new ATOM 0 HB2 LEU A 31 11.802 -1.310 12.591 1.00 10.00 H new ATOM 0 HB3 LEU A 31 10.727 -2.691 12.499 1.00 10.00 H new ATOM 0 HG LEU A 31 13.159 -2.922 14.270 1.00 10.00 H new ATOM 0 HD11 LEU A 31 11.918 -1.854 16.132 1.00 10.00 H new ATOM 0 HD12 LEU A 31 12.216 -0.695 14.815 1.00 10.00 H new ATOM 0 HD13 LEU A 31 10.605 -1.424 15.010 1.00 10.00 H new ATOM 0 HD21 LEU A 31 11.568 -4.273 15.614 1.00 10.00 H new ATOM 0 HD22 LEU A 31 10.256 -3.843 14.491 1.00 10.00 H new ATOM 0 HD23 LEU A 31 11.619 -4.838 13.927 1.00 10.00 H new TER 533 LEU A 31