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+ 157:sc= 0.117 (180deg=0.011) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0791 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+ -178:sc= 0 (180deg=-0.00483) USER MOD Single : A 28 MET CE :methyl -140:sc= 0 (180deg=-0.31) USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -28.266 2.206 -1.218 1.00 10.00 N ATOM 2 CA SER A 1 -26.989 2.421 -0.472 1.00 10.00 C ATOM 3 C SER A 1 -25.841 1.677 -1.163 1.00 10.00 C ATOM 4 O SER A 1 -25.915 0.484 -1.392 1.00 10.00 O ATOM 5 CB SER A 1 -27.236 1.850 0.926 1.00 10.00 C ATOM 6 OG SER A 1 -28.392 2.460 1.488 1.00 10.00 O ATOM 0 H1 SER A 1 -29.072 2.361 -0.579 1.00 10.00 H new ATOM 0 H2 SER A 1 -28.321 2.875 -2.012 1.00 10.00 H new ATOM 0 H3 SER A 1 -28.295 1.232 -1.583 1.00 10.00 H new ATOM 0 HA SER A 1 -26.709 3.474 -0.434 1.00 10.00 H new ATOM 0 HB2 SER A 1 -27.372 0.770 0.871 1.00 10.00 H new ATOM 0 HB3 SER A 1 -26.370 2.030 1.563 1.00 10.00 H new ATOM 0 HG SER A 1 -28.553 2.094 2.383 1.00 10.00 H new ATOM 14 N GLY A 2 -24.781 2.373 -1.496 1.00 10.00 N ATOM 15 CA GLY A 2 -23.624 1.713 -2.174 1.00 10.00 C ATOM 16 C GLY A 2 -22.408 1.718 -1.241 1.00 10.00 C ATOM 17 O GLY A 2 -22.225 2.628 -0.454 1.00 10.00 O ATOM 0 H GLY A 2 -24.668 3.372 -1.326 1.00 10.00 H new ATOM 0 HA2 GLY A 2 -23.884 0.689 -2.444 1.00 10.00 H new ATOM 0 HA3 GLY A 2 -23.386 2.236 -3.100 1.00 10.00 H new ATOM 21 N SER A 3 -21.577 0.710 -1.327 1.00 10.00 N ATOM 22 CA SER A 3 -20.368 0.653 -0.447 1.00 10.00 C ATOM 23 C SER A 3 -19.234 1.491 -1.054 1.00 10.00 C ATOM 24 O SER A 3 -18.439 1.006 -1.837 1.00 10.00 O ATOM 25 CB SER A 3 -19.980 -0.829 -0.387 1.00 10.00 C ATOM 26 OG SER A 3 -19.901 -1.240 0.973 1.00 10.00 O ATOM 0 H SER A 3 -21.683 -0.076 -1.968 1.00 10.00 H new ATOM 0 HA SER A 3 -20.562 1.056 0.547 1.00 10.00 H new ATOM 0 HB2 SER A 3 -20.717 -1.431 -0.919 1.00 10.00 H new ATOM 0 HB3 SER A 3 -19.022 -0.986 -0.883 1.00 10.00 H new ATOM 0 HG SER A 3 -19.655 -2.188 1.015 1.00 10.00 H new ATOM 32 N TRP A 4 -19.158 2.751 -0.694 1.00 10.00 N ATOM 33 CA TRP A 4 -18.079 3.631 -1.244 1.00 10.00 C ATOM 34 C TRP A 4 -16.782 3.449 -0.445 1.00 10.00 C ATOM 35 O TRP A 4 -15.705 3.399 -1.007 1.00 10.00 O ATOM 36 CB TRP A 4 -18.608 5.060 -1.092 1.00 10.00 C ATOM 37 CG TRP A 4 -17.756 5.996 -1.891 1.00 10.00 C ATOM 38 CD1 TRP A 4 -17.684 6.018 -3.241 1.00 10.00 C ATOM 39 CD2 TRP A 4 -16.857 7.039 -1.416 1.00 10.00 C ATOM 40 NE1 TRP A 4 -16.799 7.007 -3.625 1.00 10.00 N ATOM 41 CE2 TRP A 4 -16.262 7.666 -2.537 1.00 10.00 C ATOM 42 CE3 TRP A 4 -16.502 7.500 -0.134 1.00 10.00 C ATOM 43 CZ2 TRP A 4 -15.350 8.711 -2.393 1.00 10.00 C ATOM 44 CZ3 TRP A 4 -15.583 8.552 0.014 1.00 10.00 C ATOM 45 CH2 TRP A 4 -15.008 9.155 -1.113 1.00 10.00 C ATOM 0 H TRP A 4 -19.797 3.207 -0.043 1.00 10.00 H new ATOM 0 HA TRP A 4 -17.847 3.393 -2.282 1.00 10.00 H new ATOM 0 HB2 TRP A 4 -19.643 5.114 -1.431 1.00 10.00 H new ATOM 0 HB3 TRP A 4 -18.601 5.352 -0.042 1.00 10.00 H new ATOM 0 HD1 TRP A 4 -18.229 5.369 -3.910 1.00 10.00 H new ATOM 0 HE1 TRP A 4 -16.570 7.224 -4.595 1.00 10.00 H new ATOM 0 HE3 TRP A 4 -16.939 7.042 0.741 1.00 10.00 H new ATOM 0 HZ2 TRP A 4 -14.911 9.174 -3.265 1.00 10.00 H new ATOM 0 HZ3 TRP A 4 -15.318 8.898 1.002 1.00 10.00 H new ATOM 0 HH2 TRP A 4 -14.301 9.962 -0.992 1.00 10.00 H new ATOM 56 N LEU A 5 -16.882 3.345 0.861 1.00 10.00 N ATOM 57 CA LEU A 5 -15.655 3.161 1.702 1.00 10.00 C ATOM 58 C LEU A 5 -14.877 1.922 1.237 1.00 10.00 C ATOM 59 O LEU A 5 -13.663 1.931 1.186 1.00 10.00 O ATOM 60 CB LEU A 5 -16.169 2.968 3.133 1.00 10.00 C ATOM 61 CG LEU A 5 -15.108 3.447 4.131 1.00 10.00 C ATOM 62 CD1 LEU A 5 -15.787 3.865 5.437 1.00 10.00 C ATOM 63 CD2 LEU A 5 -14.120 2.311 4.414 1.00 10.00 C ATOM 0 H LEU A 5 -17.760 3.380 1.380 1.00 10.00 H new ATOM 0 HA LEU A 5 -14.976 4.011 1.629 1.00 10.00 H new ATOM 0 HB2 LEU A 5 -17.095 3.526 3.276 1.00 10.00 H new ATOM 0 HB3 LEU A 5 -16.399 1.917 3.309 1.00 10.00 H new ATOM 0 HG LEU A 5 -14.573 4.298 3.709 1.00 10.00 H new ATOM 0 HD11 LEU A 5 -15.033 4.205 6.146 1.00 10.00 H new ATOM 0 HD12 LEU A 5 -16.490 4.674 5.239 1.00 10.00 H new ATOM 0 HD13 LEU A 5 -16.322 3.014 5.857 1.00 10.00 H new ATOM 0 HD21 LEU A 5 -13.366 2.653 5.123 1.00 10.00 H new ATOM 0 HD22 LEU A 5 -14.655 1.460 4.835 1.00 10.00 H new ATOM 0 HD23 LEU A 5 -13.635 2.011 3.485 1.00 10.00 H new ATOM 75 N ARG A 6 -15.572 0.865 0.884 1.00 10.00 N ATOM 76 CA ARG A 6 -14.881 -0.375 0.406 1.00 10.00 C ATOM 77 C ARG A 6 -14.087 -0.078 -0.874 1.00 10.00 C ATOM 78 O ARG A 6 -13.035 -0.646 -1.103 1.00 10.00 O ATOM 79 CB ARG A 6 -16.003 -1.379 0.122 1.00 10.00 C ATOM 80 CG ARG A 6 -15.567 -2.778 0.566 1.00 10.00 C ATOM 81 CD ARG A 6 -16.733 -3.478 1.270 1.00 10.00 C ATOM 82 NE ARG A 6 -16.196 -4.806 1.683 1.00 10.00 N ATOM 83 CZ ARG A 6 -16.620 -5.895 1.096 1.00 10.00 C ATOM 84 NH1 ARG A 6 -17.851 -6.296 1.280 1.00 10.00 N ATOM 85 NH2 ARG A 6 -15.814 -6.577 0.324 1.00 10.00 N ATOM 0 H ARG A 6 -16.590 0.809 0.907 1.00 10.00 H new ATOM 0 HA ARG A 6 -14.172 -0.759 1.140 1.00 10.00 H new ATOM 0 HB2 ARG A 6 -16.910 -1.085 0.651 1.00 10.00 H new ATOM 0 HB3 ARG A 6 -16.241 -1.382 -0.942 1.00 10.00 H new ATOM 0 HG2 ARG A 6 -15.247 -3.361 -0.297 1.00 10.00 H new ATOM 0 HG3 ARG A 6 -14.712 -2.708 1.238 1.00 10.00 H new ATOM 0 HD2 ARG A 6 -17.074 -2.905 2.132 1.00 10.00 H new ATOM 0 HD3 ARG A 6 -17.588 -3.589 0.602 1.00 10.00 H new ATOM 0 HE ARG A 6 -15.497 -4.865 2.424 1.00 10.00 H new ATOM 0 HH11 ARG A 6 -18.478 -5.760 1.880 1.00 10.00 H new ATOM 0 HH12 ARG A 6 -18.184 -7.145 0.823 1.00 10.00 H new ATOM 0 HH21 ARG A 6 -14.855 -6.259 0.180 1.00 10.00 H new ATOM 0 HH22 ARG A 6 -16.144 -7.426 -0.134 1.00 10.00 H new ATOM 99 N ASP A 7 -14.580 0.815 -1.702 1.00 10.00 N ATOM 100 CA ASP A 7 -13.857 1.165 -2.965 1.00 10.00 C ATOM 101 C ASP A 7 -12.508 1.823 -2.638 1.00 10.00 C ATOM 102 O ASP A 7 -11.517 1.583 -3.300 1.00 10.00 O ATOM 103 CB ASP A 7 -14.777 2.154 -3.691 1.00 10.00 C ATOM 104 CG ASP A 7 -14.363 2.258 -5.160 1.00 10.00 C ATOM 105 OD1 ASP A 7 -13.510 3.077 -5.458 1.00 10.00 O ATOM 106 OD2 ASP A 7 -14.907 1.517 -5.962 1.00 10.00 O ATOM 0 H ASP A 7 -15.455 1.317 -1.555 1.00 10.00 H new ATOM 0 HA ASP A 7 -13.643 0.287 -3.575 1.00 10.00 H new ATOM 0 HB2 ASP A 7 -15.813 1.823 -3.617 1.00 10.00 H new ATOM 0 HB3 ASP A 7 -14.721 3.134 -3.217 1.00 10.00 H new ATOM 111 N ILE A 8 -12.462 2.645 -1.617 1.00 10.00 N ATOM 112 CA ILE A 8 -11.176 3.313 -1.241 1.00 10.00 C ATOM 113 C ILE A 8 -10.351 2.390 -0.331 1.00 10.00 C ATOM 114 O ILE A 8 -9.161 2.226 -0.525 1.00 10.00 O ATOM 115 CB ILE A 8 -11.583 4.591 -0.493 1.00 10.00 C ATOM 116 CG1 ILE A 8 -12.291 5.549 -1.459 1.00 10.00 C ATOM 117 CG2 ILE A 8 -10.336 5.277 0.075 1.00 10.00 C ATOM 118 CD1 ILE A 8 -13.762 5.685 -1.065 1.00 10.00 C ATOM 0 H ILE A 8 -13.260 2.882 -1.028 1.00 10.00 H new ATOM 0 HA ILE A 8 -10.559 3.539 -2.111 1.00 10.00 H new ATOM 0 HB ILE A 8 -12.257 4.329 0.322 1.00 10.00 H new ATOM 0 HG12 ILE A 8 -11.807 6.525 -1.438 1.00 10.00 H new ATOM 0 HG13 ILE A 8 -12.211 5.176 -2.480 1.00 10.00 H new ATOM 0 HG21 ILE A 8 -10.629 6.183 0.605 1.00 10.00 H new ATOM 0 HG22 ILE A 8 -9.831 4.601 0.765 1.00 10.00 H new ATOM 0 HG23 ILE A 8 -9.660 5.536 -0.740 1.00 10.00 H new ATOM 0 HD11 ILE A 8 -14.262 6.366 -1.754 1.00 10.00 H new ATOM 0 HD12 ILE A 8 -14.242 4.708 -1.109 1.00 10.00 H new ATOM 0 HD13 ILE A 8 -13.832 6.078 -0.051 1.00 10.00 H new ATOM 130 N TRP A 9 -10.977 1.789 0.656 1.00 10.00 N ATOM 131 CA TRP A 9 -10.233 0.877 1.584 1.00 10.00 C ATOM 132 C TRP A 9 -9.563 -0.262 0.803 1.00 10.00 C ATOM 133 O TRP A 9 -8.433 -0.621 1.075 1.00 10.00 O ATOM 134 CB TRP A 9 -11.291 0.324 2.544 1.00 10.00 C ATOM 135 CG TRP A 9 -10.619 -0.446 3.640 1.00 10.00 C ATOM 136 CD1 TRP A 9 -10.976 -1.684 4.051 1.00 10.00 C ATOM 137 CD2 TRP A 9 -9.483 -0.053 4.466 1.00 10.00 C ATOM 138 NE1 TRP A 9 -10.132 -2.077 5.074 1.00 10.00 N ATOM 139 CE2 TRP A 9 -9.196 -1.106 5.366 1.00 10.00 C ATOM 140 CE3 TRP A 9 -8.684 1.104 4.521 1.00 10.00 C ATOM 141 CZ2 TRP A 9 -8.151 -1.015 6.287 1.00 10.00 C ATOM 142 CZ3 TRP A 9 -7.632 1.198 5.446 1.00 10.00 C ATOM 143 CH2 TRP A 9 -7.366 0.141 6.327 1.00 10.00 C ATOM 0 H TRP A 9 -11.971 1.891 0.858 1.00 10.00 H new ATOM 0 HA TRP A 9 -9.438 1.401 2.115 1.00 10.00 H new ATOM 0 HB2 TRP A 9 -11.877 1.141 2.966 1.00 10.00 H new ATOM 0 HB3 TRP A 9 -11.985 -0.321 2.005 1.00 10.00 H new ATOM 0 HD1 TRP A 9 -11.788 -2.270 3.646 1.00 10.00 H new ATOM 0 HE1 TRP A 9 -10.194 -2.975 5.554 1.00 10.00 H new ATOM 0 HE3 TRP A 9 -8.881 1.925 3.847 1.00 10.00 H new ATOM 0 HZ2 TRP A 9 -7.950 -1.832 6.964 1.00 10.00 H new ATOM 0 HZ3 TRP A 9 -7.024 2.090 5.479 1.00 10.00 H new ATOM 0 HH2 TRP A 9 -6.555 0.219 7.036 1.00 10.00 H new ATOM 154 N ASP A 10 -10.246 -0.825 -0.166 1.00 10.00 N ATOM 155 CA ASP A 10 -9.642 -1.934 -0.972 1.00 10.00 C ATOM 156 C ASP A 10 -8.353 -1.448 -1.650 1.00 10.00 C ATOM 157 O ASP A 10 -7.349 -2.138 -1.660 1.00 10.00 O ATOM 158 CB ASP A 10 -10.705 -2.293 -2.016 1.00 10.00 C ATOM 159 CG ASP A 10 -10.213 -3.455 -2.880 1.00 10.00 C ATOM 160 OD1 ASP A 10 -10.259 -4.580 -2.408 1.00 10.00 O ATOM 161 OD2 ASP A 10 -9.806 -3.202 -4.002 1.00 10.00 O ATOM 0 H ASP A 10 -11.195 -0.564 -0.433 1.00 10.00 H new ATOM 0 HA ASP A 10 -9.373 -2.795 -0.360 1.00 10.00 H new ATOM 0 HB2 ASP A 10 -11.637 -2.566 -1.520 1.00 10.00 H new ATOM 0 HB3 ASP A 10 -10.919 -1.427 -2.643 1.00 10.00 H new ATOM 166 N TRP A 11 -8.373 -0.257 -2.200 1.00 10.00 N ATOM 167 CA TRP A 11 -7.150 0.294 -2.865 1.00 10.00 C ATOM 168 C TRP A 11 -6.057 0.552 -1.819 1.00 10.00 C ATOM 169 O TRP A 11 -4.893 0.287 -2.053 1.00 10.00 O ATOM 170 CB TRP A 11 -7.611 1.603 -3.518 1.00 10.00 C ATOM 171 CG TRP A 11 -6.437 2.324 -4.103 1.00 10.00 C ATOM 172 CD1 TRP A 11 -5.890 2.066 -5.312 1.00 10.00 C ATOM 173 CD2 TRP A 11 -5.661 3.413 -3.526 1.00 10.00 C ATOM 174 NE1 TRP A 11 -4.827 2.928 -5.514 1.00 10.00 N ATOM 175 CE2 TRP A 11 -4.647 3.778 -4.441 1.00 10.00 C ATOM 176 CE3 TRP A 11 -5.739 4.112 -2.308 1.00 10.00 C ATOM 177 CZ2 TRP A 11 -3.741 4.801 -4.158 1.00 10.00 C ATOM 178 CZ3 TRP A 11 -4.829 5.142 -2.021 1.00 10.00 C ATOM 179 CH2 TRP A 11 -3.832 5.486 -2.944 1.00 10.00 C ATOM 0 H TRP A 11 -9.186 0.359 -2.217 1.00 10.00 H new ATOM 0 HA TRP A 11 -6.725 -0.391 -3.599 1.00 10.00 H new ATOM 0 HB2 TRP A 11 -8.344 1.392 -4.297 1.00 10.00 H new ATOM 0 HB3 TRP A 11 -8.104 2.234 -2.779 1.00 10.00 H new ATOM 0 HD1 TRP A 11 -6.228 1.311 -6.006 1.00 10.00 H new ATOM 0 HE1 TRP A 11 -4.247 2.935 -6.353 1.00 10.00 H new ATOM 0 HE3 TRP A 11 -6.503 3.855 -1.589 1.00 10.00 H new ATOM 0 HZ2 TRP A 11 -2.975 5.061 -4.873 1.00 10.00 H new ATOM 0 HZ3 TRP A 11 -4.898 5.673 -1.083 1.00 10.00 H new ATOM 0 HH2 TRP A 11 -3.135 6.279 -2.717 1.00 10.00 H new ATOM 190 N ILE A 12 -6.425 1.054 -0.663 1.00 10.00 N ATOM 191 CA ILE A 12 -5.406 1.310 0.405 1.00 10.00 C ATOM 192 C ILE A 12 -4.732 -0.014 0.795 1.00 10.00 C ATOM 193 O ILE A 12 -3.543 -0.064 1.045 1.00 10.00 O ATOM 194 CB ILE A 12 -6.188 1.901 1.589 1.00 10.00 C ATOM 195 CG1 ILE A 12 -6.608 3.338 1.258 1.00 10.00 C ATOM 196 CG2 ILE A 12 -5.307 1.908 2.843 1.00 10.00 C ATOM 197 CD1 ILE A 12 -7.618 3.832 2.298 1.00 10.00 C ATOM 0 H ILE A 12 -7.384 1.297 -0.414 1.00 10.00 H new ATOM 0 HA ILE A 12 -4.619 1.990 0.078 1.00 10.00 H new ATOM 0 HB ILE A 12 -7.073 1.292 1.773 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -5.734 3.989 1.247 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -7.048 3.378 0.262 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -5.867 2.328 3.679 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -5.008 0.888 3.083 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -4.419 2.513 2.660 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -7.915 4.854 2.060 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -8.497 3.187 2.287 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -7.162 3.808 3.288 1.00 10.00 H new ATOM 209 N CYS A 13 -5.489 -1.088 0.831 1.00 10.00 N ATOM 210 CA CYS A 13 -4.906 -2.417 1.185 1.00 10.00 C ATOM 211 C CYS A 13 -3.939 -2.873 0.085 1.00 10.00 C ATOM 212 O CYS A 13 -2.865 -3.372 0.365 1.00 10.00 O ATOM 213 CB CYS A 13 -6.103 -3.368 1.283 1.00 10.00 C ATOM 214 SG CYS A 13 -5.577 -4.929 2.033 1.00 10.00 S ATOM 0 H CYS A 13 -6.489 -1.097 0.629 1.00 10.00 H new ATOM 0 HA CYS A 13 -4.340 -2.387 2.116 1.00 10.00 H new ATOM 0 HB2 CYS A 13 -6.893 -2.914 1.880 1.00 10.00 H new ATOM 0 HB3 CYS A 13 -6.518 -3.551 0.292 1.00 10.00 H new ATOM 0 HG CYS A 13 -6.594 -5.734 2.117 1.00 10.00 H new ATOM 220 N GLU A 14 -4.304 -2.688 -1.166 1.00 10.00 N ATOM 221 CA GLU A 14 -3.390 -3.095 -2.276 1.00 10.00 C ATOM 222 C GLU A 14 -2.130 -2.231 -2.231 1.00 10.00 C ATOM 223 O GLU A 14 -1.021 -2.724 -2.325 1.00 10.00 O ATOM 224 CB GLU A 14 -4.175 -2.858 -3.572 1.00 10.00 C ATOM 225 CG GLU A 14 -4.215 -4.153 -4.391 1.00 10.00 C ATOM 226 CD GLU A 14 -2.794 -4.555 -4.800 1.00 10.00 C ATOM 227 OE1 GLU A 14 -2.158 -5.268 -4.040 1.00 10.00 O ATOM 228 OE2 GLU A 14 -2.367 -4.142 -5.865 1.00 10.00 O ATOM 0 H GLU A 14 -5.189 -2.276 -1.460 1.00 10.00 H new ATOM 0 HA GLU A 14 -3.076 -4.136 -2.200 1.00 10.00 H new ATOM 0 HB2 GLU A 14 -5.189 -2.530 -3.341 1.00 10.00 H new ATOM 0 HB3 GLU A 14 -3.707 -2.063 -4.152 1.00 10.00 H new ATOM 0 HG2 GLU A 14 -4.674 -4.950 -3.806 1.00 10.00 H new ATOM 0 HG3 GLU A 14 -4.833 -4.014 -5.278 1.00 10.00 H new ATOM 235 N VAL A 15 -2.299 -0.945 -2.051 1.00 10.00 N ATOM 236 CA VAL A 15 -1.117 -0.032 -1.955 1.00 10.00 C ATOM 237 C VAL A 15 -0.306 -0.402 -0.707 1.00 10.00 C ATOM 238 O VAL A 15 0.905 -0.303 -0.696 1.00 10.00 O ATOM 239 CB VAL A 15 -1.698 1.383 -1.831 1.00 10.00 C ATOM 240 CG1 VAL A 15 -0.572 2.383 -1.550 1.00 10.00 C ATOM 241 CG2 VAL A 15 -2.398 1.767 -3.138 1.00 10.00 C ATOM 0 H VAL A 15 -3.206 -0.486 -1.966 1.00 10.00 H new ATOM 0 HA VAL A 15 -0.453 -0.105 -2.817 1.00 10.00 H new ATOM 0 HB VAL A 15 -2.415 1.403 -1.011 1.00 10.00 H new ATOM 0 HG11 VAL A 15 -0.990 3.386 -1.463 1.00 10.00 H new ATOM 0 HG12 VAL A 15 -0.072 2.116 -0.619 1.00 10.00 H new ATOM 0 HG13 VAL A 15 0.148 2.360 -2.368 1.00 10.00 H new ATOM 0 HG21 VAL A 15 -2.810 2.772 -3.048 1.00 10.00 H new ATOM 0 HG22 VAL A 15 -1.679 1.741 -3.957 1.00 10.00 H new ATOM 0 HG23 VAL A 15 -3.204 1.061 -3.340 1.00 10.00 H new ATOM 251 N LEU A 16 -0.973 -0.848 0.335 1.00 10.00 N ATOM 252 CA LEU A 16 -0.257 -1.253 1.584 1.00 10.00 C ATOM 253 C LEU A 16 0.735 -2.379 1.264 1.00 10.00 C ATOM 254 O LEU A 16 1.832 -2.413 1.787 1.00 10.00 O ATOM 255 CB LEU A 16 -1.351 -1.754 2.538 1.00 10.00 C ATOM 256 CG LEU A 16 -1.177 -1.118 3.923 1.00 10.00 C ATOM 257 CD1 LEU A 16 0.237 -1.387 4.445 1.00 10.00 C ATOM 258 CD2 LEU A 16 -1.410 0.394 3.830 1.00 10.00 C ATOM 0 H LEU A 16 -1.987 -0.948 0.371 1.00 10.00 H new ATOM 0 HA LEU A 16 0.310 -0.432 2.023 1.00 10.00 H new ATOM 0 HB2 LEU A 16 -2.334 -1.507 2.137 1.00 10.00 H new ATOM 0 HB3 LEU A 16 -1.303 -2.840 2.620 1.00 10.00 H new ATOM 0 HG LEU A 16 -1.902 -1.555 4.609 1.00 10.00 H new ATOM 0 HD11 LEU A 16 0.354 -0.933 5.429 1.00 10.00 H new ATOM 0 HD12 LEU A 16 0.399 -2.462 4.520 1.00 10.00 H new ATOM 0 HD13 LEU A 16 0.966 -0.958 3.758 1.00 10.00 H new ATOM 0 HD21 LEU A 16 -1.286 0.843 4.816 1.00 10.00 H new ATOM 0 HD22 LEU A 16 -0.690 0.831 3.139 1.00 10.00 H new ATOM 0 HD23 LEU A 16 -2.421 0.585 3.469 1.00 10.00 H new ATOM 270 N SER A 17 0.357 -3.288 0.391 1.00 10.00 N ATOM 271 CA SER A 17 1.281 -4.402 0.015 1.00 10.00 C ATOM 272 C SER A 17 2.525 -3.818 -0.660 1.00 10.00 C ATOM 273 O SER A 17 3.643 -4.163 -0.327 1.00 10.00 O ATOM 274 CB SER A 17 0.494 -5.276 -0.965 1.00 10.00 C ATOM 275 OG SER A 17 0.173 -6.510 -0.338 1.00 10.00 O ATOM 0 H SER A 17 -0.550 -3.303 -0.074 1.00 10.00 H new ATOM 0 HA SER A 17 1.613 -4.980 0.878 1.00 10.00 H new ATOM 0 HB2 SER A 17 -0.417 -4.765 -1.276 1.00 10.00 H new ATOM 0 HB3 SER A 17 1.082 -5.454 -1.865 1.00 10.00 H new ATOM 0 HG SER A 17 -0.333 -7.072 -0.962 1.00 10.00 H new ATOM 281 N ASP A 18 2.333 -2.916 -1.594 1.00 10.00 N ATOM 282 CA ASP A 18 3.501 -2.283 -2.275 1.00 10.00 C ATOM 283 C ASP A 18 4.261 -1.411 -1.275 1.00 10.00 C ATOM 284 O ASP A 18 5.470 -1.415 -1.246 1.00 10.00 O ATOM 285 CB ASP A 18 2.909 -1.425 -3.400 1.00 10.00 C ATOM 286 CG ASP A 18 4.009 -0.551 -4.015 1.00 10.00 C ATOM 287 OD1 ASP A 18 4.666 -1.017 -4.931 1.00 10.00 O ATOM 288 OD2 ASP A 18 4.177 0.569 -3.560 1.00 10.00 O ATOM 0 H ASP A 18 1.419 -2.593 -1.912 1.00 10.00 H new ATOM 0 HA ASP A 18 4.202 -3.020 -2.668 1.00 10.00 H new ATOM 0 HB2 ASP A 18 2.469 -2.064 -4.165 1.00 10.00 H new ATOM 0 HB3 ASP A 18 2.108 -0.797 -3.009 1.00 10.00 H new ATOM 293 N PHE A 19 3.554 -0.673 -0.451 1.00 10.00 N ATOM 294 CA PHE A 19 4.235 0.196 0.560 1.00 10.00 C ATOM 295 C PHE A 19 5.229 -0.634 1.380 1.00 10.00 C ATOM 296 O PHE A 19 6.332 -0.202 1.649 1.00 10.00 O ATOM 297 CB PHE A 19 3.114 0.729 1.458 1.00 10.00 C ATOM 298 CG PHE A 19 3.218 2.233 1.555 1.00 10.00 C ATOM 299 CD1 PHE A 19 2.813 3.034 0.480 1.00 10.00 C ATOM 300 CD2 PHE A 19 3.722 2.826 2.719 1.00 10.00 C ATOM 301 CE1 PHE A 19 2.912 4.428 0.569 1.00 10.00 C ATOM 302 CE2 PHE A 19 3.820 4.220 2.808 1.00 10.00 C ATOM 303 CZ PHE A 19 3.415 5.021 1.734 1.00 10.00 C ATOM 0 H PHE A 19 2.535 -0.636 -0.436 1.00 10.00 H new ATOM 0 HA PHE A 19 4.797 1.005 0.094 1.00 10.00 H new ATOM 0 HB2 PHE A 19 2.143 0.446 1.052 1.00 10.00 H new ATOM 0 HB3 PHE A 19 3.186 0.284 2.450 1.00 10.00 H new ATOM 0 HD1 PHE A 19 2.424 2.577 -0.418 1.00 10.00 H new ATOM 0 HD2 PHE A 19 4.035 2.208 3.548 1.00 10.00 H new ATOM 0 HE1 PHE A 19 2.601 5.046 -0.260 1.00 10.00 H new ATOM 0 HE2 PHE A 19 4.208 4.677 3.706 1.00 10.00 H new ATOM 0 HZ PHE A 19 3.490 6.096 1.804 1.00 10.00 H new ATOM 313 N LYS A 20 4.844 -1.828 1.766 1.00 10.00 N ATOM 314 CA LYS A 20 5.766 -2.699 2.560 1.00 10.00 C ATOM 315 C LYS A 20 7.058 -2.969 1.772 1.00 10.00 C ATOM 316 O LYS A 20 8.137 -3.006 2.335 1.00 10.00 O ATOM 317 CB LYS A 20 4.993 -4.001 2.788 1.00 10.00 C ATOM 318 CG LYS A 20 5.700 -4.832 3.861 1.00 10.00 C ATOM 319 CD LYS A 20 5.087 -6.235 3.912 1.00 10.00 C ATOM 320 CE LYS A 20 5.579 -6.968 5.165 1.00 10.00 C ATOM 321 NZ LYS A 20 6.934 -7.484 4.815 1.00 10.00 N ATOM 0 H LYS A 20 3.931 -2.236 1.565 1.00 10.00 H new ATOM 0 HA LYS A 20 6.061 -2.232 3.500 1.00 10.00 H new ATOM 0 HB2 LYS A 20 3.971 -3.781 3.098 1.00 10.00 H new ATOM 0 HB3 LYS A 20 4.929 -4.566 1.858 1.00 10.00 H new ATOM 0 HG2 LYS A 20 6.766 -4.898 3.641 1.00 10.00 H new ATOM 0 HG3 LYS A 20 5.604 -4.347 4.832 1.00 10.00 H new ATOM 0 HD2 LYS A 20 3.999 -6.167 3.922 1.00 10.00 H new ATOM 0 HD3 LYS A 20 5.363 -6.796 3.019 1.00 10.00 H new ATOM 0 HE2 LYS A 20 5.624 -6.295 6.022 1.00 10.00 H new ATOM 0 HE3 LYS A 20 4.906 -7.782 5.434 1.00 10.00 H new ATOM 0 HZ1 LYS A 20 7.331 -7.997 5.628 1.00 10.00 H new ATOM 0 HZ2 LYS A 20 6.861 -8.128 4.002 1.00 10.00 H new ATOM 0 HZ3 LYS A 20 7.557 -6.687 4.571 1.00 10.00 H new ATOM 335 N THR A 21 6.958 -3.151 0.476 1.00 10.00 N ATOM 336 CA THR A 21 8.185 -3.410 -0.342 1.00 10.00 C ATOM 337 C THR A 21 8.811 -2.084 -0.786 1.00 10.00 C ATOM 338 O THR A 21 10.017 -1.936 -0.793 1.00 10.00 O ATOM 339 CB THR A 21 7.713 -4.214 -1.563 1.00 10.00 C ATOM 340 OG1 THR A 21 6.713 -5.147 -1.170 1.00 10.00 O ATOM 341 CG2 THR A 21 8.901 -4.968 -2.168 1.00 10.00 C ATOM 0 H THR A 21 6.083 -3.131 -0.048 1.00 10.00 H new ATOM 0 HA THR A 21 8.941 -3.953 0.225 1.00 10.00 H new ATOM 0 HB THR A 21 7.297 -3.530 -2.303 1.00 10.00 H new ATOM 0 HG1 THR A 21 6.414 -5.656 -1.953 1.00 10.00 H new ATOM 0 HG21 THR A 21 8.567 -5.539 -3.034 1.00 10.00 H new ATOM 0 HG22 THR A 21 9.666 -4.255 -2.476 1.00 10.00 H new ATOM 0 HG23 THR A 21 9.317 -5.648 -1.425 1.00 10.00 H new ATOM 349 N TRP A 22 7.999 -1.120 -1.151 1.00 10.00 N ATOM 350 CA TRP A 22 8.538 0.206 -1.588 1.00 10.00 C ATOM 351 C TRP A 22 9.396 0.813 -0.477 1.00 10.00 C ATOM 352 O TRP A 22 10.485 1.298 -0.716 1.00 10.00 O ATOM 353 CB TRP A 22 7.303 1.076 -1.842 1.00 10.00 C ATOM 354 CG TRP A 22 7.617 2.101 -2.884 1.00 10.00 C ATOM 355 CD1 TRP A 22 7.309 1.996 -4.198 1.00 10.00 C ATOM 356 CD2 TRP A 22 8.292 3.382 -2.723 1.00 10.00 C ATOM 357 NE1 TRP A 22 7.754 3.132 -4.852 1.00 10.00 N ATOM 358 CE2 TRP A 22 8.367 4.015 -3.985 1.00 10.00 C ATOM 359 CE3 TRP A 22 8.842 4.047 -1.613 1.00 10.00 C ATOM 360 CZ2 TRP A 22 8.966 5.265 -4.142 1.00 10.00 C ATOM 361 CZ3 TRP A 22 9.446 5.306 -1.767 1.00 10.00 C ATOM 362 CH2 TRP A 22 9.508 5.913 -3.028 1.00 10.00 C ATOM 0 H TRP A 22 6.982 -1.196 -1.165 1.00 10.00 H new ATOM 0 HA TRP A 22 9.167 0.124 -2.474 1.00 10.00 H new ATOM 0 HB2 TRP A 22 6.469 0.455 -2.168 1.00 10.00 H new ATOM 0 HB3 TRP A 22 6.994 1.565 -0.918 1.00 10.00 H new ATOM 0 HD1 TRP A 22 6.800 1.163 -4.660 1.00 10.00 H new ATOM 0 HE1 TRP A 22 7.643 3.297 -5.852 1.00 10.00 H new ATOM 0 HE3 TRP A 22 8.800 3.587 -0.637 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 9.011 5.729 -5.116 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 9.865 5.809 -0.908 1.00 10.00 H new ATOM 0 HH2 TRP A 22 9.974 6.881 -3.140 1.00 10.00 H new ATOM 373 N LEU A 23 8.907 0.783 0.739 1.00 10.00 N ATOM 374 CA LEU A 23 9.686 1.351 1.884 1.00 10.00 C ATOM 375 C LEU A 23 10.971 0.543 2.104 1.00 10.00 C ATOM 376 O LEU A 23 12.025 1.099 2.350 1.00 10.00 O ATOM 377 CB LEU A 23 8.759 1.237 3.104 1.00 10.00 C ATOM 378 CG LEU A 23 7.953 2.533 3.284 1.00 10.00 C ATOM 379 CD1 LEU A 23 8.899 3.691 3.609 1.00 10.00 C ATOM 380 CD2 LEU A 23 7.178 2.854 2.000 1.00 10.00 C ATOM 0 H LEU A 23 8.000 0.389 0.988 1.00 10.00 H new ATOM 0 HA LEU A 23 9.987 2.383 1.702 1.00 10.00 H new ATOM 0 HB2 LEU A 23 8.081 0.394 2.976 1.00 10.00 H new ATOM 0 HB3 LEU A 23 9.348 1.040 4.000 1.00 10.00 H new ATOM 0 HG LEU A 23 7.248 2.397 4.104 1.00 10.00 H new ATOM 0 HD11 LEU A 23 8.322 4.607 3.736 1.00 10.00 H new ATOM 0 HD12 LEU A 23 9.439 3.472 4.530 1.00 10.00 H new ATOM 0 HD13 LEU A 23 9.610 3.820 2.793 1.00 10.00 H new ATOM 0 HD21 LEU A 23 6.610 3.774 2.138 1.00 10.00 H new ATOM 0 HD22 LEU A 23 7.878 2.980 1.174 1.00 10.00 H new ATOM 0 HD23 LEU A 23 6.494 2.036 1.774 1.00 10.00 H new ATOM 392 N LYS A 24 10.895 -0.767 2.006 1.00 10.00 N ATOM 393 CA LYS A 24 12.119 -1.608 2.199 1.00 10.00 C ATOM 394 C LYS A 24 13.055 -1.459 0.993 1.00 10.00 C ATOM 395 O LYS A 24 14.261 -1.529 1.126 1.00 10.00 O ATOM 396 CB LYS A 24 11.609 -3.046 2.312 1.00 10.00 C ATOM 397 CG LYS A 24 12.694 -3.926 2.941 1.00 10.00 C ATOM 398 CD LYS A 24 12.690 -5.303 2.270 1.00 10.00 C ATOM 399 CE LYS A 24 12.867 -6.391 3.333 1.00 10.00 C ATOM 400 NZ LYS A 24 12.764 -7.680 2.592 1.00 10.00 N ATOM 0 H LYS A 24 10.041 -1.286 1.802 1.00 10.00 H new ATOM 0 HA LYS A 24 12.686 -1.313 3.082 1.00 10.00 H new ATOM 0 HB2 LYS A 24 10.705 -3.075 2.920 1.00 10.00 H new ATOM 0 HB3 LYS A 24 11.343 -3.427 1.326 1.00 10.00 H new ATOM 0 HG2 LYS A 24 13.671 -3.456 2.825 1.00 10.00 H new ATOM 0 HG3 LYS A 24 12.516 -4.031 4.011 1.00 10.00 H new ATOM 0 HD2 LYS A 24 11.754 -5.454 1.732 1.00 10.00 H new ATOM 0 HD3 LYS A 24 13.493 -5.364 1.535 1.00 10.00 H new ATOM 0 HE2 LYS A 24 13.831 -6.300 3.833 1.00 10.00 H new ATOM 0 HE3 LYS A 24 12.100 -6.317 4.104 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 12.876 -8.472 3.256 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 11.833 -7.743 2.132 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 13.511 -7.726 1.870 1.00 10.00 H new ATOM 414 N ALA A 25 12.507 -1.251 -0.181 1.00 10.00 N ATOM 415 CA ALA A 25 13.362 -1.089 -1.398 1.00 10.00 C ATOM 416 C ALA A 25 14.117 0.246 -1.341 1.00 10.00 C ATOM 417 O ALA A 25 15.259 0.336 -1.749 1.00 10.00 O ATOM 418 CB ALA A 25 12.387 -1.103 -2.578 1.00 10.00 C ATOM 0 H ALA A 25 11.503 -1.187 -0.348 1.00 10.00 H new ATOM 0 HA ALA A 25 14.111 -1.876 -1.481 1.00 10.00 H new ATOM 0 HB1 ALA A 25 12.941 -0.988 -3.509 1.00 10.00 H new ATOM 0 HB2 ALA A 25 11.846 -2.049 -2.592 1.00 10.00 H new ATOM 0 HB3 ALA A 25 11.678 -0.281 -2.474 1.00 10.00 H new ATOM 424 N LYS A 26 13.489 1.280 -0.836 1.00 10.00 N ATOM 425 CA LYS A 26 14.168 2.611 -0.749 1.00 10.00 C ATOM 426 C LYS A 26 15.180 2.627 0.408 1.00 10.00 C ATOM 427 O LYS A 26 16.215 3.261 0.321 1.00 10.00 O ATOM 428 CB LYS A 26 13.042 3.617 -0.491 1.00 10.00 C ATOM 429 CG LYS A 26 13.616 5.038 -0.490 1.00 10.00 C ATOM 430 CD LYS A 26 12.808 5.922 -1.447 1.00 10.00 C ATOM 431 CE LYS A 26 13.728 6.977 -2.072 1.00 10.00 C ATOM 432 NZ LYS A 26 13.902 8.022 -1.021 1.00 10.00 N ATOM 0 H LYS A 26 12.534 1.260 -0.480 1.00 10.00 H new ATOM 0 HA LYS A 26 14.726 2.844 -1.656 1.00 10.00 H new ATOM 0 HB2 LYS A 26 12.274 3.524 -1.259 1.00 10.00 H new ATOM 0 HB3 LYS A 26 12.564 3.406 0.465 1.00 10.00 H new ATOM 0 HG2 LYS A 26 13.585 5.453 0.518 1.00 10.00 H new ATOM 0 HG3 LYS A 26 14.663 5.018 -0.794 1.00 10.00 H new ATOM 0 HD2 LYS A 26 12.355 5.311 -2.228 1.00 10.00 H new ATOM 0 HD3 LYS A 26 11.993 6.408 -0.910 1.00 10.00 H new ATOM 0 HE2 LYS A 26 14.686 6.543 -2.358 1.00 10.00 H new ATOM 0 HE3 LYS A 26 13.287 7.398 -2.975 1.00 10.00 H new ATOM 0 HZ1 LYS A 26 14.493 8.793 -1.392 1.00 10.00 H new ATOM 0 HZ2 LYS A 26 12.972 8.399 -0.749 1.00 10.00 H new ATOM 0 HZ3 LYS A 26 14.362 7.603 -0.188 1.00 10.00 H new ATOM 446 N LEU A 27 14.887 1.942 1.487 1.00 10.00 N ATOM 447 CA LEU A 27 15.831 1.926 2.647 1.00 10.00 C ATOM 448 C LEU A 27 16.879 0.822 2.463 1.00 10.00 C ATOM 449 O LEU A 27 18.066 1.067 2.570 1.00 10.00 O ATOM 450 CB LEU A 27 14.956 1.640 3.876 1.00 10.00 C ATOM 451 CG LEU A 27 15.358 2.557 5.038 1.00 10.00 C ATOM 452 CD1 LEU A 27 16.824 2.314 5.411 1.00 10.00 C ATOM 453 CD2 LEU A 27 15.172 4.023 4.628 1.00 10.00 C ATOM 0 H LEU A 27 14.036 1.394 1.614 1.00 10.00 H new ATOM 0 HA LEU A 27 16.374 2.866 2.747 1.00 10.00 H new ATOM 0 HB2 LEU A 27 13.906 1.795 3.628 1.00 10.00 H new ATOM 0 HB3 LEU A 27 15.063 0.597 4.173 1.00 10.00 H new ATOM 0 HG LEU A 27 14.726 2.337 5.899 1.00 10.00 H new ATOM 0 HD11 LEU A 27 17.103 2.969 6.237 1.00 10.00 H new ATOM 0 HD12 LEU A 27 16.955 1.275 5.712 1.00 10.00 H new ATOM 0 HD13 LEU A 27 17.458 2.526 4.550 1.00 10.00 H new ATOM 0 HD21 LEU A 27 15.459 4.672 5.456 1.00 10.00 H new ATOM 0 HD22 LEU A 27 15.798 4.241 3.763 1.00 10.00 H new ATOM 0 HD23 LEU A 27 14.127 4.200 4.373 1.00 10.00 H new ATOM 465 N MET A 28 16.445 -0.388 2.187 1.00 10.00 N ATOM 466 CA MET A 28 17.399 -1.531 1.995 1.00 10.00 C ATOM 467 C MET A 28 18.403 -1.603 3.161 1.00 10.00 C ATOM 468 O MET A 28 19.597 -1.473 2.962 1.00 10.00 O ATOM 469 CB MET A 28 18.114 -1.242 0.669 1.00 10.00 C ATOM 470 CG MET A 28 17.291 -1.809 -0.490 1.00 10.00 C ATOM 471 SD MET A 28 18.050 -1.327 -2.061 1.00 10.00 S ATOM 472 CE MET A 28 16.820 -2.086 -3.150 1.00 10.00 C ATOM 0 H MET A 28 15.460 -0.634 2.086 1.00 10.00 H new ATOM 0 HA MET A 28 16.886 -2.492 1.973 1.00 10.00 H new ATOM 0 HB2 MET A 28 18.248 -0.168 0.542 1.00 10.00 H new ATOM 0 HB3 MET A 28 19.108 -1.688 0.675 1.00 10.00 H new ATOM 0 HG2 MET A 28 17.240 -2.895 -0.417 1.00 10.00 H new ATOM 0 HG3 MET A 28 16.267 -1.438 -0.439 1.00 10.00 H new ATOM 0 HE1 MET A 28 17.322 -2.546 -4.001 1.00 10.00 H new ATOM 0 HE2 MET A 28 16.267 -2.847 -2.600 1.00 10.00 H new ATOM 0 HE3 MET A 28 16.129 -1.322 -3.506 1.00 10.00 H new ATOM 482 N PRO A 29 17.880 -1.807 4.350 1.00 10.00 N ATOM 483 CA PRO A 29 18.742 -1.893 5.558 1.00 10.00 C ATOM 484 C PRO A 29 19.495 -3.229 5.608 1.00 10.00 C ATOM 485 O PRO A 29 19.335 -4.080 4.753 1.00 10.00 O ATOM 486 CB PRO A 29 17.753 -1.788 6.715 1.00 10.00 C ATOM 487 CG PRO A 29 16.445 -2.259 6.160 1.00 10.00 C ATOM 488 CD PRO A 29 16.456 -1.975 4.679 1.00 10.00 C ATOM 0 HA PRO A 29 19.509 -1.119 5.581 1.00 10.00 H new ATOM 0 HB2 PRO A 29 18.067 -2.403 7.558 1.00 10.00 H new ATOM 0 HB3 PRO A 29 17.680 -0.763 7.078 1.00 10.00 H new ATOM 0 HG2 PRO A 29 16.311 -3.325 6.346 1.00 10.00 H new ATOM 0 HG3 PRO A 29 15.615 -1.744 6.644 1.00 10.00 H new ATOM 0 HD2 PRO A 29 16.011 -2.794 4.114 1.00 10.00 H new ATOM 0 HD3 PRO A 29 15.885 -1.077 4.442 1.00 10.00 H new ATOM 496 N GLN A 30 20.310 -3.413 6.616 1.00 10.00 N ATOM 497 CA GLN A 30 21.079 -4.692 6.745 1.00 10.00 C ATOM 498 C GLN A 30 20.166 -5.817 7.255 1.00 10.00 C ATOM 499 O GLN A 30 20.394 -6.980 6.981 1.00 10.00 O ATOM 500 CB GLN A 30 22.187 -4.399 7.763 1.00 10.00 C ATOM 501 CG GLN A 30 23.435 -3.893 7.034 1.00 10.00 C ATOM 502 CD GLN A 30 24.325 -5.080 6.654 1.00 10.00 C ATOM 503 OE1 GLN A 30 23.944 -5.906 5.848 1.00 10.00 O ATOM 504 NE2 GLN A 30 25.504 -5.202 7.201 1.00 10.00 N ATOM 0 H GLN A 30 20.477 -2.733 7.357 1.00 10.00 H new ATOM 0 HA GLN A 30 21.484 -5.021 5.788 1.00 10.00 H new ATOM 0 HB2 GLN A 30 21.846 -3.654 8.482 1.00 10.00 H new ATOM 0 HB3 GLN A 30 22.424 -5.301 8.327 1.00 10.00 H new ATOM 0 HG2 GLN A 30 23.147 -3.340 6.140 1.00 10.00 H new ATOM 0 HG3 GLN A 30 23.986 -3.202 7.672 1.00 10.00 H new ATOM 0 HE21 GLN A 30 25.826 -4.510 7.878 1.00 10.00 H new ATOM 0 HE22 GLN A 30 26.103 -5.989 6.952 1.00 10.00 H new ATOM 513 N LEU A 31 19.135 -5.476 7.994 1.00 10.00 N ATOM 514 CA LEU A 31 18.204 -6.518 8.521 1.00 10.00 C ATOM 515 C LEU A 31 16.757 -6.006 8.480 1.00 10.00 C ATOM 516 O LEU A 31 16.547 -4.844 8.793 1.00 10.00 O ATOM 517 CB LEU A 31 18.651 -6.759 9.966 1.00 10.00 C ATOM 518 CG LEU A 31 18.464 -8.236 10.323 1.00 10.00 C ATOM 519 CD1 LEU A 31 19.605 -9.059 9.720 1.00 10.00 C ATOM 520 CD2 LEU A 31 18.471 -8.397 11.846 1.00 10.00 C ATOM 521 OXT LEU A 31 15.887 -6.787 8.136 1.00 10.00 O ATOM 0 H LEU A 31 18.901 -4.518 8.254 1.00 10.00 H new ATOM 0 HA LEU A 31 18.232 -7.434 7.930 1.00 10.00 H new ATOM 0 HB2 LEU A 31 19.697 -6.475 10.086 1.00 10.00 H new ATOM 0 HB3 LEU A 31 18.071 -6.134 10.645 1.00 10.00 H new ATOM 0 HG LEU A 31 17.513 -8.587 9.922 1.00 10.00 H new ATOM 0 HD11 LEU A 31 19.470 -10.110 9.975 1.00 10.00 H new ATOM 0 HD12 LEU A 31 19.602 -8.946 8.636 1.00 10.00 H new ATOM 0 HD13 LEU A 31 20.557 -8.708 10.119 1.00 10.00 H new ATOM 0 HD21 LEU A 31 18.338 -9.448 12.101 1.00 10.00 H new ATOM 0 HD22 LEU A 31 19.422 -8.044 12.245 1.00 10.00 H new ATOM 0 HD23 LEU A 31 17.658 -7.813 12.277 1.00 10.00 H new TER 533 LEU A 31