USER MOD reduce.3.24.130724 H: found=0, std=0, add=266, rem=0, adj=7 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+ 141:sc= 0.101 (180deg=0.0059) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0561 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= -0.144 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+ 173:sc= 0.847 (180deg=0.808) 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 -27.584 3.757 -2.475 1.00 10.00 N ATOM 2 CA SER A 1 -26.550 2.678 -2.441 1.00 10.00 C ATOM 3 C SER A 1 -25.162 3.282 -2.199 1.00 10.00 C ATOM 4 O SER A 1 -24.724 4.158 -2.922 1.00 10.00 O ATOM 5 CB SER A 1 -26.617 2.015 -3.820 1.00 10.00 C ATOM 6 OG SER A 1 -27.949 1.581 -4.070 1.00 10.00 O ATOM 0 H1 SER A 1 -28.284 3.543 -3.214 1.00 10.00 H new ATOM 0 H2 SER A 1 -28.060 3.811 -1.552 1.00 10.00 H new ATOM 0 H3 SER A 1 -27.128 4.668 -2.683 1.00 10.00 H new ATOM 0 HA SER A 1 -26.728 1.962 -1.639 1.00 10.00 H new ATOM 0 HB2 SER A 1 -26.301 2.719 -4.590 1.00 10.00 H new ATOM 0 HB3 SER A 1 -25.932 1.168 -3.862 1.00 10.00 H new ATOM 0 HG SER A 1 -27.995 1.158 -4.953 1.00 10.00 H new ATOM 14 N GLY A 2 -24.471 2.823 -1.185 1.00 10.00 N ATOM 15 CA GLY A 2 -23.113 3.368 -0.887 1.00 10.00 C ATOM 16 C GLY A 2 -22.052 2.330 -1.257 1.00 10.00 C ATOM 17 O GLY A 2 -21.512 1.653 -0.402 1.00 10.00 O ATOM 0 H GLY A 2 -24.791 2.092 -0.550 1.00 10.00 H new ATOM 0 HA2 GLY A 2 -22.948 4.288 -1.448 1.00 10.00 H new ATOM 0 HA3 GLY A 2 -23.036 3.621 0.170 1.00 10.00 H new ATOM 21 N SER A 3 -21.748 2.202 -2.524 1.00 10.00 N ATOM 22 CA SER A 3 -20.719 1.206 -2.954 1.00 10.00 C ATOM 23 C SER A 3 -19.395 1.914 -3.277 1.00 10.00 C ATOM 24 O SER A 3 -18.745 1.617 -4.261 1.00 10.00 O ATOM 25 CB SER A 3 -21.303 0.545 -4.205 1.00 10.00 C ATOM 26 OG SER A 3 -21.017 -0.847 -4.173 1.00 10.00 O ATOM 0 H SER A 3 -22.168 2.744 -3.279 1.00 10.00 H new ATOM 0 HA SER A 3 -20.501 0.475 -2.176 1.00 10.00 H new ATOM 0 HB2 SER A 3 -22.380 0.707 -4.247 1.00 10.00 H new ATOM 0 HB3 SER A 3 -20.878 0.996 -5.102 1.00 10.00 H new ATOM 0 HG SER A 3 -21.390 -1.276 -4.971 1.00 10.00 H new ATOM 32 N TRP A 4 -18.991 2.845 -2.447 1.00 10.00 N ATOM 33 CA TRP A 4 -17.709 3.576 -2.693 1.00 10.00 C ATOM 34 C TRP A 4 -16.660 3.201 -1.632 1.00 10.00 C ATOM 35 O TRP A 4 -15.471 3.282 -1.877 1.00 10.00 O ATOM 36 CB TRP A 4 -18.074 5.061 -2.590 1.00 10.00 C ATOM 37 CG TRP A 4 -17.789 5.738 -3.893 1.00 10.00 C ATOM 38 CD1 TRP A 4 -18.469 5.525 -5.045 1.00 10.00 C ATOM 39 CD2 TRP A 4 -16.768 6.732 -4.200 1.00 10.00 C ATOM 40 NE1 TRP A 4 -17.929 6.323 -6.037 1.00 10.00 N ATOM 41 CE2 TRP A 4 -16.877 7.084 -5.566 1.00 10.00 C ATOM 42 CE3 TRP A 4 -15.765 7.354 -3.433 1.00 10.00 C ATOM 43 CZ2 TRP A 4 -16.023 8.021 -6.151 1.00 10.00 C ATOM 44 CZ3 TRP A 4 -14.905 8.297 -4.019 1.00 10.00 C ATOM 45 CH2 TRP A 4 -15.034 8.629 -5.376 1.00 10.00 C ATOM 0 H TRP A 4 -19.495 3.131 -1.608 1.00 10.00 H new ATOM 0 HA TRP A 4 -17.275 3.327 -3.661 1.00 10.00 H new ATOM 0 HB2 TRP A 4 -19.128 5.170 -2.335 1.00 10.00 H new ATOM 0 HB3 TRP A 4 -17.502 5.532 -1.791 1.00 10.00 H new ATOM 0 HD1 TRP A 4 -19.298 4.843 -5.169 1.00 10.00 H new ATOM 0 HE1 TRP A 4 -18.266 6.347 -6.999 1.00 10.00 H new ATOM 0 HE3 TRP A 4 -15.656 7.105 -2.388 1.00 10.00 H new ATOM 0 HZ2 TRP A 4 -16.127 8.274 -7.196 1.00 10.00 H new ATOM 0 HZ3 TRP A 4 -14.140 8.770 -3.421 1.00 10.00 H new ATOM 0 HH2 TRP A 4 -14.369 9.354 -5.821 1.00 10.00 H new ATOM 56 N LEU A 5 -17.091 2.790 -0.460 1.00 10.00 N ATOM 57 CA LEU A 5 -16.118 2.408 0.614 1.00 10.00 C ATOM 58 C LEU A 5 -15.244 1.235 0.150 1.00 10.00 C ATOM 59 O LEU A 5 -14.049 1.226 0.362 1.00 10.00 O ATOM 60 CB LEU A 5 -16.978 1.994 1.813 1.00 10.00 C ATOM 61 CG LEU A 5 -16.154 2.100 3.102 1.00 10.00 C ATOM 62 CD1 LEU A 5 -17.088 2.351 4.287 1.00 10.00 C ATOM 63 CD2 LEU A 5 -15.384 0.794 3.330 1.00 10.00 C ATOM 0 H LEU A 5 -18.074 2.703 -0.202 1.00 10.00 H new ATOM 0 HA LEU A 5 -15.444 3.228 0.863 1.00 10.00 H new ATOM 0 HB2 LEU A 5 -17.858 2.633 1.879 1.00 10.00 H new ATOM 0 HB3 LEU A 5 -17.335 0.973 1.681 1.00 10.00 H new ATOM 0 HG LEU A 5 -15.449 2.926 3.011 1.00 10.00 H new ATOM 0 HD11 LEU A 5 -16.502 2.426 5.203 1.00 10.00 H new ATOM 0 HD12 LEU A 5 -17.635 3.281 4.129 1.00 10.00 H new ATOM 0 HD13 LEU A 5 -17.794 1.525 4.375 1.00 10.00 H new ATOM 0 HD21 LEU A 5 -14.799 0.872 4.247 1.00 10.00 H new ATOM 0 HD22 LEU A 5 -16.088 -0.033 3.418 1.00 10.00 H new ATOM 0 HD23 LEU A 5 -14.716 0.614 2.488 1.00 10.00 H new ATOM 75 N ARG A 6 -15.832 0.251 -0.489 1.00 10.00 N ATOM 76 CA ARG A 6 -15.031 -0.918 -0.976 1.00 10.00 C ATOM 77 C ARG A 6 -13.975 -0.451 -1.989 1.00 10.00 C ATOM 78 O ARG A 6 -12.861 -0.933 -1.997 1.00 10.00 O ATOM 79 CB ARG A 6 -16.047 -1.853 -1.643 1.00 10.00 C ATOM 80 CG ARG A 6 -15.372 -3.180 -2.006 1.00 10.00 C ATOM 81 CD ARG A 6 -15.685 -4.231 -0.935 1.00 10.00 C ATOM 82 NE ARG A 6 -14.473 -4.282 -0.065 1.00 10.00 N ATOM 83 CZ ARG A 6 -14.556 -4.769 1.146 1.00 10.00 C ATOM 84 NH1 ARG A 6 -14.693 -6.057 1.324 1.00 10.00 N ATOM 85 NH2 ARG A 6 -14.500 -3.966 2.177 1.00 10.00 N ATOM 0 H ARG A 6 -16.830 0.207 -0.694 1.00 10.00 H new ATOM 0 HA ARG A 6 -14.496 -1.416 -0.168 1.00 10.00 H new ATOM 0 HB2 ARG A 6 -16.885 -2.033 -0.970 1.00 10.00 H new ATOM 0 HB3 ARG A 6 -16.453 -1.384 -2.539 1.00 10.00 H new ATOM 0 HG2 ARG A 6 -15.723 -3.523 -2.979 1.00 10.00 H new ATOM 0 HG3 ARG A 6 -14.294 -3.040 -2.087 1.00 10.00 H new ATOM 0 HD2 ARG A 6 -16.570 -3.956 -0.361 1.00 10.00 H new ATOM 0 HD3 ARG A 6 -15.887 -5.203 -1.385 1.00 10.00 H new ATOM 0 HE ARG A 6 -13.579 -3.937 -0.415 1.00 10.00 H new ATOM 0 HH11 ARG A 6 -14.735 -6.682 0.519 1.00 10.00 H new ATOM 0 HH12 ARG A 6 -14.758 -6.437 2.268 1.00 10.00 H new ATOM 0 HH21 ARG A 6 -14.392 -2.962 2.036 1.00 10.00 H new ATOM 0 HH22 ARG A 6 -14.565 -4.344 3.122 1.00 10.00 H new ATOM 99 N ASP A 7 -14.322 0.492 -2.834 1.00 10.00 N ATOM 100 CA ASP A 7 -13.344 1.004 -3.847 1.00 10.00 C ATOM 101 C ASP A 7 -12.169 1.715 -3.154 1.00 10.00 C ATOM 102 O ASP A 7 -11.032 1.588 -3.566 1.00 10.00 O ATOM 103 CB ASP A 7 -14.147 1.993 -4.704 1.00 10.00 C ATOM 104 CG ASP A 7 -13.208 2.737 -5.660 1.00 10.00 C ATOM 105 OD1 ASP A 7 -12.783 2.133 -6.631 1.00 10.00 O ATOM 106 OD2 ASP A 7 -12.932 3.897 -5.403 1.00 10.00 O ATOM 0 H ASP A 7 -15.243 0.930 -2.865 1.00 10.00 H new ATOM 0 HA ASP A 7 -12.911 0.201 -4.444 1.00 10.00 H new ATOM 0 HB2 ASP A 7 -14.910 1.460 -5.271 1.00 10.00 H new ATOM 0 HB3 ASP A 7 -14.666 2.705 -4.063 1.00 10.00 H new ATOM 111 N ILE A 8 -12.437 2.466 -2.113 1.00 10.00 N ATOM 112 CA ILE A 8 -11.336 3.191 -1.401 1.00 10.00 C ATOM 113 C ILE A 8 -10.630 2.263 -0.401 1.00 10.00 C ATOM 114 O ILE A 8 -9.415 2.213 -0.348 1.00 10.00 O ATOM 115 CB ILE A 8 -12.028 4.353 -0.671 1.00 10.00 C ATOM 116 CG1 ILE A 8 -12.560 5.359 -1.701 1.00 10.00 C ATOM 117 CG2 ILE A 8 -11.027 5.058 0.251 1.00 10.00 C ATOM 118 CD1 ILE A 8 -13.562 6.300 -1.028 1.00 10.00 C ATOM 0 H ILE A 8 -13.370 2.609 -1.725 1.00 10.00 H new ATOM 0 HA ILE A 8 -10.568 3.542 -2.090 1.00 10.00 H new ATOM 0 HB ILE A 8 -12.854 3.961 -0.077 1.00 10.00 H new ATOM 0 HG12 ILE A 8 -11.735 5.932 -2.124 1.00 10.00 H new ATOM 0 HG13 ILE A 8 -13.038 4.832 -2.526 1.00 10.00 H new ATOM 0 HG21 ILE A 8 -11.523 5.881 0.766 1.00 10.00 H new ATOM 0 HG22 ILE A 8 -10.646 4.348 0.985 1.00 10.00 H new ATOM 0 HG23 ILE A 8 -10.199 5.447 -0.341 1.00 10.00 H new ATOM 0 HD11 ILE A 8 -13.939 7.014 -1.760 1.00 10.00 H new ATOM 0 HD12 ILE A 8 -14.392 5.720 -0.626 1.00 10.00 H new ATOM 0 HD13 ILE A 8 -13.069 6.837 -0.218 1.00 10.00 H new ATOM 130 N TRP A 9 -11.377 1.531 0.393 1.00 10.00 N ATOM 131 CA TRP A 9 -10.744 0.614 1.394 1.00 10.00 C ATOM 132 C TRP A 9 -9.877 -0.438 0.692 1.00 10.00 C ATOM 133 O TRP A 9 -8.798 -0.763 1.152 1.00 10.00 O ATOM 134 CB TRP A 9 -11.909 -0.053 2.132 1.00 10.00 C ATOM 135 CG TRP A 9 -11.386 -0.772 3.336 1.00 10.00 C ATOM 136 CD1 TRP A 9 -11.596 -2.080 3.613 1.00 10.00 C ATOM 137 CD2 TRP A 9 -10.568 -0.250 4.425 1.00 10.00 C ATOM 138 NE1 TRP A 9 -10.961 -2.393 4.800 1.00 10.00 N ATOM 139 CE2 TRP A 9 -10.314 -1.298 5.339 1.00 10.00 C ATOM 140 CE3 TRP A 9 -10.030 1.019 4.704 1.00 10.00 C ATOM 141 CZ2 TRP A 9 -9.551 -1.096 6.489 1.00 10.00 C ATOM 142 CZ3 TRP A 9 -9.263 1.227 5.861 1.00 10.00 C ATOM 143 CH2 TRP A 9 -9.023 0.172 6.752 1.00 10.00 C ATOM 0 H TRP A 9 -12.397 1.529 0.391 1.00 10.00 H new ATOM 0 HA TRP A 9 -10.089 1.154 2.077 1.00 10.00 H new ATOM 0 HB2 TRP A 9 -12.641 0.697 2.432 1.00 10.00 H new ATOM 0 HB3 TRP A 9 -12.421 -0.752 1.471 1.00 10.00 H new ATOM 0 HD1 TRP A 9 -12.167 -2.767 3.006 1.00 10.00 H new ATOM 0 HE1 TRP A 9 -10.969 -3.320 5.226 1.00 10.00 H new ATOM 0 HE3 TRP A 9 -10.208 1.839 4.024 1.00 10.00 H new ATOM 0 HZ2 TRP A 9 -9.369 -1.913 7.172 1.00 10.00 H new ATOM 0 HZ3 TRP A 9 -8.855 2.206 6.066 1.00 10.00 H new ATOM 0 HH2 TRP A 9 -8.431 0.338 7.640 1.00 10.00 H new ATOM 154 N ASP A 10 -10.332 -0.967 -0.419 1.00 10.00 N ATOM 155 CA ASP A 10 -9.522 -1.991 -1.151 1.00 10.00 C ATOM 156 C ASP A 10 -8.181 -1.387 -1.586 1.00 10.00 C ATOM 157 O ASP A 10 -7.139 -1.994 -1.422 1.00 10.00 O ATOM 158 CB ASP A 10 -10.364 -2.377 -2.372 1.00 10.00 C ATOM 159 CG ASP A 10 -9.711 -3.557 -3.092 1.00 10.00 C ATOM 160 OD1 ASP A 10 -9.856 -4.671 -2.616 1.00 10.00 O ATOM 161 OD2 ASP A 10 -9.081 -3.326 -4.110 1.00 10.00 O ATOM 0 H ASP A 10 -11.227 -0.734 -0.849 1.00 10.00 H new ATOM 0 HA ASP A 10 -9.295 -2.858 -0.530 1.00 10.00 H new ATOM 0 HB2 ASP A 10 -11.374 -2.642 -2.061 1.00 10.00 H new ATOM 0 HB3 ASP A 10 -10.451 -1.528 -3.049 1.00 10.00 H new ATOM 166 N TRP A 11 -8.201 -0.191 -2.126 1.00 10.00 N ATOM 167 CA TRP A 11 -6.926 0.460 -2.558 1.00 10.00 C ATOM 168 C TRP A 11 -6.050 0.769 -1.337 1.00 10.00 C ATOM 169 O TRP A 11 -4.842 0.640 -1.389 1.00 10.00 O ATOM 170 CB TRP A 11 -7.345 1.753 -3.263 1.00 10.00 C ATOM 171 CG TRP A 11 -6.142 2.382 -3.891 1.00 10.00 C ATOM 172 CD1 TRP A 11 -5.564 1.974 -5.042 1.00 10.00 C ATOM 173 CD2 TRP A 11 -5.359 3.516 -3.418 1.00 10.00 C ATOM 174 NE1 TRP A 11 -4.476 2.784 -5.308 1.00 10.00 N ATOM 175 CE2 TRP A 11 -4.309 3.752 -4.336 1.00 10.00 C ATOM 176 CE3 TRP A 11 -5.459 4.355 -2.294 1.00 10.00 C ATOM 177 CZ2 TRP A 11 -3.389 4.784 -4.146 1.00 10.00 C ATOM 178 CZ3 TRP A 11 -4.535 5.394 -2.098 1.00 10.00 C ATOM 179 CH2 TRP A 11 -3.503 5.608 -3.023 1.00 10.00 C ATOM 0 H TRP A 11 -9.044 0.360 -2.285 1.00 10.00 H new ATOM 0 HA TRP A 11 -6.341 -0.183 -3.216 1.00 10.00 H new ATOM 0 HB2 TRP A 11 -8.097 1.540 -4.023 1.00 10.00 H new ATOM 0 HB3 TRP A 11 -7.799 2.440 -2.549 1.00 10.00 H new ATOM 0 HD1 TRP A 11 -5.898 1.149 -5.654 1.00 10.00 H new ATOM 0 HE1 TRP A 11 -3.870 2.680 -6.122 1.00 10.00 H new ATOM 0 HE3 TRP A 11 -6.251 4.199 -1.577 1.00 10.00 H new ATOM 0 HZ2 TRP A 11 -2.596 4.945 -4.861 1.00 10.00 H new ATOM 0 HZ3 TRP A 11 -4.620 6.032 -1.230 1.00 10.00 H new ATOM 0 HH2 TRP A 11 -2.796 6.410 -2.868 1.00 10.00 H new ATOM 190 N ILE A 12 -6.649 1.163 -0.236 1.00 10.00 N ATOM 191 CA ILE A 12 -5.844 1.460 0.994 1.00 10.00 C ATOM 192 C ILE A 12 -5.062 0.202 1.405 1.00 10.00 C ATOM 193 O ILE A 12 -3.917 0.277 1.811 1.00 10.00 O ATOM 194 CB ILE A 12 -6.869 1.858 2.067 1.00 10.00 C ATOM 195 CG1 ILE A 12 -7.338 3.296 1.813 1.00 10.00 C ATOM 196 CG2 ILE A 12 -6.230 1.775 3.460 1.00 10.00 C ATOM 197 CD1 ILE A 12 -8.594 3.584 2.641 1.00 10.00 C ATOM 0 H ILE A 12 -7.656 1.291 -0.136 1.00 10.00 H new ATOM 0 HA ILE A 12 -5.114 2.255 0.841 1.00 10.00 H new ATOM 0 HB ILE A 12 -7.718 1.176 2.019 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -6.548 3.998 2.077 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -7.549 3.438 0.753 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -6.964 2.059 4.214 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -5.894 0.755 3.646 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -5.377 2.452 3.510 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -8.924 4.607 2.458 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -9.385 2.891 2.355 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -8.368 3.460 3.700 1.00 10.00 H new ATOM 209 N CYS A 13 -5.670 -0.954 1.273 1.00 10.00 N ATOM 210 CA CYS A 13 -4.966 -2.224 1.624 1.00 10.00 C ATOM 211 C CYS A 13 -3.911 -2.539 0.553 1.00 10.00 C ATOM 212 O CYS A 13 -2.834 -3.020 0.854 1.00 10.00 O ATOM 213 CB CYS A 13 -6.061 -3.295 1.644 1.00 10.00 C ATOM 214 SG CYS A 13 -5.355 -4.875 2.177 1.00 10.00 S ATOM 0 H CYS A 13 -6.626 -1.070 0.936 1.00 10.00 H new ATOM 0 HA CYS A 13 -4.446 -2.168 2.581 1.00 10.00 H new ATOM 0 HB2 CYS A 13 -6.863 -2.997 2.319 1.00 10.00 H new ATOM 0 HB3 CYS A 13 -6.501 -3.398 0.652 1.00 10.00 H new ATOM 0 HG CYS A 13 -6.286 -5.782 2.195 1.00 10.00 H new ATOM 220 N GLU A 14 -4.216 -2.255 -0.695 1.00 10.00 N ATOM 221 CA GLU A 14 -3.238 -2.516 -1.798 1.00 10.00 C ATOM 222 C GLU A 14 -1.977 -1.673 -1.589 1.00 10.00 C ATOM 223 O GLU A 14 -0.867 -2.138 -1.764 1.00 10.00 O ATOM 224 CB GLU A 14 -3.959 -2.089 -3.081 1.00 10.00 C ATOM 225 CG GLU A 14 -3.667 -3.094 -4.198 1.00 10.00 C ATOM 226 CD GLU A 14 -2.285 -2.812 -4.793 1.00 10.00 C ATOM 227 OE1 GLU A 14 -2.125 -1.765 -5.400 1.00 10.00 O ATOM 228 OE2 GLU A 14 -1.409 -3.645 -4.626 1.00 10.00 O ATOM 0 H GLU A 14 -5.104 -1.852 -0.995 1.00 10.00 H new ATOM 0 HA GLU A 14 -2.926 -3.560 -1.835 1.00 10.00 H new ATOM 0 HB2 GLU A 14 -5.033 -2.030 -2.903 1.00 10.00 H new ATOM 0 HB3 GLU A 14 -3.631 -1.094 -3.380 1.00 10.00 H new ATOM 0 HG2 GLU A 14 -3.705 -4.110 -3.806 1.00 10.00 H new ATOM 0 HG3 GLU A 14 -4.430 -3.023 -4.974 1.00 10.00 H new ATOM 235 N VAL A 15 -2.149 -0.439 -1.202 1.00 10.00 N ATOM 236 CA VAL A 15 -0.972 0.451 -0.959 1.00 10.00 C ATOM 237 C VAL A 15 -0.196 -0.040 0.272 1.00 10.00 C ATOM 238 O VAL A 15 1.015 0.042 0.319 1.00 10.00 O ATOM 239 CB VAL A 15 -1.555 1.848 -0.709 1.00 10.00 C ATOM 240 CG1 VAL A 15 -0.428 2.824 -0.359 1.00 10.00 C ATOM 241 CG2 VAL A 15 -2.276 2.339 -1.969 1.00 10.00 C ATOM 0 H VAL A 15 -3.058 -0.004 -1.042 1.00 10.00 H new ATOM 0 HA VAL A 15 -0.278 0.456 -1.800 1.00 10.00 H new ATOM 0 HB VAL A 15 -2.262 1.796 0.119 1.00 10.00 H new ATOM 0 HG11 VAL A 15 -0.847 3.815 -0.182 1.00 10.00 H new ATOM 0 HG12 VAL A 15 0.084 2.481 0.540 1.00 10.00 H new ATOM 0 HG13 VAL A 15 0.281 2.872 -1.185 1.00 10.00 H new ATOM 0 HG21 VAL A 15 -2.689 3.331 -1.788 1.00 10.00 H new ATOM 0 HG22 VAL A 15 -1.570 2.385 -2.798 1.00 10.00 H new ATOM 0 HG23 VAL A 15 -3.083 1.650 -2.218 1.00 10.00 H new ATOM 251 N LEU A 16 -0.890 -0.549 1.266 1.00 10.00 N ATOM 252 CA LEU A 16 -0.200 -1.051 2.497 1.00 10.00 C ATOM 253 C LEU A 16 0.804 -2.153 2.133 1.00 10.00 C ATOM 254 O LEU A 16 1.960 -2.095 2.510 1.00 10.00 O ATOM 255 CB LEU A 16 -1.318 -1.607 3.384 1.00 10.00 C ATOM 256 CG LEU A 16 -0.797 -1.802 4.811 1.00 10.00 C ATOM 257 CD1 LEU A 16 -0.640 -0.441 5.492 1.00 10.00 C ATOM 258 CD2 LEU A 16 -1.791 -2.656 5.602 1.00 10.00 C ATOM 0 H LEU A 16 -1.906 -0.638 1.276 1.00 10.00 H new ATOM 0 HA LEU A 16 0.364 -0.267 3.002 1.00 10.00 H new ATOM 0 HB2 LEU A 16 -2.167 -0.923 3.387 1.00 10.00 H new ATOM 0 HB3 LEU A 16 -1.675 -2.556 2.984 1.00 10.00 H new ATOM 0 HG LEU A 16 0.171 -2.303 4.778 1.00 10.00 H new ATOM 0 HD11 LEU A 16 -0.269 -0.583 6.507 1.00 10.00 H new ATOM 0 HD12 LEU A 16 0.067 0.168 4.929 1.00 10.00 H new ATOM 0 HD13 LEU A 16 -1.606 0.063 5.526 1.00 10.00 H new ATOM 0 HD21 LEU A 16 -1.422 -2.796 6.618 1.00 10.00 H new ATOM 0 HD22 LEU A 16 -2.758 -2.154 5.633 1.00 10.00 H new ATOM 0 HD23 LEU A 16 -1.902 -3.627 5.119 1.00 10.00 H new ATOM 270 N SER A 17 0.375 -3.147 1.390 1.00 10.00 N ATOM 271 CA SER A 17 1.313 -4.241 0.986 1.00 10.00 C ATOM 272 C SER A 17 2.425 -3.661 0.106 1.00 10.00 C ATOM 273 O SER A 17 3.579 -4.030 0.224 1.00 10.00 O ATOM 274 CB SER A 17 0.466 -5.247 0.197 1.00 10.00 C ATOM 275 OG SER A 17 -0.304 -4.561 -0.785 1.00 10.00 O ATOM 0 H SER A 17 -0.581 -3.247 1.048 1.00 10.00 H new ATOM 0 HA SER A 17 1.788 -4.716 1.844 1.00 10.00 H new ATOM 0 HB2 SER A 17 1.111 -5.983 -0.282 1.00 10.00 H new ATOM 0 HB3 SER A 17 -0.192 -5.792 0.873 1.00 10.00 H new ATOM 0 HG SER A 17 -0.843 -5.207 -1.288 1.00 10.00 H new ATOM 281 N ASP A 18 2.082 -2.738 -0.763 1.00 10.00 N ATOM 282 CA ASP A 18 3.114 -2.108 -1.640 1.00 10.00 C ATOM 283 C ASP A 18 4.084 -1.291 -0.779 1.00 10.00 C ATOM 284 O ASP A 18 5.280 -1.354 -0.966 1.00 10.00 O ATOM 285 CB ASP A 18 2.327 -1.207 -2.603 1.00 10.00 C ATOM 286 CG ASP A 18 3.231 -0.088 -3.131 1.00 10.00 C ATOM 287 OD1 ASP A 18 4.089 -0.378 -3.951 1.00 10.00 O ATOM 288 OD2 ASP A 18 3.051 1.041 -2.705 1.00 10.00 O ATOM 0 H ASP A 18 1.131 -2.396 -0.901 1.00 10.00 H new ATOM 0 HA ASP A 18 3.711 -2.838 -2.186 1.00 10.00 H new ATOM 0 HB2 ASP A 18 1.942 -1.798 -3.434 1.00 10.00 H new ATOM 0 HB3 ASP A 18 1.465 -0.779 -2.091 1.00 10.00 H new ATOM 293 N PHE A 19 3.576 -0.541 0.172 1.00 10.00 N ATOM 294 CA PHE A 19 4.471 0.266 1.060 1.00 10.00 C ATOM 295 C PHE A 19 5.530 -0.643 1.694 1.00 10.00 C ATOM 296 O PHE A 19 6.672 -0.262 1.850 1.00 10.00 O ATOM 297 CB PHE A 19 3.554 0.849 2.140 1.00 10.00 C ATOM 298 CG PHE A 19 3.704 2.352 2.175 1.00 10.00 C ATOM 299 CD1 PHE A 19 3.055 3.143 1.219 1.00 10.00 C ATOM 300 CD2 PHE A 19 4.493 2.954 3.162 1.00 10.00 C ATOM 301 CE1 PHE A 19 3.196 4.535 1.250 1.00 10.00 C ATOM 302 CE2 PHE A 19 4.634 4.347 3.194 1.00 10.00 C ATOM 303 CZ PHE A 19 3.985 5.137 2.237 1.00 10.00 C ATOM 0 H PHE A 19 2.579 -0.454 0.371 1.00 10.00 H new ATOM 0 HA PHE A 19 4.997 1.048 0.513 1.00 10.00 H new ATOM 0 HB2 PHE A 19 2.518 0.582 1.934 1.00 10.00 H new ATOM 0 HB3 PHE A 19 3.806 0.426 3.112 1.00 10.00 H new ATOM 0 HD1 PHE A 19 2.446 2.679 0.458 1.00 10.00 H new ATOM 0 HD2 PHE A 19 4.993 2.344 3.899 1.00 10.00 H new ATOM 0 HE1 PHE A 19 2.696 5.145 0.512 1.00 10.00 H new ATOM 0 HE2 PHE A 19 5.243 4.811 3.956 1.00 10.00 H new ATOM 0 HZ PHE A 19 4.093 6.211 2.261 1.00 10.00 H new ATOM 313 N LYS A 20 5.153 -1.850 2.044 1.00 10.00 N ATOM 314 CA LYS A 20 6.130 -2.804 2.653 1.00 10.00 C ATOM 315 C LYS A 20 7.244 -3.138 1.649 1.00 10.00 C ATOM 316 O LYS A 20 8.381 -3.345 2.025 1.00 10.00 O ATOM 317 CB LYS A 20 5.310 -4.053 2.991 1.00 10.00 C ATOM 318 CG LYS A 20 6.199 -5.082 3.699 1.00 10.00 C ATOM 319 CD LYS A 20 6.276 -4.754 5.193 1.00 10.00 C ATOM 320 CE LYS A 20 5.278 -5.626 5.964 1.00 10.00 C ATOM 321 NZ LYS A 20 6.036 -6.148 7.137 1.00 10.00 N ATOM 0 H LYS A 20 4.207 -2.215 1.933 1.00 10.00 H new ATOM 0 HA LYS A 20 6.617 -2.389 3.536 1.00 10.00 H new ATOM 0 HB2 LYS A 20 4.469 -3.785 3.630 1.00 10.00 H new ATOM 0 HB3 LYS A 20 4.894 -4.484 2.080 1.00 10.00 H new ATOM 0 HG2 LYS A 20 5.796 -6.085 3.557 1.00 10.00 H new ATOM 0 HG3 LYS A 20 7.198 -5.075 3.263 1.00 10.00 H new ATOM 0 HD2 LYS A 20 7.287 -4.928 5.562 1.00 10.00 H new ATOM 0 HD3 LYS A 20 6.054 -3.699 5.356 1.00 10.00 H new ATOM 0 HE2 LYS A 20 4.412 -5.045 6.282 1.00 10.00 H new ATOM 0 HE3 LYS A 20 4.905 -6.440 5.343 1.00 10.00 H new ATOM 0 HZ1 LYS A 20 5.415 -6.754 7.710 1.00 10.00 H new ATOM 0 HZ2 LYS A 20 6.850 -6.703 6.805 1.00 10.00 H new ATOM 0 HZ3 LYS A 20 6.373 -5.352 7.715 1.00 10.00 H new ATOM 335 N THR A 21 6.928 -3.188 0.375 1.00 10.00 N ATOM 336 CA THR A 21 7.976 -3.500 -0.648 1.00 10.00 C ATOM 337 C THR A 21 8.594 -2.201 -1.176 1.00 10.00 C ATOM 338 O THR A 21 9.793 -2.107 -1.349 1.00 10.00 O ATOM 339 CB THR A 21 7.252 -4.247 -1.777 1.00 10.00 C ATOM 340 OG1 THR A 21 6.248 -5.098 -1.233 1.00 10.00 O ATOM 341 CG2 THR A 21 8.261 -5.085 -2.566 1.00 10.00 C ATOM 0 H THR A 21 5.993 -3.027 0.002 1.00 10.00 H new ATOM 0 HA THR A 21 8.785 -4.100 -0.230 1.00 10.00 H new ATOM 0 HB THR A 21 6.782 -3.521 -2.441 1.00 10.00 H new ATOM 0 HG1 THR A 21 5.790 -5.569 -1.960 1.00 10.00 H new ATOM 0 HG21 THR A 21 7.746 -5.615 -3.367 1.00 10.00 H new ATOM 0 HG22 THR A 21 9.022 -4.432 -2.993 1.00 10.00 H new ATOM 0 HG23 THR A 21 8.735 -5.806 -1.900 1.00 10.00 H new ATOM 349 N TRP A 22 7.780 -1.200 -1.425 1.00 10.00 N ATOM 350 CA TRP A 22 8.309 0.104 -1.935 1.00 10.00 C ATOM 351 C TRP A 22 9.361 0.650 -0.969 1.00 10.00 C ATOM 352 O TRP A 22 10.443 1.031 -1.371 1.00 10.00 O ATOM 353 CB TRP A 22 7.096 1.040 -1.981 1.00 10.00 C ATOM 354 CG TRP A 22 7.316 2.093 -3.021 1.00 10.00 C ATOM 355 CD1 TRP A 22 6.802 2.070 -4.272 1.00 10.00 C ATOM 356 CD2 TRP A 22 8.099 3.319 -2.921 1.00 10.00 C ATOM 357 NE1 TRP A 22 7.221 3.204 -4.947 1.00 10.00 N ATOM 358 CE2 TRP A 22 8.022 4.005 -4.156 1.00 10.00 C ATOM 359 CE3 TRP A 22 8.860 3.896 -1.889 1.00 10.00 C ATOM 360 CZ2 TRP A 22 8.677 5.220 -4.360 1.00 10.00 C ATOM 361 CZ3 TRP A 22 9.520 5.119 -2.090 1.00 10.00 C ATOM 362 CH2 TRP A 22 9.429 5.780 -3.323 1.00 10.00 C ATOM 0 H TRP A 22 6.769 -1.232 -1.296 1.00 10.00 H new ATOM 0 HA TRP A 22 8.782 0.004 -2.912 1.00 10.00 H new ATOM 0 HB2 TRP A 22 6.194 0.472 -2.209 1.00 10.00 H new ATOM 0 HB3 TRP A 22 6.944 1.503 -1.006 1.00 10.00 H new ATOM 0 HD1 TRP A 22 6.169 1.295 -4.678 1.00 10.00 H new ATOM 0 HE1 TRP A 22 6.969 3.422 -5.911 1.00 10.00 H new ATOM 0 HE3 TRP A 22 8.937 3.395 -0.935 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 8.604 5.724 -5.312 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 10.101 5.553 -1.290 1.00 10.00 H new ATOM 0 HH2 TRP A 22 9.939 6.720 -3.472 1.00 10.00 H new ATOM 373 N LEU A 23 9.050 0.677 0.303 1.00 10.00 N ATOM 374 CA LEU A 23 10.033 1.188 1.311 1.00 10.00 C ATOM 375 C LEU A 23 11.263 0.272 1.354 1.00 10.00 C ATOM 376 O LEU A 23 12.382 0.733 1.464 1.00 10.00 O ATOM 377 CB LEU A 23 9.297 1.163 2.658 1.00 10.00 C ATOM 378 CG LEU A 23 8.633 2.522 2.929 1.00 10.00 C ATOM 379 CD1 LEU A 23 9.703 3.615 3.013 1.00 10.00 C ATOM 380 CD2 LEU A 23 7.651 2.860 1.801 1.00 10.00 C ATOM 0 H LEU A 23 8.158 0.367 0.688 1.00 10.00 H new ATOM 0 HA LEU A 23 10.384 2.191 1.067 1.00 10.00 H new ATOM 0 HB2 LEU A 23 8.542 0.377 2.653 1.00 10.00 H new ATOM 0 HB3 LEU A 23 9.998 0.927 3.459 1.00 10.00 H new ATOM 0 HG LEU A 23 8.093 2.467 3.874 1.00 10.00 H new ATOM 0 HD11 LEU A 23 9.227 4.576 3.205 1.00 10.00 H new ATOM 0 HD12 LEU A 23 10.396 3.385 3.823 1.00 10.00 H new ATOM 0 HD13 LEU A 23 10.249 3.663 2.071 1.00 10.00 H new ATOM 0 HD21 LEU A 23 7.185 3.825 2.001 1.00 10.00 H new ATOM 0 HD22 LEU A 23 8.187 2.906 0.853 1.00 10.00 H new ATOM 0 HD23 LEU A 23 6.882 2.090 1.746 1.00 10.00 H new ATOM 392 N LYS A 24 11.061 -1.023 1.252 1.00 10.00 N ATOM 393 CA LYS A 24 12.218 -1.972 1.273 1.00 10.00 C ATOM 394 C LYS A 24 13.075 -1.778 0.015 1.00 10.00 C ATOM 395 O LYS A 24 14.287 -1.860 0.063 1.00 10.00 O ATOM 396 CB LYS A 24 11.590 -3.370 1.288 1.00 10.00 C ATOM 397 CG LYS A 24 12.498 -4.339 2.056 1.00 10.00 C ATOM 398 CD LYS A 24 11.646 -5.228 2.968 1.00 10.00 C ATOM 399 CE LYS A 24 10.877 -6.253 2.123 1.00 10.00 C ATOM 400 NZ LYS A 24 9.435 -5.951 2.358 1.00 10.00 N ATOM 0 H LYS A 24 10.145 -1.461 1.155 1.00 10.00 H new ATOM 0 HA LYS A 24 12.869 -1.814 2.133 1.00 10.00 H new ATOM 0 HB2 LYS A 24 10.606 -3.332 1.755 1.00 10.00 H new ATOM 0 HB3 LYS A 24 11.445 -3.725 0.268 1.00 10.00 H new ATOM 0 HG2 LYS A 24 13.064 -4.955 1.357 1.00 10.00 H new ATOM 0 HG3 LYS A 24 13.223 -3.781 2.649 1.00 10.00 H new ATOM 0 HD2 LYS A 24 12.282 -5.741 3.689 1.00 10.00 H new ATOM 0 HD3 LYS A 24 10.948 -4.616 3.539 1.00 10.00 H new ATOM 0 HE2 LYS A 24 11.131 -6.163 1.067 1.00 10.00 H new ATOM 0 HE3 LYS A 24 11.120 -7.272 2.423 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 8.851 -6.532 1.723 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 9.192 -6.166 3.346 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 9.256 -4.944 2.169 1.00 10.00 H new ATOM 414 N ALA A 25 12.448 -1.511 -1.107 1.00 10.00 N ATOM 415 CA ALA A 25 13.217 -1.298 -2.374 1.00 10.00 C ATOM 416 C ALA A 25 13.940 0.056 -2.341 1.00 10.00 C ATOM 417 O ALA A 25 15.005 0.207 -2.907 1.00 10.00 O ATOM 418 CB ALA A 25 12.167 -1.319 -3.488 1.00 10.00 C ATOM 0 H ALA A 25 11.435 -1.431 -1.199 1.00 10.00 H new ATOM 0 HA ALA A 25 13.982 -2.060 -2.521 1.00 10.00 H new ATOM 0 HB1 ALA A 25 12.655 -1.169 -4.451 1.00 10.00 H new ATOM 0 HB2 ALA A 25 11.655 -2.281 -3.487 1.00 10.00 H new ATOM 0 HB3 ALA A 25 11.443 -0.522 -3.320 1.00 10.00 H new ATOM 424 N LYS A 26 13.369 1.040 -1.683 1.00 10.00 N ATOM 425 CA LYS A 26 14.025 2.385 -1.611 1.00 10.00 C ATOM 426 C LYS A 26 15.351 2.296 -0.839 1.00 10.00 C ATOM 427 O LYS A 26 16.309 2.972 -1.162 1.00 10.00 O ATOM 428 CB LYS A 26 13.026 3.277 -0.868 1.00 10.00 C ATOM 429 CG LYS A 26 13.337 4.749 -1.156 1.00 10.00 C ATOM 430 CD LYS A 26 13.478 5.513 0.163 1.00 10.00 C ATOM 431 CE LYS A 26 12.134 6.149 0.536 1.00 10.00 C ATOM 432 NZ LYS A 26 12.460 7.164 1.578 1.00 10.00 N ATOM 0 H LYS A 26 12.477 0.968 -1.193 1.00 10.00 H new ATOM 0 HA LYS A 26 14.264 2.778 -2.599 1.00 10.00 H new ATOM 0 HB2 LYS A 26 12.009 3.042 -1.182 1.00 10.00 H new ATOM 0 HB3 LYS A 26 13.080 3.086 0.204 1.00 10.00 H new ATOM 0 HG2 LYS A 26 14.257 4.830 -1.735 1.00 10.00 H new ATOM 0 HG3 LYS A 26 12.542 5.188 -1.759 1.00 10.00 H new ATOM 0 HD2 LYS A 26 13.803 4.837 0.953 1.00 10.00 H new ATOM 0 HD3 LYS A 26 14.243 6.284 0.068 1.00 10.00 H new ATOM 0 HE2 LYS A 26 11.663 6.612 -0.331 1.00 10.00 H new ATOM 0 HE3 LYS A 26 11.437 5.403 0.917 1.00 10.00 H new ATOM 0 HZ1 LYS A 26 11.588 7.641 1.883 1.00 10.00 H new ATOM 0 HZ2 LYS A 26 12.901 6.694 2.394 1.00 10.00 H new ATOM 0 HZ3 LYS A 26 13.119 7.866 1.185 1.00 10.00 H new ATOM 446 N LEU A 27 15.413 1.464 0.175 1.00 10.00 N ATOM 447 CA LEU A 27 16.676 1.326 0.963 1.00 10.00 C ATOM 448 C LEU A 27 17.476 0.107 0.474 1.00 10.00 C ATOM 449 O LEU A 27 17.071 -0.573 -0.451 1.00 10.00 O ATOM 450 CB LEU A 27 16.220 1.125 2.413 1.00 10.00 C ATOM 451 CG LEU A 27 16.769 2.256 3.290 1.00 10.00 C ATOM 452 CD1 LEU A 27 15.835 2.483 4.479 1.00 10.00 C ATOM 453 CD2 LEU A 27 18.162 1.878 3.803 1.00 10.00 C ATOM 0 H LEU A 27 14.642 0.875 0.489 1.00 10.00 H new ATOM 0 HA LEU A 27 17.326 2.195 0.858 1.00 10.00 H new ATOM 0 HB2 LEU A 27 15.131 1.109 2.463 1.00 10.00 H new ATOM 0 HB3 LEU A 27 16.570 0.162 2.784 1.00 10.00 H new ATOM 0 HG LEU A 27 16.834 3.170 2.699 1.00 10.00 H new ATOM 0 HD11 LEU A 27 16.227 3.287 5.101 1.00 10.00 H new ATOM 0 HD12 LEU A 27 14.844 2.755 4.116 1.00 10.00 H new ATOM 0 HD13 LEU A 27 15.767 1.569 5.068 1.00 10.00 H new ATOM 0 HD21 LEU A 27 18.551 2.683 4.426 1.00 10.00 H new ATOM 0 HD22 LEU A 27 18.097 0.963 4.391 1.00 10.00 H new ATOM 0 HD23 LEU A 27 18.831 1.719 2.957 1.00 10.00 H new ATOM 465 N MET A 28 18.606 -0.164 1.096 1.00 10.00 N ATOM 466 CA MET A 28 19.461 -1.335 0.698 1.00 10.00 C ATOM 467 C MET A 28 20.093 -1.111 -0.687 1.00 10.00 C ATOM 468 O MET A 28 19.490 -0.513 -1.558 1.00 10.00 O ATOM 469 CB MET A 28 18.526 -2.553 0.680 1.00 10.00 C ATOM 470 CG MET A 28 19.140 -3.689 1.502 1.00 10.00 C ATOM 471 SD MET A 28 17.832 -4.553 2.408 1.00 10.00 S ATOM 472 CE MET A 28 18.663 -4.616 4.015 1.00 10.00 C ATOM 0 H MET A 28 18.976 0.385 1.872 1.00 10.00 H new ATOM 0 HA MET A 28 20.287 -1.476 1.395 1.00 10.00 H new ATOM 0 HB2 MET A 28 17.552 -2.282 1.088 1.00 10.00 H new ATOM 0 HB3 MET A 28 18.362 -2.882 -0.346 1.00 10.00 H new ATOM 0 HG2 MET A 28 19.664 -4.385 0.846 1.00 10.00 H new ATOM 0 HG3 MET A 28 19.878 -3.291 2.199 1.00 10.00 H new ATOM 0 HE1 MET A 28 18.020 -5.118 4.738 1.00 10.00 H new ATOM 0 HE2 MET A 28 19.600 -5.165 3.919 1.00 10.00 H new ATOM 0 HE3 MET A 28 18.870 -3.602 4.357 1.00 10.00 H new ATOM 482 N PRO A 29 21.302 -1.603 -0.845 1.00 10.00 N ATOM 483 CA PRO A 29 22.023 -1.455 -2.136 1.00 10.00 C ATOM 484 C PRO A 29 21.471 -2.435 -3.182 1.00 10.00 C ATOM 485 O PRO A 29 20.448 -3.062 -2.979 1.00 10.00 O ATOM 486 CB PRO A 29 23.468 -1.799 -1.780 1.00 10.00 C ATOM 487 CG PRO A 29 23.381 -2.674 -0.570 1.00 10.00 C ATOM 488 CD PRO A 29 22.101 -2.331 0.151 1.00 10.00 C ATOM 0 HA PRO A 29 21.918 -0.461 -2.570 1.00 10.00 H new ATOM 0 HB2 PRO A 29 23.963 -2.314 -2.603 1.00 10.00 H new ATOM 0 HB3 PRO A 29 24.047 -0.899 -1.573 1.00 10.00 H new ATOM 0 HG2 PRO A 29 23.389 -3.726 -0.857 1.00 10.00 H new ATOM 0 HG3 PRO A 29 24.241 -2.515 0.080 1.00 10.00 H new ATOM 0 HD2 PRO A 29 21.586 -3.228 0.494 1.00 10.00 H new ATOM 0 HD3 PRO A 29 22.293 -1.717 1.031 1.00 10.00 H new ATOM 496 N GLN A 30 22.147 -2.571 -4.296 1.00 10.00 N ATOM 497 CA GLN A 30 21.670 -3.512 -5.359 1.00 10.00 C ATOM 498 C GLN A 30 21.733 -4.960 -4.854 1.00 10.00 C ATOM 499 O GLN A 30 20.831 -5.743 -5.082 1.00 10.00 O ATOM 500 CB GLN A 30 22.627 -3.312 -6.541 1.00 10.00 C ATOM 501 CG GLN A 30 21.824 -3.172 -7.838 1.00 10.00 C ATOM 502 CD GLN A 30 21.235 -4.530 -8.232 1.00 10.00 C ATOM 503 OE1 GLN A 30 20.040 -4.730 -8.155 1.00 10.00 O ATOM 504 NE2 GLN A 30 22.028 -5.477 -8.656 1.00 10.00 N ATOM 0 H GLN A 30 23.009 -2.072 -4.516 1.00 10.00 H new ATOM 0 HA GLN A 30 20.635 -3.318 -5.641 1.00 10.00 H new ATOM 0 HB2 GLN A 30 23.236 -2.422 -6.381 1.00 10.00 H new ATOM 0 HB3 GLN A 30 23.311 -4.158 -6.615 1.00 10.00 H new ATOM 0 HG2 GLN A 30 21.024 -2.443 -7.705 1.00 10.00 H new ATOM 0 HG3 GLN A 30 22.466 -2.798 -8.636 1.00 10.00 H new ATOM 0 HE21 GLN A 30 23.032 -5.310 -8.721 1.00 10.00 H new ATOM 0 HE22 GLN A 30 21.643 -6.383 -8.922 1.00 10.00 H new ATOM 513 N LEU A 31 22.792 -5.316 -4.167 1.00 10.00 N ATOM 514 CA LEU A 31 22.919 -6.709 -3.640 1.00 10.00 C ATOM 515 C LEU A 31 22.857 -6.702 -2.106 1.00 10.00 C ATOM 516 O LEU A 31 22.067 -7.455 -1.564 1.00 10.00 O ATOM 517 CB LEU A 31 24.288 -7.198 -4.125 1.00 10.00 C ATOM 518 CG LEU A 31 24.322 -8.729 -4.118 1.00 10.00 C ATOM 519 CD1 LEU A 31 23.679 -9.263 -5.400 1.00 10.00 C ATOM 520 CD2 LEU A 31 25.774 -9.208 -4.040 1.00 10.00 C ATOM 521 OXT LEU A 31 23.598 -5.942 -1.502 1.00 10.00 O ATOM 0 H LEU A 31 23.575 -4.700 -3.949 1.00 10.00 H new ATOM 0 HA LEU A 31 22.113 -7.357 -3.986 1.00 10.00 H new ATOM 0 HB2 LEU A 31 24.483 -6.825 -5.131 1.00 10.00 H new ATOM 0 HB3 LEU A 31 25.074 -6.804 -3.481 1.00 10.00 H new ATOM 0 HG LEU A 31 23.769 -9.098 -3.254 1.00 10.00 H new ATOM 0 HD11 LEU A 31 23.704 -10.353 -5.393 1.00 10.00 H new ATOM 0 HD12 LEU A 31 22.645 -8.924 -5.457 1.00 10.00 H new ATOM 0 HD13 LEU A 31 24.230 -8.893 -6.265 1.00 10.00 H new ATOM 0 HD21 LEU A 31 25.798 -10.298 -4.035 1.00 10.00 H new ATOM 0 HD22 LEU A 31 26.326 -8.837 -4.903 1.00 10.00 H new ATOM 0 HD23 LEU A 31 26.233 -8.831 -3.126 1.00 10.00 H new TER 533 LEU A 31