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+ -151:sc= 0.275 (180deg=0.0465) USER MOD Single : A 1 SER OG : rot 180:sc= 0.139 USER MOD Single : A 3 SER OG : rot 170:sc= 0 USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl -107:sc= -0.806 (180deg=-1.51) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -23.765 5.817 -8.415 1.00 10.00 N ATOM 2 CA SER A 1 -22.703 5.275 -7.511 1.00 10.00 C ATOM 3 C SER A 1 -23.138 3.924 -6.926 1.00 10.00 C ATOM 4 O SER A 1 -24.307 3.696 -6.677 1.00 10.00 O ATOM 5 CB SER A 1 -22.545 6.318 -6.400 1.00 10.00 C ATOM 6 OG SER A 1 -23.830 6.739 -5.952 1.00 10.00 O ATOM 0 H1 SER A 1 -23.327 6.408 -9.150 1.00 10.00 H new ATOM 0 H2 SER A 1 -24.275 5.029 -8.863 1.00 10.00 H new ATOM 0 H3 SER A 1 -24.433 6.391 -7.861 1.00 10.00 H new ATOM 0 HA SER A 1 -21.765 5.103 -8.040 1.00 10.00 H new ATOM 0 HB2 SER A 1 -21.980 5.896 -5.569 1.00 10.00 H new ATOM 0 HB3 SER A 1 -21.979 7.174 -6.769 1.00 10.00 H new ATOM 0 HG SER A 1 -23.726 7.405 -5.240 1.00 10.00 H new ATOM 14 N GLY A 2 -22.203 3.031 -6.707 1.00 10.00 N ATOM 15 CA GLY A 2 -22.553 1.694 -6.139 1.00 10.00 C ATOM 16 C GLY A 2 -21.738 1.448 -4.867 1.00 10.00 C ATOM 17 O GLY A 2 -22.084 1.919 -3.800 1.00 10.00 O ATOM 0 H GLY A 2 -21.211 3.172 -6.898 1.00 10.00 H new ATOM 0 HA2 GLY A 2 -23.619 1.651 -5.914 1.00 10.00 H new ATOM 0 HA3 GLY A 2 -22.349 0.912 -6.871 1.00 10.00 H new ATOM 21 N SER A 3 -20.655 0.719 -4.974 1.00 10.00 N ATOM 22 CA SER A 3 -19.809 0.443 -3.772 1.00 10.00 C ATOM 23 C SER A 3 -18.575 1.359 -3.772 1.00 10.00 C ATOM 24 O SER A 3 -17.454 0.914 -3.934 1.00 10.00 O ATOM 25 CB SER A 3 -19.403 -1.031 -3.901 1.00 10.00 C ATOM 26 OG SER A 3 -19.659 -1.699 -2.671 1.00 10.00 O ATOM 0 H SER A 3 -20.320 0.303 -5.843 1.00 10.00 H new ATOM 0 HA SER A 3 -20.337 0.633 -2.838 1.00 10.00 H new ATOM 0 HB2 SER A 3 -19.962 -1.505 -4.708 1.00 10.00 H new ATOM 0 HB3 SER A 3 -18.346 -1.108 -4.157 1.00 10.00 H new ATOM 0 HG SER A 3 -19.555 -2.665 -2.796 1.00 10.00 H new ATOM 32 N TRP A 4 -18.781 2.642 -3.591 1.00 10.00 N ATOM 33 CA TRP A 4 -17.630 3.602 -3.579 1.00 10.00 C ATOM 34 C TRP A 4 -16.715 3.327 -2.378 1.00 10.00 C ATOM 35 O TRP A 4 -15.508 3.256 -2.514 1.00 10.00 O ATOM 36 CB TRP A 4 -18.265 4.992 -3.466 1.00 10.00 C ATOM 37 CG TRP A 4 -17.852 5.832 -4.632 1.00 10.00 C ATOM 38 CD1 TRP A 4 -18.384 5.754 -5.874 1.00 10.00 C ATOM 39 CD2 TRP A 4 -16.834 6.875 -4.688 1.00 10.00 C ATOM 40 NE1 TRP A 4 -17.758 6.681 -6.688 1.00 10.00 N ATOM 41 CE2 TRP A 4 -16.794 7.395 -6.003 1.00 10.00 C ATOM 42 CE3 TRP A 4 -15.949 7.412 -3.735 1.00 10.00 C ATOM 43 CZ2 TRP A 4 -15.909 8.412 -6.361 1.00 10.00 C ATOM 44 CZ3 TRP A 4 -15.057 8.437 -4.092 1.00 10.00 C ATOM 45 CH2 TRP A 4 -15.037 8.936 -5.401 1.00 10.00 C ATOM 0 H TRP A 4 -19.698 3.067 -3.451 1.00 10.00 H new ATOM 0 HA TRP A 4 -17.013 3.510 -4.473 1.00 10.00 H new ATOM 0 HB2 TRP A 4 -19.351 4.905 -3.435 1.00 10.00 H new ATOM 0 HB3 TRP A 4 -17.957 5.468 -2.535 1.00 10.00 H new ATOM 0 HD1 TRP A 4 -19.169 5.078 -6.180 1.00 10.00 H new ATOM 0 HE1 TRP A 4 -17.981 6.820 -7.674 1.00 10.00 H new ATOM 0 HE3 TRP A 4 -15.955 7.034 -2.723 1.00 10.00 H new ATOM 0 HZ2 TRP A 4 -15.897 8.792 -7.372 1.00 10.00 H new ATOM 0 HZ3 TRP A 4 -14.382 8.843 -3.353 1.00 10.00 H new ATOM 0 HH2 TRP A 4 -14.349 9.724 -5.669 1.00 10.00 H new ATOM 56 N LEU A 5 -17.283 3.166 -1.204 1.00 10.00 N ATOM 57 CA LEU A 5 -16.449 2.887 0.009 1.00 10.00 C ATOM 58 C LEU A 5 -15.648 1.592 -0.188 1.00 10.00 C ATOM 59 O LEU A 5 -14.499 1.500 0.202 1.00 10.00 O ATOM 60 CB LEU A 5 -17.445 2.736 1.164 1.00 10.00 C ATOM 61 CG LEU A 5 -17.787 4.116 1.736 1.00 10.00 C ATOM 62 CD1 LEU A 5 -19.192 4.525 1.289 1.00 10.00 C ATOM 63 CD2 LEU A 5 -17.737 4.061 3.265 1.00 10.00 C ATOM 0 H LEU A 5 -18.288 3.216 -1.035 1.00 10.00 H new ATOM 0 HA LEU A 5 -15.729 3.682 0.203 1.00 10.00 H new ATOM 0 HB2 LEU A 5 -18.351 2.243 0.813 1.00 10.00 H new ATOM 0 HB3 LEU A 5 -17.019 2.104 1.943 1.00 10.00 H new ATOM 0 HG LEU A 5 -17.064 4.846 1.372 1.00 10.00 H new ATOM 0 HD11 LEU A 5 -19.432 5.507 1.697 1.00 10.00 H new ATOM 0 HD12 LEU A 5 -19.230 4.565 0.200 1.00 10.00 H new ATOM 0 HD13 LEU A 5 -19.916 3.795 1.650 1.00 10.00 H new ATOM 0 HD21 LEU A 5 -17.980 5.042 3.673 1.00 10.00 H new ATOM 0 HD22 LEU A 5 -18.459 3.329 3.627 1.00 10.00 H new ATOM 0 HD23 LEU A 5 -16.736 3.773 3.586 1.00 10.00 H new ATOM 75 N ARG A 6 -16.244 0.596 -0.802 1.00 10.00 N ATOM 76 CA ARG A 6 -15.514 -0.686 -1.043 1.00 10.00 C ATOM 77 C ARG A 6 -14.390 -0.456 -2.061 1.00 10.00 C ATOM 78 O ARG A 6 -13.298 -0.972 -1.919 1.00 10.00 O ATOM 79 CB ARG A 6 -16.563 -1.650 -1.605 1.00 10.00 C ATOM 80 CG ARG A 6 -16.091 -3.096 -1.414 1.00 10.00 C ATOM 81 CD ARG A 6 -17.252 -3.955 -0.900 1.00 10.00 C ATOM 82 NE ARG A 6 -17.392 -3.597 0.542 1.00 10.00 N ATOM 83 CZ ARG A 6 -16.708 -4.242 1.448 1.00 10.00 C ATOM 84 NH1 ARG A 6 -17.113 -5.415 1.858 1.00 10.00 N ATOM 85 NH2 ARG A 6 -15.618 -3.713 1.943 1.00 10.00 N ATOM 0 H ARG A 6 -17.204 0.618 -1.146 1.00 10.00 H new ATOM 0 HA ARG A 6 -15.055 -1.080 -0.136 1.00 10.00 H new ATOM 0 HB2 ARG A 6 -17.517 -1.499 -1.100 1.00 10.00 H new ATOM 0 HB3 ARG A 6 -16.727 -1.448 -2.663 1.00 10.00 H new ATOM 0 HG2 ARG A 6 -15.721 -3.495 -2.358 1.00 10.00 H new ATOM 0 HG3 ARG A 6 -15.262 -3.128 -0.707 1.00 10.00 H new ATOM 0 HD2 ARG A 6 -18.170 -3.746 -1.449 1.00 10.00 H new ATOM 0 HD3 ARG A 6 -17.041 -5.017 -1.024 1.00 10.00 H new ATOM 0 HE ARG A 6 -18.024 -2.846 0.821 1.00 10.00 H new ATOM 0 HH11 ARG A 6 -17.962 -5.825 1.470 1.00 10.00 H new ATOM 0 HH12 ARG A 6 -16.580 -5.920 2.566 1.00 10.00 H new ATOM 0 HH21 ARG A 6 -15.304 -2.798 1.621 1.00 10.00 H new ATOM 0 HH22 ARG A 6 -15.083 -4.216 2.651 1.00 10.00 H new ATOM 99 N ASP A 7 -14.655 0.329 -3.080 1.00 10.00 N ATOM 100 CA ASP A 7 -13.614 0.621 -4.114 1.00 10.00 C ATOM 101 C ASP A 7 -12.359 1.209 -3.455 1.00 10.00 C ATOM 102 O ASP A 7 -11.245 0.878 -3.816 1.00 10.00 O ATOM 103 CB ASP A 7 -14.264 1.652 -5.044 1.00 10.00 C ATOM 104 CG ASP A 7 -13.428 1.804 -6.315 1.00 10.00 C ATOM 105 OD1 ASP A 7 -12.531 2.630 -6.314 1.00 10.00 O ATOM 106 OD2 ASP A 7 -13.699 1.091 -7.266 1.00 10.00 O ATOM 0 H ASP A 7 -15.555 0.782 -3.239 1.00 10.00 H new ATOM 0 HA ASP A 7 -13.300 -0.275 -4.649 1.00 10.00 H new ATOM 0 HB2 ASP A 7 -15.276 1.338 -5.299 1.00 10.00 H new ATOM 0 HB3 ASP A 7 -14.347 2.613 -4.535 1.00 10.00 H new ATOM 111 N ILE A 8 -12.534 2.071 -2.484 1.00 10.00 N ATOM 112 CA ILE A 8 -11.356 2.679 -1.791 1.00 10.00 C ATOM 113 C ILE A 8 -10.770 1.692 -0.769 1.00 10.00 C ATOM 114 O ILE A 8 -9.578 1.679 -0.530 1.00 10.00 O ATOM 115 CB ILE A 8 -11.903 3.929 -1.088 1.00 10.00 C ATOM 116 CG1 ILE A 8 -12.476 4.897 -2.132 1.00 10.00 C ATOM 117 CG2 ILE A 8 -10.776 4.626 -0.320 1.00 10.00 C ATOM 118 CD1 ILE A 8 -13.673 5.639 -1.537 1.00 10.00 C ATOM 0 H ILE A 8 -13.443 2.380 -2.141 1.00 10.00 H new ATOM 0 HA ILE A 8 -10.553 2.926 -2.486 1.00 10.00 H new ATOM 0 HB ILE A 8 -12.688 3.633 -0.392 1.00 10.00 H new ATOM 0 HG12 ILE A 8 -11.711 5.609 -2.442 1.00 10.00 H new ATOM 0 HG13 ILE A 8 -12.781 4.349 -3.023 1.00 10.00 H new ATOM 0 HG21 ILE A 8 -11.169 5.513 0.177 1.00 10.00 H new ATOM 0 HG22 ILE A 8 -10.367 3.943 0.425 1.00 10.00 H new ATOM 0 HG23 ILE A 8 -9.989 4.919 -1.015 1.00 10.00 H new ATOM 0 HD11 ILE A 8 -14.080 6.327 -2.278 1.00 10.00 H new ATOM 0 HD12 ILE A 8 -14.440 4.920 -1.249 1.00 10.00 H new ATOM 0 HD13 ILE A 8 -13.353 6.200 -0.659 1.00 10.00 H new ATOM 130 N TRP A 9 -11.600 0.867 -0.169 1.00 10.00 N ATOM 131 CA TRP A 9 -11.098 -0.124 0.840 1.00 10.00 C ATOM 132 C TRP A 9 -9.947 -0.958 0.255 1.00 10.00 C ATOM 133 O TRP A 9 -8.885 -1.056 0.841 1.00 10.00 O ATOM 134 CB TRP A 9 -12.306 -1.014 1.164 1.00 10.00 C ATOM 135 CG TRP A 9 -11.869 -2.178 1.997 1.00 10.00 C ATOM 136 CD1 TRP A 9 -11.743 -3.448 1.549 1.00 10.00 C ATOM 137 CD2 TRP A 9 -11.492 -2.201 3.405 1.00 10.00 C ATOM 138 NE1 TRP A 9 -11.316 -4.250 2.593 1.00 10.00 N ATOM 139 CE2 TRP A 9 -11.148 -3.527 3.757 1.00 10.00 C ATOM 140 CE3 TRP A 9 -11.418 -1.210 4.401 1.00 10.00 C ATOM 141 CZ2 TRP A 9 -10.744 -3.860 5.050 1.00 10.00 C ATOM 142 CZ3 TRP A 9 -11.013 -1.541 5.704 1.00 10.00 C ATOM 143 CH2 TRP A 9 -10.677 -2.863 6.028 1.00 10.00 C ATOM 0 H TRP A 9 -12.606 0.838 -0.336 1.00 10.00 H new ATOM 0 HA TRP A 9 -10.704 0.365 1.731 1.00 10.00 H new ATOM 0 HB2 TRP A 9 -13.062 -0.437 1.697 1.00 10.00 H new ATOM 0 HB3 TRP A 9 -12.767 -1.368 0.242 1.00 10.00 H new ATOM 0 HD1 TRP A 9 -11.943 -3.782 0.541 1.00 10.00 H new ATOM 0 HE1 TRP A 9 -11.146 -5.253 2.512 1.00 10.00 H new ATOM 0 HE3 TRP A 9 -11.674 -0.188 4.162 1.00 10.00 H new ATOM 0 HZ2 TRP A 9 -10.485 -4.880 5.294 1.00 10.00 H new ATOM 0 HZ3 TRP A 9 -10.960 -0.773 6.461 1.00 10.00 H new ATOM 0 HH2 TRP A 9 -10.367 -3.111 7.032 1.00 10.00 H new ATOM 154 N ASP A 10 -10.151 -1.554 -0.896 1.00 10.00 N ATOM 155 CA ASP A 10 -9.065 -2.376 -1.520 1.00 10.00 C ATOM 156 C ASP A 10 -7.830 -1.503 -1.777 1.00 10.00 C ATOM 157 O ASP A 10 -6.709 -1.925 -1.561 1.00 10.00 O ATOM 158 CB ASP A 10 -9.651 -2.891 -2.839 1.00 10.00 C ATOM 159 CG ASP A 10 -8.679 -3.888 -3.478 1.00 10.00 C ATOM 160 OD1 ASP A 10 -8.698 -5.042 -3.083 1.00 10.00 O ATOM 161 OD2 ASP A 10 -7.934 -3.480 -4.354 1.00 10.00 O ATOM 0 H ASP A 10 -11.019 -1.507 -1.429 1.00 10.00 H new ATOM 0 HA ASP A 10 -8.747 -3.197 -0.877 1.00 10.00 H new ATOM 0 HB2 ASP A 10 -10.613 -3.370 -2.659 1.00 10.00 H new ATOM 0 HB3 ASP A 10 -9.832 -2.058 -3.518 1.00 10.00 H new ATOM 166 N TRP A 11 -8.030 -0.285 -2.227 1.00 10.00 N ATOM 167 CA TRP A 11 -6.870 0.624 -2.486 1.00 10.00 C ATOM 168 C TRP A 11 -6.122 0.911 -1.176 1.00 10.00 C ATOM 169 O TRP A 11 -4.906 0.958 -1.147 1.00 10.00 O ATOM 170 CB TRP A 11 -7.484 1.908 -3.054 1.00 10.00 C ATOM 171 CG TRP A 11 -6.406 2.916 -3.297 1.00 10.00 C ATOM 172 CD1 TRP A 11 -5.649 2.989 -4.415 1.00 10.00 C ATOM 173 CD2 TRP A 11 -5.950 3.988 -2.421 1.00 10.00 C ATOM 174 NE1 TRP A 11 -4.759 4.039 -4.283 1.00 10.00 N ATOM 175 CE2 TRP A 11 -4.906 4.686 -3.072 1.00 10.00 C ATOM 176 CE3 TRP A 11 -6.339 4.418 -1.141 1.00 10.00 C ATOM 177 CZ2 TRP A 11 -4.270 5.773 -2.472 1.00 10.00 C ATOM 178 CZ3 TRP A 11 -5.701 5.513 -0.534 1.00 10.00 C ATOM 179 CH2 TRP A 11 -4.668 6.188 -1.199 1.00 10.00 C ATOM 0 H TRP A 11 -8.946 0.117 -2.425 1.00 10.00 H new ATOM 0 HA TRP A 11 -6.147 0.186 -3.174 1.00 10.00 H new ATOM 0 HB2 TRP A 11 -8.009 1.691 -3.984 1.00 10.00 H new ATOM 0 HB3 TRP A 11 -8.221 2.309 -2.358 1.00 10.00 H new ATOM 0 HD1 TRP A 11 -5.727 2.335 -5.271 1.00 10.00 H new ATOM 0 HE1 TRP A 11 -4.077 4.303 -4.994 1.00 10.00 H new ATOM 0 HE3 TRP A 11 -7.133 3.904 -0.621 1.00 10.00 H new ATOM 0 HZ2 TRP A 11 -3.475 6.290 -2.988 1.00 10.00 H new ATOM 0 HZ3 TRP A 11 -6.008 5.836 0.450 1.00 10.00 H new ATOM 0 HH2 TRP A 11 -4.180 7.028 -0.727 1.00 10.00 H new ATOM 190 N ILE A 12 -6.840 1.088 -0.091 1.00 10.00 N ATOM 191 CA ILE A 12 -6.169 1.351 1.222 1.00 10.00 C ATOM 192 C ILE A 12 -5.274 0.156 1.579 1.00 10.00 C ATOM 193 O ILE A 12 -4.176 0.318 2.079 1.00 10.00 O ATOM 194 CB ILE A 12 -7.310 1.511 2.238 1.00 10.00 C ATOM 195 CG1 ILE A 12 -8.035 2.839 1.988 1.00 10.00 C ATOM 196 CG2 ILE A 12 -6.747 1.507 3.664 1.00 10.00 C ATOM 197 CD1 ILE A 12 -9.464 2.754 2.529 1.00 10.00 C ATOM 0 H ILE A 12 -7.859 1.062 -0.058 1.00 10.00 H new ATOM 0 HA ILE A 12 -5.535 2.238 1.204 1.00 10.00 H new ATOM 0 HB ILE A 12 -8.007 0.681 2.122 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -7.499 3.654 2.474 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -8.052 3.060 0.921 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -7.563 1.621 4.378 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -6.232 0.564 3.849 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -6.045 2.333 3.780 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -9.977 3.699 2.350 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -9.998 1.950 2.023 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -9.436 2.553 3.600 1.00 10.00 H new ATOM 209 N CYS A 13 -5.734 -1.041 1.299 1.00 10.00 N ATOM 210 CA CYS A 13 -4.913 -2.256 1.590 1.00 10.00 C ATOM 211 C CYS A 13 -3.698 -2.298 0.652 1.00 10.00 C ATOM 212 O CYS A 13 -2.634 -2.755 1.024 1.00 10.00 O ATOM 213 CB CYS A 13 -5.845 -3.441 1.321 1.00 10.00 C ATOM 214 SG CYS A 13 -5.190 -4.921 2.133 1.00 10.00 S ATOM 0 H CYS A 13 -6.645 -1.227 0.880 1.00 10.00 H new ATOM 0 HA CYS A 13 -4.532 -2.268 2.611 1.00 10.00 H new ATOM 0 HB2 CYS A 13 -6.846 -3.222 1.693 1.00 10.00 H new ATOM 0 HB3 CYS A 13 -5.934 -3.611 0.248 1.00 10.00 H new ATOM 0 HG CYS A 13 -5.982 -5.927 1.907 1.00 10.00 H new ATOM 220 N GLU A 14 -3.851 -1.810 -0.559 1.00 10.00 N ATOM 221 CA GLU A 14 -2.712 -1.804 -1.526 1.00 10.00 C ATOM 222 C GLU A 14 -1.628 -0.831 -1.051 1.00 10.00 C ATOM 223 O GLU A 14 -0.455 -1.142 -1.062 1.00 10.00 O ATOM 224 CB GLU A 14 -3.321 -1.325 -2.844 1.00 10.00 C ATOM 225 CG GLU A 14 -3.866 -2.520 -3.628 1.00 10.00 C ATOM 226 CD GLU A 14 -4.343 -2.050 -5.003 1.00 10.00 C ATOM 227 OE1 GLU A 14 -5.439 -1.517 -5.079 1.00 10.00 O ATOM 228 OE2 GLU A 14 -3.605 -2.227 -5.957 1.00 10.00 O ATOM 0 H GLU A 14 -4.721 -1.415 -0.917 1.00 10.00 H new ATOM 0 HA GLU A 14 -2.242 -2.783 -1.625 1.00 10.00 H new ATOM 0 HB2 GLU A 14 -4.122 -0.612 -2.647 1.00 10.00 H new ATOM 0 HB3 GLU A 14 -2.568 -0.804 -3.435 1.00 10.00 H new ATOM 0 HG2 GLU A 14 -3.092 -3.280 -3.739 1.00 10.00 H new ATOM 0 HG3 GLU A 14 -4.690 -2.981 -3.083 1.00 10.00 H new ATOM 235 N VAL A 15 -2.028 0.340 -0.628 1.00 10.00 N ATOM 236 CA VAL A 15 -1.040 1.353 -0.135 1.00 10.00 C ATOM 237 C VAL A 15 -0.261 0.786 1.063 1.00 10.00 C ATOM 238 O VAL A 15 0.926 1.012 1.203 1.00 10.00 O ATOM 239 CB VAL A 15 -1.883 2.567 0.286 1.00 10.00 C ATOM 240 CG1 VAL A 15 -0.978 3.646 0.889 1.00 10.00 C ATOM 241 CG2 VAL A 15 -2.603 3.144 -0.939 1.00 10.00 C ATOM 0 H VAL A 15 -3.002 0.642 -0.602 1.00 10.00 H new ATOM 0 HA VAL A 15 -0.305 1.620 -0.894 1.00 10.00 H new ATOM 0 HB VAL A 15 -2.615 2.249 1.028 1.00 10.00 H new ATOM 0 HG11 VAL A 15 -1.582 4.504 1.185 1.00 10.00 H new ATOM 0 HG12 VAL A 15 -0.465 3.244 1.763 1.00 10.00 H new ATOM 0 HG13 VAL A 15 -0.242 3.959 0.149 1.00 10.00 H new ATOM 0 HG21 VAL A 15 -3.200 4.005 -0.638 1.00 10.00 H new ATOM 0 HG22 VAL A 15 -1.867 3.454 -1.681 1.00 10.00 H new ATOM 0 HG23 VAL A 15 -3.254 2.384 -1.370 1.00 10.00 H new ATOM 251 N LEU A 16 -0.923 0.043 1.917 1.00 10.00 N ATOM 252 CA LEU A 16 -0.228 -0.556 3.100 1.00 10.00 C ATOM 253 C LEU A 16 0.652 -1.730 2.646 1.00 10.00 C ATOM 254 O LEU A 16 1.774 -1.886 3.092 1.00 10.00 O ATOM 255 CB LEU A 16 -1.365 -1.038 4.019 1.00 10.00 C ATOM 256 CG LEU A 16 -0.853 -1.279 5.450 1.00 10.00 C ATOM 257 CD1 LEU A 16 -0.128 -2.624 5.523 1.00 10.00 C ATOM 258 CD2 LEU A 16 0.105 -0.158 5.868 1.00 10.00 C ATOM 0 H LEU A 16 -1.917 -0.175 1.846 1.00 10.00 H new ATOM 0 HA LEU A 16 0.428 0.150 3.609 1.00 10.00 H new ATOM 0 HB2 LEU A 16 -2.164 -0.296 4.035 1.00 10.00 H new ATOM 0 HB3 LEU A 16 -1.793 -1.959 3.622 1.00 10.00 H new ATOM 0 HG LEU A 16 -1.706 -1.289 6.128 1.00 10.00 H new ATOM 0 HD11 LEU A 16 0.232 -2.789 6.539 1.00 10.00 H new ATOM 0 HD12 LEU A 16 -0.816 -3.424 5.248 1.00 10.00 H new ATOM 0 HD13 LEU A 16 0.717 -2.620 4.835 1.00 10.00 H new ATOM 0 HD21 LEU A 16 0.459 -0.342 6.882 1.00 10.00 H new ATOM 0 HD22 LEU A 16 0.955 -0.132 5.186 1.00 10.00 H new ATOM 0 HD23 LEU A 16 -0.417 0.798 5.833 1.00 10.00 H new ATOM 270 N SER A 17 0.150 -2.549 1.752 1.00 10.00 N ATOM 271 CA SER A 17 0.948 -3.713 1.252 1.00 10.00 C ATOM 272 C SER A 17 2.119 -3.225 0.389 1.00 10.00 C ATOM 273 O SER A 17 3.216 -3.748 0.465 1.00 10.00 O ATOM 274 CB SER A 17 -0.033 -4.533 0.410 1.00 10.00 C ATOM 275 OG SER A 17 0.574 -5.764 0.036 1.00 10.00 O ATOM 0 H SER A 17 -0.782 -2.460 1.346 1.00 10.00 H new ATOM 0 HA SER A 17 1.377 -4.298 2.065 1.00 10.00 H new ATOM 0 HB2 SER A 17 -0.945 -4.723 0.977 1.00 10.00 H new ATOM 0 HB3 SER A 17 -0.321 -3.973 -0.479 1.00 10.00 H new ATOM 0 HG SER A 17 -0.055 -6.289 -0.502 1.00 10.00 H new ATOM 281 N ASP A 18 1.894 -2.226 -0.430 1.00 10.00 N ATOM 282 CA ASP A 18 2.988 -1.701 -1.303 1.00 10.00 C ATOM 283 C ASP A 18 4.043 -0.968 -0.468 1.00 10.00 C ATOM 284 O ASP A 18 5.221 -1.084 -0.728 1.00 10.00 O ATOM 285 CB ASP A 18 2.303 -0.735 -2.273 1.00 10.00 C ATOM 286 CG ASP A 18 3.315 -0.243 -3.309 1.00 10.00 C ATOM 287 OD1 ASP A 18 3.996 0.731 -3.030 1.00 10.00 O ATOM 288 OD2 ASP A 18 3.393 -0.849 -4.366 1.00 10.00 O ATOM 0 H ASP A 18 0.997 -1.751 -0.531 1.00 10.00 H new ATOM 0 HA ASP A 18 3.507 -2.503 -1.827 1.00 10.00 H new ATOM 0 HB2 ASP A 18 1.471 -1.233 -2.771 1.00 10.00 H new ATOM 0 HB3 ASP A 18 1.887 0.111 -1.726 1.00 10.00 H new ATOM 293 N PHE A 19 3.637 -0.218 0.529 1.00 10.00 N ATOM 294 CA PHE A 19 4.633 0.514 1.375 1.00 10.00 C ATOM 295 C PHE A 19 5.690 -0.458 1.916 1.00 10.00 C ATOM 296 O PHE A 19 6.858 -0.126 2.013 1.00 10.00 O ATOM 297 CB PHE A 19 3.822 1.117 2.526 1.00 10.00 C ATOM 298 CG PHE A 19 3.938 2.623 2.496 1.00 10.00 C ATOM 299 CD1 PHE A 19 3.311 3.353 1.479 1.00 10.00 C ATOM 300 CD2 PHE A 19 4.675 3.288 3.484 1.00 10.00 C ATOM 301 CE1 PHE A 19 3.419 4.749 1.452 1.00 10.00 C ATOM 302 CE2 PHE A 19 4.783 4.684 3.456 1.00 10.00 C ATOM 303 CZ PHE A 19 4.154 5.414 2.440 1.00 10.00 C ATOM 0 H PHE A 19 2.661 -0.081 0.793 1.00 10.00 H new ATOM 0 HA PHE A 19 5.164 1.279 0.809 1.00 10.00 H new ATOM 0 HB2 PHE A 19 2.776 0.821 2.441 1.00 10.00 H new ATOM 0 HB3 PHE A 19 4.185 0.734 3.480 1.00 10.00 H new ATOM 0 HD1 PHE A 19 2.745 2.840 0.716 1.00 10.00 H new ATOM 0 HD2 PHE A 19 5.160 2.724 4.267 1.00 10.00 H new ATOM 0 HE1 PHE A 19 2.935 5.313 0.668 1.00 10.00 H new ATOM 0 HE2 PHE A 19 5.351 5.197 4.218 1.00 10.00 H new ATOM 0 HZ PHE A 19 4.236 6.491 2.419 1.00 10.00 H new ATOM 313 N LYS A 20 5.286 -1.659 2.262 1.00 10.00 N ATOM 314 CA LYS A 20 6.260 -2.665 2.792 1.00 10.00 C ATOM 315 C LYS A 20 7.286 -3.046 1.714 1.00 10.00 C ATOM 316 O LYS A 20 8.460 -3.198 1.997 1.00 10.00 O ATOM 317 CB LYS A 20 5.413 -3.882 3.183 1.00 10.00 C ATOM 318 CG LYS A 20 5.852 -4.398 4.556 1.00 10.00 C ATOM 319 CD LYS A 20 4.729 -5.236 5.176 1.00 10.00 C ATOM 320 CE LYS A 20 5.009 -6.724 4.945 1.00 10.00 C ATOM 321 NZ LYS A 20 3.972 -7.446 5.738 1.00 10.00 N ATOM 0 H LYS A 20 4.322 -1.985 2.200 1.00 10.00 H new ATOM 0 HA LYS A 20 6.825 -2.274 3.638 1.00 10.00 H new ATOM 0 HB2 LYS A 20 4.358 -3.610 3.207 1.00 10.00 H new ATOM 0 HB3 LYS A 20 5.523 -4.668 2.436 1.00 10.00 H new ATOM 0 HG2 LYS A 20 6.756 -5.000 4.457 1.00 10.00 H new ATOM 0 HG3 LYS A 20 6.097 -3.560 5.209 1.00 10.00 H new ATOM 0 HD2 LYS A 20 4.656 -5.031 6.244 1.00 10.00 H new ATOM 0 HD3 LYS A 20 3.771 -4.963 4.733 1.00 10.00 H new ATOM 0 HE2 LYS A 20 4.942 -6.977 3.887 1.00 10.00 H new ATOM 0 HE3 LYS A 20 6.013 -6.991 5.274 1.00 10.00 H new ATOM 0 HZ1 LYS A 20 4.102 -8.472 5.627 1.00 10.00 H new ATOM 0 HZ2 LYS A 20 4.064 -7.192 6.742 1.00 10.00 H new ATOM 0 HZ3 LYS A 20 3.026 -7.178 5.398 1.00 10.00 H new ATOM 335 N THR A 21 6.860 -3.195 0.480 1.00 10.00 N ATOM 336 CA THR A 21 7.828 -3.557 -0.603 1.00 10.00 C ATOM 337 C THR A 21 8.459 -2.290 -1.203 1.00 10.00 C ATOM 338 O THR A 21 9.573 -2.323 -1.689 1.00 10.00 O ATOM 339 CB THR A 21 7.016 -4.342 -1.649 1.00 10.00 C ATOM 340 OG1 THR A 21 7.909 -4.976 -2.556 1.00 10.00 O ATOM 341 CG2 THR A 21 6.082 -3.406 -2.424 1.00 10.00 C ATOM 0 H THR A 21 5.892 -3.082 0.179 1.00 10.00 H new ATOM 0 HA THR A 21 8.655 -4.159 -0.228 1.00 10.00 H new ATOM 0 HB THR A 21 6.411 -5.089 -1.135 1.00 10.00 H new ATOM 0 HG1 THR A 21 7.396 -5.478 -3.223 1.00 10.00 H new ATOM 0 HG21 THR A 21 5.518 -3.981 -3.158 1.00 10.00 H new ATOM 0 HG22 THR A 21 5.392 -2.925 -1.731 1.00 10.00 H new ATOM 0 HG23 THR A 21 6.672 -2.645 -2.935 1.00 10.00 H new ATOM 349 N TRP A 22 7.770 -1.170 -1.154 1.00 10.00 N ATOM 350 CA TRP A 22 8.348 0.099 -1.702 1.00 10.00 C ATOM 351 C TRP A 22 9.639 0.431 -0.951 1.00 10.00 C ATOM 352 O TRP A 22 10.676 0.658 -1.544 1.00 10.00 O ATOM 353 CB TRP A 22 7.292 1.176 -1.437 1.00 10.00 C ATOM 354 CG TRP A 22 7.614 2.404 -2.229 1.00 10.00 C ATOM 355 CD1 TRP A 22 7.046 2.741 -3.411 1.00 10.00 C ATOM 356 CD2 TRP A 22 8.568 3.463 -1.919 1.00 10.00 C ATOM 357 NE1 TRP A 22 7.592 3.936 -3.844 1.00 10.00 N ATOM 358 CE2 TRP A 22 8.534 4.421 -2.960 1.00 10.00 C ATOM 359 CE3 TRP A 22 9.450 3.682 -0.845 1.00 10.00 C ATOM 360 CZ2 TRP A 22 9.346 5.555 -2.936 1.00 10.00 C ATOM 361 CZ3 TRP A 22 10.270 4.822 -0.819 1.00 10.00 C ATOM 362 CH2 TRP A 22 10.217 5.756 -1.863 1.00 10.00 C ATOM 0 H TRP A 22 6.834 -1.082 -0.758 1.00 10.00 H new ATOM 0 HA TRP A 22 8.587 0.024 -2.763 1.00 10.00 H new ATOM 0 HB2 TRP A 22 6.304 0.805 -1.709 1.00 10.00 H new ATOM 0 HB3 TRP A 22 7.261 1.415 -0.374 1.00 10.00 H new ATOM 0 HD1 TRP A 22 6.290 2.170 -3.931 1.00 10.00 H new ATOM 0 HE1 TRP A 22 7.330 4.403 -4.712 1.00 10.00 H new ATOM 0 HE3 TRP A 22 9.497 2.969 -0.035 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 9.301 6.273 -3.742 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 10.945 4.980 0.009 1.00 10.00 H new ATOM 0 HH2 TRP A 22 10.850 6.631 -1.838 1.00 10.00 H new ATOM 373 N LEU A 23 9.571 0.447 0.358 1.00 10.00 N ATOM 374 CA LEU A 23 10.787 0.748 1.178 1.00 10.00 C ATOM 375 C LEU A 23 11.867 -0.316 0.931 1.00 10.00 C ATOM 376 O LEU A 23 13.042 -0.010 0.850 1.00 10.00 O ATOM 377 CB LEU A 23 10.310 0.709 2.636 1.00 10.00 C ATOM 378 CG LEU A 23 10.471 2.096 3.267 1.00 10.00 C ATOM 379 CD1 LEU A 23 9.487 3.077 2.621 1.00 10.00 C ATOM 380 CD2 LEU A 23 10.187 2.008 4.769 1.00 10.00 C ATOM 0 H LEU A 23 8.724 0.264 0.896 1.00 10.00 H new ATOM 0 HA LEU A 23 11.228 1.712 0.925 1.00 10.00 H new ATOM 0 HB2 LEU A 23 9.266 0.398 2.680 1.00 10.00 H new ATOM 0 HB3 LEU A 23 10.886 -0.026 3.198 1.00 10.00 H new ATOM 0 HG LEU A 23 11.490 2.448 3.106 1.00 10.00 H new ATOM 0 HD11 LEU A 23 9.605 4.062 3.073 1.00 10.00 H new ATOM 0 HD12 LEU A 23 9.687 3.142 1.552 1.00 10.00 H new ATOM 0 HD13 LEU A 23 8.467 2.726 2.778 1.00 10.00 H new ATOM 0 HD21 LEU A 23 10.301 2.994 5.219 1.00 10.00 H new ATOM 0 HD22 LEU A 23 9.169 1.653 4.927 1.00 10.00 H new ATOM 0 HD23 LEU A 23 10.889 1.314 5.232 1.00 10.00 H new ATOM 392 N LYS A 24 11.470 -1.563 0.797 1.00 10.00 N ATOM 393 CA LYS A 24 12.467 -2.651 0.540 1.00 10.00 C ATOM 394 C LYS A 24 13.142 -2.431 -0.819 1.00 10.00 C ATOM 395 O LYS A 24 14.334 -2.611 -0.962 1.00 10.00 O ATOM 396 CB LYS A 24 11.660 -3.952 0.531 1.00 10.00 C ATOM 397 CG LYS A 24 11.646 -4.560 1.935 1.00 10.00 C ATOM 398 CD LYS A 24 11.494 -6.081 1.834 1.00 10.00 C ATOM 399 CE LYS A 24 12.106 -6.745 3.073 1.00 10.00 C ATOM 400 NZ LYS A 24 10.989 -6.843 4.058 1.00 10.00 N ATOM 0 H LYS A 24 10.500 -1.872 0.855 1.00 10.00 H new ATOM 0 HA LYS A 24 13.254 -2.672 1.294 1.00 10.00 H new ATOM 0 HB2 LYS A 24 10.640 -3.756 0.199 1.00 10.00 H new ATOM 0 HB3 LYS A 24 12.096 -4.657 -0.177 1.00 10.00 H new ATOM 0 HG2 LYS A 24 12.568 -4.310 2.460 1.00 10.00 H new ATOM 0 HG3 LYS A 24 10.825 -4.140 2.516 1.00 10.00 H new ATOM 0 HD2 LYS A 24 10.440 -6.346 1.751 1.00 10.00 H new ATOM 0 HD3 LYS A 24 11.987 -6.446 0.933 1.00 10.00 H new ATOM 0 HE2 LYS A 24 12.507 -7.730 2.834 1.00 10.00 H new ATOM 0 HE3 LYS A 24 12.930 -6.153 3.470 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 11.335 -7.288 4.932 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 10.631 -5.890 4.273 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 10.222 -7.419 3.656 1.00 10.00 H new ATOM 414 N ALA A 25 12.384 -2.033 -1.812 1.00 10.00 N ATOM 415 CA ALA A 25 12.978 -1.787 -3.164 1.00 10.00 C ATOM 416 C ALA A 25 13.990 -0.634 -3.097 1.00 10.00 C ATOM 417 O ALA A 25 14.972 -0.622 -3.814 1.00 10.00 O ATOM 418 CB ALA A 25 11.795 -1.414 -4.060 1.00 10.00 C ATOM 0 H ALA A 25 11.380 -1.868 -1.745 1.00 10.00 H new ATOM 0 HA ALA A 25 13.514 -2.658 -3.543 1.00 10.00 H new ATOM 0 HB1 ALA A 25 12.152 -1.218 -5.071 1.00 10.00 H new ATOM 0 HB2 ALA A 25 11.080 -2.237 -4.080 1.00 10.00 H new ATOM 0 HB3 ALA A 25 11.309 -0.521 -3.668 1.00 10.00 H new ATOM 424 N LYS A 26 13.759 0.331 -2.236 1.00 10.00 N ATOM 425 CA LYS A 26 14.711 1.478 -2.115 1.00 10.00 C ATOM 426 C LYS A 26 15.996 1.027 -1.403 1.00 10.00 C ATOM 427 O LYS A 26 17.083 1.443 -1.757 1.00 10.00 O ATOM 428 CB LYS A 26 13.973 2.532 -1.281 1.00 10.00 C ATOM 429 CG LYS A 26 14.289 3.931 -1.821 1.00 10.00 C ATOM 430 CD LYS A 26 15.057 4.731 -0.764 1.00 10.00 C ATOM 431 CE LYS A 26 15.173 6.194 -1.209 1.00 10.00 C ATOM 432 NZ LYS A 26 16.524 6.312 -1.831 1.00 10.00 N ATOM 0 H LYS A 26 12.952 0.372 -1.613 1.00 10.00 H new ATOM 0 HA LYS A 26 15.007 1.870 -3.088 1.00 10.00 H new ATOM 0 HB2 LYS A 26 12.899 2.352 -1.317 1.00 10.00 H new ATOM 0 HB3 LYS A 26 14.273 2.459 -0.236 1.00 10.00 H new ATOM 0 HG2 LYS A 26 14.880 3.854 -2.733 1.00 10.00 H new ATOM 0 HG3 LYS A 26 13.365 4.448 -2.082 1.00 10.00 H new ATOM 0 HD2 LYS A 26 14.543 4.672 0.195 1.00 10.00 H new ATOM 0 HD3 LYS A 26 16.050 4.304 -0.621 1.00 10.00 H new ATOM 0 HE2 LYS A 26 14.389 6.452 -1.921 1.00 10.00 H new ATOM 0 HE3 LYS A 26 15.070 6.872 -0.362 1.00 10.00 H new ATOM 0 HZ1 LYS A 26 16.671 7.288 -2.158 1.00 10.00 H new ATOM 0 HZ2 LYS A 26 17.252 6.069 -1.129 1.00 10.00 H new ATOM 0 HZ3 LYS A 26 16.592 5.662 -2.640 1.00 10.00 H new ATOM 446 N LEU A 27 15.879 0.180 -0.407 1.00 10.00 N ATOM 447 CA LEU A 27 17.094 -0.298 0.323 1.00 10.00 C ATOM 448 C LEU A 27 16.935 -1.770 0.736 1.00 10.00 C ATOM 449 O LEU A 27 15.938 -2.161 1.316 1.00 10.00 O ATOM 450 CB LEU A 27 17.215 0.613 1.554 1.00 10.00 C ATOM 451 CG LEU A 27 15.975 0.477 2.447 1.00 10.00 C ATOM 452 CD1 LEU A 27 16.383 -0.095 3.806 1.00 10.00 C ATOM 453 CD2 LEU A 27 15.336 1.853 2.646 1.00 10.00 C ATOM 0 H LEU A 27 14.995 -0.200 -0.069 1.00 10.00 H new ATOM 0 HA LEU A 27 17.988 -0.250 -0.299 1.00 10.00 H new ATOM 0 HB2 LEU A 27 18.109 0.352 2.121 1.00 10.00 H new ATOM 0 HB3 LEU A 27 17.330 1.649 1.237 1.00 10.00 H new ATOM 0 HG LEU A 27 15.258 -0.192 1.971 1.00 10.00 H new ATOM 0 HD11 LEU A 27 15.501 -0.191 4.440 1.00 10.00 H new ATOM 0 HD12 LEU A 27 16.838 -1.075 3.666 1.00 10.00 H new ATOM 0 HD13 LEU A 27 17.100 0.574 4.282 1.00 10.00 H new ATOM 0 HD21 LEU A 27 14.455 1.757 3.280 1.00 10.00 H new ATOM 0 HD22 LEU A 27 16.054 2.522 3.121 1.00 10.00 H new ATOM 0 HD23 LEU A 27 15.044 2.262 1.679 1.00 10.00 H new ATOM 465 N MET A 28 17.914 -2.586 0.435 1.00 10.00 N ATOM 466 CA MET A 28 17.835 -4.034 0.803 1.00 10.00 C ATOM 467 C MET A 28 19.217 -4.539 1.253 1.00 10.00 C ATOM 468 O MET A 28 19.951 -5.118 0.473 1.00 10.00 O ATOM 469 CB MET A 28 17.380 -4.745 -0.479 1.00 10.00 C ATOM 470 CG MET A 28 15.983 -5.335 -0.268 1.00 10.00 C ATOM 471 SD MET A 28 15.522 -6.328 -1.712 1.00 10.00 S ATOM 472 CE MET A 28 15.246 -4.956 -2.861 1.00 10.00 C ATOM 0 H MET A 28 18.767 -2.311 -0.051 1.00 10.00 H new ATOM 0 HA MET A 28 17.149 -4.219 1.630 1.00 10.00 H new ATOM 0 HB2 MET A 28 17.367 -4.042 -1.312 1.00 10.00 H new ATOM 0 HB3 MET A 28 18.085 -5.535 -0.739 1.00 10.00 H new ATOM 0 HG2 MET A 28 15.969 -5.952 0.630 1.00 10.00 H new ATOM 0 HG3 MET A 28 15.258 -4.535 -0.117 1.00 10.00 H new ATOM 0 HE1 MET A 28 14.177 -4.836 -3.035 1.00 10.00 H new ATOM 0 HE2 MET A 28 15.649 -4.038 -2.435 1.00 10.00 H new ATOM 0 HE3 MET A 28 15.746 -5.167 -3.806 1.00 10.00 H new ATOM 482 N PRO A 29 19.528 -4.293 2.505 1.00 10.00 N ATOM 483 CA PRO A 29 20.836 -4.726 3.066 1.00 10.00 C ATOM 484 C PRO A 29 20.864 -6.243 3.297 1.00 10.00 C ATOM 485 O PRO A 29 19.925 -6.950 2.979 1.00 10.00 O ATOM 486 CB PRO A 29 20.923 -3.975 4.393 1.00 10.00 C ATOM 487 CG PRO A 29 19.504 -3.693 4.779 1.00 10.00 C ATOM 488 CD PRO A 29 18.704 -3.598 3.504 1.00 10.00 C ATOM 0 HA PRO A 29 21.671 -4.512 2.399 1.00 10.00 H new ATOM 0 HB2 PRO A 29 21.426 -4.574 5.152 1.00 10.00 H new ATOM 0 HB3 PRO A 29 21.493 -3.052 4.286 1.00 10.00 H new ATOM 0 HG2 PRO A 29 19.115 -4.485 5.419 1.00 10.00 H new ATOM 0 HG3 PRO A 29 19.437 -2.764 5.345 1.00 10.00 H new ATOM 0 HD2 PRO A 29 17.727 -4.070 3.611 1.00 10.00 H new ATOM 0 HD3 PRO A 29 18.528 -2.560 3.222 1.00 10.00 H new ATOM 496 N GLN A 30 21.938 -6.742 3.856 1.00 10.00 N ATOM 497 CA GLN A 30 22.039 -8.212 4.117 1.00 10.00 C ATOM 498 C GLN A 30 21.486 -8.545 5.509 1.00 10.00 C ATOM 499 O GLN A 30 21.095 -7.667 6.258 1.00 10.00 O ATOM 500 CB GLN A 30 23.535 -8.536 4.040 1.00 10.00 C ATOM 501 CG GLN A 30 23.773 -9.601 2.966 1.00 10.00 C ATOM 502 CD GLN A 30 25.271 -9.901 2.864 1.00 10.00 C ATOM 503 OE1 GLN A 30 26.010 -9.155 2.254 1.00 10.00 O ATOM 504 NE2 GLN A 30 25.753 -10.969 3.440 1.00 10.00 N ATOM 0 H GLN A 30 22.750 -6.195 4.143 1.00 10.00 H new ATOM 0 HA GLN A 30 21.462 -8.795 3.399 1.00 10.00 H new ATOM 0 HB2 GLN A 30 24.101 -7.635 3.805 1.00 10.00 H new ATOM 0 HB3 GLN A 30 23.891 -8.893 5.006 1.00 10.00 H new ATOM 0 HG2 GLN A 30 23.226 -10.510 3.214 1.00 10.00 H new ATOM 0 HG3 GLN A 30 23.395 -9.253 2.005 1.00 10.00 H new ATOM 0 HE21 GLN A 30 25.133 -11.596 3.953 1.00 10.00 H new ATOM 0 HE22 GLN A 30 26.750 -11.176 3.377 1.00 10.00 H new ATOM 513 N LEU A 31 21.450 -9.807 5.856 1.00 10.00 N ATOM 514 CA LEU A 31 20.921 -10.208 7.196 1.00 10.00 C ATOM 515 C LEU A 31 21.643 -11.465 7.702 1.00 10.00 C ATOM 516 O LEU A 31 21.869 -12.362 6.903 1.00 10.00 O ATOM 517 CB LEU A 31 19.435 -10.494 6.968 1.00 10.00 C ATOM 518 CG LEU A 31 18.612 -9.872 8.099 1.00 10.00 C ATOM 519 CD1 LEU A 31 17.373 -9.189 7.515 1.00 10.00 C ATOM 520 CD2 LEU A 31 18.175 -10.967 9.076 1.00 10.00 C ATOM 521 OXT LEU A 31 21.957 -11.508 8.879 1.00 10.00 O ATOM 0 H LEU A 31 21.765 -10.579 5.268 1.00 10.00 H new ATOM 0 HA LEU A 31 21.075 -9.434 7.947 1.00 10.00 H new ATOM 0 HB2 LEU A 31 19.119 -10.086 6.008 1.00 10.00 H new ATOM 0 HB3 LEU A 31 19.263 -11.570 6.929 1.00 10.00 H new ATOM 0 HG LEU A 31 19.220 -9.136 8.625 1.00 10.00 H new ATOM 0 HD11 LEU A 31 16.788 -8.746 8.321 1.00 10.00 H new ATOM 0 HD12 LEU A 31 17.682 -8.408 6.820 1.00 10.00 H new ATOM 0 HD13 LEU A 31 16.766 -9.925 6.988 1.00 10.00 H new ATOM 0 HD21 LEU A 31 17.589 -10.524 9.881 1.00 10.00 H new ATOM 0 HD22 LEU A 31 17.569 -11.704 8.549 1.00 10.00 H new ATOM 0 HD23 LEU A 31 19.056 -11.454 9.494 1.00 10.00 H new TER 533 LEU A 31