USER MOD reduce.3.24.130724 H: found=0, std=0, add=266, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 266 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 SER N :NH3+ -147:sc= 0.202 (180deg=0.0385) USER MOD Single : A 1 SER OG : rot 48:sc= 0.371 USER MOD Single : A 3 SER OG : rot -56:sc= 0.0135 USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0.029 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 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -0.159 X(o=-0.16,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -22.183 10.317 0.194 1.00 10.00 N ATOM 2 CA SER A 1 -22.318 10.771 -1.224 1.00 10.00 C ATOM 3 C SER A 1 -21.360 9.985 -2.129 1.00 10.00 C ATOM 4 O SER A 1 -20.158 10.003 -1.937 1.00 10.00 O ATOM 5 CB SER A 1 -21.946 12.258 -1.210 1.00 10.00 C ATOM 6 OG SER A 1 -20.726 12.438 -0.499 1.00 10.00 O ATOM 0 H1 SER A 1 -23.105 10.386 0.670 1.00 10.00 H new ATOM 0 H2 SER A 1 -21.856 9.330 0.213 1.00 10.00 H new ATOM 0 H3 SER A 1 -21.493 10.919 0.687 1.00 10.00 H new ATOM 0 HA SER A 1 -23.324 10.609 -1.611 1.00 10.00 H new ATOM 0 HB2 SER A 1 -21.842 12.627 -2.230 1.00 10.00 H new ATOM 0 HB3 SER A 1 -22.741 12.838 -0.741 1.00 10.00 H new ATOM 0 HG SER A 1 -20.067 11.783 -0.810 1.00 10.00 H new ATOM 14 N GLY A 2 -21.884 9.295 -3.113 1.00 10.00 N ATOM 15 CA GLY A 2 -21.008 8.507 -4.031 1.00 10.00 C ATOM 16 C GLY A 2 -20.712 7.135 -3.416 1.00 10.00 C ATOM 17 O GLY A 2 -20.506 7.011 -2.223 1.00 10.00 O ATOM 0 H GLY A 2 -22.882 9.244 -3.319 1.00 10.00 H new ATOM 0 HA2 GLY A 2 -21.496 8.385 -4.998 1.00 10.00 H new ATOM 0 HA3 GLY A 2 -20.077 9.044 -4.210 1.00 10.00 H new ATOM 21 N SER A 3 -20.686 6.103 -4.225 1.00 10.00 N ATOM 22 CA SER A 3 -20.402 4.734 -3.694 1.00 10.00 C ATOM 23 C SER A 3 -18.957 4.325 -4.017 1.00 10.00 C ATOM 24 O SER A 3 -18.703 3.242 -4.513 1.00 10.00 O ATOM 25 CB SER A 3 -21.400 3.818 -4.406 1.00 10.00 C ATOM 26 OG SER A 3 -21.488 2.585 -3.705 1.00 10.00 O ATOM 0 H SER A 3 -20.849 6.151 -5.231 1.00 10.00 H new ATOM 0 HA SER A 3 -20.506 4.681 -2.610 1.00 10.00 H new ATOM 0 HB2 SER A 3 -22.379 4.294 -4.452 1.00 10.00 H new ATOM 0 HB3 SER A 3 -21.082 3.643 -5.434 1.00 10.00 H new ATOM 0 HG SER A 3 -20.595 2.188 -3.627 1.00 10.00 H new ATOM 32 N TRP A 4 -18.007 5.183 -3.738 1.00 10.00 N ATOM 33 CA TRP A 4 -16.578 4.848 -4.027 1.00 10.00 C ATOM 34 C TRP A 4 -15.777 4.677 -2.724 1.00 10.00 C ATOM 35 O TRP A 4 -14.596 4.394 -2.755 1.00 10.00 O ATOM 36 CB TRP A 4 -16.050 6.037 -4.834 1.00 10.00 C ATOM 37 CG TRP A 4 -15.206 5.541 -5.967 1.00 10.00 C ATOM 38 CD1 TRP A 4 -15.647 4.770 -6.988 1.00 10.00 C ATOM 39 CD2 TRP A 4 -13.788 5.771 -6.210 1.00 10.00 C ATOM 40 NE1 TRP A 4 -14.589 4.510 -7.841 1.00 10.00 N ATOM 41 CE2 TRP A 4 -13.423 5.106 -7.405 1.00 10.00 C ATOM 42 CE3 TRP A 4 -12.794 6.483 -5.517 1.00 10.00 C ATOM 43 CZ2 TRP A 4 -12.117 5.147 -7.894 1.00 10.00 C ATOM 44 CZ3 TRP A 4 -11.479 6.527 -6.007 1.00 10.00 C ATOM 45 CH2 TRP A 4 -11.141 5.860 -7.192 1.00 10.00 C ATOM 0 H TRP A 4 -18.159 6.102 -3.322 1.00 10.00 H new ATOM 0 HA TRP A 4 -16.483 3.907 -4.569 1.00 10.00 H new ATOM 0 HB2 TRP A 4 -16.882 6.627 -5.218 1.00 10.00 H new ATOM 0 HB3 TRP A 4 -15.464 6.694 -4.191 1.00 10.00 H new ATOM 0 HD1 TRP A 4 -16.659 4.416 -7.116 1.00 10.00 H new ATOM 0 HE1 TRP A 4 -14.662 3.947 -8.688 1.00 10.00 H new ATOM 0 HE3 TRP A 4 -13.043 7.000 -4.602 1.00 10.00 H new ATOM 0 HZ2 TRP A 4 -11.862 4.632 -8.808 1.00 10.00 H new ATOM 0 HZ3 TRP A 4 -10.723 7.078 -5.467 1.00 10.00 H new ATOM 0 HH2 TRP A 4 -10.127 5.897 -7.563 1.00 10.00 H new ATOM 56 N LEU A 5 -16.407 4.843 -1.581 1.00 10.00 N ATOM 57 CA LEU A 5 -15.673 4.684 -0.284 1.00 10.00 C ATOM 58 C LEU A 5 -15.151 3.249 -0.151 1.00 10.00 C ATOM 59 O LEU A 5 -13.985 3.030 0.120 1.00 10.00 O ATOM 60 CB LEU A 5 -16.706 4.992 0.809 1.00 10.00 C ATOM 61 CG LEU A 5 -16.538 6.436 1.299 1.00 10.00 C ATOM 62 CD1 LEU A 5 -15.145 6.618 1.910 1.00 10.00 C ATOM 63 CD2 LEU A 5 -16.708 7.405 0.124 1.00 10.00 C ATOM 0 H LEU A 5 -17.395 5.081 -1.492 1.00 10.00 H new ATOM 0 HA LEU A 5 -14.809 5.345 -0.214 1.00 10.00 H new ATOM 0 HB2 LEU A 5 -17.714 4.846 0.420 1.00 10.00 H new ATOM 0 HB3 LEU A 5 -16.583 4.300 1.642 1.00 10.00 H new ATOM 0 HG LEU A 5 -17.295 6.645 2.055 1.00 10.00 H new ATOM 0 HD11 LEU A 5 -15.031 7.645 2.256 1.00 10.00 H new ATOM 0 HD12 LEU A 5 -15.025 5.936 2.752 1.00 10.00 H new ATOM 0 HD13 LEU A 5 -14.387 6.403 1.157 1.00 10.00 H new ATOM 0 HD21 LEU A 5 -16.588 8.429 0.477 1.00 10.00 H new ATOM 0 HD22 LEU A 5 -15.955 7.192 -0.635 1.00 10.00 H new ATOM 0 HD23 LEU A 5 -17.702 7.284 -0.307 1.00 10.00 H new ATOM 75 N ARG A 6 -16.002 2.272 -0.361 1.00 10.00 N ATOM 76 CA ARG A 6 -15.552 0.848 -0.269 1.00 10.00 C ATOM 77 C ARG A 6 -14.467 0.583 -1.321 1.00 10.00 C ATOM 78 O ARG A 6 -13.520 -0.140 -1.076 1.00 10.00 O ATOM 79 CB ARG A 6 -16.802 0.008 -0.554 1.00 10.00 C ATOM 80 CG ARG A 6 -16.597 -1.417 -0.031 1.00 10.00 C ATOM 81 CD ARG A 6 -16.244 -2.350 -1.195 1.00 10.00 C ATOM 82 NE ARG A 6 -17.133 -3.536 -1.024 1.00 10.00 N ATOM 83 CZ ARG A 6 -18.113 -3.747 -1.863 1.00 10.00 C ATOM 84 NH1 ARG A 6 -19.197 -3.019 -1.798 1.00 10.00 N ATOM 85 NH2 ARG A 6 -18.007 -4.689 -2.765 1.00 10.00 N ATOM 0 H ARG A 6 -16.987 2.400 -0.592 1.00 10.00 H new ATOM 0 HA ARG A 6 -15.125 0.607 0.705 1.00 10.00 H new ATOM 0 HB2 ARG A 6 -17.672 0.459 -0.077 1.00 10.00 H new ATOM 0 HB3 ARG A 6 -17.001 -0.013 -1.625 1.00 10.00 H new ATOM 0 HG2 ARG A 6 -15.800 -1.430 0.713 1.00 10.00 H new ATOM 0 HG3 ARG A 6 -17.502 -1.766 0.466 1.00 10.00 H new ATOM 0 HD2 ARG A 6 -16.415 -1.864 -2.156 1.00 10.00 H new ATOM 0 HD3 ARG A 6 -15.193 -2.637 -1.166 1.00 10.00 H new ATOM 0 HE ARG A 6 -16.976 -4.183 -0.251 1.00 10.00 H new ATOM 0 HH11 ARG A 6 -19.278 -2.287 -1.093 1.00 10.00 H new ATOM 0 HH12 ARG A 6 -19.962 -3.183 -2.453 1.00 10.00 H new ATOM 0 HH21 ARG A 6 -17.161 -5.257 -2.812 1.00 10.00 H new ATOM 0 HH22 ARG A 6 -18.770 -4.855 -3.421 1.00 10.00 H new ATOM 99 N ASP A 7 -14.595 1.183 -2.482 1.00 10.00 N ATOM 100 CA ASP A 7 -13.568 0.993 -3.553 1.00 10.00 C ATOM 101 C ASP A 7 -12.192 1.438 -3.038 1.00 10.00 C ATOM 102 O ASP A 7 -11.190 0.794 -3.288 1.00 10.00 O ATOM 103 CB ASP A 7 -14.026 1.887 -4.712 1.00 10.00 C ATOM 104 CG ASP A 7 -13.080 1.712 -5.902 1.00 10.00 C ATOM 105 OD1 ASP A 7 -13.230 0.736 -6.616 1.00 10.00 O ATOM 106 OD2 ASP A 7 -12.219 2.559 -6.077 1.00 10.00 O ATOM 0 H ASP A 7 -15.369 1.798 -2.733 1.00 10.00 H new ATOM 0 HA ASP A 7 -13.475 -0.048 -3.861 1.00 10.00 H new ATOM 0 HB2 ASP A 7 -15.044 1.629 -5.003 1.00 10.00 H new ATOM 0 HB3 ASP A 7 -14.040 2.930 -4.396 1.00 10.00 H new ATOM 111 N ILE A 8 -12.144 2.529 -2.310 1.00 10.00 N ATOM 112 CA ILE A 8 -10.837 3.014 -1.762 1.00 10.00 C ATOM 113 C ILE A 8 -10.371 2.101 -0.617 1.00 10.00 C ATOM 114 O ILE A 8 -9.187 1.900 -0.425 1.00 10.00 O ATOM 115 CB ILE A 8 -11.112 4.430 -1.238 1.00 10.00 C ATOM 116 CG1 ILE A 8 -11.530 5.340 -2.399 1.00 10.00 C ATOM 117 CG2 ILE A 8 -9.844 4.993 -0.587 1.00 10.00 C ATOM 118 CD1 ILE A 8 -12.476 6.426 -1.880 1.00 10.00 C ATOM 0 H ILE A 8 -12.952 3.104 -2.072 1.00 10.00 H new ATOM 0 HA ILE A 8 -10.052 3.009 -2.518 1.00 10.00 H new ATOM 0 HB ILE A 8 -11.914 4.388 -0.501 1.00 10.00 H new ATOM 0 HG12 ILE A 8 -10.650 5.796 -2.853 1.00 10.00 H new ATOM 0 HG13 ILE A 8 -12.022 4.754 -3.175 1.00 10.00 H new ATOM 0 HG21 ILE A 8 -10.041 5.999 -0.216 1.00 10.00 H new ATOM 0 HG22 ILE A 8 -9.545 4.352 0.242 1.00 10.00 H new ATOM 0 HG23 ILE A 8 -9.042 5.030 -1.324 1.00 10.00 H new ATOM 0 HD11 ILE A 8 -12.774 7.074 -2.705 1.00 10.00 H new ATOM 0 HD12 ILE A 8 -13.361 5.961 -1.446 1.00 10.00 H new ATOM 0 HD13 ILE A 8 -11.968 7.018 -1.119 1.00 10.00 H new ATOM 130 N TRP A 9 -11.292 1.548 0.142 1.00 10.00 N ATOM 131 CA TRP A 9 -10.901 0.648 1.274 1.00 10.00 C ATOM 132 C TRP A 9 -10.010 -0.493 0.763 1.00 10.00 C ATOM 133 O TRP A 9 -8.921 -0.706 1.263 1.00 10.00 O ATOM 134 CB TRP A 9 -12.220 0.103 1.834 1.00 10.00 C ATOM 135 CG TRP A 9 -11.996 -0.427 3.217 1.00 10.00 C ATOM 136 CD1 TRP A 9 -12.391 -1.644 3.654 1.00 10.00 C ATOM 137 CD2 TRP A 9 -11.334 0.219 4.345 1.00 10.00 C ATOM 138 NE1 TRP A 9 -12.013 -1.788 4.978 1.00 10.00 N ATOM 139 CE2 TRP A 9 -11.359 -0.666 5.448 1.00 10.00 C ATOM 140 CE3 TRP A 9 -10.721 1.473 4.516 1.00 10.00 C ATOM 141 CZ2 TRP A 9 -10.796 -0.321 6.677 1.00 10.00 C ATOM 142 CZ3 TRP A 9 -10.153 1.825 5.751 1.00 10.00 C ATOM 143 CH2 TRP A 9 -10.190 0.930 6.828 1.00 10.00 C ATOM 0 H TRP A 9 -12.296 1.682 0.025 1.00 10.00 H new ATOM 0 HA TRP A 9 -10.329 1.174 2.038 1.00 10.00 H new ATOM 0 HB2 TRP A 9 -12.972 0.891 1.853 1.00 10.00 H new ATOM 0 HB3 TRP A 9 -12.602 -0.687 1.188 1.00 10.00 H new ATOM 0 HD1 TRP A 9 -12.916 -2.383 3.066 1.00 10.00 H new ATOM 0 HE1 TRP A 9 -12.195 -2.621 5.538 1.00 10.00 H new ATOM 0 HE3 TRP A 9 -10.687 2.170 3.692 1.00 10.00 H new ATOM 0 HZ2 TRP A 9 -10.828 -1.014 7.505 1.00 10.00 H new ATOM 0 HZ3 TRP A 9 -9.685 2.791 5.871 1.00 10.00 H new ATOM 0 HH2 TRP A 9 -9.750 1.206 7.775 1.00 10.00 H new ATOM 154 N ASP A 10 -10.455 -1.214 -0.239 1.00 10.00 N ATOM 155 CA ASP A 10 -9.617 -2.324 -0.790 1.00 10.00 C ATOM 156 C ASP A 10 -8.345 -1.742 -1.421 1.00 10.00 C ATOM 157 O ASP A 10 -7.276 -2.313 -1.316 1.00 10.00 O ATOM 158 CB ASP A 10 -10.482 -3.010 -1.852 1.00 10.00 C ATOM 159 CG ASP A 10 -9.883 -4.378 -2.192 1.00 10.00 C ATOM 160 OD1 ASP A 10 -10.206 -5.333 -1.503 1.00 10.00 O ATOM 161 OD2 ASP A 10 -9.112 -4.449 -3.136 1.00 10.00 O ATOM 0 H ASP A 10 -11.357 -1.082 -0.696 1.00 10.00 H new ATOM 0 HA ASP A 10 -9.307 -3.029 -0.019 1.00 10.00 H new ATOM 0 HB2 ASP A 10 -11.502 -3.128 -1.485 1.00 10.00 H new ATOM 0 HB3 ASP A 10 -10.535 -2.392 -2.748 1.00 10.00 H new ATOM 166 N TRP A 11 -8.455 -0.600 -2.060 1.00 10.00 N ATOM 167 CA TRP A 11 -7.255 0.041 -2.686 1.00 10.00 C ATOM 168 C TRP A 11 -6.192 0.320 -1.612 1.00 10.00 C ATOM 169 O TRP A 11 -5.012 0.126 -1.834 1.00 10.00 O ATOM 170 CB TRP A 11 -7.776 1.348 -3.296 1.00 10.00 C ATOM 171 CG TRP A 11 -6.667 2.065 -4.000 1.00 10.00 C ATOM 172 CD1 TRP A 11 -6.371 1.939 -5.314 1.00 10.00 C ATOM 173 CD2 TRP A 11 -5.708 3.017 -3.453 1.00 10.00 C ATOM 174 NE1 TRP A 11 -5.292 2.752 -5.608 1.00 10.00 N ATOM 175 CE2 TRP A 11 -4.847 3.436 -4.494 1.00 10.00 C ATOM 176 CE3 TRP A 11 -5.503 3.550 -2.168 1.00 10.00 C ATOM 177 CZ2 TRP A 11 -3.819 4.353 -4.269 1.00 10.00 C ATOM 178 CZ3 TRP A 11 -4.470 4.472 -1.938 1.00 10.00 C ATOM 179 CH2 TRP A 11 -3.629 4.873 -2.986 1.00 10.00 C ATOM 0 H TRP A 11 -9.327 -0.084 -2.175 1.00 10.00 H new ATOM 0 HA TRP A 11 -6.785 -0.593 -3.438 1.00 10.00 H new ATOM 0 HB2 TRP A 11 -8.584 1.135 -3.996 1.00 10.00 H new ATOM 0 HB3 TRP A 11 -8.191 1.983 -2.514 1.00 10.00 H new ATOM 0 HD1 TRP A 11 -6.892 1.307 -6.018 1.00 10.00 H new ATOM 0 HE1 TRP A 11 -4.875 2.836 -6.535 1.00 10.00 H new ATOM 0 HE3 TRP A 11 -6.144 3.248 -1.353 1.00 10.00 H new ATOM 0 HZ2 TRP A 11 -3.175 4.658 -5.081 1.00 10.00 H new ATOM 0 HZ3 TRP A 11 -4.322 4.875 -0.947 1.00 10.00 H new ATOM 0 HH2 TRP A 11 -2.836 5.582 -2.802 1.00 10.00 H new ATOM 190 N ILE A 12 -6.607 0.758 -0.447 1.00 10.00 N ATOM 191 CA ILE A 12 -5.625 1.028 0.650 1.00 10.00 C ATOM 192 C ILE A 12 -4.899 -0.276 1.013 1.00 10.00 C ATOM 193 O ILE A 12 -3.712 -0.280 1.276 1.00 10.00 O ATOM 194 CB ILE A 12 -6.463 1.539 1.832 1.00 10.00 C ATOM 195 CG1 ILE A 12 -6.947 2.962 1.537 1.00 10.00 C ATOM 196 CG2 ILE A 12 -5.613 1.551 3.108 1.00 10.00 C ATOM 197 CD1 ILE A 12 -8.199 3.257 2.364 1.00 10.00 C ATOM 0 H ILE A 12 -7.582 0.940 -0.209 1.00 10.00 H new ATOM 0 HA ILE A 12 -4.864 1.755 0.365 1.00 10.00 H new ATOM 0 HB ILE A 12 -7.319 0.879 1.974 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -6.163 3.681 1.775 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -7.166 3.070 0.475 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -6.214 1.914 3.942 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -5.266 0.540 3.324 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -4.754 2.207 2.967 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -8.543 4.270 2.154 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -8.983 2.546 2.104 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -7.964 3.166 3.425 1.00 10.00 H new ATOM 209 N CYS A 13 -5.607 -1.381 1.006 1.00 10.00 N ATOM 210 CA CYS A 13 -4.967 -2.694 1.325 1.00 10.00 C ATOM 211 C CYS A 13 -3.973 -3.070 0.218 1.00 10.00 C ATOM 212 O CYS A 13 -2.901 -3.581 0.485 1.00 10.00 O ATOM 213 CB CYS A 13 -6.119 -3.701 1.383 1.00 10.00 C ATOM 214 SG CYS A 13 -5.572 -5.200 2.238 1.00 10.00 S ATOM 0 H CYS A 13 -6.603 -1.428 0.792 1.00 10.00 H new ATOM 0 HA CYS A 13 -4.411 -2.668 2.262 1.00 10.00 H new ATOM 0 HB2 CYS A 13 -6.972 -3.264 1.903 1.00 10.00 H new ATOM 0 HB3 CYS A 13 -6.452 -3.946 0.375 1.00 10.00 H new ATOM 0 HG CYS A 13 -6.552 -6.053 2.288 1.00 10.00 H new ATOM 220 N GLU A 14 -4.315 -2.803 -1.024 1.00 10.00 N ATOM 221 CA GLU A 14 -3.385 -3.125 -2.150 1.00 10.00 C ATOM 222 C GLU A 14 -2.117 -2.272 -2.031 1.00 10.00 C ATOM 223 O GLU A 14 -1.023 -2.720 -2.320 1.00 10.00 O ATOM 224 CB GLU A 14 -4.160 -2.777 -3.425 1.00 10.00 C ATOM 225 CG GLU A 14 -4.532 -4.063 -4.170 1.00 10.00 C ATOM 226 CD GLU A 14 -3.338 -4.547 -4.998 1.00 10.00 C ATOM 227 OE1 GLU A 14 -2.519 -5.270 -4.455 1.00 10.00 O ATOM 228 OE2 GLU A 14 -3.264 -4.187 -6.163 1.00 10.00 O ATOM 0 H GLU A 14 -5.198 -2.376 -1.303 1.00 10.00 H new ATOM 0 HA GLU A 14 -3.071 -4.169 -2.148 1.00 10.00 H new ATOM 0 HB2 GLU A 14 -5.061 -2.217 -3.173 1.00 10.00 H new ATOM 0 HB3 GLU A 14 -3.555 -2.136 -4.066 1.00 10.00 H new ATOM 0 HG2 GLU A 14 -4.829 -4.833 -3.458 1.00 10.00 H new ATOM 0 HG3 GLU A 14 -5.388 -3.883 -4.820 1.00 10.00 H new ATOM 235 N VAL A 15 -2.263 -1.050 -1.585 1.00 10.00 N ATOM 236 CA VAL A 15 -1.078 -0.155 -1.416 1.00 10.00 C ATOM 237 C VAL A 15 -0.380 -0.469 -0.083 1.00 10.00 C ATOM 238 O VAL A 15 0.799 -0.228 0.077 1.00 10.00 O ATOM 239 CB VAL A 15 -1.637 1.275 -1.413 1.00 10.00 C ATOM 240 CG1 VAL A 15 -0.491 2.279 -1.253 1.00 10.00 C ATOM 241 CG2 VAL A 15 -2.364 1.548 -2.735 1.00 10.00 C ATOM 0 H VAL A 15 -3.157 -0.632 -1.329 1.00 10.00 H new ATOM 0 HA VAL A 15 -0.342 -0.289 -2.208 1.00 10.00 H new ATOM 0 HB VAL A 15 -2.335 1.382 -0.582 1.00 10.00 H new ATOM 0 HG11 VAL A 15 -0.893 3.292 -1.251 1.00 10.00 H new ATOM 0 HG12 VAL A 15 0.027 2.093 -0.312 1.00 10.00 H new ATOM 0 HG13 VAL A 15 0.209 2.167 -2.081 1.00 10.00 H new ATOM 0 HG21 VAL A 15 -2.760 2.564 -2.730 1.00 10.00 H new ATOM 0 HG22 VAL A 15 -1.666 1.435 -3.564 1.00 10.00 H new ATOM 0 HG23 VAL A 15 -3.184 0.840 -2.852 1.00 10.00 H new ATOM 251 N LEU A 16 -1.105 -1.014 0.873 1.00 10.00 N ATOM 252 CA LEU A 16 -0.488 -1.357 2.194 1.00 10.00 C ATOM 253 C LEU A 16 0.703 -2.298 1.982 1.00 10.00 C ATOM 254 O LEU A 16 1.799 -2.036 2.441 1.00 10.00 O ATOM 255 CB LEU A 16 -1.602 -2.058 2.989 1.00 10.00 C ATOM 256 CG LEU A 16 -1.601 -1.574 4.444 1.00 10.00 C ATOM 257 CD1 LEU A 16 -0.228 -1.817 5.074 1.00 10.00 C ATOM 258 CD2 LEU A 16 -1.926 -0.077 4.492 1.00 10.00 C ATOM 0 H LEU A 16 -2.098 -1.235 0.792 1.00 10.00 H new ATOM 0 HA LEU A 16 -0.113 -0.479 2.720 1.00 10.00 H new ATOM 0 HB2 LEU A 16 -2.570 -1.853 2.531 1.00 10.00 H new ATOM 0 HB3 LEU A 16 -1.457 -3.138 2.957 1.00 10.00 H new ATOM 0 HG LEU A 16 -2.356 -2.128 5.002 1.00 10.00 H new ATOM 0 HD11 LEU A 16 -0.235 -1.471 6.107 1.00 10.00 H new ATOM 0 HD12 LEU A 16 -0.000 -2.883 5.050 1.00 10.00 H new ATOM 0 HD13 LEU A 16 0.531 -1.271 4.514 1.00 10.00 H new ATOM 0 HD21 LEU A 16 -1.924 0.263 5.528 1.00 10.00 H new ATOM 0 HD22 LEU A 16 -1.176 0.476 3.927 1.00 10.00 H new ATOM 0 HD23 LEU A 16 -2.910 0.096 4.055 1.00 10.00 H new ATOM 270 N SER A 17 0.500 -3.380 1.268 1.00 10.00 N ATOM 271 CA SER A 17 1.627 -4.328 1.000 1.00 10.00 C ATOM 272 C SER A 17 2.673 -3.637 0.118 1.00 10.00 C ATOM 273 O SER A 17 3.865 -3.806 0.304 1.00 10.00 O ATOM 274 CB SER A 17 0.999 -5.519 0.267 1.00 10.00 C ATOM 275 OG SER A 17 0.154 -5.044 -0.775 1.00 10.00 O ATOM 0 H SER A 17 -0.396 -3.647 0.860 1.00 10.00 H new ATOM 0 HA SER A 17 2.128 -4.649 1.913 1.00 10.00 H new ATOM 0 HB2 SER A 17 1.780 -6.158 -0.146 1.00 10.00 H new ATOM 0 HB3 SER A 17 0.425 -6.128 0.966 1.00 10.00 H new ATOM 0 HG SER A 17 -0.246 -5.806 -1.244 1.00 10.00 H new ATOM 281 N ASP A 18 2.228 -2.841 -0.828 1.00 10.00 N ATOM 282 CA ASP A 18 3.182 -2.110 -1.716 1.00 10.00 C ATOM 283 C ASP A 18 4.027 -1.143 -0.879 1.00 10.00 C ATOM 284 O ASP A 18 5.209 -0.985 -1.111 1.00 10.00 O ATOM 285 CB ASP A 18 2.298 -1.344 -2.708 1.00 10.00 C ATOM 286 CG ASP A 18 3.069 -1.101 -4.005 1.00 10.00 C ATOM 287 OD1 ASP A 18 3.104 -2.001 -4.828 1.00 10.00 O ATOM 288 OD2 ASP A 18 3.610 -0.017 -4.155 1.00 10.00 O ATOM 0 H ASP A 18 1.242 -2.668 -1.021 1.00 10.00 H new ATOM 0 HA ASP A 18 3.873 -2.778 -2.230 1.00 10.00 H new ATOM 0 HB2 ASP A 18 1.390 -1.911 -2.914 1.00 10.00 H new ATOM 0 HB3 ASP A 18 1.988 -0.393 -2.274 1.00 10.00 H new ATOM 293 N PHE A 19 3.425 -0.515 0.106 1.00 10.00 N ATOM 294 CA PHE A 19 4.189 0.426 0.985 1.00 10.00 C ATOM 295 C PHE A 19 5.363 -0.318 1.627 1.00 10.00 C ATOM 296 O PHE A 19 6.470 0.183 1.684 1.00 10.00 O ATOM 297 CB PHE A 19 3.192 0.873 2.060 1.00 10.00 C ATOM 298 CG PHE A 19 3.347 2.354 2.308 1.00 10.00 C ATOM 299 CD1 PHE A 19 4.435 2.828 3.052 1.00 10.00 C ATOM 300 CD2 PHE A 19 2.404 3.253 1.796 1.00 10.00 C ATOM 301 CE1 PHE A 19 4.579 4.200 3.284 1.00 10.00 C ATOM 302 CE2 PHE A 19 2.549 4.626 2.028 1.00 10.00 C ATOM 303 CZ PHE A 19 3.637 5.100 2.772 1.00 10.00 C ATOM 0 H PHE A 19 2.437 -0.615 0.338 1.00 10.00 H new ATOM 0 HA PHE A 19 4.595 1.275 0.435 1.00 10.00 H new ATOM 0 HB2 PHE A 19 2.174 0.652 1.741 1.00 10.00 H new ATOM 0 HB3 PHE A 19 3.364 0.319 2.983 1.00 10.00 H new ATOM 0 HD1 PHE A 19 5.163 2.134 3.447 1.00 10.00 H new ATOM 0 HD2 PHE A 19 1.565 2.888 1.222 1.00 10.00 H new ATOM 0 HE1 PHE A 19 5.417 4.565 3.859 1.00 10.00 H new ATOM 0 HE2 PHE A 19 1.822 5.320 1.633 1.00 10.00 H new ATOM 0 HZ PHE A 19 3.749 6.159 2.951 1.00 10.00 H new ATOM 313 N LYS A 20 5.124 -1.520 2.094 1.00 10.00 N ATOM 314 CA LYS A 20 6.221 -2.321 2.717 1.00 10.00 C ATOM 315 C LYS A 20 7.336 -2.546 1.689 1.00 10.00 C ATOM 316 O LYS A 20 8.505 -2.390 1.989 1.00 10.00 O ATOM 317 CB LYS A 20 5.575 -3.652 3.116 1.00 10.00 C ATOM 318 CG LYS A 20 6.415 -4.325 4.206 1.00 10.00 C ATOM 319 CD LYS A 20 5.908 -3.896 5.587 1.00 10.00 C ATOM 320 CE LYS A 20 4.942 -4.955 6.132 1.00 10.00 C ATOM 321 NZ LYS A 20 5.578 -5.460 7.384 1.00 10.00 N ATOM 0 H LYS A 20 4.214 -1.980 2.070 1.00 10.00 H new ATOM 0 HA LYS A 20 6.667 -1.822 3.578 1.00 10.00 H new ATOM 0 HB2 LYS A 20 4.561 -3.482 3.478 1.00 10.00 H new ATOM 0 HB3 LYS A 20 5.498 -4.305 2.247 1.00 10.00 H new ATOM 0 HG2 LYS A 20 6.356 -5.409 4.107 1.00 10.00 H new ATOM 0 HG3 LYS A 20 7.464 -4.051 4.092 1.00 10.00 H new ATOM 0 HD2 LYS A 20 6.748 -3.769 6.270 1.00 10.00 H new ATOM 0 HD3 LYS A 20 5.405 -2.932 5.517 1.00 10.00 H new ATOM 0 HE2 LYS A 20 3.961 -4.525 6.335 1.00 10.00 H new ATOM 0 HE3 LYS A 20 4.795 -5.761 5.413 1.00 10.00 H new ATOM 0 HZ1 LYS A 20 4.972 -6.189 7.812 1.00 10.00 H new ATOM 0 HZ2 LYS A 20 6.507 -5.870 7.160 1.00 10.00 H new ATOM 0 HZ3 LYS A 20 5.699 -4.673 8.054 1.00 10.00 H new ATOM 335 N THR A 21 6.979 -2.895 0.474 1.00 10.00 N ATOM 336 CA THR A 21 8.018 -3.112 -0.582 1.00 10.00 C ATOM 337 C THR A 21 8.676 -1.775 -0.943 1.00 10.00 C ATOM 338 O THR A 21 9.860 -1.718 -1.210 1.00 10.00 O ATOM 339 CB THR A 21 7.262 -3.694 -1.782 1.00 10.00 C ATOM 340 OG1 THR A 21 6.560 -4.861 -1.373 1.00 10.00 O ATOM 341 CG2 THR A 21 8.249 -4.060 -2.892 1.00 10.00 C ATOM 0 H THR A 21 6.016 -3.038 0.170 1.00 10.00 H new ATOM 0 HA THR A 21 8.813 -3.781 -0.254 1.00 10.00 H new ATOM 0 HB THR A 21 6.558 -2.951 -2.158 1.00 10.00 H new ATOM 0 HG1 THR A 21 6.074 -5.235 -2.137 1.00 10.00 H new ATOM 0 HG21 THR A 21 7.705 -4.473 -3.741 1.00 10.00 H new ATOM 0 HG22 THR A 21 8.790 -3.168 -3.207 1.00 10.00 H new ATOM 0 HG23 THR A 21 8.957 -4.801 -2.520 1.00 10.00 H new ATOM 349 N TRP A 22 7.918 -0.700 -0.934 1.00 10.00 N ATOM 350 CA TRP A 22 8.500 0.641 -1.255 1.00 10.00 C ATOM 351 C TRP A 22 9.659 0.932 -0.301 1.00 10.00 C ATOM 352 O TRP A 22 10.731 1.329 -0.714 1.00 10.00 O ATOM 353 CB TRP A 22 7.363 1.639 -1.023 1.00 10.00 C ATOM 354 CG TRP A 22 7.700 2.942 -1.675 1.00 10.00 C ATOM 355 CD1 TRP A 22 7.332 3.306 -2.925 1.00 10.00 C ATOM 356 CD2 TRP A 22 8.466 4.056 -1.131 1.00 10.00 C ATOM 357 NE1 TRP A 22 7.825 4.574 -3.183 1.00 10.00 N ATOM 358 CE2 TRP A 22 8.530 5.078 -2.107 1.00 10.00 C ATOM 359 CE3 TRP A 22 9.104 4.277 0.103 1.00 10.00 C ATOM 360 CZ2 TRP A 22 9.203 6.276 -1.869 1.00 10.00 C ATOM 361 CZ3 TRP A 22 9.784 5.482 0.346 1.00 10.00 C ATOM 362 CH2 TRP A 22 9.832 6.479 -0.638 1.00 10.00 C ATOM 0 H TRP A 22 6.921 -0.696 -0.718 1.00 10.00 H new ATOM 0 HA TRP A 22 8.885 0.696 -2.273 1.00 10.00 H new ATOM 0 HB2 TRP A 22 6.432 1.246 -1.431 1.00 10.00 H new ATOM 0 HB3 TRP A 22 7.206 1.785 0.046 1.00 10.00 H new ATOM 0 HD1 TRP A 22 6.750 2.706 -3.609 1.00 10.00 H new ATOM 0 HE1 TRP A 22 7.685 5.075 -4.060 1.00 10.00 H new ATOM 0 HE3 TRP A 22 9.071 3.516 0.868 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 9.238 7.041 -2.630 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 10.272 5.641 1.296 1.00 10.00 H new ATOM 0 HH2 TRP A 22 10.355 7.404 -0.445 1.00 10.00 H new ATOM 373 N LEU A 23 9.443 0.719 0.973 1.00 10.00 N ATOM 374 CA LEU A 23 10.525 0.958 1.977 1.00 10.00 C ATOM 375 C LEU A 23 11.716 0.036 1.683 1.00 10.00 C ATOM 376 O LEU A 23 12.857 0.454 1.723 1.00 10.00 O ATOM 377 CB LEU A 23 9.901 0.620 3.337 1.00 10.00 C ATOM 378 CG LEU A 23 9.479 1.912 4.044 1.00 10.00 C ATOM 379 CD1 LEU A 23 8.114 2.364 3.521 1.00 10.00 C ATOM 380 CD2 LEU A 23 9.385 1.661 5.552 1.00 10.00 C ATOM 0 H LEU A 23 8.560 0.388 1.362 1.00 10.00 H new ATOM 0 HA LEU A 23 10.895 1.983 1.952 1.00 10.00 H new ATOM 0 HB2 LEU A 23 9.037 -0.031 3.201 1.00 10.00 H new ATOM 0 HB3 LEU A 23 10.617 0.074 3.952 1.00 10.00 H new ATOM 0 HG LEU A 23 10.218 2.688 3.846 1.00 10.00 H new ATOM 0 HD11 LEU A 23 7.817 3.283 4.026 1.00 10.00 H new ATOM 0 HD12 LEU A 23 8.177 2.544 2.448 1.00 10.00 H new ATOM 0 HD13 LEU A 23 7.374 1.588 3.716 1.00 10.00 H new ATOM 0 HD21 LEU A 23 9.085 2.580 6.056 1.00 10.00 H new ATOM 0 HD22 LEU A 23 8.647 0.883 5.746 1.00 10.00 H new ATOM 0 HD23 LEU A 23 10.357 1.341 5.929 1.00 10.00 H new ATOM 392 N LYS A 24 11.453 -1.215 1.370 1.00 10.00 N ATOM 393 CA LYS A 24 12.566 -2.164 1.051 1.00 10.00 C ATOM 394 C LYS A 24 13.258 -1.732 -0.248 1.00 10.00 C ATOM 395 O LYS A 24 14.464 -1.823 -0.379 1.00 10.00 O ATOM 396 CB LYS A 24 11.898 -3.530 0.877 1.00 10.00 C ATOM 397 CG LYS A 24 11.767 -4.216 2.241 1.00 10.00 C ATOM 398 CD LYS A 24 12.330 -5.638 2.159 1.00 10.00 C ATOM 399 CE LYS A 24 11.259 -6.583 1.601 1.00 10.00 C ATOM 400 NZ LYS A 24 12.007 -7.592 0.797 1.00 10.00 N ATOM 0 H LYS A 24 10.516 -1.616 1.323 1.00 10.00 H new ATOM 0 HA LYS A 24 13.327 -2.188 1.831 1.00 10.00 H new ATOM 0 HB2 LYS A 24 10.914 -3.410 0.423 1.00 10.00 H new ATOM 0 HB3 LYS A 24 12.487 -4.151 0.202 1.00 10.00 H new ATOM 0 HG2 LYS A 24 12.303 -3.645 2.999 1.00 10.00 H new ATOM 0 HG3 LYS A 24 10.721 -4.246 2.545 1.00 10.00 H new ATOM 0 HD2 LYS A 24 13.213 -5.654 1.520 1.00 10.00 H new ATOM 0 HD3 LYS A 24 12.646 -5.973 3.147 1.00 10.00 H new ATOM 0 HE2 LYS A 24 10.696 -7.059 2.404 1.00 10.00 H new ATOM 0 HE3 LYS A 24 10.540 -6.043 0.985 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 11.338 -8.272 0.384 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 12.527 -7.112 0.035 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 12.679 -8.096 1.411 1.00 10.00 H new ATOM 414 N ALA A 25 12.499 -1.249 -1.202 1.00 10.00 N ATOM 415 CA ALA A 25 13.101 -0.792 -2.491 1.00 10.00 C ATOM 416 C ALA A 25 13.873 0.519 -2.281 1.00 10.00 C ATOM 417 O ALA A 25 14.838 0.793 -2.970 1.00 10.00 O ATOM 418 CB ALA A 25 11.912 -0.570 -3.430 1.00 10.00 C ATOM 0 H ALA A 25 11.485 -1.152 -1.142 1.00 10.00 H new ATOM 0 HA ALA A 25 13.808 -1.516 -2.895 1.00 10.00 H new ATOM 0 HB1 ALA A 25 12.274 -0.232 -4.401 1.00 10.00 H new ATOM 0 HB2 ALA A 25 11.365 -1.505 -3.552 1.00 10.00 H new ATOM 0 HB3 ALA A 25 11.250 0.185 -3.006 1.00 10.00 H new ATOM 424 N LYS A 26 13.457 1.329 -1.334 1.00 10.00 N ATOM 425 CA LYS A 26 14.165 2.622 -1.075 1.00 10.00 C ATOM 426 C LYS A 26 15.604 2.363 -0.603 1.00 10.00 C ATOM 427 O LYS A 26 16.523 3.052 -1.001 1.00 10.00 O ATOM 428 CB LYS A 26 13.353 3.308 0.028 1.00 10.00 C ATOM 429 CG LYS A 26 13.852 4.744 0.218 1.00 10.00 C ATOM 430 CD LYS A 26 13.100 5.682 -0.732 1.00 10.00 C ATOM 431 CE LYS A 26 14.102 6.411 -1.635 1.00 10.00 C ATOM 432 NZ LYS A 26 13.411 7.665 -2.058 1.00 10.00 N ATOM 0 H LYS A 26 12.656 1.148 -0.729 1.00 10.00 H new ATOM 0 HA LYS A 26 14.235 3.236 -1.973 1.00 10.00 H new ATOM 0 HB2 LYS A 26 12.295 3.312 -0.235 1.00 10.00 H new ATOM 0 HB3 LYS A 26 13.448 2.753 0.961 1.00 10.00 H new ATOM 0 HG2 LYS A 26 13.700 5.058 1.251 1.00 10.00 H new ATOM 0 HG3 LYS A 26 14.923 4.796 0.023 1.00 10.00 H new ATOM 0 HD2 LYS A 26 12.395 5.113 -1.339 1.00 10.00 H new ATOM 0 HD3 LYS A 26 12.518 6.405 -0.160 1.00 10.00 H new ATOM 0 HE2 LYS A 26 15.025 6.632 -1.100 1.00 10.00 H new ATOM 0 HE3 LYS A 26 14.371 5.800 -2.497 1.00 10.00 H new ATOM 0 HZ1 LYS A 26 14.039 8.215 -2.679 1.00 10.00 H new ATOM 0 HZ2 LYS A 26 12.539 7.425 -2.572 1.00 10.00 H new ATOM 0 HZ3 LYS A 26 13.173 8.230 -1.218 1.00 10.00 H new ATOM 446 N LEU A 27 15.803 1.377 0.240 1.00 10.00 N ATOM 447 CA LEU A 27 17.186 1.079 0.732 1.00 10.00 C ATOM 448 C LEU A 27 17.900 0.073 -0.192 1.00 10.00 C ATOM 449 O LEU A 27 19.029 -0.308 0.059 1.00 10.00 O ATOM 450 CB LEU A 27 17.006 0.497 2.143 1.00 10.00 C ATOM 451 CG LEU A 27 16.266 -0.846 2.080 1.00 10.00 C ATOM 452 CD1 LEU A 27 17.271 -1.996 2.192 1.00 10.00 C ATOM 453 CD2 LEU A 27 15.267 -0.930 3.238 1.00 10.00 C ATOM 0 H LEU A 27 15.071 0.769 0.607 1.00 10.00 H new ATOM 0 HA LEU A 27 17.807 1.975 0.743 1.00 10.00 H new ATOM 0 HB2 LEU A 27 17.980 0.361 2.613 1.00 10.00 H new ATOM 0 HB3 LEU A 27 16.448 1.198 2.763 1.00 10.00 H new ATOM 0 HG LEU A 27 15.736 -0.922 1.131 1.00 10.00 H new ATOM 0 HD11 LEU A 27 16.741 -2.948 2.147 1.00 10.00 H new ATOM 0 HD12 LEU A 27 17.984 -1.938 1.369 1.00 10.00 H new ATOM 0 HD13 LEU A 27 17.804 -1.922 3.140 1.00 10.00 H new ATOM 0 HD21 LEU A 27 14.740 -1.883 3.195 1.00 10.00 H new ATOM 0 HD22 LEU A 27 15.801 -0.852 4.185 1.00 10.00 H new ATOM 0 HD23 LEU A 27 14.548 -0.114 3.159 1.00 10.00 H new ATOM 465 N MET A 28 17.260 -0.355 -1.256 1.00 10.00 N ATOM 466 CA MET A 28 17.911 -1.327 -2.188 1.00 10.00 C ATOM 467 C MET A 28 18.781 -0.580 -3.213 1.00 10.00 C ATOM 468 O MET A 28 18.277 0.217 -3.984 1.00 10.00 O ATOM 469 CB MET A 28 16.756 -2.050 -2.891 1.00 10.00 C ATOM 470 CG MET A 28 16.585 -3.447 -2.293 1.00 10.00 C ATOM 471 SD MET A 28 15.642 -4.483 -3.441 1.00 10.00 S ATOM 472 CE MET A 28 17.045 -5.089 -4.409 1.00 10.00 C ATOM 0 H MET A 28 16.316 -0.072 -1.517 1.00 10.00 H new ATOM 0 HA MET A 28 18.564 -2.023 -1.662 1.00 10.00 H new ATOM 0 HB2 MET A 28 15.834 -1.480 -2.778 1.00 10.00 H new ATOM 0 HB3 MET A 28 16.956 -2.123 -3.960 1.00 10.00 H new ATOM 0 HG2 MET A 28 17.560 -3.894 -2.100 1.00 10.00 H new ATOM 0 HG3 MET A 28 16.069 -3.384 -1.335 1.00 10.00 H new ATOM 0 HE1 MET A 28 16.686 -5.759 -5.190 1.00 10.00 H new ATOM 0 HE2 MET A 28 17.564 -4.246 -4.865 1.00 10.00 H new ATOM 0 HE3 MET A 28 17.732 -5.628 -3.756 1.00 10.00 H new ATOM 482 N PRO A 29 20.064 -0.863 -3.188 1.00 10.00 N ATOM 483 CA PRO A 29 21.011 -0.204 -4.129 1.00 10.00 C ATOM 484 C PRO A 29 20.875 -0.781 -5.545 1.00 10.00 C ATOM 485 O PRO A 29 20.023 -1.610 -5.813 1.00 10.00 O ATOM 486 CB PRO A 29 22.382 -0.528 -3.544 1.00 10.00 C ATOM 487 CG PRO A 29 22.186 -1.779 -2.748 1.00 10.00 C ATOM 488 CD PRO A 29 20.749 -1.805 -2.291 1.00 10.00 C ATOM 0 HA PRO A 29 20.830 0.867 -4.226 1.00 10.00 H new ATOM 0 HB2 PRO A 29 23.121 -0.675 -4.332 1.00 10.00 H new ATOM 0 HB3 PRO A 29 22.744 0.286 -2.915 1.00 10.00 H new ATOM 0 HG2 PRO A 29 22.412 -2.657 -3.352 1.00 10.00 H new ATOM 0 HG3 PRO A 29 22.861 -1.799 -1.892 1.00 10.00 H new ATOM 0 HD2 PRO A 29 20.326 -2.806 -2.368 1.00 10.00 H new ATOM 0 HD3 PRO A 29 20.658 -1.499 -1.249 1.00 10.00 H new ATOM 496 N GLN A 30 21.714 -0.345 -6.450 1.00 10.00 N ATOM 497 CA GLN A 30 21.650 -0.859 -7.854 1.00 10.00 C ATOM 498 C GLN A 30 23.061 -1.138 -8.386 1.00 10.00 C ATOM 499 O GLN A 30 24.014 -0.478 -8.017 1.00 10.00 O ATOM 500 CB GLN A 30 20.983 0.261 -8.659 1.00 10.00 C ATOM 501 CG GLN A 30 19.568 -0.165 -9.066 1.00 10.00 C ATOM 502 CD GLN A 30 19.642 -1.318 -10.072 1.00 10.00 C ATOM 503 OE1 GLN A 30 19.173 -2.405 -9.801 1.00 10.00 O ATOM 504 NE2 GLN A 30 20.215 -1.127 -11.231 1.00 10.00 N ATOM 0 H GLN A 30 22.443 0.347 -6.277 1.00 10.00 H new ATOM 0 HA GLN A 30 21.097 -1.795 -7.923 1.00 10.00 H new ATOM 0 HB2 GLN A 30 20.941 1.174 -8.064 1.00 10.00 H new ATOM 0 HB3 GLN A 30 21.575 0.486 -9.546 1.00 10.00 H new ATOM 0 HG2 GLN A 30 19.004 -0.474 -8.186 1.00 10.00 H new ATOM 0 HG3 GLN A 30 19.036 0.679 -9.505 1.00 10.00 H new ATOM 0 HE21 GLN A 30 20.610 -0.215 -11.461 1.00 10.00 H new ATOM 0 HE22 GLN A 30 20.268 -1.890 -11.906 1.00 10.00 H new ATOM 513 N LEU A 31 23.197 -2.111 -9.253 1.00 10.00 N ATOM 514 CA LEU A 31 24.544 -2.441 -9.816 1.00 10.00 C ATOM 515 C LEU A 31 24.421 -2.849 -11.290 1.00 10.00 C ATOM 516 O LEU A 31 25.192 -2.342 -12.089 1.00 10.00 O ATOM 517 CB LEU A 31 25.053 -3.611 -8.970 1.00 10.00 C ATOM 518 CG LEU A 31 26.578 -3.533 -8.848 1.00 10.00 C ATOM 519 CD1 LEU A 31 27.012 -4.077 -7.486 1.00 10.00 C ATOM 520 CD2 LEU A 31 27.223 -4.368 -9.958 1.00 10.00 C ATOM 521 OXT LEU A 31 23.562 -3.663 -11.595 1.00 10.00 O ATOM 0 H LEU A 31 22.432 -2.692 -9.596 1.00 10.00 H new ATOM 0 HA LEU A 31 25.225 -1.590 -9.782 1.00 10.00 H new ATOM 0 HB2 LEU A 31 24.597 -3.582 -7.980 1.00 10.00 H new ATOM 0 HB3 LEU A 31 24.763 -4.557 -9.427 1.00 10.00 H new ATOM 0 HG LEU A 31 26.895 -2.494 -8.942 1.00 10.00 H new ATOM 0 HD11 LEU A 31 28.097 -4.021 -7.401 1.00 10.00 H new ATOM 0 HD12 LEU A 31 26.555 -3.483 -6.695 1.00 10.00 H new ATOM 0 HD13 LEU A 31 26.694 -5.115 -7.391 1.00 10.00 H new ATOM 0 HD21 LEU A 31 28.308 -4.312 -9.871 1.00 10.00 H new ATOM 0 HD22 LEU A 31 26.904 -5.406 -9.864 1.00 10.00 H new ATOM 0 HD23 LEU A 31 26.916 -3.981 -10.930 1.00 10.00 H new TER 533 LEU A 31