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+ -171:sc= 0.763 (180deg=0.645) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -80:sc= -0.356 USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0.0493 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.255 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -131:sc= 0 (180deg=-0.0124) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0.56 K(o=0.56,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -12.461 3.538 -9.746 1.00 10.00 N ATOM 2 CA SER A 1 -12.804 2.922 -11.064 1.00 10.00 C ATOM 3 C SER A 1 -14.097 2.101 -10.954 1.00 10.00 C ATOM 4 O SER A 1 -15.051 2.343 -11.667 1.00 10.00 O ATOM 5 CB SER A 1 -11.618 2.018 -11.408 1.00 10.00 C ATOM 6 OG SER A 1 -10.462 2.820 -11.618 1.00 10.00 O ATOM 0 H1 SER A 1 -11.676 4.209 -9.870 1.00 10.00 H new ATOM 0 H2 SER A 1 -13.291 4.041 -9.372 1.00 10.00 H new ATOM 0 H3 SER A 1 -12.177 2.793 -9.078 1.00 10.00 H new ATOM 0 HA SER A 1 -12.975 3.675 -11.833 1.00 10.00 H new ATOM 0 HB2 SER A 1 -11.441 1.308 -10.600 1.00 10.00 H new ATOM 0 HB3 SER A 1 -11.838 1.435 -12.302 1.00 10.00 H new ATOM 0 HG SER A 1 -9.700 2.244 -11.837 1.00 10.00 H new ATOM 14 N GLY A 2 -14.134 1.134 -10.069 1.00 10.00 N ATOM 15 CA GLY A 2 -15.363 0.298 -9.914 1.00 10.00 C ATOM 16 C GLY A 2 -16.374 1.027 -9.026 1.00 10.00 C ATOM 17 O GLY A 2 -17.508 1.244 -9.413 1.00 10.00 O ATOM 0 H GLY A 2 -13.364 0.888 -9.447 1.00 10.00 H new ATOM 0 HA2 GLY A 2 -15.802 0.095 -10.891 1.00 10.00 H new ATOM 0 HA3 GLY A 2 -15.106 -0.665 -9.474 1.00 10.00 H new ATOM 21 N SER A 3 -15.973 1.402 -7.837 1.00 10.00 N ATOM 22 CA SER A 3 -16.906 2.116 -6.913 1.00 10.00 C ATOM 23 C SER A 3 -16.206 3.328 -6.281 1.00 10.00 C ATOM 24 O SER A 3 -15.188 3.790 -6.763 1.00 10.00 O ATOM 25 CB SER A 3 -17.276 1.078 -5.849 1.00 10.00 C ATOM 26 OG SER A 3 -16.154 0.837 -5.009 1.00 10.00 O ATOM 0 H SER A 3 -15.036 1.244 -7.466 1.00 10.00 H new ATOM 0 HA SER A 3 -17.787 2.501 -7.426 1.00 10.00 H new ATOM 0 HB2 SER A 3 -18.118 1.435 -5.255 1.00 10.00 H new ATOM 0 HB3 SER A 3 -17.592 0.150 -6.326 1.00 10.00 H new ATOM 0 HG SER A 3 -15.538 0.219 -5.455 1.00 10.00 H new ATOM 32 N TRP A 4 -16.749 3.846 -5.207 1.00 10.00 N ATOM 33 CA TRP A 4 -16.123 5.028 -4.540 1.00 10.00 C ATOM 34 C TRP A 4 -15.581 4.635 -3.161 1.00 10.00 C ATOM 35 O TRP A 4 -14.472 4.982 -2.802 1.00 10.00 O ATOM 36 CB TRP A 4 -17.254 6.051 -4.404 1.00 10.00 C ATOM 37 CG TRP A 4 -16.777 7.388 -4.871 1.00 10.00 C ATOM 38 CD1 TRP A 4 -17.073 7.941 -6.070 1.00 10.00 C ATOM 39 CD2 TRP A 4 -15.927 8.345 -4.175 1.00 10.00 C ATOM 40 NE1 TRP A 4 -16.458 9.177 -6.154 1.00 10.00 N ATOM 41 CE2 TRP A 4 -15.740 9.471 -5.011 1.00 10.00 C ATOM 42 CE3 TRP A 4 -15.307 8.344 -2.914 1.00 10.00 C ATOM 43 CZ2 TRP A 4 -14.966 10.560 -4.608 1.00 10.00 C ATOM 44 CZ3 TRP A 4 -14.527 9.439 -2.505 1.00 10.00 C ATOM 45 CH2 TRP A 4 -14.356 10.543 -3.351 1.00 10.00 C ATOM 0 H TRP A 4 -17.600 3.500 -4.763 1.00 10.00 H new ATOM 0 HA TRP A 4 -15.281 5.425 -5.108 1.00 10.00 H new ATOM 0 HB2 TRP A 4 -18.116 5.735 -4.991 1.00 10.00 H new ATOM 0 HB3 TRP A 4 -17.580 6.112 -3.366 1.00 10.00 H new ATOM 0 HD1 TRP A 4 -17.688 7.491 -6.835 1.00 10.00 H new ATOM 0 HE1 TRP A 4 -16.526 9.796 -6.962 1.00 10.00 H new ATOM 0 HE3 TRP A 4 -15.431 7.497 -2.255 1.00 10.00 H new ATOM 0 HZ2 TRP A 4 -14.839 11.410 -5.263 1.00 10.00 H new ATOM 0 HZ3 TRP A 4 -14.057 9.430 -1.533 1.00 10.00 H new ATOM 0 HH2 TRP A 4 -13.753 11.380 -3.032 1.00 10.00 H new ATOM 56 N LEU A 5 -16.360 3.921 -2.382 1.00 10.00 N ATOM 57 CA LEU A 5 -15.897 3.512 -1.019 1.00 10.00 C ATOM 58 C LEU A 5 -15.076 2.219 -1.091 1.00 10.00 C ATOM 59 O LEU A 5 -13.980 2.149 -0.569 1.00 10.00 O ATOM 60 CB LEU A 5 -17.181 3.293 -0.211 1.00 10.00 C ATOM 61 CG LEU A 5 -16.831 3.081 1.267 1.00 10.00 C ATOM 62 CD1 LEU A 5 -17.637 4.058 2.129 1.00 10.00 C ATOM 63 CD2 LEU A 5 -17.173 1.644 1.671 1.00 10.00 C ATOM 0 H LEU A 5 -17.297 3.604 -2.633 1.00 10.00 H new ATOM 0 HA LEU A 5 -15.252 4.264 -0.565 1.00 10.00 H new ATOM 0 HB2 LEU A 5 -17.841 4.154 -0.319 1.00 10.00 H new ATOM 0 HB3 LEU A 5 -17.721 2.427 -0.595 1.00 10.00 H new ATOM 0 HG LEU A 5 -15.766 3.258 1.417 1.00 10.00 H new ATOM 0 HD11 LEU A 5 -17.388 3.907 3.179 1.00 10.00 H new ATOM 0 HD12 LEU A 5 -17.395 5.081 1.842 1.00 10.00 H new ATOM 0 HD13 LEU A 5 -18.702 3.882 1.980 1.00 10.00 H new ATOM 0 HD21 LEU A 5 -16.925 1.492 2.721 1.00 10.00 H new ATOM 0 HD22 LEU A 5 -18.238 1.468 1.521 1.00 10.00 H new ATOM 0 HD23 LEU A 5 -16.600 0.948 1.059 1.00 10.00 H new ATOM 75 N ARG A 6 -15.597 1.195 -1.727 1.00 10.00 N ATOM 76 CA ARG A 6 -14.843 -0.097 -1.823 1.00 10.00 C ATOM 77 C ARG A 6 -13.540 0.092 -2.612 1.00 10.00 C ATOM 78 O ARG A 6 -12.527 -0.494 -2.287 1.00 10.00 O ATOM 79 CB ARG A 6 -15.777 -1.066 -2.555 1.00 10.00 C ATOM 80 CG ARG A 6 -15.459 -2.502 -2.126 1.00 10.00 C ATOM 81 CD ARG A 6 -16.163 -3.488 -3.065 1.00 10.00 C ATOM 82 NE ARG A 6 -15.078 -4.071 -3.908 1.00 10.00 N ATOM 83 CZ ARG A 6 -15.362 -4.576 -5.079 1.00 10.00 C ATOM 84 NH1 ARG A 6 -15.342 -3.813 -6.140 1.00 10.00 N ATOM 85 NH2 ARG A 6 -15.660 -5.845 -5.186 1.00 10.00 N ATOM 0 H ARG A 6 -16.510 1.198 -2.183 1.00 10.00 H new ATOM 0 HA ARG A 6 -14.563 -0.471 -0.838 1.00 10.00 H new ATOM 0 HB2 ARG A 6 -16.816 -0.829 -2.327 1.00 10.00 H new ATOM 0 HB3 ARG A 6 -15.655 -0.961 -3.633 1.00 10.00 H new ATOM 0 HG2 ARG A 6 -14.382 -2.669 -2.149 1.00 10.00 H new ATOM 0 HG3 ARG A 6 -15.786 -2.666 -1.099 1.00 10.00 H new ATOM 0 HD2 ARG A 6 -16.684 -4.263 -2.503 1.00 10.00 H new ATOM 0 HD3 ARG A 6 -16.909 -2.983 -3.678 1.00 10.00 H new ATOM 0 HE ARG A 6 -14.116 -4.075 -3.570 1.00 10.00 H new ATOM 0 HH11 ARG A 6 -15.105 -2.825 -6.053 1.00 10.00 H new ATOM 0 HH12 ARG A 6 -15.563 -4.206 -7.055 1.00 10.00 H new ATOM 0 HH21 ARG A 6 -15.670 -6.438 -4.356 1.00 10.00 H new ATOM 0 HH22 ARG A 6 -15.882 -6.241 -6.099 1.00 10.00 H new ATOM 99 N ASP A 7 -13.558 0.907 -3.641 1.00 10.00 N ATOM 100 CA ASP A 7 -12.317 1.134 -4.445 1.00 10.00 C ATOM 101 C ASP A 7 -11.231 1.776 -3.573 1.00 10.00 C ATOM 102 O ASP A 7 -10.086 1.367 -3.597 1.00 10.00 O ATOM 103 CB ASP A 7 -12.732 2.081 -5.575 1.00 10.00 C ATOM 104 CG ASP A 7 -12.531 1.386 -6.920 1.00 10.00 C ATOM 105 OD1 ASP A 7 -13.336 0.529 -7.247 1.00 10.00 O ATOM 106 OD2 ASP A 7 -11.580 1.722 -7.606 1.00 10.00 O ATOM 0 H ASP A 7 -14.379 1.424 -3.957 1.00 10.00 H new ATOM 0 HA ASP A 7 -11.904 0.203 -4.832 1.00 10.00 H new ATOM 0 HB2 ASP A 7 -13.776 2.371 -5.456 1.00 10.00 H new ATOM 0 HB3 ASP A 7 -12.140 2.995 -5.534 1.00 10.00 H new ATOM 111 N ILE A 8 -11.584 2.774 -2.798 1.00 10.00 N ATOM 112 CA ILE A 8 -10.570 3.436 -1.916 1.00 10.00 C ATOM 113 C ILE A 8 -10.172 2.489 -0.775 1.00 10.00 C ATOM 114 O ILE A 8 -9.005 2.337 -0.470 1.00 10.00 O ATOM 115 CB ILE A 8 -11.262 4.694 -1.369 1.00 10.00 C ATOM 116 CG1 ILE A 8 -11.334 5.754 -2.474 1.00 10.00 C ATOM 117 CG2 ILE A 8 -10.467 5.251 -0.182 1.00 10.00 C ATOM 118 CD1 ILE A 8 -12.174 6.941 -1.997 1.00 10.00 C ATOM 0 H ILE A 8 -12.527 3.158 -2.738 1.00 10.00 H new ATOM 0 HA ILE A 8 -9.656 3.689 -2.454 1.00 10.00 H new ATOM 0 HB ILE A 8 -12.268 4.436 -1.039 1.00 10.00 H new ATOM 0 HG12 ILE A 8 -10.330 6.089 -2.736 1.00 10.00 H new ATOM 0 HG13 ILE A 8 -11.772 5.325 -3.375 1.00 10.00 H new ATOM 0 HG21 ILE A 8 -10.963 6.143 0.201 1.00 10.00 H new ATOM 0 HG22 ILE A 8 -10.413 4.499 0.605 1.00 10.00 H new ATOM 0 HG23 ILE A 8 -9.459 5.508 -0.508 1.00 10.00 H new ATOM 0 HD11 ILE A 8 -12.223 7.692 -2.785 1.00 10.00 H new ATOM 0 HD12 ILE A 8 -13.181 6.601 -1.757 1.00 10.00 H new ATOM 0 HD13 ILE A 8 -11.717 7.377 -1.108 1.00 10.00 H new ATOM 130 N TRP A 9 -11.134 1.851 -0.149 1.00 10.00 N ATOM 131 CA TRP A 9 -10.814 0.911 0.971 1.00 10.00 C ATOM 132 C TRP A 9 -9.917 -0.228 0.469 1.00 10.00 C ATOM 133 O TRP A 9 -8.923 -0.561 1.087 1.00 10.00 O ATOM 134 CB TRP A 9 -12.166 0.366 1.442 1.00 10.00 C ATOM 135 CG TRP A 9 -12.016 -0.239 2.802 1.00 10.00 C ATOM 136 CD1 TRP A 9 -12.361 -1.506 3.130 1.00 10.00 C ATOM 137 CD2 TRP A 9 -11.490 0.370 4.017 1.00 10.00 C ATOM 138 NE1 TRP A 9 -12.080 -1.712 4.468 1.00 10.00 N ATOM 139 CE2 TRP A 9 -11.542 -0.586 5.058 1.00 10.00 C ATOM 140 CE3 TRP A 9 -10.977 1.646 4.315 1.00 10.00 C ATOM 141 CZ2 TRP A 9 -11.102 -0.288 6.349 1.00 10.00 C ATOM 142 CZ3 TRP A 9 -10.533 1.950 5.611 1.00 10.00 C ATOM 143 CH2 TRP A 9 -10.595 0.985 6.626 1.00 10.00 C ATOM 0 H TRP A 9 -12.126 1.942 -0.366 1.00 10.00 H new ATOM 0 HA TRP A 9 -10.275 1.406 1.779 1.00 10.00 H new ATOM 0 HB2 TRP A 9 -12.904 1.168 1.469 1.00 10.00 H new ATOM 0 HB3 TRP A 9 -12.533 -0.381 0.739 1.00 10.00 H new ATOM 0 HD1 TRP A 9 -12.786 -2.236 2.457 1.00 10.00 H new ATOM 0 HE1 TRP A 9 -12.250 -2.590 4.959 1.00 10.00 H new ATOM 0 HE3 TRP A 9 -10.925 2.397 3.541 1.00 10.00 H new ATOM 0 HZ2 TRP A 9 -11.153 -1.035 7.127 1.00 10.00 H new ATOM 0 HZ3 TRP A 9 -10.141 2.933 5.828 1.00 10.00 H new ATOM 0 HH2 TRP A 9 -10.251 1.225 7.621 1.00 10.00 H new ATOM 154 N ASP A 10 -10.256 -0.817 -0.652 1.00 10.00 N ATOM 155 CA ASP A 10 -9.419 -1.927 -1.206 1.00 10.00 C ATOM 156 C ASP A 10 -8.010 -1.411 -1.525 1.00 10.00 C ATOM 157 O ASP A 10 -7.028 -2.072 -1.252 1.00 10.00 O ATOM 158 CB ASP A 10 -10.135 -2.379 -2.483 1.00 10.00 C ATOM 159 CG ASP A 10 -9.528 -3.696 -2.968 1.00 10.00 C ATOM 160 OD1 ASP A 10 -9.954 -4.735 -2.489 1.00 10.00 O ATOM 161 OD2 ASP A 10 -8.648 -3.643 -3.812 1.00 10.00 O ATOM 0 H ASP A 10 -11.077 -0.577 -1.208 1.00 10.00 H new ATOM 0 HA ASP A 10 -9.305 -2.750 -0.501 1.00 10.00 H new ATOM 0 HB2 ASP A 10 -11.200 -2.506 -2.290 1.00 10.00 H new ATOM 0 HB3 ASP A 10 -10.040 -1.616 -3.256 1.00 10.00 H new ATOM 166 N TRP A 11 -7.904 -0.230 -2.091 1.00 10.00 N ATOM 167 CA TRP A 11 -6.556 0.334 -2.414 1.00 10.00 C ATOM 168 C TRP A 11 -5.755 0.558 -1.124 1.00 10.00 C ATOM 169 O TRP A 11 -4.570 0.284 -1.068 1.00 10.00 O ATOM 170 CB TRP A 11 -6.833 1.665 -3.119 1.00 10.00 C ATOM 171 CG TRP A 11 -5.552 2.237 -3.637 1.00 10.00 C ATOM 172 CD1 TRP A 11 -4.916 1.830 -4.760 1.00 10.00 C ATOM 173 CD2 TRP A 11 -4.741 3.307 -3.072 1.00 10.00 C ATOM 174 NE1 TRP A 11 -3.768 2.582 -4.921 1.00 10.00 N ATOM 175 CE2 TRP A 11 -3.616 3.507 -3.907 1.00 10.00 C ATOM 176 CE3 TRP A 11 -4.871 4.116 -1.929 1.00 10.00 C ATOM 177 CZ2 TRP A 11 -2.654 4.476 -3.617 1.00 10.00 C ATOM 178 CZ3 TRP A 11 -3.905 5.091 -1.635 1.00 10.00 C ATOM 179 CH2 TRP A 11 -2.798 5.271 -2.478 1.00 10.00 C ATOM 0 H TRP A 11 -8.693 0.366 -2.342 1.00 10.00 H new ATOM 0 HA TRP A 11 -5.968 -0.337 -3.040 1.00 10.00 H new ATOM 0 HB2 TRP A 11 -7.533 1.514 -3.940 1.00 10.00 H new ATOM 0 HB3 TRP A 11 -7.301 2.364 -2.426 1.00 10.00 H new ATOM 0 HD1 TRP A 11 -5.251 1.045 -5.422 1.00 10.00 H new ATOM 0 HE1 TRP A 11 -3.113 2.468 -5.694 1.00 10.00 H new ATOM 0 HE3 TRP A 11 -5.719 3.986 -1.273 1.00 10.00 H new ATOM 0 HZ2 TRP A 11 -1.804 4.610 -4.269 1.00 10.00 H new ATOM 0 HZ3 TRP A 11 -4.015 5.707 -0.754 1.00 10.00 H new ATOM 0 HH2 TRP A 11 -2.058 6.023 -2.246 1.00 10.00 H new ATOM 190 N ILE A 12 -6.397 1.037 -0.083 1.00 10.00 N ATOM 191 CA ILE A 12 -5.676 1.256 1.211 1.00 10.00 C ATOM 192 C ILE A 12 -5.113 -0.085 1.707 1.00 10.00 C ATOM 193 O ILE A 12 -4.039 -0.144 2.277 1.00 10.00 O ATOM 194 CB ILE A 12 -6.735 1.806 2.180 1.00 10.00 C ATOM 195 CG1 ILE A 12 -7.060 3.258 1.811 1.00 10.00 C ATOM 196 CG2 ILE A 12 -6.202 1.759 3.618 1.00 10.00 C ATOM 197 CD1 ILE A 12 -8.394 3.664 2.446 1.00 10.00 C ATOM 0 H ILE A 12 -7.386 1.285 -0.074 1.00 10.00 H new ATOM 0 HA ILE A 12 -4.837 1.946 1.118 1.00 10.00 H new ATOM 0 HB ILE A 12 -7.635 1.196 2.108 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -6.265 3.918 2.157 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -7.114 3.365 0.728 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -6.958 2.150 4.299 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -5.970 0.728 3.887 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -5.299 2.365 3.691 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -8.623 4.697 2.182 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -9.186 3.011 2.078 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -8.324 3.573 3.530 1.00 10.00 H new ATOM 209 N CYS A 13 -5.829 -1.162 1.474 1.00 10.00 N ATOM 210 CA CYS A 13 -5.337 -2.505 1.908 1.00 10.00 C ATOM 211 C CYS A 13 -4.148 -2.930 1.035 1.00 10.00 C ATOM 212 O CYS A 13 -3.168 -3.460 1.527 1.00 10.00 O ATOM 213 CB CYS A 13 -6.524 -3.451 1.703 1.00 10.00 C ATOM 214 SG CYS A 13 -6.247 -4.978 2.633 1.00 10.00 S ATOM 0 H CYS A 13 -6.733 -1.166 1.002 1.00 10.00 H new ATOM 0 HA CYS A 13 -4.994 -2.509 2.942 1.00 10.00 H new ATOM 0 HB2 CYS A 13 -7.445 -2.973 2.035 1.00 10.00 H new ATOM 0 HB3 CYS A 13 -6.645 -3.675 0.643 1.00 10.00 H new ATOM 0 HG CYS A 13 -7.255 -5.780 2.461 1.00 10.00 H new ATOM 220 N GLU A 14 -4.223 -2.689 -0.255 1.00 10.00 N ATOM 221 CA GLU A 14 -3.092 -3.063 -1.160 1.00 10.00 C ATOM 222 C GLU A 14 -1.868 -2.198 -0.843 1.00 10.00 C ATOM 223 O GLU A 14 -0.747 -2.668 -0.845 1.00 10.00 O ATOM 224 CB GLU A 14 -3.601 -2.787 -2.578 1.00 10.00 C ATOM 225 CG GLU A 14 -3.969 -4.109 -3.266 1.00 10.00 C ATOM 226 CD GLU A 14 -2.719 -4.980 -3.437 1.00 10.00 C ATOM 227 OE1 GLU A 14 -1.800 -4.546 -4.114 1.00 10.00 O ATOM 228 OE2 GLU A 14 -2.703 -6.072 -2.890 1.00 10.00 O ATOM 0 H GLU A 14 -5.019 -2.250 -0.717 1.00 10.00 H new ATOM 0 HA GLU A 14 -2.789 -4.103 -1.041 1.00 10.00 H new ATOM 0 HB2 GLU A 14 -4.471 -2.132 -2.541 1.00 10.00 H new ATOM 0 HB3 GLU A 14 -2.835 -2.268 -3.154 1.00 10.00 H new ATOM 0 HG2 GLU A 14 -4.714 -4.641 -2.674 1.00 10.00 H new ATOM 0 HG3 GLU A 14 -4.418 -3.909 -4.239 1.00 10.00 H new ATOM 235 N VAL A 15 -2.085 -0.940 -0.554 1.00 10.00 N ATOM 236 CA VAL A 15 -0.945 -0.034 -0.212 1.00 10.00 C ATOM 237 C VAL A 15 -0.324 -0.466 1.125 1.00 10.00 C ATOM 238 O VAL A 15 0.864 -0.327 1.337 1.00 10.00 O ATOM 239 CB VAL A 15 -1.556 1.370 -0.103 1.00 10.00 C ATOM 240 CG1 VAL A 15 -0.543 2.335 0.524 1.00 10.00 C ATOM 241 CG2 VAL A 15 -1.925 1.873 -1.502 1.00 10.00 C ATOM 0 H VAL A 15 -3.005 -0.499 -0.540 1.00 10.00 H new ATOM 0 HA VAL A 15 -0.152 -0.063 -0.959 1.00 10.00 H new ATOM 0 HB VAL A 15 -2.447 1.323 0.524 1.00 10.00 H new ATOM 0 HG11 VAL A 15 -0.985 3.329 0.598 1.00 10.00 H new ATOM 0 HG12 VAL A 15 -0.273 1.983 1.520 1.00 10.00 H new ATOM 0 HG13 VAL A 15 0.350 2.380 -0.099 1.00 10.00 H new ATOM 0 HG21 VAL A 15 -2.359 2.870 -1.427 1.00 10.00 H new ATOM 0 HG22 VAL A 15 -1.030 1.913 -2.122 1.00 10.00 H new ATOM 0 HG23 VAL A 15 -2.649 1.195 -1.953 1.00 10.00 H new ATOM 251 N LEU A 16 -1.121 -1.002 2.023 1.00 10.00 N ATOM 252 CA LEU A 16 -0.579 -1.455 3.342 1.00 10.00 C ATOM 253 C LEU A 16 0.455 -2.569 3.127 1.00 10.00 C ATOM 254 O LEU A 16 1.515 -2.565 3.726 1.00 10.00 O ATOM 255 CB LEU A 16 -1.793 -1.981 4.113 1.00 10.00 C ATOM 256 CG LEU A 16 -1.459 -2.065 5.604 1.00 10.00 C ATOM 257 CD1 LEU A 16 -1.679 -0.698 6.256 1.00 10.00 C ATOM 258 CD2 LEU A 16 -2.368 -3.099 6.272 1.00 10.00 C ATOM 0 H LEU A 16 -2.123 -1.144 1.897 1.00 10.00 H new ATOM 0 HA LEU A 16 -0.076 -0.654 3.884 1.00 10.00 H new ATOM 0 HB2 LEU A 16 -2.648 -1.322 3.958 1.00 10.00 H new ATOM 0 HB3 LEU A 16 -2.076 -2.964 3.738 1.00 10.00 H new ATOM 0 HG LEU A 16 -0.417 -2.362 5.726 1.00 10.00 H new ATOM 0 HD11 LEU A 16 -1.441 -0.759 7.318 1.00 10.00 H new ATOM 0 HD12 LEU A 16 -1.033 0.040 5.781 1.00 10.00 H new ATOM 0 HD13 LEU A 16 -2.720 -0.400 6.134 1.00 10.00 H new ATOM 0 HD21 LEU A 16 -2.131 -3.160 7.334 1.00 10.00 H new ATOM 0 HD22 LEU A 16 -3.409 -2.801 6.149 1.00 10.00 H new ATOM 0 HD23 LEU A 16 -2.212 -4.073 5.809 1.00 10.00 H new ATOM 270 N SER A 17 0.160 -3.514 2.265 1.00 10.00 N ATOM 271 CA SER A 17 1.133 -4.617 1.996 1.00 10.00 C ATOM 272 C SER A 17 2.240 -4.113 1.064 1.00 10.00 C ATOM 273 O SER A 17 3.401 -4.428 1.243 1.00 10.00 O ATOM 274 CB SER A 17 0.321 -5.730 1.326 1.00 10.00 C ATOM 275 OG SER A 17 -0.476 -5.180 0.284 1.00 10.00 O ATOM 0 H SER A 17 -0.712 -3.568 1.738 1.00 10.00 H new ATOM 0 HA SER A 17 1.615 -4.975 2.906 1.00 10.00 H new ATOM 0 HB2 SER A 17 0.991 -6.490 0.923 1.00 10.00 H new ATOM 0 HB3 SER A 17 -0.314 -6.223 2.062 1.00 10.00 H new ATOM 0 HG SER A 17 -0.993 -5.894 -0.144 1.00 10.00 H new ATOM 281 N ASP A 18 1.888 -3.320 0.079 1.00 10.00 N ATOM 282 CA ASP A 18 2.919 -2.779 -0.860 1.00 10.00 C ATOM 283 C ASP A 18 3.860 -1.818 -0.123 1.00 10.00 C ATOM 284 O ASP A 18 4.992 -1.642 -0.517 1.00 10.00 O ATOM 285 CB ASP A 18 2.134 -2.035 -1.944 1.00 10.00 C ATOM 286 CG ASP A 18 2.976 -1.956 -3.220 1.00 10.00 C ATOM 287 OD1 ASP A 18 3.090 -2.967 -3.896 1.00 10.00 O ATOM 288 OD2 ASP A 18 3.491 -0.886 -3.500 1.00 10.00 O ATOM 0 H ASP A 18 0.931 -3.025 -0.114 1.00 10.00 H new ATOM 0 HA ASP A 18 3.539 -3.570 -1.282 1.00 10.00 H new ATOM 0 HB2 ASP A 18 1.195 -2.550 -2.146 1.00 10.00 H new ATOM 0 HB3 ASP A 18 1.880 -1.032 -1.601 1.00 10.00 H new ATOM 293 N PHE A 19 3.406 -1.206 0.947 1.00 10.00 N ATOM 294 CA PHE A 19 4.289 -0.268 1.712 1.00 10.00 C ATOM 295 C PHE A 19 5.595 -0.972 2.100 1.00 10.00 C ATOM 296 O PHE A 19 6.652 -0.375 2.107 1.00 10.00 O ATOM 297 CB PHE A 19 3.494 0.100 2.970 1.00 10.00 C ATOM 298 CG PHE A 19 3.467 1.603 3.130 1.00 10.00 C ATOM 299 CD1 PHE A 19 2.527 2.366 2.427 1.00 10.00 C ATOM 300 CD2 PHE A 19 4.383 2.232 3.982 1.00 10.00 C ATOM 301 CE1 PHE A 19 2.504 3.757 2.575 1.00 10.00 C ATOM 302 CE2 PHE A 19 4.360 3.624 4.130 1.00 10.00 C ATOM 303 CZ PHE A 19 3.420 4.386 3.426 1.00 10.00 C ATOM 0 H PHE A 19 2.464 -1.316 1.322 1.00 10.00 H new ATOM 0 HA PHE A 19 4.556 0.612 1.126 1.00 10.00 H new ATOM 0 HB2 PHE A 19 2.477 -0.286 2.896 1.00 10.00 H new ATOM 0 HB3 PHE A 19 3.948 -0.361 3.847 1.00 10.00 H new ATOM 0 HD1 PHE A 19 1.820 1.881 1.771 1.00 10.00 H new ATOM 0 HD2 PHE A 19 5.107 1.643 4.525 1.00 10.00 H new ATOM 0 HE1 PHE A 19 1.779 4.346 2.032 1.00 10.00 H new ATOM 0 HE2 PHE A 19 5.067 4.109 4.787 1.00 10.00 H new ATOM 0 HZ PHE A 19 3.402 5.460 3.540 1.00 10.00 H new ATOM 313 N LYS A 20 5.524 -2.242 2.417 1.00 10.00 N ATOM 314 CA LYS A 20 6.762 -2.992 2.797 1.00 10.00 C ATOM 315 C LYS A 20 7.699 -3.124 1.588 1.00 10.00 C ATOM 316 O LYS A 20 8.908 -3.071 1.726 1.00 10.00 O ATOM 317 CB LYS A 20 6.274 -4.371 3.257 1.00 10.00 C ATOM 318 CG LYS A 20 7.463 -5.201 3.758 1.00 10.00 C ATOM 319 CD LYS A 20 7.882 -4.715 5.150 1.00 10.00 C ATOM 320 CE LYS A 20 9.335 -5.123 5.418 1.00 10.00 C ATOM 321 NZ LYS A 20 9.690 -4.486 6.719 1.00 10.00 N ATOM 0 H LYS A 20 4.664 -2.791 2.429 1.00 10.00 H new ATOM 0 HA LYS A 20 7.326 -2.482 3.578 1.00 10.00 H new ATOM 0 HB2 LYS A 20 5.536 -4.260 4.051 1.00 10.00 H new ATOM 0 HB3 LYS A 20 5.780 -4.886 2.433 1.00 10.00 H new ATOM 0 HG2 LYS A 20 7.192 -6.256 3.797 1.00 10.00 H new ATOM 0 HG3 LYS A 20 8.299 -5.112 3.064 1.00 10.00 H new ATOM 0 HD2 LYS A 20 7.779 -3.632 5.215 1.00 10.00 H new ATOM 0 HD3 LYS A 20 7.227 -5.143 5.909 1.00 10.00 H new ATOM 0 HE2 LYS A 20 9.436 -6.207 5.471 1.00 10.00 H new ATOM 0 HE3 LYS A 20 9.993 -4.780 4.620 1.00 10.00 H new ATOM 0 HZ1 LYS A 20 10.672 -4.723 6.965 1.00 10.00 H new ATOM 0 HZ2 LYS A 20 9.593 -3.454 6.638 1.00 10.00 H new ATOM 0 HZ3 LYS A 20 9.053 -4.836 7.462 1.00 10.00 H new ATOM 335 N THR A 21 7.156 -3.294 0.407 1.00 10.00 N ATOM 336 CA THR A 21 8.020 -3.428 -0.808 1.00 10.00 C ATOM 337 C THR A 21 8.305 -2.053 -1.418 1.00 10.00 C ATOM 338 O THR A 21 9.416 -1.772 -1.820 1.00 10.00 O ATOM 339 CB THR A 21 7.223 -4.301 -1.789 1.00 10.00 C ATOM 340 OG1 THR A 21 5.848 -3.935 -1.756 1.00 10.00 O ATOM 341 CG2 THR A 21 7.368 -5.773 -1.400 1.00 10.00 C ATOM 0 H THR A 21 6.153 -3.346 0.232 1.00 10.00 H new ATOM 0 HA THR A 21 8.986 -3.873 -0.569 1.00 10.00 H new ATOM 0 HB THR A 21 7.611 -4.150 -2.797 1.00 10.00 H new ATOM 0 HG1 THR A 21 5.346 -4.494 -2.385 1.00 10.00 H new ATOM 0 HG21 THR A 21 6.802 -6.391 -2.097 1.00 10.00 H new ATOM 0 HG22 THR A 21 8.420 -6.057 -1.435 1.00 10.00 H new ATOM 0 HG23 THR A 21 6.986 -5.922 -0.390 1.00 10.00 H new ATOM 349 N TRP A 22 7.315 -1.196 -1.486 1.00 10.00 N ATOM 350 CA TRP A 22 7.528 0.167 -2.067 1.00 10.00 C ATOM 351 C TRP A 22 8.630 0.900 -1.298 1.00 10.00 C ATOM 352 O TRP A 22 9.535 1.463 -1.883 1.00 10.00 O ATOM 353 CB TRP A 22 6.192 0.893 -1.895 1.00 10.00 C ATOM 354 CG TRP A 22 6.063 1.958 -2.939 1.00 10.00 C ATOM 355 CD1 TRP A 22 5.400 1.823 -4.111 1.00 10.00 C ATOM 356 CD2 TRP A 22 6.598 3.314 -2.925 1.00 10.00 C ATOM 357 NE1 TRP A 22 5.495 3.009 -4.816 1.00 10.00 N ATOM 358 CE2 TRP A 22 6.223 3.958 -4.127 1.00 10.00 C ATOM 359 CE3 TRP A 22 7.365 4.039 -1.996 1.00 10.00 C ATOM 360 CZ2 TRP A 22 6.595 5.275 -4.397 1.00 10.00 C ATOM 361 CZ3 TRP A 22 7.741 5.365 -2.264 1.00 10.00 C ATOM 362 CH2 TRP A 22 7.357 5.981 -3.462 1.00 10.00 C ATOM 0 H TRP A 22 6.366 -1.382 -1.163 1.00 10.00 H new ATOM 0 HA TRP A 22 7.836 0.122 -3.112 1.00 10.00 H new ATOM 0 HB2 TRP A 22 5.368 0.185 -1.979 1.00 10.00 H new ATOM 0 HB3 TRP A 22 6.132 1.335 -0.900 1.00 10.00 H new ATOM 0 HD1 TRP A 22 4.882 0.935 -4.441 1.00 10.00 H new ATOM 0 HE1 TRP A 22 5.078 3.164 -5.734 1.00 10.00 H new ATOM 0 HE3 TRP A 22 7.667 3.573 -1.070 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 6.296 5.746 -5.322 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 8.329 5.913 -1.543 1.00 10.00 H new ATOM 0 HH2 TRP A 22 7.650 7.001 -3.663 1.00 10.00 H new ATOM 373 N LEU A 23 8.556 0.892 0.010 1.00 10.00 N ATOM 374 CA LEU A 23 9.599 1.587 0.830 1.00 10.00 C ATOM 375 C LEU A 23 10.981 0.969 0.573 1.00 10.00 C ATOM 376 O LEU A 23 11.963 1.674 0.442 1.00 10.00 O ATOM 377 CB LEU A 23 9.181 1.380 2.292 1.00 10.00 C ATOM 378 CG LEU A 23 8.381 2.591 2.794 1.00 10.00 C ATOM 379 CD1 LEU A 23 9.276 3.833 2.805 1.00 10.00 C ATOM 380 CD2 LEU A 23 7.176 2.842 1.879 1.00 10.00 C ATOM 0 H LEU A 23 7.819 0.435 0.546 1.00 10.00 H new ATOM 0 HA LEU A 23 9.672 2.645 0.579 1.00 10.00 H new ATOM 0 HB2 LEU A 23 8.579 0.476 2.381 1.00 10.00 H new ATOM 0 HB3 LEU A 23 10.065 1.237 2.913 1.00 10.00 H new ATOM 0 HG LEU A 23 8.028 2.385 3.805 1.00 10.00 H new ATOM 0 HD11 LEU A 23 8.705 4.690 3.162 1.00 10.00 H new ATOM 0 HD12 LEU A 23 10.126 3.663 3.466 1.00 10.00 H new ATOM 0 HD13 LEU A 23 9.635 4.031 1.795 1.00 10.00 H new ATOM 0 HD21 LEU A 23 6.615 3.703 2.244 1.00 10.00 H new ATOM 0 HD22 LEU A 23 7.524 3.039 0.865 1.00 10.00 H new ATOM 0 HD23 LEU A 23 6.531 1.963 1.877 1.00 10.00 H new ATOM 392 N LYS A 24 11.065 -0.340 0.489 1.00 10.00 N ATOM 393 CA LYS A 24 12.389 -0.991 0.230 1.00 10.00 C ATOM 394 C LYS A 24 12.802 -0.782 -1.232 1.00 10.00 C ATOM 395 O LYS A 24 13.970 -0.636 -1.538 1.00 10.00 O ATOM 396 CB LYS A 24 12.177 -2.479 0.523 1.00 10.00 C ATOM 397 CG LYS A 24 13.531 -3.145 0.777 1.00 10.00 C ATOM 398 CD LYS A 24 13.314 -4.581 1.259 1.00 10.00 C ATOM 399 CE LYS A 24 14.625 -5.133 1.832 1.00 10.00 C ATOM 400 NZ LYS A 24 14.304 -6.522 2.272 1.00 10.00 N ATOM 0 H LYS A 24 10.278 -0.981 0.588 1.00 10.00 H new ATOM 0 HA LYS A 24 13.181 -0.570 0.849 1.00 10.00 H new ATOM 0 HB2 LYS A 24 11.530 -2.601 1.392 1.00 10.00 H new ATOM 0 HB3 LYS A 24 11.675 -2.959 -0.318 1.00 10.00 H new ATOM 0 HG2 LYS A 24 14.126 -3.143 -0.137 1.00 10.00 H new ATOM 0 HG3 LYS A 24 14.091 -2.581 1.523 1.00 10.00 H new ATOM 0 HD2 LYS A 24 12.533 -4.606 2.019 1.00 10.00 H new ATOM 0 HD3 LYS A 24 12.975 -5.206 0.433 1.00 10.00 H new ATOM 0 HE2 LYS A 24 15.415 -5.130 1.081 1.00 10.00 H new ATOM 0 HE3 LYS A 24 14.976 -4.527 2.667 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 15.155 -6.964 2.676 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 13.554 -6.494 2.992 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 13.979 -7.078 1.456 1.00 10.00 H new ATOM 414 N ALA A 25 11.847 -0.761 -2.134 1.00 10.00 N ATOM 415 CA ALA A 25 12.169 -0.554 -3.582 1.00 10.00 C ATOM 416 C ALA A 25 12.868 0.797 -3.796 1.00 10.00 C ATOM 417 O ALA A 25 13.599 0.975 -4.751 1.00 10.00 O ATOM 418 CB ALA A 25 10.815 -0.576 -4.300 1.00 10.00 C ATOM 0 H ALA A 25 10.855 -0.879 -1.927 1.00 10.00 H new ATOM 0 HA ALA A 25 12.847 -1.320 -3.960 1.00 10.00 H new ATOM 0 HB1 ALA A 25 10.968 -0.430 -5.369 1.00 10.00 H new ATOM 0 HB2 ALA A 25 10.329 -1.537 -4.131 1.00 10.00 H new ATOM 0 HB3 ALA A 25 10.184 0.223 -3.911 1.00 10.00 H new ATOM 424 N LYS A 26 12.652 1.747 -2.916 1.00 10.00 N ATOM 425 CA LYS A 26 13.307 3.082 -3.068 1.00 10.00 C ATOM 426 C LYS A 26 14.499 3.215 -2.104 1.00 10.00 C ATOM 427 O LYS A 26 15.437 3.940 -2.374 1.00 10.00 O ATOM 428 CB LYS A 26 12.220 4.107 -2.724 1.00 10.00 C ATOM 429 CG LYS A 26 12.135 5.158 -3.836 1.00 10.00 C ATOM 430 CD LYS A 26 12.889 6.425 -3.411 1.00 10.00 C ATOM 431 CE LYS A 26 13.780 6.912 -4.562 1.00 10.00 C ATOM 432 NZ LYS A 26 12.853 7.564 -5.533 1.00 10.00 N ATOM 0 H LYS A 26 12.049 1.653 -2.099 1.00 10.00 H new ATOM 0 HA LYS A 26 13.700 3.228 -4.074 1.00 10.00 H new ATOM 0 HB2 LYS A 26 11.258 3.607 -2.608 1.00 10.00 H new ATOM 0 HB3 LYS A 26 12.447 4.587 -1.772 1.00 10.00 H new ATOM 0 HG2 LYS A 26 12.562 4.761 -4.757 1.00 10.00 H new ATOM 0 HG3 LYS A 26 11.092 5.397 -4.045 1.00 10.00 H new ATOM 0 HD2 LYS A 26 12.180 7.205 -3.133 1.00 10.00 H new ATOM 0 HD3 LYS A 26 13.497 6.219 -2.530 1.00 10.00 H new ATOM 0 HE2 LYS A 26 14.533 7.615 -4.205 1.00 10.00 H new ATOM 0 HE3 LYS A 26 14.313 6.081 -5.025 1.00 10.00 H new ATOM 0 HZ1 LYS A 26 13.042 7.202 -6.490 1.00 10.00 H new ATOM 0 HZ2 LYS A 26 11.869 7.351 -5.270 1.00 10.00 H new ATOM 0 HZ3 LYS A 26 13.001 8.593 -5.517 1.00 10.00 H new ATOM 446 N LEU A 27 14.472 2.523 -0.988 1.00 10.00 N ATOM 447 CA LEU A 27 15.609 2.615 -0.016 1.00 10.00 C ATOM 448 C LEU A 27 16.836 1.864 -0.552 1.00 10.00 C ATOM 449 O LEU A 27 17.957 2.304 -0.384 1.00 10.00 O ATOM 450 CB LEU A 27 15.100 1.957 1.272 1.00 10.00 C ATOM 451 CG LEU A 27 15.146 2.970 2.420 1.00 10.00 C ATOM 452 CD1 LEU A 27 13.739 3.512 2.681 1.00 10.00 C ATOM 453 CD2 LEU A 27 15.669 2.286 3.687 1.00 10.00 C ATOM 0 H LEU A 27 13.714 1.900 -0.709 1.00 10.00 H new ATOM 0 HA LEU A 27 15.916 3.648 0.150 1.00 10.00 H new ATOM 0 HB2 LEU A 27 14.080 1.599 1.131 1.00 10.00 H new ATOM 0 HB3 LEU A 27 15.712 1.089 1.515 1.00 10.00 H new ATOM 0 HG LEU A 27 15.809 3.792 2.149 1.00 10.00 H new ATOM 0 HD11 LEU A 27 13.772 4.233 3.498 1.00 10.00 H new ATOM 0 HD12 LEU A 27 13.365 4.000 1.781 1.00 10.00 H new ATOM 0 HD13 LEU A 27 13.076 2.689 2.950 1.00 10.00 H new ATOM 0 HD21 LEU A 27 15.701 3.008 4.503 1.00 10.00 H new ATOM 0 HD22 LEU A 27 15.007 1.463 3.956 1.00 10.00 H new ATOM 0 HD23 LEU A 27 16.672 1.900 3.504 1.00 10.00 H new ATOM 465 N MET A 28 16.629 0.735 -1.188 1.00 10.00 N ATOM 466 CA MET A 28 17.782 -0.053 -1.735 1.00 10.00 C ATOM 467 C MET A 28 18.622 0.798 -2.709 1.00 10.00 C ATOM 468 O MET A 28 19.820 0.921 -2.528 1.00 10.00 O ATOM 469 CB MET A 28 17.151 -1.252 -2.454 1.00 10.00 C ATOM 470 CG MET A 28 16.977 -2.407 -1.466 1.00 10.00 C ATOM 471 SD MET A 28 15.863 -3.647 -2.172 1.00 10.00 S ATOM 472 CE MET A 28 17.093 -4.523 -3.171 1.00 10.00 C ATOM 0 H MET A 28 15.710 0.324 -1.353 1.00 10.00 H new ATOM 0 HA MET A 28 18.464 -0.370 -0.946 1.00 10.00 H new ATOM 0 HB2 MET A 28 16.185 -0.970 -2.874 1.00 10.00 H new ATOM 0 HB3 MET A 28 17.782 -1.564 -3.286 1.00 10.00 H new ATOM 0 HG2 MET A 28 17.944 -2.857 -1.243 1.00 10.00 H new ATOM 0 HG3 MET A 28 16.574 -2.035 -0.524 1.00 10.00 H new ATOM 0 HE1 MET A 28 16.612 -5.344 -3.702 1.00 10.00 H new ATOM 0 HE2 MET A 28 17.534 -3.834 -3.891 1.00 10.00 H new ATOM 0 HE3 MET A 28 17.874 -4.919 -2.522 1.00 10.00 H new ATOM 482 N PRO A 29 17.974 1.363 -3.711 1.00 10.00 N ATOM 483 CA PRO A 29 18.699 2.208 -4.701 1.00 10.00 C ATOM 484 C PRO A 29 19.099 3.558 -4.086 1.00 10.00 C ATOM 485 O PRO A 29 18.986 3.770 -2.893 1.00 10.00 O ATOM 486 CB PRO A 29 17.679 2.406 -5.820 1.00 10.00 C ATOM 487 CG PRO A 29 16.346 2.226 -5.168 1.00 10.00 C ATOM 488 CD PRO A 29 16.540 1.270 -4.020 1.00 10.00 C ATOM 0 HA PRO A 29 19.626 1.750 -5.045 1.00 10.00 H new ATOM 0 HB2 PRO A 29 17.770 3.397 -6.265 1.00 10.00 H new ATOM 0 HB3 PRO A 29 17.827 1.682 -6.621 1.00 10.00 H new ATOM 0 HG2 PRO A 29 15.959 3.181 -4.813 1.00 10.00 H new ATOM 0 HG3 PRO A 29 15.620 1.832 -5.879 1.00 10.00 H new ATOM 0 HD2 PRO A 29 15.929 1.549 -3.162 1.00 10.00 H new ATOM 0 HD3 PRO A 29 16.257 0.254 -4.296 1.00 10.00 H new ATOM 496 N GLN A 30 19.563 4.473 -4.901 1.00 10.00 N ATOM 497 CA GLN A 30 19.974 5.815 -4.379 1.00 10.00 C ATOM 498 C GLN A 30 18.788 6.791 -4.412 1.00 10.00 C ATOM 499 O GLN A 30 17.660 6.405 -4.663 1.00 10.00 O ATOM 500 CB GLN A 30 21.099 6.286 -5.313 1.00 10.00 C ATOM 501 CG GLN A 30 20.547 6.538 -6.721 1.00 10.00 C ATOM 502 CD GLN A 30 21.430 7.558 -7.441 1.00 10.00 C ATOM 503 OE1 GLN A 30 22.421 7.199 -8.043 1.00 10.00 O ATOM 504 NE2 GLN A 30 21.111 8.824 -7.406 1.00 10.00 N ATOM 0 H GLN A 30 19.675 4.349 -5.907 1.00 10.00 H new ATOM 0 HA GLN A 30 20.307 5.767 -3.342 1.00 10.00 H new ATOM 0 HB2 GLN A 30 21.548 7.199 -4.922 1.00 10.00 H new ATOM 0 HB3 GLN A 30 21.887 5.534 -5.353 1.00 10.00 H new ATOM 0 HG2 GLN A 30 20.518 5.605 -7.284 1.00 10.00 H new ATOM 0 HG3 GLN A 30 19.523 6.906 -6.661 1.00 10.00 H new ATOM 0 HE21 GLN A 30 20.278 9.126 -6.900 1.00 10.00 H new ATOM 0 HE22 GLN A 30 21.694 9.510 -7.884 1.00 10.00 H new ATOM 513 N LEU A 31 19.038 8.054 -4.163 1.00 10.00 N ATOM 514 CA LEU A 31 17.931 9.059 -4.183 1.00 10.00 C ATOM 515 C LEU A 31 17.723 9.585 -5.609 1.00 10.00 C ATOM 516 O LEU A 31 18.681 10.073 -6.190 1.00 10.00 O ATOM 517 CB LEU A 31 18.390 10.186 -3.251 1.00 10.00 C ATOM 518 CG LEU A 31 18.062 9.822 -1.800 1.00 10.00 C ATOM 519 CD1 LEU A 31 19.235 9.057 -1.182 1.00 10.00 C ATOM 520 CD2 LEU A 31 17.811 11.101 -1.000 1.00 10.00 C ATOM 521 OXT LEU A 31 16.609 9.485 -6.096 1.00 10.00 O ATOM 0 H LEU A 31 19.961 8.431 -3.947 1.00 10.00 H new ATOM 0 HA LEU A 31 16.981 8.633 -3.859 1.00 10.00 H new ATOM 0 HB2 LEU A 31 19.462 10.349 -3.362 1.00 10.00 H new ATOM 0 HB3 LEU A 31 17.896 11.119 -3.522 1.00 10.00 H new ATOM 0 HG LEU A 31 17.171 9.195 -1.778 1.00 10.00 H new ATOM 0 HD11 LEU A 31 18.998 8.800 -0.150 1.00 10.00 H new ATOM 0 HD12 LEU A 31 19.415 8.145 -1.751 1.00 10.00 H new ATOM 0 HD13 LEU A 31 20.129 9.681 -1.205 1.00 10.00 H new ATOM 0 HD21 LEU A 31 17.577 10.844 0.033 1.00 10.00 H new ATOM 0 HD22 LEU A 31 18.703 11.727 -1.025 1.00 10.00 H new ATOM 0 HD23 LEU A 31 16.974 11.645 -1.437 1.00 10.00 H new TER 533 LEU A 31