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+ -120:sc= 0.111 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 52:sc= 0.24 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 163:sc= -0.0237 (180deg=-0.557) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -23.841 -0.747 -13.041 1.00 10.00 N ATOM 2 CA SER A 1 -22.485 -0.454 -12.484 1.00 10.00 C ATOM 3 C SER A 1 -22.562 0.679 -11.451 1.00 10.00 C ATOM 4 O SER A 1 -23.605 1.272 -11.244 1.00 10.00 O ATOM 5 CB SER A 1 -21.641 -0.027 -13.685 1.00 10.00 C ATOM 6 OG SER A 1 -21.402 -1.157 -14.514 1.00 10.00 O ATOM 0 H1 SER A 1 -24.093 -1.735 -12.839 1.00 10.00 H new ATOM 0 H2 SER A 1 -24.540 -0.114 -12.603 1.00 10.00 H new ATOM 0 H3 SER A 1 -23.834 -0.595 -14.070 1.00 10.00 H new ATOM 0 HA SER A 1 -22.059 -1.318 -11.974 1.00 10.00 H new ATOM 0 HB2 SER A 1 -22.157 0.750 -14.249 1.00 10.00 H new ATOM 0 HB3 SER A 1 -20.696 0.398 -13.348 1.00 10.00 H new ATOM 0 HG SER A 1 -20.862 -0.888 -15.287 1.00 10.00 H new ATOM 14 N GLY A 2 -21.462 0.979 -10.804 1.00 10.00 N ATOM 15 CA GLY A 2 -21.458 2.069 -9.782 1.00 10.00 C ATOM 16 C GLY A 2 -21.177 1.475 -8.400 1.00 10.00 C ATOM 17 O GLY A 2 -21.941 1.658 -7.471 1.00 10.00 O ATOM 0 H GLY A 2 -20.565 0.514 -10.941 1.00 10.00 H new ATOM 0 HA2 GLY A 2 -20.700 2.812 -10.031 1.00 10.00 H new ATOM 0 HA3 GLY A 2 -22.419 2.583 -9.780 1.00 10.00 H new ATOM 21 N SER A 3 -20.084 0.765 -8.258 1.00 10.00 N ATOM 22 CA SER A 3 -19.745 0.156 -6.936 1.00 10.00 C ATOM 23 C SER A 3 -18.578 0.913 -6.291 1.00 10.00 C ATOM 24 O SER A 3 -17.425 0.559 -6.455 1.00 10.00 O ATOM 25 CB SER A 3 -19.352 -1.294 -7.249 1.00 10.00 C ATOM 26 OG SER A 3 -18.440 -1.318 -8.343 1.00 10.00 O ATOM 0 H SER A 3 -19.412 0.581 -9.003 1.00 10.00 H new ATOM 0 HA SER A 3 -20.577 0.202 -6.233 1.00 10.00 H new ATOM 0 HB2 SER A 3 -18.896 -1.755 -6.373 1.00 10.00 H new ATOM 0 HB3 SER A 3 -20.240 -1.878 -7.490 1.00 10.00 H new ATOM 0 HG SER A 3 -17.699 -0.703 -8.164 1.00 10.00 H new ATOM 32 N TRP A 4 -18.872 1.955 -5.555 1.00 10.00 N ATOM 33 CA TRP A 4 -17.786 2.739 -4.895 1.00 10.00 C ATOM 34 C TRP A 4 -17.538 2.208 -3.475 1.00 10.00 C ATOM 35 O TRP A 4 -17.911 1.096 -3.156 1.00 10.00 O ATOM 36 CB TRP A 4 -18.304 4.183 -4.861 1.00 10.00 C ATOM 37 CG TRP A 4 -17.206 5.117 -5.263 1.00 10.00 C ATOM 38 CD1 TRP A 4 -16.516 5.051 -6.425 1.00 10.00 C ATOM 39 CD2 TRP A 4 -16.662 6.251 -4.528 1.00 10.00 C ATOM 40 NE1 TRP A 4 -15.581 6.070 -6.449 1.00 10.00 N ATOM 41 CE2 TRP A 4 -15.632 6.838 -5.302 1.00 10.00 C ATOM 42 CE3 TRP A 4 -16.958 6.823 -3.277 1.00 10.00 C ATOM 43 CZ2 TRP A 4 -14.922 7.950 -4.851 1.00 10.00 C ATOM 44 CZ3 TRP A 4 -16.244 7.942 -2.820 1.00 10.00 C ATOM 45 CH2 TRP A 4 -15.229 8.505 -3.606 1.00 10.00 C ATOM 0 H TRP A 4 -19.818 2.296 -5.383 1.00 10.00 H new ATOM 0 HA TRP A 4 -16.837 2.665 -5.425 1.00 10.00 H new ATOM 0 HB2 TRP A 4 -19.153 4.292 -5.535 1.00 10.00 H new ATOM 0 HB3 TRP A 4 -18.658 4.430 -3.860 1.00 10.00 H new ATOM 0 HD1 TRP A 4 -16.670 4.322 -7.206 1.00 10.00 H new ATOM 0 HE1 TRP A 4 -14.933 6.234 -7.219 1.00 10.00 H new ATOM 0 HE3 TRP A 4 -17.740 6.398 -2.664 1.00 10.00 H new ATOM 0 HZ2 TRP A 4 -14.140 8.379 -5.460 1.00 10.00 H new ATOM 0 HZ3 TRP A 4 -16.478 8.372 -1.857 1.00 10.00 H new ATOM 0 HH2 TRP A 4 -14.685 9.367 -3.250 1.00 10.00 H new ATOM 56 N LEU A 5 -16.905 3.000 -2.632 1.00 10.00 N ATOM 57 CA LEU A 5 -16.605 2.579 -1.218 1.00 10.00 C ATOM 58 C LEU A 5 -15.577 1.437 -1.191 1.00 10.00 C ATOM 59 O LEU A 5 -14.486 1.601 -0.680 1.00 10.00 O ATOM 60 CB LEU A 5 -17.941 2.133 -0.600 1.00 10.00 C ATOM 61 CG LEU A 5 -18.961 3.275 -0.684 1.00 10.00 C ATOM 62 CD1 LEU A 5 -20.363 2.694 -0.874 1.00 10.00 C ATOM 63 CD2 LEU A 5 -18.922 4.092 0.610 1.00 10.00 C ATOM 0 H LEU A 5 -16.578 3.937 -2.869 1.00 10.00 H new ATOM 0 HA LEU A 5 -16.170 3.401 -0.651 1.00 10.00 H new ATOM 0 HB2 LEU A 5 -18.320 1.256 -1.125 1.00 10.00 H new ATOM 0 HB3 LEU A 5 -17.792 1.843 0.440 1.00 10.00 H new ATOM 0 HG LEU A 5 -18.715 3.918 -1.529 1.00 10.00 H new ATOM 0 HD11 LEU A 5 -21.088 3.506 -0.934 1.00 10.00 H new ATOM 0 HD12 LEU A 5 -20.394 2.111 -1.795 1.00 10.00 H new ATOM 0 HD13 LEU A 5 -20.608 2.050 -0.029 1.00 10.00 H new ATOM 0 HD21 LEU A 5 -19.647 4.904 0.550 1.00 10.00 H new ATOM 0 HD22 LEU A 5 -19.167 3.448 1.454 1.00 10.00 H new ATOM 0 HD23 LEU A 5 -17.924 4.507 0.748 1.00 10.00 H new ATOM 75 N ARG A 6 -15.907 0.288 -1.738 1.00 10.00 N ATOM 76 CA ARG A 6 -14.935 -0.851 -1.742 1.00 10.00 C ATOM 77 C ARG A 6 -13.672 -0.465 -2.521 1.00 10.00 C ATOM 78 O ARG A 6 -12.572 -0.799 -2.129 1.00 10.00 O ATOM 79 CB ARG A 6 -15.658 -2.012 -2.430 1.00 10.00 C ATOM 80 CG ARG A 6 -14.860 -3.304 -2.221 1.00 10.00 C ATOM 81 CD ARG A 6 -15.822 -4.478 -2.009 1.00 10.00 C ATOM 82 NE ARG A 6 -16.109 -5.004 -3.375 1.00 10.00 N ATOM 83 CZ ARG A 6 -16.987 -5.958 -3.535 1.00 10.00 C ATOM 84 NH1 ARG A 6 -18.264 -5.676 -3.527 1.00 10.00 N ATOM 85 NH2 ARG A 6 -16.588 -7.193 -3.702 1.00 10.00 N ATOM 0 H ARG A 6 -16.805 0.092 -2.180 1.00 10.00 H new ATOM 0 HA ARG A 6 -14.621 -1.119 -0.733 1.00 10.00 H new ATOM 0 HB2 ARG A 6 -16.663 -2.122 -2.022 1.00 10.00 H new ATOM 0 HB3 ARG A 6 -15.767 -1.807 -3.495 1.00 10.00 H new ATOM 0 HG2 ARG A 6 -14.224 -3.494 -3.086 1.00 10.00 H new ATOM 0 HG3 ARG A 6 -14.202 -3.201 -1.358 1.00 10.00 H new ATOM 0 HD2 ARG A 6 -15.373 -5.245 -1.378 1.00 10.00 H new ATOM 0 HD3 ARG A 6 -16.736 -4.153 -1.513 1.00 10.00 H new ATOM 0 HE ARG A 6 -15.620 -4.619 -4.183 1.00 10.00 H new ATOM 0 HH11 ARG A 6 -18.573 -4.713 -3.396 1.00 10.00 H new ATOM 0 HH12 ARG A 6 -18.951 -6.419 -3.652 1.00 10.00 H new ATOM 0 HH21 ARG A 6 -15.592 -7.411 -3.707 1.00 10.00 H new ATOM 0 HH22 ARG A 6 -17.273 -7.938 -3.827 1.00 10.00 H new ATOM 99 N ASP A 7 -13.826 0.248 -3.616 1.00 10.00 N ATOM 100 CA ASP A 7 -12.634 0.673 -4.415 1.00 10.00 C ATOM 101 C ASP A 7 -11.675 1.489 -3.535 1.00 10.00 C ATOM 102 O ASP A 7 -10.471 1.426 -3.692 1.00 10.00 O ATOM 103 CB ASP A 7 -13.196 1.541 -5.548 1.00 10.00 C ATOM 104 CG ASP A 7 -12.128 1.735 -6.630 1.00 10.00 C ATOM 105 OD1 ASP A 7 -12.027 0.881 -7.496 1.00 10.00 O ATOM 106 OD2 ASP A 7 -11.432 2.736 -6.575 1.00 10.00 O ATOM 0 H ASP A 7 -14.726 0.552 -3.988 1.00 10.00 H new ATOM 0 HA ASP A 7 -12.071 -0.177 -4.800 1.00 10.00 H new ATOM 0 HB2 ASP A 7 -14.080 1.069 -5.977 1.00 10.00 H new ATOM 0 HB3 ASP A 7 -13.510 2.508 -5.156 1.00 10.00 H new ATOM 111 N ILE A 8 -12.206 2.246 -2.602 1.00 10.00 N ATOM 112 CA ILE A 8 -11.333 3.059 -1.698 1.00 10.00 C ATOM 113 C ILE A 8 -10.695 2.153 -0.636 1.00 10.00 C ATOM 114 O ILE A 8 -9.500 2.196 -0.411 1.00 10.00 O ATOM 115 CB ILE A 8 -12.268 4.083 -1.039 1.00 10.00 C ATOM 116 CG1 ILE A 8 -12.870 5.000 -2.111 1.00 10.00 C ATOM 117 CG2 ILE A 8 -11.481 4.929 -0.033 1.00 10.00 C ATOM 118 CD1 ILE A 8 -14.287 5.405 -1.700 1.00 10.00 C ATOM 0 H ILE A 8 -13.207 2.335 -2.429 1.00 10.00 H new ATOM 0 HA ILE A 8 -10.522 3.546 -2.238 1.00 10.00 H new ATOM 0 HB ILE A 8 -13.068 3.553 -0.522 1.00 10.00 H new ATOM 0 HG12 ILE A 8 -12.249 5.887 -2.236 1.00 10.00 H new ATOM 0 HG13 ILE A 8 -12.891 4.487 -3.073 1.00 10.00 H new ATOM 0 HG21 ILE A 8 -12.148 5.655 0.433 1.00 10.00 H new ATOM 0 HG22 ILE A 8 -11.057 4.281 0.734 1.00 10.00 H new ATOM 0 HG23 ILE A 8 -10.677 5.454 -0.549 1.00 10.00 H new ATOM 0 HD11 ILE A 8 -14.715 6.057 -2.462 1.00 10.00 H new ATOM 0 HD12 ILE A 8 -14.905 4.513 -1.597 1.00 10.00 H new ATOM 0 HD13 ILE A 8 -14.252 5.934 -0.748 1.00 10.00 H new ATOM 130 N TRP A 9 -11.486 1.331 0.015 1.00 10.00 N ATOM 131 CA TRP A 9 -10.935 0.418 1.065 1.00 10.00 C ATOM 132 C TRP A 9 -9.950 -0.582 0.444 1.00 10.00 C ATOM 133 O TRP A 9 -8.896 -0.843 0.993 1.00 10.00 O ATOM 134 CB TRP A 9 -12.151 -0.311 1.645 1.00 10.00 C ATOM 135 CG TRP A 9 -11.733 -1.101 2.844 1.00 10.00 C ATOM 136 CD1 TRP A 9 -11.965 -2.422 3.024 1.00 10.00 C ATOM 137 CD2 TRP A 9 -11.014 -0.647 4.029 1.00 10.00 C ATOM 138 NE1 TRP A 9 -11.433 -2.807 4.242 1.00 10.00 N ATOM 139 CE2 TRP A 9 -10.837 -1.750 4.898 1.00 10.00 C ATOM 140 CE3 TRP A 9 -10.503 0.601 4.429 1.00 10.00 C ATOM 141 CZ2 TRP A 9 -10.178 -1.619 6.121 1.00 10.00 C ATOM 142 CZ3 TRP A 9 -9.838 0.736 5.659 1.00 10.00 C ATOM 143 CH2 TRP A 9 -9.676 -0.371 6.502 1.00 10.00 C ATOM 0 H TRP A 9 -12.492 1.254 -0.137 1.00 10.00 H new ATOM 0 HA TRP A 9 -10.386 0.964 1.833 1.00 10.00 H new ATOM 0 HB2 TRP A 9 -12.922 0.408 1.921 1.00 10.00 H new ATOM 0 HB3 TRP A 9 -12.585 -0.971 0.894 1.00 10.00 H new ATOM 0 HD1 TRP A 9 -12.481 -3.070 2.331 1.00 10.00 H new ATOM 0 HE1 TRP A 9 -11.476 -3.757 4.610 1.00 10.00 H new ATOM 0 HE3 TRP A 9 -10.623 1.461 3.786 1.00 10.00 H new ATOM 0 HZ2 TRP A 9 -10.057 -2.475 6.768 1.00 10.00 H new ATOM 0 HZ3 TRP A 9 -9.449 1.699 5.956 1.00 10.00 H new ATOM 0 HH2 TRP A 9 -9.163 -0.260 7.446 1.00 10.00 H new ATOM 154 N ASP A 10 -10.284 -1.136 -0.698 1.00 10.00 N ATOM 155 CA ASP A 10 -9.364 -2.112 -1.361 1.00 10.00 C ATOM 156 C ASP A 10 -8.021 -1.438 -1.666 1.00 10.00 C ATOM 157 O ASP A 10 -6.969 -2.007 -1.438 1.00 10.00 O ATOM 158 CB ASP A 10 -10.075 -2.521 -2.655 1.00 10.00 C ATOM 159 CG ASP A 10 -9.347 -3.710 -3.284 1.00 10.00 C ATOM 160 OD1 ASP A 10 -9.577 -4.823 -2.838 1.00 10.00 O ATOM 161 OD2 ASP A 10 -8.576 -3.488 -4.202 1.00 10.00 O ATOM 0 H ASP A 10 -11.154 -0.954 -1.198 1.00 10.00 H new ATOM 0 HA ASP A 10 -9.151 -2.976 -0.732 1.00 10.00 H new ATOM 0 HB2 ASP A 10 -11.111 -2.785 -2.445 1.00 10.00 H new ATOM 0 HB3 ASP A 10 -10.095 -1.683 -3.352 1.00 10.00 H new ATOM 166 N TRP A 11 -8.049 -0.224 -2.166 1.00 10.00 N ATOM 167 CA TRP A 11 -6.772 0.494 -2.468 1.00 10.00 C ATOM 168 C TRP A 11 -6.026 0.800 -1.162 1.00 10.00 C ATOM 169 O TRP A 11 -4.814 0.715 -1.100 1.00 10.00 O ATOM 170 CB TRP A 11 -7.191 1.789 -3.171 1.00 10.00 C ATOM 171 CG TRP A 11 -5.971 2.508 -3.653 1.00 10.00 C ATOM 172 CD1 TRP A 11 -5.305 2.227 -4.795 1.00 10.00 C ATOM 173 CD2 TRP A 11 -5.262 3.616 -3.027 1.00 10.00 C ATOM 174 NE1 TRP A 11 -4.231 3.090 -4.910 1.00 10.00 N ATOM 175 CE2 TRP A 11 -4.163 3.967 -3.846 1.00 10.00 C ATOM 176 CE3 TRP A 11 -5.465 4.345 -1.841 1.00 10.00 C ATOM 177 CZ2 TRP A 11 -3.295 5.003 -3.500 1.00 10.00 C ATOM 178 CZ3 TRP A 11 -4.594 5.387 -1.490 1.00 10.00 C ATOM 179 CH2 TRP A 11 -3.511 5.716 -2.317 1.00 10.00 C ATOM 0 H TRP A 11 -8.900 0.298 -2.377 1.00 10.00 H new ATOM 0 HA TRP A 11 -6.100 -0.098 -3.090 1.00 10.00 H new ATOM 0 HB2 TRP A 11 -7.850 1.564 -4.010 1.00 10.00 H new ATOM 0 HB3 TRP A 11 -7.753 2.423 -2.485 1.00 10.00 H new ATOM 0 HD1 TRP A 11 -5.569 1.455 -5.502 1.00 10.00 H new ATOM 0 HE1 TRP A 11 -3.570 3.080 -5.686 1.00 10.00 H new ATOM 0 HE3 TRP A 11 -6.297 4.101 -1.197 1.00 10.00 H new ATOM 0 HZ2 TRP A 11 -2.462 5.252 -4.141 1.00 10.00 H new ATOM 0 HZ3 TRP A 11 -4.759 5.939 -0.577 1.00 10.00 H new ATOM 0 HH2 TRP A 11 -2.844 6.519 -2.041 1.00 10.00 H new ATOM 190 N ILE A 12 -6.744 1.140 -0.117 1.00 10.00 N ATOM 191 CA ILE A 12 -6.077 1.432 1.192 1.00 10.00 C ATOM 192 C ILE A 12 -5.306 0.186 1.662 1.00 10.00 C ATOM 193 O ILE A 12 -4.227 0.286 2.218 1.00 10.00 O ATOM 194 CB ILE A 12 -7.224 1.782 2.159 1.00 10.00 C ATOM 195 CG1 ILE A 12 -7.655 3.236 1.931 1.00 10.00 C ATOM 196 CG2 ILE A 12 -6.760 1.615 3.610 1.00 10.00 C ATOM 197 CD1 ILE A 12 -8.998 3.488 2.619 1.00 10.00 C ATOM 0 H ILE A 12 -7.760 1.228 -0.114 1.00 10.00 H new ATOM 0 HA ILE A 12 -5.355 2.247 1.130 1.00 10.00 H new ATOM 0 HB ILE A 12 -8.063 1.112 1.972 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -6.900 3.916 2.326 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -7.739 3.438 0.863 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -7.579 1.865 4.285 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -6.454 0.582 3.778 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -5.917 2.279 3.801 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -9.302 4.522 2.456 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -9.751 2.818 2.204 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -8.899 3.304 3.689 1.00 10.00 H new ATOM 209 N CYS A 13 -5.850 -0.985 1.422 1.00 10.00 N ATOM 210 CA CYS A 13 -5.153 -2.243 1.831 1.00 10.00 C ATOM 211 C CYS A 13 -3.964 -2.510 0.895 1.00 10.00 C ATOM 212 O CYS A 13 -2.915 -2.955 1.327 1.00 10.00 O ATOM 213 CB CYS A 13 -6.208 -3.346 1.696 1.00 10.00 C ATOM 214 SG CYS A 13 -5.573 -4.883 2.412 1.00 10.00 S ATOM 0 H CYS A 13 -6.749 -1.122 0.959 1.00 10.00 H new ATOM 0 HA CYS A 13 -4.755 -2.188 2.844 1.00 10.00 H new ATOM 0 HB2 CYS A 13 -7.126 -3.049 2.202 1.00 10.00 H new ATOM 0 HB3 CYS A 13 -6.458 -3.498 0.646 1.00 10.00 H new ATOM 0 HG CYS A 13 -6.470 -5.817 2.299 1.00 10.00 H new ATOM 220 N GLU A 14 -4.116 -2.231 -0.382 1.00 10.00 N ATOM 221 CA GLU A 14 -2.991 -2.456 -1.344 1.00 10.00 C ATOM 222 C GLU A 14 -1.804 -1.562 -0.971 1.00 10.00 C ATOM 223 O GLU A 14 -0.668 -1.996 -0.951 1.00 10.00 O ATOM 224 CB GLU A 14 -3.547 -2.077 -2.721 1.00 10.00 C ATOM 225 CG GLU A 14 -3.362 -3.250 -3.691 1.00 10.00 C ATOM 226 CD GLU A 14 -1.898 -3.330 -4.134 1.00 10.00 C ATOM 227 OE1 GLU A 14 -1.127 -3.980 -3.448 1.00 10.00 O ATOM 228 OE2 GLU A 14 -1.572 -2.739 -5.152 1.00 10.00 O ATOM 0 H GLU A 14 -4.970 -1.858 -0.796 1.00 10.00 H new ATOM 0 HA GLU A 14 -2.635 -3.486 -1.331 1.00 10.00 H new ATOM 0 HB2 GLU A 14 -4.604 -1.822 -2.640 1.00 10.00 H new ATOM 0 HB3 GLU A 14 -3.034 -1.193 -3.101 1.00 10.00 H new ATOM 0 HG2 GLU A 14 -3.657 -4.182 -3.210 1.00 10.00 H new ATOM 0 HG3 GLU A 14 -4.008 -3.121 -4.559 1.00 10.00 H new ATOM 235 N VAL A 15 -2.070 -0.320 -0.653 1.00 10.00 N ATOM 236 CA VAL A 15 -0.971 0.616 -0.254 1.00 10.00 C ATOM 237 C VAL A 15 -0.313 0.113 1.039 1.00 10.00 C ATOM 238 O VAL A 15 0.881 0.247 1.229 1.00 10.00 O ATOM 239 CB VAL A 15 -1.648 1.976 -0.032 1.00 10.00 C ATOM 240 CG1 VAL A 15 -0.615 2.996 0.458 1.00 10.00 C ATOM 241 CG2 VAL A 15 -2.256 2.470 -1.349 1.00 10.00 C ATOM 0 H VAL A 15 -3.004 0.089 -0.652 1.00 10.00 H new ATOM 0 HA VAL A 15 -0.188 0.686 -1.009 1.00 10.00 H new ATOM 0 HB VAL A 15 -2.433 1.864 0.716 1.00 10.00 H new ATOM 0 HG11 VAL A 15 -1.101 3.959 0.614 1.00 10.00 H new ATOM 0 HG12 VAL A 15 -0.181 2.652 1.397 1.00 10.00 H new ATOM 0 HG13 VAL A 15 0.173 3.103 -0.288 1.00 10.00 H new ATOM 0 HG21 VAL A 15 -2.736 3.435 -1.189 1.00 10.00 H new ATOM 0 HG22 VAL A 15 -1.469 2.575 -2.096 1.00 10.00 H new ATOM 0 HG23 VAL A 15 -2.996 1.751 -1.700 1.00 10.00 H new ATOM 251 N LEU A 16 -1.086 -0.484 1.920 1.00 10.00 N ATOM 252 CA LEU A 16 -0.511 -1.022 3.193 1.00 10.00 C ATOM 253 C LEU A 16 0.524 -2.103 2.857 1.00 10.00 C ATOM 254 O LEU A 16 1.607 -2.132 3.411 1.00 10.00 O ATOM 255 CB LEU A 16 -1.705 -1.623 3.951 1.00 10.00 C ATOM 256 CG LEU A 16 -1.458 -1.581 5.466 1.00 10.00 C ATOM 257 CD1 LEU A 16 -0.273 -2.481 5.827 1.00 10.00 C ATOM 258 CD2 LEU A 16 -1.160 -0.143 5.905 1.00 10.00 C ATOM 0 H LEU A 16 -2.091 -0.621 1.810 1.00 10.00 H new ATOM 0 HA LEU A 16 -0.008 -0.260 3.789 1.00 10.00 H new ATOM 0 HB2 LEU A 16 -2.612 -1.070 3.709 1.00 10.00 H new ATOM 0 HB3 LEU A 16 -1.865 -2.653 3.631 1.00 10.00 H new ATOM 0 HG LEU A 16 -2.351 -1.938 5.979 1.00 10.00 H new ATOM 0 HD11 LEU A 16 -0.104 -2.446 6.903 1.00 10.00 H new ATOM 0 HD12 LEU A 16 -0.490 -3.506 5.527 1.00 10.00 H new ATOM 0 HD13 LEU A 16 0.620 -2.133 5.308 1.00 10.00 H new ATOM 0 HD21 LEU A 16 -0.986 -0.120 6.981 1.00 10.00 H new ATOM 0 HD22 LEU A 16 -0.273 0.220 5.386 1.00 10.00 H new ATOM 0 HD23 LEU A 16 -2.009 0.495 5.661 1.00 10.00 H new ATOM 270 N SER A 17 0.203 -2.971 1.928 1.00 10.00 N ATOM 271 CA SER A 17 1.168 -4.036 1.521 1.00 10.00 C ATOM 272 C SER A 17 2.333 -3.392 0.755 1.00 10.00 C ATOM 273 O SER A 17 3.480 -3.771 0.911 1.00 10.00 O ATOM 274 CB SER A 17 0.366 -4.971 0.610 1.00 10.00 C ATOM 275 OG SER A 17 1.245 -5.891 -0.026 1.00 10.00 O ATOM 0 H SER A 17 -0.689 -2.986 1.434 1.00 10.00 H new ATOM 0 HA SER A 17 1.592 -4.575 2.368 1.00 10.00 H new ATOM 0 HB2 SER A 17 -0.381 -5.510 1.193 1.00 10.00 H new ATOM 0 HB3 SER A 17 -0.173 -4.391 -0.139 1.00 10.00 H new ATOM 0 HG SER A 17 0.729 -6.488 -0.607 1.00 10.00 H new ATOM 281 N ASP A 18 2.035 -2.408 -0.064 1.00 10.00 N ATOM 282 CA ASP A 18 3.104 -1.714 -0.843 1.00 10.00 C ATOM 283 C ASP A 18 4.020 -0.913 0.093 1.00 10.00 C ATOM 284 O ASP A 18 5.189 -0.746 -0.184 1.00 10.00 O ATOM 285 CB ASP A 18 2.359 -0.776 -1.798 1.00 10.00 C ATOM 286 CG ASP A 18 3.367 0.051 -2.604 1.00 10.00 C ATOM 287 OD1 ASP A 18 4.226 -0.546 -3.236 1.00 10.00 O ATOM 288 OD2 ASP A 18 3.267 1.266 -2.574 1.00 10.00 O ATOM 0 H ASP A 18 1.091 -2.057 -0.224 1.00 10.00 H new ATOM 0 HA ASP A 18 3.741 -2.419 -1.378 1.00 10.00 H new ATOM 0 HB2 ASP A 18 1.728 -1.355 -2.472 1.00 10.00 H new ATOM 0 HB3 ASP A 18 1.701 -0.115 -1.234 1.00 10.00 H new ATOM 293 N PHE A 19 3.503 -0.421 1.196 1.00 10.00 N ATOM 294 CA PHE A 19 4.352 0.362 2.152 1.00 10.00 C ATOM 295 C PHE A 19 5.636 -0.410 2.485 1.00 10.00 C ATOM 296 O PHE A 19 6.684 0.173 2.693 1.00 10.00 O ATOM 297 CB PHE A 19 3.490 0.536 3.406 1.00 10.00 C ATOM 298 CG PHE A 19 3.242 2.005 3.653 1.00 10.00 C ATOM 299 CD1 PHE A 19 2.436 2.737 2.772 1.00 10.00 C ATOM 300 CD2 PHE A 19 3.820 2.637 4.760 1.00 10.00 C ATOM 301 CE1 PHE A 19 2.207 4.099 2.999 1.00 10.00 C ATOM 302 CE2 PHE A 19 3.592 3.999 4.988 1.00 10.00 C ATOM 303 CZ PHE A 19 2.785 4.730 4.107 1.00 10.00 C ATOM 0 H PHE A 19 2.528 -0.528 1.475 1.00 10.00 H new ATOM 0 HA PHE A 19 4.659 1.320 1.734 1.00 10.00 H new ATOM 0 HB2 PHE A 19 2.542 0.013 3.283 1.00 10.00 H new ATOM 0 HB3 PHE A 19 3.989 0.092 4.267 1.00 10.00 H new ATOM 0 HD1 PHE A 19 1.991 2.250 1.917 1.00 10.00 H new ATOM 0 HD2 PHE A 19 4.443 2.073 5.439 1.00 10.00 H new ATOM 0 HE1 PHE A 19 1.585 4.663 2.320 1.00 10.00 H new ATOM 0 HE2 PHE A 19 4.038 4.486 5.843 1.00 10.00 H new ATOM 0 HZ PHE A 19 2.609 5.781 4.283 1.00 10.00 H new ATOM 313 N LYS A 20 5.561 -1.718 2.522 1.00 10.00 N ATOM 314 CA LYS A 20 6.774 -2.537 2.822 1.00 10.00 C ATOM 315 C LYS A 20 7.581 -2.772 1.534 1.00 10.00 C ATOM 316 O LYS A 20 8.797 -2.759 1.547 1.00 10.00 O ATOM 317 CB LYS A 20 6.232 -3.861 3.374 1.00 10.00 C ATOM 318 CG LYS A 20 7.395 -4.806 3.695 1.00 10.00 C ATOM 319 CD LYS A 20 7.358 -6.007 2.744 1.00 10.00 C ATOM 320 CE LYS A 20 6.921 -7.261 3.511 1.00 10.00 C ATOM 321 NZ LYS A 20 8.189 -7.905 3.965 1.00 10.00 N ATOM 0 H LYS A 20 4.709 -2.254 2.357 1.00 10.00 H new ATOM 0 HA LYS A 20 7.443 -2.048 3.530 1.00 10.00 H new ATOM 0 HB2 LYS A 20 5.643 -3.677 4.272 1.00 10.00 H new ATOM 0 HB3 LYS A 20 5.566 -4.324 2.645 1.00 10.00 H new ATOM 0 HG2 LYS A 20 8.344 -4.279 3.595 1.00 10.00 H new ATOM 0 HG3 LYS A 20 7.327 -5.145 4.729 1.00 10.00 H new ATOM 0 HD2 LYS A 20 6.668 -5.812 1.923 1.00 10.00 H new ATOM 0 HD3 LYS A 20 8.342 -6.164 2.302 1.00 10.00 H new ATOM 0 HE2 LYS A 20 6.285 -7.003 4.358 1.00 10.00 H new ATOM 0 HE3 LYS A 20 6.345 -7.932 2.873 1.00 10.00 H new ATOM 0 HZ1 LYS A 20 7.968 -8.770 4.498 1.00 10.00 H new ATOM 0 HZ2 LYS A 20 8.771 -8.147 3.138 1.00 10.00 H new ATOM 0 HZ3 LYS A 20 8.713 -7.247 4.576 1.00 10.00 H new ATOM 335 N THR A 21 6.913 -2.990 0.427 1.00 10.00 N ATOM 336 CA THR A 21 7.636 -3.232 -0.863 1.00 10.00 C ATOM 337 C THR A 21 8.228 -1.926 -1.408 1.00 10.00 C ATOM 338 O THR A 21 9.346 -1.904 -1.879 1.00 10.00 O ATOM 339 CB THR A 21 6.579 -3.786 -1.827 1.00 10.00 C ATOM 340 OG1 THR A 21 5.877 -4.857 -1.204 1.00 10.00 O ATOM 341 CG2 THR A 21 7.258 -4.291 -3.104 1.00 10.00 C ATOM 0 H THR A 21 5.895 -3.011 0.360 1.00 10.00 H new ATOM 0 HA THR A 21 8.469 -3.923 -0.733 1.00 10.00 H new ATOM 0 HB THR A 21 5.876 -2.993 -2.082 1.00 10.00 H new ATOM 0 HG1 THR A 21 5.201 -5.208 -1.821 1.00 10.00 H new ATOM 0 HG21 THR A 21 6.504 -4.684 -3.786 1.00 10.00 H new ATOM 0 HG22 THR A 21 7.788 -3.468 -3.584 1.00 10.00 H new ATOM 0 HG23 THR A 21 7.966 -5.081 -2.852 1.00 10.00 H new ATOM 349 N TRP A 22 7.489 -0.844 -1.351 1.00 10.00 N ATOM 350 CA TRP A 22 8.013 0.462 -1.866 1.00 10.00 C ATOM 351 C TRP A 22 9.336 0.807 -1.175 1.00 10.00 C ATOM 352 O TRP A 22 10.318 1.127 -1.819 1.00 10.00 O ATOM 353 CB TRP A 22 6.942 1.497 -1.508 1.00 10.00 C ATOM 354 CG TRP A 22 6.968 2.608 -2.508 1.00 10.00 C ATOM 355 CD1 TRP A 22 6.253 2.639 -3.656 1.00 10.00 C ATOM 356 CD2 TRP A 22 7.735 3.846 -2.469 1.00 10.00 C ATOM 357 NE1 TRP A 22 6.534 3.817 -4.325 1.00 10.00 N ATOM 358 CE2 TRP A 22 7.441 4.595 -3.633 1.00 10.00 C ATOM 359 CE3 TRP A 22 8.647 4.387 -1.545 1.00 10.00 C ATOM 360 CZ2 TRP A 22 8.032 5.836 -3.872 1.00 10.00 C ATOM 361 CZ3 TRP A 22 9.243 5.635 -1.782 1.00 10.00 C ATOM 362 CH2 TRP A 22 8.936 6.359 -2.944 1.00 10.00 C ATOM 0 H TRP A 22 6.544 -0.808 -0.969 1.00 10.00 H new ATOM 0 HA TRP A 22 8.206 0.431 -2.938 1.00 10.00 H new ATOM 0 HB2 TRP A 22 5.958 1.028 -1.495 1.00 10.00 H new ATOM 0 HB3 TRP A 22 7.121 1.890 -0.507 1.00 10.00 H new ATOM 0 HD1 TRP A 22 5.574 1.870 -3.995 1.00 10.00 H new ATOM 0 HE1 TRP A 22 6.121 4.079 -5.220 1.00 10.00 H new ATOM 0 HE3 TRP A 22 8.890 3.838 -0.647 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 7.792 6.389 -4.768 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 9.942 6.041 -1.066 1.00 10.00 H new ATOM 0 HH2 TRP A 22 9.398 7.319 -3.121 1.00 10.00 H new ATOM 373 N LEU A 23 9.363 0.737 0.133 1.00 10.00 N ATOM 374 CA LEU A 23 10.619 1.051 0.885 1.00 10.00 C ATOM 375 C LEU A 23 11.661 -0.056 0.669 1.00 10.00 C ATOM 376 O LEU A 23 12.850 0.197 0.669 1.00 10.00 O ATOM 377 CB LEU A 23 10.199 1.126 2.358 1.00 10.00 C ATOM 378 CG LEU A 23 9.856 2.577 2.720 1.00 10.00 C ATOM 379 CD1 LEU A 23 8.459 2.920 2.198 1.00 10.00 C ATOM 380 CD2 LEU A 23 9.884 2.746 4.242 1.00 10.00 C ATOM 0 H LEU A 23 8.567 0.475 0.715 1.00 10.00 H new ATOM 0 HA LEU A 23 11.077 1.982 0.550 1.00 10.00 H new ATOM 0 HB2 LEU A 23 9.337 0.483 2.534 1.00 10.00 H new ATOM 0 HB3 LEU A 23 11.004 0.762 2.996 1.00 10.00 H new ATOM 0 HG LEU A 23 10.588 3.244 2.265 1.00 10.00 H new ATOM 0 HD11 LEU A 23 8.217 3.951 2.456 1.00 10.00 H new ATOM 0 HD12 LEU A 23 8.436 2.802 1.115 1.00 10.00 H new ATOM 0 HD13 LEU A 23 7.727 2.251 2.651 1.00 10.00 H new ATOM 0 HD21 LEU A 23 9.640 3.777 4.498 1.00 10.00 H new ATOM 0 HD22 LEU A 23 9.153 2.077 4.696 1.00 10.00 H new ATOM 0 HD23 LEU A 23 10.879 2.505 4.617 1.00 10.00 H new ATOM 392 N LYS A 24 11.220 -1.279 0.474 1.00 10.00 N ATOM 393 CA LYS A 24 12.180 -2.404 0.243 1.00 10.00 C ATOM 394 C LYS A 24 12.784 -2.294 -1.163 1.00 10.00 C ATOM 395 O LYS A 24 13.972 -2.473 -1.353 1.00 10.00 O ATOM 396 CB LYS A 24 11.336 -3.675 0.376 1.00 10.00 C ATOM 397 CG LYS A 24 12.214 -4.913 0.184 1.00 10.00 C ATOM 398 CD LYS A 24 11.324 -6.132 -0.067 1.00 10.00 C ATOM 399 CE LYS A 24 12.187 -7.311 -0.521 1.00 10.00 C ATOM 400 NZ LYS A 24 11.245 -8.464 -0.633 1.00 10.00 N ATOM 0 H LYS A 24 10.235 -1.545 0.465 1.00 10.00 H new ATOM 0 HA LYS A 24 13.012 -2.397 0.947 1.00 10.00 H new ATOM 0 HB2 LYS A 24 10.862 -3.705 1.357 1.00 10.00 H new ATOM 0 HB3 LYS A 24 10.536 -3.669 -0.365 1.00 10.00 H new ATOM 0 HG2 LYS A 24 12.892 -4.765 -0.656 1.00 10.00 H new ATOM 0 HG3 LYS A 24 12.832 -5.075 1.067 1.00 10.00 H new ATOM 0 HD2 LYS A 24 10.782 -6.393 0.842 1.00 10.00 H new ATOM 0 HD3 LYS A 24 10.578 -5.900 -0.827 1.00 10.00 H new ATOM 0 HE2 LYS A 24 12.669 -7.102 -1.476 1.00 10.00 H new ATOM 0 HE3 LYS A 24 12.980 -7.518 0.197 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 11.766 -9.310 -0.941 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 10.806 -8.645 0.292 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 10.505 -8.241 -1.329 1.00 10.00 H new ATOM 414 N ALA A 25 11.971 -1.986 -2.147 1.00 10.00 N ATOM 415 CA ALA A 25 12.485 -1.846 -3.546 1.00 10.00 C ATOM 416 C ALA A 25 13.453 -0.658 -3.647 1.00 10.00 C ATOM 417 O ALA A 25 14.331 -0.641 -4.486 1.00 10.00 O ATOM 418 CB ALA A 25 11.246 -1.600 -4.407 1.00 10.00 C ATOM 0 H ALA A 25 10.970 -1.825 -2.039 1.00 10.00 H new ATOM 0 HA ALA A 25 13.035 -2.730 -3.867 1.00 10.00 H new ATOM 0 HB1 ALA A 25 11.544 -1.487 -5.449 1.00 10.00 H new ATOM 0 HB2 ALA A 25 10.565 -2.446 -4.314 1.00 10.00 H new ATOM 0 HB3 ALA A 25 10.745 -0.692 -4.072 1.00 10.00 H new ATOM 424 N LYS A 26 13.301 0.331 -2.791 1.00 10.00 N ATOM 425 CA LYS A 26 14.213 1.519 -2.825 1.00 10.00 C ATOM 426 C LYS A 26 15.680 1.068 -2.739 1.00 10.00 C ATOM 427 O LYS A 26 16.535 1.580 -3.436 1.00 10.00 O ATOM 428 CB LYS A 26 13.828 2.346 -1.596 1.00 10.00 C ATOM 429 CG LYS A 26 14.621 3.657 -1.582 1.00 10.00 C ATOM 430 CD LYS A 26 14.046 4.592 -0.515 1.00 10.00 C ATOM 431 CE LYS A 26 14.335 4.024 0.882 1.00 10.00 C ATOM 432 NZ LYS A 26 14.966 5.144 1.638 1.00 10.00 N ATOM 0 H LYS A 26 12.581 0.364 -2.069 1.00 10.00 H new ATOM 0 HA LYS A 26 14.115 2.091 -3.748 1.00 10.00 H new ATOM 0 HB2 LYS A 26 12.759 2.557 -1.609 1.00 10.00 H new ATOM 0 HB3 LYS A 26 14.030 1.779 -0.687 1.00 10.00 H new ATOM 0 HG2 LYS A 26 15.672 3.456 -1.376 1.00 10.00 H new ATOM 0 HG3 LYS A 26 14.574 4.133 -2.561 1.00 10.00 H new ATOM 0 HD2 LYS A 26 14.486 5.585 -0.613 1.00 10.00 H new ATOM 0 HD3 LYS A 26 12.971 4.704 -0.657 1.00 10.00 H new ATOM 0 HE2 LYS A 26 13.419 3.688 1.368 1.00 10.00 H new ATOM 0 HE3 LYS A 26 15.000 3.162 0.827 1.00 10.00 H new ATOM 0 HZ1 LYS A 26 15.191 4.828 2.603 1.00 10.00 H new ATOM 0 HZ2 LYS A 26 15.840 5.438 1.157 1.00 10.00 H new ATOM 0 HZ3 LYS A 26 14.308 5.948 1.682 1.00 10.00 H new ATOM 446 N LEU A 27 15.970 0.106 -1.895 1.00 10.00 N ATOM 447 CA LEU A 27 17.376 -0.390 -1.770 1.00 10.00 C ATOM 448 C LEU A 27 17.549 -1.697 -2.562 1.00 10.00 C ATOM 449 O LEU A 27 18.295 -2.575 -2.170 1.00 10.00 O ATOM 450 CB LEU A 27 17.583 -0.633 -0.270 1.00 10.00 C ATOM 451 CG LEU A 27 18.820 0.131 0.213 1.00 10.00 C ATOM 452 CD1 LEU A 27 18.856 0.132 1.743 1.00 10.00 C ATOM 453 CD2 LEU A 27 20.085 -0.547 -0.324 1.00 10.00 C ATOM 0 H LEU A 27 15.293 -0.356 -1.288 1.00 10.00 H new ATOM 0 HA LEU A 27 18.102 0.319 -2.168 1.00 10.00 H new ATOM 0 HB2 LEU A 27 16.703 -0.308 0.285 1.00 10.00 H new ATOM 0 HB3 LEU A 27 17.705 -1.699 -0.078 1.00 10.00 H new ATOM 0 HG LEU A 27 18.775 1.157 -0.151 1.00 10.00 H new ATOM 0 HD11 LEU A 27 19.736 0.676 2.086 1.00 10.00 H new ATOM 0 HD12 LEU A 27 17.958 0.616 2.128 1.00 10.00 H new ATOM 0 HD13 LEU A 27 18.899 -0.895 2.107 1.00 10.00 H new ATOM 0 HD21 LEU A 27 20.964 -0.002 0.021 1.00 10.00 H new ATOM 0 HD22 LEU A 27 20.129 -1.574 0.039 1.00 10.00 H new ATOM 0 HD23 LEU A 27 20.063 -0.548 -1.414 1.00 10.00 H new ATOM 465 N MET A 28 16.866 -1.827 -3.676 1.00 10.00 N ATOM 466 CA MET A 28 16.984 -3.069 -4.497 1.00 10.00 C ATOM 467 C MET A 28 17.192 -2.705 -5.976 1.00 10.00 C ATOM 468 O MET A 28 16.246 -2.646 -6.741 1.00 10.00 O ATOM 469 CB MET A 28 15.654 -3.805 -4.294 1.00 10.00 C ATOM 470 CG MET A 28 15.903 -5.117 -3.548 1.00 10.00 C ATOM 471 SD MET A 28 14.340 -5.736 -2.873 1.00 10.00 S ATOM 472 CE MET A 28 13.528 -6.091 -4.452 1.00 10.00 C ATOM 0 H MET A 28 16.231 -1.122 -4.050 1.00 10.00 H new ATOM 0 HA MET A 28 17.834 -3.686 -4.204 1.00 10.00 H new ATOM 0 HB2 MET A 28 14.963 -3.179 -3.729 1.00 10.00 H new ATOM 0 HB3 MET A 28 15.187 -4.006 -5.258 1.00 10.00 H new ATOM 0 HG2 MET A 28 16.337 -5.855 -4.223 1.00 10.00 H new ATOM 0 HG3 MET A 28 16.621 -4.959 -2.744 1.00 10.00 H new ATOM 0 HE1 MET A 28 12.680 -6.754 -4.284 1.00 10.00 H new ATOM 0 HE2 MET A 28 13.178 -5.160 -4.898 1.00 10.00 H new ATOM 0 HE3 MET A 28 14.237 -6.572 -5.126 1.00 10.00 H new ATOM 482 N PRO A 29 18.435 -2.469 -6.332 1.00 10.00 N ATOM 483 CA PRO A 29 18.773 -2.107 -7.734 1.00 10.00 C ATOM 484 C PRO A 29 18.670 -3.326 -8.660 1.00 10.00 C ATOM 485 O PRO A 29 18.347 -4.420 -8.237 1.00 10.00 O ATOM 486 CB PRO A 29 20.215 -1.619 -7.642 1.00 10.00 C ATOM 487 CG PRO A 29 20.776 -2.279 -6.422 1.00 10.00 C ATOM 488 CD PRO A 29 19.627 -2.514 -5.473 1.00 10.00 C ATOM 0 HA PRO A 29 18.096 -1.361 -8.150 1.00 10.00 H new ATOM 0 HB2 PRO A 29 20.781 -1.892 -8.533 1.00 10.00 H new ATOM 0 HB3 PRO A 29 20.259 -0.533 -7.557 1.00 10.00 H new ATOM 0 HG2 PRO A 29 21.259 -3.221 -6.682 1.00 10.00 H new ATOM 0 HG3 PRO A 29 21.535 -1.649 -5.958 1.00 10.00 H new ATOM 0 HD2 PRO A 29 19.718 -3.476 -4.968 1.00 10.00 H new ATOM 0 HD3 PRO A 29 19.588 -1.749 -4.697 1.00 10.00 H new ATOM 496 N GLN A 30 18.946 -3.136 -9.926 1.00 10.00 N ATOM 497 CA GLN A 30 18.871 -4.272 -10.896 1.00 10.00 C ATOM 498 C GLN A 30 19.953 -4.123 -11.975 1.00 10.00 C ATOM 499 O GLN A 30 20.720 -5.035 -12.220 1.00 10.00 O ATOM 500 CB GLN A 30 17.471 -4.179 -11.515 1.00 10.00 C ATOM 501 CG GLN A 30 16.644 -5.398 -11.096 1.00 10.00 C ATOM 502 CD GLN A 30 15.194 -5.219 -11.556 1.00 10.00 C ATOM 503 OE1 GLN A 30 14.348 -4.806 -10.789 1.00 10.00 O ATOM 504 NE2 GLN A 30 14.869 -5.516 -12.785 1.00 10.00 N ATOM 0 H GLN A 30 19.221 -2.241 -10.331 1.00 10.00 H new ATOM 0 HA GLN A 30 19.037 -5.236 -10.415 1.00 10.00 H new ATOM 0 HB2 GLN A 30 16.978 -3.263 -11.189 1.00 10.00 H new ATOM 0 HB3 GLN A 30 17.545 -4.133 -12.602 1.00 10.00 H new ATOM 0 HG2 GLN A 30 17.065 -6.303 -11.533 1.00 10.00 H new ATOM 0 HG3 GLN A 30 16.680 -5.520 -10.013 1.00 10.00 H new ATOM 0 HE21 GLN A 30 15.578 -5.863 -13.430 1.00 10.00 H new ATOM 0 HE22 GLN A 30 13.906 -5.401 -13.100 1.00 10.00 H new ATOM 513 N LEU A 31 20.019 -2.983 -12.619 1.00 10.00 N ATOM 514 CA LEU A 31 21.050 -2.771 -13.681 1.00 10.00 C ATOM 515 C LEU A 31 22.046 -1.689 -13.245 1.00 10.00 C ATOM 516 O LEU A 31 21.602 -0.649 -12.783 1.00 10.00 O ATOM 517 CB LEU A 31 20.266 -2.318 -14.920 1.00 10.00 C ATOM 518 CG LEU A 31 20.294 -3.412 -15.995 1.00 10.00 C ATOM 519 CD1 LEU A 31 21.743 -3.728 -16.379 1.00 10.00 C ATOM 520 CD2 LEU A 31 19.618 -4.678 -15.461 1.00 10.00 C ATOM 521 OXT LEU A 31 23.236 -1.921 -13.383 1.00 10.00 O ATOM 0 H LEU A 31 19.401 -2.188 -12.454 1.00 10.00 H new ATOM 0 HA LEU A 31 21.629 -3.673 -13.878 1.00 10.00 H new ATOM 0 HB2 LEU A 31 19.235 -2.095 -14.645 1.00 10.00 H new ATOM 0 HB3 LEU A 31 20.697 -1.398 -15.316 1.00 10.00 H new ATOM 0 HG LEU A 31 19.758 -3.059 -16.876 1.00 10.00 H new ATOM 0 HD11 LEU A 31 21.756 -4.506 -17.143 1.00 10.00 H new ATOM 0 HD12 LEU A 31 22.221 -2.829 -16.769 1.00 10.00 H new ATOM 0 HD13 LEU A 31 22.285 -4.075 -15.499 1.00 10.00 H new ATOM 0 HD21 LEU A 31 19.640 -5.453 -16.227 1.00 10.00 H new ATOM 0 HD22 LEU A 31 20.149 -5.028 -14.576 1.00 10.00 H new ATOM 0 HD23 LEU A 31 18.584 -4.455 -15.199 1.00 10.00 H new TER 533 LEU A 31