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+ -155:sc= 0.209 (180deg=0.0415) USER MOD Single : A 1 SER OG : rot 180:sc= 0.124 USER MOD Single : A 3 SER OG : rot 43:sc= 0.728 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 27:sc= 0.442 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -159:sc= 0.12 (180deg=0.0214) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -22.739 7.958 -9.619 1.00 10.00 N ATOM 2 CA SER A 1 -22.141 7.551 -8.310 1.00 10.00 C ATOM 3 C SER A 1 -22.773 6.242 -7.815 1.00 10.00 C ATOM 4 O SER A 1 -23.830 5.843 -8.269 1.00 10.00 O ATOM 5 CB SER A 1 -22.458 8.700 -7.346 1.00 10.00 C ATOM 6 OG SER A 1 -23.839 9.035 -7.441 1.00 10.00 O ATOM 0 H1 SER A 1 -22.064 8.554 -10.139 1.00 10.00 H new ATOM 0 H2 SER A 1 -22.955 7.110 -10.181 1.00 10.00 H new ATOM 0 H3 SER A 1 -23.614 8.493 -9.449 1.00 10.00 H new ATOM 0 HA SER A 1 -21.069 7.373 -8.390 1.00 10.00 H new ATOM 0 HB2 SER A 1 -22.213 8.409 -6.324 1.00 10.00 H new ATOM 0 HB3 SER A 1 -21.845 9.569 -7.586 1.00 10.00 H new ATOM 0 HG SER A 1 -24.041 9.768 -6.823 1.00 10.00 H new ATOM 14 N GLY A 2 -22.131 5.572 -6.888 1.00 10.00 N ATOM 15 CA GLY A 2 -22.690 4.289 -6.360 1.00 10.00 C ATOM 16 C GLY A 2 -21.914 3.862 -5.108 1.00 10.00 C ATOM 17 O GLY A 2 -21.541 4.683 -4.291 1.00 10.00 O ATOM 0 H GLY A 2 -21.244 5.859 -6.475 1.00 10.00 H new ATOM 0 HA2 GLY A 2 -23.746 4.413 -6.120 1.00 10.00 H new ATOM 0 HA3 GLY A 2 -22.625 3.512 -7.122 1.00 10.00 H new ATOM 21 N SER A 3 -21.668 2.584 -4.956 1.00 10.00 N ATOM 22 CA SER A 3 -20.914 2.100 -3.758 1.00 10.00 C ATOM 23 C SER A 3 -19.405 2.265 -3.980 1.00 10.00 C ATOM 24 O SER A 3 -18.756 1.415 -4.565 1.00 10.00 O ATOM 25 CB SER A 3 -21.284 0.619 -3.617 1.00 10.00 C ATOM 26 OG SER A 3 -21.014 -0.060 -4.839 1.00 10.00 O ATOM 0 H SER A 3 -21.956 1.856 -5.609 1.00 10.00 H new ATOM 0 HA SER A 3 -21.165 2.663 -2.859 1.00 10.00 H new ATOM 0 HB2 SER A 3 -20.714 0.167 -2.805 1.00 10.00 H new ATOM 0 HB3 SER A 3 -22.339 0.520 -3.360 1.00 10.00 H new ATOM 0 HG SER A 3 -20.150 0.236 -5.194 1.00 10.00 H new ATOM 32 N TRP A 4 -18.843 3.352 -3.519 1.00 10.00 N ATOM 33 CA TRP A 4 -17.374 3.577 -3.701 1.00 10.00 C ATOM 34 C TRP A 4 -16.621 3.416 -2.369 1.00 10.00 C ATOM 35 O TRP A 4 -15.423 3.621 -2.306 1.00 10.00 O ATOM 36 CB TRP A 4 -17.255 5.013 -4.223 1.00 10.00 C ATOM 37 CG TRP A 4 -16.323 5.046 -5.393 1.00 10.00 C ATOM 38 CD1 TRP A 4 -16.530 4.415 -6.574 1.00 10.00 C ATOM 39 CD2 TRP A 4 -15.045 5.734 -5.517 1.00 10.00 C ATOM 40 NE1 TRP A 4 -15.461 4.671 -7.412 1.00 10.00 N ATOM 41 CE2 TRP A 4 -14.519 5.479 -6.807 1.00 10.00 C ATOM 42 CE3 TRP A 4 -14.297 6.545 -4.646 1.00 10.00 C ATOM 43 CZ2 TRP A 4 -13.295 6.010 -7.216 1.00 10.00 C ATOM 44 CZ3 TRP A 4 -13.065 7.081 -5.054 1.00 10.00 C ATOM 45 CH2 TRP A 4 -12.566 6.814 -6.336 1.00 10.00 C ATOM 0 H TRP A 4 -19.336 4.095 -3.024 1.00 10.00 H new ATOM 0 HA TRP A 4 -16.935 2.853 -4.387 1.00 10.00 H new ATOM 0 HB2 TRP A 4 -18.236 5.387 -4.516 1.00 10.00 H new ATOM 0 HB3 TRP A 4 -16.887 5.668 -3.434 1.00 10.00 H new ATOM 0 HD1 TRP A 4 -17.390 3.810 -6.820 1.00 10.00 H new ATOM 0 HE1 TRP A 4 -15.378 4.307 -8.361 1.00 10.00 H new ATOM 0 HE3 TRP A 4 -14.673 6.757 -3.656 1.00 10.00 H new ATOM 0 HZ2 TRP A 4 -12.914 5.801 -8.205 1.00 10.00 H new ATOM 0 HZ3 TRP A 4 -12.499 7.702 -4.376 1.00 10.00 H new ATOM 0 HH2 TRP A 4 -11.618 7.230 -6.644 1.00 10.00 H new ATOM 56 N LEU A 5 -17.304 3.040 -1.308 1.00 10.00 N ATOM 57 CA LEU A 5 -16.613 2.858 0.008 1.00 10.00 C ATOM 58 C LEU A 5 -15.630 1.685 -0.083 1.00 10.00 C ATOM 59 O LEU A 5 -14.469 1.815 0.259 1.00 10.00 O ATOM 60 CB LEU A 5 -17.729 2.560 1.018 1.00 10.00 C ATOM 61 CG LEU A 5 -17.159 2.583 2.440 1.00 10.00 C ATOM 62 CD1 LEU A 5 -17.989 3.529 3.311 1.00 10.00 C ATOM 63 CD2 LEU A 5 -17.207 1.173 3.034 1.00 10.00 C ATOM 0 H LEU A 5 -18.307 2.853 -1.300 1.00 10.00 H new ATOM 0 HA LEU A 5 -16.039 3.737 0.302 1.00 10.00 H new ATOM 0 HB2 LEU A 5 -18.525 3.298 0.923 1.00 10.00 H new ATOM 0 HB3 LEU A 5 -18.171 1.586 0.809 1.00 10.00 H new ATOM 0 HG LEU A 5 -16.126 2.930 2.408 1.00 10.00 H new ATOM 0 HD11 LEU A 5 -17.582 3.544 4.322 1.00 10.00 H new ATOM 0 HD12 LEU A 5 -17.955 4.534 2.891 1.00 10.00 H new ATOM 0 HD13 LEU A 5 -19.022 3.183 3.341 1.00 10.00 H new ATOM 0 HD21 LEU A 5 -16.801 1.190 4.046 1.00 10.00 H new ATOM 0 HD22 LEU A 5 -18.240 0.825 3.063 1.00 10.00 H new ATOM 0 HD23 LEU A 5 -16.614 0.498 2.417 1.00 10.00 H new ATOM 75 N ARG A 6 -16.083 0.546 -0.558 1.00 10.00 N ATOM 76 CA ARG A 6 -15.168 -0.630 -0.693 1.00 10.00 C ATOM 77 C ARG A 6 -14.064 -0.310 -1.706 1.00 10.00 C ATOM 78 O ARG A 6 -12.934 -0.724 -1.549 1.00 10.00 O ATOM 79 CB ARG A 6 -16.050 -1.779 -1.198 1.00 10.00 C ATOM 80 CG ARG A 6 -15.350 -3.119 -0.944 1.00 10.00 C ATOM 81 CD ARG A 6 -14.374 -3.419 -2.089 1.00 10.00 C ATOM 82 NE ARG A 6 -14.226 -4.904 -2.100 1.00 10.00 N ATOM 83 CZ ARG A 6 -13.408 -5.488 -1.266 1.00 10.00 C ATOM 84 NH1 ARG A 6 -12.116 -5.405 -1.450 1.00 10.00 N ATOM 85 NH2 ARG A 6 -13.884 -6.157 -0.248 1.00 10.00 N ATOM 0 H ARG A 6 -17.045 0.383 -0.857 1.00 10.00 H new ATOM 0 HA ARG A 6 -14.681 -0.887 0.248 1.00 10.00 H new ATOM 0 HB2 ARG A 6 -17.014 -1.760 -0.691 1.00 10.00 H new ATOM 0 HB3 ARG A 6 -16.248 -1.657 -2.263 1.00 10.00 H new ATOM 0 HG2 ARG A 6 -14.814 -3.086 0.004 1.00 10.00 H new ATOM 0 HG3 ARG A 6 -16.089 -3.917 -0.865 1.00 10.00 H new ATOM 0 HD2 ARG A 6 -14.760 -3.055 -3.041 1.00 10.00 H new ATOM 0 HD3 ARG A 6 -13.414 -2.929 -1.926 1.00 10.00 H new ATOM 0 HE ARG A 6 -14.765 -5.464 -2.760 1.00 10.00 H new ATOM 0 HH11 ARG A 6 -11.747 -4.884 -2.245 1.00 10.00 H new ATOM 0 HH12 ARG A 6 -11.478 -5.861 -0.798 1.00 10.00 H new ATOM 0 HH21 ARG A 6 -14.892 -6.222 -0.107 1.00 10.00 H new ATOM 0 HH22 ARG A 6 -13.247 -6.614 0.405 1.00 10.00 H new ATOM 99 N ASP A 7 -14.386 0.438 -2.739 1.00 10.00 N ATOM 100 CA ASP A 7 -13.358 0.807 -3.763 1.00 10.00 C ATOM 101 C ASP A 7 -12.182 1.525 -3.086 1.00 10.00 C ATOM 102 O ASP A 7 -11.034 1.169 -3.276 1.00 10.00 O ATOM 103 CB ASP A 7 -14.087 1.748 -4.738 1.00 10.00 C ATOM 104 CG ASP A 7 -13.070 2.577 -5.532 1.00 10.00 C ATOM 105 OD1 ASP A 7 -12.684 3.630 -5.048 1.00 10.00 O ATOM 106 OD2 ASP A 7 -12.700 2.150 -6.611 1.00 10.00 O ATOM 0 H ASP A 7 -15.320 0.808 -2.915 1.00 10.00 H new ATOM 0 HA ASP A 7 -12.946 -0.062 -4.276 1.00 10.00 H new ATOM 0 HB2 ASP A 7 -14.707 1.167 -5.421 1.00 10.00 H new ATOM 0 HB3 ASP A 7 -14.755 2.409 -4.186 1.00 10.00 H new ATOM 111 N ILE A 8 -12.470 2.531 -2.294 1.00 10.00 N ATOM 112 CA ILE A 8 -11.381 3.283 -1.594 1.00 10.00 C ATOM 113 C ILE A 8 -10.639 2.354 -0.624 1.00 10.00 C ATOM 114 O ILE A 8 -9.427 2.250 -0.661 1.00 10.00 O ATOM 115 CB ILE A 8 -12.098 4.410 -0.833 1.00 10.00 C ATOM 116 CG1 ILE A 8 -12.588 5.469 -1.828 1.00 10.00 C ATOM 117 CG2 ILE A 8 -11.132 5.063 0.162 1.00 10.00 C ATOM 118 CD1 ILE A 8 -13.615 6.380 -1.149 1.00 10.00 C ATOM 0 H ILE A 8 -13.415 2.864 -2.102 1.00 10.00 H new ATOM 0 HA ILE A 8 -10.636 3.676 -2.286 1.00 10.00 H new ATOM 0 HB ILE A 8 -12.947 3.991 -0.293 1.00 10.00 H new ATOM 0 HG12 ILE A 8 -11.746 6.060 -2.189 1.00 10.00 H new ATOM 0 HG13 ILE A 8 -13.035 4.986 -2.697 1.00 10.00 H new ATOM 0 HG21 ILE A 8 -11.646 5.861 0.698 1.00 10.00 H new ATOM 0 HG22 ILE A 8 -10.782 4.315 0.873 1.00 10.00 H new ATOM 0 HG23 ILE A 8 -10.280 5.478 -0.377 1.00 10.00 H new ATOM 0 HD11 ILE A 8 -13.961 7.131 -1.859 1.00 10.00 H new ATOM 0 HD12 ILE A 8 -14.462 5.784 -0.810 1.00 10.00 H new ATOM 0 HD13 ILE A 8 -13.154 6.874 -0.294 1.00 10.00 H new ATOM 130 N TRP A 9 -11.360 1.677 0.240 1.00 10.00 N ATOM 131 CA TRP A 9 -10.705 0.750 1.218 1.00 10.00 C ATOM 132 C TRP A 9 -9.880 -0.317 0.483 1.00 10.00 C ATOM 133 O TRP A 9 -8.791 -0.661 0.904 1.00 10.00 O ATOM 134 CB TRP A 9 -11.859 0.102 1.992 1.00 10.00 C ATOM 135 CG TRP A 9 -11.318 -0.586 3.206 1.00 10.00 C ATOM 136 CD1 TRP A 9 -11.578 -1.868 3.552 1.00 10.00 C ATOM 137 CD2 TRP A 9 -10.433 -0.055 4.236 1.00 10.00 C ATOM 138 NE1 TRP A 9 -10.908 -2.158 4.726 1.00 10.00 N ATOM 139 CE2 TRP A 9 -10.189 -1.073 5.188 1.00 10.00 C ATOM 140 CE3 TRP A 9 -9.825 1.198 4.435 1.00 10.00 C ATOM 141 CZ2 TRP A 9 -9.371 -0.856 6.296 1.00 10.00 C ATOM 142 CZ3 TRP A 9 -9.001 1.419 5.550 1.00 10.00 C ATOM 143 CH2 TRP A 9 -8.774 0.394 6.478 1.00 10.00 C ATOM 0 H TRP A 9 -12.376 1.727 0.310 1.00 10.00 H new ATOM 0 HA TRP A 9 -10.016 1.276 1.879 1.00 10.00 H new ATOM 0 HB2 TRP A 9 -12.587 0.859 2.284 1.00 10.00 H new ATOM 0 HB3 TRP A 9 -12.381 -0.614 1.357 1.00 10.00 H new ATOM 0 HD1 TRP A 9 -12.206 -2.553 3.001 1.00 10.00 H new ATOM 0 HE1 TRP A 9 -10.941 -3.064 5.194 1.00 10.00 H new ATOM 0 HE3 TRP A 9 -9.993 1.995 3.726 1.00 10.00 H new ATOM 0 HZ2 TRP A 9 -9.200 -1.649 7.009 1.00 10.00 H new ATOM 0 HZ3 TRP A 9 -8.539 2.385 5.693 1.00 10.00 H new ATOM 0 HH2 TRP A 9 -8.138 0.570 7.333 1.00 10.00 H new ATOM 154 N ASP A 10 -10.388 -0.830 -0.612 1.00 10.00 N ATOM 155 CA ASP A 10 -9.634 -1.868 -1.387 1.00 10.00 C ATOM 156 C ASP A 10 -8.290 -1.296 -1.856 1.00 10.00 C ATOM 157 O ASP A 10 -7.259 -1.927 -1.722 1.00 10.00 O ATOM 158 CB ASP A 10 -10.533 -2.200 -2.583 1.00 10.00 C ATOM 159 CG ASP A 10 -9.894 -3.306 -3.424 1.00 10.00 C ATOM 160 OD1 ASP A 10 -9.919 -4.444 -2.987 1.00 10.00 O ATOM 161 OD2 ASP A 10 -9.400 -2.998 -4.495 1.00 10.00 O ATOM 0 H ASP A 10 -11.294 -0.574 -1.004 1.00 10.00 H new ATOM 0 HA ASP A 10 -9.411 -2.754 -0.793 1.00 10.00 H new ATOM 0 HB2 ASP A 10 -11.515 -2.519 -2.233 1.00 10.00 H new ATOM 0 HB3 ASP A 10 -10.685 -1.309 -3.193 1.00 10.00 H new ATOM 166 N TRP A 11 -8.296 -0.099 -2.392 1.00 10.00 N ATOM 167 CA TRP A 11 -7.021 0.531 -2.858 1.00 10.00 C ATOM 168 C TRP A 11 -6.081 0.751 -1.665 1.00 10.00 C ATOM 169 O TRP A 11 -4.890 0.523 -1.755 1.00 10.00 O ATOM 170 CB TRP A 11 -7.447 1.871 -3.474 1.00 10.00 C ATOM 171 CG TRP A 11 -6.246 2.607 -3.982 1.00 10.00 C ATOM 172 CD1 TRP A 11 -5.761 2.528 -5.242 1.00 10.00 C ATOM 173 CD2 TRP A 11 -5.378 3.535 -3.266 1.00 10.00 C ATOM 174 NE1 TRP A 11 -4.652 3.348 -5.346 1.00 10.00 N ATOM 175 CE2 TRP A 11 -4.375 3.989 -4.154 1.00 10.00 C ATOM 176 CE3 TRP A 11 -5.365 4.020 -1.946 1.00 10.00 C ATOM 177 CZ2 TRP A 11 -3.393 4.893 -3.747 1.00 10.00 C ATOM 178 CZ3 TRP A 11 -4.378 4.929 -1.532 1.00 10.00 C ATOM 179 CH2 TRP A 11 -3.394 5.365 -2.432 1.00 10.00 C ATOM 0 H TRP A 11 -9.132 0.470 -2.527 1.00 10.00 H new ATOM 0 HA TRP A 11 -6.482 -0.089 -3.574 1.00 10.00 H new ATOM 0 HB2 TRP A 11 -8.150 1.699 -4.289 1.00 10.00 H new ATOM 0 HB3 TRP A 11 -7.965 2.475 -2.729 1.00 10.00 H new ATOM 0 HD1 TRP A 11 -6.172 1.924 -6.037 1.00 10.00 H new ATOM 0 HE1 TRP A 11 -4.105 3.465 -6.199 1.00 10.00 H new ATOM 0 HE3 TRP A 11 -6.119 3.691 -1.246 1.00 10.00 H new ATOM 0 HZ2 TRP A 11 -2.638 5.225 -4.444 1.00 10.00 H new ATOM 0 HZ3 TRP A 11 -4.376 5.294 -0.516 1.00 10.00 H new ATOM 0 HH2 TRP A 11 -2.638 6.065 -2.109 1.00 10.00 H new ATOM 190 N ILE A 12 -6.615 1.180 -0.544 1.00 10.00 N ATOM 191 CA ILE A 12 -5.758 1.400 0.663 1.00 10.00 C ATOM 192 C ILE A 12 -5.105 0.072 1.081 1.00 10.00 C ATOM 193 O ILE A 12 -3.967 0.041 1.512 1.00 10.00 O ATOM 194 CB ILE A 12 -6.714 1.911 1.752 1.00 10.00 C ATOM 195 CG1 ILE A 12 -7.157 3.339 1.412 1.00 10.00 C ATOM 196 CG2 ILE A 12 -6.005 1.912 3.111 1.00 10.00 C ATOM 197 CD1 ILE A 12 -8.480 3.647 2.117 1.00 10.00 C ATOM 0 H ILE A 12 -7.605 1.386 -0.415 1.00 10.00 H new ATOM 0 HA ILE A 12 -4.951 2.110 0.481 1.00 10.00 H new ATOM 0 HB ILE A 12 -7.584 1.256 1.800 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -6.393 4.051 1.723 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -7.274 3.447 0.334 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -6.689 2.275 3.878 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -5.689 0.898 3.357 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -5.132 2.563 3.065 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -8.794 4.662 1.875 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -9.242 2.942 1.784 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -8.348 3.556 3.195 1.00 10.00 H new ATOM 209 N CYS A 13 -5.816 -1.022 0.941 1.00 10.00 N ATOM 210 CA CYS A 13 -5.240 -2.351 1.312 1.00 10.00 C ATOM 211 C CYS A 13 -4.115 -2.727 0.337 1.00 10.00 C ATOM 212 O CYS A 13 -3.100 -3.274 0.732 1.00 10.00 O ATOM 213 CB CYS A 13 -6.406 -3.337 1.197 1.00 10.00 C ATOM 214 SG CYS A 13 -5.964 -4.895 2.009 1.00 10.00 S ATOM 0 H CYS A 13 -6.772 -1.050 0.585 1.00 10.00 H new ATOM 0 HA CYS A 13 -4.808 -2.351 2.313 1.00 10.00 H new ATOM 0 HB2 CYS A 13 -7.299 -2.915 1.658 1.00 10.00 H new ATOM 0 HB3 CYS A 13 -6.643 -3.516 0.148 1.00 10.00 H new ATOM 0 HG CYS A 13 -6.955 -5.731 1.913 1.00 10.00 H new ATOM 220 N GLU A 14 -4.285 -2.428 -0.931 1.00 10.00 N ATOM 221 CA GLU A 14 -3.227 -2.758 -1.934 1.00 10.00 C ATOM 222 C GLU A 14 -1.963 -1.932 -1.664 1.00 10.00 C ATOM 223 O GLU A 14 -0.854 -2.392 -1.864 1.00 10.00 O ATOM 224 CB GLU A 14 -3.836 -2.387 -3.290 1.00 10.00 C ATOM 225 CG GLU A 14 -4.124 -3.661 -4.093 1.00 10.00 C ATOM 226 CD GLU A 14 -5.571 -4.103 -3.856 1.00 10.00 C ATOM 227 OE1 GLU A 14 -5.829 -4.688 -2.816 1.00 10.00 O ATOM 228 OE2 GLU A 14 -6.396 -3.854 -4.721 1.00 10.00 O ATOM 0 H GLU A 14 -5.113 -1.969 -1.312 1.00 10.00 H new ATOM 0 HA GLU A 14 -2.932 -3.807 -1.894 1.00 10.00 H new ATOM 0 HB2 GLU A 14 -4.757 -1.822 -3.144 1.00 10.00 H new ATOM 0 HB3 GLU A 14 -3.152 -1.744 -3.843 1.00 10.00 H new ATOM 0 HG2 GLU A 14 -3.958 -3.479 -5.155 1.00 10.00 H new ATOM 0 HG3 GLU A 14 -3.438 -4.454 -3.795 1.00 10.00 H new ATOM 235 N VAL A 15 -2.129 -0.719 -1.205 1.00 10.00 N ATOM 236 CA VAL A 15 -0.949 0.153 -0.909 1.00 10.00 C ATOM 237 C VAL A 15 -0.301 -0.256 0.424 1.00 10.00 C ATOM 238 O VAL A 15 0.889 -0.092 0.612 1.00 10.00 O ATOM 239 CB VAL A 15 -1.511 1.579 -0.827 1.00 10.00 C ATOM 240 CG1 VAL A 15 -0.402 2.552 -0.416 1.00 10.00 C ATOM 241 CG2 VAL A 15 -2.063 1.993 -2.195 1.00 10.00 C ATOM 0 H VAL A 15 -3.036 -0.291 -1.021 1.00 10.00 H new ATOM 0 HA VAL A 15 -0.175 0.068 -1.672 1.00 10.00 H new ATOM 0 HB VAL A 15 -2.309 1.605 -0.085 1.00 10.00 H new ATOM 0 HG11 VAL A 15 -0.807 3.562 -0.360 1.00 10.00 H new ATOM 0 HG12 VAL A 15 -0.008 2.264 0.559 1.00 10.00 H new ATOM 0 HG13 VAL A 15 0.399 2.523 -1.154 1.00 10.00 H new ATOM 0 HG21 VAL A 15 -2.462 3.006 -2.135 1.00 10.00 H new ATOM 0 HG22 VAL A 15 -1.263 1.961 -2.935 1.00 10.00 H new ATOM 0 HG23 VAL A 15 -2.857 1.307 -2.490 1.00 10.00 H new ATOM 251 N LEU A 16 -1.076 -0.782 1.348 1.00 10.00 N ATOM 252 CA LEU A 16 -0.506 -1.201 2.670 1.00 10.00 C ATOM 253 C LEU A 16 0.623 -2.218 2.459 1.00 10.00 C ATOM 254 O LEU A 16 1.742 -2.010 2.892 1.00 10.00 O ATOM 255 CB LEU A 16 -1.676 -1.836 3.433 1.00 10.00 C ATOM 256 CG LEU A 16 -1.235 -2.179 4.861 1.00 10.00 C ATOM 257 CD1 LEU A 16 -2.186 -1.522 5.865 1.00 10.00 C ATOM 258 CD2 LEU A 16 -1.265 -3.699 5.054 1.00 10.00 C ATOM 0 H LEU A 16 -2.078 -0.939 1.242 1.00 10.00 H new ATOM 0 HA LEU A 16 -0.078 -0.362 3.219 1.00 10.00 H new ATOM 0 HB2 LEU A 16 -2.522 -1.149 3.458 1.00 10.00 H new ATOM 0 HB3 LEU A 16 -2.012 -2.737 2.919 1.00 10.00 H new ATOM 0 HG LEU A 16 -0.223 -1.809 5.024 1.00 10.00 H new ATOM 0 HD11 LEU A 16 -1.871 -1.767 6.879 1.00 10.00 H new ATOM 0 HD12 LEU A 16 -2.167 -0.441 5.730 1.00 10.00 H new ATOM 0 HD13 LEU A 16 -3.199 -1.890 5.701 1.00 10.00 H new ATOM 0 HD21 LEU A 16 -0.952 -3.943 6.069 1.00 10.00 H new ATOM 0 HD22 LEU A 16 -2.278 -4.067 4.889 1.00 10.00 H new ATOM 0 HD23 LEU A 16 -0.587 -4.170 4.342 1.00 10.00 H new ATOM 270 N SER A 17 0.342 -3.308 1.787 1.00 10.00 N ATOM 271 CA SER A 17 1.405 -4.331 1.535 1.00 10.00 C ATOM 272 C SER A 17 2.498 -3.732 0.644 1.00 10.00 C ATOM 273 O SER A 17 3.671 -4.008 0.818 1.00 10.00 O ATOM 274 CB SER A 17 0.701 -5.485 0.822 1.00 10.00 C ATOM 275 OG SER A 17 -0.005 -6.263 1.779 1.00 10.00 O ATOM 0 H SER A 17 -0.576 -3.533 1.403 1.00 10.00 H new ATOM 0 HA SER A 17 1.884 -4.665 2.455 1.00 10.00 H new ATOM 0 HB2 SER A 17 0.013 -5.098 0.070 1.00 10.00 H new ATOM 0 HB3 SER A 17 1.430 -6.104 0.298 1.00 10.00 H new ATOM 0 HG SER A 17 -0.460 -7.004 1.327 1.00 10.00 H new ATOM 281 N ASP A 18 2.119 -2.902 -0.301 1.00 10.00 N ATOM 282 CA ASP A 18 3.132 -2.268 -1.197 1.00 10.00 C ATOM 283 C ASP A 18 4.042 -1.341 -0.386 1.00 10.00 C ATOM 284 O ASP A 18 5.227 -1.273 -0.628 1.00 10.00 O ATOM 285 CB ASP A 18 2.325 -1.463 -2.220 1.00 10.00 C ATOM 286 CG ASP A 18 3.277 -0.840 -3.245 1.00 10.00 C ATOM 287 OD1 ASP A 18 3.811 0.222 -2.964 1.00 10.00 O ATOM 288 OD2 ASP A 18 3.456 -1.436 -4.293 1.00 10.00 O ATOM 0 H ASP A 18 1.152 -2.638 -0.488 1.00 10.00 H new ATOM 0 HA ASP A 18 3.771 -3.007 -1.680 1.00 10.00 H new ATOM 0 HB2 ASP A 18 1.606 -2.110 -2.722 1.00 10.00 H new ATOM 0 HB3 ASP A 18 1.755 -0.683 -1.716 1.00 10.00 H new ATOM 293 N PHE A 19 3.497 -0.637 0.579 1.00 10.00 N ATOM 294 CA PHE A 19 4.338 0.279 1.415 1.00 10.00 C ATOM 295 C PHE A 19 5.553 -0.483 1.955 1.00 10.00 C ATOM 296 O PHE A 19 6.657 0.026 1.970 1.00 10.00 O ATOM 297 CB PHE A 19 3.431 0.725 2.567 1.00 10.00 C ATOM 298 CG PHE A 19 3.492 2.229 2.709 1.00 10.00 C ATOM 299 CD1 PHE A 19 4.677 2.844 3.133 1.00 10.00 C ATOM 300 CD2 PHE A 19 2.365 3.006 2.417 1.00 10.00 C ATOM 301 CE1 PHE A 19 4.734 4.236 3.265 1.00 10.00 C ATOM 302 CE2 PHE A 19 2.423 4.398 2.549 1.00 10.00 C ATOM 303 CZ PHE A 19 3.607 5.014 2.972 1.00 10.00 C ATOM 0 H PHE A 19 2.507 -0.657 0.823 1.00 10.00 H new ATOM 0 HA PHE A 19 4.713 1.130 0.846 1.00 10.00 H new ATOM 0 HB2 PHE A 19 2.405 0.409 2.378 1.00 10.00 H new ATOM 0 HB3 PHE A 19 3.746 0.249 3.496 1.00 10.00 H new ATOM 0 HD1 PHE A 19 5.546 2.244 3.358 1.00 10.00 H new ATOM 0 HD2 PHE A 19 1.451 2.532 2.090 1.00 10.00 H new ATOM 0 HE1 PHE A 19 5.647 4.710 3.593 1.00 10.00 H new ATOM 0 HE2 PHE A 19 1.553 4.998 2.324 1.00 10.00 H new ATOM 0 HZ PHE A 19 3.651 6.088 3.072 1.00 10.00 H new ATOM 313 N LYS A 20 5.349 -1.707 2.385 1.00 10.00 N ATOM 314 CA LYS A 20 6.485 -2.522 2.912 1.00 10.00 C ATOM 315 C LYS A 20 7.531 -2.744 1.808 1.00 10.00 C ATOM 316 O LYS A 20 8.712 -2.531 2.012 1.00 10.00 O ATOM 317 CB LYS A 20 5.857 -3.853 3.337 1.00 10.00 C ATOM 318 CG LYS A 20 6.859 -4.655 4.172 1.00 10.00 C ATOM 319 CD LYS A 20 6.496 -6.141 4.117 1.00 10.00 C ATOM 320 CE LYS A 20 7.593 -6.964 4.798 1.00 10.00 C ATOM 321 NZ LYS A 20 7.210 -7.011 6.240 1.00 10.00 N ATOM 0 H LYS A 20 4.443 -2.175 2.393 1.00 10.00 H new ATOM 0 HA LYS A 20 6.997 -2.033 3.741 1.00 10.00 H new ATOM 0 HB2 LYS A 20 4.951 -3.670 3.915 1.00 10.00 H new ATOM 0 HB3 LYS A 20 5.563 -4.425 2.457 1.00 10.00 H new ATOM 0 HG2 LYS A 20 7.869 -4.502 3.792 1.00 10.00 H new ATOM 0 HG3 LYS A 20 6.850 -4.306 5.204 1.00 10.00 H new ATOM 0 HD2 LYS A 20 5.540 -6.311 4.612 1.00 10.00 H new ATOM 0 HD3 LYS A 20 6.379 -6.459 3.081 1.00 10.00 H new ATOM 0 HE2 LYS A 20 7.654 -7.966 4.374 1.00 10.00 H new ATOM 0 HE3 LYS A 20 8.571 -6.502 4.665 1.00 10.00 H new ATOM 0 HZ1 LYS A 20 7.917 -7.560 6.769 1.00 10.00 H new ATOM 0 HZ2 LYS A 20 7.167 -6.044 6.620 1.00 10.00 H new ATOM 0 HZ3 LYS A 20 6.278 -7.463 6.337 1.00 10.00 H new ATOM 335 N THR A 21 7.103 -3.157 0.637 1.00 10.00 N ATOM 336 CA THR A 21 8.075 -3.380 -0.482 1.00 10.00 C ATOM 337 C THR A 21 8.578 -2.037 -1.024 1.00 10.00 C ATOM 338 O THR A 21 9.711 -1.925 -1.449 1.00 10.00 O ATOM 339 CB THR A 21 7.304 -4.152 -1.563 1.00 10.00 C ATOM 340 OG1 THR A 21 6.003 -3.599 -1.720 1.00 10.00 O ATOM 341 CG2 THR A 21 7.187 -5.622 -1.156 1.00 10.00 C ATOM 0 H THR A 21 6.127 -3.348 0.409 1.00 10.00 H new ATOM 0 HA THR A 21 8.952 -3.937 -0.151 1.00 10.00 H new ATOM 0 HB THR A 21 7.842 -4.076 -2.508 1.00 10.00 H new ATOM 0 HG1 THR A 21 6.016 -2.653 -1.463 1.00 10.00 H new ATOM 0 HG21 THR A 21 6.640 -6.170 -1.923 1.00 10.00 H new ATOM 0 HG22 THR A 21 8.184 -6.050 -1.046 1.00 10.00 H new ATOM 0 HG23 THR A 21 6.654 -5.696 -0.208 1.00 10.00 H new ATOM 349 N TRP A 22 7.750 -1.017 -0.998 1.00 10.00 N ATOM 350 CA TRP A 22 8.184 0.328 -1.493 1.00 10.00 C ATOM 351 C TRP A 22 9.430 0.774 -0.725 1.00 10.00 C ATOM 352 O TRP A 22 10.425 1.158 -1.308 1.00 10.00 O ATOM 353 CB TRP A 22 7.010 1.264 -1.194 1.00 10.00 C ATOM 354 CG TRP A 22 7.138 2.510 -2.014 1.00 10.00 C ATOM 355 CD1 TRP A 22 6.506 2.736 -3.190 1.00 10.00 C ATOM 356 CD2 TRP A 22 7.932 3.700 -1.740 1.00 10.00 C ATOM 357 NE1 TRP A 22 6.863 3.991 -3.654 1.00 10.00 N ATOM 358 CE2 TRP A 22 7.741 4.623 -2.796 1.00 10.00 C ATOM 359 CE3 TRP A 22 8.793 4.065 -0.689 1.00 10.00 C ATOM 360 CZ2 TRP A 22 8.379 5.863 -2.807 1.00 10.00 C ATOM 361 CZ3 TRP A 22 9.438 5.313 -0.698 1.00 10.00 C ATOM 362 CH2 TRP A 22 9.231 6.210 -1.755 1.00 10.00 C ATOM 0 H TRP A 22 6.791 -1.060 -0.654 1.00 10.00 H new ATOM 0 HA TRP A 22 8.434 0.323 -2.554 1.00 10.00 H new ATOM 0 HB2 TRP A 22 6.068 0.764 -1.418 1.00 10.00 H new ATOM 0 HB3 TRP A 22 6.993 1.515 -0.133 1.00 10.00 H new ATOM 0 HD1 TRP A 22 5.834 2.050 -3.685 1.00 10.00 H new ATOM 0 HE1 TRP A 22 6.519 4.399 -4.523 1.00 10.00 H new ATOM 0 HE3 TRP A 22 8.959 3.381 0.130 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 8.216 6.551 -3.623 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 10.097 5.583 0.114 1.00 10.00 H new ATOM 0 HH2 TRP A 22 9.729 7.168 -1.756 1.00 10.00 H new ATOM 373 N LEU A 23 9.375 0.707 0.582 1.00 10.00 N ATOM 374 CA LEU A 23 10.554 1.106 1.414 1.00 10.00 C ATOM 375 C LEU A 23 11.734 0.167 1.129 1.00 10.00 C ATOM 376 O LEU A 23 12.868 0.596 1.030 1.00 10.00 O ATOM 377 CB LEU A 23 10.094 0.965 2.869 1.00 10.00 C ATOM 378 CG LEU A 23 9.760 2.345 3.440 1.00 10.00 C ATOM 379 CD1 LEU A 23 8.302 2.691 3.131 1.00 10.00 C ATOM 380 CD2 LEU A 23 9.967 2.332 4.958 1.00 10.00 C ATOM 0 H LEU A 23 8.562 0.392 1.111 1.00 10.00 H new ATOM 0 HA LEU A 23 10.887 2.121 1.196 1.00 10.00 H new ATOM 0 HB2 LEU A 23 9.219 0.317 2.923 1.00 10.00 H new ATOM 0 HB3 LEU A 23 10.877 0.494 3.464 1.00 10.00 H new ATOM 0 HG LEU A 23 10.413 3.091 2.987 1.00 10.00 H new ATOM 0 HD11 LEU A 23 8.067 3.674 3.539 1.00 10.00 H new ATOM 0 HD12 LEU A 23 8.151 2.700 2.052 1.00 10.00 H new ATOM 0 HD13 LEU A 23 7.648 1.945 3.582 1.00 10.00 H new ATOM 0 HD21 LEU A 23 9.729 3.314 5.366 1.00 10.00 H new ATOM 0 HD22 LEU A 23 9.314 1.585 5.408 1.00 10.00 H new ATOM 0 HD23 LEU A 23 11.006 2.088 5.182 1.00 10.00 H new ATOM 392 N LYS A 24 11.468 -1.113 0.984 1.00 10.00 N ATOM 393 CA LYS A 24 12.566 -2.088 0.690 1.00 10.00 C ATOM 394 C LYS A 24 13.173 -1.787 -0.687 1.00 10.00 C ATOM 395 O LYS A 24 14.373 -1.851 -0.872 1.00 10.00 O ATOM 396 CB LYS A 24 11.889 -3.462 0.694 1.00 10.00 C ATOM 397 CG LYS A 24 12.949 -4.563 0.593 1.00 10.00 C ATOM 398 CD LYS A 24 12.838 -5.256 -0.767 1.00 10.00 C ATOM 399 CE LYS A 24 13.851 -6.403 -0.842 1.00 10.00 C ATOM 400 NZ LYS A 24 13.873 -6.812 -2.276 1.00 10.00 N ATOM 0 H LYS A 24 10.537 -1.522 1.057 1.00 10.00 H new ATOM 0 HA LYS A 24 13.377 -2.036 1.416 1.00 10.00 H new ATOM 0 HB2 LYS A 24 11.307 -3.588 1.607 1.00 10.00 H new ATOM 0 HB3 LYS A 24 11.193 -3.537 -0.141 1.00 10.00 H new ATOM 0 HG2 LYS A 24 13.945 -4.136 0.715 1.00 10.00 H new ATOM 0 HG3 LYS A 24 12.812 -5.289 1.395 1.00 10.00 H new ATOM 0 HD2 LYS A 24 11.828 -5.639 -0.910 1.00 10.00 H new ATOM 0 HD3 LYS A 24 13.024 -4.540 -1.568 1.00 10.00 H new ATOM 0 HE2 LYS A 24 14.837 -6.080 -0.510 1.00 10.00 H new ATOM 0 HE3 LYS A 24 13.555 -7.233 -0.200 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 14.546 -7.595 -2.403 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 12.923 -7.122 -2.563 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 14.166 -6.005 -2.863 1.00 10.00 H new ATOM 414 N ALA A 25 12.348 -1.448 -1.649 1.00 10.00 N ATOM 415 CA ALA A 25 12.866 -1.126 -3.014 1.00 10.00 C ATOM 416 C ALA A 25 13.644 0.199 -2.989 1.00 10.00 C ATOM 417 O ALA A 25 14.500 0.436 -3.820 1.00 10.00 O ATOM 418 CB ALA A 25 11.619 -1.001 -3.895 1.00 10.00 C ATOM 0 H ALA A 25 11.335 -1.381 -1.546 1.00 10.00 H new ATOM 0 HA ALA A 25 13.551 -1.889 -3.385 1.00 10.00 H new ATOM 0 HB1 ALA A 25 11.917 -0.765 -4.916 1.00 10.00 H new ATOM 0 HB2 ALA A 25 11.071 -1.943 -3.886 1.00 10.00 H new ATOM 0 HB3 ALA A 25 10.980 -0.206 -3.511 1.00 10.00 H new ATOM 424 N LYS A 26 13.355 1.060 -2.040 1.00 10.00 N ATOM 425 CA LYS A 26 14.077 2.365 -1.954 1.00 10.00 C ATOM 426 C LYS A 26 15.536 2.145 -1.528 1.00 10.00 C ATOM 427 O LYS A 26 16.447 2.707 -2.107 1.00 10.00 O ATOM 428 CB LYS A 26 13.321 3.167 -0.890 1.00 10.00 C ATOM 429 CG LYS A 26 13.740 4.635 -0.961 1.00 10.00 C ATOM 430 CD LYS A 26 13.019 5.317 -2.125 1.00 10.00 C ATOM 431 CE LYS A 26 12.797 6.795 -1.796 1.00 10.00 C ATOM 432 NZ LYS A 26 12.220 7.390 -3.036 1.00 10.00 N ATOM 0 H LYS A 26 12.647 0.912 -1.321 1.00 10.00 H new ATOM 0 HA LYS A 26 14.105 2.882 -2.913 1.00 10.00 H new ATOM 0 HB2 LYS A 26 12.246 3.077 -1.048 1.00 10.00 H new ATOM 0 HB3 LYS A 26 13.532 2.765 0.101 1.00 10.00 H new ATOM 0 HG2 LYS A 26 13.499 5.139 -0.025 1.00 10.00 H new ATOM 0 HG3 LYS A 26 14.819 4.710 -1.094 1.00 10.00 H new ATOM 0 HD2 LYS A 26 13.608 5.222 -3.037 1.00 10.00 H new ATOM 0 HD3 LYS A 26 12.063 4.828 -2.311 1.00 10.00 H new ATOM 0 HE2 LYS A 26 12.119 6.913 -0.951 1.00 10.00 H new ATOM 0 HE3 LYS A 26 13.733 7.283 -1.524 1.00 10.00 H new ATOM 0 HZ1 LYS A 26 12.368 8.419 -3.029 1.00 10.00 H new ATOM 0 HZ2 LYS A 26 12.688 6.979 -3.869 1.00 10.00 H new ATOM 0 HZ3 LYS A 26 11.201 7.187 -3.077 1.00 10.00 H new ATOM 446 N LEU A 27 15.763 1.331 -0.524 1.00 10.00 N ATOM 447 CA LEU A 27 17.164 1.076 -0.065 1.00 10.00 C ATOM 448 C LEU A 27 17.660 -0.273 -0.597 1.00 10.00 C ATOM 449 O LEU A 27 17.093 -1.312 -0.309 1.00 10.00 O ATOM 450 CB LEU A 27 17.092 1.060 1.464 1.00 10.00 C ATOM 451 CG LEU A 27 18.507 1.138 2.048 1.00 10.00 C ATOM 452 CD1 LEU A 27 18.958 2.600 2.108 1.00 10.00 C ATOM 453 CD2 LEU A 27 18.510 0.546 3.460 1.00 10.00 C ATOM 0 H LEU A 27 15.040 0.834 -0.004 1.00 10.00 H new ATOM 0 HA LEU A 27 17.858 1.834 -0.428 1.00 10.00 H new ATOM 0 HB2 LEU A 27 16.495 1.900 1.818 1.00 10.00 H new ATOM 0 HB3 LEU A 27 16.597 0.151 1.805 1.00 10.00 H new ATOM 0 HG LEU A 27 19.191 0.573 1.414 1.00 10.00 H new ATOM 0 HD11 LEU A 27 19.964 2.654 2.524 1.00 10.00 H new ATOM 0 HD12 LEU A 27 18.957 3.023 1.103 1.00 10.00 H new ATOM 0 HD13 LEU A 27 18.274 3.166 2.740 1.00 10.00 H new ATOM 0 HD21 LEU A 27 19.516 0.601 3.876 1.00 10.00 H new ATOM 0 HD22 LEU A 27 17.825 1.110 4.093 1.00 10.00 H new ATOM 0 HD23 LEU A 27 18.191 -0.496 3.419 1.00 10.00 H new ATOM 465 N MET A 28 18.716 -0.260 -1.369 1.00 10.00 N ATOM 466 CA MET A 28 19.260 -1.536 -1.926 1.00 10.00 C ATOM 467 C MET A 28 20.798 -1.499 -1.931 1.00 10.00 C ATOM 468 O MET A 28 21.409 -1.198 -2.940 1.00 10.00 O ATOM 469 CB MET A 28 18.706 -1.614 -3.354 1.00 10.00 C ATOM 470 CG MET A 28 18.038 -2.973 -3.573 1.00 10.00 C ATOM 471 SD MET A 28 19.239 -4.131 -4.276 1.00 10.00 S ATOM 472 CE MET A 28 18.049 -5.351 -4.885 1.00 10.00 C ATOM 0 H MET A 28 19.227 0.581 -1.639 1.00 10.00 H new ATOM 0 HA MET A 28 18.971 -2.405 -1.335 1.00 10.00 H new ATOM 0 HB2 MET A 28 17.986 -0.813 -3.519 1.00 10.00 H new ATOM 0 HB3 MET A 28 19.511 -1.473 -4.075 1.00 10.00 H new ATOM 0 HG2 MET A 28 17.656 -3.359 -2.628 1.00 10.00 H new ATOM 0 HG3 MET A 28 17.185 -2.867 -4.243 1.00 10.00 H new ATOM 0 HE1 MET A 28 18.582 -6.171 -5.366 1.00 10.00 H new ATOM 0 HE2 MET A 28 17.465 -5.738 -4.050 1.00 10.00 H new ATOM 0 HE3 MET A 28 17.382 -4.880 -5.607 1.00 10.00 H new ATOM 482 N PRO A 29 21.376 -1.807 -0.792 1.00 10.00 N ATOM 483 CA PRO A 29 22.855 -1.809 -0.662 1.00 10.00 C ATOM 484 C PRO A 29 23.467 -3.042 -1.344 1.00 10.00 C ATOM 485 O PRO A 29 22.773 -3.843 -1.945 1.00 10.00 O ATOM 486 CB PRO A 29 23.085 -1.860 0.845 1.00 10.00 C ATOM 487 CG PRO A 29 21.848 -2.483 1.411 1.00 10.00 C ATOM 488 CD PRO A 29 20.712 -2.175 0.468 1.00 10.00 C ATOM 0 HA PRO A 29 23.319 -0.943 -1.135 1.00 10.00 H new ATOM 0 HB2 PRO A 29 23.969 -2.449 1.088 1.00 10.00 H new ATOM 0 HB3 PRO A 29 23.245 -0.862 1.253 1.00 10.00 H new ATOM 0 HG2 PRO A 29 21.976 -3.560 1.518 1.00 10.00 H new ATOM 0 HG3 PRO A 29 21.639 -2.087 2.405 1.00 10.00 H new ATOM 0 HD2 PRO A 29 20.059 -3.038 0.336 1.00 10.00 H new ATOM 0 HD3 PRO A 29 20.092 -1.361 0.844 1.00 10.00 H new ATOM 496 N GLN A 30 24.762 -3.198 -1.244 1.00 10.00 N ATOM 497 CA GLN A 30 25.435 -4.373 -1.873 1.00 10.00 C ATOM 498 C GLN A 30 26.294 -5.101 -0.830 1.00 10.00 C ATOM 499 O GLN A 30 27.484 -4.870 -0.718 1.00 10.00 O ATOM 500 CB GLN A 30 26.304 -3.782 -2.988 1.00 10.00 C ATOM 501 CG GLN A 30 26.727 -4.892 -3.954 1.00 10.00 C ATOM 502 CD GLN A 30 26.904 -4.310 -5.360 1.00 10.00 C ATOM 503 OE1 GLN A 30 27.942 -3.765 -5.677 1.00 10.00 O ATOM 504 NE2 GLN A 30 25.928 -4.403 -6.221 1.00 10.00 N ATOM 0 H GLN A 30 25.385 -2.558 -0.751 1.00 10.00 H new ATOM 0 HA GLN A 30 24.727 -5.104 -2.264 1.00 10.00 H new ATOM 0 HB2 GLN A 30 25.750 -3.011 -3.524 1.00 10.00 H new ATOM 0 HB3 GLN A 30 27.185 -3.303 -2.561 1.00 10.00 H new ATOM 0 HG2 GLN A 30 27.659 -5.345 -3.617 1.00 10.00 H new ATOM 0 HG3 GLN A 30 25.976 -5.681 -3.968 1.00 10.00 H new ATOM 0 HE21 GLN A 30 25.056 -4.861 -5.956 1.00 10.00 H new ATOM 0 HE22 GLN A 30 26.037 -4.018 -7.159 1.00 10.00 H new ATOM 513 N LEU A 31 25.691 -5.978 -0.065 1.00 10.00 N ATOM 514 CA LEU A 31 26.458 -6.728 0.977 1.00 10.00 C ATOM 515 C LEU A 31 25.994 -8.190 1.028 1.00 10.00 C ATOM 516 O LEU A 31 26.848 -9.061 1.004 1.00 10.00 O ATOM 517 CB LEU A 31 26.140 -6.017 2.296 1.00 10.00 C ATOM 518 CG LEU A 31 27.247 -5.007 2.616 1.00 10.00 C ATOM 519 CD1 LEU A 31 26.667 -3.857 3.442 1.00 10.00 C ATOM 520 CD2 LEU A 31 28.355 -5.700 3.415 1.00 10.00 C ATOM 521 OXT LEU A 31 24.794 -8.412 1.088 1.00 10.00 O ATOM 0 H LEU A 31 24.698 -6.207 -0.118 1.00 10.00 H new ATOM 0 HA LEU A 31 27.528 -6.742 0.770 1.00 10.00 H new ATOM 0 HB2 LEU A 31 25.179 -5.508 2.224 1.00 10.00 H new ATOM 0 HB3 LEU A 31 26.055 -6.746 3.102 1.00 10.00 H new ATOM 0 HG LEU A 31 27.659 -4.615 1.686 1.00 10.00 H new ATOM 0 HD11 LEU A 31 27.455 -3.139 3.669 1.00 10.00 H new ATOM 0 HD12 LEU A 31 25.878 -3.363 2.874 1.00 10.00 H new ATOM 0 HD13 LEU A 31 26.254 -4.249 4.372 1.00 10.00 H new ATOM 0 HD21 LEU A 31 29.143 -4.982 3.643 1.00 10.00 H new ATOM 0 HD22 LEU A 31 27.942 -6.093 4.344 1.00 10.00 H new ATOM 0 HD23 LEU A 31 28.770 -6.519 2.827 1.00 10.00 H new TER 533 LEU A 31