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+ 145:sc= 0.071 (180deg=0.00217) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0581 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -67:sc= 0.411 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0212 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= -0.1 X(o=-0.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -26.310 0.426 1.755 1.00 10.00 N ATOM 2 CA SER A 1 -26.748 1.277 0.607 1.00 10.00 C ATOM 3 C SER A 1 -25.530 1.896 -0.092 1.00 10.00 C ATOM 4 O SER A 1 -24.632 2.407 0.550 1.00 10.00 O ATOM 5 CB SER A 1 -27.622 2.370 1.226 1.00 10.00 C ATOM 6 OG SER A 1 -28.714 1.767 1.909 1.00 10.00 O ATOM 0 H1 SER A 1 -27.005 0.498 2.525 1.00 10.00 H new ATOM 0 H2 SER A 1 -26.237 -0.564 1.445 1.00 10.00 H new ATOM 0 H3 SER A 1 -25.382 0.752 2.094 1.00 10.00 H new ATOM 0 HA SER A 1 -27.289 0.702 -0.145 1.00 10.00 H new ATOM 0 HB2 SER A 1 -27.034 2.974 1.917 1.00 10.00 H new ATOM 0 HB3 SER A 1 -27.989 3.041 0.450 1.00 10.00 H new ATOM 0 HG SER A 1 -29.275 2.464 2.308 1.00 10.00 H new ATOM 14 N GLY A 2 -25.495 1.849 -1.401 1.00 10.00 N ATOM 15 CA GLY A 2 -24.338 2.432 -2.147 1.00 10.00 C ATOM 16 C GLY A 2 -23.149 1.467 -2.099 1.00 10.00 C ATOM 17 O GLY A 2 -23.302 0.292 -1.821 1.00 10.00 O ATOM 0 H GLY A 2 -26.219 1.431 -1.985 1.00 10.00 H new ATOM 0 HA2 GLY A 2 -24.621 2.624 -3.182 1.00 10.00 H new ATOM 0 HA3 GLY A 2 -24.058 3.391 -1.710 1.00 10.00 H new ATOM 21 N SER A 3 -21.964 1.957 -2.372 1.00 10.00 N ATOM 22 CA SER A 3 -20.755 1.076 -2.347 1.00 10.00 C ATOM 23 C SER A 3 -19.488 1.920 -2.143 1.00 10.00 C ATOM 24 O SER A 3 -18.597 1.933 -2.973 1.00 10.00 O ATOM 25 CB SER A 3 -20.738 0.387 -3.714 1.00 10.00 C ATOM 26 OG SER A 3 -19.919 -0.773 -3.645 1.00 10.00 O ATOM 0 H SER A 3 -21.782 2.932 -2.612 1.00 10.00 H new ATOM 0 HA SER A 3 -20.784 0.353 -1.531 1.00 10.00 H new ATOM 0 HB2 SER A 3 -21.751 0.114 -4.009 1.00 10.00 H new ATOM 0 HB3 SER A 3 -20.358 1.070 -4.474 1.00 10.00 H new ATOM 0 HG SER A 3 -19.907 -1.217 -4.518 1.00 10.00 H new ATOM 32 N TRP A 4 -19.404 2.625 -1.043 1.00 10.00 N ATOM 33 CA TRP A 4 -18.204 3.470 -0.776 1.00 10.00 C ATOM 34 C TRP A 4 -17.493 2.994 0.496 1.00 10.00 C ATOM 35 O TRP A 4 -17.902 2.031 1.120 1.00 10.00 O ATOM 36 CB TRP A 4 -18.764 4.881 -0.585 1.00 10.00 C ATOM 37 CG TRP A 4 -18.615 5.657 -1.854 1.00 10.00 C ATOM 38 CD1 TRP A 4 -19.512 5.667 -2.867 1.00 10.00 C ATOM 39 CD2 TRP A 4 -17.525 6.534 -2.265 1.00 10.00 C ATOM 40 NE1 TRP A 4 -19.044 6.494 -3.872 1.00 10.00 N ATOM 41 CE2 TRP A 4 -17.823 7.052 -3.548 1.00 10.00 C ATOM 42 CE3 TRP A 4 -16.320 6.927 -1.654 1.00 10.00 C ATOM 43 CZ2 TRP A 4 -16.955 7.928 -4.202 1.00 10.00 C ATOM 44 CZ3 TRP A 4 -15.446 7.809 -2.311 1.00 10.00 C ATOM 45 CH2 TRP A 4 -15.763 8.308 -3.581 1.00 10.00 C ATOM 0 H TRP A 4 -20.119 2.651 -0.316 1.00 10.00 H new ATOM 0 HA TRP A 4 -17.471 3.423 -1.581 1.00 10.00 H new ATOM 0 HB2 TRP A 4 -19.815 4.830 -0.299 1.00 10.00 H new ATOM 0 HB3 TRP A 4 -18.237 5.385 0.225 1.00 10.00 H new ATOM 0 HD1 TRP A 4 -20.442 5.118 -2.887 1.00 10.00 H new ATOM 0 HE1 TRP A 4 -19.540 6.670 -4.746 1.00 10.00 H new ATOM 0 HE3 TRP A 4 -16.066 6.549 -0.675 1.00 10.00 H new ATOM 0 HZ2 TRP A 4 -17.203 8.309 -5.181 1.00 10.00 H new ATOM 0 HZ3 TRP A 4 -14.523 8.104 -1.834 1.00 10.00 H new ATOM 0 HH2 TRP A 4 -15.086 8.986 -4.080 1.00 10.00 H new ATOM 56 N LEU A 5 -16.431 3.670 0.880 1.00 10.00 N ATOM 57 CA LEU A 5 -15.658 3.293 2.113 1.00 10.00 C ATOM 58 C LEU A 5 -14.963 1.935 1.931 1.00 10.00 C ATOM 59 O LEU A 5 -13.751 1.863 1.867 1.00 10.00 O ATOM 60 CB LEU A 5 -16.683 3.242 3.257 1.00 10.00 C ATOM 61 CG LEU A 5 -16.239 4.180 4.382 1.00 10.00 C ATOM 62 CD1 LEU A 5 -16.908 5.544 4.205 1.00 10.00 C ATOM 63 CD2 LEU A 5 -16.646 3.585 5.733 1.00 10.00 C ATOM 0 H LEU A 5 -16.062 4.480 0.383 1.00 10.00 H new ATOM 0 HA LEU A 5 -14.869 4.015 2.323 1.00 10.00 H new ATOM 0 HB2 LEU A 5 -17.667 3.536 2.891 1.00 10.00 H new ATOM 0 HB3 LEU A 5 -16.774 2.223 3.633 1.00 10.00 H new ATOM 0 HG LEU A 5 -15.156 4.300 4.348 1.00 10.00 H new ATOM 0 HD11 LEU A 5 -16.591 6.211 5.007 1.00 10.00 H new ATOM 0 HD12 LEU A 5 -16.619 5.969 3.244 1.00 10.00 H new ATOM 0 HD13 LEU A 5 -17.991 5.425 4.238 1.00 10.00 H new ATOM 0 HD21 LEU A 5 -16.330 4.253 6.535 1.00 10.00 H new ATOM 0 HD22 LEU A 5 -17.729 3.465 5.766 1.00 10.00 H new ATOM 0 HD23 LEU A 5 -16.169 2.613 5.861 1.00 10.00 H new ATOM 75 N ARG A 6 -15.715 0.861 1.842 1.00 10.00 N ATOM 76 CA ARG A 6 -15.090 -0.487 1.658 1.00 10.00 C ATOM 77 C ARG A 6 -14.248 -0.503 0.375 1.00 10.00 C ATOM 78 O ARG A 6 -13.138 -0.999 0.360 1.00 10.00 O ATOM 79 CB ARG A 6 -16.265 -1.465 1.548 1.00 10.00 C ATOM 80 CG ARG A 6 -16.449 -2.205 2.878 1.00 10.00 C ATOM 81 CD ARG A 6 -15.373 -3.287 3.023 1.00 10.00 C ATOM 82 NE ARG A 6 -14.479 -2.808 4.117 1.00 10.00 N ATOM 83 CZ ARG A 6 -13.752 -3.661 4.787 1.00 10.00 C ATOM 84 NH1 ARG A 6 -12.564 -3.991 4.349 1.00 10.00 N ATOM 85 NH2 ARG A 6 -14.215 -4.185 5.893 1.00 10.00 N ATOM 0 H ARG A 6 -16.734 0.861 1.889 1.00 10.00 H new ATOM 0 HA ARG A 6 -14.425 -0.751 2.480 1.00 10.00 H new ATOM 0 HB2 ARG A 6 -17.177 -0.925 1.292 1.00 10.00 H new ATOM 0 HB3 ARG A 6 -16.082 -2.180 0.746 1.00 10.00 H new ATOM 0 HG2 ARG A 6 -16.385 -1.502 3.708 1.00 10.00 H new ATOM 0 HG3 ARG A 6 -17.440 -2.657 2.919 1.00 10.00 H new ATOM 0 HD2 ARG A 6 -15.816 -4.252 3.271 1.00 10.00 H new ATOM 0 HD3 ARG A 6 -14.820 -3.419 2.093 1.00 10.00 H new ATOM 0 HE ARG A 6 -14.436 -1.814 4.342 1.00 10.00 H new ATOM 0 HH11 ARG A 6 -12.207 -3.582 3.485 1.00 10.00 H new ATOM 0 HH12 ARG A 6 -11.995 -4.657 4.871 1.00 10.00 H new ATOM 0 HH21 ARG A 6 -15.142 -3.927 6.230 1.00 10.00 H new ATOM 0 HH22 ARG A 6 -13.649 -4.852 6.418 1.00 10.00 H new ATOM 99 N ASP A 7 -14.768 0.054 -0.694 1.00 10.00 N ATOM 100 CA ASP A 7 -14.002 0.096 -1.979 1.00 10.00 C ATOM 101 C ASP A 7 -12.769 0.997 -1.821 1.00 10.00 C ATOM 102 O ASP A 7 -11.701 0.692 -2.318 1.00 10.00 O ATOM 103 CB ASP A 7 -14.978 0.681 -3.008 1.00 10.00 C ATOM 104 CG ASP A 7 -14.233 1.021 -4.303 1.00 10.00 C ATOM 105 OD1 ASP A 7 -13.661 0.117 -4.894 1.00 10.00 O ATOM 106 OD2 ASP A 7 -14.249 2.180 -4.684 1.00 10.00 O ATOM 0 H ASP A 7 -15.693 0.482 -0.731 1.00 10.00 H new ATOM 0 HA ASP A 7 -13.641 -0.887 -2.283 1.00 10.00 H new ATOM 0 HB2 ASP A 7 -15.774 -0.034 -3.214 1.00 10.00 H new ATOM 0 HB3 ASP A 7 -15.451 1.577 -2.605 1.00 10.00 H new ATOM 111 N ILE A 8 -12.910 2.100 -1.121 1.00 10.00 N ATOM 112 CA ILE A 8 -11.746 3.021 -0.913 1.00 10.00 C ATOM 113 C ILE A 8 -10.622 2.272 -0.183 1.00 10.00 C ATOM 114 O ILE A 8 -9.463 2.381 -0.537 1.00 10.00 O ATOM 115 CB ILE A 8 -12.283 4.174 -0.050 1.00 10.00 C ATOM 116 CG1 ILE A 8 -13.272 5.022 -0.868 1.00 10.00 C ATOM 117 CG2 ILE A 8 -11.122 5.057 0.422 1.00 10.00 C ATOM 118 CD1 ILE A 8 -12.556 5.674 -2.054 1.00 10.00 C ATOM 0 H ILE A 8 -13.781 2.402 -0.685 1.00 10.00 H new ATOM 0 HA ILE A 8 -11.334 3.389 -1.852 1.00 10.00 H new ATOM 0 HB ILE A 8 -12.795 3.758 0.817 1.00 10.00 H new ATOM 0 HG12 ILE A 8 -14.089 4.396 -1.227 1.00 10.00 H new ATOM 0 HG13 ILE A 8 -13.714 5.790 -0.234 1.00 10.00 H new ATOM 0 HG21 ILE A 8 -11.510 5.872 1.033 1.00 10.00 H new ATOM 0 HG22 ILE A 8 -10.427 4.460 1.012 1.00 10.00 H new ATOM 0 HG23 ILE A 8 -10.602 5.468 -0.443 1.00 10.00 H new ATOM 0 HD11 ILE A 8 -13.267 6.271 -2.625 1.00 10.00 H new ATOM 0 HD12 ILE A 8 -11.755 6.316 -1.687 1.00 10.00 H new ATOM 0 HD13 ILE A 8 -12.135 4.900 -2.696 1.00 10.00 H new ATOM 130 N TRP A 9 -10.962 1.499 0.823 1.00 10.00 N ATOM 131 CA TRP A 9 -9.916 0.730 1.564 1.00 10.00 C ATOM 132 C TRP A 9 -9.337 -0.361 0.656 1.00 10.00 C ATOM 133 O TRP A 9 -8.161 -0.668 0.720 1.00 10.00 O ATOM 134 CB TRP A 9 -10.630 0.109 2.766 1.00 10.00 C ATOM 135 CG TRP A 9 -9.623 -0.574 3.638 1.00 10.00 C ATOM 136 CD1 TRP A 9 -9.562 -1.907 3.856 1.00 10.00 C ATOM 137 CD2 TRP A 9 -8.530 0.016 4.401 1.00 10.00 C ATOM 138 NE1 TRP A 9 -8.503 -2.173 4.705 1.00 10.00 N ATOM 139 CE2 TRP A 9 -7.836 -1.021 5.069 1.00 10.00 C ATOM 140 CE3 TRP A 9 -8.080 1.338 4.578 1.00 10.00 C ATOM 141 CZ2 TRP A 9 -6.734 -0.756 5.883 1.00 10.00 C ATOM 142 CZ3 TRP A 9 -6.970 1.606 5.396 1.00 10.00 C ATOM 143 CH2 TRP A 9 -6.299 0.561 6.047 1.00 10.00 C ATOM 0 H TRP A 9 -11.916 1.369 1.160 1.00 10.00 H new ATOM 0 HA TRP A 9 -9.088 1.363 1.881 1.00 10.00 H new ATOM 0 HB2 TRP A 9 -11.154 0.880 3.331 1.00 10.00 H new ATOM 0 HB3 TRP A 9 -11.381 -0.606 2.429 1.00 10.00 H new ATOM 0 HD1 TRP A 9 -10.231 -2.644 3.436 1.00 10.00 H new ATOM 0 HE1 TRP A 9 -8.246 -3.107 5.023 1.00 10.00 H new ATOM 0 HE3 TRP A 9 -8.591 2.150 4.082 1.00 10.00 H new ATOM 0 HZ2 TRP A 9 -6.221 -1.564 6.383 1.00 10.00 H new ATOM 0 HZ3 TRP A 9 -6.631 2.623 5.524 1.00 10.00 H new ATOM 0 HH2 TRP A 9 -5.446 0.774 6.675 1.00 10.00 H new ATOM 154 N ASP A 10 -10.153 -0.936 -0.199 1.00 10.00 N ATOM 155 CA ASP A 10 -9.646 -1.993 -1.126 1.00 10.00 C ATOM 156 C ASP A 10 -8.500 -1.420 -1.967 1.00 10.00 C ATOM 157 O ASP A 10 -7.475 -2.050 -2.144 1.00 10.00 O ATOM 158 CB ASP A 10 -10.840 -2.362 -2.011 1.00 10.00 C ATOM 159 CG ASP A 10 -10.543 -3.667 -2.750 1.00 10.00 C ATOM 160 OD1 ASP A 10 -10.599 -4.708 -2.116 1.00 10.00 O ATOM 161 OD2 ASP A 10 -10.263 -3.601 -3.935 1.00 10.00 O ATOM 0 H ASP A 10 -11.145 -0.718 -0.292 1.00 10.00 H new ATOM 0 HA ASP A 10 -9.260 -2.866 -0.600 1.00 10.00 H new ATOM 0 HB2 ASP A 10 -11.737 -2.473 -1.402 1.00 10.00 H new ATOM 0 HB3 ASP A 10 -11.037 -1.563 -2.726 1.00 10.00 H new ATOM 166 N TRP A 11 -8.661 -0.213 -2.459 1.00 10.00 N ATOM 167 CA TRP A 11 -7.573 0.420 -3.259 1.00 10.00 C ATOM 168 C TRP A 11 -6.398 0.757 -2.334 1.00 10.00 C ATOM 169 O TRP A 11 -5.250 0.556 -2.680 1.00 10.00 O ATOM 170 CB TRP A 11 -8.188 1.695 -3.850 1.00 10.00 C ATOM 171 CG TRP A 11 -7.122 2.479 -4.546 1.00 10.00 C ATOM 172 CD1 TRP A 11 -6.605 2.180 -5.759 1.00 10.00 C ATOM 173 CD2 TRP A 11 -6.427 3.675 -4.088 1.00 10.00 C ATOM 174 NE1 TRP A 11 -5.639 3.116 -6.076 1.00 10.00 N ATOM 175 CE2 TRP A 11 -5.494 4.060 -5.078 1.00 10.00 C ATOM 176 CE3 TRP A 11 -6.518 4.456 -2.922 1.00 10.00 C ATOM 177 CZ2 TRP A 11 -4.678 5.179 -4.917 1.00 10.00 C ATOM 178 CZ3 TRP A 11 -5.698 5.584 -2.756 1.00 10.00 C ATOM 179 CH2 TRP A 11 -4.780 5.945 -3.752 1.00 10.00 C ATOM 0 H TRP A 11 -9.499 0.357 -2.339 1.00 10.00 H new ATOM 0 HA TRP A 11 -7.194 -0.233 -4.045 1.00 10.00 H new ATOM 0 HB2 TRP A 11 -8.983 1.439 -4.550 1.00 10.00 H new ATOM 0 HB3 TRP A 11 -8.640 2.295 -3.060 1.00 10.00 H new ATOM 0 HD1 TRP A 11 -6.899 1.346 -6.379 1.00 10.00 H new ATOM 0 HE1 TRP A 11 -5.099 3.110 -6.941 1.00 10.00 H new ATOM 0 HE3 TRP A 11 -7.223 4.187 -2.149 1.00 10.00 H new ATOM 0 HZ2 TRP A 11 -3.972 5.452 -5.687 1.00 10.00 H new ATOM 0 HZ3 TRP A 11 -5.775 6.176 -1.856 1.00 10.00 H new ATOM 0 HH2 TRP A 11 -4.152 6.814 -3.620 1.00 10.00 H new ATOM 190 N ILE A 12 -6.682 1.248 -1.146 1.00 10.00 N ATOM 191 CA ILE A 12 -5.583 1.571 -0.183 1.00 10.00 C ATOM 192 C ILE A 12 -4.780 0.293 0.103 1.00 10.00 C ATOM 193 O ILE A 12 -3.568 0.322 0.198 1.00 10.00 O ATOM 194 CB ILE A 12 -6.288 2.080 1.086 1.00 10.00 C ATOM 195 CG1 ILE A 12 -6.780 3.513 0.853 1.00 10.00 C ATOM 196 CG2 ILE A 12 -5.310 2.068 2.267 1.00 10.00 C ATOM 197 CD1 ILE A 12 -7.703 3.934 2.000 1.00 10.00 C ATOM 0 H ILE A 12 -7.625 1.437 -0.806 1.00 10.00 H new ATOM 0 HA ILE A 12 -4.886 2.317 -0.565 1.00 10.00 H new ATOM 0 HB ILE A 12 -7.133 1.430 1.311 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -5.931 4.193 0.788 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -7.312 3.575 -0.096 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -5.816 2.430 3.162 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -4.956 1.051 2.436 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -4.462 2.715 2.043 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -8.051 4.953 1.832 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -8.559 3.261 2.044 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -7.157 3.888 2.942 1.00 10.00 H new ATOM 209 N CYS A 13 -5.455 -0.831 0.206 1.00 10.00 N ATOM 210 CA CYS A 13 -4.743 -2.123 0.451 1.00 10.00 C ATOM 211 C CYS A 13 -3.844 -2.448 -0.749 1.00 10.00 C ATOM 212 O CYS A 13 -2.745 -2.946 -0.592 1.00 10.00 O ATOM 213 CB CYS A 13 -5.852 -3.170 0.600 1.00 10.00 C ATOM 214 SG CYS A 13 -5.164 -4.680 1.321 1.00 10.00 S ATOM 0 H CYS A 13 -6.469 -0.906 0.130 1.00 10.00 H new ATOM 0 HA CYS A 13 -4.105 -2.091 1.334 1.00 10.00 H new ATOM 0 HB2 CYS A 13 -6.650 -2.783 1.234 1.00 10.00 H new ATOM 0 HB3 CYS A 13 -6.294 -3.387 -0.372 1.00 10.00 H new ATOM 0 HG CYS A 13 -6.105 -5.568 1.449 1.00 10.00 H new ATOM 220 N GLU A 14 -4.299 -2.147 -1.947 1.00 10.00 N ATOM 221 CA GLU A 14 -3.467 -2.410 -3.162 1.00 10.00 C ATOM 222 C GLU A 14 -2.147 -1.652 -3.045 1.00 10.00 C ATOM 223 O GLU A 14 -1.079 -2.197 -3.247 1.00 10.00 O ATOM 224 CB GLU A 14 -4.286 -1.864 -4.333 1.00 10.00 C ATOM 225 CG GLU A 14 -3.698 -2.366 -5.656 1.00 10.00 C ATOM 226 CD GLU A 14 -3.587 -1.200 -6.642 1.00 10.00 C ATOM 227 OE1 GLU A 14 -2.783 -0.314 -6.396 1.00 10.00 O ATOM 228 OE2 GLU A 14 -4.307 -1.212 -7.627 1.00 10.00 O ATOM 0 H GLU A 14 -5.212 -1.730 -2.132 1.00 10.00 H new ATOM 0 HA GLU A 14 -3.234 -3.467 -3.289 1.00 10.00 H new ATOM 0 HB2 GLU A 14 -5.325 -2.182 -4.242 1.00 10.00 H new ATOM 0 HB3 GLU A 14 -4.284 -0.774 -4.314 1.00 10.00 H new ATOM 0 HG2 GLU A 14 -2.716 -2.806 -5.485 1.00 10.00 H new ATOM 0 HG3 GLU A 14 -4.331 -3.150 -6.073 1.00 10.00 H new ATOM 235 N VAL A 15 -2.226 -0.398 -2.702 1.00 10.00 N ATOM 236 CA VAL A 15 -0.989 0.429 -2.540 1.00 10.00 C ATOM 237 C VAL A 15 -0.256 0.028 -1.248 1.00 10.00 C ATOM 238 O VAL A 15 0.954 0.102 -1.167 1.00 10.00 O ATOM 239 CB VAL A 15 -1.476 1.883 -2.456 1.00 10.00 C ATOM 240 CG1 VAL A 15 -0.273 2.830 -2.431 1.00 10.00 C ATOM 241 CG2 VAL A 15 -2.350 2.210 -3.674 1.00 10.00 C ATOM 0 H VAL A 15 -3.100 0.098 -2.524 1.00 10.00 H new ATOM 0 HA VAL A 15 -0.290 0.289 -3.364 1.00 10.00 H new ATOM 0 HB VAL A 15 -2.060 2.009 -1.544 1.00 10.00 H new ATOM 0 HG11 VAL A 15 -0.623 3.861 -2.371 1.00 10.00 H new ATOM 0 HG12 VAL A 15 0.348 2.607 -1.563 1.00 10.00 H new ATOM 0 HG13 VAL A 15 0.313 2.698 -3.340 1.00 10.00 H new ATOM 0 HG21 VAL A 15 -2.693 3.243 -3.609 1.00 10.00 H new ATOM 0 HG22 VAL A 15 -1.768 2.077 -4.586 1.00 10.00 H new ATOM 0 HG23 VAL A 15 -3.211 1.542 -3.693 1.00 10.00 H new ATOM 251 N LEU A 16 -0.988 -0.395 -0.240 1.00 10.00 N ATOM 252 CA LEU A 16 -0.348 -0.803 1.053 1.00 10.00 C ATOM 253 C LEU A 16 0.656 -1.940 0.825 1.00 10.00 C ATOM 254 O LEU A 16 1.757 -1.911 1.341 1.00 10.00 O ATOM 255 CB LEU A 16 -1.502 -1.284 1.946 1.00 10.00 C ATOM 256 CG LEU A 16 -1.347 -0.717 3.364 1.00 10.00 C ATOM 257 CD1 LEU A 16 0.025 -1.096 3.929 1.00 10.00 C ATOM 258 CD2 LEU A 16 -1.482 0.808 3.328 1.00 10.00 C ATOM 0 H LEU A 16 -2.005 -0.475 -0.259 1.00 10.00 H new ATOM 0 HA LEU A 16 0.203 0.021 1.506 1.00 10.00 H new ATOM 0 HB2 LEU A 16 -2.455 -0.968 1.522 1.00 10.00 H new ATOM 0 HB3 LEU A 16 -1.514 -2.373 1.981 1.00 10.00 H new ATOM 0 HG LEU A 16 -2.126 -1.135 4.002 1.00 10.00 H new ATOM 0 HD11 LEU A 16 0.129 -0.691 4.935 1.00 10.00 H new ATOM 0 HD12 LEU A 16 0.117 -2.182 3.964 1.00 10.00 H new ATOM 0 HD13 LEU A 16 0.807 -0.686 3.290 1.00 10.00 H new ATOM 0 HD21 LEU A 16 -1.371 1.207 4.336 1.00 10.00 H new ATOM 0 HD22 LEU A 16 -0.708 1.227 2.685 1.00 10.00 H new ATOM 0 HD23 LEU A 16 -2.463 1.077 2.937 1.00 10.00 H new ATOM 270 N SER A 17 0.287 -2.939 0.055 1.00 10.00 N ATOM 271 CA SER A 17 1.231 -4.074 -0.204 1.00 10.00 C ATOM 272 C SER A 17 2.489 -3.557 -0.913 1.00 10.00 C ATOM 273 O SER A 17 3.594 -3.957 -0.597 1.00 10.00 O ATOM 274 CB SER A 17 0.463 -5.059 -1.093 1.00 10.00 C ATOM 275 OG SER A 17 0.086 -4.420 -2.305 1.00 10.00 O ATOM 0 H SER A 17 -0.621 -3.017 -0.402 1.00 10.00 H new ATOM 0 HA SER A 17 1.560 -4.553 0.718 1.00 10.00 H new ATOM 0 HB2 SER A 17 1.083 -5.929 -1.308 1.00 10.00 H new ATOM 0 HB3 SER A 17 -0.423 -5.420 -0.571 1.00 10.00 H new ATOM 0 HG SER A 17 -0.578 -3.725 -2.115 1.00 10.00 H new ATOM 281 N ASP A 18 2.330 -2.656 -1.855 1.00 10.00 N ATOM 282 CA ASP A 18 3.521 -2.097 -2.565 1.00 10.00 C ATOM 283 C ASP A 18 4.297 -1.179 -1.613 1.00 10.00 C ATOM 284 O ASP A 18 5.513 -1.194 -1.584 1.00 10.00 O ATOM 285 CB ASP A 18 2.959 -1.308 -3.753 1.00 10.00 C ATOM 286 CG ASP A 18 4.081 -0.507 -4.424 1.00 10.00 C ATOM 287 OD1 ASP A 18 5.031 -1.122 -4.883 1.00 10.00 O ATOM 288 OD2 ASP A 18 3.971 0.707 -4.467 1.00 10.00 O ATOM 0 H ASP A 18 1.430 -2.286 -2.160 1.00 10.00 H new ATOM 0 HA ASP A 18 4.210 -2.872 -2.901 1.00 10.00 H new ATOM 0 HB2 ASP A 18 2.507 -1.990 -4.473 1.00 10.00 H new ATOM 0 HB3 ASP A 18 2.172 -0.634 -3.414 1.00 10.00 H new ATOM 293 N PHE A 19 3.600 -0.397 -0.820 1.00 10.00 N ATOM 294 CA PHE A 19 4.294 0.505 0.152 1.00 10.00 C ATOM 295 C PHE A 19 5.201 -0.327 1.063 1.00 10.00 C ATOM 296 O PHE A 19 6.293 0.081 1.408 1.00 10.00 O ATOM 297 CB PHE A 19 3.178 1.163 0.970 1.00 10.00 C ATOM 298 CG PHE A 19 3.378 2.660 0.984 1.00 10.00 C ATOM 299 CD1 PHE A 19 4.343 3.230 1.824 1.00 10.00 C ATOM 300 CD2 PHE A 19 2.598 3.479 0.158 1.00 10.00 C ATOM 301 CE1 PHE A 19 4.528 4.617 1.838 1.00 10.00 C ATOM 302 CE2 PHE A 19 2.785 4.866 0.171 1.00 10.00 C ATOM 303 CZ PHE A 19 3.749 5.436 1.011 1.00 10.00 C ATOM 0 H PHE A 19 2.581 -0.346 -0.805 1.00 10.00 H new ATOM 0 HA PHE A 19 4.916 1.249 -0.346 1.00 10.00 H new ATOM 0 HB2 PHE A 19 2.206 0.919 0.541 1.00 10.00 H new ATOM 0 HB3 PHE A 19 3.183 0.775 1.989 1.00 10.00 H new ATOM 0 HD1 PHE A 19 4.945 2.599 2.461 1.00 10.00 H new ATOM 0 HD2 PHE A 19 1.852 3.040 -0.489 1.00 10.00 H new ATOM 0 HE1 PHE A 19 5.272 5.056 2.487 1.00 10.00 H new ATOM 0 HE2 PHE A 19 2.185 5.497 -0.468 1.00 10.00 H new ATOM 0 HZ PHE A 19 3.892 6.506 1.021 1.00 10.00 H new ATOM 313 N LYS A 20 4.754 -1.505 1.434 1.00 10.00 N ATOM 314 CA LYS A 20 5.582 -2.395 2.303 1.00 10.00 C ATOM 315 C LYS A 20 6.929 -2.674 1.618 1.00 10.00 C ATOM 316 O LYS A 20 7.977 -2.591 2.234 1.00 10.00 O ATOM 317 CB LYS A 20 4.762 -3.683 2.439 1.00 10.00 C ATOM 318 CG LYS A 20 5.466 -4.655 3.391 1.00 10.00 C ATOM 319 CD LYS A 20 4.874 -6.057 3.220 1.00 10.00 C ATOM 320 CE LYS A 20 5.532 -6.752 2.021 1.00 10.00 C ATOM 321 NZ LYS A 20 4.628 -7.887 1.679 1.00 10.00 N ATOM 0 H LYS A 20 3.846 -1.887 1.169 1.00 10.00 H new ATOM 0 HA LYS A 20 5.802 -1.954 3.275 1.00 10.00 H new ATOM 0 HB2 LYS A 20 3.765 -3.451 2.815 1.00 10.00 H new ATOM 0 HB3 LYS A 20 4.634 -4.147 1.461 1.00 10.00 H new ATOM 0 HG2 LYS A 20 6.536 -4.673 3.184 1.00 10.00 H new ATOM 0 HG3 LYS A 20 5.347 -4.322 4.422 1.00 10.00 H new ATOM 0 HD2 LYS A 20 5.034 -6.643 4.125 1.00 10.00 H new ATOM 0 HD3 LYS A 20 3.797 -5.992 3.069 1.00 10.00 H new ATOM 0 HE2 LYS A 20 5.639 -6.067 1.180 1.00 10.00 H new ATOM 0 HE3 LYS A 20 6.531 -7.107 2.272 1.00 10.00 H new ATOM 0 HZ1 LYS A 20 5.016 -8.407 0.867 1.00 10.00 H new ATOM 0 HZ2 LYS A 20 4.550 -8.527 2.495 1.00 10.00 H new ATOM 0 HZ3 LYS A 20 3.686 -7.519 1.436 1.00 10.00 H new ATOM 335 N THR A 21 6.906 -2.989 0.342 1.00 10.00 N ATOM 336 CA THR A 21 8.185 -3.258 -0.388 1.00 10.00 C ATOM 337 C THR A 21 8.967 -1.952 -0.562 1.00 10.00 C ATOM 338 O THR A 21 10.181 -1.941 -0.510 1.00 10.00 O ATOM 339 CB THR A 21 7.776 -3.828 -1.755 1.00 10.00 C ATOM 340 OG1 THR A 21 6.630 -4.659 -1.610 1.00 10.00 O ATOM 341 CG2 THR A 21 8.933 -4.648 -2.331 1.00 10.00 C ATOM 0 H THR A 21 6.060 -3.071 -0.222 1.00 10.00 H new ATOM 0 HA THR A 21 8.826 -3.953 0.154 1.00 10.00 H new ATOM 0 HB THR A 21 7.538 -3.006 -2.430 1.00 10.00 H new ATOM 0 HG1 THR A 21 6.373 -5.018 -2.485 1.00 10.00 H new ATOM 0 HG21 THR A 21 8.644 -5.053 -3.301 1.00 10.00 H new ATOM 0 HG22 THR A 21 9.808 -4.009 -2.450 1.00 10.00 H new ATOM 0 HG23 THR A 21 9.172 -5.467 -1.652 1.00 10.00 H new ATOM 349 N TRP A 22 8.275 -0.849 -0.754 1.00 10.00 N ATOM 350 CA TRP A 22 8.970 0.467 -0.913 1.00 10.00 C ATOM 351 C TRP A 22 9.880 0.713 0.292 1.00 10.00 C ATOM 352 O TRP A 22 11.046 1.034 0.150 1.00 10.00 O ATOM 353 CB TRP A 22 7.846 1.507 -0.950 1.00 10.00 C ATOM 354 CG TRP A 22 8.300 2.709 -1.713 1.00 10.00 C ATOM 355 CD1 TRP A 22 8.207 2.861 -3.053 1.00 10.00 C ATOM 356 CD2 TRP A 22 8.915 3.928 -1.203 1.00 10.00 C ATOM 357 NE1 TRP A 22 8.726 4.095 -3.399 1.00 10.00 N ATOM 358 CE2 TRP A 22 9.176 4.790 -2.293 1.00 10.00 C ATOM 359 CE3 TRP A 22 9.269 4.364 0.087 1.00 10.00 C ATOM 360 CZ2 TRP A 22 9.766 6.042 -2.111 1.00 10.00 C ATOM 361 CZ3 TRP A 22 9.863 5.622 0.274 1.00 10.00 C ATOM 362 CH2 TRP A 22 10.111 6.459 -0.823 1.00 10.00 C ATOM 0 H TRP A 22 7.257 -0.807 -0.807 1.00 10.00 H new ATOM 0 HA TRP A 22 9.591 0.508 -1.808 1.00 10.00 H new ATOM 0 HB2 TRP A 22 6.958 1.081 -1.417 1.00 10.00 H new ATOM 0 HB3 TRP A 22 7.567 1.792 0.064 1.00 10.00 H new ATOM 0 HD1 TRP A 22 7.795 2.137 -3.741 1.00 10.00 H new ATOM 0 HE1 TRP A 22 8.771 4.449 -4.354 1.00 10.00 H new ATOM 0 HE3 TRP A 22 9.083 3.727 0.939 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 9.954 6.683 -2.959 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 10.130 5.947 1.269 1.00 10.00 H new ATOM 0 HH2 TRP A 22 10.569 7.426 -0.672 1.00 10.00 H new ATOM 373 N LEU A 23 9.349 0.548 1.479 1.00 10.00 N ATOM 374 CA LEU A 23 10.168 0.750 2.715 1.00 10.00 C ATOM 375 C LEU A 23 11.239 -0.345 2.820 1.00 10.00 C ATOM 376 O LEU A 23 12.347 -0.097 3.256 1.00 10.00 O ATOM 377 CB LEU A 23 9.174 0.650 3.878 1.00 10.00 C ATOM 378 CG LEU A 23 8.678 2.051 4.256 1.00 10.00 C ATOM 379 CD1 LEU A 23 7.580 2.489 3.285 1.00 10.00 C ATOM 380 CD2 LEU A 23 8.114 2.024 5.679 1.00 10.00 C ATOM 0 H LEU A 23 8.379 0.281 1.646 1.00 10.00 H new ATOM 0 HA LEU A 23 10.690 1.707 2.714 1.00 10.00 H new ATOM 0 HB2 LEU A 23 8.331 0.019 3.595 1.00 10.00 H new ATOM 0 HB3 LEU A 23 9.651 0.178 4.737 1.00 10.00 H new ATOM 0 HG LEU A 23 9.509 2.754 4.203 1.00 10.00 H new ATOM 0 HD11 LEU A 23 7.230 3.485 3.557 1.00 10.00 H new ATOM 0 HD12 LEU A 23 7.978 2.509 2.270 1.00 10.00 H new ATOM 0 HD13 LEU A 23 6.748 1.786 3.335 1.00 10.00 H new ATOM 0 HD21 LEU A 23 7.761 3.019 5.949 1.00 10.00 H new ATOM 0 HD22 LEU A 23 7.284 1.319 5.728 1.00 10.00 H new ATOM 0 HD23 LEU A 23 8.895 1.715 6.374 1.00 10.00 H new ATOM 392 N LYS A 24 10.917 -1.553 2.412 1.00 10.00 N ATOM 393 CA LYS A 24 11.918 -2.665 2.473 1.00 10.00 C ATOM 394 C LYS A 24 13.094 -2.361 1.534 1.00 10.00 C ATOM 395 O LYS A 24 14.246 -2.531 1.892 1.00 10.00 O ATOM 396 CB LYS A 24 11.164 -3.916 2.004 1.00 10.00 C ATOM 397 CG LYS A 24 11.284 -5.019 3.060 1.00 10.00 C ATOM 398 CD LYS A 24 12.574 -5.811 2.832 1.00 10.00 C ATOM 399 CE LYS A 24 12.309 -6.955 1.847 1.00 10.00 C ATOM 400 NZ LYS A 24 13.641 -7.291 1.269 1.00 10.00 N ATOM 0 H LYS A 24 10.004 -1.815 2.040 1.00 10.00 H new ATOM 0 HA LYS A 24 12.330 -2.796 3.474 1.00 10.00 H new ATOM 0 HB2 LYS A 24 10.115 -3.677 1.832 1.00 10.00 H new ATOM 0 HB3 LYS A 24 11.571 -4.263 1.054 1.00 10.00 H new ATOM 0 HG2 LYS A 24 11.286 -4.582 4.058 1.00 10.00 H new ATOM 0 HG3 LYS A 24 10.422 -5.684 3.005 1.00 10.00 H new ATOM 0 HD2 LYS A 24 13.351 -5.154 2.441 1.00 10.00 H new ATOM 0 HD3 LYS A 24 12.940 -6.210 3.778 1.00 10.00 H new ATOM 0 HE2 LYS A 24 11.871 -7.816 2.352 1.00 10.00 H new ATOM 0 HE3 LYS A 24 11.608 -6.651 1.070 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 13.537 -8.067 0.585 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 14.031 -6.456 0.788 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 14.286 -7.585 2.030 1.00 10.00 H new ATOM 414 N ALA A 25 12.804 -1.903 0.339 1.00 10.00 N ATOM 415 CA ALA A 25 13.892 -1.569 -0.633 1.00 10.00 C ATOM 416 C ALA A 25 14.725 -0.389 -0.112 1.00 10.00 C ATOM 417 O ALA A 25 15.921 -0.330 -0.318 1.00 10.00 O ATOM 418 CB ALA A 25 13.170 -1.186 -1.928 1.00 10.00 C ATOM 0 H ALA A 25 11.857 -1.746 -0.005 1.00 10.00 H new ATOM 0 HA ALA A 25 14.579 -2.402 -0.783 1.00 10.00 H new ATOM 0 HB1 ALA A 25 13.904 -0.927 -2.691 1.00 10.00 H new ATOM 0 HB2 ALA A 25 12.570 -2.028 -2.273 1.00 10.00 H new ATOM 0 HB3 ALA A 25 12.521 -0.330 -1.743 1.00 10.00 H new ATOM 424 N LYS A 26 14.099 0.543 0.571 1.00 10.00 N ATOM 425 CA LYS A 26 14.853 1.713 1.118 1.00 10.00 C ATOM 426 C LYS A 26 15.797 1.256 2.241 1.00 10.00 C ATOM 427 O LYS A 26 16.852 1.827 2.443 1.00 10.00 O ATOM 428 CB LYS A 26 13.781 2.661 1.666 1.00 10.00 C ATOM 429 CG LYS A 26 14.327 4.091 1.698 1.00 10.00 C ATOM 430 CD LYS A 26 13.161 5.084 1.727 1.00 10.00 C ATOM 431 CE LYS A 26 13.513 6.321 0.892 1.00 10.00 C ATOM 432 NZ LYS A 26 13.461 7.468 1.845 1.00 10.00 N ATOM 0 H LYS A 26 13.099 0.542 0.772 1.00 10.00 H new ATOM 0 HA LYS A 26 15.471 2.196 0.361 1.00 10.00 H new ATOM 0 HB2 LYS A 26 12.888 2.616 1.042 1.00 10.00 H new ATOM 0 HB3 LYS A 26 13.486 2.351 2.668 1.00 10.00 H new ATOM 0 HG2 LYS A 26 14.959 4.231 2.575 1.00 10.00 H new ATOM 0 HG3 LYS A 26 14.951 4.273 0.823 1.00 10.00 H new ATOM 0 HD2 LYS A 26 12.260 4.613 1.334 1.00 10.00 H new ATOM 0 HD3 LYS A 26 12.946 5.377 2.755 1.00 10.00 H new ATOM 0 HE2 LYS A 26 14.503 6.225 0.445 1.00 10.00 H new ATOM 0 HE3 LYS A 26 12.806 6.457 0.074 1.00 10.00 H new ATOM 0 HZ1 LYS A 26 13.692 8.348 1.342 1.00 10.00 H new ATOM 0 HZ2 LYS A 26 12.506 7.540 2.249 1.00 10.00 H new ATOM 0 HZ3 LYS A 26 14.150 7.316 2.609 1.00 10.00 H new ATOM 446 N LEU A 27 15.425 0.226 2.967 1.00 10.00 N ATOM 447 CA LEU A 27 16.300 -0.277 4.072 1.00 10.00 C ATOM 448 C LEU A 27 17.505 -1.023 3.482 1.00 10.00 C ATOM 449 O LEU A 27 18.638 -0.648 3.709 1.00 10.00 O ATOM 450 CB LEU A 27 15.413 -1.229 4.885 1.00 10.00 C ATOM 451 CG LEU A 27 15.999 -1.407 6.289 1.00 10.00 C ATOM 452 CD1 LEU A 27 14.868 -1.671 7.285 1.00 10.00 C ATOM 453 CD2 LEU A 27 16.966 -2.595 6.293 1.00 10.00 C ATOM 0 H LEU A 27 14.552 -0.287 2.840 1.00 10.00 H new ATOM 0 HA LEU A 27 16.695 0.528 4.692 1.00 10.00 H new ATOM 0 HB2 LEU A 27 14.400 -0.831 4.951 1.00 10.00 H new ATOM 0 HB3 LEU A 27 15.344 -2.195 4.384 1.00 10.00 H new ATOM 0 HG LEU A 27 16.533 -0.501 6.575 1.00 10.00 H new ATOM 0 HD11 LEU A 27 15.285 -1.798 8.284 1.00 10.00 H new ATOM 0 HD12 LEU A 27 14.178 -0.827 7.284 1.00 10.00 H new ATOM 0 HD13 LEU A 27 14.334 -2.577 6.997 1.00 10.00 H new ATOM 0 HD21 LEU A 27 17.383 -2.721 7.292 1.00 10.00 H new ATOM 0 HD22 LEU A 27 16.431 -3.500 6.006 1.00 10.00 H new ATOM 0 HD23 LEU A 27 17.773 -2.410 5.584 1.00 10.00 H new ATOM 465 N MET A 28 17.254 -2.069 2.718 1.00 10.00 N ATOM 466 CA MET A 28 18.361 -2.863 2.083 1.00 10.00 C ATOM 467 C MET A 28 19.202 -3.598 3.145 1.00 10.00 C ATOM 468 O MET A 28 19.521 -3.046 4.182 1.00 10.00 O ATOM 469 CB MET A 28 19.216 -1.843 1.320 1.00 10.00 C ATOM 470 CG MET A 28 20.011 -2.555 0.224 1.00 10.00 C ATOM 471 SD MET A 28 20.996 -1.342 -0.692 1.00 10.00 S ATOM 472 CE MET A 28 21.933 -2.521 -1.695 1.00 10.00 C ATOM 0 H MET A 28 16.316 -2.409 2.506 1.00 10.00 H new ATOM 0 HA MET A 28 17.966 -3.634 1.422 1.00 10.00 H new ATOM 0 HB2 MET A 28 18.579 -1.076 0.880 1.00 10.00 H new ATOM 0 HB3 MET A 28 19.896 -1.338 2.006 1.00 10.00 H new ATOM 0 HG2 MET A 28 20.662 -3.310 0.664 1.00 10.00 H new ATOM 0 HG3 MET A 28 19.333 -3.074 -0.453 1.00 10.00 H new ATOM 0 HE1 MET A 28 22.617 -1.980 -2.348 1.00 10.00 H new ATOM 0 HE2 MET A 28 22.502 -3.183 -1.042 1.00 10.00 H new ATOM 0 HE3 MET A 28 21.245 -3.112 -2.300 1.00 10.00 H new ATOM 482 N PRO A 29 19.538 -4.833 2.844 1.00 10.00 N ATOM 483 CA PRO A 29 20.352 -5.653 3.779 1.00 10.00 C ATOM 484 C PRO A 29 21.814 -5.180 3.790 1.00 10.00 C ATOM 485 O PRO A 29 22.152 -4.158 3.221 1.00 10.00 O ATOM 486 CB PRO A 29 20.241 -7.066 3.210 1.00 10.00 C ATOM 487 CG PRO A 29 19.935 -6.879 1.758 1.00 10.00 C ATOM 488 CD PRO A 29 19.193 -5.575 1.621 1.00 10.00 C ATOM 0 HA PRO A 29 20.008 -5.585 4.811 1.00 10.00 H new ATOM 0 HB2 PRO A 29 21.169 -7.621 3.349 1.00 10.00 H new ATOM 0 HB3 PRO A 29 19.454 -7.631 3.709 1.00 10.00 H new ATOM 0 HG2 PRO A 29 20.853 -6.862 1.171 1.00 10.00 H new ATOM 0 HG3 PRO A 29 19.332 -7.706 1.383 1.00 10.00 H new ATOM 0 HD2 PRO A 29 19.501 -5.034 0.727 1.00 10.00 H new ATOM 0 HD3 PRO A 29 18.118 -5.735 1.542 1.00 10.00 H new ATOM 496 N GLN A 30 22.680 -5.920 4.435 1.00 10.00 N ATOM 497 CA GLN A 30 24.122 -5.524 4.490 1.00 10.00 C ATOM 498 C GLN A 30 24.995 -6.567 3.778 1.00 10.00 C ATOM 499 O GLN A 30 24.496 -7.525 3.214 1.00 10.00 O ATOM 500 CB GLN A 30 24.461 -5.466 5.984 1.00 10.00 C ATOM 501 CG GLN A 30 23.804 -4.234 6.616 1.00 10.00 C ATOM 502 CD GLN A 30 24.721 -3.018 6.451 1.00 10.00 C ATOM 503 OE1 GLN A 30 25.486 -2.695 7.338 1.00 10.00 O ATOM 504 NE2 GLN A 30 24.673 -2.322 5.348 1.00 10.00 N ATOM 0 H GLN A 30 22.451 -6.783 4.927 1.00 10.00 H new ATOM 0 HA GLN A 30 24.305 -4.572 3.992 1.00 10.00 H new ATOM 0 HB2 GLN A 30 24.112 -6.371 6.481 1.00 10.00 H new ATOM 0 HB3 GLN A 30 25.542 -5.424 6.120 1.00 10.00 H new ATOM 0 HG2 GLN A 30 22.840 -4.042 6.144 1.00 10.00 H new ATOM 0 HG3 GLN A 30 23.611 -4.415 7.673 1.00 10.00 H new ATOM 0 HE21 GLN A 30 24.031 -2.592 4.602 1.00 10.00 H new ATOM 0 HE22 GLN A 30 25.277 -1.508 5.232 1.00 10.00 H new ATOM 513 N LEU A 31 26.292 -6.386 3.802 1.00 10.00 N ATOM 514 CA LEU A 31 27.205 -7.363 3.130 1.00 10.00 C ATOM 515 C LEU A 31 27.759 -8.363 4.152 1.00 10.00 C ATOM 516 O LEU A 31 27.743 -9.547 3.858 1.00 10.00 O ATOM 517 CB LEU A 31 28.336 -6.514 2.540 1.00 10.00 C ATOM 518 CG LEU A 31 27.916 -5.974 1.170 1.00 10.00 C ATOM 519 CD1 LEU A 31 28.377 -4.523 1.027 1.00 10.00 C ATOM 520 CD2 LEU A 31 28.557 -6.823 0.069 1.00 10.00 C ATOM 521 OXT LEU A 31 28.191 -7.930 5.209 1.00 10.00 O ATOM 0 H LEU A 31 26.759 -5.603 4.259 1.00 10.00 H new ATOM 0 HA LEU A 31 26.692 -7.945 2.364 1.00 10.00 H new ATOM 0 HB2 LEU A 31 28.571 -5.688 3.211 1.00 10.00 H new ATOM 0 HB3 LEU A 31 29.241 -7.113 2.443 1.00 10.00 H new ATOM 0 HG LEU A 31 26.831 -6.020 1.081 1.00 10.00 H new ATOM 0 HD11 LEU A 31 28.077 -4.140 0.051 1.00 10.00 H new ATOM 0 HD12 LEU A 31 27.921 -3.917 1.810 1.00 10.00 H new ATOM 0 HD13 LEU A 31 29.462 -4.475 1.118 1.00 10.00 H new ATOM 0 HD21 LEU A 31 28.259 -6.439 -0.907 1.00 10.00 H new ATOM 0 HD22 LEU A 31 29.642 -6.778 0.160 1.00 10.00 H new ATOM 0 HD23 LEU A 31 28.227 -7.857 0.169 1.00 10.00 H new TER 533 LEU A 31