USER MOD reduce.3.24.130724 H: found=0, std=0, add=258, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 205 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 Set 1.1: A 6 GLN : amide:sc= 0.124 K(o=0.28,f=-1.1) USER MOD Set 1.2: A 9 LYS NZ :NH3+ -175:sc= 0.153 (180deg=0) USER MOD Single : A 1 SER N :NH3+ 152:sc= 0.00407 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.00362 USER MOD Single : A 2 GLN : amide:sc= -0.0492 X(o=-0.049,f=-0.52) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 LYS NZ :NH3+ -105:sc= 0.692 (180deg=-0.222) USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 149:sc= -0.0268 (180deg=-1.56!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -2.337 16.724 -20.289 1.00 20.23 N ATOM 2 CA SER A 1 -2.899 16.277 -19.021 1.00 22.42 C ATOM 3 C SER A 1 -1.999 15.235 -18.363 1.00 24.24 C ATOM 4 O SER A 1 -1.819 14.137 -18.888 1.00 74.52 O ATOM 5 CB SER A 1 -4.299 15.695 -19.236 1.00 70.21 C ATOM 6 OG SER A 1 -5.165 16.654 -19.818 1.00 65.24 O ATOM 0 H1 SER A 1 -3.105 17.027 -20.922 1.00 20.23 H new ATOM 0 H2 SER A 1 -1.692 17.522 -20.121 1.00 20.23 H new ATOM 0 H3 SER A 1 -1.812 15.942 -20.731 1.00 20.23 H new ATOM 0 HA SER A 1 -2.969 17.140 -18.359 1.00 22.42 H new ATOM 0 HB2 SER A 1 -4.237 14.818 -19.880 1.00 70.21 H new ATOM 0 HB3 SER A 1 -4.708 15.362 -18.282 1.00 70.21 H new ATOM 0 HG SER A 1 -6.052 16.258 -19.947 1.00 65.24 H new ATOM 11 N GLN A 2 -1.437 15.590 -17.212 1.00 45.43 N ATOM 12 CA GLN A 2 -0.556 14.686 -16.483 1.00 14.41 C ATOM 13 C GLN A 2 -0.943 14.618 -15.010 1.00 33.32 C ATOM 14 O GLN A 2 -1.356 15.615 -14.420 1.00 3.31 O ATOM 15 CB GLN A 2 0.899 15.140 -16.619 1.00 32.44 C ATOM 16 CG GLN A 2 1.186 16.474 -15.946 1.00 25.24 C ATOM 17 CD GLN A 2 1.971 17.419 -16.835 1.00 25.03 C ATOM 18 OE1 GLN A 2 2.782 16.988 -17.656 1.00 53.12 O ATOM 19 NE2 GLN A 2 1.733 18.715 -16.677 1.00 63.52 N ATOM 0 H GLN A 2 -1.576 16.496 -16.765 1.00 45.43 H new ATOM 0 HA GLN A 2 -0.662 13.690 -16.914 1.00 14.41 H new ATOM 0 HB2 GLN A 2 1.550 14.378 -16.190 1.00 32.44 H new ATOM 0 HB3 GLN A 2 1.150 15.215 -17.677 1.00 32.44 H new ATOM 0 HG2 GLN A 2 0.244 16.945 -15.664 1.00 25.24 H new ATOM 0 HG3 GLN A 2 1.743 16.300 -15.026 1.00 25.24 H new ATOM 0 HE21 GLN A 2 1.052 19.028 -15.985 1.00 63.52 H new ATOM 0 HE22 GLN A 2 2.231 19.398 -17.248 1.00 63.52 H new ATOM 26 N GLU A 3 -0.808 13.433 -14.422 1.00 52.11 N ATOM 27 CA GLU A 3 -1.147 13.235 -13.017 1.00 73.52 C ATOM 28 C GLU A 3 0.043 12.670 -12.246 1.00 72.20 C ATOM 29 O GLU A 3 0.970 12.116 -12.834 1.00 62.44 O ATOM 30 CB GLU A 3 -2.347 12.295 -12.886 1.00 14.41 C ATOM 31 CG GLU A 3 -2.211 11.018 -13.698 1.00 32.41 C ATOM 32 CD GLU A 3 -2.577 9.780 -12.904 1.00 30.12 C ATOM 33 OE1 GLU A 3 -1.653 9.065 -12.462 1.00 21.14 O ATOM 34 OE2 GLU A 3 -3.786 9.525 -12.725 1.00 51.31 O ATOM 0 H GLU A 3 -0.467 12.597 -14.896 1.00 52.11 H new ATOM 0 HA GLU A 3 -1.407 14.204 -12.592 1.00 73.52 H new ATOM 0 HB2 GLU A 3 -2.482 12.035 -11.836 1.00 14.41 H new ATOM 0 HB3 GLU A 3 -3.247 12.822 -13.202 1.00 14.41 H new ATOM 0 HG2 GLU A 3 -2.850 11.082 -14.579 1.00 32.41 H new ATOM 0 HG3 GLU A 3 -1.185 10.926 -14.055 1.00 32.41 H new ATOM 39 N GLN A 4 0.006 12.815 -10.925 1.00 63.22 N ATOM 40 CA GLN A 4 1.081 12.320 -10.073 1.00 12.35 C ATOM 41 C GLN A 4 0.688 12.397 -8.601 1.00 24.53 C ATOM 42 O GLN A 4 1.502 12.756 -7.750 1.00 34.34 O ATOM 43 CB GLN A 4 2.362 13.122 -10.314 1.00 41.33 C ATOM 44 CG GLN A 4 2.201 14.613 -10.067 1.00 54.21 C ATOM 45 CD GLN A 4 3.526 15.350 -10.062 1.00 41.23 C ATOM 46 OE1 GLN A 4 3.876 16.015 -9.086 1.00 73.35 O ATOM 47 NE2 GLN A 4 4.272 15.235 -11.155 1.00 23.12 N ATOM 0 H GLN A 4 -0.756 13.271 -10.422 1.00 63.22 H new ATOM 0 HA GLN A 4 1.261 11.276 -10.328 1.00 12.35 H new ATOM 0 HB2 GLN A 4 3.149 12.738 -9.665 1.00 41.33 H new ATOM 0 HB3 GLN A 4 2.691 12.966 -11.341 1.00 41.33 H new ATOM 0 HG2 GLN A 4 1.556 15.037 -10.837 1.00 54.21 H new ATOM 0 HG3 GLN A 4 1.700 14.767 -9.111 1.00 54.21 H new ATOM 0 HE21 GLN A 4 3.943 14.674 -11.940 1.00 23.12 H new ATOM 0 HE22 GLN A 4 5.174 15.708 -11.209 1.00 23.12 H new ATOM 54 N ARG A 5 -0.563 12.057 -8.309 1.00 24.24 N ATOM 55 CA ARG A 5 -1.063 12.090 -6.940 1.00 44.30 C ATOM 56 C ARG A 5 -1.089 10.687 -6.338 1.00 24.55 C ATOM 57 O ARG A 5 -2.024 10.327 -5.623 1.00 51.44 O ATOM 58 CB ARG A 5 -2.466 12.698 -6.902 1.00 4.14 C ATOM 59 CG ARG A 5 -2.800 13.378 -5.584 1.00 0.41 C ATOM 60 CD ARG A 5 -4.262 13.788 -5.523 1.00 24.14 C ATOM 61 NE ARG A 5 -5.119 12.695 -5.073 1.00 54.10 N ATOM 62 CZ ARG A 5 -6.445 12.766 -5.036 1.00 32.21 C ATOM 63 NH1 ARG A 5 -7.062 13.875 -5.422 1.00 2.14 N ATOM 64 NH2 ARG A 5 -7.155 11.729 -4.613 1.00 62.22 N ATOM 0 H ARG A 5 -1.248 11.756 -9.002 1.00 24.24 H new ATOM 0 HA ARG A 5 -0.390 12.710 -6.348 1.00 44.30 H new ATOM 0 HB2 ARG A 5 -2.560 13.424 -7.710 1.00 4.14 H new ATOM 0 HB3 ARG A 5 -3.198 11.913 -7.092 1.00 4.14 H new ATOM 0 HG2 ARG A 5 -2.576 12.703 -4.758 1.00 0.41 H new ATOM 0 HG3 ARG A 5 -2.169 14.258 -5.457 1.00 0.41 H new ATOM 0 HD2 ARG A 5 -4.373 14.637 -4.848 1.00 24.14 H new ATOM 0 HD3 ARG A 5 -4.587 14.121 -6.509 1.00 24.14 H new ATOM 0 HE ARG A 5 -4.675 11.828 -4.770 1.00 54.10 H new ATOM 0 HH11 ARG A 5 -6.518 14.674 -5.748 1.00 2.14 H new ATOM 0 HH12 ARG A 5 -8.080 13.929 -5.393 1.00 2.14 H new ATOM 0 HH21 ARG A 5 -6.683 10.875 -4.315 1.00 62.22 H new ATOM 0 HH22 ARG A 5 -8.173 11.785 -4.585 1.00 62.22 H new ATOM 75 N GLN A 6 -0.058 9.903 -6.633 1.00 43.01 N ATOM 76 CA GLN A 6 0.036 8.541 -6.121 1.00 41.20 C ATOM 77 C GLN A 6 0.490 8.536 -4.666 1.00 73.21 C ATOM 78 O GLN A 6 1.067 9.510 -4.181 1.00 30.24 O ATOM 79 CB GLN A 6 1.006 7.719 -6.973 1.00 64.51 C ATOM 80 CG GLN A 6 0.339 7.008 -8.140 1.00 0.03 C ATOM 81 CD GLN A 6 0.635 7.667 -9.472 1.00 2.42 C ATOM 82 OE1 GLN A 6 1.734 8.177 -9.694 1.00 32.32 O ATOM 83 NE2 GLN A 6 -0.345 7.660 -10.368 1.00 71.04 N ATOM 0 H GLN A 6 0.724 10.187 -7.223 1.00 43.01 H new ATOM 0 HA GLN A 6 -0.955 8.091 -6.174 1.00 41.20 H new ATOM 0 HB2 GLN A 6 1.786 8.376 -7.357 1.00 64.51 H new ATOM 0 HB3 GLN A 6 1.496 6.979 -6.340 1.00 64.51 H new ATOM 0 HG2 GLN A 6 0.676 5.972 -8.169 1.00 0.03 H new ATOM 0 HG3 GLN A 6 -0.739 6.989 -7.980 1.00 0.03 H new ATOM 0 HE21 GLN A 6 -1.240 7.226 -10.142 1.00 71.04 H new ATOM 0 HE22 GLN A 6 -0.203 8.089 -11.283 1.00 71.04 H new ATOM 90 N CYS A 7 0.225 7.435 -3.972 1.00 60.03 N ATOM 91 CA CYS A 7 0.606 7.302 -2.571 1.00 74.31 C ATOM 92 C CYS A 7 1.987 6.668 -2.439 1.00 41.34 C ATOM 93 O CYS A 7 2.873 7.212 -1.781 1.00 64.53 O ATOM 94 CB CYS A 7 -0.428 6.463 -1.817 1.00 2.41 C ATOM 95 SG CYS A 7 -2.154 6.808 -2.288 1.00 33.30 S ATOM 0 H CYS A 7 -0.253 6.621 -4.357 1.00 60.03 H new ATOM 0 HA CYS A 7 0.642 8.300 -2.135 1.00 74.31 H new ATOM 0 HB2 CYS A 7 -0.220 5.407 -1.991 1.00 2.41 H new ATOM 0 HB3 CYS A 7 -0.313 6.639 -0.748 1.00 2.41 H new ATOM 99 N LYS A 8 2.163 5.512 -3.070 1.00 50.45 N ATOM 100 CA LYS A 8 3.435 4.801 -3.028 1.00 14.15 C ATOM 101 C LYS A 8 3.539 3.801 -4.174 1.00 2.44 C ATOM 102 O LYS A 8 2.931 2.733 -4.137 1.00 25.42 O ATOM 103 CB LYS A 8 3.593 4.076 -1.689 1.00 45.25 C ATOM 104 CG LYS A 8 4.198 4.941 -0.596 1.00 75.25 C ATOM 105 CD LYS A 8 3.151 5.376 0.416 1.00 73.21 C ATOM 106 CE LYS A 8 3.402 4.753 1.780 1.00 61.44 C ATOM 107 NZ LYS A 8 4.417 5.515 2.560 1.00 64.31 N ATOM 0 H LYS A 8 1.439 5.047 -3.618 1.00 50.45 H new ATOM 0 HA LYS A 8 4.235 5.533 -3.135 1.00 14.15 H new ATOM 0 HB2 LYS A 8 2.616 3.721 -1.360 1.00 45.25 H new ATOM 0 HB3 LYS A 8 4.220 3.196 -1.834 1.00 45.25 H new ATOM 0 HG2 LYS A 8 4.988 4.387 -0.088 1.00 75.25 H new ATOM 0 HG3 LYS A 8 4.662 5.821 -1.042 1.00 75.25 H new ATOM 0 HD2 LYS A 8 3.158 6.462 0.504 1.00 73.21 H new ATOM 0 HD3 LYS A 8 2.160 5.091 0.061 1.00 73.21 H new ATOM 0 HE2 LYS A 8 2.467 4.715 2.340 1.00 61.44 H new ATOM 0 HE3 LYS A 8 3.739 3.724 1.653 1.00 61.44 H new ATOM 0 HZ1 LYS A 8 5.316 4.993 2.563 1.00 64.31 H new ATOM 0 HZ2 LYS A 8 4.560 6.449 2.125 1.00 64.31 H new ATOM 0 HZ3 LYS A 8 4.084 5.636 3.538 1.00 64.31 H new ATOM 117 N LYS A 9 4.316 4.155 -5.193 1.00 61.20 N ATOM 118 CA LYS A 9 4.503 3.287 -6.349 1.00 45.51 C ATOM 119 C LYS A 9 5.556 2.220 -6.065 1.00 53.34 C ATOM 120 O LYS A 9 6.033 2.091 -4.938 1.00 41.01 O ATOM 121 CB LYS A 9 4.917 4.113 -7.571 1.00 23.31 C ATOM 122 CG LYS A 9 3.957 5.246 -7.891 1.00 74.25 C ATOM 123 CD LYS A 9 3.543 5.229 -9.353 1.00 43.40 C ATOM 124 CE LYS A 9 4.443 6.117 -10.198 1.00 12.14 C ATOM 125 NZ LYS A 9 3.765 6.567 -11.445 1.00 0.04 N ATOM 0 H LYS A 9 4.826 5.037 -5.241 1.00 61.20 H new ATOM 0 HA LYS A 9 3.555 2.791 -6.556 1.00 45.51 H new ATOM 0 HB2 LYS A 9 5.911 4.527 -7.400 1.00 23.31 H new ATOM 0 HB3 LYS A 9 4.991 3.455 -8.437 1.00 23.31 H new ATOM 0 HG2 LYS A 9 3.072 5.163 -7.260 1.00 74.25 H new ATOM 0 HG3 LYS A 9 4.428 6.201 -7.656 1.00 74.25 H new ATOM 0 HD2 LYS A 9 3.580 4.207 -9.731 1.00 43.40 H new ATOM 0 HD3 LYS A 9 2.510 5.565 -9.444 1.00 43.40 H new ATOM 0 HE2 LYS A 9 4.746 6.987 -9.615 1.00 12.14 H new ATOM 0 HE3 LYS A 9 5.352 5.573 -10.455 1.00 12.14 H new ATOM 0 HZ1 LYS A 9 4.438 7.099 -12.033 1.00 0.04 H new ATOM 0 HZ2 LYS A 9 3.423 5.739 -11.973 1.00 0.04 H new ATOM 0 HZ3 LYS A 9 2.960 7.178 -11.201 1.00 0.04 H new ATOM 135 N ILE A 10 5.913 1.460 -7.094 1.00 40.30 N ATOM 136 CA ILE A 10 6.911 0.406 -6.955 1.00 72.53 C ATOM 137 C ILE A 10 8.259 0.978 -6.528 1.00 23.42 C ATOM 138 O ILE A 10 8.835 1.816 -7.221 1.00 32.55 O ATOM 139 CB ILE A 10 7.090 -0.378 -8.268 1.00 11.12 C ATOM 140 CG1 ILE A 10 5.742 -0.912 -8.757 1.00 12.50 C ATOM 141 CG2 ILE A 10 8.079 -1.517 -8.074 1.00 24.13 C ATOM 142 CD1 ILE A 10 5.033 -1.781 -7.742 1.00 50.10 C ATOM 0 H ILE A 10 5.526 1.554 -8.033 1.00 40.30 H new ATOM 0 HA ILE A 10 6.547 -0.273 -6.184 1.00 72.53 H new ATOM 0 HB ILE A 10 7.488 0.297 -9.026 1.00 11.12 H new ATOM 0 HG12 ILE A 10 5.099 -0.071 -9.015 1.00 12.50 H new ATOM 0 HG13 ILE A 10 5.897 -1.487 -9.670 1.00 12.50 H new ATOM 0 HG21 ILE A 10 8.195 -2.062 -9.011 1.00 24.13 H new ATOM 0 HG22 ILE A 10 9.044 -1.113 -7.768 1.00 24.13 H new ATOM 0 HG23 ILE A 10 7.708 -2.194 -7.304 1.00 24.13 H new ATOM 0 HD11 ILE A 10 4.085 -2.124 -8.156 1.00 50.10 H new ATOM 0 HD12 ILE A 10 5.657 -2.642 -7.501 1.00 50.10 H new ATOM 0 HD13 ILE A 10 4.846 -1.204 -6.836 1.00 50.10 H new ATOM 153 N GLY A 11 8.757 0.518 -5.385 1.00 3.24 N ATOM 154 CA GLY A 11 10.034 0.993 -4.888 1.00 50.44 C ATOM 155 C GLY A 11 9.883 1.949 -3.721 1.00 32.53 C ATOM 156 O GLY A 11 10.870 2.478 -3.212 1.00 22.21 O ATOM 0 H GLY A 11 8.298 -0.176 -4.794 1.00 3.24 H new ATOM 0 HA2 GLY A 11 10.640 0.141 -4.580 1.00 50.44 H new ATOM 0 HA3 GLY A 11 10.572 1.491 -5.695 1.00 50.44 H new ATOM 160 N GLU A 12 8.643 2.172 -3.297 1.00 11.04 N ATOM 161 CA GLU A 12 8.366 3.072 -2.185 1.00 72.23 C ATOM 162 C GLU A 12 8.367 2.317 -0.859 1.00 10.32 C ATOM 163 O GLU A 12 8.489 1.091 -0.830 1.00 45.23 O ATOM 164 CB GLU A 12 7.019 3.769 -2.387 1.00 14.51 C ATOM 165 CG GLU A 12 7.005 4.739 -3.556 1.00 22.04 C ATOM 166 CD GLU A 12 8.303 5.511 -3.691 1.00 61.32 C ATOM 167 OE1 GLU A 12 9.057 5.239 -4.649 1.00 30.33 O ATOM 168 OE2 GLU A 12 8.565 6.385 -2.839 1.00 54.22 O ATOM 0 H GLU A 12 7.814 1.741 -3.707 1.00 11.04 H new ATOM 0 HA GLU A 12 9.155 3.824 -2.155 1.00 72.23 H new ATOM 0 HB2 GLU A 12 6.249 3.014 -2.543 1.00 14.51 H new ATOM 0 HB3 GLU A 12 6.758 4.307 -1.476 1.00 14.51 H new ATOM 0 HG2 GLU A 12 6.817 4.188 -4.478 1.00 22.04 H new ATOM 0 HG3 GLU A 12 6.181 5.441 -3.430 1.00 22.04 H new ATOM 173 N HIS A 13 8.230 3.056 0.237 1.00 34.15 N ATOM 174 CA HIS A 13 8.214 2.456 1.567 1.00 13.40 C ATOM 175 C HIS A 13 6.792 2.386 2.115 1.00 24.02 C ATOM 176 O HIS A 13 5.989 3.297 1.905 1.00 41.11 O ATOM 177 CB HIS A 13 9.102 3.256 2.520 1.00 24.43 C ATOM 178 CG HIS A 13 9.359 2.562 3.823 1.00 65.33 C ATOM 179 ND1 HIS A 13 8.561 2.729 4.935 1.00 41.43 N ATOM 180 CD2 HIS A 13 10.331 1.693 4.185 1.00 32.34 C ATOM 181 CE1 HIS A 13 9.033 1.996 5.926 1.00 21.35 C ATOM 182 NE2 HIS A 13 10.107 1.356 5.498 1.00 4.21 N ATOM 0 H HIS A 13 8.128 4.071 0.231 1.00 34.15 H new ATOM 0 HA HIS A 13 8.603 1.441 1.486 1.00 13.40 H new ATOM 0 HB2 HIS A 13 10.055 3.459 2.032 1.00 24.43 H new ATOM 0 HB3 HIS A 13 8.633 4.220 2.717 1.00 24.43 H new ATOM 0 HD2 HIS A 13 11.133 1.332 3.559 1.00 32.34 H new ATOM 0 HE1 HIS A 13 8.613 1.930 6.919 1.00 21.35 H new ATOM 0 HE2 HIS A 13 10.677 0.716 6.052 1.00 4.21 H new ATOM 189 N CYS A 14 6.486 1.300 2.816 1.00 31.41 N ATOM 190 CA CYS A 14 5.160 1.110 3.393 1.00 10.24 C ATOM 191 C CYS A 14 5.164 -0.043 4.394 1.00 50.24 C ATOM 192 O CYS A 14 5.881 -1.028 4.220 1.00 1.54 O ATOM 193 CB CYS A 14 4.135 0.840 2.291 1.00 4.14 C ATOM 194 SG CYS A 14 4.663 -0.409 1.074 1.00 62.05 S ATOM 0 H CYS A 14 7.138 0.537 2.999 1.00 31.41 H new ATOM 0 HA CYS A 14 4.885 2.024 3.919 1.00 10.24 H new ATOM 0 HB2 CYS A 14 3.202 0.513 2.750 1.00 4.14 H new ATOM 0 HB3 CYS A 14 3.924 1.773 1.769 1.00 4.14 H new ATOM 198 N TYR A 15 4.356 0.089 5.440 1.00 63.22 N ATOM 199 CA TYR A 15 4.266 -0.940 6.470 1.00 52.43 C ATOM 200 C TYR A 15 3.213 -1.982 6.109 1.00 65.00 C ATOM 201 O TYR A 15 3.355 -3.162 6.431 1.00 64.51 O ATOM 202 CB TYR A 15 3.931 -0.308 7.823 1.00 54.43 C ATOM 203 CG TYR A 15 4.937 0.726 8.275 1.00 71.20 C ATOM 204 CD1 TYR A 15 6.141 0.346 8.856 1.00 24.45 C ATOM 205 CD2 TYR A 15 4.684 2.084 8.121 1.00 52.01 C ATOM 206 CE1 TYR A 15 7.064 1.287 9.270 1.00 55.55 C ATOM 207 CE2 TYR A 15 5.602 3.031 8.531 1.00 75.04 C ATOM 208 CZ TYR A 15 6.790 2.628 9.105 1.00 34.32 C ATOM 209 OH TYR A 15 7.705 3.570 9.516 1.00 52.33 O ATOM 0 H TYR A 15 3.754 0.897 5.597 1.00 63.22 H new ATOM 0 HA TYR A 15 5.234 -1.437 6.537 1.00 52.43 H new ATOM 0 HB2 TYR A 15 2.947 0.157 7.764 1.00 54.43 H new ATOM 0 HB3 TYR A 15 3.867 -1.094 8.576 1.00 54.43 H new ATOM 0 HD1 TYR A 15 6.359 -0.704 8.986 1.00 24.45 H new ATOM 0 HD2 TYR A 15 3.755 2.404 7.674 1.00 52.01 H new ATOM 0 HE1 TYR A 15 7.994 0.974 9.720 1.00 55.55 H new ATOM 0 HE2 TYR A 15 5.391 4.082 8.403 1.00 75.04 H new ATOM 0 HH TYR A 15 7.359 4.467 9.327 1.00 52.33 H new ATOM 218 N VAL A 16 2.157 -1.538 5.435 1.00 5.31 N ATOM 219 CA VAL A 16 1.079 -2.432 5.027 1.00 50.32 C ATOM 220 C VAL A 16 0.677 -2.181 3.578 1.00 14.41 C ATOM 221 O VAL A 16 1.186 -1.266 2.931 1.00 52.01 O ATOM 222 CB VAL A 16 -0.159 -2.267 5.928 1.00 40.21 C ATOM 223 CG1 VAL A 16 0.093 -2.877 7.298 1.00 22.04 C ATOM 224 CG2 VAL A 16 -0.536 -0.798 6.050 1.00 52.25 C ATOM 0 H VAL A 16 2.025 -0.565 5.160 1.00 5.31 H new ATOM 0 HA VAL A 16 1.457 -3.450 5.126 1.00 50.32 H new ATOM 0 HB VAL A 16 -0.994 -2.796 5.470 1.00 40.21 H new ATOM 0 HG11 VAL A 16 -0.793 -2.751 7.921 1.00 22.04 H new ATOM 0 HG12 VAL A 16 0.312 -3.939 7.189 1.00 22.04 H new ATOM 0 HG13 VAL A 16 0.941 -2.379 7.768 1.00 22.04 H new ATOM 0 HG21 VAL A 16 -1.413 -0.699 6.690 1.00 52.25 H new ATOM 0 HG22 VAL A 16 0.295 -0.244 6.486 1.00 52.25 H new ATOM 0 HG23 VAL A 16 -0.761 -0.397 5.062 1.00 52.25 H new ATOM 234 N ALA A 17 -0.240 -3.000 3.074 1.00 54.22 N ATOM 235 CA ALA A 17 -0.713 -2.866 1.701 1.00 71.23 C ATOM 236 C ALA A 17 -1.537 -1.595 1.527 1.00 11.43 C ATOM 237 O ALA A 17 -1.387 -0.878 0.536 1.00 13.55 O ATOM 238 CB ALA A 17 -1.530 -4.086 1.304 1.00 54.11 C ATOM 0 H ALA A 17 -0.670 -3.764 3.596 1.00 54.22 H new ATOM 0 HA ALA A 17 0.156 -2.796 1.047 1.00 71.23 H new ATOM 0 HB1 ALA A 17 -1.877 -3.973 0.277 1.00 54.11 H new ATOM 0 HB2 ALA A 17 -0.911 -4.980 1.382 1.00 54.11 H new ATOM 0 HB3 ALA A 17 -2.389 -4.181 1.969 1.00 54.11 H new ATOM 244 N ASP A 18 -2.406 -1.321 2.494 1.00 11.15 N ATOM 245 CA ASP A 18 -3.253 -0.135 2.446 1.00 13.30 C ATOM 246 C ASP A 18 -2.413 1.126 2.274 1.00 11.20 C ATOM 247 O ASP A 18 -2.838 2.083 1.628 1.00 54.21 O ATOM 248 CB ASP A 18 -4.095 -0.033 3.719 1.00 72.23 C ATOM 249 CG ASP A 18 -5.150 -1.118 3.804 1.00 15.13 C ATOM 250 OD1 ASP A 18 -5.829 -1.206 4.849 1.00 43.33 O ATOM 251 OD2 ASP A 18 -5.297 -1.880 2.826 1.00 72.10 O ATOM 0 H ASP A 18 -2.542 -1.904 3.320 1.00 11.15 H new ATOM 0 HA ASP A 18 -3.917 -0.227 1.587 1.00 13.30 H new ATOM 0 HB2 ASP A 18 -3.442 -0.097 4.589 1.00 72.23 H new ATOM 0 HB3 ASP A 18 -4.578 0.943 3.754 1.00 72.23 H new ATOM 255 N GLU A 19 -1.220 1.122 2.860 1.00 44.21 N ATOM 256 CA GLU A 19 -0.322 2.267 2.773 1.00 70.24 C ATOM 257 C GLU A 19 0.070 2.542 1.324 1.00 54.23 C ATOM 258 O GLU A 19 0.298 3.688 0.938 1.00 72.44 O ATOM 259 CB GLU A 19 0.932 2.025 3.616 1.00 3.45 C ATOM 260 CG GLU A 19 0.973 2.841 4.896 1.00 23.14 C ATOM 261 CD GLU A 19 -0.135 2.467 5.862 1.00 31.23 C ATOM 262 OE1 GLU A 19 -1.316 2.714 5.534 1.00 34.31 O ATOM 263 OE2 GLU A 19 0.176 1.926 6.944 1.00 21.53 O ATOM 0 H GLU A 19 -0.853 0.338 3.400 1.00 44.21 H new ATOM 0 HA GLU A 19 -0.848 3.140 3.160 1.00 70.24 H new ATOM 0 HB2 GLU A 19 0.991 0.966 3.868 1.00 3.45 H new ATOM 0 HB3 GLU A 19 1.812 2.259 3.018 1.00 3.45 H new ATOM 0 HG2 GLU A 19 1.938 2.698 5.383 1.00 23.14 H new ATOM 0 HG3 GLU A 19 0.894 3.900 4.650 1.00 23.14 H new ATOM 268 N CYS A 20 0.147 1.482 0.527 1.00 12.33 N ATOM 269 CA CYS A 20 0.513 1.606 -0.879 1.00 35.21 C ATOM 270 C CYS A 20 -0.728 1.794 -1.748 1.00 41.05 C ATOM 271 O CYS A 20 -1.674 1.009 -1.677 1.00 32.13 O ATOM 272 CB CYS A 20 1.288 0.370 -1.338 1.00 53.00 C ATOM 273 SG CYS A 20 2.999 0.717 -1.861 1.00 4.22 S ATOM 0 H CYS A 20 -0.039 0.526 0.831 1.00 12.33 H new ATOM 0 HA CYS A 20 1.149 2.485 -0.987 1.00 35.21 H new ATOM 0 HB2 CYS A 20 1.308 -0.356 -0.525 1.00 53.00 H new ATOM 0 HB3 CYS A 20 0.753 -0.094 -2.167 1.00 53.00 H new ATOM 277 N CYS A 21 -0.715 2.838 -2.569 1.00 12.50 N ATOM 278 CA CYS A 21 -1.837 3.130 -3.454 1.00 4.44 C ATOM 279 C CYS A 21 -2.093 1.968 -4.409 1.00 32.03 C ATOM 280 O CYS A 21 -3.224 1.743 -4.840 1.00 13.43 O ATOM 281 CB CYS A 21 -1.567 4.409 -4.249 1.00 22.10 C ATOM 282 SG CYS A 21 -2.722 5.769 -3.883 1.00 13.22 S ATOM 0 H CYS A 21 0.060 3.497 -2.640 1.00 12.50 H new ATOM 0 HA CYS A 21 -2.725 3.274 -2.839 1.00 4.44 H new ATOM 0 HB2 CYS A 21 -0.551 4.744 -4.043 1.00 22.10 H new ATOM 0 HB3 CYS A 21 -1.618 4.180 -5.313 1.00 22.10 H new ATOM 286 N SER A 22 -1.035 1.233 -4.736 1.00 34.32 N ATOM 287 CA SER A 22 -1.144 0.097 -5.643 1.00 4.02 C ATOM 288 C SER A 22 -1.587 -1.157 -4.893 1.00 60.11 C ATOM 289 O SER A 22 -2.027 -2.134 -5.498 1.00 73.30 O ATOM 290 CB SER A 22 0.194 -0.158 -6.339 1.00 64.11 C ATOM 291 OG SER A 22 0.106 -1.258 -7.227 1.00 30.25 O ATOM 0 H SER A 22 -0.092 1.404 -4.386 1.00 34.32 H new ATOM 0 HA SER A 22 -1.897 0.335 -6.395 1.00 4.02 H new ATOM 0 HB2 SER A 22 0.497 0.733 -6.888 1.00 64.11 H new ATOM 0 HB3 SER A 22 0.965 -0.350 -5.593 1.00 64.11 H new ATOM 0 HG SER A 22 0.974 -1.399 -7.660 1.00 30.25 H new ATOM 296 N LYS A 23 -1.467 -1.120 -3.570 1.00 41.13 N ATOM 297 CA LYS A 23 -1.855 -2.250 -2.735 1.00 41.04 C ATOM 298 C LYS A 23 -0.975 -3.463 -3.018 1.00 44.22 C ATOM 299 O LYS A 23 -1.471 -4.578 -3.173 1.00 31.24 O ATOM 300 CB LYS A 23 -3.324 -2.605 -2.972 1.00 71.41 C ATOM 301 CG LYS A 23 -4.263 -1.416 -2.865 1.00 25.51 C ATOM 302 CD LYS A 23 -5.177 -1.534 -1.657 1.00 62.54 C ATOM 303 CE LYS A 23 -6.259 -0.465 -1.671 1.00 63.21 C ATOM 304 NZ LYS A 23 -6.405 0.192 -0.342 1.00 71.15 N ATOM 0 H LYS A 23 -1.104 -0.319 -3.053 1.00 41.13 H new ATOM 0 HA LYS A 23 -1.721 -1.962 -1.692 1.00 41.04 H new ATOM 0 HB2 LYS A 23 -3.426 -3.050 -3.962 1.00 71.41 H new ATOM 0 HB3 LYS A 23 -3.627 -3.363 -2.249 1.00 71.41 H new ATOM 0 HG2 LYS A 23 -3.681 -0.497 -2.794 1.00 25.51 H new ATOM 0 HG3 LYS A 23 -4.864 -1.343 -3.771 1.00 25.51 H new ATOM 0 HD2 LYS A 23 -5.639 -2.521 -1.644 1.00 62.54 H new ATOM 0 HD3 LYS A 23 -4.588 -1.446 -0.744 1.00 62.54 H new ATOM 0 HE2 LYS A 23 -6.018 0.286 -2.423 1.00 63.21 H new ATOM 0 HE3 LYS A 23 -7.209 -0.913 -1.961 1.00 63.21 H new ATOM 0 HZ1 LYS A 23 -7.152 0.914 -0.392 1.00 71.15 H new ATOM 0 HZ2 LYS A 23 -6.660 -0.521 0.371 1.00 71.15 H new ATOM 0 HZ3 LYS A 23 -5.506 0.642 -0.076 1.00 71.15 H new ATOM 314 N ARG A 24 0.333 -3.238 -3.082 1.00 21.34 N ATOM 315 CA ARG A 24 1.282 -4.313 -3.345 1.00 21.41 C ATOM 316 C ARG A 24 2.410 -4.307 -2.318 1.00 0.40 C ATOM 317 O ARG A 24 3.549 -4.660 -2.628 1.00 5.40 O ATOM 318 CB ARG A 24 1.861 -4.176 -4.755 1.00 31.31 C ATOM 319 CG ARG A 24 1.225 -5.115 -5.768 1.00 1.11 C ATOM 320 CD ARG A 24 1.446 -6.572 -5.392 1.00 22.03 C ATOM 321 NE ARG A 24 1.359 -7.455 -6.553 1.00 72.42 N ATOM 322 CZ ARG A 24 0.211 -7.846 -7.095 1.00 51.15 C ATOM 323 NH1 ARG A 24 -0.941 -7.433 -6.586 1.00 0.15 N ATOM 324 NH2 ARG A 24 0.214 -8.651 -8.150 1.00 2.41 N ATOM 0 H ARG A 24 0.760 -2.320 -2.955 1.00 21.34 H new ATOM 0 HA ARG A 24 0.749 -5.261 -3.268 1.00 21.41 H new ATOM 0 HB2 ARG A 24 1.732 -3.148 -5.094 1.00 31.31 H new ATOM 0 HB3 ARG A 24 2.934 -4.367 -4.718 1.00 31.31 H new ATOM 0 HG2 ARG A 24 0.156 -4.913 -5.832 1.00 1.11 H new ATOM 0 HG3 ARG A 24 1.645 -4.925 -6.756 1.00 1.11 H new ATOM 0 HD2 ARG A 24 2.425 -6.682 -4.925 1.00 22.03 H new ATOM 0 HD3 ARG A 24 0.704 -6.872 -4.652 1.00 22.03 H new ATOM 0 HE ARG A 24 2.228 -7.790 -6.970 1.00 72.42 H new ATOM 0 HH11 ARG A 24 -0.948 -6.813 -5.776 1.00 0.15 H new ATOM 0 HH12 ARG A 24 -1.821 -7.735 -7.004 1.00 0.15 H new ATOM 0 HH21 ARG A 24 1.098 -8.970 -8.545 1.00 2.41 H new ATOM 0 HH22 ARG A 24 -0.668 -8.951 -8.565 1.00 2.41 H new ATOM 335 N CYS A 25 2.086 -3.905 -1.094 1.00 43.43 N ATOM 336 CA CYS A 25 3.072 -3.852 -0.020 1.00 42.23 C ATOM 337 C CYS A 25 3.157 -5.190 0.706 1.00 34.23 C ATOM 338 O CYS A 25 2.180 -5.937 0.773 1.00 13.14 O ATOM 339 CB CYS A 25 2.716 -2.743 0.972 1.00 20.11 C ATOM 340 SG CYS A 25 4.139 -2.103 1.913 1.00 35.53 S ATOM 0 H CYS A 25 1.148 -3.611 -0.820 1.00 43.43 H new ATOM 0 HA CYS A 25 4.044 -3.636 -0.463 1.00 42.23 H new ATOM 0 HB2 CYS A 25 2.253 -1.919 0.429 1.00 20.11 H new ATOM 0 HB3 CYS A 25 1.971 -3.122 1.672 1.00 20.11 H new ATOM 344 N LEU A 26 4.332 -5.489 1.249 1.00 72.20 N ATOM 345 CA LEU A 26 4.547 -6.738 1.971 1.00 55.12 C ATOM 346 C LEU A 26 5.248 -6.485 3.302 1.00 43.12 C ATOM 347 O LEU A 26 6.008 -5.526 3.442 1.00 44.04 O ATOM 348 CB LEU A 26 5.374 -7.705 1.122 1.00 32.20 C ATOM 349 CG LEU A 26 5.422 -9.153 1.610 1.00 51.14 C ATOM 350 CD1 LEU A 26 4.159 -9.896 1.204 1.00 41.23 C ATOM 351 CD2 LEU A 26 6.656 -9.859 1.065 1.00 33.40 C ATOM 0 H LEU A 26 5.151 -4.883 1.203 1.00 72.20 H new ATOM 0 HA LEU A 26 3.573 -7.183 2.174 1.00 55.12 H new ATOM 0 HB2 LEU A 26 4.976 -7.698 0.107 1.00 32.20 H new ATOM 0 HB3 LEU A 26 6.395 -7.327 1.067 1.00 32.20 H new ATOM 0 HG LEU A 26 5.481 -9.147 2.698 1.00 51.14 H new ATOM 0 HD11 LEU A 26 4.212 -10.925 1.560 1.00 41.23 H new ATOM 0 HD12 LEU A 26 3.291 -9.404 1.642 1.00 41.23 H new ATOM 0 HD13 LEU A 26 4.068 -9.892 0.118 1.00 41.23 H new ATOM 0 HD21 LEU A 26 6.674 -10.889 1.423 1.00 33.40 H new ATOM 0 HD22 LEU A 26 6.627 -9.854 -0.025 1.00 33.40 H new ATOM 0 HD23 LEU A 26 7.552 -9.341 1.406 1.00 33.40 H new ATOM 362 N PHE A 27 4.988 -7.350 4.276 1.00 74.42 N ATOM 363 CA PHE A 27 5.596 -7.221 5.596 1.00 12.34 C ATOM 364 C PHE A 27 7.101 -7.461 5.527 1.00 21.32 C ATOM 365 O PHE A 27 7.866 -6.905 6.316 1.00 65.24 O ATOM 366 CB PHE A 27 4.954 -8.206 6.574 1.00 52.45 C ATOM 367 CG PHE A 27 3.643 -7.729 7.132 1.00 34.22 C ATOM 368 CD1 PHE A 27 3.468 -7.584 8.499 1.00 21.20 C ATOM 369 CD2 PHE A 27 2.586 -7.426 6.288 1.00 13.42 C ATOM 370 CE1 PHE A 27 2.262 -7.146 9.014 1.00 44.41 C ATOM 371 CE2 PHE A 27 1.379 -6.987 6.799 1.00 22.04 C ATOM 372 CZ PHE A 27 1.217 -6.847 8.163 1.00 55.32 C ATOM 0 H PHE A 27 4.361 -8.148 4.177 1.00 74.42 H new ATOM 0 HA PHE A 27 5.425 -6.205 5.951 1.00 12.34 H new ATOM 0 HB2 PHE A 27 4.799 -9.159 6.068 1.00 52.45 H new ATOM 0 HB3 PHE A 27 5.644 -8.390 7.397 1.00 52.45 H new ATOM 0 HD1 PHE A 27 4.282 -7.816 9.169 1.00 21.20 H new ATOM 0 HD2 PHE A 27 2.707 -7.534 5.220 1.00 13.42 H new ATOM 0 HE1 PHE A 27 2.138 -7.038 10.081 1.00 44.41 H new ATOM 0 HE2 PHE A 27 0.563 -6.754 6.131 1.00 22.04 H new ATOM 0 HZ PHE A 27 0.274 -6.504 8.563 1.00 55.32 H new ATOM 381 N TYR A 28 7.518 -8.295 4.582 1.00 24.15 N ATOM 382 CA TYR A 28 8.931 -8.612 4.412 1.00 42.22 C ATOM 383 C TYR A 28 9.616 -7.587 3.513 1.00 64.32 C ATOM 384 O TYR A 28 10.660 -7.038 3.864 1.00 52.42 O ATOM 385 CB TYR A 28 9.093 -10.013 3.820 1.00 43.05 C ATOM 386 CG TYR A 28 8.600 -11.116 4.730 1.00 43.42 C ATOM 387 CD1 TYR A 28 9.427 -11.663 5.703 1.00 4.24 C ATOM 388 CD2 TYR A 28 7.306 -11.611 4.616 1.00 65.43 C ATOM 389 CE1 TYR A 28 8.981 -12.670 6.535 1.00 31.12 C ATOM 390 CE2 TYR A 28 6.852 -12.617 5.445 1.00 14.24 C ATOM 391 CZ TYR A 28 7.693 -13.144 6.404 1.00 71.23 C ATOM 392 OH TYR A 28 7.243 -14.147 7.231 1.00 4.41 O ATOM 0 H TYR A 28 6.898 -8.764 3.922 1.00 24.15 H new ATOM 0 HA TYR A 28 9.404 -8.581 5.394 1.00 42.22 H new ATOM 0 HB2 TYR A 28 8.552 -10.064 2.875 1.00 43.05 H new ATOM 0 HB3 TYR A 28 10.146 -10.183 3.594 1.00 43.05 H new ATOM 0 HD1 TYR A 28 10.436 -11.294 5.810 1.00 4.24 H new ATOM 0 HD2 TYR A 28 6.645 -11.202 3.866 1.00 65.43 H new ATOM 0 HE1 TYR A 28 9.638 -13.085 7.285 1.00 31.12 H new ATOM 0 HE2 TYR A 28 5.844 -12.990 5.344 1.00 14.24 H new ATOM 0 HH TYR A 28 6.314 -14.363 7.007 1.00 4.41 H new ATOM 401 N ALA A 29 9.019 -7.333 2.353 1.00 61.12 N ATOM 402 CA ALA A 29 9.568 -6.372 1.406 1.00 21.34 C ATOM 403 C ALA A 29 9.476 -4.950 1.949 1.00 24.31 C ATOM 404 O ALA A 29 10.402 -4.155 1.794 1.00 43.14 O ATOM 405 CB ALA A 29 8.847 -6.476 0.070 1.00 2.14 C ATOM 0 H ALA A 29 8.155 -7.780 2.047 1.00 61.12 H new ATOM 0 HA ALA A 29 10.622 -6.608 1.258 1.00 21.34 H new ATOM 0 HB1 ALA A 29 9.268 -5.752 -0.628 1.00 2.14 H new ATOM 0 HB2 ALA A 29 8.970 -7.482 -0.332 1.00 2.14 H new ATOM 0 HB3 ALA A 29 7.786 -6.269 0.212 1.00 2.14 H new ATOM 411 N ALA A 30 8.353 -4.637 2.587 1.00 71.15 N ATOM 412 CA ALA A 30 8.140 -3.312 3.154 1.00 3.03 C ATOM 413 C ALA A 30 8.142 -2.242 2.067 1.00 12.05 C ATOM 414 O ALA A 30 8.168 -1.046 2.358 1.00 32.52 O ATOM 415 CB ALA A 30 9.203 -3.008 4.199 1.00 72.24 C ATOM 0 H ALA A 30 7.576 -5.284 2.724 1.00 71.15 H new ATOM 0 HA ALA A 30 7.161 -3.303 3.634 1.00 3.03 H new ATOM 0 HB1 ALA A 30 9.032 -2.015 4.614 1.00 72.24 H new ATOM 0 HB2 ALA A 30 9.151 -3.749 4.997 1.00 72.24 H new ATOM 0 HB3 ALA A 30 10.189 -3.042 3.736 1.00 72.24 H new ATOM 421 N LYS A 31 8.118 -2.680 0.813 1.00 34.24 N ATOM 422 CA LYS A 31 8.117 -1.760 -0.319 1.00 22.22 C ATOM 423 C LYS A 31 7.207 -2.269 -1.433 1.00 22.40 C ATOM 424 O LYS A 31 7.170 -3.466 -1.720 1.00 1.32 O ATOM 425 CB LYS A 31 9.539 -1.576 -0.854 1.00 4.22 C ATOM 426 CG LYS A 31 9.591 -1.059 -2.281 1.00 12.42 C ATOM 427 CD LYS A 31 9.690 -2.198 -3.283 1.00 61.02 C ATOM 428 CE LYS A 31 11.113 -2.725 -3.388 1.00 62.44 C ATOM 429 NZ LYS A 31 11.262 -3.702 -4.502 1.00 3.33 N ATOM 0 H LYS A 31 8.099 -3.667 0.554 1.00 34.24 H new ATOM 0 HA LYS A 31 7.737 -0.799 0.027 1.00 22.22 H new ATOM 0 HB2 LYS A 31 10.075 -0.883 -0.206 1.00 4.22 H new ATOM 0 HB3 LYS A 31 10.063 -2.530 -0.803 1.00 4.22 H new ATOM 0 HG2 LYS A 31 8.699 -0.468 -2.488 1.00 12.42 H new ATOM 0 HG3 LYS A 31 10.448 -0.395 -2.398 1.00 12.42 H new ATOM 0 HD2 LYS A 31 9.023 -3.006 -2.984 1.00 61.02 H new ATOM 0 HD3 LYS A 31 9.355 -1.854 -4.261 1.00 61.02 H new ATOM 0 HE2 LYS A 31 11.798 -1.892 -3.542 1.00 62.44 H new ATOM 0 HE3 LYS A 31 11.395 -3.200 -2.448 1.00 62.44 H new ATOM 0 HZ1 LYS A 31 12.226 -3.645 -4.887 1.00 3.33 H new ATOM 0 HZ2 LYS A 31 11.087 -4.663 -4.146 1.00 3.33 H new ATOM 0 HZ3 LYS A 31 10.576 -3.481 -5.252 1.00 3.33 H new ATOM 439 N CYS A 32 6.474 -1.353 -2.057 1.00 14.43 N ATOM 440 CA CYS A 32 5.565 -1.708 -3.140 1.00 55.04 C ATOM 441 C CYS A 32 6.283 -2.530 -4.206 1.00 42.15 C ATOM 442 O CYS A 32 7.178 -2.034 -4.891 1.00 65.14 O ATOM 443 CB CYS A 32 4.970 -0.446 -3.769 1.00 44.43 C ATOM 444 SG CYS A 32 3.166 -0.295 -3.567 1.00 21.24 S ATOM 0 H CYS A 32 6.492 -0.359 -1.831 1.00 14.43 H new ATOM 0 HA CYS A 32 4.760 -2.312 -2.721 1.00 55.04 H new ATOM 0 HB2 CYS A 32 5.449 0.428 -3.327 1.00 44.43 H new ATOM 0 HB3 CYS A 32 5.208 -0.436 -4.833 1.00 44.43 H new ATOM 448 N VAL A 33 5.885 -3.791 -4.340 1.00 0.54 N ATOM 449 CA VAL A 33 6.488 -4.683 -5.324 1.00 35.11 C ATOM 450 C VAL A 33 5.464 -5.134 -6.358 1.00 1.55 C ATOM 451 O VAL A 33 4.353 -5.539 -6.011 1.00 55.23 O ATOM 452 CB VAL A 33 7.105 -5.924 -4.652 1.00 31.33 C ATOM 453 CG1 VAL A 33 8.475 -5.596 -4.079 1.00 71.52 C ATOM 454 CG2 VAL A 33 6.179 -6.458 -3.568 1.00 3.21 C ATOM 0 H VAL A 33 5.148 -4.218 -3.780 1.00 0.54 H new ATOM 0 HA VAL A 33 7.277 -4.119 -5.822 1.00 35.11 H new ATOM 0 HB VAL A 33 7.230 -6.700 -5.407 1.00 31.33 H new ATOM 0 HG11 VAL A 33 8.895 -6.485 -3.608 1.00 71.52 H new ATOM 0 HG12 VAL A 33 9.135 -5.264 -4.881 1.00 71.52 H new ATOM 0 HG13 VAL A 33 8.379 -4.804 -3.337 1.00 71.52 H new ATOM 0 HG21 VAL A 33 6.630 -7.335 -3.103 1.00 3.21 H new ATOM 0 HG22 VAL A 33 6.021 -5.688 -2.813 1.00 3.21 H new ATOM 0 HG23 VAL A 33 5.222 -6.734 -4.011 1.00 3.21 H new ATOM 464 N SER A 34 5.843 -5.065 -7.629 1.00 34.41 N ATOM 465 CA SER A 34 4.956 -5.464 -8.716 1.00 1.31 C ATOM 466 C SER A 34 4.438 -6.883 -8.500 1.00 14.03 C ATOM 467 O SER A 34 5.209 -7.801 -8.227 1.00 14.13 O ATOM 468 CB SER A 34 5.685 -5.374 -10.057 1.00 75.31 C ATOM 469 OG SER A 34 4.801 -5.619 -11.137 1.00 52.24 O ATOM 0 H SER A 34 6.760 -4.736 -7.933 1.00 34.41 H new ATOM 0 HA SER A 34 4.106 -4.782 -8.727 1.00 1.31 H new ATOM 0 HB2 SER A 34 6.131 -4.386 -10.166 1.00 75.31 H new ATOM 0 HB3 SER A 34 6.501 -6.097 -10.080 1.00 75.31 H new ATOM 0 HG SER A 34 5.292 -5.554 -11.983 1.00 52.24 H new TER 474 SER A 34