USER MOD reduce.3.24.130724 H: found=0, std=0, add=258, rem=0, adj=7 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 Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 6 GLN : amide:sc= -0.273 K(o=-0.27,f=-4.6!) USER MOD Single : A 8 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0314) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -29:sc= 0.0622 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+ -174:sc= -0.85 (180deg=-1.01) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -6.416 20.144 -16.715 1.00 20.23 N ATOM 2 CA SER A 1 -7.178 19.185 -17.506 1.00 22.42 C ATOM 3 C SER A 1 -7.448 17.914 -16.707 1.00 24.24 C ATOM 4 O SER A 1 -8.594 17.492 -16.562 1.00 74.52 O ATOM 5 CB SER A 1 -6.425 18.842 -18.793 1.00 70.21 C ATOM 6 OG SER A 1 -7.018 19.475 -19.915 1.00 65.24 O ATOM 0 H1 SER A 1 -6.244 21.001 -17.279 1.00 20.23 H new ATOM 0 H2 SER A 1 -6.953 20.394 -15.861 1.00 20.23 H new ATOM 0 H3 SER A 1 -5.506 19.722 -16.440 1.00 20.23 H new ATOM 0 HA SER A 1 -8.134 19.641 -17.763 1.00 22.42 H new ATOM 0 HB2 SER A 1 -5.384 19.154 -18.703 1.00 70.21 H new ATOM 0 HB3 SER A 1 -6.423 17.762 -18.940 1.00 70.21 H new ATOM 0 HG SER A 1 -6.518 19.242 -20.725 1.00 65.24 H new ATOM 11 N GLN A 2 -6.382 17.309 -16.192 1.00 45.43 N ATOM 12 CA GLN A 2 -6.504 16.086 -15.408 1.00 14.41 C ATOM 13 C GLN A 2 -5.469 16.052 -14.289 1.00 33.32 C ATOM 14 O GLN A 2 -4.593 16.912 -14.215 1.00 3.31 O ATOM 15 CB GLN A 2 -6.339 14.860 -16.308 1.00 32.44 C ATOM 16 CG GLN A 2 -7.656 14.308 -16.831 1.00 25.24 C ATOM 17 CD GLN A 2 -7.508 12.929 -17.443 1.00 25.03 C ATOM 18 OE1 GLN A 2 -6.983 12.780 -18.547 1.00 53.12 O ATOM 19 NE2 GLN A 2 -7.973 11.911 -16.729 1.00 63.52 N ATOM 0 H GLN A 2 -5.426 17.646 -16.304 1.00 45.43 H new ATOM 0 HA GLN A 2 -7.498 16.069 -14.960 1.00 14.41 H new ATOM 0 HB2 GLN A 2 -5.703 15.123 -17.154 1.00 32.44 H new ATOM 0 HB3 GLN A 2 -5.822 14.078 -15.752 1.00 32.44 H new ATOM 0 HG2 GLN A 2 -8.377 14.264 -16.015 1.00 25.24 H new ATOM 0 HG3 GLN A 2 -8.061 14.991 -17.577 1.00 25.24 H new ATOM 0 HE21 GLN A 2 -8.401 12.080 -15.819 1.00 63.52 H new ATOM 0 HE22 GLN A 2 -7.902 10.960 -17.091 1.00 63.52 H new ATOM 26 N GLU A 3 -5.577 15.052 -13.419 1.00 52.11 N ATOM 27 CA GLU A 3 -4.650 14.907 -12.303 1.00 73.52 C ATOM 28 C GLU A 3 -4.442 13.436 -11.955 1.00 72.20 C ATOM 29 O GLU A 3 -5.318 12.604 -12.188 1.00 62.44 O ATOM 30 CB GLU A 3 -5.170 15.663 -11.078 1.00 14.41 C ATOM 31 CG GLU A 3 -6.443 15.073 -10.494 1.00 32.41 C ATOM 32 CD GLU A 3 -7.316 16.117 -9.827 1.00 30.12 C ATOM 33 OE1 GLU A 3 -7.928 16.930 -10.552 1.00 21.14 O ATOM 34 OE2 GLU A 3 -7.389 16.122 -8.580 1.00 51.31 O ATOM 0 H GLU A 3 -6.297 14.331 -13.466 1.00 52.11 H new ATOM 0 HA GLU A 3 -3.692 15.330 -12.603 1.00 73.52 H new ATOM 0 HB2 GLU A 3 -4.397 15.669 -10.310 1.00 14.41 H new ATOM 0 HB3 GLU A 3 -5.354 16.701 -11.353 1.00 14.41 H new ATOM 0 HG2 GLU A 3 -7.009 14.584 -11.286 1.00 32.41 H new ATOM 0 HG3 GLU A 3 -6.182 14.304 -9.767 1.00 32.41 H new ATOM 39 N GLN A 4 -3.277 13.125 -11.397 1.00 63.22 N ATOM 40 CA GLN A 4 -2.953 11.754 -11.019 1.00 12.35 C ATOM 41 C GLN A 4 -2.132 11.723 -9.734 1.00 24.53 C ATOM 42 O GLN A 4 -0.913 11.893 -9.761 1.00 34.34 O ATOM 43 CB GLN A 4 -2.186 11.060 -12.146 1.00 41.33 C ATOM 44 CG GLN A 4 -2.944 9.902 -12.775 1.00 54.21 C ATOM 45 CD GLN A 4 -2.024 8.876 -13.407 1.00 41.23 C ATOM 46 OE1 GLN A 4 -0.933 9.205 -13.871 1.00 73.35 O ATOM 47 NE2 GLN A 4 -2.461 7.621 -13.427 1.00 23.12 N ATOM 0 H GLN A 4 -2.542 13.803 -11.197 1.00 63.22 H new ATOM 0 HA GLN A 4 -3.888 11.221 -10.844 1.00 12.35 H new ATOM 0 HB2 GLN A 4 -1.951 11.792 -12.919 1.00 41.33 H new ATOM 0 HB3 GLN A 4 -1.237 10.693 -11.756 1.00 41.33 H new ATOM 0 HG2 GLN A 4 -3.555 9.417 -12.014 1.00 54.21 H new ATOM 0 HG3 GLN A 4 -3.626 10.288 -13.533 1.00 54.21 H new ATOM 0 HE21 GLN A 4 -3.373 7.392 -13.031 1.00 23.12 H new ATOM 0 HE22 GLN A 4 -1.885 6.887 -13.838 1.00 23.12 H new ATOM 54 N ARG A 5 -2.808 11.506 -8.612 1.00 24.24 N ATOM 55 CA ARG A 5 -2.141 11.456 -7.316 1.00 44.30 C ATOM 56 C ARG A 5 -1.672 10.038 -7.001 1.00 24.55 C ATOM 57 O ARG A 5 -2.389 9.069 -7.247 1.00 51.44 O ATOM 58 CB ARG A 5 -3.081 11.948 -6.214 1.00 4.14 C ATOM 59 CG ARG A 5 -2.368 12.320 -4.925 1.00 0.41 C ATOM 60 CD ARG A 5 -3.194 13.283 -4.089 1.00 24.14 C ATOM 61 NE ARG A 5 -2.975 14.673 -4.479 1.00 54.10 N ATOM 62 CZ ARG A 5 -1.842 15.330 -4.256 1.00 32.21 C ATOM 63 NH1 ARG A 5 -0.830 14.726 -3.647 1.00 2.14 N ATOM 64 NH2 ARG A 5 -1.719 16.594 -4.640 1.00 62.22 N ATOM 0 H ARG A 5 -3.817 11.362 -8.573 1.00 24.24 H new ATOM 0 HA ARG A 5 -1.269 12.109 -7.359 1.00 44.30 H new ATOM 0 HB2 ARG A 5 -3.631 12.816 -6.578 1.00 4.14 H new ATOM 0 HB3 ARG A 5 -3.816 11.171 -6.002 1.00 4.14 H new ATOM 0 HG2 ARG A 5 -2.164 11.418 -4.348 1.00 0.41 H new ATOM 0 HG3 ARG A 5 -1.405 12.774 -5.159 1.00 0.41 H new ATOM 0 HD2 ARG A 5 -4.251 13.039 -4.194 1.00 24.14 H new ATOM 0 HD3 ARG A 5 -2.941 13.158 -3.036 1.00 24.14 H new ATOM 0 HE ARG A 5 -3.734 15.167 -4.949 1.00 54.10 H new ATOM 0 HH11 ARG A 5 -0.921 13.755 -3.349 1.00 2.14 H new ATOM 0 HH12 ARG A 5 0.039 15.233 -3.477 1.00 2.14 H new ATOM 0 HH21 ARG A 5 -2.495 17.063 -5.107 1.00 62.22 H new ATOM 0 HH22 ARG A 5 -0.848 17.097 -4.468 1.00 62.22 H new ATOM 75 N GLN A 6 -0.463 9.927 -6.459 1.00 43.01 N ATOM 76 CA GLN A 6 0.101 8.628 -6.112 1.00 41.20 C ATOM 77 C GLN A 6 0.520 8.590 -4.646 1.00 73.21 C ATOM 78 O GLN A 6 1.071 9.558 -4.122 1.00 30.24 O ATOM 79 CB GLN A 6 1.303 8.316 -7.007 1.00 64.51 C ATOM 80 CG GLN A 6 2.535 9.145 -6.681 1.00 0.03 C ATOM 81 CD GLN A 6 3.291 9.580 -7.921 1.00 2.42 C ATOM 82 OE1 GLN A 6 3.369 8.843 -8.905 1.00 32.32 O ATOM 83 NE2 GLN A 6 3.853 10.782 -7.883 1.00 71.04 N ATOM 0 H GLN A 6 0.144 10.720 -6.251 1.00 43.01 H new ATOM 0 HA GLN A 6 -0.668 7.872 -6.270 1.00 41.20 H new ATOM 0 HB2 GLN A 6 1.551 7.259 -6.913 1.00 64.51 H new ATOM 0 HB3 GLN A 6 1.025 8.487 -8.047 1.00 64.51 H new ATOM 0 HG2 GLN A 6 2.235 10.027 -6.115 1.00 0.03 H new ATOM 0 HG3 GLN A 6 3.199 8.565 -6.040 1.00 0.03 H new ATOM 0 HE21 GLN A 6 3.764 11.360 -7.048 1.00 71.04 H new ATOM 0 HE22 GLN A 6 4.374 11.127 -8.689 1.00 71.04 H new ATOM 90 N CYS A 7 0.255 7.466 -3.990 1.00 60.03 N ATOM 91 CA CYS A 7 0.603 7.300 -2.584 1.00 74.31 C ATOM 92 C CYS A 7 1.990 6.681 -2.436 1.00 41.34 C ATOM 93 O CYS A 7 2.852 7.220 -1.741 1.00 64.53 O ATOM 94 CB CYS A 7 -0.435 6.425 -1.879 1.00 2.41 C ATOM 95 SG CYS A 7 -2.154 6.760 -2.381 1.00 33.30 S ATOM 0 H CYS A 7 -0.200 6.655 -4.410 1.00 60.03 H new ATOM 0 HA CYS A 7 0.613 8.286 -2.120 1.00 74.31 H new ATOM 0 HB2 CYS A 7 -0.207 5.378 -2.078 1.00 2.41 H new ATOM 0 HB3 CYS A 7 -0.347 6.571 -0.802 1.00 2.41 H new ATOM 99 N LYS A 8 2.198 5.547 -3.094 1.00 50.45 N ATOM 100 CA LYS A 8 3.480 4.853 -3.039 1.00 14.15 C ATOM 101 C LYS A 8 3.622 3.876 -4.201 1.00 2.44 C ATOM 102 O LYS A 8 3.024 2.799 -4.197 1.00 25.42 O ATOM 103 CB LYS A 8 3.622 4.106 -1.711 1.00 45.25 C ATOM 104 CG LYS A 8 4.213 4.952 -0.596 1.00 75.25 C ATOM 105 CD LYS A 8 3.157 5.350 0.422 1.00 73.21 C ATOM 106 CE LYS A 8 3.431 4.723 1.781 1.00 61.44 C ATOM 107 NZ LYS A 8 2.447 5.170 2.805 1.00 64.31 N ATOM 0 H LYS A 8 1.495 5.088 -3.673 1.00 50.45 H new ATOM 0 HA LYS A 8 4.271 5.599 -3.117 1.00 14.15 H new ATOM 0 HB2 LYS A 8 2.642 3.745 -1.401 1.00 45.25 H new ATOM 0 HB3 LYS A 8 4.251 3.229 -1.863 1.00 45.25 H new ATOM 0 HG2 LYS A 8 5.008 4.396 -0.099 1.00 75.25 H new ATOM 0 HG3 LYS A 8 4.667 5.848 -1.019 1.00 75.25 H new ATOM 0 HD2 LYS A 8 3.134 6.435 0.519 1.00 73.21 H new ATOM 0 HD3 LYS A 8 2.174 5.040 0.068 1.00 73.21 H new ATOM 0 HE2 LYS A 8 3.397 3.637 1.694 1.00 61.44 H new ATOM 0 HE3 LYS A 8 4.438 4.985 2.106 1.00 61.44 H new ATOM 0 HZ1 LYS A 8 2.716 4.789 3.735 1.00 64.31 H new ATOM 0 HZ2 LYS A 8 2.437 6.209 2.846 1.00 64.31 H new ATOM 0 HZ3 LYS A 8 1.500 4.824 2.550 1.00 64.31 H new ATOM 117 N LYS A 9 4.415 4.257 -5.195 1.00 61.20 N ATOM 118 CA LYS A 9 4.638 3.414 -6.364 1.00 45.51 C ATOM 119 C LYS A 9 5.695 2.353 -6.077 1.00 53.34 C ATOM 120 O LYS A 9 6.138 2.199 -4.938 1.00 41.01 O ATOM 121 CB LYS A 9 5.070 4.268 -7.559 1.00 23.31 C ATOM 122 CG LYS A 9 4.107 5.398 -7.879 1.00 74.25 C ATOM 123 CD LYS A 9 3.732 5.411 -9.352 1.00 43.40 C ATOM 124 CE LYS A 9 2.296 5.868 -9.556 1.00 12.14 C ATOM 125 NZ LYS A 9 1.981 6.080 -10.997 1.00 0.04 N ATOM 0 H LYS A 9 4.915 5.146 -5.215 1.00 61.20 H new ATOM 0 HA LYS A 9 3.700 2.912 -6.603 1.00 45.51 H new ATOM 0 HB2 LYS A 9 6.055 4.688 -7.357 1.00 23.31 H new ATOM 0 HB3 LYS A 9 5.170 3.628 -8.435 1.00 23.31 H new ATOM 0 HG2 LYS A 9 3.206 5.292 -7.274 1.00 74.25 H new ATOM 0 HG3 LYS A 9 4.561 6.352 -7.610 1.00 74.25 H new ATOM 0 HD2 LYS A 9 4.407 6.073 -9.895 1.00 43.40 H new ATOM 0 HD3 LYS A 9 3.860 4.413 -9.770 1.00 43.40 H new ATOM 0 HE2 LYS A 9 1.616 5.124 -9.141 1.00 12.14 H new ATOM 0 HE3 LYS A 9 2.128 6.795 -9.007 1.00 12.14 H new ATOM 0 HZ1 LYS A 9 0.993 6.391 -11.094 1.00 0.04 H new ATOM 0 HZ2 LYS A 9 2.613 6.808 -11.387 1.00 0.04 H new ATOM 0 HZ3 LYS A 9 2.116 5.189 -11.517 1.00 0.04 H new ATOM 135 N ILE A 10 6.094 1.624 -7.113 1.00 40.30 N ATOM 136 CA ILE A 10 7.100 0.580 -6.971 1.00 72.53 C ATOM 137 C ILE A 10 8.430 1.159 -6.503 1.00 23.42 C ATOM 138 O ILE A 10 9.010 2.022 -7.160 1.00 32.55 O ATOM 139 CB ILE A 10 7.318 -0.176 -8.295 1.00 11.12 C ATOM 140 CG1 ILE A 10 5.988 -0.716 -8.825 1.00 12.50 C ATOM 141 CG2 ILE A 10 8.317 -1.306 -8.101 1.00 24.13 C ATOM 142 CD1 ILE A 10 5.268 -1.614 -7.844 1.00 50.10 C ATOM 0 H ILE A 10 5.735 1.737 -8.061 1.00 40.30 H new ATOM 0 HA ILE A 10 6.727 -0.118 -6.222 1.00 72.53 H new ATOM 0 HB ILE A 10 7.724 0.518 -9.030 1.00 11.12 H new ATOM 0 HG12 ILE A 10 5.340 0.123 -9.081 1.00 12.50 H new ATOM 0 HG13 ILE A 10 6.171 -1.270 -9.746 1.00 12.50 H new ATOM 0 HG21 ILE A 10 8.461 -1.831 -9.045 1.00 24.13 H new ATOM 0 HG22 ILE A 10 9.270 -0.896 -7.765 1.00 24.13 H new ATOM 0 HG23 ILE A 10 7.938 -2.002 -7.353 1.00 24.13 H new ATOM 0 HD11 ILE A 10 4.334 -1.960 -8.286 1.00 50.10 H new ATOM 0 HD12 ILE A 10 5.897 -2.472 -7.607 1.00 50.10 H new ATOM 0 HD13 ILE A 10 5.054 -1.058 -6.931 1.00 50.10 H new ATOM 153 N GLY A 11 8.912 0.675 -5.362 1.00 3.24 N ATOM 154 CA GLY A 11 10.172 1.154 -4.825 1.00 50.44 C ATOM 155 C GLY A 11 9.983 2.086 -3.645 1.00 32.53 C ATOM 156 O GLY A 11 10.953 2.612 -3.100 1.00 22.21 O ATOM 0 H GLY A 11 8.452 -0.041 -4.800 1.00 3.24 H new ATOM 0 HA2 GLY A 11 10.779 0.303 -4.518 1.00 50.44 H new ATOM 0 HA3 GLY A 11 10.724 1.673 -5.609 1.00 50.44 H new ATOM 160 N GLU A 12 8.730 2.293 -3.250 1.00 11.04 N ATOM 161 CA GLU A 12 8.418 3.171 -2.129 1.00 72.23 C ATOM 162 C GLU A 12 8.403 2.392 -0.817 1.00 10.32 C ATOM 163 O GLU A 12 8.551 1.169 -0.806 1.00 45.23 O ATOM 164 CB GLU A 12 7.065 3.852 -2.347 1.00 14.51 C ATOM 165 CG GLU A 12 7.059 4.835 -3.504 1.00 22.04 C ATOM 166 CD GLU A 12 8.348 5.629 -3.603 1.00 61.32 C ATOM 167 OE1 GLU A 12 9.173 5.308 -4.485 1.00 30.33 O ATOM 168 OE2 GLU A 12 8.531 6.568 -2.802 1.00 54.22 O ATOM 0 H GLU A 12 7.916 1.865 -3.690 1.00 11.04 H new ATOM 0 HA GLU A 12 9.194 3.934 -2.070 1.00 72.23 H new ATOM 0 HB2 GLU A 12 6.308 3.088 -2.526 1.00 14.51 H new ATOM 0 HB3 GLU A 12 6.780 4.376 -1.435 1.00 14.51 H new ATOM 0 HG2 GLU A 12 6.899 4.293 -4.436 1.00 22.04 H new ATOM 0 HG3 GLU A 12 6.221 5.523 -3.387 1.00 22.04 H new ATOM 173 N HIS A 13 8.221 3.109 0.288 1.00 34.15 N ATOM 174 CA HIS A 13 8.186 2.485 1.606 1.00 13.40 C ATOM 175 C HIS A 13 6.753 2.388 2.123 1.00 24.02 C ATOM 176 O HIS A 13 5.944 3.292 1.913 1.00 41.11 O ATOM 177 CB HIS A 13 9.043 3.280 2.592 1.00 24.43 C ATOM 178 CG HIS A 13 9.283 2.567 3.887 1.00 65.33 C ATOM 179 ND1 HIS A 13 8.459 2.703 4.985 1.00 41.43 N ATOM 180 CD2 HIS A 13 10.259 1.705 4.256 1.00 32.34 C ATOM 181 CE1 HIS A 13 8.921 1.958 5.973 1.00 21.35 C ATOM 182 NE2 HIS A 13 10.012 1.342 5.557 1.00 4.21 N ATOM 0 H HIS A 13 8.096 4.121 0.297 1.00 34.15 H new ATOM 0 HA HIS A 13 8.590 1.477 1.515 1.00 13.40 H new ATOM 0 HB2 HIS A 13 10.003 3.505 2.127 1.00 24.43 H new ATOM 0 HB3 HIS A 13 8.557 4.234 2.797 1.00 24.43 H new ATOM 0 HD2 HIS A 13 11.080 1.366 3.641 1.00 32.34 H new ATOM 0 HE1 HIS A 13 8.481 1.868 6.955 1.00 21.35 H new ATOM 0 HE2 HIS A 13 10.579 0.701 6.112 1.00 4.21 H new ATOM 189 N CYS A 14 6.447 1.286 2.798 1.00 31.41 N ATOM 190 CA CYS A 14 5.112 1.069 3.344 1.00 10.24 C ATOM 191 C CYS A 14 5.109 -0.102 4.324 1.00 50.24 C ATOM 192 O CYS A 14 5.842 -1.075 4.147 1.00 1.54 O ATOM 193 CB CYS A 14 4.114 0.805 2.216 1.00 4.14 C ATOM 194 SG CYS A 14 4.681 -0.416 0.990 1.00 62.05 S ATOM 0 H CYS A 14 7.105 0.529 2.980 1.00 31.41 H new ATOM 0 HA CYS A 14 4.815 1.970 3.880 1.00 10.24 H new ATOM 0 HB2 CYS A 14 3.176 0.459 2.650 1.00 4.14 H new ATOM 0 HB3 CYS A 14 3.902 1.745 1.706 1.00 4.14 H new ATOM 198 N TYR A 15 4.279 0.000 5.356 1.00 63.22 N ATOM 199 CA TYR A 15 4.181 -1.047 6.365 1.00 52.43 C ATOM 200 C TYR A 15 3.150 -2.098 5.962 1.00 65.00 C ATOM 201 O TYR A 15 3.301 -3.280 6.266 1.00 64.51 O ATOM 202 CB TYR A 15 3.808 -0.445 7.721 1.00 54.43 C ATOM 203 CG TYR A 15 4.840 0.522 8.258 1.00 71.20 C ATOM 204 CD1 TYR A 15 4.683 1.893 8.100 1.00 24.45 C ATOM 205 CD2 TYR A 15 5.970 0.064 8.922 1.00 52.01 C ATOM 206 CE1 TYR A 15 5.622 2.780 8.588 1.00 55.55 C ATOM 207 CE2 TYR A 15 6.914 0.944 9.415 1.00 75.04 C ATOM 208 CZ TYR A 15 6.736 2.302 9.246 1.00 34.32 C ATOM 209 OH TYR A 15 7.674 3.181 9.734 1.00 52.33 O ATOM 0 H TYR A 15 3.664 0.798 5.516 1.00 63.22 H new ATOM 0 HA TYR A 15 5.154 -1.531 6.445 1.00 52.43 H new ATOM 0 HB2 TYR A 15 2.852 0.070 7.630 1.00 54.43 H new ATOM 0 HB3 TYR A 15 3.668 -1.251 8.441 1.00 54.43 H new ATOM 0 HD1 TYR A 15 3.812 2.272 7.587 1.00 24.45 H new ATOM 0 HD2 TYR A 15 6.113 -0.998 9.055 1.00 52.01 H new ATOM 0 HE1 TYR A 15 5.485 3.843 8.455 1.00 55.55 H new ATOM 0 HE2 TYR A 15 7.787 0.571 9.930 1.00 75.04 H new ATOM 0 HH TYR A 15 8.395 2.681 10.171 1.00 52.33 H new ATOM 218 N VAL A 16 2.104 -1.656 5.273 1.00 5.31 N ATOM 219 CA VAL A 16 1.047 -2.555 4.824 1.00 50.32 C ATOM 220 C VAL A 16 0.672 -2.282 3.372 1.00 14.41 C ATOM 221 O VAL A 16 1.182 -1.350 2.753 1.00 52.01 O ATOM 222 CB VAL A 16 -0.211 -2.424 5.702 1.00 40.21 C ATOM 223 CG1 VAL A 16 0.021 -3.053 7.067 1.00 22.04 C ATOM 224 CG2 VAL A 16 -0.614 -0.964 5.840 1.00 52.25 C ATOM 0 H VAL A 16 1.965 -0.680 5.013 1.00 5.31 H new ATOM 0 HA VAL A 16 1.437 -3.569 4.910 1.00 50.32 H new ATOM 0 HB VAL A 16 -1.028 -2.959 5.217 1.00 40.21 H new ATOM 0 HG11 VAL A 16 -0.879 -2.950 7.673 1.00 22.04 H new ATOM 0 HG12 VAL A 16 0.258 -4.110 6.945 1.00 22.04 H new ATOM 0 HG13 VAL A 16 0.851 -2.550 7.563 1.00 22.04 H new ATOM 0 HG21 VAL A 16 -1.505 -0.890 6.464 1.00 52.25 H new ATOM 0 HG22 VAL A 16 0.199 -0.404 6.301 1.00 52.25 H new ATOM 0 HG23 VAL A 16 -0.826 -0.550 4.854 1.00 52.25 H new ATOM 234 N ALA A 17 -0.224 -3.104 2.834 1.00 54.22 N ATOM 235 CA ALA A 17 -0.670 -2.949 1.455 1.00 71.23 C ATOM 236 C ALA A 17 -1.505 -1.684 1.286 1.00 11.43 C ATOM 237 O ALA A 17 -1.345 -0.950 0.312 1.00 13.55 O ATOM 238 CB ALA A 17 -1.465 -4.171 1.018 1.00 54.11 C ATOM 0 H ALA A 17 -0.655 -3.883 3.332 1.00 54.22 H new ATOM 0 HA ALA A 17 0.212 -2.857 0.822 1.00 71.23 H new ATOM 0 HB1 ALA A 17 -1.792 -4.042 -0.014 1.00 54.11 H new ATOM 0 HB2 ALA A 17 -0.837 -5.059 1.092 1.00 54.11 H new ATOM 0 HB3 ALA A 17 -2.336 -4.288 1.663 1.00 54.11 H new ATOM 244 N ASP A 18 -2.395 -1.437 2.240 1.00 11.15 N ATOM 245 CA ASP A 18 -3.254 -0.260 2.197 1.00 13.30 C ATOM 246 C ASP A 18 -2.426 1.014 2.064 1.00 11.20 C ATOM 247 O ASP A 18 -2.849 1.975 1.423 1.00 54.21 O ATOM 248 CB ASP A 18 -4.122 -0.190 3.456 1.00 72.23 C ATOM 249 CG ASP A 18 -5.213 0.857 3.348 1.00 15.13 C ATOM 250 OD1 ASP A 18 -5.827 0.966 2.265 1.00 43.33 O ATOM 251 OD2 ASP A 18 -5.455 1.566 4.347 1.00 72.10 O ATOM 0 H ASP A 18 -2.541 -2.036 3.053 1.00 11.15 H new ATOM 0 HA ASP A 18 -3.900 -0.344 1.323 1.00 13.30 H new ATOM 0 HB2 ASP A 18 -4.574 -1.165 3.637 1.00 72.23 H new ATOM 0 HB3 ASP A 18 -3.492 0.033 4.317 1.00 72.23 H new ATOM 255 N GLU A 19 -1.245 1.012 2.674 1.00 44.21 N ATOM 256 CA GLU A 19 -0.359 2.169 2.624 1.00 70.24 C ATOM 257 C GLU A 19 0.059 2.473 1.189 1.00 54.23 C ATOM 258 O GLU A 19 0.281 3.628 0.825 1.00 72.44 O ATOM 259 CB GLU A 19 0.881 1.927 3.487 1.00 3.45 C ATOM 260 CG GLU A 19 0.948 2.815 4.719 1.00 23.14 C ATOM 261 CD GLU A 19 0.404 2.133 5.959 1.00 31.23 C ATOM 262 OE1 GLU A 19 1.183 1.431 6.639 1.00 34.31 O ATOM 263 OE2 GLU A 19 -0.798 2.299 6.251 1.00 21.53 O ATOM 0 H GLU A 19 -0.880 0.223 3.208 1.00 44.21 H new ATOM 0 HA GLU A 19 -0.904 3.028 3.015 1.00 70.24 H new ATOM 0 HB2 GLU A 19 0.897 0.883 3.801 1.00 3.45 H new ATOM 0 HB3 GLU A 19 1.772 2.092 2.882 1.00 3.45 H new ATOM 0 HG2 GLU A 19 1.983 3.109 4.895 1.00 23.14 H new ATOM 0 HG3 GLU A 19 0.384 3.729 4.535 1.00 23.14 H new ATOM 268 N CYS A 20 0.164 1.427 0.375 1.00 12.33 N ATOM 269 CA CYS A 20 0.556 1.580 -1.021 1.00 35.21 C ATOM 270 C CYS A 20 -0.668 1.767 -1.912 1.00 41.05 C ATOM 271 O CYS A 20 -1.606 0.970 -1.873 1.00 32.13 O ATOM 272 CB CYS A 20 1.355 0.360 -1.484 1.00 53.00 C ATOM 273 SG CYS A 20 3.072 0.735 -1.964 1.00 4.22 S ATOM 0 H CYS A 20 -0.017 0.464 0.659 1.00 12.33 H new ATOM 0 HA CYS A 20 1.182 2.469 -1.102 1.00 35.21 H new ATOM 0 HB2 CYS A 20 1.366 -0.379 -0.683 1.00 53.00 H new ATOM 0 HB3 CYS A 20 0.843 -0.096 -2.332 1.00 53.00 H new ATOM 277 N CYS A 21 -0.653 2.826 -2.715 1.00 12.50 N ATOM 278 CA CYS A 21 -1.760 3.120 -3.616 1.00 4.44 C ATOM 279 C CYS A 21 -1.983 1.972 -4.596 1.00 32.03 C ATOM 280 O CYS A 21 -3.102 1.743 -5.055 1.00 13.43 O ATOM 281 CB CYS A 21 -1.490 4.416 -4.383 1.00 22.10 C ATOM 282 SG CYS A 21 -2.668 5.756 -4.017 1.00 13.22 S ATOM 0 H CYS A 21 0.115 3.495 -2.760 1.00 12.50 H new ATOM 0 HA CYS A 21 -2.662 3.242 -3.016 1.00 4.44 H new ATOM 0 HB2 CYS A 21 -0.482 4.760 -4.151 1.00 22.10 H new ATOM 0 HB3 CYS A 21 -1.517 4.205 -5.452 1.00 22.10 H new ATOM 286 N SER A 22 -0.910 1.254 -4.912 1.00 34.32 N ATOM 287 CA SER A 22 -0.987 0.133 -5.841 1.00 4.02 C ATOM 288 C SER A 22 -1.428 -1.139 -5.121 1.00 60.11 C ATOM 289 O SER A 22 -1.843 -2.112 -5.751 1.00 73.30 O ATOM 290 CB SER A 22 0.367 -0.093 -6.515 1.00 64.11 C ATOM 291 OG SER A 22 0.248 -0.983 -7.612 1.00 30.25 O ATOM 0 H SER A 22 0.023 1.429 -4.538 1.00 34.32 H new ATOM 0 HA SER A 22 -1.728 0.375 -6.603 1.00 4.02 H new ATOM 0 HB2 SER A 22 0.770 0.860 -6.858 1.00 64.11 H new ATOM 0 HB3 SER A 22 1.075 -0.496 -5.791 1.00 64.11 H new ATOM 0 HG SER A 22 -0.497 -1.600 -7.454 1.00 30.25 H new ATOM 296 N LYS A 23 -1.335 -1.123 -3.796 1.00 41.13 N ATOM 297 CA LYS A 23 -1.724 -2.272 -2.987 1.00 41.04 C ATOM 298 C LYS A 23 -0.820 -3.469 -3.272 1.00 44.22 C ATOM 299 O LYS A 23 -1.298 -4.590 -3.449 1.00 31.24 O ATOM 300 CB LYS A 23 -3.182 -2.644 -3.261 1.00 71.41 C ATOM 301 CG LYS A 23 -4.140 -1.470 -3.155 1.00 25.51 C ATOM 302 CD LYS A 23 -5.076 -1.619 -1.968 1.00 62.54 C ATOM 303 CE LYS A 23 -6.170 -0.563 -1.984 1.00 63.21 C ATOM 304 NZ LYS A 23 -7.098 -0.708 -0.829 1.00 71.15 N ATOM 0 H LYS A 23 -0.993 -0.326 -3.259 1.00 41.13 H new ATOM 0 HA LYS A 23 -1.616 -1.999 -1.937 1.00 41.04 H new ATOM 0 HB2 LYS A 23 -3.257 -3.074 -4.260 1.00 71.41 H new ATOM 0 HB3 LYS A 23 -3.489 -3.417 -2.557 1.00 71.41 H new ATOM 0 HG2 LYS A 23 -3.573 -0.544 -3.058 1.00 25.51 H new ATOM 0 HG3 LYS A 23 -4.724 -1.392 -4.072 1.00 25.51 H new ATOM 0 HD2 LYS A 23 -5.527 -2.611 -1.981 1.00 62.54 H new ATOM 0 HD3 LYS A 23 -4.506 -1.540 -1.042 1.00 62.54 H new ATOM 0 HE2 LYS A 23 -5.718 0.429 -1.964 1.00 63.21 H new ATOM 0 HE3 LYS A 23 -6.733 -0.638 -2.914 1.00 63.21 H new ATOM 0 HZ1 LYS A 23 -7.829 0.030 -0.876 1.00 71.15 H new ATOM 0 HZ2 LYS A 23 -7.549 -1.645 -0.862 1.00 71.15 H new ATOM 0 HZ3 LYS A 23 -6.565 -0.611 0.059 1.00 71.15 H new ATOM 314 N ARG A 24 0.484 -3.222 -3.312 1.00 21.34 N ATOM 315 CA ARG A 24 1.453 -4.280 -3.575 1.00 21.41 C ATOM 316 C ARG A 24 2.559 -4.278 -2.523 1.00 0.40 C ATOM 317 O ARG A 24 3.708 -4.611 -2.814 1.00 5.40 O ATOM 318 CB ARG A 24 2.061 -4.110 -4.969 1.00 31.31 C ATOM 319 CG ARG A 24 1.471 -5.048 -6.009 1.00 1.11 C ATOM 320 CD ARG A 24 1.728 -6.504 -5.654 1.00 22.03 C ATOM 321 NE ARG A 24 0.565 -7.127 -5.028 1.00 72.42 N ATOM 322 CZ ARG A 24 0.369 -8.440 -4.986 1.00 51.15 C ATOM 323 NH1 ARG A 24 1.254 -9.264 -5.530 1.00 0.15 N ATOM 324 NH2 ARG A 24 -0.714 -8.932 -4.398 1.00 2.41 N ATOM 0 H ARG A 24 0.895 -2.300 -3.166 1.00 21.34 H new ATOM 0 HA ARG A 24 0.931 -5.236 -3.528 1.00 21.41 H new ATOM 0 HB2 ARG A 24 1.916 -3.081 -5.296 1.00 31.31 H new ATOM 0 HB3 ARG A 24 3.137 -4.277 -4.910 1.00 31.31 H new ATOM 0 HG2 ARG A 24 0.398 -4.876 -6.089 1.00 1.11 H new ATOM 0 HG3 ARG A 24 1.903 -4.829 -6.985 1.00 1.11 H new ATOM 0 HD2 ARG A 24 1.994 -7.056 -6.556 1.00 22.03 H new ATOM 0 HD3 ARG A 24 2.581 -6.568 -4.979 1.00 22.03 H new ATOM 0 HE ARG A 24 -0.135 -6.521 -4.600 1.00 72.42 H new ATOM 0 HH11 ARG A 24 2.088 -8.890 -5.982 1.00 0.15 H new ATOM 0 HH12 ARG A 24 1.101 -10.272 -5.496 1.00 0.15 H new ATOM 0 HH21 ARG A 24 -1.397 -8.302 -3.978 1.00 2.41 H new ATOM 0 HH22 ARG A 24 -0.864 -9.940 -4.366 1.00 2.41 H new ATOM 335 N CYS A 25 2.203 -3.901 -1.299 1.00 43.43 N ATOM 336 CA CYS A 25 3.163 -3.855 -0.203 1.00 42.23 C ATOM 337 C CYS A 25 3.250 -5.206 0.501 1.00 34.23 C ATOM 338 O CYS A 25 2.282 -5.966 0.533 1.00 13.14 O ATOM 339 CB CYS A 25 2.772 -2.769 0.799 1.00 20.11 C ATOM 340 SG CYS A 25 4.164 -2.129 1.784 1.00 35.53 S ATOM 0 H CYS A 25 1.256 -3.623 -1.042 1.00 43.43 H new ATOM 0 HA CYS A 25 4.142 -3.619 -0.620 1.00 42.23 H new ATOM 0 HB2 CYS A 25 2.312 -1.941 0.260 1.00 20.11 H new ATOM 0 HB3 CYS A 25 2.016 -3.169 1.475 1.00 20.11 H new ATOM 344 N LEU A 26 4.418 -5.498 1.065 1.00 72.20 N ATOM 345 CA LEU A 26 4.632 -6.758 1.770 1.00 55.12 C ATOM 346 C LEU A 26 5.301 -6.519 3.119 1.00 43.12 C ATOM 347 O LEU A 26 6.048 -5.555 3.292 1.00 44.04 O ATOM 348 CB LEU A 26 5.488 -7.700 0.922 1.00 32.20 C ATOM 349 CG LEU A 26 5.545 -9.156 1.386 1.00 51.14 C ATOM 350 CD1 LEU A 26 4.300 -9.907 0.941 1.00 41.23 C ATOM 351 CD2 LEU A 26 6.798 -9.836 0.856 1.00 33.40 C ATOM 0 H LEU A 26 5.230 -4.881 1.048 1.00 72.20 H new ATOM 0 HA LEU A 26 3.660 -7.219 1.944 1.00 55.12 H new ATOM 0 HB2 LEU A 26 5.111 -7.680 -0.100 1.00 32.20 H new ATOM 0 HB3 LEU A 26 6.505 -7.308 0.894 1.00 32.20 H new ATOM 0 HG LEU A 26 5.582 -9.169 2.475 1.00 51.14 H new ATOM 0 HD11 LEU A 26 4.358 -10.941 1.280 1.00 41.23 H new ATOM 0 HD12 LEU A 26 3.417 -9.434 1.370 1.00 41.23 H new ATOM 0 HD13 LEU A 26 4.231 -9.885 -0.147 1.00 41.23 H new ATOM 0 HD21 LEU A 26 6.822 -10.871 1.196 1.00 33.40 H new ATOM 0 HD22 LEU A 26 6.792 -9.812 -0.234 1.00 33.40 H new ATOM 0 HD23 LEU A 26 7.680 -9.313 1.225 1.00 33.40 H new ATOM 362 N PHE A 27 5.032 -7.404 4.073 1.00 74.42 N ATOM 363 CA PHE A 27 5.611 -7.291 5.406 1.00 12.34 C ATOM 364 C PHE A 27 7.119 -7.513 5.366 1.00 21.32 C ATOM 365 O PHE A 27 7.860 -6.962 6.181 1.00 65.24 O ATOM 366 CB PHE A 27 4.960 -8.301 6.354 1.00 52.45 C ATOM 367 CG PHE A 27 3.628 -7.854 6.885 1.00 34.22 C ATOM 368 CD1 PHE A 27 2.588 -7.554 6.020 1.00 21.20 C ATOM 369 CD2 PHE A 27 3.415 -7.732 8.249 1.00 13.42 C ATOM 370 CE1 PHE A 27 1.361 -7.142 6.505 1.00 44.41 C ATOM 371 CE2 PHE A 27 2.190 -7.322 8.740 1.00 22.04 C ATOM 372 CZ PHE A 27 1.162 -7.025 7.866 1.00 55.32 C ATOM 0 H PHE A 27 4.416 -8.208 3.947 1.00 74.42 H new ATOM 0 HA PHE A 27 5.421 -6.282 5.773 1.00 12.34 H new ATOM 0 HB2 PHE A 27 4.834 -9.249 5.831 1.00 52.45 H new ATOM 0 HB3 PHE A 27 5.632 -8.486 7.192 1.00 52.45 H new ATOM 0 HD1 PHE A 27 2.738 -7.643 4.954 1.00 21.20 H new ATOM 0 HD2 PHE A 27 4.216 -7.960 8.937 1.00 13.42 H new ATOM 0 HE1 PHE A 27 0.559 -6.912 5.820 1.00 44.41 H new ATOM 0 HE2 PHE A 27 2.036 -7.234 9.805 1.00 22.04 H new ATOM 0 HZ PHE A 27 0.204 -6.702 8.247 1.00 55.32 H new ATOM 381 N TYR A 28 7.568 -8.323 4.413 1.00 24.15 N ATOM 382 CA TYR A 28 8.987 -8.621 4.268 1.00 42.22 C ATOM 383 C TYR A 28 9.677 -7.571 3.403 1.00 64.32 C ATOM 384 O TYR A 28 10.708 -7.017 3.784 1.00 52.42 O ATOM 385 CB TYR A 28 9.178 -10.009 3.656 1.00 43.05 C ATOM 386 CG TYR A 28 8.680 -11.133 4.536 1.00 43.42 C ATOM 387 CD1 TYR A 28 7.395 -11.639 4.391 1.00 4.24 C ATOM 388 CD2 TYR A 28 9.496 -11.689 5.514 1.00 65.43 C ATOM 389 CE1 TYR A 28 6.935 -12.666 5.193 1.00 31.12 C ATOM 390 CE2 TYR A 28 9.045 -12.717 6.320 1.00 14.24 C ATOM 391 CZ TYR A 28 7.764 -13.201 6.156 1.00 71.23 C ATOM 392 OH TYR A 28 7.312 -14.224 6.958 1.00 4.41 O ATOM 0 H TYR A 28 6.968 -8.785 3.729 1.00 24.15 H new ATOM 0 HA TYR A 28 9.440 -8.604 5.259 1.00 42.22 H new ATOM 0 HB2 TYR A 28 8.657 -10.050 2.699 1.00 43.05 H new ATOM 0 HB3 TYR A 28 10.237 -10.163 3.449 1.00 43.05 H new ATOM 0 HD1 TYR A 28 6.743 -11.222 3.638 1.00 4.24 H new ATOM 0 HD2 TYR A 28 10.499 -11.311 5.646 1.00 65.43 H new ATOM 0 HE1 TYR A 28 5.932 -13.047 5.066 1.00 31.12 H new ATOM 0 HE2 TYR A 28 9.692 -13.139 7.074 1.00 14.24 H new ATOM 0 HH TYR A 28 8.020 -14.487 7.583 1.00 4.41 H new ATOM 401 N ALA A 29 9.102 -7.304 2.236 1.00 61.12 N ATOM 402 CA ALA A 29 9.659 -6.320 1.316 1.00 21.34 C ATOM 403 C ALA A 29 9.537 -4.909 1.883 1.00 24.31 C ATOM 404 O ALA A 29 10.456 -4.100 1.761 1.00 43.14 O ATOM 405 CB ALA A 29 8.968 -6.410 -0.036 1.00 2.14 C ATOM 0 H ALA A 29 8.250 -7.756 1.905 1.00 61.12 H new ATOM 0 HA ALA A 29 10.718 -6.540 1.184 1.00 21.34 H new ATOM 0 HB1 ALA A 29 9.394 -5.669 -0.713 1.00 2.14 H new ATOM 0 HB2 ALA A 29 9.112 -7.407 -0.452 1.00 2.14 H new ATOM 0 HB3 ALA A 29 7.902 -6.218 0.087 1.00 2.14 H new ATOM 411 N ALA A 30 8.396 -4.621 2.500 1.00 71.15 N ATOM 412 CA ALA A 30 8.154 -3.308 3.085 1.00 3.03 C ATOM 413 C ALA A 30 8.168 -2.220 2.018 1.00 12.05 C ATOM 414 O ALA A 30 8.172 -1.028 2.329 1.00 32.52 O ATOM 415 CB ALA A 30 9.192 -3.011 4.159 1.00 72.24 C ATOM 0 H ALA A 30 7.624 -5.279 2.608 1.00 71.15 H new ATOM 0 HA ALA A 30 7.165 -3.317 3.543 1.00 3.03 H new ATOM 0 HB1 ALA A 30 9.000 -2.028 4.588 1.00 72.24 H new ATOM 0 HB2 ALA A 30 9.132 -3.767 4.942 1.00 72.24 H new ATOM 0 HB3 ALA A 30 10.188 -3.026 3.716 1.00 72.24 H new ATOM 421 N LYS A 31 8.177 -2.636 0.755 1.00 34.24 N ATOM 422 CA LYS A 31 8.190 -1.696 -0.360 1.00 22.22 C ATOM 423 C LYS A 31 7.311 -2.197 -1.501 1.00 22.40 C ATOM 424 O LYS A 31 7.298 -3.387 -1.814 1.00 1.32 O ATOM 425 CB LYS A 31 9.621 -1.486 -0.859 1.00 4.22 C ATOM 426 CG LYS A 31 9.697 -0.947 -2.277 1.00 12.42 C ATOM 427 CD LYS A 31 9.843 -2.068 -3.293 1.00 61.02 C ATOM 428 CE LYS A 31 11.281 -2.550 -3.389 1.00 62.44 C ATOM 429 NZ LYS A 31 11.361 -3.979 -3.799 1.00 3.33 N ATOM 0 H LYS A 31 8.176 -3.618 0.479 1.00 34.24 H new ATOM 0 HA LYS A 31 7.792 -0.745 -0.007 1.00 22.22 H new ATOM 0 HB2 LYS A 31 10.133 -0.796 -0.189 1.00 4.22 H new ATOM 0 HB3 LYS A 31 10.157 -2.434 -0.810 1.00 4.22 H new ATOM 0 HG2 LYS A 31 8.798 -0.370 -2.497 1.00 12.42 H new ATOM 0 HG3 LYS A 31 10.543 -0.265 -2.363 1.00 12.42 H new ATOM 0 HD2 LYS A 31 9.197 -2.900 -3.013 1.00 61.02 H new ATOM 0 HD3 LYS A 31 9.509 -1.720 -4.270 1.00 61.02 H new ATOM 0 HE2 LYS A 31 11.823 -1.935 -4.108 1.00 62.44 H new ATOM 0 HE3 LYS A 31 11.772 -2.421 -2.425 1.00 62.44 H new ATOM 0 HZ1 LYS A 31 12.350 -4.298 -3.755 1.00 3.33 H new ATOM 0 HZ2 LYS A 31 10.782 -4.557 -3.158 1.00 3.33 H new ATOM 0 HZ3 LYS A 31 11.008 -4.081 -4.772 1.00 3.33 H new ATOM 439 N CYS A 32 6.577 -1.278 -2.122 1.00 14.43 N ATOM 440 CA CYS A 32 5.695 -1.624 -3.230 1.00 55.04 C ATOM 441 C CYS A 32 6.445 -2.420 -4.295 1.00 42.15 C ATOM 442 O CYS A 32 7.347 -1.900 -4.952 1.00 65.14 O ATOM 443 CB CYS A 32 5.098 -0.359 -3.849 1.00 44.43 C ATOM 444 SG CYS A 32 3.288 -0.236 -3.689 1.00 21.24 S ATOM 0 H CYS A 32 6.576 -0.288 -1.876 1.00 14.43 H new ATOM 0 HA CYS A 32 4.888 -2.244 -2.839 1.00 55.04 H new ATOM 0 HB2 CYS A 32 5.554 0.512 -3.379 1.00 44.43 H new ATOM 0 HB3 CYS A 32 5.362 -0.325 -4.906 1.00 44.43 H new ATOM 448 N VAL A 33 6.065 -3.683 -4.459 1.00 0.54 N ATOM 449 CA VAL A 33 6.701 -4.550 -5.445 1.00 35.11 C ATOM 450 C VAL A 33 5.705 -4.993 -6.511 1.00 1.55 C ATOM 451 O VAL A 33 4.592 -5.413 -6.198 1.00 55.23 O ATOM 452 CB VAL A 33 7.315 -5.797 -4.782 1.00 31.33 C ATOM 453 CG1 VAL A 33 8.671 -5.469 -4.176 1.00 71.52 C ATOM 454 CG2 VAL A 33 6.372 -6.358 -3.726 1.00 3.21 C ATOM 0 H VAL A 33 5.321 -4.129 -3.923 1.00 0.54 H new ATOM 0 HA VAL A 33 7.495 -3.968 -5.913 1.00 35.11 H new ATOM 0 HB VAL A 33 7.461 -6.558 -5.548 1.00 31.33 H new ATOM 0 HG11 VAL A 33 9.088 -6.363 -3.712 1.00 71.52 H new ATOM 0 HG12 VAL A 33 9.344 -5.118 -4.958 1.00 71.52 H new ATOM 0 HG13 VAL A 33 8.554 -4.690 -3.422 1.00 71.52 H new ATOM 0 HG21 VAL A 33 6.822 -7.239 -3.268 1.00 3.21 H new ATOM 0 HG22 VAL A 33 6.192 -5.603 -2.961 1.00 3.21 H new ATOM 0 HG23 VAL A 33 5.426 -6.635 -4.193 1.00 3.21 H new ATOM 464 N SER A 34 6.114 -4.894 -7.772 1.00 34.41 N ATOM 465 CA SER A 34 5.257 -5.282 -8.886 1.00 1.31 C ATOM 466 C SER A 34 4.747 -6.709 -8.709 1.00 14.03 C ATOM 467 O SER A 34 5.425 -7.552 -8.126 1.00 14.13 O ATOM 468 CB SER A 34 6.017 -5.160 -10.208 1.00 75.31 C ATOM 469 OG SER A 34 5.487 -6.041 -11.183 1.00 52.24 O ATOM 0 H SER A 34 7.033 -4.548 -8.047 1.00 34.41 H new ATOM 0 HA SER A 34 4.400 -4.609 -8.904 1.00 1.31 H new ATOM 0 HB2 SER A 34 5.960 -4.134 -10.571 1.00 75.31 H new ATOM 0 HB3 SER A 34 7.072 -5.383 -10.047 1.00 75.31 H new ATOM 0 HG SER A 34 5.988 -5.943 -12.019 1.00 52.24 H new TER 474 SER A 34