USER MOD reduce.3.24.130724 H: found=0, std=0, add=277, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 276 hydrogens (11 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 NoAdj-H: A 18 ACAHN62 : A 18 ACA N6 : A 17 LYS C :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -112:sc= 0.0755 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -123:sc= -0.181 (180deg=-2.81!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -1.15 K(o=-1.1,f=-3.2!) USER MOD Single : A 22 GLN : amide:sc= -0.159 K(o=-0.16,f=-1.6!) USER MOD Single : A 29 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.122) USER MOD Single : A 32 SER OG : rot 170:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -1.36! C(o=-1.4!,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -24.593 -1.147 -4.131 1.00 13.14 N ATOM 2 CA GLY A 1 -24.907 -0.077 -3.199 1.00 13.43 C ATOM 3 C GLY A 1 -24.181 1.213 -3.582 1.00 41.12 C ATOM 4 O GLY A 1 -23.153 1.175 -4.257 1.00 70.23 O ATOM 0 H1 GLY A 1 -25.441 -1.387 -4.683 1.00 13.14 H new ATOM 0 H2 GLY A 1 -23.838 -0.836 -4.775 1.00 13.14 H new ATOM 0 H3 GLY A 1 -24.275 -1.985 -3.603 1.00 13.14 H new ATOM 0 HA2 GLY A 1 -25.983 0.096 -3.188 1.00 13.43 H new ATOM 0 HA3 GLY A 1 -24.622 -0.373 -2.190 1.00 13.43 H new ATOM 8 N ILE A 2 -24.744 2.326 -3.135 1.00 71.24 N ATOM 9 CA ILE A 2 -24.163 3.626 -3.423 1.00 72.53 C ATOM 10 C ILE A 2 -23.646 4.248 -2.123 1.00 61.24 C ATOM 11 O ILE A 2 -24.211 5.224 -1.631 1.00 15.22 O ATOM 12 CB ILE A 2 -25.165 4.508 -4.170 1.00 20.03 C ATOM 13 CG1 ILE A 2 -25.869 3.721 -5.277 1.00 32.14 C ATOM 14 CG2 ILE A 2 -24.491 5.772 -4.705 1.00 42.32 C ATOM 15 CD1 ILE A 2 -27.304 3.373 -4.875 1.00 51.34 C ATOM 0 H ILE A 2 -25.596 2.354 -2.576 1.00 71.24 H new ATOM 0 HA ILE A 2 -23.307 3.521 -4.090 1.00 72.53 H new ATOM 0 HB ILE A 2 -25.932 4.827 -3.464 1.00 20.03 H new ATOM 0 HG12 ILE A 2 -25.877 4.307 -6.196 1.00 32.14 H new ATOM 0 HG13 ILE A 2 -25.314 2.806 -5.487 1.00 32.14 H new ATOM 0 HG21 ILE A 2 -25.226 6.381 -5.232 1.00 42.32 H new ATOM 0 HG22 ILE A 2 -24.076 6.342 -3.874 1.00 42.32 H new ATOM 0 HG23 ILE A 2 -23.691 5.495 -5.391 1.00 42.32 H new ATOM 0 HD11 ILE A 2 -27.782 2.814 -5.679 1.00 51.34 H new ATOM 0 HD12 ILE A 2 -27.291 2.767 -3.969 1.00 51.34 H new ATOM 0 HD13 ILE A 2 -27.863 4.290 -4.689 1.00 51.34 H new ATOM 27 N GLY A 3 -22.580 3.658 -1.605 1.00 41.42 N ATOM 28 CA GLY A 3 -21.981 4.141 -0.373 1.00 74.20 C ATOM 29 C GLY A 3 -20.459 4.237 -0.503 1.00 2.15 C ATOM 30 O GLY A 3 -19.844 3.455 -1.226 1.00 11.22 O ATOM 0 H GLY A 3 -22.115 2.849 -2.016 1.00 41.42 H new ATOM 0 HA2 GLY A 3 -22.391 5.120 -0.125 1.00 74.20 H new ATOM 0 HA3 GLY A 3 -22.238 3.471 0.447 1.00 74.20 H new ATOM 34 N ALA A 4 -19.896 5.202 0.208 1.00 35.20 N ATOM 35 CA ALA A 4 -18.458 5.410 0.182 1.00 25.23 C ATOM 36 C ALA A 4 -17.757 4.166 0.732 1.00 0.34 C ATOM 37 O ALA A 4 -16.612 3.887 0.379 1.00 74.24 O ATOM 38 CB ALA A 4 -18.110 6.673 0.973 1.00 13.25 C ATOM 0 H ALA A 4 -20.410 5.849 0.806 1.00 35.20 H new ATOM 0 HA ALA A 4 -18.110 5.560 -0.840 1.00 25.23 H new ATOM 0 HB1 ALA A 4 -17.031 6.829 0.953 1.00 13.25 H new ATOM 0 HB2 ALA A 4 -18.609 7.532 0.525 1.00 13.25 H new ATOM 0 HB3 ALA A 4 -18.441 6.559 2.005 1.00 13.25 H new ATOM 44 N PHE A 5 -18.474 3.451 1.586 1.00 23.12 N ATOM 45 CA PHE A 5 -17.935 2.243 2.187 1.00 1.22 C ATOM 46 C PHE A 5 -18.072 1.050 1.239 1.00 51.40 C ATOM 47 O PHE A 5 -17.634 -0.055 1.558 1.00 63.25 O ATOM 48 CB PHE A 5 -18.752 1.970 3.452 1.00 21.45 C ATOM 49 CG PHE A 5 -19.195 3.234 4.191 1.00 23.03 C ATOM 50 CD1 PHE A 5 -18.276 4.167 4.554 1.00 73.13 C ATOM 51 CD2 PHE A 5 -20.510 3.424 4.485 1.00 4.52 C ATOM 52 CE1 PHE A 5 -18.687 5.341 5.240 1.00 21.12 C ATOM 53 CE2 PHE A 5 -20.922 4.597 5.171 1.00 52.53 C ATOM 54 CZ PHE A 5 -20.001 5.531 5.535 1.00 2.41 C ATOM 0 H PHE A 5 -19.423 3.685 1.876 1.00 23.12 H new ATOM 0 HA PHE A 5 -16.876 2.378 2.407 1.00 1.22 H new ATOM 0 HB2 PHE A 5 -19.635 1.390 3.184 1.00 21.45 H new ATOM 0 HB3 PHE A 5 -18.160 1.354 4.129 1.00 21.45 H new ATOM 0 HD1 PHE A 5 -17.232 4.016 4.321 1.00 73.13 H new ATOM 0 HD2 PHE A 5 -21.240 2.683 4.197 1.00 4.52 H new ATOM 0 HE1 PHE A 5 -17.956 6.083 5.527 1.00 21.12 H new ATOM 0 HE2 PHE A 5 -21.966 4.748 5.404 1.00 52.53 H new ATOM 0 HZ PHE A 5 -20.314 6.423 6.058 1.00 2.41 H new ATOM 64 N GLY A 6 -18.681 1.313 0.093 1.00 45.24 N ATOM 65 CA GLY A 6 -18.881 0.275 -0.905 1.00 15.31 C ATOM 66 C GLY A 6 -17.610 0.053 -1.727 1.00 4.11 C ATOM 67 O GLY A 6 -16.578 -0.342 -1.188 1.00 60.43 O ATOM 0 H GLY A 6 -19.043 2.230 -0.168 1.00 45.24 H new ATOM 0 HA2 GLY A 6 -19.169 -0.655 -0.415 1.00 15.31 H new ATOM 0 HA3 GLY A 6 -19.702 0.554 -1.566 1.00 15.31 H new ATOM 71 N LEU A 7 -17.728 0.317 -3.021 1.00 31.13 N ATOM 72 CA LEU A 7 -16.601 0.151 -3.923 1.00 2.44 C ATOM 73 C LEU A 7 -15.563 1.239 -3.642 1.00 73.22 C ATOM 74 O LEU A 7 -14.384 1.073 -3.951 1.00 4.01 O ATOM 75 CB LEU A 7 -17.079 0.118 -5.377 1.00 74.23 C ATOM 76 CG LEU A 7 -16.576 -1.053 -6.222 1.00 14.30 C ATOM 77 CD1 LEU A 7 -17.740 -1.802 -6.872 1.00 4.22 C ATOM 78 CD2 LEU A 7 -15.549 -0.582 -7.255 1.00 33.44 C ATOM 0 H LEU A 7 -18.586 0.644 -3.465 1.00 31.13 H new ATOM 0 HA LEU A 7 -16.113 -0.808 -3.750 1.00 2.44 H new ATOM 0 HB2 LEU A 7 -18.169 0.100 -5.380 1.00 74.23 H new ATOM 0 HB3 LEU A 7 -16.774 1.046 -5.860 1.00 74.23 H new ATOM 0 HG LEU A 7 -16.070 -1.757 -5.562 1.00 14.30 H new ATOM 0 HD11 LEU A 7 -17.353 -2.629 -7.467 1.00 4.22 H new ATOM 0 HD12 LEU A 7 -18.401 -2.190 -6.097 1.00 4.22 H new ATOM 0 HD13 LEU A 7 -18.296 -1.121 -7.516 1.00 4.22 H new ATOM 0 HD21 LEU A 7 -15.207 -1.434 -7.843 1.00 33.44 H new ATOM 0 HD22 LEU A 7 -16.008 0.154 -7.915 1.00 33.44 H new ATOM 0 HD23 LEU A 7 -14.699 -0.130 -6.743 1.00 33.44 H new ATOM 90 N LEU A 8 -16.038 2.330 -3.059 1.00 24.33 N ATOM 91 CA LEU A 8 -15.167 3.444 -2.733 1.00 70.35 C ATOM 92 C LEU A 8 -14.216 3.030 -1.608 1.00 74.15 C ATOM 93 O LEU A 8 -13.158 3.633 -1.432 1.00 13.53 O ATOM 94 CB LEU A 8 -15.991 4.694 -2.413 1.00 30.34 C ATOM 95 CG LEU A 8 -15.861 5.854 -3.401 1.00 60.12 C ATOM 96 CD1 LEU A 8 -14.392 6.180 -3.674 1.00 44.34 C ATOM 97 CD2 LEU A 8 -16.634 5.566 -4.689 1.00 61.01 C ATOM 0 H LEU A 8 -17.016 2.465 -2.804 1.00 24.33 H new ATOM 0 HA LEU A 8 -14.550 3.709 -3.592 1.00 70.35 H new ATOM 0 HB2 LEU A 8 -17.041 4.408 -2.356 1.00 30.34 H new ATOM 0 HB3 LEU A 8 -15.703 5.051 -1.424 1.00 30.34 H new ATOM 0 HG LEU A 8 -16.308 6.740 -2.949 1.00 60.12 H new ATOM 0 HD11 LEU A 8 -14.328 7.008 -4.380 1.00 44.34 H new ATOM 0 HD12 LEU A 8 -13.902 6.459 -2.741 1.00 44.34 H new ATOM 0 HD13 LEU A 8 -13.897 5.305 -4.096 1.00 44.34 H new ATOM 0 HD21 LEU A 8 -16.525 6.407 -5.374 1.00 61.01 H new ATOM 0 HD22 LEU A 8 -16.240 4.664 -5.156 1.00 61.01 H new ATOM 0 HD23 LEU A 8 -17.689 5.422 -4.456 1.00 61.01 H new ATOM 109 N GLY A 9 -14.626 2.006 -0.876 1.00 24.33 N ATOM 110 CA GLY A 9 -13.825 1.504 0.227 1.00 54.22 C ATOM 111 C GLY A 9 -12.944 0.337 -0.223 1.00 13.33 C ATOM 112 O GLY A 9 -12.032 -0.070 0.496 1.00 53.31 O ATOM 0 H GLY A 9 -15.504 1.509 -1.025 1.00 24.33 H new ATOM 0 HA2 GLY A 9 -13.200 2.305 0.622 1.00 54.22 H new ATOM 0 HA3 GLY A 9 -14.478 1.180 1.038 1.00 54.22 H new ATOM 116 N PHE A 10 -13.246 -0.169 -1.409 1.00 61.43 N ATOM 117 CA PHE A 10 -12.494 -1.282 -1.963 1.00 40.13 C ATOM 118 C PHE A 10 -11.080 -0.846 -2.355 1.00 60.44 C ATOM 119 O PHE A 10 -10.135 -1.626 -2.251 1.00 41.10 O ATOM 120 CB PHE A 10 -13.238 -1.745 -3.217 1.00 31.02 C ATOM 121 CG PHE A 10 -12.683 -3.032 -3.829 1.00 2.25 C ATOM 122 CD1 PHE A 10 -13.194 -4.237 -3.459 1.00 30.34 C ATOM 123 CD2 PHE A 10 -11.679 -2.973 -4.744 1.00 75.33 C ATOM 124 CE1 PHE A 10 -12.679 -5.432 -4.028 1.00 32.54 C ATOM 125 CE2 PHE A 10 -11.163 -4.168 -5.312 1.00 64.42 C ATOM 126 CZ PHE A 10 -11.675 -5.373 -4.942 1.00 41.13 C ATOM 0 H PHE A 10 -14.002 0.172 -2.003 1.00 61.43 H new ATOM 0 HA PHE A 10 -12.409 -2.078 -1.224 1.00 40.13 H new ATOM 0 HB2 PHE A 10 -14.289 -1.896 -2.969 1.00 31.02 H new ATOM 0 HB3 PHE A 10 -13.198 -0.953 -3.964 1.00 31.02 H new ATOM 0 HD1 PHE A 10 -13.992 -4.285 -2.732 1.00 30.34 H new ATOM 0 HD2 PHE A 10 -11.274 -2.016 -5.039 1.00 75.33 H new ATOM 0 HE1 PHE A 10 -13.086 -6.388 -3.734 1.00 32.54 H new ATOM 0 HE2 PHE A 10 -10.364 -4.120 -6.037 1.00 64.42 H new ATOM 0 HZ PHE A 10 -11.284 -6.282 -5.374 1.00 41.13 H new ATOM 136 N LEU A 11 -10.981 0.399 -2.799 1.00 32.54 N ATOM 137 CA LEU A 11 -9.699 0.948 -3.206 1.00 42.04 C ATOM 138 C LEU A 11 -8.876 1.291 -1.963 1.00 33.40 C ATOM 139 O LEU A 11 -7.693 0.965 -1.887 1.00 45.30 O ATOM 140 CB LEU A 11 -9.901 2.131 -4.156 1.00 11.31 C ATOM 141 CG LEU A 11 -10.424 1.788 -5.552 1.00 23.13 C ATOM 142 CD1 LEU A 11 -9.686 0.581 -6.133 1.00 51.51 C ATOM 143 CD2 LEU A 11 -11.940 1.578 -5.533 1.00 72.02 C ATOM 0 H LEU A 11 -11.768 1.043 -2.886 1.00 32.54 H new ATOM 0 HA LEU A 11 -9.130 0.209 -3.770 1.00 42.04 H new ATOM 0 HB2 LEU A 11 -10.596 2.830 -3.691 1.00 11.31 H new ATOM 0 HB3 LEU A 11 -8.949 2.651 -4.264 1.00 11.31 H new ATOM 0 HG LEU A 11 -10.224 2.634 -6.209 1.00 23.13 H new ATOM 0 HD11 LEU A 11 -10.077 0.359 -7.126 1.00 51.51 H new ATOM 0 HD12 LEU A 11 -8.622 0.805 -6.204 1.00 51.51 H new ATOM 0 HD13 LEU A 11 -9.832 -0.282 -5.484 1.00 51.51 H new ATOM 0 HD21 LEU A 11 -12.286 1.335 -6.538 1.00 72.02 H new ATOM 0 HD22 LEU A 11 -12.185 0.759 -4.857 1.00 72.02 H new ATOM 0 HD23 LEU A 11 -12.429 2.490 -5.191 1.00 72.02 H new ATOM 155 N ALA A 12 -9.536 1.945 -1.018 1.00 23.24 N ATOM 156 CA ALA A 12 -8.882 2.336 0.218 1.00 15.35 C ATOM 157 C ALA A 12 -8.250 1.103 0.868 1.00 30.43 C ATOM 158 O ALA A 12 -7.242 1.211 1.564 1.00 54.33 O ATOM 159 CB ALA A 12 -9.892 3.026 1.137 1.00 2.10 C ATOM 0 H ALA A 12 -10.518 2.214 -1.084 1.00 23.24 H new ATOM 0 HA ALA A 12 -8.083 3.050 0.019 1.00 15.35 H new ATOM 0 HB1 ALA A 12 -9.399 3.319 2.064 1.00 2.10 H new ATOM 0 HB2 ALA A 12 -10.289 3.912 0.641 1.00 2.10 H new ATOM 0 HB3 ALA A 12 -10.708 2.339 1.361 1.00 2.10 H new ATOM 165 N ALA A 13 -8.870 -0.042 0.618 1.00 74.34 N ATOM 166 CA ALA A 13 -8.382 -1.294 1.170 1.00 72.51 C ATOM 167 C ALA A 13 -6.923 -1.495 0.754 1.00 24.13 C ATOM 168 O ALA A 13 -6.092 -1.894 1.567 1.00 2.22 O ATOM 169 CB ALA A 13 -9.284 -2.441 0.710 1.00 41.11 C ATOM 0 H ALA A 13 -9.706 -0.128 0.040 1.00 74.34 H new ATOM 0 HA ALA A 13 -8.414 -1.272 2.259 1.00 72.51 H new ATOM 0 HB1 ALA A 13 -8.918 -3.380 1.124 1.00 41.11 H new ATOM 0 HB2 ALA A 13 -10.302 -2.264 1.056 1.00 41.11 H new ATOM 0 HB3 ALA A 13 -9.275 -2.497 -0.379 1.00 41.11 H new ATOM 175 N GLY A 14 -6.659 -1.211 -0.513 1.00 51.34 N ATOM 176 CA GLY A 14 -5.315 -1.356 -1.047 1.00 71.11 C ATOM 177 C GLY A 14 -4.332 -0.439 -0.316 1.00 12.23 C ATOM 178 O GLY A 14 -3.165 -0.786 -0.143 1.00 13.43 O ATOM 0 H GLY A 14 -7.352 -0.882 -1.185 1.00 51.34 H new ATOM 0 HA2 GLY A 14 -4.991 -2.392 -0.950 1.00 71.11 H new ATOM 0 HA3 GLY A 14 -5.315 -1.120 -2.111 1.00 71.11 H new ATOM 182 N SER A 15 -4.841 0.713 0.095 1.00 32.24 N ATOM 183 CA SER A 15 -4.022 1.682 0.804 1.00 41.24 C ATOM 184 C SER A 15 -3.647 1.140 2.185 1.00 1.14 C ATOM 185 O SER A 15 -2.613 1.507 2.739 1.00 13.11 O ATOM 186 CB SER A 15 -4.749 3.022 0.940 1.00 55.44 C ATOM 187 OG SER A 15 -4.863 3.432 2.299 1.00 71.02 O ATOM 0 H SER A 15 -5.810 0.997 -0.049 1.00 32.24 H new ATOM 0 HA SER A 15 -3.113 1.849 0.227 1.00 41.24 H new ATOM 0 HB2 SER A 15 -4.212 3.784 0.375 1.00 55.44 H new ATOM 0 HB3 SER A 15 -5.743 2.941 0.501 1.00 55.44 H new ATOM 0 HG SER A 15 -5.331 4.292 2.343 1.00 71.02 H new ATOM 193 N LYS A 16 -4.509 0.275 2.699 1.00 12.34 N ATOM 194 CA LYS A 16 -4.280 -0.322 4.005 1.00 41.03 C ATOM 195 C LYS A 16 -3.078 -1.265 3.926 1.00 52.41 C ATOM 196 O LYS A 16 -2.427 -1.532 4.935 1.00 33.11 O ATOM 197 CB LYS A 16 -5.556 -0.993 4.517 1.00 31.14 C ATOM 198 CG LYS A 16 -6.745 -0.032 4.454 1.00 74.14 C ATOM 199 CD LYS A 16 -7.726 -0.298 5.597 1.00 71.44 C ATOM 200 CE LYS A 16 -8.200 -1.752 5.586 1.00 51.01 C ATOM 201 NZ LYS A 16 -9.283 -1.937 4.595 1.00 41.02 N ATOM 0 H LYS A 16 -5.366 -0.027 2.236 1.00 12.34 H new ATOM 0 HA LYS A 16 -4.035 0.446 4.738 1.00 41.03 H new ATOM 0 HB2 LYS A 16 -5.769 -1.880 3.920 1.00 31.14 H new ATOM 0 HB3 LYS A 16 -5.408 -1.327 5.544 1.00 31.14 H new ATOM 0 HG2 LYS A 16 -6.389 0.997 4.508 1.00 74.14 H new ATOM 0 HG3 LYS A 16 -7.256 -0.143 3.498 1.00 74.14 H new ATOM 0 HD2 LYS A 16 -7.248 -0.075 6.551 1.00 71.44 H new ATOM 0 HD3 LYS A 16 -8.584 0.368 5.507 1.00 71.44 H new ATOM 0 HE2 LYS A 16 -7.365 -2.411 5.348 1.00 51.01 H new ATOM 0 HE3 LYS A 16 -8.555 -2.032 6.578 1.00 51.01 H new ATOM 0 HZ1 LYS A 16 -10.126 -2.320 5.069 1.00 41.02 H new ATOM 0 HZ2 LYS A 16 -9.516 -1.021 4.160 1.00 41.02 H new ATOM 0 HZ3 LYS A 16 -8.969 -2.600 3.858 1.00 41.02 H new ATOM 214 N LYS A 17 -2.820 -1.745 2.718 1.00 52.14 N ATOM 215 CA LYS A 17 -1.708 -2.652 2.495 1.00 12.41 C ATOM 216 C LYS A 17 -0.471 -1.847 2.089 1.00 41.00 C ATOM 217 O LYS A 17 0.524 -1.821 2.812 1.00 21.51 O ATOM 218 CB LYS A 17 -2.094 -3.736 1.487 1.00 21.31 C ATOM 219 CG LYS A 17 -2.220 -5.100 2.170 1.00 51.54 C ATOM 220 CD LYS A 17 -3.671 -5.383 2.563 1.00 32.35 C ATOM 221 CE LYS A 17 -3.743 -6.449 3.659 1.00 20.32 C ATOM 222 NZ LYS A 17 -4.631 -7.558 3.247 1.00 1.22 N ATOM 0 H LYS A 17 -3.363 -1.522 1.883 1.00 52.14 H new ATOM 0 HA LYS A 17 -1.457 -3.180 3.415 1.00 12.41 H new ATOM 0 HB2 LYS A 17 -3.039 -3.475 1.011 1.00 21.31 H new ATOM 0 HB3 LYS A 17 -1.343 -3.788 0.698 1.00 21.31 H new ATOM 0 HG2 LYS A 17 -1.862 -5.881 1.499 1.00 51.54 H new ATOM 0 HG3 LYS A 17 -1.587 -5.127 3.057 1.00 51.54 H new ATOM 0 HD2 LYS A 17 -4.143 -4.465 2.912 1.00 32.35 H new ATOM 0 HD3 LYS A 17 -4.230 -5.716 1.689 1.00 32.35 H new ATOM 0 HE2 LYS A 17 -2.744 -6.833 3.867 1.00 20.32 H new ATOM 0 HE3 LYS A 17 -4.112 -6.004 4.583 1.00 20.32 H new ATOM 0 HZ1 LYS A 17 -4.668 -8.272 4.002 1.00 1.22 H new ATOM 0 HZ2 LYS A 17 -5.588 -7.190 3.071 1.00 1.22 H new ATOM 0 HZ3 LYS A 17 -4.262 -7.993 2.377 1.00 1.22 H new HETATM 235 C1 ACA A 18 1.454 3.578 -4.326 1.00 43.31 C HETATM 236 O1 ACA A 18 0.549 4.401 -4.456 1.00 51.30 O HETATM 237 C2 ACA A 18 1.394 3.291 -2.875 1.00 74.22 C HETATM 238 C3 ACA A 18 1.004 1.833 -2.632 1.00 21.25 C HETATM 239 C4 ACA A 18 1.138 1.468 -1.153 1.00 74.31 C HETATM 240 C5 ACA A 18 0.044 0.487 -0.727 1.00 50.20 C HETATM 241 C6 ACA A 18 0.523 -0.405 0.420 1.00 20.11 C HETATM 242 N6 ACA A 18 -0.574 -1.209 0.932 1.00 60.01 N HETATM 0 HN61 ACA A 18 -1.504 -1.124 0.521 1.00 60.01 H new HETATM 0 H62 ACA A 18 1.326 -1.055 0.072 1.00 20.11 H new HETATM 0 H61 ACA A 18 0.935 0.211 1.220 1.00 20.11 H new HETATM 0 H52 ACA A 18 -0.843 1.039 -0.417 1.00 50.20 H new HETATM 0 H51 ACA A 18 -0.246 -0.131 -1.577 1.00 50.20 H new HETATM 0 H42 ACA A 18 2.118 1.026 -0.972 1.00 74.31 H new HETATM 0 H41 ACA A 18 1.078 2.371 -0.545 1.00 74.31 H new HETATM 0 H32 ACA A 18 -0.023 1.668 -2.959 1.00 21.25 H new HETATM 0 H31 ACA A 18 1.638 1.179 -3.230 1.00 21.25 H new HETATM 0 H22 ACA A 18 2.362 3.495 -2.418 1.00 74.22 H new HETATM 0 H21 ACA A 18 0.670 3.951 -2.398 1.00 74.22 H new ATOM 254 N LYS A 19 2.697 3.756 -4.747 1.00 52.14 N ATOM 255 CA LYS A 19 3.092 4.984 -5.415 1.00 3.20 C ATOM 256 C LYS A 19 2.999 4.788 -6.930 1.00 4.25 C ATOM 257 O LYS A 19 2.111 5.339 -7.578 1.00 62.04 O ATOM 258 CB LYS A 19 4.474 5.435 -4.938 1.00 72.41 C ATOM 259 CG LYS A 19 4.758 6.877 -5.364 1.00 3.34 C ATOM 260 CD LYS A 19 5.981 6.945 -6.282 1.00 22.21 C ATOM 261 CE LYS A 19 7.258 6.586 -5.522 1.00 32.44 C ATOM 262 NZ LYS A 19 8.330 7.563 -5.816 1.00 4.43 N ATOM 0 HA LYS A 19 2.411 5.794 -5.154 1.00 3.20 H new ATOM 0 HB2 LYS A 19 4.532 5.355 -3.853 1.00 72.41 H new ATOM 0 HB3 LYS A 19 5.238 4.774 -5.348 1.00 72.41 H new ATOM 0 HG2 LYS A 19 3.889 7.286 -5.879 1.00 3.34 H new ATOM 0 HG3 LYS A 19 4.926 7.495 -4.482 1.00 3.34 H new ATOM 0 HD2 LYS A 19 5.849 6.262 -7.121 1.00 22.21 H new ATOM 0 HD3 LYS A 19 6.072 7.948 -6.699 1.00 22.21 H new ATOM 0 HE2 LYS A 19 7.058 6.569 -4.451 1.00 32.44 H new ATOM 0 HE3 LYS A 19 7.585 5.584 -5.801 1.00 32.44 H new ATOM 0 HZ1 LYS A 19 9.190 7.303 -5.291 1.00 4.43 H new ATOM 0 HZ2 LYS A 19 8.533 7.560 -6.836 1.00 4.43 H new ATOM 0 HZ3 LYS A 19 8.022 8.514 -5.527 1.00 4.43 H new ATOM 275 N ASN A 20 3.928 3.998 -7.451 1.00 74.34 N ATOM 276 CA ASN A 20 3.962 3.722 -8.876 1.00 71.13 C ATOM 277 C ASN A 20 3.448 2.303 -9.129 1.00 63.35 C ATOM 278 O ASN A 20 3.537 1.442 -8.255 1.00 54.23 O ATOM 279 CB ASN A 20 5.389 3.811 -9.420 1.00 52.53 C ATOM 280 CG ASN A 20 5.853 5.266 -9.507 1.00 43.43 C ATOM 281 OD1 ASN A 20 5.097 6.200 -9.297 1.00 71.02 O ATOM 282 ND2 ASN A 20 7.137 5.406 -9.828 1.00 63.51 N ATOM 0 H ASN A 20 4.662 3.541 -6.910 1.00 74.34 H new ATOM 0 HA ASN A 20 3.338 4.461 -9.377 1.00 71.13 H new ATOM 0 HB2 ASN A 20 6.064 3.248 -8.775 1.00 52.53 H new ATOM 0 HB3 ASN A 20 5.435 3.351 -10.407 1.00 52.53 H new ATOM 0 HD21 ASN A 20 7.543 6.338 -9.911 1.00 63.51 H new ATOM 0 HD22 ASN A 20 7.715 4.581 -9.991 1.00 63.51 H new ATOM 289 N GLU A 21 2.919 2.104 -10.327 1.00 70.44 N ATOM 290 CA GLU A 21 2.389 0.806 -10.705 1.00 3.43 C ATOM 291 C GLU A 21 3.481 -0.262 -10.607 1.00 20.33 C ATOM 292 O GLU A 21 3.227 -1.375 -10.149 1.00 23.42 O ATOM 293 CB GLU A 21 1.789 0.847 -12.112 1.00 31.53 C ATOM 294 CG GLU A 21 2.887 0.888 -13.177 1.00 30.44 C ATOM 295 CD GLU A 21 2.287 0.999 -14.579 1.00 0.24 C ATOM 296 OE1 GLU A 21 2.501 2.009 -15.267 1.00 1.45 O ATOM 297 OE2 GLU A 21 1.576 -0.011 -14.950 1.00 22.45 O ATOM 0 H GLU A 21 2.846 2.821 -11.049 1.00 70.44 H new ATOM 0 HA GLU A 21 1.589 0.546 -10.011 1.00 3.43 H new ATOM 0 HB2 GLU A 21 1.159 -0.029 -12.268 1.00 31.53 H new ATOM 0 HB3 GLU A 21 1.148 1.723 -12.212 1.00 31.53 H new ATOM 0 HG2 GLU A 21 3.547 1.736 -12.992 1.00 30.44 H new ATOM 0 HG3 GLU A 21 3.498 -0.012 -13.109 1.00 30.44 H new ATOM 305 N GLN A 22 4.674 0.115 -11.043 1.00 31.44 N ATOM 306 CA GLN A 22 5.805 -0.796 -11.009 1.00 52.12 C ATOM 307 C GLN A 22 5.801 -1.599 -9.708 1.00 34.24 C ATOM 308 O GLN A 22 5.915 -2.824 -9.730 1.00 75.21 O ATOM 309 CB GLN A 22 7.123 -0.039 -11.182 1.00 52.00 C ATOM 310 CG GLN A 22 7.455 0.153 -12.663 1.00 53.12 C ATOM 311 CD GLN A 22 7.976 -1.146 -13.282 1.00 63.13 C ATOM 312 OE1 GLN A 22 8.389 -2.067 -12.597 1.00 4.01 O ATOM 313 NE2 GLN A 22 7.934 -1.166 -14.611 1.00 74.23 N ATOM 0 H GLN A 22 4.882 1.039 -11.422 1.00 31.44 H new ATOM 0 HA GLN A 22 5.711 -1.492 -11.842 1.00 52.12 H new ATOM 0 HB2 GLN A 22 7.056 0.932 -10.692 1.00 52.00 H new ATOM 0 HB3 GLN A 22 7.928 -0.587 -10.693 1.00 52.00 H new ATOM 0 HG2 GLN A 22 6.565 0.484 -13.199 1.00 53.12 H new ATOM 0 HG3 GLN A 22 8.203 0.938 -12.773 1.00 53.12 H new ATOM 0 HE21 GLN A 22 7.576 -0.359 -15.122 1.00 74.23 H new ATOM 0 HE22 GLN A 22 8.260 -1.988 -15.119 1.00 74.23 H new ATOM 322 N GLU A 23 5.668 -0.878 -8.604 1.00 71.10 N ATOM 323 CA GLU A 23 5.647 -1.509 -7.295 1.00 31.10 C ATOM 324 C GLU A 23 4.439 -2.439 -7.174 1.00 62.50 C ATOM 325 O GLU A 23 4.567 -3.573 -6.713 1.00 50.44 O ATOM 326 CB GLU A 23 5.647 -0.460 -6.182 1.00 21.53 C ATOM 327 CG GLU A 23 6.356 -0.987 -4.932 1.00 44.23 C ATOM 328 CD GLU A 23 7.731 -0.336 -4.768 1.00 41.25 C ATOM 329 OE1 GLU A 23 8.030 0.222 -3.702 1.00 32.32 O ATOM 330 OE2 GLU A 23 8.503 -0.424 -5.798 1.00 33.43 O ATOM 0 H GLU A 23 5.574 0.138 -8.589 1.00 71.10 H new ATOM 0 HA GLU A 23 6.552 -2.106 -7.185 1.00 31.10 H new ATOM 0 HB2 GLU A 23 6.143 0.446 -6.531 1.00 21.53 H new ATOM 0 HB3 GLU A 23 4.621 -0.187 -5.935 1.00 21.53 H new ATOM 0 HG2 GLU A 23 5.746 -0.785 -4.051 1.00 44.23 H new ATOM 0 HG3 GLU A 23 6.468 -2.069 -5.001 1.00 44.23 H new ATOM 338 N LEU A 24 3.292 -1.926 -7.594 1.00 41.45 N ATOM 339 CA LEU A 24 2.062 -2.697 -7.538 1.00 70.25 C ATOM 340 C LEU A 24 2.309 -4.087 -8.125 1.00 42.54 C ATOM 341 O LEU A 24 1.907 -5.092 -7.541 1.00 2.53 O ATOM 342 CB LEU A 24 0.921 -1.935 -8.218 1.00 11.20 C ATOM 343 CG LEU A 24 -0.461 -2.086 -7.578 1.00 54.22 C ATOM 344 CD1 LEU A 24 -0.783 -3.558 -7.310 1.00 60.23 C ATOM 345 CD2 LEU A 24 -0.574 -1.234 -6.312 1.00 31.20 C ATOM 0 H LEU A 24 3.189 -0.985 -7.975 1.00 41.45 H new ATOM 0 HA LEU A 24 1.748 -2.839 -6.504 1.00 70.25 H new ATOM 0 HB2 LEU A 24 1.178 -0.876 -8.236 1.00 11.20 H new ATOM 0 HB3 LEU A 24 0.857 -2.265 -9.255 1.00 11.20 H new ATOM 0 HG LEU A 24 -1.207 -1.717 -8.282 1.00 54.22 H new ATOM 0 HD11 LEU A 24 -1.770 -3.637 -6.855 1.00 60.23 H new ATOM 0 HD12 LEU A 24 -0.771 -4.110 -8.250 1.00 60.23 H new ATOM 0 HD13 LEU A 24 -0.037 -3.976 -6.634 1.00 60.23 H new ATOM 0 HD21 LEU A 24 -1.565 -1.359 -5.877 1.00 31.20 H new ATOM 0 HD22 LEU A 24 0.181 -1.550 -5.592 1.00 31.20 H new ATOM 0 HD23 LEU A 24 -0.418 -0.185 -6.564 1.00 31.20 H new ATOM 357 N LEU A 25 2.969 -4.100 -9.274 1.00 10.03 N ATOM 358 CA LEU A 25 3.275 -5.352 -9.947 1.00 54.31 C ATOM 359 C LEU A 25 4.240 -6.167 -9.085 1.00 55.53 C ATOM 360 O LEU A 25 4.229 -7.397 -9.128 1.00 54.55 O ATOM 361 CB LEU A 25 3.789 -5.086 -11.364 1.00 32.03 C ATOM 362 CG LEU A 25 2.813 -4.389 -12.313 1.00 31.13 C ATOM 363 CD1 LEU A 25 1.364 -4.656 -11.900 1.00 3.41 C ATOM 364 CD2 LEU A 25 3.115 -2.892 -12.407 1.00 4.13 C ATOM 0 H LEU A 25 3.300 -3.264 -9.756 1.00 10.03 H new ATOM 0 HA LEU A 25 2.372 -5.951 -10.067 1.00 54.31 H new ATOM 0 HB2 LEU A 25 4.692 -4.479 -11.293 1.00 32.03 H new ATOM 0 HB3 LEU A 25 4.079 -6.038 -11.808 1.00 32.03 H new ATOM 0 HG LEU A 25 2.947 -4.808 -13.310 1.00 31.13 H new ATOM 0 HD11 LEU A 25 0.690 -4.150 -12.591 1.00 3.41 H new ATOM 0 HD12 LEU A 25 1.170 -5.728 -11.925 1.00 3.41 H new ATOM 0 HD13 LEU A 25 1.198 -4.281 -10.890 1.00 3.41 H new ATOM 0 HD21 LEU A 25 2.407 -2.420 -13.088 1.00 4.13 H new ATOM 0 HD22 LEU A 25 3.025 -2.440 -11.419 1.00 4.13 H new ATOM 0 HD23 LEU A 25 4.129 -2.748 -12.781 1.00 4.13 H new ATOM 376 N GLU A 26 5.053 -5.450 -8.322 1.00 25.53 N ATOM 377 CA GLU A 26 6.022 -6.092 -7.451 1.00 75.31 C ATOM 378 C GLU A 26 5.320 -7.065 -6.502 1.00 32.34 C ATOM 379 O GLU A 26 5.829 -8.154 -6.236 1.00 22.11 O ATOM 380 CB GLU A 26 6.831 -5.053 -6.671 1.00 63.32 C ATOM 381 CG GLU A 26 8.186 -5.619 -6.245 1.00 1.32 C ATOM 382 CD GLU A 26 8.580 -5.114 -4.856 1.00 50.14 C ATOM 383 OE1 GLU A 26 7.829 -4.342 -4.240 1.00 3.30 O ATOM 384 OE2 GLU A 26 9.712 -5.550 -4.417 1.00 1.04 O ATOM 0 H GLU A 26 5.060 -4.431 -8.289 1.00 25.53 H new ATOM 0 HA GLU A 26 6.719 -6.657 -8.070 1.00 75.31 H new ATOM 0 HB2 GLU A 26 6.981 -4.167 -7.287 1.00 63.32 H new ATOM 0 HB3 GLU A 26 6.272 -4.738 -5.790 1.00 63.32 H new ATOM 0 HG2 GLU A 26 8.144 -6.708 -6.241 1.00 1.32 H new ATOM 0 HG3 GLU A 26 8.948 -5.332 -6.970 1.00 1.32 H new ATOM 392 N LEU A 27 4.163 -6.639 -6.016 1.00 54.53 N ATOM 393 CA LEU A 27 3.387 -7.459 -5.103 1.00 34.44 C ATOM 394 C LEU A 27 2.737 -8.605 -5.881 1.00 20.55 C ATOM 395 O LEU A 27 2.475 -9.669 -5.322 1.00 21.24 O ATOM 396 CB LEU A 27 2.389 -6.600 -4.326 1.00 72.34 C ATOM 397 CG LEU A 27 2.993 -5.588 -3.348 1.00 44.41 C ATOM 398 CD1 LEU A 27 2.809 -6.046 -1.901 1.00 1.02 C ATOM 399 CD2 LEU A 27 4.461 -5.314 -3.682 1.00 13.00 C ATOM 0 H LEU A 27 3.745 -5.736 -6.238 1.00 54.53 H new ATOM 0 HA LEU A 27 4.036 -7.910 -4.352 1.00 34.44 H new ATOM 0 HB2 LEU A 27 1.771 -6.059 -5.042 1.00 72.34 H new ATOM 0 HB3 LEU A 27 1.726 -7.262 -3.769 1.00 72.34 H new ATOM 0 HG LEU A 27 2.457 -4.645 -3.456 1.00 44.41 H new ATOM 0 HD11 LEU A 27 3.247 -5.309 -1.228 1.00 1.02 H new ATOM 0 HD12 LEU A 27 1.746 -6.149 -1.684 1.00 1.02 H new ATOM 0 HD13 LEU A 27 3.303 -7.007 -1.758 1.00 1.02 H new ATOM 0 HD21 LEU A 27 4.867 -4.592 -2.973 1.00 13.00 H new ATOM 0 HD22 LEU A 27 5.028 -6.243 -3.619 1.00 13.00 H new ATOM 0 HD23 LEU A 27 4.535 -4.911 -4.692 1.00 13.00 H new ATOM 411 N ASP A 28 2.494 -8.348 -7.156 1.00 5.42 N ATOM 412 CA ASP A 28 1.879 -9.345 -8.017 1.00 44.10 C ATOM 413 C ASP A 28 2.800 -10.562 -8.120 1.00 43.10 C ATOM 414 O ASP A 28 2.353 -11.656 -8.460 1.00 44.32 O ATOM 415 CB ASP A 28 1.662 -8.796 -9.429 1.00 34.20 C ATOM 416 CG ASP A 28 0.311 -9.144 -10.058 1.00 72.22 C ATOM 417 OD1 ASP A 28 -0.599 -9.643 -9.380 1.00 11.21 O ATOM 418 OD2 ASP A 28 0.211 -8.880 -11.316 1.00 73.25 O ATOM 0 H ASP A 28 2.711 -7.464 -7.615 1.00 5.42 H new ATOM 0 HA ASP A 28 0.916 -9.616 -7.584 1.00 44.10 H new ATOM 0 HB2 ASP A 28 1.764 -7.711 -9.400 1.00 34.20 H new ATOM 0 HB3 ASP A 28 2.455 -9.173 -10.075 1.00 34.20 H new ATOM 424 N LYS A 29 4.070 -10.331 -7.819 1.00 60.43 N ATOM 425 CA LYS A 29 5.058 -11.395 -7.872 1.00 5.14 C ATOM 426 C LYS A 29 4.929 -12.268 -6.622 1.00 55.23 C ATOM 427 O LYS A 29 5.663 -13.242 -6.464 1.00 41.01 O ATOM 428 CB LYS A 29 6.458 -10.816 -8.077 1.00 41.42 C ATOM 429 CG LYS A 29 6.818 -10.763 -9.565 1.00 74.40 C ATOM 430 CD LYS A 29 5.810 -9.915 -10.342 1.00 62.22 C ATOM 431 CE LYS A 29 6.362 -9.529 -11.716 1.00 41.31 C ATOM 432 NZ LYS A 29 6.707 -10.740 -12.495 1.00 21.33 N ATOM 0 H LYS A 29 4.437 -9.422 -7.537 1.00 60.43 H new ATOM 0 HA LYS A 29 4.877 -12.041 -8.731 1.00 5.14 H new ATOM 0 HB2 LYS A 29 6.507 -9.814 -7.652 1.00 41.42 H new ATOM 0 HB3 LYS A 29 7.189 -11.424 -7.544 1.00 41.42 H new ATOM 0 HG2 LYS A 29 7.818 -10.348 -9.686 1.00 74.40 H new ATOM 0 HG3 LYS A 29 6.841 -11.773 -9.974 1.00 74.40 H new ATOM 0 HD2 LYS A 29 4.879 -10.470 -10.463 1.00 62.22 H new ATOM 0 HD3 LYS A 29 5.573 -9.015 -9.775 1.00 62.22 H new ATOM 0 HE2 LYS A 29 5.624 -8.939 -12.258 1.00 41.31 H new ATOM 0 HE3 LYS A 29 7.246 -8.902 -11.596 1.00 41.31 H new ATOM 0 HZ1 LYS A 29 6.852 -10.482 -13.492 1.00 21.33 H new ATOM 0 HZ2 LYS A 29 7.580 -11.160 -12.116 1.00 21.33 H new ATOM 0 HZ3 LYS A 29 5.932 -11.430 -12.425 1.00 21.33 H new ATOM 445 N TRP A 30 3.993 -11.886 -5.766 1.00 11.10 N ATOM 446 CA TRP A 30 3.760 -12.621 -4.534 1.00 45.43 C ATOM 447 C TRP A 30 3.840 -14.115 -4.854 1.00 13.01 C ATOM 448 O TRP A 30 4.543 -14.863 -4.175 1.00 74.55 O ATOM 449 CB TRP A 30 2.429 -12.216 -3.898 1.00 11.41 C ATOM 450 CG TRP A 30 2.537 -11.041 -2.925 1.00 1.13 C ATOM 451 CD1 TRP A 30 1.793 -9.926 -2.892 1.00 32.02 C ATOM 452 CD2 TRP A 30 3.477 -10.908 -1.838 1.00 24.40 C ATOM 453 NE1 TRP A 30 2.184 -9.089 -1.867 1.00 50.15 N ATOM 454 CE2 TRP A 30 3.240 -9.705 -1.206 1.00 64.13 C ATOM 455 CE3 TRP A 30 4.494 -11.777 -1.402 1.00 62.14 C ATOM 456 CZ2 TRP A 30 3.979 -9.259 -0.103 1.00 43.23 C ATOM 457 CZ3 TRP A 30 5.222 -11.317 -0.300 1.00 73.21 C ATOM 458 CH2 TRP A 30 4.996 -10.108 0.348 1.00 1.41 C ATOM 0 H TRP A 30 3.387 -11.077 -5.901 1.00 11.10 H new ATOM 0 HA TRP A 30 4.521 -12.382 -3.792 1.00 45.43 H new ATOM 0 HB2 TRP A 30 1.724 -11.957 -4.688 1.00 11.41 H new ATOM 0 HB3 TRP A 30 2.014 -13.075 -3.370 1.00 11.41 H new ATOM 0 HD1 TRP A 30 0.989 -9.710 -3.581 1.00 32.02 H new ATOM 0 HE1 TRP A 30 1.773 -8.184 -1.637 1.00 50.15 H new ATOM 0 HE3 TRP A 30 4.696 -12.724 -1.880 1.00 62.14 H new ATOM 0 HZ2 TRP A 30 3.775 -8.312 0.374 1.00 43.23 H new ATOM 0 HZ3 TRP A 30 6.016 -11.946 0.074 1.00 73.21 H new ATOM 0 HH2 TRP A 30 5.603 -9.825 1.196 1.00 1.41 H new ATOM 469 N ALA A 31 3.110 -14.507 -5.888 1.00 12.52 N ATOM 470 CA ALA A 31 3.091 -15.899 -6.306 1.00 71.04 C ATOM 471 C ALA A 31 4.416 -16.241 -6.990 1.00 74.52 C ATOM 472 O ALA A 31 5.014 -17.278 -6.708 1.00 45.52 O ATOM 473 CB ALA A 31 1.885 -16.141 -7.216 1.00 42.44 C ATOM 0 H ALA A 31 2.527 -13.885 -6.449 1.00 12.52 H new ATOM 0 HA ALA A 31 2.987 -16.557 -5.444 1.00 71.04 H new ATOM 0 HB1 ALA A 31 1.870 -17.185 -7.530 1.00 42.44 H new ATOM 0 HB2 ALA A 31 0.968 -15.912 -6.673 1.00 42.44 H new ATOM 0 HB3 ALA A 31 1.957 -15.499 -8.094 1.00 42.44 H new ATOM 479 N SER A 32 4.835 -15.349 -7.875 1.00 53.11 N ATOM 480 CA SER A 32 6.080 -15.543 -8.601 1.00 24.21 C ATOM 481 C SER A 32 7.141 -16.136 -7.672 1.00 41.23 C ATOM 482 O SER A 32 8.030 -16.856 -8.121 1.00 33.04 O ATOM 483 CB SER A 32 6.577 -14.228 -9.205 1.00 64.43 C ATOM 484 OG SER A 32 7.995 -14.204 -9.339 1.00 32.10 O ATOM 0 H SER A 32 4.335 -14.490 -8.106 1.00 53.11 H new ATOM 0 HA SER A 32 5.894 -16.239 -9.419 1.00 24.21 H new ATOM 0 HB2 SER A 32 6.118 -14.082 -10.183 1.00 64.43 H new ATOM 0 HB3 SER A 32 6.258 -13.397 -8.576 1.00 64.43 H new ATOM 0 HG SER A 32 8.260 -13.425 -9.871 1.00 32.10 H new ATOM 490 N LEU A 33 7.011 -15.809 -6.395 1.00 14.21 N ATOM 491 CA LEU A 33 7.948 -16.301 -5.399 1.00 75.24 C ATOM 492 C LEU A 33 7.787 -17.815 -5.255 1.00 44.23 C ATOM 493 O LEU A 33 8.723 -18.570 -5.511 1.00 43.45 O ATOM 494 CB LEU A 33 7.782 -15.537 -4.084 1.00 35.52 C ATOM 495 CG LEU A 33 8.617 -16.040 -2.905 1.00 30.53 C ATOM 496 CD1 LEU A 33 10.033 -16.406 -3.352 1.00 25.20 C ATOM 497 CD2 LEU A 33 8.621 -15.023 -1.762 1.00 15.23 C ATOM 0 H LEU A 33 6.272 -15.210 -6.027 1.00 14.21 H new ATOM 0 HA LEU A 33 8.974 -16.119 -5.720 1.00 75.24 H new ATOM 0 HB2 LEU A 33 8.032 -14.491 -4.261 1.00 35.52 H new ATOM 0 HB3 LEU A 33 6.731 -15.569 -3.799 1.00 35.52 H new ATOM 0 HG LEU A 33 8.155 -16.951 -2.524 1.00 30.53 H new ATOM 0 HD11 LEU A 33 10.605 -16.760 -2.495 1.00 25.20 H new ATOM 0 HD12 LEU A 33 9.985 -17.192 -4.106 1.00 25.20 H new ATOM 0 HD13 LEU A 33 10.520 -15.527 -3.775 1.00 25.20 H new ATOM 0 HD21 LEU A 33 9.222 -15.405 -0.937 1.00 15.23 H new ATOM 0 HD22 LEU A 33 9.045 -14.082 -2.114 1.00 15.23 H new ATOM 0 HD23 LEU A 33 7.600 -14.856 -1.420 1.00 15.23 H new ATOM 509 N TRP A 34 6.592 -18.214 -4.846 1.00 21.02 N ATOM 510 CA TRP A 34 6.295 -19.625 -4.666 1.00 22.24 C ATOM 511 C TRP A 34 5.258 -20.028 -5.715 1.00 4.11 C ATOM 512 O TRP A 34 5.498 -20.933 -6.514 1.00 63.41 O ATOM 513 CB TRP A 34 5.838 -19.910 -3.234 1.00 12.32 C ATOM 514 CG TRP A 34 4.492 -19.278 -2.872 1.00 3.54 C ATOM 515 CD1 TRP A 34 4.267 -18.092 -2.292 1.00 73.31 C ATOM 516 CD2 TRP A 34 3.186 -19.852 -3.094 1.00 72.43 C ATOM 517 NE1 TRP A 34 2.917 -17.859 -2.123 1.00 24.05 N ATOM 518 CE2 TRP A 34 2.239 -18.964 -2.626 1.00 20.44 C ATOM 519 CE3 TRP A 34 2.817 -21.080 -3.669 1.00 0.42 C ATOM 520 CZ2 TRP A 34 0.862 -19.209 -2.686 1.00 13.15 C ATOM 521 CZ3 TRP A 34 1.437 -21.311 -3.723 1.00 15.23 C ATOM 522 CH2 TRP A 34 0.472 -20.427 -3.256 1.00 4.01 C ATOM 0 H TRP A 34 5.818 -17.585 -4.634 1.00 21.02 H new ATOM 0 HA TRP A 34 7.190 -20.229 -4.812 1.00 22.24 H new ATOM 0 HB2 TRP A 34 5.771 -20.989 -3.093 1.00 12.32 H new ATOM 0 HB3 TRP A 34 6.597 -19.545 -2.542 1.00 12.32 H new ATOM 0 HD1 TRP A 34 5.044 -17.404 -1.994 1.00 73.31 H new ATOM 0 HE1 TRP A 34 2.495 -17.029 -1.706 1.00 24.05 H new ATOM 0 HE3 TRP A 34 3.541 -21.790 -4.040 1.00 0.42 H new ATOM 0 HZ2 TRP A 34 0.140 -18.498 -2.313 1.00 13.15 H new ATOM 0 HZ3 TRP A 34 1.099 -22.240 -4.158 1.00 15.23 H new ATOM 0 HH2 TRP A 34 -0.576 -20.679 -3.332 1.00 4.01 H new ATOM 533 N ASN A 35 4.128 -19.338 -5.680 1.00 44.03 N ATOM 534 CA ASN A 35 3.053 -19.613 -6.620 1.00 33.21 C ATOM 535 C ASN A 35 2.865 -21.126 -6.743 1.00 3.10 C ATOM 536 O ASN A 35 1.751 -21.600 -6.960 1.00 30.15 O ATOM 537 CB ASN A 35 3.382 -19.062 -8.009 1.00 31.34 C ATOM 538 CG ASN A 35 2.578 -19.788 -9.090 1.00 43.32 C ATOM 539 OD1 ASN A 35 2.767 -20.962 -9.357 1.00 11.42 O ATOM 540 ND2 ASN A 35 1.672 -19.024 -9.694 1.00 40.12 N ATOM 0 H ASN A 35 3.933 -18.589 -5.016 1.00 44.03 H new ATOM 0 HA ASN A 35 2.148 -19.134 -6.248 1.00 33.21 H new ATOM 0 HB2 ASN A 35 3.163 -17.995 -8.042 1.00 31.34 H new ATOM 0 HB3 ASN A 35 4.448 -19.175 -8.206 1.00 31.34 H new ATOM 0 HD21 ASN A 35 1.084 -19.415 -10.430 1.00 40.12 H new ATOM 0 HD22 ASN A 35 1.565 -18.047 -9.421 1.00 40.12 H new TER 547 ASN A 35