USER MOD reduce.3.24.130724 H: found=0, std=0, add=263, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 263 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 24 LYS NZ :NH3+ 156:sc= 2.23 (180deg=0.0207) USER MOD Set 1.2: A 34 THR OG1 : rot -109:sc= 0.794 USER MOD Set 2.1: A 25 THR OG1 : rot 127:sc= -1.02 USER MOD Set 2.2: A 31 THR OG1 : rot 180:sc= 0.591 USER MOD Set 3.1: A 27 GLN : amide:sc= 0.535 K(o=0.92,f=0.36) USER MOD Set 3.2: A 28 TYR OH : rot 180:sc= 0.387 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0.0356 USER MOD Single : A 9 ASN : amide:sc= -0.358 K(o=-0.36,f=-4.4!) USER MOD Single : A 10 SER OG : rot 30:sc= 0.325 USER MOD Single : A 16 THR OG1 : rot 12:sc= 0.647 USER MOD Single : A 18 CYS SG : rot 180:sc= -0.0668 USER MOD Single : A 19 GLN :FLIP amide:sc= 1.13 F(o=0,f=1.1) USER MOD Single : A 22 LYS NZ :NH3+ 148:sc= 0 (180deg=-0.0129) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -1.63! C(o=-1.6!,f=-4.7!) USER MOD ----------------------------------------------------------------- ATOM 44 N GLU A 4 27.558 29.496 26.561 1.00 0.00 N ATOM 45 CA GLU A 4 26.764 29.640 25.334 1.00 0.00 C ATOM 46 C GLU A 4 26.411 28.287 24.662 1.00 0.00 C ATOM 47 O GLU A 4 27.170 27.313 24.763 1.00 0.00 O ATOM 48 CB GLU A 4 27.499 30.582 24.352 1.00 0.00 C ATOM 49 CG GLU A 4 27.611 32.020 24.906 1.00 0.00 C ATOM 50 CD GLU A 4 28.212 33.033 23.914 1.00 0.00 C ATOM 51 OE1 GLU A 4 27.899 32.952 22.702 1.00 0.00 O ATOM 52 OE2 GLU A 4 28.954 33.937 24.365 1.00 0.00 O ATOM 0 HA GLU A 4 25.807 30.078 25.616 1.00 0.00 H new ATOM 0 HB2 GLU A 4 28.497 30.191 24.153 1.00 0.00 H new ATOM 0 HB3 GLU A 4 26.968 30.600 23.400 1.00 0.00 H new ATOM 0 HG2 GLU A 4 26.619 32.362 25.201 1.00 0.00 H new ATOM 0 HG3 GLU A 4 28.224 32.004 25.807 1.00 0.00 H new ATOM 59 N PRO A 5 25.251 28.197 23.977 1.00 0.00 N ATOM 60 CA PRO A 5 24.863 27.014 23.210 1.00 0.00 C ATOM 61 C PRO A 5 25.587 26.963 21.854 1.00 0.00 C ATOM 62 O PRO A 5 25.969 27.996 21.302 1.00 0.00 O ATOM 63 CB PRO A 5 23.349 27.150 23.029 1.00 0.00 C ATOM 64 CG PRO A 5 23.152 28.663 22.930 1.00 0.00 C ATOM 65 CD PRO A 5 24.205 29.209 23.897 1.00 0.00 C ATOM 0 HA PRO A 5 25.134 26.089 23.719 1.00 0.00 H new ATOM 0 HB2 PRO A 5 23.002 26.638 22.132 1.00 0.00 H new ATOM 0 HB3 PRO A 5 22.802 26.725 23.871 1.00 0.00 H new ATOM 0 HG2 PRO A 5 23.310 29.025 21.914 1.00 0.00 H new ATOM 0 HG3 PRO A 5 22.144 28.959 23.221 1.00 0.00 H new ATOM 0 HD2 PRO A 5 24.607 30.157 23.539 1.00 0.00 H new ATOM 0 HD3 PRO A 5 23.771 29.398 24.879 1.00 0.00 H new ATOM 73 N CYS A 6 25.726 25.765 21.286 1.00 0.00 N ATOM 74 CA CYS A 6 26.456 25.558 20.024 1.00 0.00 C ATOM 75 C CYS A 6 25.898 24.449 19.108 1.00 0.00 C ATOM 76 O CYS A 6 25.310 23.456 19.552 1.00 0.00 O ATOM 77 CB CYS A 6 27.935 25.308 20.338 1.00 0.00 C ATOM 78 SG CYS A 6 28.297 24.272 21.782 1.00 0.00 S ATOM 0 H CYS A 6 25.338 24.909 21.683 1.00 0.00 H new ATOM 0 HA CYS A 6 26.323 26.473 19.446 1.00 0.00 H new ATOM 0 HB2 CYS A 6 28.395 24.847 19.464 1.00 0.00 H new ATOM 0 HB3 CYS A 6 28.420 26.273 20.481 1.00 0.00 H new ATOM 83 N SER A 7 26.139 24.603 17.802 1.00 0.00 N ATOM 84 CA SER A 7 25.783 23.659 16.734 1.00 0.00 C ATOM 85 C SER A 7 26.871 22.596 16.525 1.00 0.00 C ATOM 86 O SER A 7 26.535 21.422 16.362 1.00 0.00 O ATOM 87 CB SER A 7 25.540 24.407 15.418 1.00 0.00 C ATOM 88 OG SER A 7 24.385 25.230 15.512 1.00 0.00 O ATOM 0 H SER A 7 26.612 25.432 17.441 1.00 0.00 H new ATOM 0 HA SER A 7 24.868 23.153 17.043 1.00 0.00 H new ATOM 0 HB2 SER A 7 26.409 25.019 15.176 1.00 0.00 H new ATOM 0 HB3 SER A 7 25.417 23.692 14.605 1.00 0.00 H new ATOM 0 HG SER A 7 24.248 25.700 14.663 1.00 0.00 H new ATOM 94 N SER A 8 28.154 22.974 16.584 1.00 0.00 N ATOM 95 CA SER A 8 29.320 22.074 16.504 1.00 0.00 C ATOM 96 C SER A 8 30.453 22.493 17.455 1.00 0.00 C ATOM 97 O SER A 8 30.324 23.460 18.195 1.00 0.00 O ATOM 98 CB SER A 8 29.823 22.026 15.060 1.00 0.00 C ATOM 99 OG SER A 8 30.676 20.911 14.874 1.00 0.00 O ATOM 0 H SER A 8 28.423 23.952 16.693 1.00 0.00 H new ATOM 0 HA SER A 8 28.999 21.081 16.820 1.00 0.00 H new ATOM 0 HB2 SER A 8 28.977 21.964 14.375 1.00 0.00 H new ATOM 0 HB3 SER A 8 30.358 22.946 14.823 1.00 0.00 H new ATOM 0 HG SER A 8 30.990 20.890 13.946 1.00 0.00 H new ATOM 105 N ASN A 9 31.572 21.760 17.473 1.00 0.00 N ATOM 106 CA ASN A 9 32.745 22.039 18.327 1.00 0.00 C ATOM 107 C ASN A 9 33.377 23.415 18.058 1.00 0.00 C ATOM 108 O ASN A 9 33.745 24.165 18.963 1.00 0.00 O ATOM 109 CB ASN A 9 33.819 20.934 18.149 1.00 0.00 C ATOM 110 CG ASN A 9 34.086 20.460 16.724 1.00 0.00 C ATOM 111 OD1 ASN A 9 34.329 21.228 15.811 1.00 0.00 O ATOM 112 ND2 ASN A 9 34.091 19.174 16.467 1.00 0.00 N ATOM 0 H ASN A 9 31.696 20.937 16.883 1.00 0.00 H new ATOM 0 HA ASN A 9 32.379 22.047 19.354 1.00 0.00 H new ATOM 0 HB2 ASN A 9 34.757 21.301 18.567 1.00 0.00 H new ATOM 0 HB3 ASN A 9 33.521 20.071 18.744 1.00 0.00 H new ATOM 0 HD21 ASN A 9 34.295 18.843 15.524 1.00 0.00 H new ATOM 0 HD22 ASN A 9 33.891 18.505 17.210 1.00 0.00 H new ATOM 119 N SER A 10 33.489 23.734 16.779 1.00 0.00 N ATOM 120 CA SER A 10 34.145 24.885 16.177 1.00 0.00 C ATOM 121 C SER A 10 33.618 26.240 16.630 1.00 0.00 C ATOM 122 O SER A 10 34.329 27.239 16.618 1.00 0.00 O ATOM 123 CB SER A 10 34.000 24.688 14.674 1.00 0.00 C ATOM 124 OG SER A 10 32.647 24.463 14.263 1.00 0.00 O ATOM 0 H SER A 10 33.081 23.132 16.063 1.00 0.00 H new ATOM 0 HA SER A 10 35.186 24.921 16.499 1.00 0.00 H new ATOM 0 HB2 SER A 10 34.388 25.567 14.160 1.00 0.00 H new ATOM 0 HB3 SER A 10 34.613 23.841 14.364 1.00 0.00 H new ATOM 0 HG SER A 10 32.038 24.929 14.873 1.00 0.00 H new ATOM 130 N ASP A 11 32.380 26.227 17.088 1.00 0.00 N ATOM 131 CA ASP A 11 31.563 27.309 17.605 1.00 0.00 C ATOM 132 C ASP A 11 32.103 27.869 18.940 1.00 0.00 C ATOM 133 O ASP A 11 31.841 29.029 19.266 1.00 0.00 O ATOM 134 CB ASP A 11 30.165 26.700 17.817 1.00 0.00 C ATOM 135 CG ASP A 11 29.500 26.029 16.594 1.00 0.00 C ATOM 136 OD1 ASP A 11 30.197 25.503 15.689 1.00 0.00 O ATOM 137 OD2 ASP A 11 28.250 25.943 16.611 1.00 0.00 O ATOM 0 H ASP A 11 31.861 25.349 17.108 1.00 0.00 H new ATOM 0 HA ASP A 11 31.558 28.148 16.909 1.00 0.00 H new ATOM 0 HB2 ASP A 11 30.235 25.959 18.613 1.00 0.00 H new ATOM 0 HB3 ASP A 11 29.502 27.489 18.173 1.00 0.00 H new ATOM 142 N CYS A 12 32.885 27.064 19.681 1.00 0.00 N ATOM 143 CA CYS A 12 33.420 27.358 21.020 1.00 0.00 C ATOM 144 C CYS A 12 34.934 27.105 21.115 1.00 0.00 C ATOM 145 O CYS A 12 35.577 27.469 22.100 1.00 0.00 O ATOM 146 CB CYS A 12 32.725 26.491 22.075 1.00 0.00 C ATOM 147 SG CYS A 12 30.930 26.637 22.243 1.00 0.00 S ATOM 0 H CYS A 12 33.175 26.146 19.345 1.00 0.00 H new ATOM 0 HA CYS A 12 33.230 28.416 21.201 1.00 0.00 H new ATOM 0 HB2 CYS A 12 32.957 25.449 21.856 1.00 0.00 H new ATOM 0 HB3 CYS A 12 33.171 26.720 23.043 1.00 0.00 H new ATOM 152 N ILE A 13 35.516 26.473 20.095 1.00 0.00 N ATOM 153 CA ILE A 13 36.934 26.234 19.928 1.00 0.00 C ATOM 154 C ILE A 13 37.671 27.578 19.857 1.00 0.00 C ATOM 155 O ILE A 13 37.196 28.544 19.261 1.00 0.00 O ATOM 156 CB ILE A 13 37.076 25.407 18.645 1.00 0.00 C ATOM 157 CG1 ILE A 13 36.991 23.923 19.028 1.00 0.00 C ATOM 158 CG2 ILE A 13 38.356 25.674 17.887 1.00 0.00 C ATOM 159 CD1 ILE A 13 37.075 22.912 17.894 1.00 0.00 C ATOM 0 H ILE A 13 34.969 26.095 19.321 1.00 0.00 H new ATOM 0 HA ILE A 13 37.376 25.689 20.762 1.00 0.00 H new ATOM 0 HB ILE A 13 36.270 25.696 17.971 1.00 0.00 H new ATOM 0 HG12 ILE A 13 37.794 23.709 19.733 1.00 0.00 H new ATOM 0 HG13 ILE A 13 36.051 23.763 19.556 1.00 0.00 H new ATOM 0 HG21 ILE A 13 38.385 25.053 16.992 1.00 0.00 H new ATOM 0 HG22 ILE A 13 38.397 26.725 17.601 1.00 0.00 H new ATOM 0 HG23 ILE A 13 39.210 25.437 18.521 1.00 0.00 H new ATOM 0 HD11 ILE A 13 37.002 21.903 18.300 1.00 0.00 H new ATOM 0 HD12 ILE A 13 36.257 23.081 17.194 1.00 0.00 H new ATOM 0 HD13 ILE A 13 38.026 23.026 17.374 1.00 0.00 H new ATOM 171 N GLY A 14 38.873 27.623 20.422 1.00 0.00 N ATOM 172 CA GLY A 14 39.788 28.769 20.363 1.00 0.00 C ATOM 173 C GLY A 14 39.383 30.002 21.186 1.00 0.00 C ATOM 174 O GLY A 14 40.244 30.595 21.835 1.00 0.00 O ATOM 0 H GLY A 14 39.254 26.839 20.952 1.00 0.00 H new ATOM 0 HA2 GLY A 14 40.771 28.440 20.699 1.00 0.00 H new ATOM 0 HA3 GLY A 14 39.892 29.071 19.321 1.00 0.00 H new ATOM 178 N ILE A 15 38.099 30.382 21.184 1.00 0.00 N ATOM 179 CA ILE A 15 37.541 31.516 21.950 1.00 0.00 C ATOM 180 C ILE A 15 37.691 31.302 23.455 1.00 0.00 C ATOM 181 O ILE A 15 37.789 32.238 24.245 1.00 0.00 O ATOM 182 CB ILE A 15 36.109 31.874 21.482 1.00 0.00 C ATOM 183 CG1 ILE A 15 34.987 30.825 21.650 1.00 0.00 C ATOM 184 CG2 ILE A 15 36.189 32.149 19.977 1.00 0.00 C ATOM 185 CD1 ILE A 15 34.641 30.487 23.097 1.00 0.00 C ATOM 0 H ILE A 15 37.392 29.896 20.632 1.00 0.00 H new ATOM 0 HA ILE A 15 38.132 32.406 21.733 1.00 0.00 H new ATOM 0 HB ILE A 15 35.824 32.703 22.130 1.00 0.00 H new ATOM 0 HG12 ILE A 15 34.089 31.191 21.152 1.00 0.00 H new ATOM 0 HG13 ILE A 15 35.285 29.910 21.139 1.00 0.00 H new ATOM 0 HG21 ILE A 15 35.199 32.407 19.601 1.00 0.00 H new ATOM 0 HG22 ILE A 15 36.873 32.978 19.794 1.00 0.00 H new ATOM 0 HG23 ILE A 15 36.552 31.259 19.463 1.00 0.00 H new ATOM 0 HD11 ILE A 15 33.844 29.743 23.116 1.00 0.00 H new ATOM 0 HD12 ILE A 15 35.523 30.088 23.598 1.00 0.00 H new ATOM 0 HD13 ILE A 15 34.308 31.388 23.612 1.00 0.00 H new ATOM 197 N THR A 16 37.715 30.039 23.860 1.00 0.00 N ATOM 198 CA THR A 16 37.969 29.496 25.175 1.00 0.00 C ATOM 199 C THR A 16 38.389 28.022 24.977 1.00 0.00 C ATOM 200 O THR A 16 38.173 27.434 23.918 1.00 0.00 O ATOM 201 CB THR A 16 36.696 29.654 26.020 1.00 0.00 C ATOM 202 OG1 THR A 16 36.372 31.007 26.244 1.00 0.00 O ATOM 203 CG2 THR A 16 36.900 29.073 27.394 1.00 0.00 C ATOM 0 H THR A 16 37.535 29.290 23.192 1.00 0.00 H new ATOM 0 HA THR A 16 38.767 30.014 25.707 1.00 0.00 H new ATOM 0 HB THR A 16 35.909 29.149 25.461 1.00 0.00 H new ATOM 0 HG1 THR A 16 36.912 31.575 25.655 1.00 0.00 H new ATOM 0 HG21 THR A 16 35.988 29.194 27.979 1.00 0.00 H new ATOM 0 HG22 THR A 16 37.139 28.013 27.309 1.00 0.00 H new ATOM 0 HG23 THR A 16 37.721 29.591 27.890 1.00 0.00 H new ATOM 211 N LEU A 17 38.964 27.380 25.994 1.00 0.00 N ATOM 212 CA LEU A 17 39.374 25.967 26.039 1.00 0.00 C ATOM 213 C LEU A 17 38.206 24.937 25.989 1.00 0.00 C ATOM 214 O LEU A 17 38.427 23.739 26.142 1.00 0.00 O ATOM 215 CB LEU A 17 40.198 25.809 27.335 1.00 0.00 C ATOM 216 CG LEU A 17 41.405 26.752 27.456 1.00 0.00 C ATOM 217 CD1 LEU A 17 41.711 26.872 28.938 1.00 0.00 C ATOM 218 CD2 LEU A 17 42.596 26.174 26.707 1.00 0.00 C ATOM 0 H LEU A 17 39.172 27.861 26.869 1.00 0.00 H new ATOM 0 HA LEU A 17 39.946 25.739 25.140 1.00 0.00 H new ATOM 0 HB2 LEU A 17 39.540 25.974 28.188 1.00 0.00 H new ATOM 0 HB3 LEU A 17 40.552 24.780 27.400 1.00 0.00 H new ATOM 0 HG LEU A 17 41.192 27.729 27.023 1.00 0.00 H new ATOM 0 HD11 LEU A 17 42.565 27.534 29.081 1.00 0.00 H new ATOM 0 HD12 LEU A 17 40.844 27.281 29.457 1.00 0.00 H new ATOM 0 HD13 LEU A 17 41.944 25.887 29.342 1.00 0.00 H new ATOM 0 HD21 LEU A 17 43.446 26.850 26.799 1.00 0.00 H new ATOM 0 HD22 LEU A 17 42.856 25.204 27.130 1.00 0.00 H new ATOM 0 HD23 LEU A 17 42.340 26.054 25.654 1.00 0.00 H new ATOM 230 N CYS A 18 36.967 25.375 25.748 1.00 0.00 N ATOM 231 CA CYS A 18 35.733 24.582 25.784 1.00 0.00 C ATOM 232 C CYS A 18 35.387 24.017 24.389 1.00 0.00 C ATOM 233 O CYS A 18 34.388 24.399 23.782 1.00 0.00 O ATOM 234 CB CYS A 18 34.606 25.477 26.334 1.00 0.00 C ATOM 235 SG CYS A 18 34.905 26.280 27.937 1.00 0.00 S ATOM 0 H CYS A 18 36.787 26.350 25.508 1.00 0.00 H new ATOM 0 HA CYS A 18 35.864 23.719 26.436 1.00 0.00 H new ATOM 0 HB2 CYS A 18 34.400 26.254 25.598 1.00 0.00 H new ATOM 0 HB3 CYS A 18 33.703 24.872 26.420 1.00 0.00 H new ATOM 0 HG CYS A 18 33.871 26.998 28.262 1.00 0.00 H new ATOM 240 N GLN A 19 36.210 23.108 23.863 1.00 0.00 N ATOM 241 CA GLN A 19 36.065 22.596 22.490 1.00 0.00 C ATOM 242 C GLN A 19 34.992 21.519 22.235 1.00 0.00 C ATOM 243 O GLN A 19 34.662 21.289 21.074 1.00 0.00 O ATOM 244 CB GLN A 19 37.429 22.137 21.956 1.00 0.00 C ATOM 245 CG GLN A 19 38.255 21.238 22.879 1.00 0.00 C ATOM 246 CD GLN A 19 39.546 20.761 22.212 1.00 0.00 C ATOM 247 OE1 GLN A 19 40.390 21.648 21.730 1.00 0.00 O flip ATOM 248 NE2 GLN A 19 39.827 19.582 22.103 1.00 0.00 N flip ATOM 0 H GLN A 19 36.996 22.704 24.372 1.00 0.00 H new ATOM 0 HA GLN A 19 35.681 23.453 21.937 1.00 0.00 H new ATOM 0 HB2 GLN A 19 37.267 21.606 21.018 1.00 0.00 H new ATOM 0 HB3 GLN A 19 38.020 23.023 21.723 1.00 0.00 H new ATOM 0 HG2 GLN A 19 38.498 21.782 23.792 1.00 0.00 H new ATOM 0 HG3 GLN A 19 37.658 20.374 23.172 1.00 0.00 H new ATOM 0 HE21 GLN A 19 39.193 18.871 22.467 1.00 0.00 H new ATOM 0 HE22 GLN A 19 40.697 19.305 21.648 1.00 0.00 H new ATOM 257 N PHE A 20 34.418 20.856 23.242 1.00 0.00 N ATOM 258 CA PHE A 20 33.486 19.740 23.005 1.00 0.00 C ATOM 259 C PHE A 20 32.008 20.105 23.177 1.00 0.00 C ATOM 260 O PHE A 20 31.397 19.913 24.227 1.00 0.00 O ATOM 261 CB PHE A 20 33.916 18.530 23.832 1.00 0.00 C ATOM 262 CG PHE A 20 35.181 17.888 23.300 1.00 0.00 C ATOM 263 CD1 PHE A 20 35.128 17.009 22.205 1.00 0.00 C ATOM 264 CD2 PHE A 20 36.426 18.195 23.872 1.00 0.00 C ATOM 265 CE1 PHE A 20 36.316 16.472 21.668 1.00 0.00 C ATOM 266 CE2 PHE A 20 37.607 17.655 23.350 1.00 0.00 C ATOM 267 CZ PHE A 20 37.558 16.799 22.234 1.00 0.00 C ATOM 0 H PHE A 20 34.578 21.068 24.227 1.00 0.00 H new ATOM 0 HA PHE A 20 33.551 19.476 21.949 1.00 0.00 H new ATOM 0 HB2 PHE A 20 34.075 18.837 24.866 1.00 0.00 H new ATOM 0 HB3 PHE A 20 33.113 17.793 23.838 1.00 0.00 H new ATOM 0 HD1 PHE A 20 34.174 16.744 21.773 1.00 0.00 H new ATOM 0 HD2 PHE A 20 36.473 18.856 24.725 1.00 0.00 H new ATOM 0 HE1 PHE A 20 36.270 15.807 20.818 1.00 0.00 H new ATOM 0 HE2 PHE A 20 38.557 17.895 23.804 1.00 0.00 H new ATOM 0 HZ PHE A 20 38.469 16.397 21.816 1.00 0.00 H new ATOM 277 N CYS A 21 31.405 20.642 22.119 1.00 0.00 N ATOM 278 CA CYS A 21 29.975 20.935 22.071 1.00 0.00 C ATOM 279 C CYS A 21 29.135 19.652 22.093 1.00 0.00 C ATOM 280 O CYS A 21 28.851 19.068 21.050 1.00 0.00 O ATOM 281 CB CYS A 21 29.707 21.820 20.868 1.00 0.00 C ATOM 282 SG CYS A 21 30.118 23.516 21.299 1.00 0.00 S ATOM 0 H CYS A 21 31.901 20.888 21.262 1.00 0.00 H new ATOM 0 HA CYS A 21 29.670 21.479 22.965 1.00 0.00 H new ATOM 0 HB2 CYS A 21 30.303 21.491 20.017 1.00 0.00 H new ATOM 0 HB3 CYS A 21 28.661 21.748 20.571 1.00 0.00 H new ATOM 287 N LYS A 22 28.770 19.219 23.307 1.00 0.00 N ATOM 288 CA LYS A 22 28.061 17.967 23.602 1.00 0.00 C ATOM 289 C LYS A 22 26.742 18.261 24.319 1.00 0.00 C ATOM 290 O LYS A 22 26.678 19.136 25.191 1.00 0.00 O ATOM 291 CB LYS A 22 29.049 17.014 24.329 1.00 0.00 C ATOM 292 CG LYS A 22 28.886 16.811 25.838 1.00 0.00 C ATOM 293 CD LYS A 22 28.002 15.629 26.251 1.00 0.00 C ATOM 294 CE LYS A 22 28.702 14.260 26.251 1.00 0.00 C ATOM 295 NZ LYS A 22 28.407 13.441 25.050 1.00 0.00 N ATOM 0 H LYS A 22 28.971 19.758 24.150 1.00 0.00 H new ATOM 0 HA LYS A 22 27.747 17.439 22.701 1.00 0.00 H new ATOM 0 HB2 LYS A 22 28.979 16.036 23.853 1.00 0.00 H new ATOM 0 HB3 LYS A 22 30.059 17.383 24.151 1.00 0.00 H new ATOM 0 HG2 LYS A 22 29.874 16.675 26.278 1.00 0.00 H new ATOM 0 HG3 LYS A 22 28.469 17.722 26.267 1.00 0.00 H new ATOM 0 HD2 LYS A 22 27.611 15.820 27.250 1.00 0.00 H new ATOM 0 HD3 LYS A 22 27.146 15.582 25.577 1.00 0.00 H new ATOM 0 HE2 LYS A 22 29.779 14.412 26.321 1.00 0.00 H new ATOM 0 HE3 LYS A 22 28.400 13.707 27.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 29.232 12.851 24.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 27.587 12.830 25.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 28.195 14.067 24.247 1.00 0.00 H new ATOM 309 N GLU A 23 25.679 17.545 23.964 1.00 0.00 N ATOM 310 CA GLU A 23 24.385 17.642 24.641 1.00 0.00 C ATOM 311 C GLU A 23 24.451 16.897 25.979 1.00 0.00 C ATOM 312 O GLU A 23 24.714 15.699 26.055 1.00 0.00 O ATOM 313 CB GLU A 23 23.221 17.171 23.759 1.00 0.00 C ATOM 314 CG GLU A 23 21.945 17.901 24.065 1.00 0.00 C ATOM 315 CD GLU A 23 20.858 17.342 23.133 1.00 0.00 C ATOM 316 OE1 GLU A 23 20.302 16.255 23.424 1.00 0.00 O ATOM 317 OE2 GLU A 23 20.660 17.913 22.041 1.00 0.00 O ATOM 0 H GLU A 23 25.689 16.876 23.194 1.00 0.00 H new ATOM 0 HA GLU A 23 24.179 18.693 24.842 1.00 0.00 H new ATOM 0 HB2 GLU A 23 23.479 17.319 22.710 1.00 0.00 H new ATOM 0 HB3 GLU A 23 23.069 16.101 23.902 1.00 0.00 H new ATOM 0 HG2 GLU A 23 21.664 17.761 25.109 1.00 0.00 H new ATOM 0 HG3 GLU A 23 22.070 18.973 23.909 1.00 0.00 H new ATOM 324 N LYS A 24 24.269 17.664 27.045 1.00 0.00 N ATOM 325 CA LYS A 24 24.214 17.288 28.457 1.00 0.00 C ATOM 326 C LYS A 24 22.888 17.791 28.983 1.00 0.00 C ATOM 327 O LYS A 24 22.116 18.398 28.250 1.00 0.00 O ATOM 328 CB LYS A 24 25.437 17.890 29.182 1.00 0.00 C ATOM 329 CG LYS A 24 25.370 19.429 29.272 1.00 0.00 C ATOM 330 CD LYS A 24 26.688 20.091 29.687 1.00 0.00 C ATOM 331 CE LYS A 24 27.778 20.054 28.607 1.00 0.00 C ATOM 332 NZ LYS A 24 27.375 20.751 27.360 1.00 0.00 N ATOM 0 H LYS A 24 24.143 18.670 26.934 1.00 0.00 H new ATOM 0 HA LYS A 24 24.266 16.211 28.620 1.00 0.00 H new ATOM 0 HB2 LYS A 24 25.502 17.473 30.187 1.00 0.00 H new ATOM 0 HB3 LYS A 24 26.347 17.599 28.657 1.00 0.00 H new ATOM 0 HG2 LYS A 24 25.066 19.826 28.303 1.00 0.00 H new ATOM 0 HG3 LYS A 24 24.596 19.707 29.987 1.00 0.00 H new ATOM 0 HD2 LYS A 24 26.492 21.129 29.954 1.00 0.00 H new ATOM 0 HD3 LYS A 24 27.063 19.597 30.583 1.00 0.00 H new ATOM 0 HE2 LYS A 24 28.686 20.513 28.998 1.00 0.00 H new ATOM 0 HE3 LYS A 24 28.020 19.016 28.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 28.224 21.055 26.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 26.819 20.104 26.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 26.799 21.583 27.598 1.00 0.00 H new ATOM 346 N THR A 25 22.595 17.518 30.232 1.00 0.00 N ATOM 347 CA THR A 25 21.332 17.939 30.812 1.00 0.00 C ATOM 348 C THR A 25 21.581 18.378 32.228 1.00 0.00 C ATOM 349 O THR A 25 22.577 17.993 32.848 1.00 0.00 O ATOM 350 CB THR A 25 20.304 16.838 30.603 1.00 0.00 C ATOM 351 OG1 THR A 25 18.968 17.163 30.728 1.00 0.00 O ATOM 352 CG2 THR A 25 20.447 15.773 31.625 1.00 0.00 C ATOM 0 H THR A 25 23.208 17.008 30.868 1.00 0.00 H new ATOM 0 HA THR A 25 20.898 18.811 30.323 1.00 0.00 H new ATOM 0 HB THR A 25 20.524 16.566 29.571 1.00 0.00 H new ATOM 0 HG1 THR A 25 18.487 16.884 29.921 1.00 0.00 H new ATOM 0 HG21 THR A 25 19.699 14.999 31.451 1.00 0.00 H new ATOM 0 HG22 THR A 25 21.443 15.336 31.558 1.00 0.00 H new ATOM 0 HG23 THR A 25 20.303 16.200 32.618 1.00 0.00 H new ATOM 360 N ASP A 26 20.719 19.258 32.689 1.00 0.00 N ATOM 361 CA ASP A 26 20.857 19.844 33.996 1.00 0.00 C ATOM 362 C ASP A 26 20.317 18.879 35.060 1.00 0.00 C ATOM 363 O ASP A 26 19.854 17.764 34.805 1.00 0.00 O ATOM 364 CB ASP A 26 20.245 21.259 34.002 1.00 0.00 C ATOM 365 CG ASP A 26 18.731 21.325 34.100 1.00 0.00 C ATOM 366 OD1 ASP A 26 18.076 20.257 34.163 1.00 0.00 O ATOM 367 OD2 ASP A 26 18.234 22.466 34.110 1.00 0.00 O ATOM 0 H ASP A 26 19.906 19.584 32.166 1.00 0.00 H new ATOM 0 HA ASP A 26 21.905 19.991 34.258 1.00 0.00 H new ATOM 0 HB2 ASP A 26 20.669 21.814 34.839 1.00 0.00 H new ATOM 0 HB3 ASP A 26 20.554 21.772 33.091 1.00 0.00 H new ATOM 372 N GLN A 27 20.367 19.338 36.296 1.00 0.00 N ATOM 373 CA GLN A 27 19.923 18.566 37.462 1.00 0.00 C ATOM 374 C GLN A 27 18.391 18.382 37.569 1.00 0.00 C ATOM 375 O GLN A 27 17.907 17.798 38.537 1.00 0.00 O ATOM 376 CB GLN A 27 20.524 19.207 38.716 1.00 0.00 C ATOM 377 CG GLN A 27 19.843 20.541 39.066 1.00 0.00 C ATOM 378 CD GLN A 27 20.696 21.412 39.989 1.00 0.00 C ATOM 379 OE1 GLN A 27 21.687 20.991 40.569 1.00 0.00 O ATOM 380 NE2 GLN A 27 20.356 22.671 40.155 1.00 0.00 N ATOM 0 H GLN A 27 20.719 20.266 36.531 1.00 0.00 H new ATOM 0 HA GLN A 27 20.288 17.545 37.347 1.00 0.00 H new ATOM 0 HB2 GLN A 27 20.427 18.519 39.556 1.00 0.00 H new ATOM 0 HB3 GLN A 27 21.590 19.374 38.562 1.00 0.00 H new ATOM 0 HG2 GLN A 27 19.632 21.089 38.148 1.00 0.00 H new ATOM 0 HG3 GLN A 27 18.884 20.341 39.545 1.00 0.00 H new ATOM 0 HE21 GLN A 27 19.533 23.044 39.681 1.00 0.00 H new ATOM 0 HE22 GLN A 27 20.915 23.275 40.758 1.00 0.00 H new ATOM 389 N TYR A 28 17.626 18.878 36.596 1.00 0.00 N ATOM 390 CA TYR A 28 16.173 18.741 36.448 1.00 0.00 C ATOM 391 C TYR A 28 15.832 17.804 35.276 1.00 0.00 C ATOM 392 O TYR A 28 14.686 17.359 35.141 1.00 0.00 O ATOM 393 CB TYR A 28 15.588 20.144 36.202 1.00 0.00 C ATOM 394 CG TYR A 28 16.006 21.223 37.182 1.00 0.00 C ATOM 395 CD1 TYR A 28 16.057 20.994 38.570 1.00 0.00 C ATOM 396 CD2 TYR A 28 16.456 22.443 36.655 1.00 0.00 C ATOM 397 CE1 TYR A 28 16.612 21.974 39.417 1.00 0.00 C ATOM 398 CE2 TYR A 28 17.017 23.427 37.489 1.00 0.00 C ATOM 399 CZ TYR A 28 17.122 23.176 38.876 1.00 0.00 C ATOM 400 OH TYR A 28 17.759 24.042 39.707 1.00 0.00 O ATOM 0 H TYR A 28 18.032 19.425 35.836 1.00 0.00 H new ATOM 0 HA TYR A 28 15.745 18.306 37.351 1.00 0.00 H new ATOM 0 HB2 TYR A 28 15.872 20.463 35.199 1.00 0.00 H new ATOM 0 HB3 TYR A 28 14.501 20.070 36.217 1.00 0.00 H new ATOM 0 HD1 TYR A 28 15.673 20.073 38.983 1.00 0.00 H new ATOM 0 HD2 TYR A 28 16.370 22.629 35.595 1.00 0.00 H new ATOM 0 HE1 TYR A 28 16.648 21.806 40.483 1.00 0.00 H new ATOM 0 HE2 TYR A 28 17.363 24.362 37.075 1.00 0.00 H new ATOM 0 HH TYR A 28 18.058 24.824 39.198 1.00 0.00 H new ATOM 410 N GLY A 29 16.828 17.477 34.443 1.00 0.00 N ATOM 411 CA GLY A 29 16.683 16.683 33.223 1.00 0.00 C ATOM 412 C GLY A 29 16.392 17.525 31.977 1.00 0.00 C ATOM 413 O GLY A 29 15.877 16.993 30.987 1.00 0.00 O ATOM 0 H GLY A 29 17.791 17.770 34.609 1.00 0.00 H new ATOM 0 HA2 GLY A 29 17.597 16.111 33.060 1.00 0.00 H new ATOM 0 HA3 GLY A 29 15.877 15.963 33.361 1.00 0.00 H new ATOM 417 N LEU A 30 16.686 18.829 32.013 1.00 0.00 N ATOM 418 CA LEU A 30 16.570 19.725 30.861 1.00 0.00 C ATOM 419 C LEU A 30 17.844 19.620 30.069 1.00 0.00 C ATOM 420 O LEU A 30 18.905 19.990 30.547 1.00 0.00 O ATOM 421 CB LEU A 30 16.465 21.175 31.300 1.00 0.00 C ATOM 422 CG LEU A 30 15.074 21.659 31.665 1.00 0.00 C ATOM 423 CD1 LEU A 30 14.626 20.806 32.806 1.00 0.00 C ATOM 424 CD2 LEU A 30 15.264 23.067 32.168 1.00 0.00 C ATOM 0 H LEU A 30 17.016 19.297 32.857 1.00 0.00 H new ATOM 0 HA LEU A 30 15.684 19.443 30.293 1.00 0.00 H new ATOM 0 HB2 LEU A 30 17.117 21.322 32.161 1.00 0.00 H new ATOM 0 HB3 LEU A 30 16.849 21.806 30.498 1.00 0.00 H new ATOM 0 HG LEU A 30 14.361 21.617 30.842 1.00 0.00 H new ATOM 0 HD11 LEU A 30 13.625 21.108 33.115 1.00 0.00 H new ATOM 0 HD12 LEU A 30 14.610 19.761 32.495 1.00 0.00 H new ATOM 0 HD13 LEU A 30 15.315 20.925 33.642 1.00 0.00 H new ATOM 0 HD21 LEU A 30 14.298 23.485 32.452 1.00 0.00 H new ATOM 0 HD22 LEU A 30 15.925 23.058 33.035 1.00 0.00 H new ATOM 0 HD23 LEU A 30 15.707 23.678 31.381 1.00 0.00 H new ATOM 436 N THR A 31 17.736 19.051 28.888 1.00 0.00 N ATOM 437 CA THR A 31 18.820 18.734 27.985 1.00 0.00 C ATOM 438 C THR A 31 19.173 19.896 27.049 1.00 0.00 C ATOM 439 O THR A 31 18.295 20.556 26.494 1.00 0.00 O ATOM 440 CB THR A 31 18.409 17.499 27.185 1.00 0.00 C ATOM 441 OG1 THR A 31 18.187 16.404 28.050 1.00 0.00 O ATOM 442 CG2 THR A 31 19.554 17.143 26.277 1.00 0.00 C ATOM 0 H THR A 31 16.829 18.780 28.509 1.00 0.00 H new ATOM 0 HA THR A 31 19.721 18.541 28.567 1.00 0.00 H new ATOM 0 HB THR A 31 17.496 17.712 26.629 1.00 0.00 H new ATOM 0 HG1 THR A 31 17.923 15.620 27.524 1.00 0.00 H new ATOM 0 HG21 THR A 31 19.293 16.263 25.690 1.00 0.00 H new ATOM 0 HG22 THR A 31 19.760 17.978 25.607 1.00 0.00 H new ATOM 0 HG23 THR A 31 20.440 16.930 26.875 1.00 0.00 H new ATOM 450 N TYR A 32 20.474 20.127 26.849 1.00 0.00 N ATOM 451 CA TYR A 32 21.049 21.198 26.045 1.00 0.00 C ATOM 452 C TYR A 32 22.531 20.959 25.684 1.00 0.00 C ATOM 453 O TYR A 32 23.327 20.348 26.400 1.00 0.00 O ATOM 454 CB TYR A 32 20.910 22.523 26.795 1.00 0.00 C ATOM 455 CG TYR A 32 21.510 22.484 28.178 1.00 0.00 C ATOM 456 CD1 TYR A 32 20.811 21.907 29.245 1.00 0.00 C ATOM 457 CD2 TYR A 32 22.802 22.965 28.376 1.00 0.00 C ATOM 458 CE1 TYR A 32 21.349 21.844 30.527 1.00 0.00 C ATOM 459 CE2 TYR A 32 23.341 23.005 29.676 1.00 0.00 C ATOM 460 CZ TYR A 32 22.617 22.435 30.762 1.00 0.00 C ATOM 461 OH TYR A 32 23.146 22.444 32.014 1.00 0.00 O ATOM 0 H TYR A 32 21.191 19.535 27.270 1.00 0.00 H new ATOM 0 HA TYR A 32 20.497 21.225 25.105 1.00 0.00 H new ATOM 0 HB2 TYR A 32 21.392 23.313 26.218 1.00 0.00 H new ATOM 0 HB3 TYR A 32 19.854 22.782 26.870 1.00 0.00 H new ATOM 0 HD1 TYR A 32 19.827 21.499 29.068 1.00 0.00 H new ATOM 0 HD2 TYR A 32 23.388 23.306 27.535 1.00 0.00 H new ATOM 0 HE1 TYR A 32 20.812 21.355 31.327 1.00 0.00 H new ATOM 0 HE2 TYR A 32 24.302 23.467 29.849 1.00 0.00 H new ATOM 0 HH TYR A 32 24.020 22.887 31.997 1.00 0.00 H new ATOM 471 N ARG A 33 22.926 21.508 24.540 1.00 0.00 N ATOM 472 CA ARG A 33 24.223 21.449 23.866 1.00 0.00 C ATOM 473 C ARG A 33 24.908 22.805 23.895 1.00 0.00 C ATOM 474 O ARG A 33 24.616 23.731 23.149 1.00 0.00 O ATOM 475 CB ARG A 33 24.072 20.933 22.431 1.00 0.00 C ATOM 476 CG ARG A 33 22.697 21.271 21.866 1.00 0.00 C ATOM 477 CD ARG A 33 22.629 21.386 20.355 1.00 0.00 C ATOM 478 NE ARG A 33 22.938 20.110 19.699 1.00 0.00 N ATOM 479 CZ ARG A 33 23.766 19.941 18.684 1.00 0.00 C ATOM 480 NH1 ARG A 33 24.614 20.861 18.320 1.00 0.00 N ATOM 481 NH2 ARG A 33 23.759 18.829 18.017 1.00 0.00 N ATOM 0 H ARG A 33 22.270 22.071 23.999 1.00 0.00 H new ATOM 0 HA ARG A 33 24.855 20.744 24.406 1.00 0.00 H new ATOM 0 HB2 ARG A 33 24.845 21.372 21.801 1.00 0.00 H new ATOM 0 HB3 ARG A 33 24.220 19.853 22.412 1.00 0.00 H new ATOM 0 HG2 ARG A 33 21.991 20.505 22.188 1.00 0.00 H new ATOM 0 HG3 ARG A 33 22.365 22.214 22.301 1.00 0.00 H new ATOM 0 HD2 ARG A 33 21.633 21.715 20.060 1.00 0.00 H new ATOM 0 HD3 ARG A 33 23.330 22.149 20.016 1.00 0.00 H new ATOM 0 HE ARG A 33 22.471 19.278 20.060 1.00 0.00 H new ATOM 0 HH11 ARG A 33 24.653 21.747 18.824 1.00 0.00 H new ATOM 0 HH12 ARG A 33 25.239 20.695 17.531 1.00 0.00 H new ATOM 0 HH21 ARG A 33 23.113 18.083 18.276 1.00 0.00 H new ATOM 0 HH22 ARG A 33 24.399 18.700 17.233 1.00 0.00 H new ATOM 495 N THR A 34 25.818 22.848 24.839 1.00 0.00 N ATOM 496 CA THR A 34 26.730 23.936 25.227 1.00 0.00 C ATOM 497 C THR A 34 28.178 23.465 25.202 1.00 0.00 C ATOM 498 O THR A 34 28.443 22.255 25.199 1.00 0.00 O ATOM 499 CB THR A 34 26.399 24.465 26.632 1.00 0.00 C ATOM 500 OG1 THR A 34 26.365 23.412 27.580 1.00 0.00 O ATOM 501 CG2 THR A 34 25.044 25.155 26.688 1.00 0.00 C ATOM 0 H THR A 34 25.966 22.032 25.433 1.00 0.00 H new ATOM 0 HA THR A 34 26.598 24.740 24.503 1.00 0.00 H new ATOM 0 HB THR A 34 27.188 25.180 26.867 1.00 0.00 H new ATOM 0 HG1 THR A 34 25.438 23.248 27.853 1.00 0.00 H new ATOM 0 HG21 THR A 34 24.858 25.510 27.702 1.00 0.00 H new ATOM 0 HG22 THR A 34 25.038 26.001 26.000 1.00 0.00 H new ATOM 0 HG23 THR A 34 24.264 24.449 26.402 1.00 0.00 H new ATOM 509 N CYS A 35 29.111 24.416 25.231 1.00 0.00 N ATOM 510 CA CYS A 35 30.556 24.177 25.159 1.00 0.00 C ATOM 511 C CYS A 35 31.079 23.299 26.331 1.00 0.00 C ATOM 512 O CYS A 35 31.443 23.826 27.382 1.00 0.00 O ATOM 513 CB CYS A 35 31.295 25.533 25.129 1.00 0.00 C ATOM 514 SG CYS A 35 30.624 26.970 24.228 1.00 0.00 S ATOM 0 H CYS A 35 28.877 25.406 25.308 1.00 0.00 H new ATOM 0 HA CYS A 35 30.755 23.620 24.243 1.00 0.00 H new ATOM 0 HB2 CYS A 35 31.427 25.844 26.165 1.00 0.00 H new ATOM 0 HB3 CYS A 35 32.289 25.342 24.724 1.00 0.00 H new ATOM 519 N ASN A 36 31.117 21.961 26.203 1.00 0.00 N ATOM 520 CA ASN A 36 31.704 21.107 27.247 1.00 0.00 C ATOM 521 C ASN A 36 33.238 21.116 27.152 1.00 0.00 C ATOM 522 O ASN A 36 33.816 21.350 26.088 1.00 0.00 O ATOM 523 CB ASN A 36 31.150 19.658 27.219 1.00 0.00 C ATOM 524 CG ASN A 36 31.297 19.028 28.596 1.00 0.00 C ATOM 525 OD1 ASN A 36 30.614 19.418 29.523 1.00 0.00 O ATOM 526 ND2 ASN A 36 32.208 18.103 28.798 1.00 0.00 N ATOM 0 H ASN A 36 30.753 21.454 25.397 1.00 0.00 H new ATOM 0 HA ASN A 36 31.410 21.530 28.208 1.00 0.00 H new ATOM 0 HB2 ASN A 36 30.101 19.665 26.921 1.00 0.00 H new ATOM 0 HB3 ASN A 36 31.688 19.067 26.478 1.00 0.00 H new ATOM 0 HD21 ASN A 36 32.341 17.713 29.731 1.00 0.00 H new ATOM 0 HD22 ASN A 36 32.782 17.774 28.022 1.00 0.00 H new ATOM 533 N LEU A 37 33.907 20.807 28.262 1.00 0.00 N ATOM 534 CA LEU A 37 35.341 20.656 28.319 1.00 0.00 C ATOM 535 C LEU A 37 35.818 19.409 27.545 1.00 0.00 C ATOM 536 O LEU A 37 36.846 19.495 26.885 1.00 0.00 O ATOM 537 CB LEU A 37 35.741 20.627 29.819 1.00 0.00 C ATOM 538 CG LEU A 37 36.865 21.537 30.271 1.00 0.00 C ATOM 539 CD1 LEU A 37 38.034 21.294 29.364 1.00 0.00 C ATOM 540 CD2 LEU A 37 36.321 22.946 30.244 1.00 0.00 C ATOM 0 H LEU A 37 33.448 20.654 29.160 1.00 0.00 H new ATOM 0 HA LEU A 37 35.836 21.493 27.826 1.00 0.00 H new ATOM 0 HB2 LEU A 37 34.856 20.872 30.406 1.00 0.00 H new ATOM 0 HB3 LEU A 37 36.017 19.603 30.072 1.00 0.00 H new ATOM 0 HG LEU A 37 37.220 21.350 31.285 1.00 0.00 H new ATOM 0 HD11 LEU A 37 38.864 21.935 29.661 1.00 0.00 H new ATOM 0 HD12 LEU A 37 38.338 20.250 29.434 1.00 0.00 H new ATOM 0 HD13 LEU A 37 37.750 21.521 28.336 1.00 0.00 H new ATOM 0 HD21 LEU A 37 37.097 23.642 30.563 1.00 0.00 H new ATOM 0 HD22 LEU A 37 36.005 23.195 29.231 1.00 0.00 H new ATOM 0 HD23 LEU A 37 35.468 23.020 30.919 1.00 0.00 H new ATOM 552 N LEU A 38 35.080 18.281 27.625 1.00 0.00 N ATOM 553 CA LEU A 38 35.346 16.951 27.014 1.00 0.00 C ATOM 554 C LEU A 38 34.123 16.374 26.249 1.00 0.00 C ATOM 555 O LEU A 38 33.002 16.824 26.495 1.00 0.00 O ATOM 556 CB LEU A 38 35.765 15.922 28.107 1.00 0.00 C ATOM 557 CG LEU A 38 37.203 15.809 28.575 1.00 0.00 C ATOM 558 CD1 LEU A 38 38.047 15.267 27.453 1.00 0.00 C ATOM 559 CD2 LEU A 38 37.652 17.167 28.983 1.00 0.00 C ATOM 0 H LEU A 38 34.212 18.271 28.161 1.00 0.00 H new ATOM 0 HA LEU A 38 36.152 17.110 26.298 1.00 0.00 H new ATOM 0 HB2 LEU A 38 35.160 16.132 28.989 1.00 0.00 H new ATOM 0 HB3 LEU A 38 35.471 14.937 27.745 1.00 0.00 H new ATOM 0 HG LEU A 38 37.296 15.128 29.421 1.00 0.00 H new ATOM 0 HD11 LEU A 38 39.082 15.184 27.784 1.00 0.00 H new ATOM 0 HD12 LEU A 38 37.678 14.283 27.163 1.00 0.00 H new ATOM 0 HD13 LEU A 38 37.993 15.941 26.598 1.00 0.00 H new ATOM 0 HD21 LEU A 38 38.686 17.121 29.326 1.00 0.00 H new ATOM 0 HD22 LEU A 38 37.582 17.844 28.132 1.00 0.00 H new ATOM 0 HD23 LEU A 38 37.018 17.533 29.791 1.00 0.00 H new ATOM 571 N PRO A 39 34.309 15.375 25.361 1.00 0.00 N ATOM 572 CA PRO A 39 33.242 14.670 24.639 1.00 0.00 C ATOM 573 C PRO A 39 32.457 13.652 25.483 1.00 0.00 C ATOM 574 O PRO A 39 32.902 13.285 26.595 1.00 0.00 O ATOM 575 CB PRO A 39 33.951 13.969 23.476 1.00 0.00 C ATOM 576 CG PRO A 39 35.335 13.660 24.046 1.00 0.00 C ATOM 577 CD PRO A 39 35.604 14.872 24.936 1.00 0.00 C ATOM 0 HA PRO A 39 32.482 15.386 24.324 1.00 0.00 H new ATOM 0 HB2 PRO A 39 33.428 13.062 23.174 1.00 0.00 H new ATOM 0 HB3 PRO A 39 34.012 14.610 22.596 1.00 0.00 H new ATOM 0 HG2 PRO A 39 35.341 12.730 24.614 1.00 0.00 H new ATOM 0 HG3 PRO A 39 36.084 13.559 23.261 1.00 0.00 H new ATOM 0 HD2 PRO A 39 36.212 14.593 25.797 1.00 0.00 H new ATOM 0 HD3 PRO A 39 36.156 15.637 24.391 1.00 0.00 H new