USER MOD reduce.3.24.130724 H: found=0, std=0, add=263, rem=0, adj=12 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 25 THR OG1 : rot 131:sc= -1.22 USER MOD Set 1.2: A 31 THR OG1 : rot 180:sc= 0.369 USER MOD Set 2.1: A 24 LYS NZ :NH3+ -173:sc= 1.11 (180deg=0) USER MOD Set 2.2: A 36 ASN : amide:sc= -0.272! C(o=0.84!,f=-5.5!) USER MOD Set 3.1: A 8 SER OG : rot 180:sc= 0.0833 USER MOD Set 3.2: A 9 ASN : amide:sc= 0.111 K(o=0.19,f=-3.7!) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0.00209 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0917 USER MOD Single : A 18 CYS SG : rot 180:sc= -0.828 USER MOD Single : A 19 GLN : amide:sc= -0.034 X(o=-0.034,f=-0.095) USER MOD Single : A 22 LYS NZ :NH3+ -147:sc= 0.895 (180deg=0.284) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot -160:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 44 N GLU A 4 26.905 29.121 27.362 1.00 0.00 N ATOM 45 CA GLU A 4 25.983 29.384 26.245 1.00 0.00 C ATOM 46 C GLU A 4 25.759 28.161 25.301 1.00 0.00 C ATOM 47 O GLU A 4 26.478 27.153 25.365 1.00 0.00 O ATOM 48 CB GLU A 4 26.429 30.692 25.536 1.00 0.00 C ATOM 49 CG GLU A 4 25.746 31.948 26.096 1.00 0.00 C ATOM 50 CD GLU A 4 25.856 32.099 27.616 1.00 0.00 C ATOM 51 OE1 GLU A 4 26.940 32.465 28.129 1.00 0.00 O ATOM 52 OE2 GLU A 4 24.851 31.816 28.308 1.00 0.00 O ATOM 0 HA GLU A 4 24.979 29.540 26.639 1.00 0.00 H new ATOM 0 HB2 GLU A 4 27.509 30.800 25.633 1.00 0.00 H new ATOM 0 HB3 GLU A 4 26.211 30.612 24.471 1.00 0.00 H new ATOM 0 HG2 GLU A 4 26.183 32.827 25.622 1.00 0.00 H new ATOM 0 HG3 GLU A 4 24.692 31.928 25.820 1.00 0.00 H new ATOM 59 N PRO A 5 24.695 28.177 24.469 1.00 0.00 N ATOM 60 CA PRO A 5 24.388 27.056 23.583 1.00 0.00 C ATOM 61 C PRO A 5 25.338 26.992 22.375 1.00 0.00 C ATOM 62 O PRO A 5 25.814 28.022 21.888 1.00 0.00 O ATOM 63 CB PRO A 5 22.936 27.279 23.149 1.00 0.00 C ATOM 64 CG PRO A 5 22.793 28.801 23.170 1.00 0.00 C ATOM 65 CD PRO A 5 23.673 29.212 24.348 1.00 0.00 C ATOM 0 HA PRO A 5 24.520 26.100 24.090 1.00 0.00 H new ATOM 0 HB2 PRO A 5 22.745 26.871 22.157 1.00 0.00 H new ATOM 0 HB3 PRO A 5 22.234 26.799 23.831 1.00 0.00 H new ATOM 0 HG2 PRO A 5 23.132 29.251 22.237 1.00 0.00 H new ATOM 0 HG3 PRO A 5 21.757 29.107 23.314 1.00 0.00 H new ATOM 0 HD2 PRO A 5 24.125 30.188 24.175 1.00 0.00 H new ATOM 0 HD3 PRO A 5 23.087 29.290 25.264 1.00 0.00 H new ATOM 73 N CYS A 6 25.547 25.785 21.842 1.00 0.00 N ATOM 74 CA CYS A 6 26.404 25.542 20.675 1.00 0.00 C ATOM 75 C CYS A 6 25.766 24.679 19.578 1.00 0.00 C ATOM 76 O CYS A 6 24.951 23.790 19.831 1.00 0.00 O ATOM 77 CB CYS A 6 27.721 24.941 21.156 1.00 0.00 C ATOM 78 SG CYS A 6 27.569 23.384 22.069 1.00 0.00 S ATOM 0 H CYS A 6 25.120 24.936 22.213 1.00 0.00 H new ATOM 0 HA CYS A 6 26.570 26.506 20.193 1.00 0.00 H new ATOM 0 HB2 CYS A 6 28.364 24.776 20.291 1.00 0.00 H new ATOM 0 HB3 CYS A 6 28.224 25.669 21.792 1.00 0.00 H new ATOM 83 N SER A 7 26.195 24.948 18.343 1.00 0.00 N ATOM 84 CA SER A 7 25.852 24.232 17.109 1.00 0.00 C ATOM 85 C SER A 7 26.677 22.944 16.956 1.00 0.00 C ATOM 86 O SER A 7 26.125 21.860 16.775 1.00 0.00 O ATOM 87 CB SER A 7 26.069 25.202 15.940 1.00 0.00 C ATOM 88 OG SER A 7 25.575 24.703 14.717 1.00 0.00 O ATOM 0 H SER A 7 26.834 25.723 18.165 1.00 0.00 H new ATOM 0 HA SER A 7 24.811 23.910 17.132 1.00 0.00 H new ATOM 0 HB2 SER A 7 25.580 26.150 16.165 1.00 0.00 H new ATOM 0 HB3 SER A 7 27.134 25.409 15.839 1.00 0.00 H new ATOM 0 HG SER A 7 25.737 25.359 14.007 1.00 0.00 H new ATOM 94 N SER A 8 28.009 23.051 17.058 1.00 0.00 N ATOM 95 CA SER A 8 28.981 21.946 17.027 1.00 0.00 C ATOM 96 C SER A 8 30.323 22.388 17.644 1.00 0.00 C ATOM 97 O SER A 8 30.421 23.495 18.171 1.00 0.00 O ATOM 98 CB SER A 8 29.171 21.455 15.586 1.00 0.00 C ATOM 99 OG SER A 8 29.841 20.207 15.605 1.00 0.00 O ATOM 0 H SER A 8 28.463 23.958 17.170 1.00 0.00 H new ATOM 0 HA SER A 8 28.596 21.119 17.624 1.00 0.00 H new ATOM 0 HB2 SER A 8 28.204 21.355 15.092 1.00 0.00 H new ATOM 0 HB3 SER A 8 29.747 22.182 15.014 1.00 0.00 H new ATOM 0 HG SER A 8 29.964 19.888 14.687 1.00 0.00 H new ATOM 105 N ASN A 9 31.366 21.551 17.593 1.00 0.00 N ATOM 106 CA ASN A 9 32.723 21.846 18.091 1.00 0.00 C ATOM 107 C ASN A 9 33.256 23.208 17.629 1.00 0.00 C ATOM 108 O ASN A 9 33.792 23.990 18.416 1.00 0.00 O ATOM 109 CB ASN A 9 33.723 20.727 17.693 1.00 0.00 C ATOM 110 CG ASN A 9 33.821 20.371 16.214 1.00 0.00 C ATOM 111 OD1 ASN A 9 33.058 20.797 15.366 1.00 0.00 O ATOM 112 ND2 ASN A 9 34.788 19.567 15.845 1.00 0.00 N ATOM 0 H ASN A 9 31.290 20.617 17.191 1.00 0.00 H new ATOM 0 HA ASN A 9 32.636 21.886 19.177 1.00 0.00 H new ATOM 0 HB2 ASN A 9 34.715 21.023 18.035 1.00 0.00 H new ATOM 0 HB3 ASN A 9 33.454 19.824 18.240 1.00 0.00 H new ATOM 0 HD21 ASN A 9 34.890 19.309 14.863 1.00 0.00 H new ATOM 0 HD22 ASN A 9 35.438 19.199 16.539 1.00 0.00 H new ATOM 119 N SER A 10 33.112 23.470 16.333 1.00 0.00 N ATOM 120 CA SER A 10 33.627 24.640 15.637 1.00 0.00 C ATOM 121 C SER A 10 33.024 25.985 16.072 1.00 0.00 C ATOM 122 O SER A 10 33.610 27.031 15.807 1.00 0.00 O ATOM 123 CB SER A 10 33.587 24.380 14.149 1.00 0.00 C ATOM 124 OG SER A 10 32.276 24.081 13.711 1.00 0.00 O ATOM 0 H SER A 10 32.607 22.839 15.711 1.00 0.00 H new ATOM 0 HA SER A 10 34.666 24.775 15.938 1.00 0.00 H new ATOM 0 HB2 SER A 10 33.960 25.254 13.615 1.00 0.00 H new ATOM 0 HB3 SER A 10 34.251 23.551 13.905 1.00 0.00 H new ATOM 0 HG SER A 10 32.283 23.920 12.744 1.00 0.00 H new ATOM 130 N ASP A 11 31.933 25.952 16.839 1.00 0.00 N ATOM 131 CA ASP A 11 31.219 27.106 17.398 1.00 0.00 C ATOM 132 C ASP A 11 31.900 27.747 18.631 1.00 0.00 C ATOM 133 O ASP A 11 31.444 28.796 19.082 1.00 0.00 O ATOM 134 CB ASP A 11 29.794 26.620 17.772 1.00 0.00 C ATOM 135 CG ASP A 11 28.682 27.660 17.655 1.00 0.00 C ATOM 136 OD1 ASP A 11 28.830 28.678 16.954 1.00 0.00 O ATOM 137 OD2 ASP A 11 27.577 27.376 18.178 1.00 0.00 O ATOM 0 H ASP A 11 31.497 25.069 17.103 1.00 0.00 H new ATOM 0 HA ASP A 11 31.210 27.893 16.644 1.00 0.00 H new ATOM 0 HB2 ASP A 11 29.541 25.773 17.134 1.00 0.00 H new ATOM 0 HB3 ASP A 11 29.814 26.252 18.798 1.00 0.00 H new ATOM 142 N CYS A 12 32.999 27.177 19.169 1.00 0.00 N ATOM 143 CA CYS A 12 33.631 27.643 20.422 1.00 0.00 C ATOM 144 C CYS A 12 35.161 27.523 20.429 1.00 0.00 C ATOM 145 O CYS A 12 35.817 27.648 21.464 1.00 0.00 O ATOM 146 CB CYS A 12 33.056 26.825 21.581 1.00 0.00 C ATOM 147 SG CYS A 12 31.364 27.242 22.048 1.00 0.00 S ATOM 0 H CYS A 12 33.474 26.379 18.746 1.00 0.00 H new ATOM 0 HA CYS A 12 33.409 28.706 20.520 1.00 0.00 H new ATOM 0 HB2 CYS A 12 33.093 25.769 21.313 1.00 0.00 H new ATOM 0 HB3 CYS A 12 33.699 26.955 22.451 1.00 0.00 H new ATOM 152 N ILE A 13 35.752 27.249 19.272 1.00 0.00 N ATOM 153 CA ILE A 13 37.159 27.040 19.069 1.00 0.00 C ATOM 154 C ILE A 13 37.931 28.319 19.370 1.00 0.00 C ATOM 155 O ILE A 13 37.503 29.421 19.043 1.00 0.00 O ATOM 156 CB ILE A 13 37.328 26.681 17.594 1.00 0.00 C ATOM 157 CG1 ILE A 13 36.458 25.563 17.068 1.00 0.00 C ATOM 158 CG2 ILE A 13 38.750 26.353 17.269 1.00 0.00 C ATOM 159 CD1 ILE A 13 36.839 24.134 17.391 1.00 0.00 C ATOM 0 H ILE A 13 35.220 27.164 18.406 1.00 0.00 H new ATOM 0 HA ILE A 13 37.538 26.256 19.725 1.00 0.00 H new ATOM 0 HB ILE A 13 36.996 27.590 17.092 1.00 0.00 H new ATOM 0 HG12 ILE A 13 35.447 25.728 17.440 1.00 0.00 H new ATOM 0 HG13 ILE A 13 36.418 25.658 15.983 1.00 0.00 H new ATOM 0 HG21 ILE A 13 38.833 26.102 16.211 1.00 0.00 H new ATOM 0 HG22 ILE A 13 39.381 27.214 17.489 1.00 0.00 H new ATOM 0 HG23 ILE A 13 39.074 25.503 17.870 1.00 0.00 H new ATOM 0 HD11 ILE A 13 36.115 23.454 16.941 1.00 0.00 H new ATOM 0 HD12 ILE A 13 37.831 23.923 16.992 1.00 0.00 H new ATOM 0 HD13 ILE A 13 36.845 23.995 18.472 1.00 0.00 H new ATOM 171 N GLY A 14 39.112 28.144 19.946 1.00 0.00 N ATOM 172 CA GLY A 14 40.101 29.189 20.248 1.00 0.00 C ATOM 173 C GLY A 14 39.698 30.236 21.307 1.00 0.00 C ATOM 174 O GLY A 14 40.551 30.665 22.084 1.00 0.00 O ATOM 0 H GLY A 14 39.431 27.219 20.234 1.00 0.00 H new ATOM 0 HA2 GLY A 14 41.019 28.704 20.581 1.00 0.00 H new ATOM 0 HA3 GLY A 14 40.336 29.714 19.322 1.00 0.00 H new ATOM 178 N ILE A 15 38.420 30.631 21.374 1.00 0.00 N ATOM 179 CA ILE A 15 37.856 31.640 22.297 1.00 0.00 C ATOM 180 C ILE A 15 37.967 31.235 23.762 1.00 0.00 C ATOM 181 O ILE A 15 37.962 32.071 24.666 1.00 0.00 O ATOM 182 CB ILE A 15 36.420 32.052 21.895 1.00 0.00 C ATOM 183 CG1 ILE A 15 35.311 30.976 21.853 1.00 0.00 C ATOM 184 CG2 ILE A 15 36.511 32.611 20.475 1.00 0.00 C ATOM 185 CD1 ILE A 15 34.975 30.336 23.198 1.00 0.00 C ATOM 0 H ILE A 15 37.710 30.238 20.756 1.00 0.00 H new ATOM 0 HA ILE A 15 38.476 32.531 22.196 1.00 0.00 H new ATOM 0 HB ILE A 15 36.112 32.732 22.689 1.00 0.00 H new ATOM 0 HG12 ILE A 15 34.405 31.426 21.447 1.00 0.00 H new ATOM 0 HG13 ILE A 15 35.615 30.191 21.161 1.00 0.00 H new ATOM 0 HG21 ILE A 15 35.520 32.918 20.141 1.00 0.00 H new ATOM 0 HG22 ILE A 15 37.180 33.471 20.465 1.00 0.00 H new ATOM 0 HG23 ILE A 15 36.898 31.843 19.806 1.00 0.00 H new ATOM 0 HD11 ILE A 15 34.187 29.596 23.062 1.00 0.00 H new ATOM 0 HD12 ILE A 15 35.863 29.850 23.602 1.00 0.00 H new ATOM 0 HD13 ILE A 15 34.635 31.105 23.892 1.00 0.00 H new ATOM 197 N THR A 16 38.044 29.933 24.002 1.00 0.00 N ATOM 198 CA THR A 16 38.262 29.229 25.250 1.00 0.00 C ATOM 199 C THR A 16 38.725 27.795 24.925 1.00 0.00 C ATOM 200 O THR A 16 38.506 27.296 23.824 1.00 0.00 O ATOM 201 CB THR A 16 36.923 29.187 25.993 1.00 0.00 C ATOM 202 OG1 THR A 16 36.447 30.476 26.280 1.00 0.00 O ATOM 203 CG2 THR A 16 37.076 28.508 27.321 1.00 0.00 C ATOM 0 H THR A 16 37.943 29.271 23.233 1.00 0.00 H new ATOM 0 HA THR A 16 39.017 29.721 25.862 1.00 0.00 H new ATOM 0 HB THR A 16 36.234 28.654 25.338 1.00 0.00 H new ATOM 0 HG1 THR A 16 35.591 30.411 26.752 1.00 0.00 H new ATOM 0 HG21 THR A 16 36.114 28.489 27.833 1.00 0.00 H new ATOM 0 HG22 THR A 16 37.427 27.487 27.169 1.00 0.00 H new ATOM 0 HG23 THR A 16 37.799 29.054 27.928 1.00 0.00 H new ATOM 211 N LEU A 17 39.295 27.085 25.901 1.00 0.00 N ATOM 212 CA LEU A 17 39.704 25.674 25.877 1.00 0.00 C ATOM 213 C LEU A 17 38.511 24.681 25.787 1.00 0.00 C ATOM 214 O LEU A 17 38.636 23.533 26.192 1.00 0.00 O ATOM 215 CB LEU A 17 40.490 25.425 27.183 1.00 0.00 C ATOM 216 CG LEU A 17 41.674 26.360 27.449 1.00 0.00 C ATOM 217 CD1 LEU A 17 41.943 26.264 28.940 1.00 0.00 C ATOM 218 CD2 LEU A 17 42.879 25.900 26.645 1.00 0.00 C ATOM 0 H LEU A 17 39.500 27.515 26.803 1.00 0.00 H new ATOM 0 HA LEU A 17 40.301 25.496 24.983 1.00 0.00 H new ATOM 0 HB2 LEU A 17 39.797 25.504 28.020 1.00 0.00 H new ATOM 0 HB3 LEU A 17 40.859 24.400 27.170 1.00 0.00 H new ATOM 0 HG LEU A 17 41.466 27.389 27.154 1.00 0.00 H new ATOM 0 HD11 LEU A 17 42.781 26.910 29.201 1.00 0.00 H new ATOM 0 HD12 LEU A 17 41.057 26.579 29.491 1.00 0.00 H new ATOM 0 HD13 LEU A 17 42.185 25.234 29.201 1.00 0.00 H new ATOM 0 HD21 LEU A 17 43.720 26.567 26.836 1.00 0.00 H new ATOM 0 HD22 LEU A 17 43.147 24.885 26.939 1.00 0.00 H new ATOM 0 HD23 LEU A 17 42.636 25.918 25.583 1.00 0.00 H new ATOM 230 N CYS A 18 37.357 25.104 25.260 1.00 0.00 N ATOM 231 CA CYS A 18 36.099 24.353 25.216 1.00 0.00 C ATOM 232 C CYS A 18 35.640 24.061 23.777 1.00 0.00 C ATOM 233 O CYS A 18 34.591 24.507 23.321 1.00 0.00 O ATOM 234 CB CYS A 18 35.064 25.087 26.084 1.00 0.00 C ATOM 235 SG CYS A 18 35.190 24.612 27.833 1.00 0.00 S ATOM 0 H CYS A 18 37.271 26.026 24.831 1.00 0.00 H new ATOM 0 HA CYS A 18 36.240 23.359 25.640 1.00 0.00 H new ATOM 0 HB2 CYS A 18 35.208 26.163 25.989 1.00 0.00 H new ATOM 0 HB3 CYS A 18 34.061 24.866 25.719 1.00 0.00 H new ATOM 0 HG CYS A 18 34.299 25.259 28.524 1.00 0.00 H new ATOM 240 N GLN A 19 36.460 23.285 23.065 1.00 0.00 N ATOM 241 CA GLN A 19 36.229 22.810 21.691 1.00 0.00 C ATOM 242 C GLN A 19 35.149 21.712 21.570 1.00 0.00 C ATOM 243 O GLN A 19 34.783 21.372 20.450 1.00 0.00 O ATOM 244 CB GLN A 19 37.558 22.342 21.045 1.00 0.00 C ATOM 245 CG GLN A 19 38.531 21.659 22.025 1.00 0.00 C ATOM 246 CD GLN A 19 39.774 21.002 21.418 1.00 0.00 C ATOM 247 OE1 GLN A 19 40.327 20.067 21.976 1.00 0.00 O ATOM 248 NE2 GLN A 19 40.327 21.485 20.329 1.00 0.00 N ATOM 0 H GLN A 19 37.346 22.953 23.445 1.00 0.00 H new ATOM 0 HA GLN A 19 35.837 23.668 21.146 1.00 0.00 H new ATOM 0 HB2 GLN A 19 37.331 21.649 20.235 1.00 0.00 H new ATOM 0 HB3 GLN A 19 38.055 23.203 20.598 1.00 0.00 H new ATOM 0 HG2 GLN A 19 38.860 22.403 22.751 1.00 0.00 H new ATOM 0 HG3 GLN A 19 37.979 20.898 22.576 1.00 0.00 H new ATOM 0 HE21 GLN A 19 39.891 22.266 19.839 1.00 0.00 H new ATOM 0 HE22 GLN A 19 41.193 21.079 19.974 1.00 0.00 H new ATOM 257 N PHE A 20 34.613 21.147 22.660 1.00 0.00 N ATOM 258 CA PHE A 20 33.668 20.021 22.592 1.00 0.00 C ATOM 259 C PHE A 20 32.215 20.367 22.941 1.00 0.00 C ATOM 260 O PHE A 20 31.791 20.324 24.094 1.00 0.00 O ATOM 261 CB PHE A 20 34.211 18.847 23.402 1.00 0.00 C ATOM 262 CG PHE A 20 35.413 18.201 22.739 1.00 0.00 C ATOM 263 CD1 PHE A 20 35.231 17.312 21.656 1.00 0.00 C ATOM 264 CD2 PHE A 20 36.707 18.481 23.184 1.00 0.00 C ATOM 265 CE1 PHE A 20 36.339 16.743 21.016 1.00 0.00 C ATOM 266 CE2 PHE A 20 37.825 17.911 22.543 1.00 0.00 C ATOM 267 CZ PHE A 20 37.649 17.051 21.456 1.00 0.00 C ATOM 0 H PHE A 20 34.820 21.455 23.610 1.00 0.00 H new ATOM 0 HA PHE A 20 33.602 19.732 21.543 1.00 0.00 H new ATOM 0 HB2 PHE A 20 34.489 19.192 24.398 1.00 0.00 H new ATOM 0 HB3 PHE A 20 33.425 18.102 23.531 1.00 0.00 H new ATOM 0 HD1 PHE A 20 34.233 17.070 21.320 1.00 0.00 H new ATOM 0 HD2 PHE A 20 36.852 19.140 24.027 1.00 0.00 H new ATOM 0 HE1 PHE A 20 36.194 16.068 20.185 1.00 0.00 H new ATOM 0 HE2 PHE A 20 38.821 18.140 22.893 1.00 0.00 H new ATOM 0 HZ PHE A 20 38.506 16.624 20.955 1.00 0.00 H new ATOM 277 N CYS A 21 31.431 20.712 21.918 1.00 0.00 N ATOM 278 CA CYS A 21 29.992 20.944 22.031 1.00 0.00 C ATOM 279 C CYS A 21 29.293 19.613 22.370 1.00 0.00 C ATOM 280 O CYS A 21 29.182 18.749 21.498 1.00 0.00 O ATOM 281 CB CYS A 21 29.492 21.536 20.709 1.00 0.00 C ATOM 282 SG CYS A 21 27.726 21.922 20.672 1.00 0.00 S ATOM 0 H CYS A 21 31.786 20.840 20.970 1.00 0.00 H new ATOM 0 HA CYS A 21 29.765 21.650 22.830 1.00 0.00 H new ATOM 0 HB2 CYS A 21 30.053 22.447 20.499 1.00 0.00 H new ATOM 0 HB3 CYS A 21 29.713 20.833 19.906 1.00 0.00 H new ATOM 287 N LYS A 22 28.848 19.423 23.623 1.00 0.00 N ATOM 288 CA LYS A 22 28.277 18.154 24.117 1.00 0.00 C ATOM 289 C LYS A 22 26.873 18.308 24.706 1.00 0.00 C ATOM 290 O LYS A 22 26.525 19.349 25.265 1.00 0.00 O ATOM 291 CB LYS A 22 29.319 17.466 25.034 1.00 0.00 C ATOM 292 CG LYS A 22 29.241 17.747 26.533 1.00 0.00 C ATOM 293 CD LYS A 22 28.327 16.789 27.298 1.00 0.00 C ATOM 294 CE LYS A 22 28.791 15.326 27.280 1.00 0.00 C ATOM 295 NZ LYS A 22 27.789 14.413 26.674 1.00 0.00 N ATOM 0 H LYS A 22 28.874 20.155 24.333 1.00 0.00 H new ATOM 0 HA LYS A 22 28.092 17.481 23.280 1.00 0.00 H new ATOM 0 HB2 LYS A 22 29.233 16.389 24.890 1.00 0.00 H new ATOM 0 HB3 LYS A 22 30.312 17.756 24.690 1.00 0.00 H new ATOM 0 HG2 LYS A 22 30.244 17.691 26.956 1.00 0.00 H new ATOM 0 HG3 LYS A 22 28.888 18.767 26.683 1.00 0.00 H new ATOM 0 HD2 LYS A 22 28.255 17.123 28.333 1.00 0.00 H new ATOM 0 HD3 LYS A 22 27.324 16.845 26.874 1.00 0.00 H new ATOM 0 HE2 LYS A 22 29.726 15.253 26.724 1.00 0.00 H new ATOM 0 HE3 LYS A 22 29.000 15.003 28.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 27.836 13.486 27.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 26.837 14.814 26.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 27.991 14.299 25.660 1.00 0.00 H new ATOM 309 N GLU A 23 26.069 17.248 24.605 1.00 0.00 N ATOM 310 CA GLU A 23 24.722 17.152 25.169 1.00 0.00 C ATOM 311 C GLU A 23 24.772 16.779 26.657 1.00 0.00 C ATOM 312 O GLU A 23 25.191 15.681 27.037 1.00 0.00 O ATOM 313 CB GLU A 23 23.872 16.135 24.395 1.00 0.00 C ATOM 314 CG GLU A 23 22.425 16.143 24.823 1.00 0.00 C ATOM 315 CD GLU A 23 21.671 14.951 24.225 1.00 0.00 C ATOM 316 OE1 GLU A 23 21.330 14.993 23.020 1.00 0.00 O ATOM 317 OE2 GLU A 23 21.462 13.961 24.952 1.00 0.00 O ATOM 0 H GLU A 23 26.349 16.401 24.110 1.00 0.00 H new ATOM 0 HA GLU A 23 24.256 18.133 25.076 1.00 0.00 H new ATOM 0 HB2 GLU A 23 23.933 16.353 23.329 1.00 0.00 H new ATOM 0 HB3 GLU A 23 24.285 15.137 24.540 1.00 0.00 H new ATOM 0 HG2 GLU A 23 22.363 16.109 25.911 1.00 0.00 H new ATOM 0 HG3 GLU A 23 21.953 17.073 24.506 1.00 0.00 H new ATOM 324 N LYS A 24 24.389 17.731 27.501 1.00 0.00 N ATOM 325 CA LYS A 24 24.224 17.603 28.948 1.00 0.00 C ATOM 326 C LYS A 24 22.883 18.211 29.319 1.00 0.00 C ATOM 327 O LYS A 24 22.222 18.845 28.504 1.00 0.00 O ATOM 328 CB LYS A 24 25.426 18.211 29.691 1.00 0.00 C ATOM 329 CG LYS A 24 25.552 19.737 29.572 1.00 0.00 C ATOM 330 CD LYS A 24 26.693 20.328 30.426 1.00 0.00 C ATOM 331 CE LYS A 24 28.108 19.881 30.013 1.00 0.00 C ATOM 332 NZ LYS A 24 29.146 20.520 30.870 1.00 0.00 N ATOM 0 H LYS A 24 24.171 18.672 27.174 1.00 0.00 H new ATOM 0 HA LYS A 24 24.211 16.558 29.258 1.00 0.00 H new ATOM 0 HB2 LYS A 24 25.354 17.948 30.746 1.00 0.00 H new ATOM 0 HB3 LYS A 24 26.340 17.754 29.310 1.00 0.00 H new ATOM 0 HG2 LYS A 24 25.717 20.000 28.527 1.00 0.00 H new ATOM 0 HG3 LYS A 24 24.610 20.196 29.871 1.00 0.00 H new ATOM 0 HD2 LYS A 24 26.641 21.416 30.374 1.00 0.00 H new ATOM 0 HD3 LYS A 24 26.529 20.051 31.467 1.00 0.00 H new ATOM 0 HE2 LYS A 24 28.187 18.797 30.089 1.00 0.00 H new ATOM 0 HE3 LYS A 24 28.284 20.141 28.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 30.090 20.296 30.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 29.009 21.551 30.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 29.064 20.160 31.842 1.00 0.00 H new ATOM 346 N THR A 25 22.457 17.972 30.539 1.00 0.00 N ATOM 347 CA THR A 25 21.133 18.392 30.988 1.00 0.00 C ATOM 348 C THR A 25 21.239 18.959 32.379 1.00 0.00 C ATOM 349 O THR A 25 22.219 18.719 33.093 1.00 0.00 O ATOM 350 CB THR A 25 20.183 17.224 30.795 1.00 0.00 C ATOM 351 OG1 THR A 25 18.827 17.471 30.792 1.00 0.00 O ATOM 352 CG2 THR A 25 20.281 16.236 31.900 1.00 0.00 C ATOM 0 H THR A 25 23.007 17.486 31.248 1.00 0.00 H new ATOM 0 HA THR A 25 20.711 19.208 30.402 1.00 0.00 H new ATOM 0 HB THR A 25 20.515 16.902 29.808 1.00 0.00 H new ATOM 0 HG1 THR A 25 18.418 17.041 30.012 1.00 0.00 H new ATOM 0 HG21 THR A 25 19.584 15.418 31.720 1.00 0.00 H new ATOM 0 HG22 THR A 25 21.297 15.843 31.948 1.00 0.00 H new ATOM 0 HG23 THR A 25 20.035 16.721 32.845 1.00 0.00 H new ATOM 360 N ASP A 26 20.275 19.795 32.711 1.00 0.00 N ATOM 361 CA ASP A 26 20.254 20.503 33.974 1.00 0.00 C ATOM 362 C ASP A 26 19.717 19.567 35.066 1.00 0.00 C ATOM 363 O ASP A 26 19.436 18.381 34.866 1.00 0.00 O ATOM 364 CB ASP A 26 19.492 21.836 33.827 1.00 0.00 C ATOM 365 CG ASP A 26 17.983 21.696 33.681 1.00 0.00 C ATOM 366 OD1 ASP A 26 17.473 20.563 33.716 1.00 0.00 O ATOM 367 OD2 ASP A 26 17.343 22.766 33.548 1.00 0.00 O ATOM 0 H ASP A 26 19.479 20.003 32.107 1.00 0.00 H new ATOM 0 HA ASP A 26 21.259 20.787 34.285 1.00 0.00 H new ATOM 0 HB2 ASP A 26 19.703 22.457 34.698 1.00 0.00 H new ATOM 0 HB3 ASP A 26 19.880 22.366 32.957 1.00 0.00 H new ATOM 372 N GLN A 27 19.570 20.112 36.266 1.00 0.00 N ATOM 373 CA GLN A 27 19.070 19.362 37.425 1.00 0.00 C ATOM 374 C GLN A 27 17.561 19.032 37.366 1.00 0.00 C ATOM 375 O GLN A 27 17.029 18.403 38.283 1.00 0.00 O ATOM 376 CB GLN A 27 19.431 20.102 38.711 1.00 0.00 C ATOM 377 CG GLN A 27 18.676 21.424 38.855 1.00 0.00 C ATOM 378 CD GLN A 27 18.968 22.044 40.217 1.00 0.00 C ATOM 379 OE1 GLN A 27 19.870 22.845 40.391 1.00 0.00 O ATOM 380 NE2 GLN A 27 18.261 21.647 41.256 1.00 0.00 N ATOM 0 H GLN A 27 19.792 21.086 36.470 1.00 0.00 H new ATOM 0 HA GLN A 27 19.566 18.391 37.407 1.00 0.00 H new ATOM 0 HB2 GLN A 27 19.210 19.465 39.568 1.00 0.00 H new ATOM 0 HB3 GLN A 27 20.504 20.296 38.727 1.00 0.00 H new ATOM 0 HG2 GLN A 27 18.973 22.111 38.062 1.00 0.00 H new ATOM 0 HG3 GLN A 27 17.605 21.255 38.745 1.00 0.00 H new ATOM 0 HE21 GLN A 27 17.502 20.977 41.131 1.00 0.00 H new ATOM 0 HE22 GLN A 27 18.473 22.010 42.186 1.00 0.00 H new ATOM 389 N TYR A 28 16.866 19.474 36.315 1.00 0.00 N ATOM 390 CA TYR A 28 15.452 19.219 36.040 1.00 0.00 C ATOM 391 C TYR A 28 15.292 18.134 34.965 1.00 0.00 C ATOM 392 O TYR A 28 14.217 17.541 34.845 1.00 0.00 O ATOM 393 CB TYR A 28 14.819 20.526 35.549 1.00 0.00 C ATOM 394 CG TYR A 28 14.886 21.725 36.463 1.00 0.00 C ATOM 395 CD1 TYR A 28 14.730 21.622 37.856 1.00 0.00 C ATOM 396 CD2 TYR A 28 15.100 22.977 35.861 1.00 0.00 C ATOM 397 CE1 TYR A 28 14.739 22.791 38.646 1.00 0.00 C ATOM 398 CE2 TYR A 28 15.081 24.150 36.636 1.00 0.00 C ATOM 399 CZ TYR A 28 14.885 24.056 38.036 1.00 0.00 C ATOM 400 OH TYR A 28 14.809 25.168 38.814 1.00 0.00 O ATOM 0 H TYR A 28 17.300 20.051 35.594 1.00 0.00 H new ATOM 0 HA TYR A 28 14.961 18.869 36.948 1.00 0.00 H new ATOM 0 HB2 TYR A 28 15.295 20.796 34.606 1.00 0.00 H new ATOM 0 HB3 TYR A 28 13.769 20.329 35.331 1.00 0.00 H new ATOM 0 HD1 TYR A 28 14.604 20.654 38.319 1.00 0.00 H new ATOM 0 HD2 TYR A 28 15.280 23.038 34.798 1.00 0.00 H new ATOM 0 HE1 TYR A 28 14.634 22.718 39.718 1.00 0.00 H new ATOM 0 HE2 TYR A 28 15.215 25.114 36.168 1.00 0.00 H new ATOM 0 HH TYR A 28 14.929 25.966 38.257 1.00 0.00 H new ATOM 410 N GLY A 29 16.354 17.865 34.201 1.00 0.00 N ATOM 411 CA GLY A 29 16.344 16.943 33.065 1.00 0.00 C ATOM 412 C GLY A 29 16.073 17.637 31.721 1.00 0.00 C ATOM 413 O GLY A 29 15.650 16.982 30.759 1.00 0.00 O ATOM 0 H GLY A 29 17.266 18.293 34.360 1.00 0.00 H new ATOM 0 HA2 GLY A 29 17.304 16.430 33.014 1.00 0.00 H new ATOM 0 HA3 GLY A 29 15.584 16.180 33.232 1.00 0.00 H new ATOM 417 N LEU A 30 16.266 18.957 31.635 1.00 0.00 N ATOM 418 CA LEU A 30 16.160 19.716 30.387 1.00 0.00 C ATOM 419 C LEU A 30 17.501 19.645 29.700 1.00 0.00 C ATOM 420 O LEU A 30 18.483 20.166 30.199 1.00 0.00 O ATOM 421 CB LEU A 30 15.914 21.190 30.657 1.00 0.00 C ATOM 422 CG LEU A 30 14.472 21.571 30.933 1.00 0.00 C ATOM 423 CD1 LEU A 30 14.097 20.853 32.186 1.00 0.00 C ATOM 424 CD2 LEU A 30 14.513 23.046 31.237 1.00 0.00 C ATOM 0 H LEU A 30 16.503 19.535 32.441 1.00 0.00 H new ATOM 0 HA LEU A 30 15.342 19.301 29.799 1.00 0.00 H new ATOM 0 HB2 LEU A 30 16.521 21.491 31.511 1.00 0.00 H new ATOM 0 HB3 LEU A 30 16.265 21.762 29.798 1.00 0.00 H new ATOM 0 HG LEU A 30 13.785 21.338 30.120 1.00 0.00 H new ATOM 0 HD11 LEU A 30 13.063 21.085 32.443 1.00 0.00 H new ATOM 0 HD12 LEU A 30 14.201 19.779 32.035 1.00 0.00 H new ATOM 0 HD13 LEU A 30 14.753 21.170 32.997 1.00 0.00 H new ATOM 0 HD21 LEU A 30 13.505 23.402 31.449 1.00 0.00 H new ATOM 0 HD22 LEU A 30 15.149 23.221 32.104 1.00 0.00 H new ATOM 0 HD23 LEU A 30 14.915 23.584 30.378 1.00 0.00 H new ATOM 436 N THR A 31 17.558 18.937 28.598 1.00 0.00 N ATOM 437 CA THR A 31 18.768 18.661 27.852 1.00 0.00 C ATOM 438 C THR A 31 19.081 19.760 26.834 1.00 0.00 C ATOM 439 O THR A 31 18.211 20.216 26.086 1.00 0.00 O ATOM 440 CB THR A 31 18.639 17.313 27.150 1.00 0.00 C ATOM 441 OG1 THR A 31 18.405 16.295 28.099 1.00 0.00 O ATOM 442 CG2 THR A 31 19.971 17.032 26.495 1.00 0.00 C ATOM 0 H THR A 31 16.729 18.518 28.176 1.00 0.00 H new ATOM 0 HA THR A 31 19.597 18.632 28.559 1.00 0.00 H new ATOM 0 HB THR A 31 17.818 17.337 26.433 1.00 0.00 H new ATOM 0 HG1 THR A 31 18.322 15.433 27.640 1.00 0.00 H new ATOM 0 HG21 THR A 31 19.927 16.073 25.978 1.00 0.00 H new ATOM 0 HG22 THR A 31 20.198 17.821 25.778 1.00 0.00 H new ATOM 0 HG23 THR A 31 20.751 16.998 27.256 1.00 0.00 H new ATOM 450 N TYR A 32 20.356 20.125 26.758 1.00 0.00 N ATOM 451 CA TYR A 32 20.923 21.164 25.912 1.00 0.00 C ATOM 452 C TYR A 32 22.336 20.805 25.424 1.00 0.00 C ATOM 453 O TYR A 32 23.014 19.939 25.977 1.00 0.00 O ATOM 454 CB TYR A 32 20.912 22.475 26.700 1.00 0.00 C ATOM 455 CG TYR A 32 21.338 22.354 28.149 1.00 0.00 C ATOM 456 CD1 TYR A 32 20.394 22.076 29.148 1.00 0.00 C ATOM 457 CD2 TYR A 32 22.691 22.466 28.489 1.00 0.00 C ATOM 458 CE1 TYR A 32 20.748 22.006 30.494 1.00 0.00 C ATOM 459 CE2 TYR A 32 23.082 22.459 29.841 1.00 0.00 C ATOM 460 CZ TYR A 32 22.104 22.233 30.850 1.00 0.00 C ATOM 461 OH TYR A 32 22.497 22.191 32.149 1.00 0.00 O ATOM 0 H TYR A 32 21.069 19.669 27.327 1.00 0.00 H new ATOM 0 HA TYR A 32 20.319 21.269 25.011 1.00 0.00 H new ATOM 0 HB2 TYR A 32 21.570 23.187 26.202 1.00 0.00 H new ATOM 0 HB3 TYR A 32 19.906 22.893 26.666 1.00 0.00 H new ATOM 0 HD1 TYR A 32 19.364 21.912 28.867 1.00 0.00 H new ATOM 0 HD2 TYR A 32 23.436 22.558 27.713 1.00 0.00 H new ATOM 0 HE1 TYR A 32 20.008 21.784 31.249 1.00 0.00 H new ATOM 0 HE2 TYR A 32 24.115 22.624 30.110 1.00 0.00 H new ATOM 0 HH TYR A 32 23.459 22.369 32.206 1.00 0.00 H new ATOM 471 N ARG A 33 22.820 21.510 24.396 1.00 0.00 N ATOM 472 CA ARG A 33 24.170 21.359 23.833 1.00 0.00 C ATOM 473 C ARG A 33 25.008 22.581 24.178 1.00 0.00 C ATOM 474 O ARG A 33 24.650 23.700 23.818 1.00 0.00 O ATOM 475 CB ARG A 33 24.109 21.103 22.321 1.00 0.00 C ATOM 476 CG ARG A 33 23.841 19.616 22.037 1.00 0.00 C ATOM 477 CD ARG A 33 23.701 19.346 20.534 1.00 0.00 C ATOM 478 NE ARG A 33 22.361 19.699 20.041 1.00 0.00 N ATOM 479 CZ ARG A 33 21.959 19.737 18.787 1.00 0.00 C ATOM 480 NH1 ARG A 33 22.767 19.600 17.777 1.00 0.00 N ATOM 481 NH2 ARG A 33 20.696 19.908 18.535 1.00 0.00 N ATOM 0 H ARG A 33 22.269 22.223 23.917 1.00 0.00 H new ATOM 0 HA ARG A 33 24.650 20.487 24.276 1.00 0.00 H new ATOM 0 HB2 ARG A 33 23.323 21.712 21.875 1.00 0.00 H new ATOM 0 HB3 ARG A 33 25.048 21.404 21.857 1.00 0.00 H new ATOM 0 HG2 ARG A 33 24.656 19.015 22.441 1.00 0.00 H new ATOM 0 HG3 ARG A 33 22.931 19.305 22.550 1.00 0.00 H new ATOM 0 HD2 ARG A 33 24.452 19.919 19.990 1.00 0.00 H new ATOM 0 HD3 ARG A 33 23.897 18.293 20.334 1.00 0.00 H new ATOM 0 HE ARG A 33 21.667 19.941 20.748 1.00 0.00 H new ATOM 0 HH11 ARG A 33 23.764 19.455 17.937 1.00 0.00 H new ATOM 0 HH12 ARG A 33 22.404 19.637 16.825 1.00 0.00 H new ATOM 0 HH21 ARG A 33 20.032 20.011 19.303 1.00 0.00 H new ATOM 0 HH22 ARG A 33 20.368 19.940 17.570 1.00 0.00 H new ATOM 495 N THR A 34 26.082 22.358 24.931 1.00 0.00 N ATOM 496 CA THR A 34 26.972 23.398 25.478 1.00 0.00 C ATOM 497 C THR A 34 28.444 23.060 25.274 1.00 0.00 C ATOM 498 O THR A 34 28.822 21.891 25.171 1.00 0.00 O ATOM 499 CB THR A 34 26.705 23.617 26.975 1.00 0.00 C ATOM 500 OG1 THR A 34 26.673 22.389 27.666 1.00 0.00 O ATOM 501 CG2 THR A 34 25.374 24.322 27.179 1.00 0.00 C ATOM 0 H THR A 34 26.374 21.416 25.191 1.00 0.00 H new ATOM 0 HA THR A 34 26.752 24.314 24.930 1.00 0.00 H new ATOM 0 HB THR A 34 27.515 24.232 27.366 1.00 0.00 H new ATOM 0 HG1 THR A 34 26.202 22.505 28.518 1.00 0.00 H new ATOM 0 HG21 THR A 34 25.200 24.469 28.245 1.00 0.00 H new ATOM 0 HG22 THR A 34 25.394 25.289 26.677 1.00 0.00 H new ATOM 0 HG23 THR A 34 24.572 23.713 26.761 1.00 0.00 H new ATOM 509 N CYS A 35 29.284 24.091 25.199 1.00 0.00 N ATOM 510 CA CYS A 35 30.718 23.951 24.934 1.00 0.00 C ATOM 511 C CYS A 35 31.493 23.479 26.171 1.00 0.00 C ATOM 512 O CYS A 35 31.867 24.272 27.037 1.00 0.00 O ATOM 513 CB CYS A 35 31.249 25.258 24.349 1.00 0.00 C ATOM 514 SG CYS A 35 30.653 25.452 22.659 1.00 0.00 S ATOM 0 H CYS A 35 28.986 25.059 25.322 1.00 0.00 H new ATOM 0 HA CYS A 35 30.872 23.164 24.196 1.00 0.00 H new ATOM 0 HB2 CYS A 35 30.922 26.100 24.959 1.00 0.00 H new ATOM 0 HB3 CYS A 35 32.339 25.258 24.363 1.00 0.00 H new ATOM 519 N ASN A 36 31.713 22.168 26.249 1.00 0.00 N ATOM 520 CA ASN A 36 32.479 21.488 27.278 1.00 0.00 C ATOM 521 C ASN A 36 33.983 21.440 26.933 1.00 0.00 C ATOM 522 O ASN A 36 34.384 21.597 25.778 1.00 0.00 O ATOM 523 CB ASN A 36 31.895 20.066 27.417 1.00 0.00 C ATOM 524 CG ASN A 36 32.261 19.462 28.757 1.00 0.00 C ATOM 525 OD1 ASN A 36 31.694 19.842 29.773 1.00 0.00 O ATOM 526 ND2 ASN A 36 33.237 18.583 28.804 1.00 0.00 N ATOM 0 H ASN A 36 31.339 21.521 25.555 1.00 0.00 H new ATOM 0 HA ASN A 36 32.403 22.030 28.221 1.00 0.00 H new ATOM 0 HB2 ASN A 36 30.811 20.102 27.313 1.00 0.00 H new ATOM 0 HB3 ASN A 36 32.271 19.433 26.613 1.00 0.00 H new ATOM 0 HD21 ASN A 36 33.537 18.202 29.701 1.00 0.00 H new ATOM 0 HD22 ASN A 36 33.694 18.282 27.943 1.00 0.00 H new ATOM 533 N LEU A 37 34.820 21.194 27.944 1.00 0.00 N ATOM 534 CA LEU A 37 36.252 20.991 27.821 1.00 0.00 C ATOM 535 C LEU A 37 36.606 19.774 26.949 1.00 0.00 C ATOM 536 O LEU A 37 37.506 19.877 26.125 1.00 0.00 O ATOM 537 CB LEU A 37 36.772 20.840 29.245 1.00 0.00 C ATOM 538 CG LEU A 37 38.127 21.503 29.420 1.00 0.00 C ATOM 539 CD1 LEU A 37 37.905 22.988 29.607 1.00 0.00 C ATOM 540 CD2 LEU A 37 38.668 20.906 30.687 1.00 0.00 C ATOM 0 H LEU A 37 34.497 21.130 28.909 1.00 0.00 H new ATOM 0 HA LEU A 37 36.719 21.834 27.312 1.00 0.00 H new ATOM 0 HB2 LEU A 37 36.059 21.280 29.942 1.00 0.00 H new ATOM 0 HB3 LEU A 37 36.850 19.782 29.494 1.00 0.00 H new ATOM 0 HG LEU A 37 38.800 21.357 28.575 1.00 0.00 H new ATOM 0 HD11 LEU A 37 38.866 23.486 29.735 1.00 0.00 H new ATOM 0 HD12 LEU A 37 37.400 23.394 28.730 1.00 0.00 H new ATOM 0 HD13 LEU A 37 37.289 23.155 30.491 1.00 0.00 H new ATOM 0 HD21 LEU A 37 39.651 21.327 30.897 1.00 0.00 H new ATOM 0 HD22 LEU A 37 37.993 21.131 31.513 1.00 0.00 H new ATOM 0 HD23 LEU A 37 38.753 19.825 30.573 1.00 0.00 H new ATOM 552 N LEU A 38 35.894 18.650 27.145 1.00 0.00 N ATOM 553 CA LEU A 38 36.047 17.320 26.502 1.00 0.00 C ATOM 554 C LEU A 38 34.699 16.801 25.938 1.00 0.00 C ATOM 555 O LEU A 38 33.653 17.295 26.366 1.00 0.00 O ATOM 556 CB LEU A 38 36.594 16.290 27.535 1.00 0.00 C ATOM 557 CG LEU A 38 38.082 16.129 27.777 1.00 0.00 C ATOM 558 CD1 LEU A 38 38.713 15.483 26.577 1.00 0.00 C ATOM 559 CD2 LEU A 38 38.638 17.484 28.042 1.00 0.00 C ATOM 0 H LEU A 38 35.126 18.642 27.817 1.00 0.00 H new ATOM 0 HA LEU A 38 36.748 17.433 25.675 1.00 0.00 H new ATOM 0 HB2 LEU A 38 36.141 16.533 28.496 1.00 0.00 H new ATOM 0 HB3 LEU A 38 36.213 15.312 27.241 1.00 0.00 H new ATOM 0 HG LEU A 38 38.288 15.486 28.633 1.00 0.00 H new ATOM 0 HD11 LEU A 38 39.783 15.366 26.748 1.00 0.00 H new ATOM 0 HD12 LEU A 38 38.262 14.504 26.412 1.00 0.00 H new ATOM 0 HD13 LEU A 38 38.552 16.110 25.700 1.00 0.00 H new ATOM 0 HD21 LEU A 38 39.710 17.409 28.221 1.00 0.00 H new ATOM 0 HD22 LEU A 38 38.459 18.126 27.180 1.00 0.00 H new ATOM 0 HD23 LEU A 38 38.153 17.911 28.919 1.00 0.00 H new ATOM 571 N PRO A 39 34.703 15.807 25.026 1.00 0.00 N ATOM 572 CA PRO A 39 33.501 15.202 24.435 1.00 0.00 C ATOM 573 C PRO A 39 32.709 14.316 25.413 1.00 0.00 C ATOM 574 O PRO A 39 33.226 13.271 25.839 1.00 0.00 O ATOM 575 CB PRO A 39 34.011 14.403 23.227 1.00 0.00 C ATOM 576 CG PRO A 39 35.435 14.013 23.622 1.00 0.00 C ATOM 577 CD PRO A 39 35.896 15.219 24.437 1.00 0.00 C ATOM 0 HA PRO A 39 32.785 15.973 24.152 1.00 0.00 H new ATOM 0 HB2 PRO A 39 33.393 13.525 23.039 1.00 0.00 H new ATOM 0 HB3 PRO A 39 33.998 15.003 22.317 1.00 0.00 H new ATOM 0 HG2 PRO A 39 35.456 13.095 24.209 1.00 0.00 H new ATOM 0 HG3 PRO A 39 36.067 13.848 22.749 1.00 0.00 H new ATOM 0 HD2 PRO A 39 36.601 14.916 25.211 1.00 0.00 H new ATOM 0 HD3 PRO A 39 36.410 15.941 23.803 1.00 0.00 H new