USER MOD reduce.3.24.130724 H: found=0, std=0, add=263, rem=0, adj=11 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+ -161:sc= 1.04 (180deg=0) USER MOD Set 1.2: A 36 ASN : amide:sc= 0.168! K(o=1.2!,f=-2.2) USER MOD Single : A 7 SER OG : rot -68:sc= 1.25 USER MOD Single : A 8 SER OG : rot 20:sc= 1.18 USER MOD Single : A 9 ASN : amide:sc= -0.134 K(o=-0.13,f=-1.2) USER MOD Single : A 10 SER OG : rot 180:sc= 0.00543 USER MOD Single : A 16 THR OG1 : rot 34:sc= 0.713 USER MOD Single : A 18 CYS SG : rot 16:sc= -0.934 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot -90:sc= -1.47 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 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 120:sc=-0.00215 USER MOD Single : A 34 THR OG1 : rot -170:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 44 N GLU A 4 27.442 30.332 25.900 1.00 0.00 N ATOM 45 CA GLU A 4 26.391 30.143 24.876 1.00 0.00 C ATOM 46 C GLU A 4 26.118 28.673 24.442 1.00 0.00 C ATOM 47 O GLU A 4 26.884 27.759 24.761 1.00 0.00 O ATOM 48 CB GLU A 4 26.632 31.146 23.715 1.00 0.00 C ATOM 49 CG GLU A 4 25.973 32.505 24.029 1.00 0.00 C ATOM 50 CD GLU A 4 26.570 33.688 23.240 1.00 0.00 C ATOM 51 OE1 GLU A 4 27.652 34.179 23.641 1.00 0.00 O ATOM 52 OE2 GLU A 4 25.926 34.178 22.277 1.00 0.00 O ATOM 0 HA GLU A 4 25.433 30.380 25.340 1.00 0.00 H new ATOM 0 HB2 GLU A 4 27.702 31.281 23.560 1.00 0.00 H new ATOM 0 HB3 GLU A 4 26.224 30.743 22.788 1.00 0.00 H new ATOM 0 HG2 GLU A 4 24.907 32.439 23.813 1.00 0.00 H new ATOM 0 HG3 GLU A 4 26.070 32.707 25.096 1.00 0.00 H new ATOM 59 N PRO A 5 24.950 28.387 23.822 1.00 0.00 N ATOM 60 CA PRO A 5 24.620 27.052 23.310 1.00 0.00 C ATOM 61 C PRO A 5 25.324 26.781 21.973 1.00 0.00 C ATOM 62 O PRO A 5 25.470 27.678 21.141 1.00 0.00 O ATOM 63 CB PRO A 5 23.100 27.051 23.151 1.00 0.00 C ATOM 64 CG PRO A 5 22.786 28.506 22.803 1.00 0.00 C ATOM 65 CD PRO A 5 23.824 29.293 23.608 1.00 0.00 C ATOM 0 HA PRO A 5 24.955 26.263 23.984 1.00 0.00 H new ATOM 0 HB2 PRO A 5 22.778 26.370 22.364 1.00 0.00 H new ATOM 0 HB3 PRO A 5 22.599 26.739 24.067 1.00 0.00 H new ATOM 0 HG2 PRO A 5 22.880 28.693 21.733 1.00 0.00 H new ATOM 0 HG3 PRO A 5 21.769 28.777 23.085 1.00 0.00 H new ATOM 0 HD2 PRO A 5 24.140 30.185 23.068 1.00 0.00 H new ATOM 0 HD3 PRO A 5 23.407 29.627 24.558 1.00 0.00 H new ATOM 73 N CYS A 6 25.700 25.523 21.721 1.00 0.00 N ATOM 74 CA CYS A 6 26.490 25.156 20.530 1.00 0.00 C ATOM 75 C CYS A 6 25.769 24.247 19.519 1.00 0.00 C ATOM 76 O CYS A 6 24.823 23.526 19.843 1.00 0.00 O ATOM 77 CB CYS A 6 27.815 24.560 20.995 1.00 0.00 C ATOM 78 SG CYS A 6 27.681 22.949 21.826 1.00 0.00 S ATOM 0 H CYS A 6 25.471 24.735 22.326 1.00 0.00 H new ATOM 0 HA CYS A 6 26.659 26.071 19.962 1.00 0.00 H new ATOM 0 HB2 CYS A 6 28.471 24.453 20.131 1.00 0.00 H new ATOM 0 HB3 CYS A 6 28.295 25.264 21.675 1.00 0.00 H new ATOM 83 N SER A 7 26.279 24.264 18.286 1.00 0.00 N ATOM 84 CA SER A 7 25.817 23.501 17.123 1.00 0.00 C ATOM 85 C SER A 7 26.844 22.494 16.573 1.00 0.00 C ATOM 86 O SER A 7 26.466 21.524 15.914 1.00 0.00 O ATOM 87 CB SER A 7 25.442 24.490 16.018 1.00 0.00 C ATOM 88 OG SER A 7 26.574 25.238 15.620 1.00 0.00 O ATOM 0 H SER A 7 27.081 24.851 18.057 1.00 0.00 H new ATOM 0 HA SER A 7 24.965 22.908 17.454 1.00 0.00 H new ATOM 0 HB2 SER A 7 25.035 23.951 15.162 1.00 0.00 H new ATOM 0 HB3 SER A 7 24.661 25.162 16.373 1.00 0.00 H new ATOM 0 HG SER A 7 26.846 25.833 16.350 1.00 0.00 H new ATOM 94 N SER A 8 28.140 22.700 16.826 1.00 0.00 N ATOM 95 CA SER A 8 29.274 21.837 16.453 1.00 0.00 C ATOM 96 C SER A 8 30.543 22.287 17.207 1.00 0.00 C ATOM 97 O SER A 8 30.510 23.287 17.922 1.00 0.00 O ATOM 98 CB SER A 8 29.509 21.907 14.933 1.00 0.00 C ATOM 99 OG SER A 8 28.562 21.091 14.271 1.00 0.00 O ATOM 0 H SER A 8 28.450 23.530 17.331 1.00 0.00 H new ATOM 0 HA SER A 8 29.045 20.807 16.727 1.00 0.00 H new ATOM 0 HB2 SER A 8 29.422 22.937 14.588 1.00 0.00 H new ATOM 0 HB3 SER A 8 30.520 21.576 14.695 1.00 0.00 H new ATOM 0 HG SER A 8 27.796 20.933 14.862 1.00 0.00 H new ATOM 105 N ASN A 9 31.668 21.573 17.055 1.00 0.00 N ATOM 106 CA ASN A 9 32.956 21.906 17.687 1.00 0.00 C ATOM 107 C ASN A 9 33.394 23.371 17.489 1.00 0.00 C ATOM 108 O ASN A 9 33.634 24.075 18.467 1.00 0.00 O ATOM 109 CB ASN A 9 34.045 20.919 17.197 1.00 0.00 C ATOM 110 CG ASN A 9 34.098 20.714 15.688 1.00 0.00 C ATOM 111 OD1 ASN A 9 34.634 21.515 14.936 1.00 0.00 O ATOM 112 ND2 ASN A 9 33.522 19.650 15.183 1.00 0.00 N ATOM 0 H ASN A 9 31.710 20.732 16.479 1.00 0.00 H new ATOM 0 HA ASN A 9 32.817 21.799 18.763 1.00 0.00 H new ATOM 0 HB2 ASN A 9 35.017 21.278 17.534 1.00 0.00 H new ATOM 0 HB3 ASN A 9 33.879 19.953 17.674 1.00 0.00 H new ATOM 0 HD21 ASN A 9 33.525 19.499 14.174 1.00 0.00 H new ATOM 0 HD22 ASN A 9 33.071 18.973 15.799 1.00 0.00 H new ATOM 119 N SER A 10 33.491 23.810 16.234 1.00 0.00 N ATOM 120 CA SER A 10 33.981 25.107 15.757 1.00 0.00 C ATOM 121 C SER A 10 33.212 26.337 16.260 1.00 0.00 C ATOM 122 O SER A 10 33.727 27.451 16.193 1.00 0.00 O ATOM 123 CB SER A 10 34.000 25.054 14.227 1.00 0.00 C ATOM 124 OG SER A 10 32.716 24.711 13.719 1.00 0.00 O ATOM 0 H SER A 10 33.204 23.216 15.456 1.00 0.00 H new ATOM 0 HA SER A 10 34.977 25.250 16.176 1.00 0.00 H new ATOM 0 HB2 SER A 10 34.308 26.021 13.829 1.00 0.00 H new ATOM 0 HB3 SER A 10 34.736 24.323 13.893 1.00 0.00 H new ATOM 0 HG SER A 10 32.748 24.684 12.740 1.00 0.00 H new ATOM 130 N ASP A 11 32.019 26.144 16.819 1.00 0.00 N ATOM 131 CA ASP A 11 31.113 27.176 17.340 1.00 0.00 C ATOM 132 C ASP A 11 31.626 27.886 18.617 1.00 0.00 C ATOM 133 O ASP A 11 31.059 28.902 19.017 1.00 0.00 O ATOM 134 CB ASP A 11 29.774 26.466 17.639 1.00 0.00 C ATOM 135 CG ASP A 11 28.505 27.314 17.472 1.00 0.00 C ATOM 136 OD1 ASP A 11 28.553 28.496 17.071 1.00 0.00 O ATOM 137 OD2 ASP A 11 27.413 26.725 17.679 1.00 0.00 O ATOM 0 H ASP A 11 31.632 25.207 16.929 1.00 0.00 H new ATOM 0 HA ASP A 11 31.022 27.966 16.595 1.00 0.00 H new ATOM 0 HB2 ASP A 11 29.694 25.597 16.986 1.00 0.00 H new ATOM 0 HB3 ASP A 11 29.805 26.094 18.663 1.00 0.00 H new ATOM 142 N CYS A 12 32.722 27.414 19.236 1.00 0.00 N ATOM 143 CA CYS A 12 33.210 27.918 20.534 1.00 0.00 C ATOM 144 C CYS A 12 34.734 28.079 20.624 1.00 0.00 C ATOM 145 O CYS A 12 35.271 28.637 21.582 1.00 0.00 O ATOM 146 CB CYS A 12 32.756 26.894 21.578 1.00 0.00 C ATOM 147 SG CYS A 12 30.977 26.755 21.854 1.00 0.00 S ATOM 0 H CYS A 12 33.299 26.667 18.848 1.00 0.00 H new ATOM 0 HA CYS A 12 32.806 28.919 20.688 1.00 0.00 H new ATOM 0 HB2 CYS A 12 33.132 25.915 21.281 1.00 0.00 H new ATOM 0 HB3 CYS A 12 33.230 27.143 22.528 1.00 0.00 H new ATOM 152 N ILE A 13 35.442 27.565 19.626 1.00 0.00 N ATOM 153 CA ILE A 13 36.875 27.526 19.502 1.00 0.00 C ATOM 154 C ILE A 13 37.441 28.950 19.465 1.00 0.00 C ATOM 155 O ILE A 13 37.088 29.743 18.593 1.00 0.00 O ATOM 156 CB ILE A 13 37.165 26.804 18.188 1.00 0.00 C ATOM 157 CG1 ILE A 13 36.592 25.379 18.269 1.00 0.00 C ATOM 158 CG2 ILE A 13 38.657 26.729 18.025 1.00 0.00 C ATOM 159 CD1 ILE A 13 37.161 24.323 17.319 1.00 0.00 C ATOM 0 H ILE A 13 34.983 27.133 18.824 1.00 0.00 H new ATOM 0 HA ILE A 13 37.337 27.015 20.347 1.00 0.00 H new ATOM 0 HB ILE A 13 36.715 27.331 17.346 1.00 0.00 H new ATOM 0 HG12 ILE A 13 36.731 25.020 19.289 1.00 0.00 H new ATOM 0 HG13 ILE A 13 35.518 25.440 18.096 1.00 0.00 H new ATOM 0 HG21 ILE A 13 38.896 26.217 17.093 1.00 0.00 H new ATOM 0 HG22 ILE A 13 39.072 27.737 18.002 1.00 0.00 H new ATOM 0 HG23 ILE A 13 39.087 26.179 18.862 1.00 0.00 H new ATOM 0 HD11 ILE A 13 36.661 23.370 17.492 1.00 0.00 H new ATOM 0 HD12 ILE A 13 36.998 24.636 16.288 1.00 0.00 H new ATOM 0 HD13 ILE A 13 38.230 24.210 17.499 1.00 0.00 H new ATOM 171 N GLY A 14 38.366 29.234 20.373 1.00 0.00 N ATOM 172 CA GLY A 14 39.115 30.491 20.410 1.00 0.00 C ATOM 173 C GLY A 14 38.849 31.402 21.614 1.00 0.00 C ATOM 174 O GLY A 14 39.810 31.920 22.188 1.00 0.00 O ATOM 0 H GLY A 14 38.624 28.588 21.119 1.00 0.00 H new ATOM 0 HA2 GLY A 14 40.179 30.257 20.386 1.00 0.00 H new ATOM 0 HA3 GLY A 14 38.891 31.050 19.501 1.00 0.00 H new ATOM 178 N ILE A 15 37.591 31.546 22.065 1.00 0.00 N ATOM 179 CA ILE A 15 37.261 32.353 23.266 1.00 0.00 C ATOM 180 C ILE A 15 37.900 31.758 24.531 1.00 0.00 C ATOM 181 O ILE A 15 38.153 32.421 25.532 1.00 0.00 O ATOM 182 CB ILE A 15 35.751 32.676 23.365 1.00 0.00 C ATOM 183 CG1 ILE A 15 34.744 31.537 23.626 1.00 0.00 C ATOM 184 CG2 ILE A 15 35.331 33.303 22.030 1.00 0.00 C ATOM 185 CD1 ILE A 15 34.929 30.820 24.955 1.00 0.00 C ATOM 0 H ILE A 15 36.781 31.116 21.619 1.00 0.00 H new ATOM 0 HA ILE A 15 37.721 33.336 23.160 1.00 0.00 H new ATOM 0 HB ILE A 15 35.694 33.302 24.255 1.00 0.00 H new ATOM 0 HG12 ILE A 15 33.734 31.946 23.586 1.00 0.00 H new ATOM 0 HG13 ILE A 15 34.824 30.807 22.820 1.00 0.00 H new ATOM 0 HG21 ILE A 15 34.269 33.546 22.060 1.00 0.00 H new ATOM 0 HG22 ILE A 15 35.906 34.213 21.858 1.00 0.00 H new ATOM 0 HG23 ILE A 15 35.519 32.597 21.221 1.00 0.00 H new ATOM 0 HD11 ILE A 15 34.178 30.036 25.053 1.00 0.00 H new ATOM 0 HD12 ILE A 15 35.924 30.377 24.994 1.00 0.00 H new ATOM 0 HD13 ILE A 15 34.817 31.533 25.772 1.00 0.00 H new ATOM 197 N THR A 16 38.171 30.463 24.453 1.00 0.00 N ATOM 198 CA THR A 16 38.870 29.537 25.318 1.00 0.00 C ATOM 199 C THR A 16 39.133 28.309 24.421 1.00 0.00 C ATOM 200 O THR A 16 38.573 28.182 23.328 1.00 0.00 O ATOM 201 CB THR A 16 37.982 29.233 26.524 1.00 0.00 C ATOM 202 OG1 THR A 16 37.998 30.335 27.397 1.00 0.00 O ATOM 203 CG2 THR A 16 38.410 28.015 27.311 1.00 0.00 C ATOM 0 H THR A 16 37.842 29.957 23.630 1.00 0.00 H new ATOM 0 HA THR A 16 39.809 29.910 25.727 1.00 0.00 H new ATOM 0 HB THR A 16 36.988 29.032 26.124 1.00 0.00 H new ATOM 0 HG1 THR A 16 38.070 31.163 26.877 1.00 0.00 H new ATOM 0 HG21 THR A 16 37.730 27.866 28.150 1.00 0.00 H new ATOM 0 HG22 THR A 16 38.386 27.137 26.665 1.00 0.00 H new ATOM 0 HG23 THR A 16 39.423 28.162 27.686 1.00 0.00 H new ATOM 211 N LEU A 17 39.951 27.354 24.857 1.00 0.00 N ATOM 212 CA LEU A 17 40.190 26.072 24.172 1.00 0.00 C ATOM 213 C LEU A 17 38.944 25.133 24.196 1.00 0.00 C ATOM 214 O LEU A 17 39.067 23.924 24.018 1.00 0.00 O ATOM 215 CB LEU A 17 41.430 25.397 24.802 1.00 0.00 C ATOM 216 CG LEU A 17 42.656 26.283 25.035 1.00 0.00 C ATOM 217 CD1 LEU A 17 43.707 25.350 25.606 1.00 0.00 C ATOM 218 CD2 LEU A 17 43.144 26.896 23.731 1.00 0.00 C ATOM 0 H LEU A 17 40.485 27.447 25.721 1.00 0.00 H new ATOM 0 HA LEU A 17 40.379 26.272 23.117 1.00 0.00 H new ATOM 0 HB2 LEU A 17 41.134 24.969 25.760 1.00 0.00 H new ATOM 0 HB3 LEU A 17 41.728 24.568 24.161 1.00 0.00 H new ATOM 0 HG LEU A 17 42.432 27.116 25.702 1.00 0.00 H new ATOM 0 HD11 LEU A 17 44.622 25.909 25.802 1.00 0.00 H new ATOM 0 HD12 LEU A 17 43.341 24.915 26.536 1.00 0.00 H new ATOM 0 HD13 LEU A 17 43.914 24.554 24.891 1.00 0.00 H new ATOM 0 HD21 LEU A 17 44.016 27.520 23.926 1.00 0.00 H new ATOM 0 HD22 LEU A 17 43.415 26.102 23.035 1.00 0.00 H new ATOM 0 HD23 LEU A 17 42.351 27.505 23.296 1.00 0.00 H new ATOM 230 N CYS A 18 37.740 25.672 24.426 1.00 0.00 N ATOM 231 CA CYS A 18 36.473 24.965 24.606 1.00 0.00 C ATOM 232 C CYS A 18 35.832 24.543 23.271 1.00 0.00 C ATOM 233 O CYS A 18 34.885 25.142 22.783 1.00 0.00 O ATOM 234 CB CYS A 18 35.538 25.806 25.496 1.00 0.00 C ATOM 235 SG CYS A 18 34.975 27.434 24.955 1.00 0.00 S ATOM 0 H CYS A 18 37.621 26.683 24.495 1.00 0.00 H new ATOM 0 HA CYS A 18 36.668 24.024 25.120 1.00 0.00 H new ATOM 0 HB2 CYS A 18 34.649 25.205 25.686 1.00 0.00 H new ATOM 0 HB3 CYS A 18 36.041 25.942 26.453 1.00 0.00 H new ATOM 0 HG CYS A 18 35.181 27.562 23.678 1.00 0.00 H new ATOM 240 N GLN A 19 36.366 23.477 22.685 1.00 0.00 N ATOM 241 CA GLN A 19 35.949 22.923 21.393 1.00 0.00 C ATOM 242 C GLN A 19 35.026 21.690 21.496 1.00 0.00 C ATOM 243 O GLN A 19 34.656 21.098 20.484 1.00 0.00 O ATOM 244 CB GLN A 19 37.220 22.647 20.573 1.00 0.00 C ATOM 245 CG GLN A 19 38.189 21.669 21.222 1.00 0.00 C ATOM 246 CD GLN A 19 39.294 21.226 20.269 1.00 0.00 C ATOM 247 OE1 GLN A 19 39.297 20.127 19.743 1.00 0.00 O ATOM 248 NE2 GLN A 19 40.276 22.063 20.007 1.00 0.00 N ATOM 0 H GLN A 19 37.131 22.952 23.109 1.00 0.00 H new ATOM 0 HA GLN A 19 35.322 23.657 20.886 1.00 0.00 H new ATOM 0 HB2 GLN A 19 36.930 22.258 19.597 1.00 0.00 H new ATOM 0 HB3 GLN A 19 37.737 23.591 20.399 1.00 0.00 H new ATOM 0 HG2 GLN A 19 38.636 22.134 22.101 1.00 0.00 H new ATOM 0 HG3 GLN A 19 37.640 20.794 21.569 1.00 0.00 H new ATOM 0 HE21 GLN A 19 40.288 22.987 20.439 1.00 0.00 H new ATOM 0 HE22 GLN A 19 41.025 21.788 19.372 1.00 0.00 H new ATOM 257 N PHE A 20 34.622 21.310 22.710 1.00 0.00 N ATOM 258 CA PHE A 20 33.865 20.093 22.994 1.00 0.00 C ATOM 259 C PHE A 20 32.371 20.355 23.185 1.00 0.00 C ATOM 260 O PHE A 20 31.823 20.366 24.287 1.00 0.00 O ATOM 261 CB PHE A 20 34.483 19.341 24.169 1.00 0.00 C ATOM 262 CG PHE A 20 35.962 19.059 24.039 1.00 0.00 C ATOM 263 CD1 PHE A 20 36.897 20.094 24.173 1.00 0.00 C ATOM 264 CD2 PHE A 20 36.413 17.755 23.807 1.00 0.00 C ATOM 265 CE1 PHE A 20 38.274 19.826 24.067 1.00 0.00 C ATOM 266 CE2 PHE A 20 37.780 17.469 23.752 1.00 0.00 C ATOM 267 CZ PHE A 20 38.716 18.501 23.902 1.00 0.00 C ATOM 0 H PHE A 20 34.820 21.859 23.547 1.00 0.00 H new ATOM 0 HA PHE A 20 33.933 19.452 22.115 1.00 0.00 H new ATOM 0 HB2 PHE A 20 34.317 19.918 25.078 1.00 0.00 H new ATOM 0 HB3 PHE A 20 33.957 18.394 24.292 1.00 0.00 H new ATOM 0 HD1 PHE A 20 36.559 21.103 24.359 1.00 0.00 H new ATOM 0 HD2 PHE A 20 35.696 16.959 23.669 1.00 0.00 H new ATOM 0 HE1 PHE A 20 38.989 20.634 24.112 1.00 0.00 H new ATOM 0 HE2 PHE A 20 38.114 16.454 23.594 1.00 0.00 H new ATOM 0 HZ PHE A 20 39.773 18.280 23.891 1.00 0.00 H new ATOM 277 N CYS A 21 31.725 20.591 22.055 1.00 0.00 N ATOM 278 CA CYS A 21 30.271 20.744 21.963 1.00 0.00 C ATOM 279 C CYS A 21 29.598 19.392 22.286 1.00 0.00 C ATOM 280 O CYS A 21 29.574 18.499 21.441 1.00 0.00 O ATOM 281 CB CYS A 21 29.878 21.278 20.581 1.00 0.00 C ATOM 282 SG CYS A 21 28.091 21.557 20.396 1.00 0.00 S ATOM 0 H CYS A 21 32.199 20.684 21.157 1.00 0.00 H new ATOM 0 HA CYS A 21 29.923 21.475 22.692 1.00 0.00 H new ATOM 0 HB2 CYS A 21 30.405 22.214 20.398 1.00 0.00 H new ATOM 0 HB3 CYS A 21 30.209 20.572 19.819 1.00 0.00 H new ATOM 287 N LYS A 22 29.086 19.226 23.514 1.00 0.00 N ATOM 288 CA LYS A 22 28.517 17.974 24.049 1.00 0.00 C ATOM 289 C LYS A 22 27.096 18.175 24.602 1.00 0.00 C ATOM 290 O LYS A 22 26.757 19.239 25.126 1.00 0.00 O ATOM 291 CB LYS A 22 29.550 17.356 25.034 1.00 0.00 C ATOM 292 CG LYS A 22 29.294 17.525 26.535 1.00 0.00 C ATOM 293 CD LYS A 22 28.526 16.379 27.183 1.00 0.00 C ATOM 294 CE LYS A 22 29.346 15.101 27.372 1.00 0.00 C ATOM 295 NZ LYS A 22 28.562 14.104 28.146 1.00 0.00 N ATOM 0 H LYS A 22 29.054 19.988 24.191 1.00 0.00 H new ATOM 0 HA LYS A 22 28.359 17.242 23.257 1.00 0.00 H new ATOM 0 HB2 LYS A 22 29.617 16.289 24.824 1.00 0.00 H new ATOM 0 HB3 LYS A 22 30.526 17.787 24.810 1.00 0.00 H new ATOM 0 HG2 LYS A 22 30.252 17.635 27.043 1.00 0.00 H new ATOM 0 HG3 LYS A 22 28.741 18.451 26.693 1.00 0.00 H new ATOM 0 HD2 LYS A 22 28.157 16.707 28.155 1.00 0.00 H new ATOM 0 HD3 LYS A 22 27.653 16.150 26.572 1.00 0.00 H new ATOM 0 HE2 LYS A 22 29.619 14.687 26.401 1.00 0.00 H new ATOM 0 HE3 LYS A 22 30.275 15.329 27.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 29.126 13.239 28.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 28.323 14.498 29.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 27.687 13.876 27.632 1.00 0.00 H new ATOM 309 N GLU A 23 26.247 17.152 24.490 1.00 0.00 N ATOM 310 CA GLU A 23 24.888 17.166 25.042 1.00 0.00 C ATOM 311 C GLU A 23 24.841 16.640 26.484 1.00 0.00 C ATOM 312 O GLU A 23 25.298 15.535 26.787 1.00 0.00 O ATOM 313 CB GLU A 23 23.895 16.414 24.139 1.00 0.00 C ATOM 314 CG GLU A 23 22.603 17.189 24.021 1.00 0.00 C ATOM 315 CD GLU A 23 21.675 16.577 22.959 1.00 0.00 C ATOM 316 OE1 GLU A 23 21.970 16.765 21.755 1.00 0.00 O ATOM 317 OE2 GLU A 23 20.621 15.992 23.275 1.00 0.00 O ATOM 0 H GLU A 23 26.483 16.283 24.010 1.00 0.00 H new ATOM 0 HA GLU A 23 24.577 18.210 25.072 1.00 0.00 H new ATOM 0 HB2 GLU A 23 24.331 16.268 23.151 1.00 0.00 H new ATOM 0 HB3 GLU A 23 23.697 15.424 24.550 1.00 0.00 H new ATOM 0 HG2 GLU A 23 22.096 17.202 24.986 1.00 0.00 H new ATOM 0 HG3 GLU A 23 22.821 18.225 23.762 1.00 0.00 H new ATOM 324 N LYS A 24 24.332 17.481 27.382 1.00 0.00 N ATOM 325 CA LYS A 24 24.125 17.240 28.813 1.00 0.00 C ATOM 326 C LYS A 24 22.842 17.912 29.272 1.00 0.00 C ATOM 327 O LYS A 24 22.211 18.623 28.501 1.00 0.00 O ATOM 328 CB LYS A 24 25.350 17.752 29.587 1.00 0.00 C ATOM 329 CG LYS A 24 25.584 19.268 29.437 1.00 0.00 C ATOM 330 CD LYS A 24 26.618 19.843 30.417 1.00 0.00 C ATOM 331 CE LYS A 24 28.038 19.327 30.159 1.00 0.00 C ATOM 332 NZ LYS A 24 28.985 19.894 31.150 1.00 0.00 N ATOM 0 H LYS A 24 24.031 18.417 27.111 1.00 0.00 H new ATOM 0 HA LYS A 24 24.018 16.173 29.007 1.00 0.00 H new ATOM 0 HB2 LYS A 24 25.227 17.514 30.644 1.00 0.00 H new ATOM 0 HB3 LYS A 24 26.236 17.220 29.241 1.00 0.00 H new ATOM 0 HG2 LYS A 24 25.911 19.475 28.418 1.00 0.00 H new ATOM 0 HG3 LYS A 24 24.636 19.787 29.580 1.00 0.00 H new ATOM 0 HD2 LYS A 24 26.614 20.931 30.345 1.00 0.00 H new ATOM 0 HD3 LYS A 24 26.325 19.590 31.436 1.00 0.00 H new ATOM 0 HE2 LYS A 24 28.052 18.239 30.216 1.00 0.00 H new ATOM 0 HE3 LYS A 24 28.352 19.598 29.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 29.957 19.809 30.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 28.762 20.897 31.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 28.901 19.374 32.047 1.00 0.00 H new ATOM 346 N THR A 25 22.472 17.716 30.529 1.00 0.00 N ATOM 347 CA THR A 25 21.291 18.355 31.112 1.00 0.00 C ATOM 348 C THR A 25 21.591 19.058 32.417 1.00 0.00 C ATOM 349 O THR A 25 22.666 18.932 33.000 1.00 0.00 O ATOM 350 CB THR A 25 20.108 17.392 31.198 1.00 0.00 C ATOM 351 OG1 THR A 25 18.976 17.895 31.835 1.00 0.00 O ATOM 352 CG2 THR A 25 20.345 16.199 32.040 1.00 0.00 C ATOM 0 H THR A 25 22.978 17.111 31.176 1.00 0.00 H new ATOM 0 HA THR A 25 20.987 19.147 30.427 1.00 0.00 H new ATOM 0 HB THR A 25 19.975 17.189 30.135 1.00 0.00 H new ATOM 0 HG1 THR A 25 19.025 17.697 32.794 1.00 0.00 H new ATOM 0 HG21 THR A 25 19.453 15.573 32.043 1.00 0.00 H new ATOM 0 HG22 THR A 25 21.185 15.632 31.639 1.00 0.00 H new ATOM 0 HG23 THR A 25 20.572 16.512 33.059 1.00 0.00 H new ATOM 360 N ASP A 26 20.603 19.832 32.828 1.00 0.00 N ATOM 361 CA ASP A 26 20.508 20.540 34.086 1.00 0.00 C ATOM 362 C ASP A 26 19.984 19.554 35.157 1.00 0.00 C ATOM 363 O ASP A 26 19.924 18.334 34.962 1.00 0.00 O ATOM 364 CB ASP A 26 19.584 21.764 33.882 1.00 0.00 C ATOM 365 CG ASP A 26 18.134 21.419 33.543 1.00 0.00 C ATOM 366 OD1 ASP A 26 17.767 20.221 33.563 1.00 0.00 O ATOM 367 OD2 ASP A 26 17.389 22.385 33.284 1.00 0.00 O ATOM 0 H ASP A 26 19.783 19.992 32.243 1.00 0.00 H new ATOM 0 HA ASP A 26 21.473 20.912 34.429 1.00 0.00 H new ATOM 0 HB2 ASP A 26 19.597 22.368 34.790 1.00 0.00 H new ATOM 0 HB3 ASP A 26 19.993 22.382 33.082 1.00 0.00 H new ATOM 372 N GLN A 27 19.557 20.087 36.297 1.00 0.00 N ATOM 373 CA GLN A 27 18.983 19.287 37.387 1.00 0.00 C ATOM 374 C GLN A 27 17.507 18.872 37.184 1.00 0.00 C ATOM 375 O GLN A 27 16.948 18.170 38.023 1.00 0.00 O ATOM 376 CB GLN A 27 19.161 20.038 38.710 1.00 0.00 C ATOM 377 CG GLN A 27 18.288 21.297 38.816 1.00 0.00 C ATOM 378 CD GLN A 27 18.256 21.776 40.267 1.00 0.00 C ATOM 379 OE1 GLN A 27 19.153 22.458 40.750 1.00 0.00 O ATOM 380 NE2 GLN A 27 17.257 21.378 41.026 1.00 0.00 N ATOM 0 H GLN A 27 19.597 21.086 36.497 1.00 0.00 H new ATOM 0 HA GLN A 27 19.532 18.346 37.399 1.00 0.00 H new ATOM 0 HB2 GLN A 27 18.921 19.368 39.535 1.00 0.00 H new ATOM 0 HB3 GLN A 27 20.208 20.320 38.822 1.00 0.00 H new ATOM 0 HG2 GLN A 27 18.684 22.082 38.172 1.00 0.00 H new ATOM 0 HG3 GLN A 27 17.277 21.081 38.471 1.00 0.00 H new ATOM 0 HE21 GLN A 27 16.509 20.810 40.628 1.00 0.00 H new ATOM 0 HE22 GLN A 27 17.231 21.637 42.012 1.00 0.00 H new ATOM 389 N TYR A 28 16.860 19.337 36.117 1.00 0.00 N ATOM 390 CA TYR A 28 15.456 19.089 35.790 1.00 0.00 C ATOM 391 C TYR A 28 15.296 17.953 34.778 1.00 0.00 C ATOM 392 O TYR A 28 14.217 17.361 34.687 1.00 0.00 O ATOM 393 CB TYR A 28 14.890 20.371 35.169 1.00 0.00 C ATOM 394 CG TYR A 28 14.815 21.598 36.041 1.00 0.00 C ATOM 395 CD1 TYR A 28 14.581 21.528 37.427 1.00 0.00 C ATOM 396 CD2 TYR A 28 14.977 22.837 35.407 1.00 0.00 C ATOM 397 CE1 TYR A 28 14.498 22.714 38.181 1.00 0.00 C ATOM 398 CE2 TYR A 28 14.861 24.029 36.146 1.00 0.00 C ATOM 399 CZ TYR A 28 14.628 23.965 37.538 1.00 0.00 C ATOM 400 OH TYR A 28 14.504 25.108 38.262 1.00 0.00 O ATOM 0 H TYR A 28 17.322 19.925 35.423 1.00 0.00 H new ATOM 0 HA TYR A 28 14.931 18.804 36.702 1.00 0.00 H new ATOM 0 HB2 TYR A 28 15.495 20.616 34.296 1.00 0.00 H new ATOM 0 HB3 TYR A 28 13.884 20.154 34.809 1.00 0.00 H new ATOM 0 HD1 TYR A 28 14.466 20.569 37.910 1.00 0.00 H new ATOM 0 HD2 TYR A 28 15.191 22.877 34.349 1.00 0.00 H new ATOM 0 HE1 TYR A 28 14.335 22.667 39.248 1.00 0.00 H new ATOM 0 HE2 TYR A 28 14.949 24.986 35.653 1.00 0.00 H new ATOM 0 HH TYR A 28 14.621 25.883 37.673 1.00 0.00 H new ATOM 410 N GLY A 29 16.355 17.660 34.021 1.00 0.00 N ATOM 411 CA GLY A 29 16.342 16.682 32.935 1.00 0.00 C ATOM 412 C GLY A 29 16.205 17.309 31.541 1.00 0.00 C ATOM 413 O GLY A 29 16.024 16.573 30.565 1.00 0.00 O ATOM 0 H GLY A 29 17.263 18.106 34.150 1.00 0.00 H new ATOM 0 HA2 GLY A 29 17.262 16.099 32.972 1.00 0.00 H new ATOM 0 HA3 GLY A 29 15.517 15.987 33.094 1.00 0.00 H new ATOM 417 N LEU A 30 16.319 18.640 31.427 1.00 0.00 N ATOM 418 CA LEU A 30 16.319 19.366 30.158 1.00 0.00 C ATOM 419 C LEU A 30 17.682 19.229 29.520 1.00 0.00 C ATOM 420 O LEU A 30 18.666 19.843 29.916 1.00 0.00 O ATOM 421 CB LEU A 30 16.117 20.861 30.333 1.00 0.00 C ATOM 422 CG LEU A 30 14.697 21.317 30.604 1.00 0.00 C ATOM 423 CD1 LEU A 30 14.334 20.752 31.933 1.00 0.00 C ATOM 424 CD2 LEU A 30 14.794 22.808 30.772 1.00 0.00 C ATOM 0 H LEU A 30 16.416 19.252 32.237 1.00 0.00 H new ATOM 0 HA LEU A 30 15.506 18.946 29.565 1.00 0.00 H new ATOM 0 HB2 LEU A 30 16.748 21.198 31.155 1.00 0.00 H new ATOM 0 HB3 LEU A 30 16.472 21.362 29.433 1.00 0.00 H new ATOM 0 HG LEU A 30 13.987 21.025 29.830 1.00 0.00 H new ATOM 0 HD11 LEU A 30 13.316 21.046 32.188 1.00 0.00 H new ATOM 0 HD12 LEU A 30 14.399 19.665 31.896 1.00 0.00 H new ATOM 0 HD13 LEU A 30 15.021 21.131 32.689 1.00 0.00 H new ATOM 0 HD21 LEU A 30 13.804 23.217 30.972 1.00 0.00 H new ATOM 0 HD22 LEU A 30 15.457 23.038 31.606 1.00 0.00 H new ATOM 0 HD23 LEU A 30 15.192 23.252 29.860 1.00 0.00 H new ATOM 436 N THR A 31 17.728 18.421 28.496 1.00 0.00 N ATOM 437 CA THR A 31 18.935 18.176 27.747 1.00 0.00 C ATOM 438 C THR A 31 19.175 19.303 26.735 1.00 0.00 C ATOM 439 O THR A 31 18.271 19.711 26.005 1.00 0.00 O ATOM 440 CB THR A 31 18.856 16.811 27.079 1.00 0.00 C ATOM 441 OG1 THR A 31 18.727 15.796 28.055 1.00 0.00 O ATOM 442 CG2 THR A 31 20.167 16.657 26.349 1.00 0.00 C ATOM 0 H THR A 31 16.918 17.906 28.152 1.00 0.00 H new ATOM 0 HA THR A 31 19.790 18.167 28.423 1.00 0.00 H new ATOM 0 HB THR A 31 17.998 16.731 26.412 1.00 0.00 H new ATOM 0 HG1 THR A 31 18.675 14.923 27.614 1.00 0.00 H new ATOM 0 HG21 THR A 31 20.189 15.694 25.839 1.00 0.00 H new ATOM 0 HG22 THR A 31 20.272 17.458 25.617 1.00 0.00 H new ATOM 0 HG23 THR A 31 20.989 16.708 27.063 1.00 0.00 H new ATOM 450 N TYR A 32 20.416 19.774 26.661 1.00 0.00 N ATOM 451 CA TYR A 32 20.870 20.876 25.829 1.00 0.00 C ATOM 452 C TYR A 32 22.313 20.653 25.316 1.00 0.00 C ATOM 453 O TYR A 32 23.093 19.884 25.880 1.00 0.00 O ATOM 454 CB TYR A 32 20.682 22.174 26.642 1.00 0.00 C ATOM 455 CG TYR A 32 21.071 22.089 28.108 1.00 0.00 C ATOM 456 CD1 TYR A 32 22.419 21.906 28.419 1.00 0.00 C ATOM 457 CD2 TYR A 32 20.133 22.137 29.153 1.00 0.00 C ATOM 458 CE1 TYR A 32 22.855 22.021 29.750 1.00 0.00 C ATOM 459 CE2 TYR A 32 20.520 22.099 30.494 1.00 0.00 C ATOM 460 CZ TYR A 32 21.902 22.135 30.797 1.00 0.00 C ATOM 461 OH TYR A 32 22.339 22.240 32.075 1.00 0.00 O ATOM 0 H TYR A 32 21.173 19.371 27.213 1.00 0.00 H new ATOM 0 HA TYR A 32 20.278 20.949 24.917 1.00 0.00 H new ATOM 0 HB2 TYR A 32 21.269 22.964 26.173 1.00 0.00 H new ATOM 0 HB3 TYR A 32 19.636 22.474 26.578 1.00 0.00 H new ATOM 0 HD1 TYR A 32 23.127 21.676 27.637 1.00 0.00 H new ATOM 0 HD2 TYR A 32 19.082 22.205 28.912 1.00 0.00 H new ATOM 0 HE1 TYR A 32 23.911 22.023 29.976 1.00 0.00 H new ATOM 0 HE2 TYR A 32 19.783 22.043 31.281 1.00 0.00 H new ATOM 0 HH TYR A 32 22.025 23.085 32.460 1.00 0.00 H new ATOM 471 N ARG A 33 22.687 21.339 24.229 1.00 0.00 N ATOM 472 CA ARG A 33 24.014 21.294 23.587 1.00 0.00 C ATOM 473 C ARG A 33 24.898 22.422 24.091 1.00 0.00 C ATOM 474 O ARG A 33 24.580 23.595 23.906 1.00 0.00 O ATOM 475 CB ARG A 33 23.912 21.395 22.056 1.00 0.00 C ATOM 476 CG ARG A 33 23.251 20.192 21.415 1.00 0.00 C ATOM 477 CD ARG A 33 21.772 20.468 21.105 1.00 0.00 C ATOM 478 NE ARG A 33 21.103 19.191 20.896 1.00 0.00 N ATOM 479 CZ ARG A 33 19.823 18.886 20.833 1.00 0.00 C ATOM 480 NH1 ARG A 33 18.882 19.773 20.695 1.00 0.00 N ATOM 481 NH2 ARG A 33 19.463 17.649 20.933 1.00 0.00 N ATOM 0 H ARG A 33 22.046 21.970 23.748 1.00 0.00 H new ATOM 0 HA ARG A 33 24.455 20.332 23.849 1.00 0.00 H new ATOM 0 HB2 ARG A 33 23.349 22.291 21.795 1.00 0.00 H new ATOM 0 HB3 ARG A 33 24.912 21.515 21.640 1.00 0.00 H new ATOM 0 HG2 ARG A 33 23.776 19.933 20.495 1.00 0.00 H new ATOM 0 HG3 ARG A 33 23.331 19.332 22.081 1.00 0.00 H new ATOM 0 HD2 ARG A 33 21.306 21.011 21.928 1.00 0.00 H new ATOM 0 HD3 ARG A 33 21.680 21.094 20.218 1.00 0.00 H new ATOM 0 HE ARG A 33 21.733 18.398 20.778 1.00 0.00 H new ATOM 0 HH11 ARG A 33 19.120 20.763 20.630 1.00 0.00 H new ATOM 0 HH12 ARG A 33 17.906 19.479 20.652 1.00 0.00 H new ATOM 0 HH21 ARG A 33 20.167 16.922 21.059 1.00 0.00 H new ATOM 0 HH22 ARG A 33 18.475 17.400 20.886 1.00 0.00 H new ATOM 495 N THR A 34 25.997 22.059 24.742 1.00 0.00 N ATOM 496 CA THR A 34 26.900 23.021 25.401 1.00 0.00 C ATOM 497 C THR A 34 28.374 22.721 25.191 1.00 0.00 C ATOM 498 O THR A 34 28.791 21.568 25.107 1.00 0.00 O ATOM 499 CB THR A 34 26.606 23.102 26.906 1.00 0.00 C ATOM 500 OG1 THR A 34 26.647 21.828 27.507 1.00 0.00 O ATOM 501 CG2 THR A 34 25.231 23.718 27.144 1.00 0.00 C ATOM 0 H THR A 34 26.296 21.088 24.833 1.00 0.00 H new ATOM 0 HA THR A 34 26.699 23.981 24.925 1.00 0.00 H new ATOM 0 HB THR A 34 27.377 23.728 27.356 1.00 0.00 H new ATOM 0 HG1 THR A 34 26.304 21.887 28.423 1.00 0.00 H new ATOM 0 HG21 THR A 34 25.036 23.769 28.215 1.00 0.00 H new ATOM 0 HG22 THR A 34 25.204 24.723 26.722 1.00 0.00 H new ATOM 0 HG23 THR A 34 24.469 23.103 26.665 1.00 0.00 H new ATOM 509 N CYS A 35 29.177 23.779 25.128 1.00 0.00 N ATOM 510 CA CYS A 35 30.630 23.675 24.965 1.00 0.00 C ATOM 511 C CYS A 35 31.327 23.356 26.293 1.00 0.00 C ATOM 512 O CYS A 35 31.797 24.232 27.021 1.00 0.00 O ATOM 513 CB CYS A 35 31.173 24.911 24.252 1.00 0.00 C ATOM 514 SG CYS A 35 30.810 24.836 22.487 1.00 0.00 S ATOM 0 H CYS A 35 28.840 24.740 25.189 1.00 0.00 H new ATOM 0 HA CYS A 35 30.859 22.826 24.321 1.00 0.00 H new ATOM 0 HB2 CYS A 35 30.730 25.809 24.682 1.00 0.00 H new ATOM 0 HB3 CYS A 35 32.250 24.982 24.405 1.00 0.00 H new ATOM 519 N ASN A 36 31.361 22.061 26.593 1.00 0.00 N ATOM 520 CA ASN A 36 32.043 21.456 27.728 1.00 0.00 C ATOM 521 C ASN A 36 33.577 21.524 27.554 1.00 0.00 C ATOM 522 O ASN A 36 34.105 21.912 26.510 1.00 0.00 O ATOM 523 CB ASN A 36 31.563 19.985 27.806 1.00 0.00 C ATOM 524 CG ASN A 36 31.964 19.270 29.094 1.00 0.00 C ATOM 525 OD1 ASN A 36 31.693 19.736 30.190 1.00 0.00 O ATOM 526 ND2 ASN A 36 32.639 18.144 29.023 1.00 0.00 N ATOM 0 H ASN A 36 30.885 21.368 26.016 1.00 0.00 H new ATOM 0 HA ASN A 36 31.809 21.991 28.648 1.00 0.00 H new ATOM 0 HB2 ASN A 36 30.477 19.962 27.712 1.00 0.00 H new ATOM 0 HB3 ASN A 36 31.968 19.436 26.956 1.00 0.00 H new ATOM 0 HD21 ASN A 36 32.930 17.669 29.878 1.00 0.00 H new ATOM 0 HD22 ASN A 36 32.871 17.745 28.113 1.00 0.00 H new ATOM 533 N LEU A 37 34.310 21.141 28.601 1.00 0.00 N ATOM 534 CA LEU A 37 35.758 21.002 28.561 1.00 0.00 C ATOM 535 C LEU A 37 36.195 19.709 27.837 1.00 0.00 C ATOM 536 O LEU A 37 37.350 19.622 27.435 1.00 0.00 O ATOM 537 CB LEU A 37 36.258 21.024 30.002 1.00 0.00 C ATOM 538 CG LEU A 37 36.805 22.388 30.399 1.00 0.00 C ATOM 539 CD1 LEU A 37 35.638 23.313 30.656 1.00 0.00 C ATOM 540 CD2 LEU A 37 37.548 22.141 31.688 1.00 0.00 C ATOM 0 H LEU A 37 33.905 20.917 29.510 1.00 0.00 H new ATOM 0 HA LEU A 37 36.193 21.824 27.992 1.00 0.00 H new ATOM 0 HB2 LEU A 37 35.442 20.752 30.672 1.00 0.00 H new ATOM 0 HB3 LEU A 37 37.037 20.272 30.126 1.00 0.00 H new ATOM 0 HG LEU A 37 37.443 22.835 29.636 1.00 0.00 H new ATOM 0 HD11 LEU A 37 36.010 24.297 30.942 1.00 0.00 H new ATOM 0 HD12 LEU A 37 35.037 23.401 29.751 1.00 0.00 H new ATOM 0 HD13 LEU A 37 35.024 22.909 31.461 1.00 0.00 H new ATOM 0 HD21 LEU A 37 37.976 23.077 32.046 1.00 0.00 H new ATOM 0 HD22 LEU A 37 36.859 21.748 32.436 1.00 0.00 H new ATOM 0 HD23 LEU A 37 38.346 21.419 31.515 1.00 0.00 H new ATOM 552 N LEU A 38 35.283 18.731 27.684 1.00 0.00 N ATOM 553 CA LEU A 38 35.516 17.386 27.136 1.00 0.00 C ATOM 554 C LEU A 38 34.331 16.806 26.333 1.00 0.00 C ATOM 555 O LEU A 38 33.238 17.372 26.420 1.00 0.00 O ATOM 556 CB LEU A 38 35.928 16.468 28.297 1.00 0.00 C ATOM 557 CG LEU A 38 37.409 16.536 28.635 1.00 0.00 C ATOM 558 CD1 LEU A 38 37.598 15.815 29.965 1.00 0.00 C ATOM 559 CD2 LEU A 38 38.161 15.863 27.505 1.00 0.00 C ATOM 0 H LEU A 38 34.309 18.868 27.955 1.00 0.00 H new ATOM 0 HA LEU A 38 36.314 17.457 26.397 1.00 0.00 H new ATOM 0 HB2 LEU A 38 35.350 16.735 29.182 1.00 0.00 H new ATOM 0 HB3 LEU A 38 35.669 15.440 28.045 1.00 0.00 H new ATOM 0 HG LEU A 38 37.784 17.555 28.736 1.00 0.00 H new ATOM 0 HD11 LEU A 38 38.651 15.840 30.246 1.00 0.00 H new ATOM 0 HD12 LEU A 38 37.005 16.309 30.734 1.00 0.00 H new ATOM 0 HD13 LEU A 38 37.273 14.779 29.867 1.00 0.00 H new ATOM 0 HD21 LEU A 38 39.231 15.892 27.712 1.00 0.00 H new ATOM 0 HD22 LEU A 38 37.836 14.826 27.418 1.00 0.00 H new ATOM 0 HD23 LEU A 38 37.958 16.386 26.571 1.00 0.00 H new ATOM 571 N PRO A 39 34.527 15.711 25.561 1.00 0.00 N ATOM 572 CA PRO A 39 33.511 15.183 24.636 1.00 0.00 C ATOM 573 C PRO A 39 32.316 14.428 25.254 1.00 0.00 C ATOM 574 O PRO A 39 31.528 13.860 24.459 1.00 0.00 O ATOM 575 CB PRO A 39 34.325 14.318 23.657 1.00 0.00 C ATOM 576 CG PRO A 39 35.420 13.723 24.527 1.00 0.00 C ATOM 577 CD PRO A 39 35.750 14.914 25.418 1.00 0.00 C ATOM 0 HA PRO A 39 32.980 16.011 24.166 1.00 0.00 H new ATOM 0 HB2 PRO A 39 33.710 13.542 23.201 1.00 0.00 H new ATOM 0 HB3 PRO A 39 34.739 14.915 22.844 1.00 0.00 H new ATOM 0 HG2 PRO A 39 35.073 12.862 25.098 1.00 0.00 H new ATOM 0 HG3 PRO A 39 36.279 13.392 23.943 1.00 0.00 H new ATOM 0 HD2 PRO A 39 36.104 14.577 26.392 1.00 0.00 H new ATOM 0 HD3 PRO A 39 36.548 15.512 24.978 1.00 0.00 H new