USER MOD reduce.3.24.130724 H: found=0, std=0, add=324, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 321 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 4 SER OG : rot 180:sc= 0.028 USER MOD Set 1.2: A 7 HIS :FLIP no HD1:sc= -0.255 F(o=-1,f=-0.23) USER MOD Single : A 1 ILE N :NH3+ -159:sc= -0.173 (180deg=-0.674) USER MOD Single : A 3 SER OG : rot 180:sc= 0.0101 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 20.249 -5.448 -5.983 1.00 0.00 N ATOM 2 CA ILE A 1 19.738 -5.877 -4.666 1.00 0.00 C ATOM 3 C ILE A 1 19.235 -4.598 -3.998 1.00 0.00 C ATOM 4 O ILE A 1 19.965 -3.611 -4.068 1.00 0.00 O ATOM 5 CB ILE A 1 20.834 -6.588 -3.829 1.00 0.00 C ATOM 6 CG1 ILE A 1 21.411 -7.801 -4.602 1.00 0.00 C ATOM 7 CG2 ILE A 1 20.291 -7.053 -2.464 1.00 0.00 C ATOM 8 CD1 ILE A 1 22.602 -8.477 -3.911 1.00 0.00 C ATOM 0 H1 ILE A 1 20.278 -6.264 -6.627 1.00 0.00 H new ATOM 0 H2 ILE A 1 19.622 -4.718 -6.377 1.00 0.00 H new ATOM 0 H3 ILE A 1 21.208 -5.060 -5.874 1.00 0.00 H new ATOM 0 HA ILE A 1 18.941 -6.615 -4.759 1.00 0.00 H new ATOM 0 HB ILE A 1 21.629 -5.863 -3.653 1.00 0.00 H new ATOM 0 HG12 ILE A 1 20.620 -8.538 -4.742 1.00 0.00 H new ATOM 0 HG13 ILE A 1 21.720 -7.472 -5.594 1.00 0.00 H new ATOM 0 HG21 ILE A 1 21.086 -7.547 -1.905 1.00 0.00 H new ATOM 0 HG22 ILE A 1 19.934 -6.190 -1.902 1.00 0.00 H new ATOM 0 HG23 ILE A 1 19.469 -7.751 -2.618 1.00 0.00 H new ATOM 0 HD11 ILE A 1 22.946 -9.316 -4.516 1.00 0.00 H new ATOM 0 HD12 ILE A 1 23.412 -7.757 -3.795 1.00 0.00 H new ATOM 0 HD13 ILE A 1 22.296 -8.839 -2.930 1.00 0.00 H new ATOM 20 N PRO A 2 18.028 -4.568 -3.412 1.00 0.00 N ATOM 21 CA PRO A 2 17.468 -3.385 -2.757 1.00 0.00 C ATOM 22 C PRO A 2 18.117 -3.129 -1.379 1.00 0.00 C ATOM 23 O PRO A 2 17.410 -2.875 -0.411 1.00 0.00 O ATOM 24 CB PRO A 2 15.964 -3.696 -2.674 1.00 0.00 C ATOM 25 CG PRO A 2 15.940 -5.204 -2.440 1.00 0.00 C ATOM 26 CD PRO A 2 17.104 -5.692 -3.301 1.00 0.00 C ATOM 0 HA PRO A 2 17.659 -2.461 -3.302 1.00 0.00 H new ATOM 0 HB2 PRO A 2 15.484 -3.153 -1.860 1.00 0.00 H new ATOM 0 HB3 PRO A 2 15.443 -3.421 -3.591 1.00 0.00 H new ATOM 0 HG2 PRO A 2 16.081 -5.454 -1.388 1.00 0.00 H new ATOM 0 HG3 PRO A 2 14.993 -5.647 -2.749 1.00 0.00 H new ATOM 0 HD2 PRO A 2 17.592 -6.553 -2.844 1.00 0.00 H new ATOM 0 HD3 PRO A 2 16.755 -6.008 -4.284 1.00 0.00 H new ATOM 34 N SER A 3 19.445 -3.197 -1.275 1.00 0.00 N ATOM 35 CA SER A 3 20.201 -3.007 -0.042 1.00 0.00 C ATOM 36 C SER A 3 20.035 -1.615 0.580 1.00 0.00 C ATOM 37 O SER A 3 19.944 -1.496 1.799 1.00 0.00 O ATOM 38 CB SER A 3 21.686 -3.276 -0.331 1.00 0.00 C ATOM 39 OG SER A 3 21.858 -4.397 -1.190 1.00 0.00 O ATOM 0 H SER A 3 20.043 -3.393 -2.078 1.00 0.00 H new ATOM 0 HA SER A 3 19.804 -3.710 0.691 1.00 0.00 H new ATOM 0 HB2 SER A 3 22.134 -2.394 -0.789 1.00 0.00 H new ATOM 0 HB3 SER A 3 22.214 -3.451 0.607 1.00 0.00 H new ATOM 0 HG SER A 3 22.814 -4.539 -1.355 1.00 0.00 H new ATOM 45 N SER A 4 19.990 -0.559 -0.237 1.00 0.00 N ATOM 46 CA SER A 4 19.857 0.811 0.239 1.00 0.00 C ATOM 47 C SER A 4 18.548 0.963 1.034 1.00 0.00 C ATOM 48 O SER A 4 17.494 0.541 0.542 1.00 0.00 O ATOM 49 CB SER A 4 19.929 1.774 -0.955 1.00 0.00 C ATOM 50 OG SER A 4 20.846 1.295 -1.926 1.00 0.00 O ATOM 0 H SER A 4 20.046 -0.636 -1.253 1.00 0.00 H new ATOM 0 HA SER A 4 20.676 1.058 0.915 1.00 0.00 H new ATOM 0 HB2 SER A 4 18.941 1.883 -1.402 1.00 0.00 H new ATOM 0 HB3 SER A 4 20.235 2.763 -0.614 1.00 0.00 H new ATOM 0 HG SER A 4 20.879 1.919 -2.681 1.00 0.00 H new ATOM 56 N PRO A 5 18.550 1.627 2.207 1.00 0.00 N ATOM 57 CA PRO A 5 17.350 1.787 3.026 1.00 0.00 C ATOM 58 C PRO A 5 16.204 2.492 2.298 1.00 0.00 C ATOM 59 O PRO A 5 15.039 2.263 2.628 1.00 0.00 O ATOM 60 CB PRO A 5 17.794 2.513 4.301 1.00 0.00 C ATOM 61 CG PRO A 5 19.122 3.162 3.918 1.00 0.00 C ATOM 62 CD PRO A 5 19.703 2.189 2.895 1.00 0.00 C ATOM 0 HA PRO A 5 16.923 0.813 3.267 1.00 0.00 H new ATOM 0 HB2 PRO A 5 17.061 3.258 4.611 1.00 0.00 H new ATOM 0 HB3 PRO A 5 17.915 1.819 5.133 1.00 0.00 H new ATOM 0 HG2 PRO A 5 18.977 4.155 3.492 1.00 0.00 H new ATOM 0 HG3 PRO A 5 19.777 3.278 4.781 1.00 0.00 H new ATOM 0 HD2 PRO A 5 20.367 2.700 2.198 1.00 0.00 H new ATOM 0 HD3 PRO A 5 20.290 1.410 3.381 1.00 0.00 H new ATOM 70 N VAL A 6 16.492 3.319 1.291 1.00 0.00 N ATOM 71 CA VAL A 6 15.456 4.006 0.530 1.00 0.00 C ATOM 72 C VAL A 6 14.573 2.976 -0.192 1.00 0.00 C ATOM 73 O VAL A 6 13.373 3.203 -0.334 1.00 0.00 O ATOM 74 CB VAL A 6 16.079 5.047 -0.425 1.00 0.00 C ATOM 75 CG1 VAL A 6 16.689 6.202 0.383 1.00 0.00 C ATOM 76 CG2 VAL A 6 17.165 4.467 -1.351 1.00 0.00 C ATOM 0 H VAL A 6 17.442 3.528 0.985 1.00 0.00 H new ATOM 0 HA VAL A 6 14.810 4.565 1.207 1.00 0.00 H new ATOM 0 HB VAL A 6 15.264 5.396 -1.059 1.00 0.00 H new ATOM 0 HG11 VAL A 6 17.126 6.932 -0.299 1.00 0.00 H new ATOM 0 HG12 VAL A 6 15.911 6.681 0.977 1.00 0.00 H new ATOM 0 HG13 VAL A 6 17.463 5.814 1.045 1.00 0.00 H new ATOM 0 HG21 VAL A 6 17.556 5.257 -1.992 1.00 0.00 H new ATOM 0 HG22 VAL A 6 17.974 4.055 -0.749 1.00 0.00 H new ATOM 0 HG23 VAL A 6 16.734 3.679 -1.968 1.00 0.00 H new ATOM 86 N HIS A 7 15.122 1.835 -0.630 1.00 0.00 N ATOM 87 CA HIS A 7 14.345 0.797 -1.299 1.00 0.00 C ATOM 88 C HIS A 7 13.457 0.128 -0.247 1.00 0.00 C ATOM 89 O HIS A 7 12.290 -0.147 -0.516 1.00 0.00 O ATOM 90 CB HIS A 7 15.264 -0.238 -1.954 1.00 0.00 C ATOM 91 CG HIS A 7 16.268 0.338 -2.919 1.00 0.00 C ATOM 92 ND1 HIS A 7 17.620 0.176 -2.827 1.00 0.00 N flip ATOM 93 CD2 HIS A 7 16.013 1.102 -4.039 1.00 0.00 C flip ATOM 94 CE1 HIS A 7 18.204 0.866 -3.888 1.00 0.00 C flip ATOM 95 NE2 HIS A 7 17.200 1.403 -4.598 1.00 0.00 N flip ATOM 0 H HIS A 7 16.112 1.612 -0.529 1.00 0.00 H new ATOM 0 HA HIS A 7 13.737 1.239 -2.089 1.00 0.00 H new ATOM 0 HB2 HIS A 7 15.799 -0.777 -1.172 1.00 0.00 H new ATOM 0 HB3 HIS A 7 14.650 -0.968 -2.481 1.00 0.00 H new ATOM 0 HD2 HIS A 7 15.041 1.403 -4.400 1.00 0.00 H new ATOM 0 HE1 HIS A 7 19.260 0.952 -4.098 1.00 0.00 H new ATOM 0 HE2 HIS A 7 17.320 1.961 -5.443 1.00 0.00 H new ATOM 103 N LEU A 8 13.977 -0.115 0.965 1.00 0.00 N ATOM 104 CA LEU A 8 13.197 -0.719 2.046 1.00 0.00 C ATOM 105 C LEU A 8 12.010 0.207 2.322 1.00 0.00 C ATOM 106 O LEU A 8 10.880 -0.269 2.454 1.00 0.00 O ATOM 107 CB LEU A 8 14.032 -0.933 3.326 1.00 0.00 C ATOM 108 CG LEU A 8 14.822 -2.254 3.366 1.00 0.00 C ATOM 109 CD1 LEU A 8 15.883 -2.346 2.271 1.00 0.00 C ATOM 110 CD2 LEU A 8 15.492 -2.406 4.735 1.00 0.00 C ATOM 0 H LEU A 8 14.941 0.101 1.218 1.00 0.00 H new ATOM 0 HA LEU A 8 12.861 -1.710 1.740 1.00 0.00 H new ATOM 0 HB2 LEU A 8 14.732 -0.104 3.430 1.00 0.00 H new ATOM 0 HB3 LEU A 8 13.366 -0.898 4.188 1.00 0.00 H new ATOM 0 HG LEU A 8 14.108 -3.059 3.192 1.00 0.00 H new ATOM 0 HD11 LEU A 8 16.406 -3.299 2.351 1.00 0.00 H new ATOM 0 HD12 LEU A 8 15.405 -2.275 1.294 1.00 0.00 H new ATOM 0 HD13 LEU A 8 16.596 -1.530 2.386 1.00 0.00 H new ATOM 0 HD21 LEU A 8 16.052 -3.341 4.764 1.00 0.00 H new ATOM 0 HD22 LEU A 8 16.172 -1.571 4.902 1.00 0.00 H new ATOM 0 HD23 LEU A 8 14.730 -2.415 5.514 1.00 0.00 H new ATOM 122 N LYS A 9 12.255 1.522 2.375 1.00 0.00 N ATOM 123 CA LYS A 9 11.244 2.548 2.603 1.00 0.00 C ATOM 124 C LYS A 9 10.229 2.507 1.463 1.00 0.00 C ATOM 125 O LYS A 9 9.034 2.487 1.730 1.00 0.00 O ATOM 126 CB LYS A 9 11.931 3.929 2.697 1.00 0.00 C ATOM 127 CG LYS A 9 11.120 5.010 3.433 1.00 0.00 C ATOM 128 CD LYS A 9 11.387 4.975 4.946 1.00 0.00 C ATOM 129 CE LYS A 9 10.742 6.143 5.717 1.00 0.00 C ATOM 130 NZ LYS A 9 9.259 6.113 5.735 1.00 0.00 N ATOM 0 H LYS A 9 13.192 1.907 2.256 1.00 0.00 H new ATOM 0 HA LYS A 9 10.718 2.366 3.540 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.889 3.808 3.202 1.00 0.00 H new ATOM 0 HB3 LYS A 9 12.145 4.281 1.688 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.378 5.993 3.039 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.057 4.861 3.246 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.013 4.034 5.350 1.00 0.00 H new ATOM 0 HD3 LYS A 9 12.464 4.990 5.116 1.00 0.00 H new ATOM 0 HE2 LYS A 9 11.107 6.132 6.744 1.00 0.00 H new ATOM 0 HE3 LYS A 9 11.070 7.083 5.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 8.902 6.929 6.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 8.899 6.155 4.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 8.935 5.234 6.186 1.00 0.00 H new ATOM 144 N ARG A 10 10.684 2.463 0.208 1.00 0.00 N ATOM 145 CA ARG A 10 9.847 2.410 -0.989 1.00 0.00 C ATOM 146 C ARG A 10 8.938 1.188 -0.977 1.00 0.00 C ATOM 147 O ARG A 10 7.813 1.296 -1.464 1.00 0.00 O ATOM 148 CB ARG A 10 10.765 2.400 -2.227 1.00 0.00 C ATOM 149 CG ARG A 10 10.050 2.341 -3.585 1.00 0.00 C ATOM 150 CD ARG A 10 9.293 3.634 -3.914 1.00 0.00 C ATOM 151 NE ARG A 10 7.837 3.413 -4.050 1.00 0.00 N ATOM 152 CZ ARG A 10 6.979 4.139 -4.788 1.00 0.00 C ATOM 153 NH1 ARG A 10 7.401 5.196 -5.482 1.00 0.00 N ATOM 154 NH2 ARG A 10 5.689 3.808 -4.824 1.00 0.00 N ATOM 0 H ARG A 10 11.681 2.463 -0.008 1.00 0.00 H new ATOM 0 HA ARG A 10 9.199 3.286 -1.016 1.00 0.00 H new ATOM 0 HB2 ARG A 10 11.387 3.295 -2.203 1.00 0.00 H new ATOM 0 HB3 ARG A 10 11.436 1.544 -2.153 1.00 0.00 H new ATOM 0 HG2 ARG A 10 10.782 2.145 -4.368 1.00 0.00 H new ATOM 0 HG3 ARG A 10 9.350 1.505 -3.586 1.00 0.00 H new ATOM 0 HD2 ARG A 10 9.475 4.369 -3.130 1.00 0.00 H new ATOM 0 HD3 ARG A 10 9.683 4.055 -4.841 1.00 0.00 H new ATOM 0 HE ARG A 10 7.443 2.629 -3.530 1.00 0.00 H new ATOM 0 HH11 ARG A 10 8.385 5.463 -5.457 1.00 0.00 H new ATOM 0 HH12 ARG A 10 6.740 5.738 -6.038 1.00 0.00 H new ATOM 0 HH21 ARG A 10 5.354 3.005 -4.292 1.00 0.00 H new ATOM 0 HH22 ARG A 10 5.037 4.358 -5.383 1.00 0.00 H new ATOM 168 N LEU A 11 9.409 0.047 -0.466 1.00 0.00 N ATOM 169 CA LEU A 11 8.637 -1.184 -0.406 1.00 0.00 C ATOM 170 C LEU A 11 7.598 -1.016 0.682 1.00 0.00 C ATOM 171 O LEU A 11 6.431 -1.302 0.454 1.00 0.00 O ATOM 172 CB LEU A 11 9.547 -2.395 -0.130 1.00 0.00 C ATOM 173 CG LEU A 11 10.372 -2.829 -1.359 1.00 0.00 C ATOM 174 CD1 LEU A 11 11.514 -3.750 -0.914 1.00 0.00 C ATOM 175 CD2 LEU A 11 9.506 -3.556 -2.396 1.00 0.00 C ATOM 0 H LEU A 11 10.349 -0.042 -0.079 1.00 0.00 H new ATOM 0 HA LEU A 11 8.151 -1.375 -1.363 1.00 0.00 H new ATOM 0 HB2 LEU A 11 10.226 -2.152 0.688 1.00 0.00 H new ATOM 0 HB3 LEU A 11 8.934 -3.233 0.202 1.00 0.00 H new ATOM 0 HG LEU A 11 10.774 -1.929 -1.825 1.00 0.00 H new ATOM 0 HD11 LEU A 11 12.095 -4.055 -1.784 1.00 0.00 H new ATOM 0 HD12 LEU A 11 12.159 -3.218 -0.215 1.00 0.00 H new ATOM 0 HD13 LEU A 11 11.100 -4.633 -0.426 1.00 0.00 H new ATOM 0 HD21 LEU A 11 10.123 -3.846 -3.247 1.00 0.00 H new ATOM 0 HD22 LEU A 11 9.069 -4.447 -1.945 1.00 0.00 H new ATOM 0 HD23 LEU A 11 8.710 -2.893 -2.734 1.00 0.00 H new ATOM 187 N LYS A 12 8.002 -0.546 1.867 1.00 0.00 N ATOM 188 CA LYS A 12 7.039 -0.349 2.952 1.00 0.00 C ATOM 189 C LYS A 12 5.974 0.676 2.550 1.00 0.00 C ATOM 190 O LYS A 12 4.816 0.500 2.905 1.00 0.00 O ATOM 191 CB LYS A 12 7.763 -0.015 4.267 1.00 0.00 C ATOM 192 CG LYS A 12 7.755 -1.213 5.236 1.00 0.00 C ATOM 193 CD LYS A 12 8.408 -2.501 4.698 1.00 0.00 C ATOM 194 CE LYS A 12 9.940 -2.437 4.701 1.00 0.00 C ATOM 195 NZ LYS A 12 10.537 -3.643 4.083 1.00 0.00 N ATOM 0 H LYS A 12 8.965 -0.300 2.095 1.00 0.00 H new ATOM 0 HA LYS A 12 6.502 -1.280 3.136 1.00 0.00 H new ATOM 0 HB2 LYS A 12 8.792 0.275 4.054 1.00 0.00 H new ATOM 0 HB3 LYS A 12 7.282 0.841 4.741 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.268 -0.921 6.152 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.722 -1.434 5.505 1.00 0.00 H new ATOM 0 HD2 LYS A 12 8.083 -3.348 5.303 1.00 0.00 H new ATOM 0 HD3 LYS A 12 8.059 -2.683 3.682 1.00 0.00 H new ATOM 0 HE2 LYS A 12 10.269 -1.550 4.160 1.00 0.00 H new ATOM 0 HE3 LYS A 12 10.299 -2.337 5.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.574 -3.566 4.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 10.243 -4.487 4.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 10.214 -3.724 3.098 1.00 0.00 H new ATOM 209 N LEU A 13 6.342 1.713 1.795 1.00 0.00 N ATOM 210 CA LEU A 13 5.410 2.731 1.325 1.00 0.00 C ATOM 211 C LEU A 13 4.425 2.076 0.358 1.00 0.00 C ATOM 212 O LEU A 13 3.236 2.349 0.431 1.00 0.00 O ATOM 213 CB LEU A 13 6.178 3.880 0.647 1.00 0.00 C ATOM 214 CG LEU A 13 5.271 4.931 -0.028 1.00 0.00 C ATOM 215 CD1 LEU A 13 4.343 5.634 0.969 1.00 0.00 C ATOM 216 CD2 LEU A 13 6.152 5.972 -0.728 1.00 0.00 C ATOM 0 H LEU A 13 7.304 1.868 1.492 1.00 0.00 H new ATOM 0 HA LEU A 13 4.859 3.156 2.164 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.800 4.377 1.392 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.851 3.461 -0.102 1.00 0.00 H new ATOM 0 HG LEU A 13 4.637 4.411 -0.746 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.727 6.363 0.442 1.00 0.00 H new ATOM 0 HD12 LEU A 13 3.700 4.897 1.450 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.940 6.143 1.725 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.520 6.719 -1.208 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.795 6.458 0.006 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.768 5.480 -1.481 1.00 0.00 H new ATOM 228 N LEU A 14 4.918 1.235 -0.558 1.00 0.00 N ATOM 229 CA LEU A 14 4.086 0.532 -1.529 1.00 0.00 C ATOM 230 C LEU A 14 3.078 -0.345 -0.786 1.00 0.00 C ATOM 231 O LEU A 14 1.900 -0.324 -1.121 1.00 0.00 O ATOM 232 CB LEU A 14 4.998 -0.247 -2.491 1.00 0.00 C ATOM 233 CG LEU A 14 4.265 -0.911 -3.673 1.00 0.00 C ATOM 234 CD1 LEU A 14 5.237 -0.989 -4.858 1.00 0.00 C ATOM 235 CD2 LEU A 14 3.780 -2.328 -3.345 1.00 0.00 C ATOM 0 H LEU A 14 5.912 1.025 -0.643 1.00 0.00 H new ATOM 0 HA LEU A 14 3.503 1.224 -2.137 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.754 0.433 -2.885 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.525 -1.018 -1.928 1.00 0.00 H new ATOM 0 HG LEU A 14 3.387 -0.308 -3.904 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.739 -1.456 -5.707 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.557 0.016 -5.133 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.107 -1.582 -4.577 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.271 -2.748 -4.212 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.634 -2.954 -3.087 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.090 -2.290 -2.502 1.00 0.00 H new ATOM 247 N LEU A 15 3.534 -1.078 0.236 1.00 0.00 N ATOM 248 CA LEU A 15 2.691 -1.948 1.055 1.00 0.00 C ATOM 249 C LEU A 15 1.583 -1.124 1.708 1.00 0.00 C ATOM 250 O LEU A 15 0.414 -1.483 1.620 1.00 0.00 O ATOM 251 CB LEU A 15 3.540 -2.656 2.130 1.00 0.00 C ATOM 252 CG LEU A 15 3.855 -4.115 1.776 1.00 0.00 C ATOM 253 CD1 LEU A 15 4.692 -4.264 0.498 1.00 0.00 C ATOM 254 CD2 LEU A 15 4.605 -4.776 2.939 1.00 0.00 C ATOM 0 H LEU A 15 4.514 -1.082 0.519 1.00 0.00 H new ATOM 0 HA LEU A 15 2.238 -2.709 0.419 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.474 -2.111 2.266 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.011 -2.624 3.083 1.00 0.00 H new ATOM 0 HG LEU A 15 2.898 -4.604 1.595 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.878 -5.321 0.306 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.151 -3.832 -0.344 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.642 -3.745 0.623 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.828 -5.812 2.686 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.536 -4.239 3.124 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.985 -4.747 3.835 1.00 0.00 H new ATOM 266 N LEU A 16 1.962 -0.018 2.352 1.00 0.00 N ATOM 267 CA LEU A 16 1.034 0.891 3.019 1.00 0.00 C ATOM 268 C LEU A 16 -0.008 1.396 2.025 1.00 0.00 C ATOM 269 O LEU A 16 -1.190 1.414 2.350 1.00 0.00 O ATOM 270 CB LEU A 16 1.814 2.038 3.688 1.00 0.00 C ATOM 271 CG LEU A 16 0.919 3.044 4.449 1.00 0.00 C ATOM 272 CD1 LEU A 16 1.709 3.633 5.627 1.00 0.00 C ATOM 273 CD2 LEU A 16 0.450 4.218 3.574 1.00 0.00 C ATOM 0 H LEU A 16 2.937 0.273 2.424 1.00 0.00 H new ATOM 0 HA LEU A 16 0.497 0.361 3.806 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.539 1.614 4.383 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.379 2.574 2.925 1.00 0.00 H new ATOM 0 HG LEU A 16 0.040 2.490 4.777 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.082 4.343 6.167 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.011 2.831 6.300 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.595 4.144 5.251 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.174 4.887 4.167 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.317 4.764 3.203 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.127 3.836 2.731 1.00 0.00 H new ATOM 285 N LEU A 17 0.412 1.797 0.822 1.00 0.00 N ATOM 286 CA LEU A 17 -0.488 2.289 -0.207 1.00 0.00 C ATOM 287 C LEU A 17 -1.469 1.199 -0.624 1.00 0.00 C ATOM 288 O LEU A 17 -2.648 1.499 -0.768 1.00 0.00 O ATOM 289 CB LEU A 17 0.282 2.841 -1.417 1.00 0.00 C ATOM 290 CG LEU A 17 0.946 4.205 -1.149 1.00 0.00 C ATOM 291 CD1 LEU A 17 1.970 4.505 -2.252 1.00 0.00 C ATOM 292 CD2 LEU A 17 -0.078 5.345 -1.089 1.00 0.00 C ATOM 0 H LEU A 17 1.392 1.787 0.540 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.057 3.118 0.214 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.049 2.123 -1.709 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.402 2.938 -2.260 1.00 0.00 H new ATOM 0 HG LEU A 17 1.437 4.144 -0.178 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.439 5.470 -2.061 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.733 3.727 -2.261 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.467 4.531 -3.218 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.437 6.287 -0.898 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.609 5.408 -2.039 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.791 5.152 -0.287 1.00 0.00 H new ATOM 304 N LEU A 18 -1.015 -0.046 -0.810 1.00 0.00 N ATOM 305 CA LEU A 18 -1.897 -1.143 -1.185 1.00 0.00 C ATOM 306 C LEU A 18 -2.954 -1.325 -0.097 1.00 0.00 C ATOM 307 O LEU A 18 -4.130 -1.471 -0.413 1.00 0.00 O ATOM 308 CB LEU A 18 -1.132 -2.460 -1.408 1.00 0.00 C ATOM 309 CG LEU A 18 -0.310 -2.526 -2.708 1.00 0.00 C ATOM 310 CD1 LEU A 18 0.502 -3.828 -2.718 1.00 0.00 C ATOM 311 CD2 LEU A 18 -1.186 -2.477 -3.966 1.00 0.00 C ATOM 0 H LEU A 18 -0.036 -0.314 -0.705 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.369 -0.888 -2.134 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.461 -2.620 -0.564 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.847 -3.282 -1.407 1.00 0.00 H new ATOM 0 HG LEU A 18 0.341 -1.652 -2.728 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.088 -3.884 -3.635 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.171 -3.846 -1.858 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.176 -4.680 -2.668 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.553 -2.527 -4.852 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.874 -3.322 -3.963 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.754 -1.547 -3.978 1.00 0.00 H new ATOM 323 N LEU A 19 -2.540 -1.308 1.175 1.00 0.00 N ATOM 324 CA LEU A 19 -3.444 -1.449 2.312 1.00 0.00 C ATOM 325 C LEU A 19 -4.452 -0.300 2.326 1.00 0.00 C ATOM 326 O LEU A 19 -5.633 -0.534 2.569 1.00 0.00 O ATOM 327 CB LEU A 19 -2.651 -1.572 3.608 1.00 0.00 C ATOM 328 CG LEU A 19 -3.517 -1.757 4.876 1.00 0.00 C ATOM 329 CD1 LEU A 19 -2.744 -2.595 5.905 1.00 0.00 C ATOM 330 CD2 LEU A 19 -3.897 -0.428 5.548 1.00 0.00 C ATOM 0 H LEU A 19 -1.562 -1.195 1.441 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.020 -2.369 2.216 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.969 -2.418 3.523 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.038 -0.679 3.730 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.434 -2.250 4.553 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.353 -2.726 6.799 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.511 -3.571 5.478 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.818 -2.084 6.169 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.504 -0.627 6.431 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.992 0.103 5.842 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.465 0.184 4.848 1.00 0.00 H new ATOM 342 N LEU A 20 -4.000 0.931 2.060 1.00 0.00 N ATOM 343 CA LEU A 20 -4.854 2.112 2.030 1.00 0.00 C ATOM 344 C LEU A 20 -5.910 1.947 0.941 1.00 0.00 C ATOM 345 O LEU A 20 -7.087 2.165 1.204 1.00 0.00 O ATOM 346 CB LEU A 20 -3.986 3.370 1.841 1.00 0.00 C ATOM 347 CG LEU A 20 -4.768 4.701 1.901 1.00 0.00 C ATOM 348 CD1 LEU A 20 -3.816 5.817 2.356 1.00 0.00 C ATOM 349 CD2 LEU A 20 -5.366 5.122 0.549 1.00 0.00 C ATOM 0 H LEU A 20 -3.020 1.132 1.858 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.384 2.230 2.975 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.213 3.382 2.610 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.478 3.305 0.879 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.592 4.546 2.597 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.358 6.762 2.402 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.420 5.578 3.343 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.993 5.905 1.647 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.901 6.065 0.665 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.565 5.247 -0.180 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.056 4.354 0.201 1.00 0.00 H new ATOM 361 N ILE A 21 -5.504 1.562 -0.271 1.00 0.00 N ATOM 362 CA ILE A 21 -6.406 1.359 -1.402 1.00 0.00 C ATOM 363 C ILE A 21 -7.400 0.242 -1.060 1.00 0.00 C ATOM 364 O ILE A 21 -8.587 0.392 -1.338 1.00 0.00 O ATOM 365 CB ILE A 21 -5.578 1.087 -2.683 1.00 0.00 C ATOM 366 CG1 ILE A 21 -4.795 2.360 -3.092 1.00 0.00 C ATOM 367 CG2 ILE A 21 -6.462 0.630 -3.859 1.00 0.00 C ATOM 368 CD1 ILE A 21 -3.630 2.078 -4.050 1.00 0.00 C ATOM 0 H ILE A 21 -4.526 1.381 -0.495 1.00 0.00 H new ATOM 0 HA ILE A 21 -6.996 2.254 -1.601 1.00 0.00 H new ATOM 0 HB ILE A 21 -4.883 0.280 -2.452 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -5.481 3.064 -3.563 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -4.409 2.844 -2.195 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -5.838 0.451 -4.735 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -6.980 -0.290 -3.589 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -7.194 1.405 -4.087 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -3.126 3.013 -4.295 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -2.923 1.399 -3.573 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -4.012 1.622 -4.963 1.00 0.00 H new ATOM 380 N LEU A 22 -6.947 -0.856 -0.445 1.00 0.00 N ATOM 381 CA LEU A 22 -7.815 -1.967 -0.063 1.00 0.00 C ATOM 382 C LEU A 22 -8.892 -1.467 0.891 1.00 0.00 C ATOM 383 O LEU A 22 -10.070 -1.744 0.690 1.00 0.00 O ATOM 384 CB LEU A 22 -6.988 -3.083 0.593 1.00 0.00 C ATOM 385 CG LEU A 22 -7.824 -4.307 1.024 1.00 0.00 C ATOM 386 CD1 LEU A 22 -8.552 -4.975 -0.149 1.00 0.00 C ATOM 387 CD2 LEU A 22 -6.901 -5.333 1.692 1.00 0.00 C ATOM 0 H LEU A 22 -5.967 -0.996 -0.199 1.00 0.00 H new ATOM 0 HA LEU A 22 -8.294 -2.375 -0.954 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -6.217 -3.409 -0.105 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.477 -2.678 1.466 1.00 0.00 H new ATOM 0 HG LEU A 22 -8.586 -3.952 1.717 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.123 -5.829 0.216 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -9.229 -4.258 -0.613 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -7.822 -5.314 -0.885 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.484 -6.201 2.000 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.132 -5.644 0.986 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.430 -4.884 2.566 1.00 0.00 H new ATOM 399 N LEU A 23 -8.479 -0.735 1.926 1.00 0.00 N ATOM 400 CA LEU A 23 -9.363 -0.162 2.931 1.00 0.00 C ATOM 401 C LEU A 23 -10.365 0.792 2.270 1.00 0.00 C ATOM 402 O LEU A 23 -11.533 0.797 2.646 1.00 0.00 O ATOM 403 CB LEU A 23 -8.506 0.531 4.003 1.00 0.00 C ATOM 404 CG LEU A 23 -9.325 1.281 5.067 1.00 0.00 C ATOM 405 CD1 LEU A 23 -10.249 0.352 5.866 1.00 0.00 C ATOM 406 CD2 LEU A 23 -8.369 1.991 6.034 1.00 0.00 C ATOM 0 H LEU A 23 -7.495 -0.521 2.089 1.00 0.00 H new ATOM 0 HA LEU A 23 -9.949 -0.941 3.418 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.885 -0.216 4.497 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.831 1.235 3.516 1.00 0.00 H new ATOM 0 HG LEU A 23 -9.956 1.999 4.544 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -10.803 0.935 6.602 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -10.950 -0.135 5.188 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -9.652 -0.404 6.376 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.946 2.524 6.790 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.728 1.254 6.519 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.753 2.700 5.481 1.00 0.00 H new ATOM 418 N LEU A 24 -9.918 1.580 1.286 1.00 0.00 N ATOM 419 CA LEU A 24 -10.743 2.529 0.542 1.00 0.00 C ATOM 420 C LEU A 24 -11.855 1.753 -0.163 1.00 0.00 C ATOM 421 O LEU A 24 -13.033 2.075 -0.015 1.00 0.00 O ATOM 422 CB LEU A 24 -9.854 3.300 -0.457 1.00 0.00 C ATOM 423 CG LEU A 24 -10.391 4.672 -0.895 1.00 0.00 C ATOM 424 CD1 LEU A 24 -9.315 5.378 -1.731 1.00 0.00 C ATOM 425 CD2 LEU A 24 -11.684 4.606 -1.718 1.00 0.00 C ATOM 0 H LEU A 24 -8.945 1.572 0.979 1.00 0.00 H new ATOM 0 HA LEU A 24 -11.202 3.260 1.208 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.870 3.440 -0.009 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.715 2.683 -1.345 1.00 0.00 H new ATOM 0 HG LEU A 24 -10.629 5.217 0.018 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -9.683 6.354 -2.049 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -8.415 5.508 -1.130 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.082 4.775 -2.608 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -11.996 5.615 -1.987 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -11.509 4.026 -2.624 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -12.467 4.129 -1.128 1.00 0.00 H new ATOM 437 N ILE A 25 -11.482 0.713 -0.914 1.00 0.00 N ATOM 438 CA ILE A 25 -12.425 -0.130 -1.644 1.00 0.00 C ATOM 439 C ILE A 25 -13.361 -0.831 -0.663 1.00 0.00 C ATOM 440 O ILE A 25 -14.536 -1.008 -0.978 1.00 0.00 O ATOM 441 CB ILE A 25 -11.666 -1.091 -2.593 1.00 0.00 C ATOM 442 CG1 ILE A 25 -10.917 -0.289 -3.687 1.00 0.00 C ATOM 443 CG2 ILE A 25 -12.607 -2.114 -3.258 1.00 0.00 C ATOM 444 CD1 ILE A 25 -9.847 -1.106 -4.422 1.00 0.00 C ATOM 0 H ILE A 25 -10.508 0.433 -1.032 1.00 0.00 H new ATOM 0 HA ILE A 25 -13.059 0.480 -2.287 1.00 0.00 H new ATOM 0 HB ILE A 25 -10.949 -1.641 -1.983 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -11.640 0.083 -4.413 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -10.447 0.582 -3.230 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -12.030 -2.766 -3.914 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -13.095 -2.713 -2.489 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -13.362 -1.588 -3.842 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -9.364 -0.481 -5.173 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -9.102 -1.456 -3.708 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -10.314 -1.963 -4.909 1.00 0.00 H new ATOM 456 N LEU A 26 -12.898 -1.170 0.543 1.00 0.00 N ATOM 457 CA LEU A 26 -13.741 -1.808 1.549 1.00 0.00 C ATOM 458 C LEU A 26 -14.890 -0.869 1.953 1.00 0.00 C ATOM 459 O LEU A 26 -15.834 -1.315 2.598 1.00 0.00 O ATOM 460 CB LEU A 26 -12.906 -2.228 2.778 1.00 0.00 C ATOM 461 CG LEU A 26 -13.073 -3.700 3.203 1.00 0.00 C ATOM 462 CD1 LEU A 26 -14.516 -4.073 3.558 1.00 0.00 C ATOM 463 CD2 LEU A 26 -12.516 -4.661 2.143 1.00 0.00 C ATOM 0 H LEU A 26 -11.937 -1.010 0.845 1.00 0.00 H new ATOM 0 HA LEU A 26 -14.173 -2.711 1.119 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -11.853 -2.044 2.564 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -13.177 -1.589 3.619 1.00 0.00 H new ATOM 0 HG LEU A 26 -12.488 -3.807 4.116 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -14.560 -5.123 3.848 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -14.859 -3.453 4.387 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -15.158 -3.909 2.692 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -12.651 -5.690 2.477 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -13.047 -4.512 1.202 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -11.454 -4.464 1.996 1.00 0.00 H new ATOM 475 N GLY A 27 -14.811 0.425 1.613 1.00 0.00 N ATOM 476 CA GLY A 27 -15.842 1.405 1.916 1.00 0.00 C ATOM 477 C GLY A 27 -16.934 1.326 0.854 1.00 0.00 C ATOM 478 O GLY A 27 -18.110 1.474 1.174 1.00 0.00 O ATOM 0 H GLY A 27 -14.014 0.818 1.112 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -16.263 1.215 2.903 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -15.413 2.407 1.940 1.00 0.00 H new ATOM 482 N ALA A 28 -16.545 1.126 -0.410 1.00 0.00 N ATOM 483 CA ALA A 28 -17.469 0.995 -1.528 1.00 0.00 C ATOM 484 C ALA A 28 -18.192 -0.348 -1.380 1.00 0.00 C ATOM 485 O ALA A 28 -19.422 -0.402 -1.409 1.00 0.00 O ATOM 486 CB ALA A 28 -16.699 1.089 -2.849 1.00 0.00 C ATOM 0 H ALA A 28 -15.565 1.050 -0.683 1.00 0.00 H new ATOM 0 HA ALA A 28 -18.206 1.798 -1.530 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -17.394 0.991 -3.683 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -16.195 2.054 -2.909 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -15.959 0.290 -2.897 1.00 0.00 H new ATOM 492 N LEU A 29 -17.430 -1.405 -1.071 1.00 0.00 N ATOM 493 CA LEU A 29 -17.933 -2.760 -0.876 1.00 0.00 C ATOM 494 C LEU A 29 -18.959 -2.805 0.262 1.00 0.00 C ATOM 495 O LEU A 29 -19.840 -3.660 0.257 1.00 0.00 O ATOM 496 CB LEU A 29 -16.743 -3.694 -0.605 1.00 0.00 C ATOM 497 CG LEU A 29 -17.116 -5.182 -0.449 1.00 0.00 C ATOM 498 CD1 LEU A 29 -17.797 -5.754 -1.699 1.00 0.00 C ATOM 499 CD2 LEU A 29 -15.842 -5.989 -0.162 1.00 0.00 C ATOM 0 H LEU A 29 -16.420 -1.333 -0.948 1.00 0.00 H new ATOM 0 HA LEU A 29 -18.449 -3.095 -1.776 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -16.028 -3.596 -1.422 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -16.238 -3.363 0.302 1.00 0.00 H new ATOM 0 HG LEU A 29 -17.826 -5.257 0.375 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -18.038 -6.804 -1.534 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -18.713 -5.199 -1.900 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -17.125 -5.666 -2.552 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -16.096 -7.043 -0.050 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -15.142 -5.870 -0.989 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -15.382 -5.627 0.757 1.00 0.00 H new ATOM 511 N LEU A 30 -18.857 -1.884 1.229 1.00 0.00 N ATOM 512 CA LEU A 30 -19.765 -1.776 2.369 1.00 0.00 C ATOM 513 C LEU A 30 -21.183 -1.436 1.884 1.00 0.00 C ATOM 514 O LEU A 30 -22.159 -1.796 2.537 1.00 0.00 O ATOM 515 CB LEU A 30 -19.243 -0.692 3.338 1.00 0.00 C ATOM 516 CG LEU A 30 -19.318 -1.022 4.839 1.00 0.00 C ATOM 517 CD1 LEU A 30 -20.740 -1.288 5.342 1.00 0.00 C ATOM 518 CD2 LEU A 30 -18.401 -2.192 5.220 1.00 0.00 C ATOM 0 H LEU A 30 -18.121 -1.178 1.237 1.00 0.00 H new ATOM 0 HA LEU A 30 -19.806 -2.730 2.895 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -18.204 -0.481 3.086 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -19.806 0.224 3.161 1.00 0.00 H new ATOM 0 HG LEU A 30 -18.965 -0.119 5.338 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -20.713 -1.513 6.408 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -21.357 -0.405 5.174 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -21.164 -2.135 4.803 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -18.487 -2.389 6.289 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -18.695 -3.081 4.662 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -17.368 -1.938 4.980 1.00 0.00 H new ATOM 530 N LEU A 31 -21.291 -0.700 0.773 1.00 0.00 N ATOM 531 CA LEU A 31 -22.550 -0.301 0.151 1.00 0.00 C ATOM 532 C LEU A 31 -22.937 -1.316 -0.932 1.00 0.00 C ATOM 533 O LEU A 31 -24.126 -1.529 -1.161 1.00 0.00 O ATOM 534 CB LEU A 31 -22.393 1.112 -0.441 1.00 0.00 C ATOM 535 CG LEU A 31 -23.647 1.656 -1.156 1.00 0.00 C ATOM 536 CD1 LEU A 31 -24.854 1.777 -0.214 1.00 0.00 C ATOM 537 CD2 LEU A 31 -23.333 3.042 -1.735 1.00 0.00 C ATOM 0 H LEU A 31 -20.474 -0.356 0.268 1.00 0.00 H new ATOM 0 HA LEU A 31 -23.347 -0.281 0.894 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -22.122 1.799 0.361 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -21.563 1.105 -1.148 1.00 0.00 H new ATOM 0 HG LEU A 31 -23.908 0.948 -1.943 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -25.710 2.164 -0.767 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -25.098 0.795 0.192 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -24.612 2.457 0.602 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -24.215 3.433 -2.242 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -23.049 3.718 -0.928 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -22.511 2.961 -2.447 1.00 0.00 H new ATOM 549 N GLY A 32 -21.948 -1.963 -1.555 1.00 0.00 N ATOM 550 CA GLY A 32 -22.122 -2.959 -2.601 1.00 0.00 C ATOM 551 C GLY A 32 -21.696 -2.416 -3.961 1.00 0.00 C ATOM 552 O GLY A 32 -22.477 -2.483 -4.910 1.00 0.00 O ATOM 0 H GLY A 32 -20.967 -1.796 -1.331 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -21.536 -3.846 -2.362 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -23.167 -3.268 -2.642 1.00 0.00 H new ATOM 556 N LEU A 33 -20.495 -1.838 -4.048 1.00 0.00 N ATOM 557 CA LEU A 33 -19.904 -1.270 -5.253 1.00 0.00 C ATOM 558 C LEU A 33 -18.421 -1.600 -5.222 1.00 0.00 C ATOM 559 O LEU A 33 -17.862 -1.835 -6.310 1.00 0.00 O ATOM 560 CB LEU A 33 -20.178 0.244 -5.296 1.00 0.00 C ATOM 561 CG LEU A 33 -19.662 0.911 -6.588 1.00 0.00 C ATOM 562 CD1 LEU A 33 -20.619 2.037 -7.002 1.00 0.00 C ATOM 563 CD2 LEU A 33 -18.263 1.522 -6.428 1.00 0.00 C ATOM 0 H LEU A 33 -19.882 -1.751 -3.238 1.00 0.00 H new ATOM 0 HA LEU A 33 -20.339 -1.688 -6.161 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -21.251 0.417 -5.207 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -19.707 0.718 -4.435 1.00 0.00 H new ATOM 0 HG LEU A 33 -19.610 0.126 -7.342 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -20.254 2.508 -7.915 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -21.612 1.624 -7.179 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -20.672 2.780 -6.207 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -17.954 1.976 -7.370 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -18.285 2.283 -5.648 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -17.554 0.741 -6.152 1.00 0.00 H new TER 575 LEU A 33