USER MOD reduce.3.24.130724 H: found=0, std=0, add=136, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 137 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 Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= -0.288 X(o=-0.29,f=-0.13) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 160:sc= -0.332 USER MOD ----------------------------------------------------------------- ATOM 17 N LEU A 2 -5.522 4.698 -1.980 1.00 0.00 N ATOM 18 CA LEU A 2 -4.409 3.863 -2.457 1.00 0.00 C ATOM 19 C LEU A 2 -3.793 2.972 -1.363 1.00 0.00 C ATOM 20 O LEU A 2 -3.233 1.920 -1.669 1.00 0.00 O ATOM 21 CB LEU A 2 -3.326 4.784 -3.046 1.00 0.00 C ATOM 22 CG LEU A 2 -3.749 5.553 -4.315 1.00 0.00 C ATOM 23 CD1 LEU A 2 -2.850 6.776 -4.507 1.00 0.00 C ATOM 24 CD2 LEU A 2 -3.680 4.665 -5.559 1.00 0.00 C ATOM 0 HA LEU A 2 -4.810 3.185 -3.210 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -3.028 5.505 -2.284 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -2.446 4.184 -3.278 1.00 0.00 H new ATOM 0 HG LEU A 2 -4.783 5.872 -4.183 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -3.154 7.314 -5.405 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -2.940 7.433 -3.642 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -1.814 6.453 -4.611 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -3.985 5.240 -6.434 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -2.659 4.310 -5.696 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -4.347 3.812 -5.435 1.00 0.00 H new ATOM 36 N TYR A 3 -3.931 3.366 -0.089 1.00 0.00 N ATOM 37 CA TYR A 3 -3.447 2.623 1.074 1.00 0.00 C ATOM 38 C TYR A 3 -3.964 1.180 1.109 1.00 0.00 C ATOM 39 O TYR A 3 -3.229 0.272 1.491 1.00 0.00 O ATOM 40 CB TYR A 3 -3.837 3.358 2.368 1.00 0.00 C ATOM 41 CG TYR A 3 -2.695 3.445 3.358 1.00 0.00 C ATOM 42 CD1 TYR A 3 -2.319 2.321 4.114 1.00 0.00 C ATOM 43 CD2 TYR A 3 -1.990 4.653 3.499 1.00 0.00 C ATOM 44 CE1 TYR A 3 -1.242 2.408 5.016 1.00 0.00 C ATOM 45 CE2 TYR A 3 -0.914 4.751 4.400 1.00 0.00 C ATOM 46 CZ TYR A 3 -0.539 3.622 5.162 1.00 0.00 C ATOM 47 OH TYR A 3 0.485 3.702 6.054 1.00 0.00 O ATOM 0 H TYR A 3 -4.397 4.237 0.164 1.00 0.00 H new ATOM 0 HA TYR A 3 -2.361 2.570 0.993 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -4.176 4.364 2.121 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -4.678 2.844 2.834 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -2.856 1.391 4.003 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -2.277 5.512 2.911 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -0.954 1.544 5.597 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -0.378 5.683 4.508 1.00 0.00 H new ATOM 0 HH TYR A 3 0.867 4.604 6.034 1.00 0.00 H new ATOM 57 N ILE A 4 -5.213 0.963 0.670 1.00 0.00 N ATOM 58 CA ILE A 4 -5.823 -0.366 0.587 1.00 0.00 C ATOM 59 C ILE A 4 -5.035 -1.235 -0.401 1.00 0.00 C ATOM 60 O ILE A 4 -4.639 -2.349 -0.066 1.00 0.00 O ATOM 61 CB ILE A 4 -7.315 -0.267 0.189 1.00 0.00 C ATOM 62 CG1 ILE A 4 -8.131 0.588 1.186 1.00 0.00 C ATOM 63 CG2 ILE A 4 -7.906 -1.688 0.098 1.00 0.00 C ATOM 64 CD1 ILE A 4 -9.426 1.134 0.567 1.00 0.00 C ATOM 0 H ILE A 4 -5.831 1.714 0.361 1.00 0.00 H new ATOM 0 HA ILE A 4 -5.784 -0.837 1.569 1.00 0.00 H new ATOM 0 HB ILE A 4 -7.376 0.230 -0.779 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -8.376 -0.014 2.061 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -7.518 1.420 1.533 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -8.958 -1.627 -0.182 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -7.363 -2.261 -0.654 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -7.816 -2.182 1.065 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -9.962 1.727 1.308 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -9.183 1.760 -0.292 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -10.054 0.303 0.245 1.00 0.00 H new ATOM 76 N GLN A 5 -4.770 -0.707 -1.602 1.00 0.00 N ATOM 77 CA GLN A 5 -4.004 -1.401 -2.634 1.00 0.00 C ATOM 78 C GLN A 5 -2.557 -1.659 -2.193 1.00 0.00 C ATOM 79 O GLN A 5 -2.034 -2.749 -2.416 1.00 0.00 O ATOM 80 CB GLN A 5 -4.064 -0.600 -3.951 1.00 0.00 C ATOM 81 CG GLN A 5 -4.101 -1.517 -5.182 1.00 0.00 C ATOM 82 CD GLN A 5 -5.437 -2.250 -5.294 1.00 0.00 C ATOM 83 OE1 GLN A 5 -6.433 -1.708 -5.744 1.00 0.00 O ATOM 84 NE2 GLN A 5 -5.519 -3.495 -4.863 1.00 0.00 N ATOM 0 H GLN A 5 -5.085 0.221 -1.883 1.00 0.00 H new ATOM 0 HA GLN A 5 -4.454 -2.380 -2.800 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -4.948 0.038 -3.947 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -3.197 0.058 -4.015 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -3.932 -0.926 -6.082 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -3.290 -2.243 -5.121 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -4.693 -3.959 -4.485 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -6.408 -3.993 -4.908 1.00 0.00 H new ATOM 93 N TRP A 6 -1.937 -0.681 -1.518 1.00 0.00 N ATOM 94 CA TRP A 6 -0.600 -0.811 -0.937 1.00 0.00 C ATOM 95 C TRP A 6 -0.532 -1.917 0.130 1.00 0.00 C ATOM 96 O TRP A 6 0.363 -2.764 0.091 1.00 0.00 O ATOM 97 CB TRP A 6 -0.164 0.545 -0.369 1.00 0.00 C ATOM 98 CG TRP A 6 1.216 0.547 0.205 1.00 0.00 C ATOM 99 CD1 TRP A 6 2.366 0.594 -0.508 1.00 0.00 C ATOM 100 CD2 TRP A 6 1.619 0.456 1.606 1.00 0.00 C ATOM 101 NE1 TRP A 6 3.444 0.504 0.353 1.00 0.00 N ATOM 102 CE2 TRP A 6 3.043 0.441 1.664 1.00 0.00 C ATOM 103 CE3 TRP A 6 0.931 0.375 2.834 1.00 0.00 C ATOM 104 CZ2 TRP A 6 3.753 0.369 2.869 1.00 0.00 C ATOM 105 CZ3 TRP A 6 1.631 0.287 4.054 1.00 0.00 C ATOM 106 CH2 TRP A 6 3.038 0.291 4.074 1.00 0.00 C ATOM 0 H TRP A 6 -2.359 0.234 -1.360 1.00 0.00 H new ATOM 0 HA TRP A 6 0.091 -1.111 -1.725 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -0.219 1.293 -1.160 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -0.869 0.847 0.405 1.00 0.00 H new ATOM 0 HD1 TRP A 6 2.431 0.687 -1.582 1.00 0.00 H new ATOM 0 HE1 TRP A 6 4.418 0.487 0.051 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -0.149 0.380 2.840 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 4.833 0.373 2.871 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 1.083 0.216 4.982 1.00 0.00 H new ATOM 0 HH2 TRP A 6 3.566 0.234 5.014 1.00 0.00 H new ATOM 117 N LEU A 7 -1.493 -1.950 1.062 1.00 0.00 N ATOM 118 CA LEU A 7 -1.591 -3.020 2.054 1.00 0.00 C ATOM 119 C LEU A 7 -1.887 -4.379 1.416 1.00 0.00 C ATOM 120 O LEU A 7 -1.332 -5.379 1.867 1.00 0.00 O ATOM 121 CB LEU A 7 -2.648 -2.680 3.119 1.00 0.00 C ATOM 122 CG LEU A 7 -2.204 -1.596 4.116 1.00 0.00 C ATOM 123 CD1 LEU A 7 -3.353 -1.276 5.075 1.00 0.00 C ATOM 124 CD2 LEU A 7 -0.992 -2.019 4.955 1.00 0.00 C ATOM 0 H LEU A 7 -2.219 -1.239 1.147 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.617 -3.097 2.537 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.559 -2.349 2.620 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.898 -3.586 3.671 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.923 -0.726 3.523 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.035 -0.508 5.780 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -4.211 -0.915 4.507 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.632 -2.177 5.622 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.725 -1.214 5.640 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.239 -2.914 5.526 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.149 -2.230 4.297 1.00 0.00 H new ATOM 136 N LYS A 8 -2.704 -4.425 0.351 1.00 0.00 N ATOM 137 CA LYS A 8 -3.024 -5.667 -0.363 1.00 0.00 C ATOM 138 C LYS A 8 -1.783 -6.379 -0.902 1.00 0.00 C ATOM 139 O LYS A 8 -1.714 -7.603 -0.824 1.00 0.00 O ATOM 140 CB LYS A 8 -4.029 -5.384 -1.498 1.00 0.00 C ATOM 141 CG LYS A 8 -4.718 -6.666 -1.991 1.00 0.00 C ATOM 142 CD LYS A 8 -5.727 -7.192 -0.954 1.00 0.00 C ATOM 143 CE LYS A 8 -5.697 -8.722 -0.865 1.00 0.00 C ATOM 144 NZ LYS A 8 -6.010 -9.184 0.509 1.00 0.00 N ATOM 0 H LYS A 8 -3.161 -3.600 -0.038 1.00 0.00 H new ATOM 0 HA LYS A 8 -3.478 -6.344 0.360 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.783 -4.679 -1.147 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -3.511 -4.908 -2.330 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -5.231 -6.467 -2.932 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -3.968 -7.431 -2.192 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -5.501 -6.765 0.023 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -6.731 -6.862 -1.222 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -6.417 -9.144 -1.567 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -4.713 -9.087 -1.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -5.983 -10.223 0.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -5.308 -8.799 1.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -6.959 -8.854 0.778 1.00 0.00 H new ATOM 158 N ASP A 9 -0.814 -5.616 -1.411 1.00 0.00 N ATOM 159 CA ASP A 9 0.466 -6.130 -1.902 1.00 0.00 C ATOM 160 C ASP A 9 1.395 -6.627 -0.772 1.00 0.00 C ATOM 161 O ASP A 9 2.377 -7.317 -1.041 1.00 0.00 O ATOM 162 CB ASP A 9 1.145 -5.018 -2.722 1.00 0.00 C ATOM 163 CG ASP A 9 2.033 -5.572 -3.840 1.00 0.00 C ATOM 164 OD1 ASP A 9 3.217 -5.858 -3.563 1.00 0.00 O ATOM 165 OD2 ASP A 9 1.516 -5.670 -4.975 1.00 0.00 O ATOM 0 H ASP A 9 -0.899 -4.603 -1.495 1.00 0.00 H new ATOM 0 HA ASP A 9 0.270 -7.004 -2.523 1.00 0.00 H new ATOM 0 HB2 ASP A 9 0.381 -4.373 -3.155 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.747 -4.398 -2.058 1.00 0.00 H new ATOM 170 N GLY A 10 1.124 -6.267 0.493 1.00 0.00 N ATOM 171 CA GLY A 10 1.948 -6.626 1.656 1.00 0.00 C ATOM 172 C GLY A 10 2.533 -5.439 2.437 1.00 0.00 C ATOM 173 O GLY A 10 3.358 -5.653 3.329 1.00 0.00 O ATOM 0 H GLY A 10 0.308 -5.706 0.740 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.344 -7.226 2.337 1.00 0.00 H new ATOM 0 HA3 GLY A 10 2.769 -7.258 1.318 1.00 0.00 H new ATOM 177 N GLY A 11 2.128 -4.200 2.126 1.00 0.00 N ATOM 178 CA GLY A 11 2.561 -2.998 2.829 1.00 0.00 C ATOM 179 C GLY A 11 4.092 -2.817 2.806 1.00 0.00 C ATOM 180 O GLY A 11 4.667 -2.692 1.724 1.00 0.00 O ATOM 0 H GLY A 11 1.478 -4.008 1.364 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.089 -2.126 2.376 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.220 -3.044 3.863 1.00 0.00 H new ATOM 184 N PRO A 12 4.785 -2.805 3.967 1.00 0.00 N ATOM 185 CA PRO A 12 6.246 -2.706 4.011 1.00 0.00 C ATOM 186 C PRO A 12 6.976 -3.836 3.263 1.00 0.00 C ATOM 187 O PRO A 12 8.113 -3.645 2.838 1.00 0.00 O ATOM 188 CB PRO A 12 6.631 -2.710 5.496 1.00 0.00 C ATOM 189 CG PRO A 12 5.341 -2.359 6.233 1.00 0.00 C ATOM 190 CD PRO A 12 4.243 -2.888 5.316 1.00 0.00 C ATOM 0 HA PRO A 12 6.554 -1.795 3.499 1.00 0.00 H new ATOM 0 HB2 PRO A 12 7.010 -3.684 5.804 1.00 0.00 H new ATOM 0 HB3 PRO A 12 7.416 -1.983 5.703 1.00 0.00 H new ATOM 0 HG2 PRO A 12 5.302 -2.828 7.216 1.00 0.00 H new ATOM 0 HG3 PRO A 12 5.249 -1.284 6.389 1.00 0.00 H new ATOM 0 HD2 PRO A 12 3.981 -3.915 5.571 1.00 0.00 H new ATOM 0 HD3 PRO A 12 3.334 -2.294 5.410 1.00 0.00 H new ATOM 198 N SER A 13 6.332 -4.997 3.071 1.00 0.00 N ATOM 199 CA SER A 13 6.911 -6.174 2.405 1.00 0.00 C ATOM 200 C SER A 13 6.618 -6.217 0.896 1.00 0.00 C ATOM 201 O SER A 13 6.579 -7.294 0.305 1.00 0.00 O ATOM 202 CB SER A 13 6.458 -7.466 3.098 1.00 0.00 C ATOM 203 OG SER A 13 6.899 -7.491 4.441 1.00 0.00 O ATOM 0 H SER A 13 5.372 -5.147 3.382 1.00 0.00 H new ATOM 0 HA SER A 13 7.993 -6.088 2.500 1.00 0.00 H new ATOM 0 HB2 SER A 13 5.371 -7.541 3.065 1.00 0.00 H new ATOM 0 HB3 SER A 13 6.853 -8.330 2.564 1.00 0.00 H new ATOM 0 HG SER A 13 6.600 -8.321 4.868 1.00 0.00 H new ATOM 209 N SER A 14 6.432 -5.052 0.265 1.00 0.00 N ATOM 210 CA SER A 14 6.076 -4.919 -1.157 1.00 0.00 C ATOM 211 C SER A 14 7.132 -4.174 -1.984 1.00 0.00 C ATOM 212 O SER A 14 6.929 -3.921 -3.169 1.00 0.00 O ATOM 213 CB SER A 14 4.715 -4.232 -1.266 1.00 0.00 C ATOM 214 OG SER A 14 3.775 -4.945 -0.496 1.00 0.00 O ATOM 0 H SER A 14 6.526 -4.153 0.738 1.00 0.00 H new ATOM 0 HA SER A 14 6.029 -5.923 -1.580 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.785 -3.202 -0.915 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.396 -4.193 -2.308 1.00 0.00 H new ATOM 0 HG SER A 14 3.010 -4.366 -0.295 1.00 0.00 H new ATOM 220 N GLY A 15 8.259 -3.794 -1.363 1.00 0.00 N ATOM 221 CA GLY A 15 9.337 -3.046 -2.017 1.00 0.00 C ATOM 222 C GLY A 15 8.945 -1.615 -2.403 1.00 0.00 C ATOM 223 O GLY A 15 9.471 -1.083 -3.379 1.00 0.00 O ATOM 0 H GLY A 15 8.447 -4.001 -0.382 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.199 -3.010 -1.351 1.00 0.00 H new ATOM 0 HA3 GLY A 15 9.648 -3.583 -2.913 1.00 0.00 H new ATOM 227 N ARG A 16 8.005 -1.001 -1.666 1.00 0.00 N ATOM 228 CA ARG A 16 7.468 0.335 -1.947 1.00 0.00 C ATOM 229 C ARG A 16 6.939 1.037 -0.683 1.00 0.00 C ATOM 230 O ARG A 16 6.297 0.382 0.141 1.00 0.00 O ATOM 231 CB ARG A 16 6.363 0.241 -3.014 1.00 0.00 C ATOM 232 CG ARG A 16 5.268 -0.802 -2.713 1.00 0.00 C ATOM 233 CD ARG A 16 4.161 -0.846 -3.770 1.00 0.00 C ATOM 234 NE ARG A 16 4.681 -1.237 -5.095 1.00 0.00 N ATOM 235 CZ ARG A 16 5.016 -0.436 -6.099 1.00 0.00 C ATOM 236 NH1 ARG A 16 4.910 0.871 -6.014 1.00 0.00 N ATOM 237 NH2 ARG A 16 5.479 -0.936 -7.220 1.00 0.00 N ATOM 0 H ARG A 16 7.590 -1.432 -0.840 1.00 0.00 H new ATOM 0 HA ARG A 16 8.290 0.944 -2.324 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.895 1.220 -3.121 1.00 0.00 H new ATOM 0 HB3 ARG A 16 6.822 0.001 -3.973 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.727 -1.788 -2.637 1.00 0.00 H new ATOM 0 HG3 ARG A 16 4.824 -0.582 -1.742 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.390 -1.552 -3.460 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.687 0.133 -3.840 1.00 0.00 H new ATOM 0 HE ARG A 16 4.796 -2.237 -5.258 1.00 0.00 H new ATOM 0 HH11 ARG A 16 4.561 1.300 -5.157 1.00 0.00 H new ATOM 0 HH12 ARG A 16 5.177 1.457 -6.805 1.00 0.00 H new ATOM 0 HH21 ARG A 16 5.583 -1.945 -7.324 1.00 0.00 H new ATOM 0 HH22 ARG A 16 5.735 -0.315 -7.988 1.00 0.00 H new ATOM 251 N PRO A 17 7.146 2.361 -0.541 1.00 0.00 N ATOM 252 CA PRO A 17 6.642 3.137 0.592 1.00 0.00 C ATOM 253 C PRO A 17 5.117 3.361 0.511 1.00 0.00 C ATOM 254 O PRO A 17 4.532 3.158 -0.557 1.00 0.00 O ATOM 255 CB PRO A 17 7.416 4.460 0.520 1.00 0.00 C ATOM 256 CG PRO A 17 7.671 4.652 -0.972 1.00 0.00 C ATOM 257 CD PRO A 17 7.829 3.228 -1.493 1.00 0.00 C ATOM 0 HA PRO A 17 6.793 2.620 1.540 1.00 0.00 H new ATOM 0 HB2 PRO A 17 6.838 5.285 0.936 1.00 0.00 H new ATOM 0 HB3 PRO A 17 8.349 4.409 1.082 1.00 0.00 H new ATOM 0 HG2 PRO A 17 6.842 5.167 -1.458 1.00 0.00 H new ATOM 0 HG3 PRO A 17 8.566 5.247 -1.153 1.00 0.00 H new ATOM 0 HD2 PRO A 17 7.396 3.129 -2.488 1.00 0.00 H new ATOM 0 HD3 PRO A 17 8.882 2.960 -1.576 1.00 0.00 H new ATOM 265 N PRO A 18 4.468 3.790 1.613 1.00 0.00 N ATOM 266 CA PRO A 18 3.035 4.076 1.629 1.00 0.00 C ATOM 267 C PRO A 18 2.678 5.275 0.730 1.00 0.00 C ATOM 268 O PRO A 18 3.501 6.177 0.557 1.00 0.00 O ATOM 269 CB PRO A 18 2.681 4.342 3.098 1.00 0.00 C ATOM 270 CG PRO A 18 3.998 4.812 3.711 1.00 0.00 C ATOM 271 CD PRO A 18 5.049 4.030 2.928 1.00 0.00 C ATOM 0 HA PRO A 18 2.462 3.240 1.228 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.903 5.100 3.191 1.00 0.00 H new ATOM 0 HB3 PRO A 18 2.310 3.443 3.589 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.132 5.888 3.600 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.046 4.593 4.778 1.00 0.00 H new ATOM 0 HD2 PRO A 18 5.978 4.595 2.848 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.289 3.091 3.427 1.00 0.00 H new ATOM 279 N PRO A 19 1.456 5.312 0.158 1.00 0.00 N ATOM 280 CA PRO A 19 1.020 6.389 -0.730 1.00 0.00 C ATOM 281 C PRO A 19 0.573 7.658 0.014 1.00 0.00 C ATOM 282 O PRO A 19 0.781 8.756 -0.501 1.00 0.00 O ATOM 283 CB PRO A 19 -0.147 5.799 -1.525 1.00 0.00 C ATOM 284 CG PRO A 19 -0.739 4.750 -0.582 1.00 0.00 C ATOM 285 CD PRO A 19 0.461 4.252 0.217 1.00 0.00 C ATOM 0 HA PRO A 19 1.849 6.715 -1.358 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -0.880 6.562 -1.785 1.00 0.00 H new ATOM 0 HB3 PRO A 19 0.192 5.351 -2.459 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.500 5.182 0.068 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.215 3.940 -1.135 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.180 4.038 1.248 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.853 3.326 -0.205 1.00 0.00 H new