USER MOD reduce.3.24.130724 H: found=0, std=0, add=136, rem=0, adj=4 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 72:sc= 0.0227 USER MOD Single : A 5 GLN : amide:sc= -0.0796 X(o=-0.08,f=-0.55) USER MOD Single : A 8 LYS NZ :NH3+ -162:sc= -0.0286 (180deg=-0.255) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 102:sc= 0.907 USER MOD ----------------------------------------------------------------- ATOM 17 N LEU A 2 -5.641 5.081 -1.489 1.00 0.00 N ATOM 18 CA LEU A 2 -4.771 4.070 -2.118 1.00 0.00 C ATOM 19 C LEU A 2 -4.066 3.118 -1.122 1.00 0.00 C ATOM 20 O LEU A 2 -3.610 2.044 -1.507 1.00 0.00 O ATOM 21 CB LEU A 2 -3.736 4.788 -3.009 1.00 0.00 C ATOM 22 CG LEU A 2 -3.207 3.896 -4.155 1.00 0.00 C ATOM 23 CD1 LEU A 2 -4.121 3.970 -5.385 1.00 0.00 C ATOM 24 CD2 LEU A 2 -1.783 4.286 -4.551 1.00 0.00 C ATOM 0 HA LEU A 2 -5.418 3.424 -2.712 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -4.189 5.685 -3.433 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -2.898 5.114 -2.393 1.00 0.00 H new ATOM 0 HG LEU A 2 -3.199 2.871 -3.783 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -3.722 3.332 -6.174 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -5.122 3.632 -5.116 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -4.170 4.999 -5.741 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -1.440 3.640 -5.359 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -1.769 5.323 -4.885 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -1.122 4.173 -3.691 1.00 0.00 H new ATOM 36 N TYR A 3 -4.017 3.470 0.169 1.00 0.00 N ATOM 37 CA TYR A 3 -3.452 2.660 1.248 1.00 0.00 C ATOM 38 C TYR A 3 -4.002 1.221 1.271 1.00 0.00 C ATOM 39 O TYR A 3 -3.253 0.284 1.527 1.00 0.00 O ATOM 40 CB TYR A 3 -3.690 3.373 2.590 1.00 0.00 C ATOM 41 CG TYR A 3 -2.578 3.161 3.597 1.00 0.00 C ATOM 42 CD1 TYR A 3 -2.514 1.966 4.339 1.00 0.00 C ATOM 43 CD2 TYR A 3 -1.601 4.161 3.787 1.00 0.00 C ATOM 44 CE1 TYR A 3 -1.479 1.768 5.270 1.00 0.00 C ATOM 45 CE2 TYR A 3 -0.567 3.969 4.722 1.00 0.00 C ATOM 46 CZ TYR A 3 -0.503 2.769 5.464 1.00 0.00 C ATOM 47 OH TYR A 3 0.485 2.574 6.378 1.00 0.00 O ATOM 0 H TYR A 3 -4.385 4.362 0.500 1.00 0.00 H new ATOM 0 HA TYR A 3 -2.381 2.561 1.069 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -3.805 4.442 2.408 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -4.628 3.020 3.018 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -3.261 1.200 4.193 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -1.647 5.075 3.214 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -1.431 0.850 5.837 1.00 0.00 H new ATOM 0 HE2 TYR A 3 0.176 4.738 4.872 1.00 0.00 H new ATOM 0 HH TYR A 3 1.110 1.897 6.044 1.00 0.00 H new ATOM 57 N ILE A 4 -5.291 1.031 0.946 1.00 0.00 N ATOM 58 CA ILE A 4 -5.931 -0.293 0.853 1.00 0.00 C ATOM 59 C ILE A 4 -5.280 -1.132 -0.262 1.00 0.00 C ATOM 60 O ILE A 4 -4.975 -2.308 -0.057 1.00 0.00 O ATOM 61 CB ILE A 4 -7.452 -0.139 0.612 1.00 0.00 C ATOM 62 CG1 ILE A 4 -8.150 0.694 1.716 1.00 0.00 C ATOM 63 CG2 ILE A 4 -8.133 -1.519 0.519 1.00 0.00 C ATOM 64 CD1 ILE A 4 -9.405 1.406 1.195 1.00 0.00 C ATOM 0 H ILE A 4 -5.926 1.801 0.738 1.00 0.00 H new ATOM 0 HA ILE A 4 -5.786 -0.817 1.798 1.00 0.00 H new ATOM 0 HB ILE A 4 -7.558 0.395 -0.332 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -8.422 0.041 2.545 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -7.451 1.433 2.109 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -9.202 -1.387 0.349 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -7.701 -2.083 -0.308 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -7.978 -2.065 1.450 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -9.861 1.978 2.003 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -9.130 2.080 0.384 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -10.116 0.667 0.827 1.00 0.00 H new ATOM 76 N GLN A 5 -5.043 -0.527 -1.433 1.00 0.00 N ATOM 77 CA GLN A 5 -4.319 -1.165 -2.532 1.00 0.00 C ATOM 78 C GLN A 5 -2.856 -1.426 -2.147 1.00 0.00 C ATOM 79 O GLN A 5 -2.382 -2.537 -2.342 1.00 0.00 O ATOM 80 CB GLN A 5 -4.432 -0.330 -3.822 1.00 0.00 C ATOM 81 CG GLN A 5 -5.812 -0.453 -4.498 1.00 0.00 C ATOM 82 CD GLN A 5 -6.574 0.869 -4.544 1.00 0.00 C ATOM 83 OE1 GLN A 5 -6.511 1.619 -5.500 1.00 0.00 O ATOM 84 NE2 GLN A 5 -7.337 1.205 -3.520 1.00 0.00 N ATOM 0 H GLN A 5 -5.351 0.423 -1.642 1.00 0.00 H new ATOM 0 HA GLN A 5 -4.780 -2.133 -2.730 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -4.239 0.717 -3.589 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -3.660 -0.648 -4.523 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -5.681 -0.826 -5.514 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -6.408 -1.191 -3.962 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -7.403 0.589 -2.709 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -7.861 2.080 -3.540 1.00 0.00 H new ATOM 93 N TRP A 6 -2.161 -0.464 -1.529 1.00 0.00 N ATOM 94 CA TRP A 6 -0.783 -0.667 -1.057 1.00 0.00 C ATOM 95 C TRP A 6 -0.645 -1.797 -0.021 1.00 0.00 C ATOM 96 O TRP A 6 0.314 -2.570 -0.062 1.00 0.00 O ATOM 97 CB TRP A 6 -0.249 0.652 -0.495 1.00 0.00 C ATOM 98 CG TRP A 6 1.135 0.570 0.072 1.00 0.00 C ATOM 99 CD1 TRP A 6 2.275 0.562 -0.652 1.00 0.00 C ATOM 100 CD2 TRP A 6 1.545 0.458 1.469 1.00 0.00 C ATOM 101 NE1 TRP A 6 3.360 0.439 0.197 1.00 0.00 N ATOM 102 CE2 TRP A 6 2.968 0.390 1.513 1.00 0.00 C ATOM 103 CE3 TRP A 6 0.867 0.423 2.708 1.00 0.00 C ATOM 104 CZ2 TRP A 6 3.691 0.320 2.711 1.00 0.00 C ATOM 105 CZ3 TRP A 6 1.580 0.342 3.919 1.00 0.00 C ATOM 106 CH2 TRP A 6 2.987 0.304 3.924 1.00 0.00 C ATOM 0 H TRP A 6 -2.531 0.468 -1.343 1.00 0.00 H new ATOM 0 HA TRP A 6 -0.189 -0.984 -1.914 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -0.260 1.401 -1.287 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -0.927 1.002 0.284 1.00 0.00 H new ATOM 0 HD1 TRP A 6 2.331 0.640 -1.728 1.00 0.00 H new ATOM 0 HE1 TRP A 6 4.330 0.391 -0.115 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -0.212 0.459 2.726 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 4.770 0.279 2.701 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 1.042 0.309 4.855 1.00 0.00 H new ATOM 0 HH2 TRP A 6 3.524 0.263 4.860 1.00 0.00 H new ATOM 117 N LEU A 7 -1.613 -1.946 0.894 1.00 0.00 N ATOM 118 CA LEU A 7 -1.654 -3.093 1.806 1.00 0.00 C ATOM 119 C LEU A 7 -1.835 -4.426 1.058 1.00 0.00 C ATOM 120 O LEU A 7 -1.246 -5.420 1.478 1.00 0.00 O ATOM 121 CB LEU A 7 -2.752 -2.898 2.866 1.00 0.00 C ATOM 122 CG LEU A 7 -2.416 -1.848 3.943 1.00 0.00 C ATOM 123 CD1 LEU A 7 -3.648 -1.629 4.827 1.00 0.00 C ATOM 124 CD2 LEU A 7 -1.246 -2.272 4.838 1.00 0.00 C ATOM 0 H LEU A 7 -2.379 -1.284 1.021 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.689 -3.145 2.310 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.675 -2.606 2.366 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.943 -3.854 3.354 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.126 -0.934 3.425 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.419 -0.887 5.592 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -4.477 -1.275 4.214 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.925 -2.569 5.304 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -1.054 -1.495 5.578 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.496 -3.203 5.346 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.356 -2.420 4.227 1.00 0.00 H new ATOM 136 N LYS A 8 -2.573 -4.450 -0.065 1.00 0.00 N ATOM 137 CA LYS A 8 -2.753 -5.637 -0.920 1.00 0.00 C ATOM 138 C LYS A 8 -1.423 -6.194 -1.444 1.00 0.00 C ATOM 139 O LYS A 8 -1.285 -7.410 -1.532 1.00 0.00 O ATOM 140 CB LYS A 8 -3.680 -5.295 -2.099 1.00 0.00 C ATOM 141 CG LYS A 8 -4.298 -6.504 -2.814 1.00 0.00 C ATOM 142 CD LYS A 8 -5.536 -7.065 -2.098 1.00 0.00 C ATOM 143 CE LYS A 8 -6.303 -8.006 -3.036 1.00 0.00 C ATOM 144 NZ LYS A 8 -7.007 -7.254 -4.106 1.00 0.00 N ATOM 0 H LYS A 8 -3.071 -3.630 -0.411 1.00 0.00 H new ATOM 0 HA LYS A 8 -3.205 -6.414 -0.303 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.485 -4.658 -1.734 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -3.116 -4.711 -2.827 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -4.573 -6.216 -3.829 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -3.548 -7.290 -2.898 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -5.234 -7.601 -1.198 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -6.184 -6.248 -1.780 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -5.610 -8.717 -3.485 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -7.026 -8.585 -2.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -7.743 -7.856 -4.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -7.446 -6.403 -3.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -6.326 -6.976 -4.841 1.00 0.00 H new ATOM 158 N ASP A 9 -0.447 -5.329 -1.753 1.00 0.00 N ATOM 159 CA ASP A 9 0.910 -5.749 -2.133 1.00 0.00 C ATOM 160 C ASP A 9 1.670 -6.459 -0.990 1.00 0.00 C ATOM 161 O ASP A 9 2.622 -7.186 -1.270 1.00 0.00 O ATOM 162 CB ASP A 9 1.736 -4.535 -2.594 1.00 0.00 C ATOM 163 CG ASP A 9 1.220 -3.854 -3.861 1.00 0.00 C ATOM 164 OD1 ASP A 9 1.591 -4.337 -4.953 1.00 0.00 O ATOM 165 OD2 ASP A 9 0.541 -2.814 -3.721 1.00 0.00 O ATOM 0 H ASP A 9 -0.576 -4.317 -1.747 1.00 0.00 H new ATOM 0 HA ASP A 9 0.787 -6.465 -2.946 1.00 0.00 H new ATOM 0 HB2 ASP A 9 1.759 -3.802 -1.788 1.00 0.00 H new ATOM 0 HB3 ASP A 9 2.764 -4.856 -2.763 1.00 0.00 H new ATOM 170 N GLY A 10 1.257 -6.258 0.274 1.00 0.00 N ATOM 171 CA GLY A 10 1.961 -6.712 1.480 1.00 0.00 C ATOM 172 C GLY A 10 2.411 -5.586 2.425 1.00 0.00 C ATOM 173 O GLY A 10 3.160 -5.849 3.367 1.00 0.00 O ATOM 0 H GLY A 10 0.394 -5.758 0.488 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.309 -7.391 2.030 1.00 0.00 H new ATOM 0 HA3 GLY A 10 2.837 -7.286 1.178 1.00 0.00 H new ATOM 177 N GLY A 11 2.008 -4.326 2.183 1.00 0.00 N ATOM 178 CA GLY A 11 2.450 -3.174 2.973 1.00 0.00 C ATOM 179 C GLY A 11 3.980 -2.984 2.932 1.00 0.00 C ATOM 180 O GLY A 11 4.559 -3.040 1.839 1.00 0.00 O ATOM 0 H GLY A 11 1.364 -4.082 1.430 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.965 -2.273 2.599 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.130 -3.302 4.007 1.00 0.00 H new ATOM 184 N PRO A 12 4.665 -2.766 4.078 1.00 0.00 N ATOM 185 CA PRO A 12 6.116 -2.537 4.125 1.00 0.00 C ATOM 186 C PRO A 12 6.959 -3.639 3.466 1.00 0.00 C ATOM 187 O PRO A 12 8.019 -3.357 2.912 1.00 0.00 O ATOM 188 CB PRO A 12 6.477 -2.417 5.612 1.00 0.00 C ATOM 189 CG PRO A 12 5.164 -2.042 6.293 1.00 0.00 C ATOM 190 CD PRO A 12 4.110 -2.726 5.425 1.00 0.00 C ATOM 0 HA PRO A 12 6.346 -1.639 3.551 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.873 -3.355 6.002 1.00 0.00 H new ATOM 0 HB3 PRO A 12 7.241 -1.656 5.775 1.00 0.00 H new ATOM 0 HG2 PRO A 12 5.129 -2.397 7.323 1.00 0.00 H new ATOM 0 HG3 PRO A 12 5.021 -0.962 6.323 1.00 0.00 H new ATOM 0 HD2 PRO A 12 3.897 -3.731 5.789 1.00 0.00 H new ATOM 0 HD3 PRO A 12 3.170 -2.174 5.444 1.00 0.00 H new ATOM 198 N SER A 13 6.486 -4.890 3.490 1.00 0.00 N ATOM 199 CA SER A 13 7.202 -6.073 2.992 1.00 0.00 C ATOM 200 C SER A 13 7.143 -6.241 1.464 1.00 0.00 C ATOM 201 O SER A 13 7.476 -7.309 0.957 1.00 0.00 O ATOM 202 CB SER A 13 6.669 -7.320 3.710 1.00 0.00 C ATOM 203 OG SER A 13 6.903 -7.208 5.102 1.00 0.00 O ATOM 0 H SER A 13 5.566 -5.116 3.868 1.00 0.00 H new ATOM 0 HA SER A 13 8.259 -5.931 3.218 1.00 0.00 H new ATOM 0 HB2 SER A 13 5.602 -7.433 3.519 1.00 0.00 H new ATOM 0 HB3 SER A 13 7.158 -8.213 3.320 1.00 0.00 H new ATOM 0 HG SER A 13 6.560 -8.005 5.557 1.00 0.00 H new ATOM 209 N SER A 14 6.739 -5.198 0.725 1.00 0.00 N ATOM 210 CA SER A 14 6.405 -5.266 -0.708 1.00 0.00 C ATOM 211 C SER A 14 7.371 -4.503 -1.623 1.00 0.00 C ATOM 212 O SER A 14 7.116 -4.406 -2.826 1.00 0.00 O ATOM 213 CB SER A 14 4.983 -4.759 -0.973 1.00 0.00 C ATOM 214 OG SER A 14 4.134 -4.862 0.138 1.00 0.00 O ATOM 0 H SER A 14 6.632 -4.261 1.114 1.00 0.00 H new ATOM 0 HA SER A 14 6.491 -6.324 -0.954 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.031 -3.717 -1.288 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.554 -5.323 -1.801 1.00 0.00 H new ATOM 0 HG SER A 14 4.035 -3.981 0.557 1.00 0.00 H new ATOM 220 N GLY A 15 8.442 -3.922 -1.059 1.00 0.00 N ATOM 221 CA GLY A 15 9.474 -3.182 -1.792 1.00 0.00 C ATOM 222 C GLY A 15 9.029 -1.817 -2.334 1.00 0.00 C ATOM 223 O GLY A 15 9.636 -1.322 -3.282 1.00 0.00 O ATOM 0 H GLY A 15 8.616 -3.957 -0.055 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.330 -3.034 -1.134 1.00 0.00 H new ATOM 0 HA3 GLY A 15 9.816 -3.794 -2.627 1.00 0.00 H new ATOM 227 N ARG A 16 7.971 -1.217 -1.769 1.00 0.00 N ATOM 228 CA ARG A 16 7.354 0.032 -2.244 1.00 0.00 C ATOM 229 C ARG A 16 6.844 0.894 -1.071 1.00 0.00 C ATOM 230 O ARG A 16 6.204 0.347 -0.168 1.00 0.00 O ATOM 231 CB ARG A 16 6.234 -0.313 -3.248 1.00 0.00 C ATOM 232 CG ARG A 16 5.064 -1.085 -2.611 1.00 0.00 C ATOM 233 CD ARG A 16 4.139 -1.794 -3.605 1.00 0.00 C ATOM 234 NE ARG A 16 4.801 -2.956 -4.225 1.00 0.00 N ATOM 235 CZ ARG A 16 5.278 -3.071 -5.455 1.00 0.00 C ATOM 236 NH1 ARG A 16 5.210 -2.093 -6.329 1.00 0.00 N ATOM 237 NH2 ARG A 16 5.864 -4.186 -5.822 1.00 0.00 N ATOM 0 H ARG A 16 7.507 -1.598 -0.945 1.00 0.00 H new ATOM 0 HA ARG A 16 8.104 0.636 -2.753 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.855 0.608 -3.690 1.00 0.00 H new ATOM 0 HB3 ARG A 16 6.653 -0.907 -4.060 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.470 -1.826 -1.923 1.00 0.00 H new ATOM 0 HG3 ARG A 16 4.470 -0.390 -2.017 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.234 -2.120 -3.092 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.831 -1.093 -4.381 1.00 0.00 H new ATOM 0 HE ARG A 16 4.905 -3.778 -3.630 1.00 0.00 H new ATOM 0 HH11 ARG A 16 4.778 -1.206 -6.069 1.00 0.00 H new ATOM 0 HH12 ARG A 16 5.589 -2.220 -7.267 1.00 0.00 H new ATOM 0 HH21 ARG A 16 5.950 -4.958 -5.161 1.00 0.00 H new ATOM 0 HH22 ARG A 16 6.233 -4.281 -6.768 1.00 0.00 H new ATOM 251 N PRO A 17 7.087 2.220 -1.065 1.00 0.00 N ATOM 252 CA PRO A 17 6.655 3.106 0.019 1.00 0.00 C ATOM 253 C PRO A 17 5.123 3.267 0.052 1.00 0.00 C ATOM 254 O PRO A 17 4.470 3.043 -0.971 1.00 0.00 O ATOM 255 CB PRO A 17 7.355 4.442 -0.256 1.00 0.00 C ATOM 256 CG PRO A 17 7.509 4.455 -1.776 1.00 0.00 C ATOM 257 CD PRO A 17 7.758 2.986 -2.109 1.00 0.00 C ATOM 0 HA PRO A 17 6.919 2.702 0.996 1.00 0.00 H new ATOM 0 HB2 PRO A 17 6.762 5.286 0.095 1.00 0.00 H new ATOM 0 HB3 PRO A 17 8.321 4.501 0.246 1.00 0.00 H new ATOM 0 HG2 PRO A 17 6.614 4.834 -2.269 1.00 0.00 H new ATOM 0 HG3 PRO A 17 8.339 5.087 -2.092 1.00 0.00 H new ATOM 0 HD2 PRO A 17 7.361 2.736 -3.093 1.00 0.00 H new ATOM 0 HD3 PRO A 17 8.825 2.766 -2.130 1.00 0.00 H new ATOM 265 N PRO A 18 4.537 3.673 1.196 1.00 0.00 N ATOM 266 CA PRO A 18 3.102 3.903 1.304 1.00 0.00 C ATOM 267 C PRO A 18 2.667 5.149 0.509 1.00 0.00 C ATOM 268 O PRO A 18 3.454 6.085 0.353 1.00 0.00 O ATOM 269 CB PRO A 18 2.819 4.069 2.799 1.00 0.00 C ATOM 270 CG PRO A 18 4.134 4.621 3.345 1.00 0.00 C ATOM 271 CD PRO A 18 5.189 3.944 2.471 1.00 0.00 C ATOM 0 HA PRO A 18 2.536 3.073 0.881 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.990 4.754 2.978 1.00 0.00 H new ATOM 0 HB3 PRO A 18 2.556 3.120 3.267 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.180 5.707 3.262 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.267 4.376 4.399 1.00 0.00 H new ATOM 0 HD2 PRO A 18 6.057 4.589 2.336 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.545 3.022 2.931 1.00 0.00 H new ATOM 279 N PRO A 19 1.416 5.184 0.020 1.00 0.00 N ATOM 280 CA PRO A 19 0.856 6.338 -0.670 1.00 0.00 C ATOM 281 C PRO A 19 0.274 7.370 0.308 1.00 0.00 C ATOM 282 O PRO A 19 -0.285 7.006 1.346 1.00 0.00 O ATOM 283 CB PRO A 19 -0.241 5.744 -1.552 1.00 0.00 C ATOM 284 CG PRO A 19 -0.772 4.583 -0.706 1.00 0.00 C ATOM 285 CD PRO A 19 0.476 4.073 0.003 1.00 0.00 C ATOM 0 HA PRO A 19 1.613 6.880 -1.237 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -1.021 6.473 -1.772 1.00 0.00 H new ATOM 0 HB3 PRO A 19 0.152 5.400 -2.508 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.531 4.915 0.003 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.229 3.810 -1.324 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.242 3.746 1.016 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.897 3.215 -0.520 1.00 0.00 H new