USER MOD reduce.3.24.130724 H: found=0, std=0, add=127, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 136 hydrogens (60 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 NoAdj-H: A 1 THR H1 : A 1 THR N : A 14 PRO C :(NH2R) USER MOD NoAdj-H: A 1 THR H2 : A 1 THR N : A 14 PRO C :(NH2R) USER MOD NoAdj-H: A 4 DAB H2 : A 4 DAB N : A 3 LEU C :(H bumps) USER MOD NoAdj-H: A 4 DAB H : A 4 DAB N : A 3 LEU C :(H bumps) USER MOD NoAdj-H: A 5 ORN H2 : A 5 ORN N : A 4 DAB C :(H bumps) USER MOD NoAdj-H: A 5 ORN H : A 5 ORN N : A 4 DAB C :(H bumps) USER MOD NoAdj-H: A 6 DLY H2 : A 6 DLY N : A 5 ORN C :(H bumps) USER MOD NoAdj-H: A 6 DLY H : A 6 DLY N : A 5 ORN C :(H bumps) USER MOD NoAdj-H: A 9 ORN H : A 9 ORN N : A 8 TRP C :(H bumps) USER MOD NoAdj-H: A 10 DAB H2 : A 10 DAB N : A 9 ORN C :(H bumps) USER MOD NoAdj-H: A 10 DAB H : A 10 DAB N : A 9 ORN C :(H bumps) USER MOD NoAdj-H: A 13 DPR H : A 13 DPR N : A 12 LYS C :(H bumps) USER MOD Single : A 1 THR N :NH3+ 148:sc= 0.129 (180deg=-0.00208) USER MOD Single : A 1 THR OG1 : rot -165:sc= -3.36! USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -8.999 -0.429 -2.924 1.00 0.00 N ATOM 2 CA THR A 1 -7.836 0.350 -2.535 1.00 0.00 C ATOM 3 C THR A 1 -6.680 -0.573 -2.144 1.00 0.00 C ATOM 4 O THR A 1 -6.774 -1.790 -2.298 1.00 0.00 O ATOM 5 CB THR A 1 -8.258 1.304 -1.415 1.00 0.00 C ATOM 6 OG1 THR A 1 -9.484 1.863 -1.879 1.00 0.00 O ATOM 7 CG2 THR A 1 -7.324 2.508 -1.287 1.00 0.00 C ATOM 0 H3 THR A 1 -9.864 0.088 -2.668 1.00 0.00 H new ATOM 0 HA THR A 1 -7.465 0.947 -3.368 1.00 0.00 H new ATOM 0 HB THR A 1 -8.283 0.763 -0.469 1.00 0.00 H new ATOM 0 HG1 THR A 1 -9.706 2.653 -1.344 1.00 0.00 H new ATOM 0 HG21 THR A 1 -7.669 3.152 -0.478 1.00 0.00 H new ATOM 0 HG22 THR A 1 -6.313 2.163 -1.070 1.00 0.00 H new ATOM 0 HG23 THR A 1 -7.323 3.069 -2.222 1.00 0.00 H new ATOM 15 N TRP A 2 -5.619 0.040 -1.644 1.00 0.00 N ATOM 16 CA TRP A 2 -4.446 -0.713 -1.230 1.00 0.00 C ATOM 17 C TRP A 2 -3.723 0.096 -0.150 1.00 0.00 C ATOM 18 O TRP A 2 -3.429 1.275 -0.346 1.00 0.00 O ATOM 19 CB TRP A 2 -3.554 -1.043 -2.428 1.00 0.00 C ATOM 20 CG TRP A 2 -3.731 -2.467 -2.961 1.00 0.00 C ATOM 21 CD1 TRP A 2 -4.669 -2.922 -3.803 1.00 0.00 C ATOM 22 CD2 TRP A 2 -2.905 -3.609 -2.651 1.00 0.00 C ATOM 23 NE1 TRP A 2 -4.509 -4.269 -4.058 1.00 0.00 N ATOM 24 CE2 TRP A 2 -3.402 -4.699 -3.336 1.00 0.00 C ATOM 25 CE3 TRP A 2 -1.775 -3.717 -1.822 1.00 0.00 C ATOM 26 CZ2 TRP A 2 -2.832 -5.977 -3.260 1.00 0.00 C ATOM 27 CZ3 TRP A 2 -1.218 -5.000 -1.757 1.00 0.00 C ATOM 28 CH2 TRP A 2 -1.707 -6.108 -2.439 1.00 0.00 C ATOM 0 H TRP A 2 -5.546 1.049 -1.516 1.00 0.00 H new ATOM 0 HA TRP A 2 -4.735 -1.676 -0.810 1.00 0.00 H new ATOM 0 HB2 TRP A 2 -3.765 -0.336 -3.231 1.00 0.00 H new ATOM 0 HB3 TRP A 2 -2.512 -0.899 -2.143 1.00 0.00 H new ATOM 0 HD1 TRP A 2 -5.452 -2.311 -4.229 1.00 0.00 H new ATOM 0 HE1 TRP A 2 -5.095 -4.843 -4.664 1.00 0.00 H new ATOM 0 HE3 TRP A 2 -1.369 -2.877 -1.278 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 -3.239 -6.815 -3.806 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 -0.347 -5.138 -1.133 1.00 0.00 H new ATOM 0 HH2 TRP A 2 -1.220 -7.066 -2.335 1.00 0.00 H new ATOM 39 N LEU A 3 -3.457 -0.569 0.964 1.00 0.00 N ATOM 40 CA LEU A 3 -2.772 0.073 2.073 1.00 0.00 C ATOM 41 C LEU A 3 -1.261 -0.025 1.860 1.00 0.00 C ATOM 42 O LEU A 3 -0.583 -0.870 2.437 1.00 0.00 O ATOM 43 CB LEU A 3 -3.245 -0.513 3.405 1.00 0.00 C ATOM 44 CG LEU A 3 -4.757 -0.693 3.560 1.00 0.00 C ATOM 45 CD1 LEU A 3 -5.091 -2.083 4.104 1.00 0.00 C ATOM 46 CD2 LEU A 3 -5.355 0.419 4.424 1.00 0.00 C ATOM 0 H LEU A 3 -3.703 -1.546 1.123 1.00 0.00 H new ATOM 0 HA LEU A 3 -3.020 1.134 2.111 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -2.768 -1.483 3.542 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -2.892 0.133 4.209 1.00 0.00 H new ATOM 0 HG LEU A 3 -5.213 -0.616 2.573 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -6.172 -2.184 4.205 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -4.718 -2.842 3.417 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -4.622 -2.214 5.079 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -6.430 0.268 4.519 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -4.897 0.397 5.413 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -5.164 1.385 3.957 1.00 0.00 H new HETATM 58 N DAB A 4 -0.736 0.898 0.985 1.00 0.00 N HETATM 59 CA DAB A 4 0.688 0.986 0.678 1.00 0.00 C HETATM 60 C DAB A 4 1.313 1.822 1.803 1.00 0.00 C HETATM 61 O DAB A 4 0.764 2.881 2.089 1.00 0.00 O HETATM 62 CB DAB A 4 0.954 1.682 -0.666 1.00 0.00 C HETATM 63 CG DAB A 4 2.307 1.320 -1.262 1.00 0.00 C HETATM 64 ND DAB A 4 3.241 2.463 -1.080 1.00 0.00 N HETATM 0 HG3 DAB A 4 2.705 0.429 -0.777 1.00 0.00 H new HETATM 0 HG2 DAB A 4 2.201 1.086 -2.321 1.00 0.00 H new HETATM 0 HD2 DAB A 4 4.200 2.397 -1.421 1.00 0.00 H new HETATM 0 HD1 DAB A 4 2.923 3.313 -0.614 1.00 0.00 H new HETATM 0 HB3 DAB A 4 0.168 1.412 -1.371 1.00 0.00 H new HETATM 0 HB2 DAB A 4 0.901 2.762 -0.527 1.00 0.00 H new HETATM 0 HA DAB A 4 1.111 -0.016 0.604 1.00 0.00 H new HETATM 74 N ORN A 5 2.470 1.373 2.401 1.00 0.00 N HETATM 75 CA ORN A 5 3.150 2.132 3.445 1.00 0.00 C HETATM 76 CB ORN A 5 2.620 1.733 4.831 1.00 0.00 C HETATM 77 CG ORN A 5 2.425 2.926 5.771 1.00 0.00 C HETATM 78 CD ORN A 5 2.384 2.467 7.224 1.00 0.00 C HETATM 79 NE ORN A 5 3.769 2.353 7.740 1.00 0.00 N HETATM 80 C ORN A 5 4.643 1.801 3.318 1.00 0.00 C HETATM 81 O ORN A 5 5.162 0.931 4.015 1.00 0.00 O HETATM 0 HG3 ORN A 5 3.237 3.640 5.633 1.00 0.00 H new HETATM 0 HG2 ORN A 5 1.499 3.444 5.522 1.00 0.00 H new HETATM 0 HE2 ORN A 5 3.932 2.056 8.702 1.00 0.00 H new HETATM 0 HE1 ORN A 5 4.559 2.572 7.133 1.00 0.00 H new HETATM 0 HD3 ORN A 5 1.817 3.177 7.826 1.00 0.00 H new HETATM 0 HD2 ORN A 5 1.875 1.506 7.300 1.00 0.00 H new HETATM 0 HB3 ORN A 5 1.669 1.213 4.713 1.00 0.00 H new HETATM 0 HB2 ORN A 5 3.314 1.028 5.289 1.00 0.00 H new HETATM 0 HA ORN A 5 2.976 3.202 3.334 1.00 0.00 H new HETATM 93 N DLY A 6 5.293 2.537 2.429 1.00 0.00 N HETATM 94 CA DLY A 6 6.719 2.359 2.208 1.00 0.00 C HETATM 95 C DLY A 6 6.935 1.253 1.174 1.00 0.00 C HETATM 96 O DLY A 6 6.297 1.248 0.122 1.00 0.00 O HETATM 97 CB DLY A 6 7.373 3.689 1.834 1.00 0.00 C HETATM 98 CG DLY A 6 8.897 3.556 1.781 1.00 0.00 C HETATM 99 CD DLY A 6 9.546 4.859 1.312 1.00 0.00 C HETATM 100 CE DLY A 6 10.830 4.581 0.528 1.00 0.00 C HETATM 101 NZ DLY A 6 11.974 5.294 1.137 1.00 0.00 N HETATM 0 HZ2 DLY A 6 12.904 5.209 0.728 1.00 0.00 H new HETATM 0 HZ1 DLY A 6 11.833 5.871 1.966 1.00 0.00 H new HETATM 0 HG3 DLY A 6 9.277 3.291 2.768 1.00 0.00 H new HETATM 0 HG2 DLY A 6 9.171 2.746 1.106 1.00 0.00 H new HETATM 0 HE3 DLY A 6 11.029 3.509 0.512 1.00 0.00 H new HETATM 0 HE2 DLY A 6 10.706 4.897 -0.508 1.00 0.00 H new HETATM 0 HD3 DLY A 6 8.846 5.413 0.686 1.00 0.00 H new HETATM 0 HD2 DLY A 6 9.771 5.488 2.173 1.00 0.00 H new HETATM 0 HB3 DLY A 6 7.000 4.022 0.866 1.00 0.00 H new HETATM 0 HB2 DLY A 6 7.096 4.452 2.562 1.00 0.00 H new HETATM 0 HA DLY A 6 7.211 2.037 3.126 1.00 0.00 H new ATOM 115 N ARG A 7 7.839 0.343 1.507 1.00 0.00 N ATOM 116 CA ARG A 7 8.148 -0.765 0.619 1.00 0.00 C ATOM 117 C ARG A 7 7.156 -1.910 0.833 1.00 0.00 C ATOM 118 O ARG A 7 7.360 -3.015 0.335 1.00 0.00 O ATOM 119 CB ARG A 7 9.569 -1.279 0.855 1.00 0.00 C ATOM 120 CG ARG A 7 10.448 -1.047 -0.376 1.00 0.00 C ATOM 121 CD ARG A 7 11.652 -1.990 -0.375 1.00 0.00 C ATOM 122 NE ARG A 7 12.870 -1.256 0.037 1.00 0.00 N ATOM 123 CZ ARG A 7 14.118 -1.655 -0.243 1.00 0.00 C ATOM 124 NH1 ARG A 7 14.321 -2.783 -0.937 1.00 0.00 N ATOM 125 NH2 ARG A 7 15.163 -0.925 0.170 1.00 0.00 N ATOM 0 H ARG A 7 8.367 0.350 2.379 1.00 0.00 H new ATOM 0 HA ARG A 7 8.071 -0.401 -0.405 1.00 0.00 H new ATOM 0 HB2 ARG A 7 10.004 -0.773 1.717 1.00 0.00 H new ATOM 0 HB3 ARG A 7 9.540 -2.343 1.090 1.00 0.00 H new ATOM 0 HG2 ARG A 7 9.861 -1.202 -1.281 1.00 0.00 H new ATOM 0 HG3 ARG A 7 10.792 -0.013 -0.392 1.00 0.00 H new ATOM 0 HD2 ARG A 7 11.472 -2.823 0.305 1.00 0.00 H new ATOM 0 HD3 ARG A 7 11.792 -2.415 -1.369 1.00 0.00 H new ATOM 0 HE ARG A 7 12.752 -0.393 0.567 1.00 0.00 H new ATOM 0 HH11 ARG A 7 13.525 -3.338 -1.252 1.00 0.00 H new ATOM 0 HH12 ARG A 7 15.271 -3.087 -1.150 1.00 0.00 H new ATOM 0 HH21 ARG A 7 15.008 -0.066 0.697 1.00 0.00 H new ATOM 0 HH22 ARG A 7 16.113 -1.229 -0.043 1.00 0.00 H new ATOM 139 N TRP A 8 6.102 -1.606 1.578 1.00 0.00 N ATOM 140 CA TRP A 8 5.078 -2.595 1.865 1.00 0.00 C ATOM 141 C TRP A 8 3.772 -2.123 1.223 1.00 0.00 C ATOM 142 O TRP A 8 3.681 -1.014 0.707 1.00 0.00 O ATOM 143 CB TRP A 8 4.952 -2.834 3.370 1.00 0.00 C ATOM 144 CG TRP A 8 4.189 -4.108 3.737 1.00 0.00 C ATOM 145 CD1 TRP A 8 4.593 -5.379 3.604 1.00 0.00 C ATOM 146 CD2 TRP A 8 2.865 -4.184 4.307 1.00 0.00 C ATOM 147 NE1 TRP A 8 3.630 -6.264 4.045 1.00 0.00 N ATOM 148 CE2 TRP A 8 2.547 -5.514 4.485 1.00 0.00 C ATOM 149 CE3 TRP A 8 1.966 -3.162 4.660 1.00 0.00 C ATOM 150 CZ2 TRP A 8 1.327 -5.946 5.021 1.00 0.00 C ATOM 151 CZ3 TRP A 8 0.752 -3.609 5.193 1.00 0.00 C ATOM 152 CH2 TRP A 8 0.417 -4.944 5.380 1.00 0.00 C ATOM 0 H TRP A 8 5.936 -0.688 1.991 1.00 0.00 H new ATOM 0 HA TRP A 8 5.346 -3.562 1.439 1.00 0.00 H new ATOM 0 HB2 TRP A 8 5.951 -2.883 3.804 1.00 0.00 H new ATOM 0 HB3 TRP A 8 4.449 -1.979 3.822 1.00 0.00 H new ATOM 0 HD1 TRP A 8 5.551 -5.674 3.202 1.00 0.00 H new ATOM 0 HE1 TRP A 8 3.701 -7.282 4.047 1.00 0.00 H new ATOM 0 HE3 TRP A 8 2.195 -2.115 4.530 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 1.101 -6.994 5.150 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 0.024 -2.864 5.479 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -0.542 -5.208 5.801 1.00 0.00 H new HETATM 163 N ORN A 9 2.737 -3.030 1.276 1.00 0.00 N HETATM 164 CA ORN A 9 1.422 -2.743 0.711 1.00 0.00 C HETATM 165 CB ORN A 9 1.548 -2.359 -0.772 1.00 0.00 C HETATM 166 CG ORN A 9 1.982 -3.525 -1.664 1.00 0.00 C HETATM 167 CD ORN A 9 2.697 -3.013 -2.909 1.00 0.00 C HETATM 168 NE ORN A 9 2.215 -3.762 -4.094 1.00 0.00 N HETATM 169 C ORN A 9 0.592 -4.023 0.873 1.00 0.00 C HETATM 170 O ORN A 9 1.032 -5.130 0.576 1.00 0.00 O HETATM 0 HG3 ORN A 9 2.642 -4.190 -1.107 1.00 0.00 H new HETATM 0 HG2 ORN A 9 1.110 -4.111 -1.954 1.00 0.00 H new HETATM 0 HE2 ORN A 9 2.589 -3.549 -5.019 1.00 0.00 H new HETATM 0 HE1 ORN A 9 1.509 -4.490 -3.985 1.00 0.00 H new HETATM 0 HD3 ORN A 9 2.510 -1.947 -3.037 1.00 0.00 H new HETATM 0 HD2 ORN A 9 3.775 -3.136 -2.800 1.00 0.00 H new HETATM 0 HB3 ORN A 9 0.589 -1.978 -1.124 1.00 0.00 H new HETATM 0 HB2 ORN A 9 2.269 -1.547 -0.870 1.00 0.00 H new HETATM 0 HA ORN A 9 0.947 -1.903 1.219 1.00 0.00 H new HETATM 0 H2 ORN A 9 2.823 -3.301 2.256 1.00 0.00 H new HETATM 182 N DAB A 10 -0.680 -3.818 1.353 1.00 0.00 N HETATM 183 CA DAB A 10 -1.650 -4.895 1.529 1.00 0.00 C HETATM 184 C DAB A 10 -2.895 -4.478 0.733 1.00 0.00 C HETATM 185 O DAB A 10 -3.019 -3.278 0.496 1.00 0.00 O HETATM 186 CB DAB A 10 -2.042 -5.093 3.001 1.00 0.00 C HETATM 187 CG DAB A 10 -2.720 -6.433 3.256 1.00 0.00 C HETATM 188 ND DAB A 10 -4.018 -6.198 3.941 1.00 0.00 N HETATM 0 HG3 DAB A 10 -2.881 -6.958 2.315 1.00 0.00 H new HETATM 0 HG2 DAB A 10 -2.080 -7.067 3.869 1.00 0.00 H new HETATM 0 HD2 DAB A 10 -4.613 -6.988 4.192 1.00 0.00 H new HETATM 0 HD1 DAB A 10 -4.314 -5.247 4.160 1.00 0.00 H new HETATM 0 HB3 DAB A 10 -1.150 -5.018 3.623 1.00 0.00 H new HETATM 0 HB2 DAB A 10 -2.711 -4.288 3.305 1.00 0.00 H new HETATM 0 HA DAB A 10 -1.220 -5.837 1.187 1.00 0.00 H new ATOM 198 N ALA A 11 -3.774 -5.406 0.387 1.00 0.00 N ATOM 199 CA ALA A 11 -4.992 -5.055 -0.324 1.00 0.00 C ATOM 200 C ALA A 11 -6.159 -5.008 0.663 1.00 0.00 C ATOM 201 O ALA A 11 -6.176 -5.749 1.645 1.00 0.00 O ATOM 202 CB ALA A 11 -5.227 -6.057 -1.458 1.00 0.00 C ATOM 0 H ALA A 11 -3.668 -6.401 0.586 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.902 -4.066 -0.774 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -6.140 -5.795 -1.992 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.383 -6.031 -2.148 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -5.325 -7.060 -1.043 1.00 0.00 H new ATOM 208 N LYS A 12 -7.107 -4.130 0.369 1.00 0.00 N ATOM 209 CA LYS A 12 -8.276 -3.977 1.219 1.00 0.00 C ATOM 210 C LYS A 12 -9.368 -3.234 0.447 1.00 0.00 C ATOM 211 O LYS A 12 -9.440 -2.007 0.376 1.00 0.00 O ATOM 212 CB LYS A 12 -7.893 -3.309 2.541 1.00 0.00 C ATOM 213 CG LYS A 12 -8.671 -3.919 3.709 1.00 0.00 C ATOM 214 CD LYS A 12 -7.721 -4.519 4.747 1.00 0.00 C ATOM 215 CE LYS A 12 -7.537 -6.019 4.518 1.00 0.00 C ATOM 216 NZ LYS A 12 -7.872 -6.776 5.745 1.00 0.00 N ATOM 0 H LYS A 12 -7.089 -3.517 -0.446 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.683 -4.952 1.488 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.823 -3.423 2.713 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.095 -2.239 2.484 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -9.290 -3.154 4.177 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -9.345 -4.691 3.338 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.754 -4.018 4.693 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -8.115 -4.346 5.749 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -8.173 -6.348 3.696 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -6.507 -6.225 4.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.742 -7.793 5.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -7.248 -6.474 6.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -8.862 -6.593 6.006 1.00 0.00 H new HETATM 230 N DPR A 13 -10.278 -4.032 -0.172 1.00 0.00 N HETATM 231 CA DPR A 13 -11.505 -3.485 -0.826 1.00 0.00 C HETATM 232 CB DPR A 13 -12.274 -4.794 -1.109 1.00 0.00 C HETATM 233 CG DPR A 13 -11.191 -5.840 -1.384 1.00 0.00 C HETATM 234 CD DPR A 13 -10.067 -5.474 -0.416 1.00 0.00 C HETATM 235 C DPR A 13 -11.246 -2.573 -2.080 1.00 0.00 C HETATM 236 O DPR A 13 -10.903 -3.039 -3.168 1.00 0.00 O HETATM 0 HG3 DPR A 13 -11.558 -6.851 -1.205 1.00 0.00 H new HETATM 0 HG2 DPR A 13 -10.854 -5.802 -2.420 1.00 0.00 H new HETATM 0 HD3 DPR A 13 -9.086 -5.669 -0.849 1.00 0.00 H new HETATM 0 HD2 DPR A 13 -10.129 -6.051 0.507 1.00 0.00 H new HETATM 0 HB3 DPR A 13 -12.892 -5.080 -0.258 1.00 0.00 H new HETATM 0 HB2 DPR A 13 -12.941 -4.683 -1.964 1.00 0.00 H new HETATM 0 HA DPR A 13 -12.055 -2.771 -0.214 1.00 0.00 H new ATOM 244 N PRO A 14 -11.447 -1.251 -1.911 1.00 0.00 N ATOM 245 CA PRO A 14 -11.423 -0.298 -3.053 1.00 0.00 C ATOM 246 C PRO A 14 -10.024 0.099 -3.637 1.00 0.00 C ATOM 247 O PRO A 14 -9.886 1.103 -4.328 1.00 0.00 O ATOM 248 CB PRO A 14 -12.241 0.875 -2.469 1.00 0.00 C ATOM 249 CG PRO A 14 -12.067 0.791 -0.946 1.00 0.00 C ATOM 250 CD PRO A 14 -11.986 -0.707 -0.652 1.00 0.00 C ATOM 0 HA PRO A 14 -11.832 -0.736 -3.964 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -11.882 1.830 -2.851 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -13.292 0.795 -2.747 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -11.165 1.309 -0.620 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -12.905 1.253 -0.425 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -11.333 -0.920 0.194 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -12.963 -1.127 -0.414 1.00 0.00 H new TER 258 PRO A 14