USER MOD reduce.3.24.130724 H: found=0, std=0, add=127, rem=0, adj=3 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+ 151:sc= 0.109 (180deg=-0.0155) USER MOD Single : A 1 THR OG1 : rot -160:sc= -3.17! USER MOD Single : A 12 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.124) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -9.361 -0.594 -2.835 1.00 0.00 N ATOM 2 CA THR A 1 -8.250 0.272 -2.481 1.00 0.00 C ATOM 3 C THR A 1 -6.994 -0.556 -2.203 1.00 0.00 C ATOM 4 O THR A 1 -6.999 -1.774 -2.378 1.00 0.00 O ATOM 5 CB THR A 1 -8.683 1.135 -1.294 1.00 0.00 C ATOM 6 OG1 THR A 1 -9.982 1.596 -1.655 1.00 0.00 O ATOM 7 CG2 THR A 1 -7.856 2.417 -1.169 1.00 0.00 C ATOM 0 H3 THR A 1 -10.255 -0.146 -2.550 1.00 0.00 H new ATOM 0 HA THR A 1 -7.988 0.935 -3.306 1.00 0.00 H new ATOM 0 HB THR A 1 -8.597 0.556 -0.375 1.00 0.00 H new ATOM 0 HG1 THR A 1 -10.207 2.389 -1.125 1.00 0.00 H new ATOM 0 HG21 THR A 1 -8.204 2.992 -0.311 1.00 0.00 H new ATOM 0 HG22 THR A 1 -6.806 2.160 -1.032 1.00 0.00 H new ATOM 0 HG23 THR A 1 -7.968 3.012 -2.075 1.00 0.00 H new ATOM 15 N TRP A 2 -5.950 0.136 -1.773 1.00 0.00 N ATOM 16 CA TRP A 2 -4.690 -0.521 -1.468 1.00 0.00 C ATOM 17 C TRP A 2 -3.928 0.356 -0.473 1.00 0.00 C ATOM 18 O TRP A 2 -4.059 1.579 -0.490 1.00 0.00 O ATOM 19 CB TRP A 2 -3.897 -0.805 -2.745 1.00 0.00 C ATOM 20 CG TRP A 2 -4.081 -2.222 -3.291 1.00 0.00 C ATOM 21 CD1 TRP A 2 -5.114 -2.707 -3.994 1.00 0.00 C ATOM 22 CD2 TRP A 2 -3.161 -3.324 -3.150 1.00 0.00 C ATOM 23 NE1 TRP A 2 -4.927 -4.037 -4.315 1.00 0.00 N ATOM 24 CE2 TRP A 2 -3.701 -4.423 -3.785 1.00 0.00 C ATOM 25 CE3 TRP A 2 -1.912 -3.390 -2.507 1.00 0.00 C ATOM 26 CZ2 TRP A 2 -3.063 -5.668 -3.838 1.00 0.00 C ATOM 27 CZ3 TRP A 2 -1.287 -4.642 -2.570 1.00 0.00 C ATOM 28 CH2 TRP A 2 -1.819 -5.757 -3.205 1.00 0.00 C ATOM 0 H TRP A 2 -5.950 1.146 -1.628 1.00 0.00 H new ATOM 0 HA TRP A 2 -4.864 -1.495 -1.011 1.00 0.00 H new ATOM 0 HB2 TRP A 2 -4.195 -0.090 -3.512 1.00 0.00 H new ATOM 0 HB3 TRP A 2 -2.838 -0.638 -2.547 1.00 0.00 H new ATOM 0 HD1 TRP A 2 -5.983 -2.130 -4.274 1.00 0.00 H new ATOM 0 HE1 TRP A 2 -5.570 -4.627 -4.843 1.00 0.00 H new ATOM 0 HE3 TRP A 2 -1.470 -2.543 -2.004 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 -3.508 -6.514 -4.341 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 -0.325 -4.748 -2.092 1.00 0.00 H new ATOM 0 HH2 TRP A 2 -1.274 -6.689 -3.210 1.00 0.00 H new ATOM 39 N LEU A 3 -3.147 -0.304 0.371 1.00 0.00 N ATOM 40 CA LEU A 3 -2.363 0.401 1.371 1.00 0.00 C ATOM 41 C LEU A 3 -0.941 0.607 0.847 1.00 0.00 C ATOM 42 O LEU A 3 -0.352 -0.270 0.222 1.00 0.00 O ATOM 43 CB LEU A 3 -2.424 -0.332 2.713 1.00 0.00 C ATOM 44 CG LEU A 3 -1.216 -0.147 3.633 1.00 0.00 C ATOM 45 CD1 LEU A 3 -0.947 1.336 3.895 1.00 0.00 C ATOM 46 CD2 LEU A 3 -1.391 -0.936 4.932 1.00 0.00 C ATOM 0 H LEU A 3 -3.041 -1.318 0.383 1.00 0.00 H new ATOM 0 HA LEU A 3 -2.781 1.391 1.555 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -3.315 -0.000 3.245 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -2.547 -1.397 2.517 1.00 0.00 H new ATOM 0 HG LEU A 3 -0.338 -0.548 3.128 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -0.083 1.439 4.552 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -0.747 1.842 2.950 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -1.819 1.786 4.370 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -0.519 -0.787 5.568 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -2.283 -0.587 5.452 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.496 -1.996 4.702 1.00 0.00 H new HETATM 58 N DAB A 4 -0.389 1.834 1.129 1.00 0.00 N HETATM 59 CA DAB A 4 0.969 2.208 0.742 1.00 0.00 C HETATM 60 C DAB A 4 1.699 2.559 2.047 1.00 0.00 C HETATM 61 O DAB A 4 1.396 3.615 2.593 1.00 0.00 O HETATM 62 CB DAB A 4 0.995 3.429 -0.189 1.00 0.00 C HETATM 63 CG DAB A 4 0.994 3.049 -1.663 1.00 0.00 C HETATM 64 ND DAB A 4 2.097 3.769 -2.353 1.00 0.00 N HETATM 0 HG3 DAB A 4 1.121 1.972 -1.774 1.00 0.00 H new HETATM 0 HG2 DAB A 4 0.036 3.305 -2.116 1.00 0.00 H new HETATM 0 HD2 DAB A 4 2.247 3.634 -3.353 1.00 0.00 H new HETATM 0 HD1 DAB A 4 2.703 4.398 -1.826 1.00 0.00 H new HETATM 0 HB3 DAB A 4 0.129 4.057 0.020 1.00 0.00 H new HETATM 0 HB2 DAB A 4 1.881 4.026 0.027 1.00 0.00 H new HETATM 0 HA DAB A 4 1.437 1.387 0.198 1.00 0.00 H new HETATM 74 N ORN A 5 2.675 1.708 2.512 1.00 0.00 N HETATM 75 CA ORN A 5 3.447 1.995 3.717 1.00 0.00 C HETATM 76 CB ORN A 5 2.830 1.282 4.931 1.00 0.00 C HETATM 77 CG ORN A 5 2.886 2.114 6.215 1.00 0.00 C HETATM 78 CD ORN A 5 1.564 2.033 6.968 1.00 0.00 C HETATM 79 NE ORN A 5 1.587 0.861 7.875 1.00 0.00 N HETATM 80 C ORN A 5 4.869 1.486 3.453 1.00 0.00 C HETATM 81 O ORN A 5 5.230 0.377 3.842 1.00 0.00 O HETATM 0 HG3 ORN A 5 3.695 1.756 6.851 1.00 0.00 H new HETATM 0 HG2 ORN A 5 3.108 3.153 5.972 1.00 0.00 H new HETATM 0 HE2 ORN A 5 0.778 0.653 8.460 1.00 0.00 H new HETATM 0 HE1 ORN A 5 2.412 0.262 7.914 1.00 0.00 H new HETATM 0 HD3 ORN A 5 1.402 2.947 7.540 1.00 0.00 H new HETATM 0 HD2 ORN A 5 0.736 1.946 6.264 1.00 0.00 H new HETATM 0 HB3 ORN A 5 1.791 1.037 4.710 1.00 0.00 H new HETATM 0 HB2 ORN A 5 3.352 0.339 5.094 1.00 0.00 H new HETATM 0 HA ORN A 5 3.450 3.062 3.941 1.00 0.00 H new HETATM 93 N DLY A 6 5.645 2.342 2.805 1.00 0.00 N HETATM 94 CA DLY A 6 7.027 2.016 2.498 1.00 0.00 C HETATM 95 C DLY A 6 7.064 0.938 1.412 1.00 0.00 C HETATM 96 O DLY A 6 6.372 1.046 0.402 1.00 0.00 O HETATM 97 CB DLY A 6 7.809 3.281 2.135 1.00 0.00 C HETATM 98 CG DLY A 6 8.918 3.552 3.154 1.00 0.00 C HETATM 99 CD DLY A 6 9.077 5.052 3.403 1.00 0.00 C HETATM 100 CE DLY A 6 10.461 5.369 3.976 1.00 0.00 C HETATM 101 NZ DLY A 6 10.534 6.783 4.403 1.00 0.00 N HETATM 0 HZ2 DLY A 6 11.395 7.150 4.808 1.00 0.00 H new HETATM 0 HZ1 DLY A 6 9.723 7.392 4.293 1.00 0.00 H new HETATM 0 HG3 DLY A 6 8.687 3.046 4.092 1.00 0.00 H new HETATM 0 HG2 DLY A 6 9.859 3.138 2.792 1.00 0.00 H new HETATM 0 HE3 DLY A 6 10.668 4.716 4.824 1.00 0.00 H new HETATM 0 HE2 DLY A 6 11.226 5.170 3.226 1.00 0.00 H new HETATM 0 HD3 DLY A 6 8.932 5.597 2.470 1.00 0.00 H new HETATM 0 HD2 DLY A 6 8.306 5.393 4.094 1.00 0.00 H new HETATM 0 HB3 DLY A 6 8.243 3.172 1.141 1.00 0.00 H new HETATM 0 HB2 DLY A 6 7.131 4.133 2.095 1.00 0.00 H new HETATM 0 HA DLY A 6 7.524 1.602 3.376 1.00 0.00 H new ATOM 115 N ARG A 7 7.878 -0.078 1.660 1.00 0.00 N ATOM 116 CA ARG A 7 8.014 -1.174 0.718 1.00 0.00 C ATOM 117 C ARG A 7 6.911 -2.210 0.946 1.00 0.00 C ATOM 118 O ARG A 7 6.975 -3.318 0.415 1.00 0.00 O ATOM 119 CB ARG A 7 9.378 -1.853 0.854 1.00 0.00 C ATOM 120 CG ARG A 7 10.266 -1.550 -0.354 1.00 0.00 C ATOM 121 CD ARG A 7 11.578 -2.332 -0.280 1.00 0.00 C ATOM 122 NE ARG A 7 11.391 -3.692 -0.832 1.00 0.00 N ATOM 123 CZ ARG A 7 11.008 -4.751 -0.106 1.00 0.00 C ATOM 124 NH1 ARG A 7 10.772 -4.614 1.206 1.00 0.00 N ATOM 125 NH2 ARG A 7 10.863 -5.948 -0.691 1.00 0.00 N ATOM 0 H ARG A 7 8.450 -0.164 2.500 1.00 0.00 H new ATOM 0 HA ARG A 7 7.927 -0.760 -0.286 1.00 0.00 H new ATOM 0 HB2 ARG A 7 9.869 -1.511 1.765 1.00 0.00 H new ATOM 0 HB3 ARG A 7 9.244 -2.930 0.950 1.00 0.00 H new ATOM 0 HG2 ARG A 7 9.737 -1.806 -1.272 1.00 0.00 H new ATOM 0 HG3 ARG A 7 10.477 -0.481 -0.396 1.00 0.00 H new ATOM 0 HD2 ARG A 7 12.354 -1.808 -0.838 1.00 0.00 H new ATOM 0 HD3 ARG A 7 11.915 -2.394 0.755 1.00 0.00 H new ATOM 0 HE ARG A 7 11.564 -3.832 -1.827 1.00 0.00 H new ATOM 0 HH11 ARG A 7 10.884 -3.704 1.652 1.00 0.00 H new ATOM 0 HH12 ARG A 7 10.480 -5.420 1.759 1.00 0.00 H new ATOM 0 HH21 ARG A 7 11.044 -6.053 -1.689 1.00 0.00 H new ATOM 0 HH22 ARG A 7 10.571 -6.754 -0.138 1.00 0.00 H new ATOM 139 N TRP A 8 5.924 -1.813 1.735 1.00 0.00 N ATOM 140 CA TRP A 8 4.809 -2.693 2.040 1.00 0.00 C ATOM 141 C TRP A 8 3.568 -2.147 1.331 1.00 0.00 C ATOM 142 O TRP A 8 3.546 -1.007 0.876 1.00 0.00 O ATOM 143 CB TRP A 8 4.620 -2.835 3.552 1.00 0.00 C ATOM 144 CG TRP A 8 4.030 -4.180 3.981 1.00 0.00 C ATOM 145 CD1 TRP A 8 4.628 -5.379 3.989 1.00 0.00 C ATOM 146 CD2 TRP A 8 2.691 -4.415 4.468 1.00 0.00 C ATOM 147 NE1 TRP A 8 3.777 -6.365 4.445 1.00 0.00 N ATOM 148 CE2 TRP A 8 2.562 -5.761 4.745 1.00 0.00 C ATOM 149 CE3 TRP A 8 1.626 -3.520 4.669 1.00 0.00 C ATOM 150 CZ2 TRP A 8 1.383 -6.332 5.238 1.00 0.00 C ATOM 151 CZ3 TRP A 8 0.454 -4.106 5.162 1.00 0.00 C ATOM 152 CH2 TRP A 8 0.308 -5.459 5.445 1.00 0.00 C ATOM 0 H TRP A 8 5.873 -0.893 2.173 1.00 0.00 H new ATOM 0 HA TRP A 8 5.003 -3.702 1.675 1.00 0.00 H new ATOM 0 HB2 TRP A 8 5.584 -2.699 4.043 1.00 0.00 H new ATOM 0 HB3 TRP A 8 3.968 -2.035 3.903 1.00 0.00 H new ATOM 0 HD1 TRP A 8 5.648 -5.552 3.678 1.00 0.00 H new ATOM 0 HE1 TRP A 8 3.999 -7.356 4.544 1.00 0.00 H new ATOM 0 HE3 TRP A 8 1.706 -2.463 4.460 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 1.307 -7.389 5.447 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -0.396 -3.462 5.334 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -0.631 -5.835 5.823 1.00 0.00 H new HETATM 163 N ORN A 9 2.509 -3.023 1.252 1.00 0.00 N HETATM 164 CA ORN A 9 1.250 -2.666 0.609 1.00 0.00 C HETATM 165 CB ORN A 9 1.501 -2.167 -0.823 1.00 0.00 C HETATM 166 CG ORN A 9 2.056 -3.250 -1.752 1.00 0.00 C HETATM 167 CD ORN A 9 3.212 -2.708 -2.584 1.00 0.00 C HETATM 168 NE ORN A 9 4.458 -3.423 -2.216 1.00 0.00 N HETATM 169 C ORN A 9 0.392 -3.937 0.598 1.00 0.00 C HETATM 170 O ORN A 9 0.629 -4.882 -0.148 1.00 0.00 O HETATM 0 HG3 ORN A 9 2.394 -4.103 -1.163 1.00 0.00 H new HETATM 0 HG2 ORN A 9 1.266 -3.611 -2.410 1.00 0.00 H new HETATM 0 HE2 ORN A 9 5.337 -3.187 -2.677 1.00 0.00 H new HETATM 0 HE1 ORN A 9 4.436 -4.151 -1.502 1.00 0.00 H new HETATM 0 HD3 ORN A 9 3.004 -2.839 -3.646 1.00 0.00 H new HETATM 0 HD2 ORN A 9 3.329 -1.638 -2.412 1.00 0.00 H new HETATM 0 HB3 ORN A 9 0.567 -1.786 -1.237 1.00 0.00 H new HETATM 0 HB2 ORN A 9 2.200 -1.331 -0.792 1.00 0.00 H new HETATM 0 HA ORN A 9 0.747 -1.860 1.144 1.00 0.00 H new HETATM 0 H2 ORN A 9 2.511 -3.373 2.210 1.00 0.00 H new HETATM 182 N DAB A 10 -0.667 -3.915 1.476 1.00 0.00 N HETATM 183 CA DAB A 10 -1.637 -5.000 1.584 1.00 0.00 C HETATM 184 C DAB A 10 -2.910 -4.503 0.884 1.00 0.00 C HETATM 185 O DAB A 10 -3.209 -3.324 1.060 1.00 0.00 O HETATM 186 CB DAB A 10 -1.973 -5.340 3.045 1.00 0.00 C HETATM 187 CG DAB A 10 -2.563 -4.160 3.805 1.00 0.00 C HETATM 188 ND DAB A 10 -4.042 -4.306 3.859 1.00 0.00 N HETATM 0 HG3 DAB A 10 -2.152 -4.119 4.814 1.00 0.00 H new HETATM 0 HG2 DAB A 10 -2.295 -3.225 3.314 1.00 0.00 H new HETATM 0 HD2 DAB A 10 -4.607 -3.601 4.333 1.00 0.00 H new HETATM 0 HD1 DAB A 10 -4.491 -5.111 3.422 1.00 0.00 H new HETATM 0 HB3 DAB A 10 -2.679 -6.170 3.067 1.00 0.00 H new HETATM 0 HB2 DAB A 10 -1.069 -5.677 3.552 1.00 0.00 H new HETATM 0 HA DAB A 10 -1.227 -5.905 1.134 1.00 0.00 H new ATOM 198 N ALA A 11 -3.627 -5.362 0.175 1.00 0.00 N ATOM 199 CA ALA A 11 -4.864 -4.953 -0.468 1.00 0.00 C ATOM 200 C ALA A 11 -5.991 -4.936 0.568 1.00 0.00 C ATOM 201 O ALA A 11 -5.945 -5.674 1.551 1.00 0.00 O ATOM 202 CB ALA A 11 -5.164 -5.887 -1.641 1.00 0.00 C ATOM 0 H ALA A 11 -3.375 -6.340 0.032 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.771 -3.945 -0.871 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -6.092 -5.579 -2.123 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.348 -5.839 -2.362 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -5.266 -6.909 -1.276 1.00 0.00 H new ATOM 208 N LYS A 12 -6.975 -4.088 0.310 1.00 0.00 N ATOM 209 CA LYS A 12 -8.111 -3.966 1.208 1.00 0.00 C ATOM 210 C LYS A 12 -9.300 -3.378 0.443 1.00 0.00 C ATOM 211 O LYS A 12 -9.492 -2.170 0.302 1.00 0.00 O ATOM 212 CB LYS A 12 -7.726 -3.167 2.455 1.00 0.00 C ATOM 213 CG LYS A 12 -8.253 -3.841 3.722 1.00 0.00 C ATOM 214 CD LYS A 12 -9.761 -3.635 3.868 1.00 0.00 C ATOM 215 CE LYS A 12 -10.143 -3.390 5.329 1.00 0.00 C ATOM 216 NZ LYS A 12 -9.727 -4.533 6.173 1.00 0.00 N ATOM 0 H LYS A 12 -7.010 -3.479 -0.507 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.418 -4.948 1.569 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.641 -3.075 2.512 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.128 -2.156 2.382 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -8.030 -4.907 3.690 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -7.741 -3.434 4.594 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -10.076 -2.788 3.259 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -10.289 -4.511 3.493 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -9.670 -2.475 5.686 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -11.220 -3.244 5.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -10.139 -4.432 7.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -10.059 -5.420 5.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -8.690 -4.551 6.246 1.00 0.00 H new HETATM 230 N DPR A 13 -10.153 -4.296 -0.086 1.00 0.00 N HETATM 231 CA DPR A 13 -11.450 -3.909 -0.716 1.00 0.00 C HETATM 232 CB DPR A 13 -12.039 -5.305 -1.016 1.00 0.00 C HETATM 233 CG DPR A 13 -10.827 -6.189 -1.324 1.00 0.00 C HETATM 234 CD DPR A 13 -9.750 -5.693 -0.360 1.00 0.00 C HETATM 235 C DPR A 13 -11.334 -2.947 -1.954 1.00 0.00 C HETATM 236 O DPR A 13 -10.979 -3.350 -3.063 1.00 0.00 O HETATM 0 HG3 DPR A 13 -11.051 -7.243 -1.163 1.00 0.00 H new HETATM 0 HG2 DPR A 13 -10.511 -6.085 -2.362 1.00 0.00 H new HETATM 0 HD3 DPR A 13 -8.757 -5.745 -0.806 1.00 0.00 H new HETATM 0 HD2 DPR A 13 -9.721 -6.289 0.552 1.00 0.00 H new HETATM 0 HB3 DPR A 13 -12.600 -5.688 -0.164 1.00 0.00 H new HETATM 0 HB2 DPR A 13 -12.727 -5.270 -1.861 1.00 0.00 H new HETATM 0 HA DPR A 13 -12.084 -3.287 -0.084 1.00 0.00 H new ATOM 244 N PRO A 14 -11.669 -1.659 -1.746 1.00 0.00 N ATOM 245 CA PRO A 14 -11.787 -0.685 -2.865 1.00 0.00 C ATOM 246 C PRO A 14 -10.459 -0.127 -3.482 1.00 0.00 C ATOM 247 O PRO A 14 -10.449 0.914 -4.130 1.00 0.00 O ATOM 248 CB PRO A 14 -12.704 0.381 -2.225 1.00 0.00 C ATOM 249 CG PRO A 14 -12.469 0.284 -0.711 1.00 0.00 C ATOM 250 CD PRO A 14 -12.219 -1.204 -0.458 1.00 0.00 C ATOM 0 HA PRO A 14 -12.178 -1.145 -3.772 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -12.462 1.377 -2.595 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -13.750 0.195 -2.471 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -11.616 0.888 -0.402 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -13.333 0.642 -0.151 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -11.518 -1.364 0.362 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -13.137 -1.732 -0.200 1.00 0.00 H new TER 258 PRO A 14