USER MOD reduce.3.24.130724 H: found=0, std=0, add=161, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 162 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 2 LYS NZ :NH3+ 152:sc= -0.164 (180deg=-1.12) USER MOD Single : A 5 ASN :FLIP amide:sc= -1.52 F(o=-3.2!,f=-1.5) USER MOD Single : A 6 LYS NZ :NH3+ -169:sc= -3.95! (180deg=-4.57!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 17 N LYS A 2 5.250 1.881 -2.642 1.00 0.00 N ATOM 18 CA LYS A 2 6.404 1.367 -1.908 1.00 0.00 C ATOM 19 C LYS A 2 6.282 1.676 -0.411 1.00 0.00 C ATOM 20 O LYS A 2 6.458 2.823 0.001 1.00 0.00 O ATOM 21 CB LYS A 2 7.692 1.998 -2.455 1.00 0.00 C ATOM 22 CG LYS A 2 7.763 1.819 -3.978 1.00 0.00 C ATOM 23 CD LYS A 2 7.452 3.153 -4.669 1.00 0.00 C ATOM 24 CE LYS A 2 8.263 3.273 -5.965 1.00 0.00 C ATOM 25 NZ LYS A 2 8.286 1.958 -6.668 1.00 0.00 N1+ ATOM 0 HA LYS A 2 6.438 0.286 -2.040 1.00 0.00 H new ATOM 0 HB2 LYS A 2 7.721 3.058 -2.204 1.00 0.00 H new ATOM 0 HB3 LYS A 2 8.560 1.535 -1.986 1.00 0.00 H new ATOM 0 HG2 LYS A 2 8.754 1.471 -4.267 1.00 0.00 H new ATOM 0 HG3 LYS A 2 7.052 1.058 -4.298 1.00 0.00 H new ATOM 0 HD2 LYS A 2 6.387 3.218 -4.890 1.00 0.00 H new ATOM 0 HD3 LYS A 2 7.691 3.982 -4.003 1.00 0.00 H new ATOM 0 HE2 LYS A 2 7.824 4.034 -6.611 1.00 0.00 H new ATOM 0 HE3 LYS A 2 9.280 3.594 -5.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 8.390 2.113 -7.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 9.086 1.392 -6.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 7.397 1.450 -6.484 1.00 0.00 H new ATOM 39 N ILE A 3 5.971 0.661 0.392 1.00 0.00 N ATOM 40 CA ILE A 3 5.823 0.865 1.829 1.00 0.00 C ATOM 41 C ILE A 3 7.183 0.962 2.516 1.00 0.00 C ATOM 42 O ILE A 3 8.224 1.019 1.860 1.00 0.00 O ATOM 43 CB ILE A 3 5.005 -0.268 2.457 1.00 0.00 C ATOM 44 CG1 ILE A 3 5.501 -1.632 1.953 1.00 0.00 C ATOM 45 CG2 ILE A 3 3.535 -0.094 2.091 1.00 0.00 C ATOM 46 CD1 ILE A 3 4.876 -1.974 0.587 1.00 0.00 C ATOM 0 H ILE A 3 5.819 -0.297 0.077 1.00 0.00 H new ATOM 0 HA ILE A 3 5.294 1.807 1.973 1.00 0.00 H new ATOM 0 HB ILE A 3 5.124 -0.230 3.540 1.00 0.00 H new ATOM 0 HG12 ILE A 3 6.588 -1.619 1.867 1.00 0.00 H new ATOM 0 HG13 ILE A 3 5.247 -2.406 2.677 1.00 0.00 H new ATOM 0 HG21 ILE A 3 2.951 -0.899 2.537 1.00 0.00 H new ATOM 0 HG22 ILE A 3 3.177 0.865 2.467 1.00 0.00 H new ATOM 0 HG23 ILE A 3 3.424 -0.123 1.007 1.00 0.00 H new ATOM 0 HD11 ILE A 3 5.243 -2.944 0.252 1.00 0.00 H new ATOM 0 HD12 ILE A 3 3.791 -2.009 0.682 1.00 0.00 H new ATOM 0 HD13 ILE A 3 5.152 -1.211 -0.141 1.00 0.00 H new ATOM 58 N LEU A 4 7.153 0.990 3.846 1.00 0.00 N ATOM 59 CA LEU A 4 8.368 1.113 4.653 1.00 0.00 C ATOM 60 C LEU A 4 9.419 0.079 4.280 1.00 0.00 C ATOM 61 O LEU A 4 10.598 0.404 4.135 1.00 0.00 O ATOM 62 CB LEU A 4 7.992 0.915 6.124 1.00 0.00 C ATOM 63 CG LEU A 4 6.754 0.012 6.218 1.00 0.00 C ATOM 64 CD1 LEU A 4 6.828 -0.827 7.490 1.00 0.00 C ATOM 65 CD2 LEU A 4 5.487 0.874 6.245 1.00 0.00 C ATOM 0 H LEU A 4 6.294 0.929 4.393 1.00 0.00 H new ATOM 0 HA LEU A 4 8.793 2.100 4.472 1.00 0.00 H new ATOM 0 HB2 LEU A 4 8.825 0.467 6.666 1.00 0.00 H new ATOM 0 HB3 LEU A 4 7.789 1.878 6.592 1.00 0.00 H new ATOM 0 HG LEU A 4 6.723 -0.647 5.351 1.00 0.00 H new ATOM 0 HD11 LEU A 4 5.948 -1.467 7.555 1.00 0.00 H new ATOM 0 HD12 LEU A 4 7.726 -1.445 7.467 1.00 0.00 H new ATOM 0 HD13 LEU A 4 6.863 -0.169 8.358 1.00 0.00 H new ATOM 0 HD21 LEU A 4 4.610 0.230 6.312 1.00 0.00 H new ATOM 0 HD22 LEU A 4 5.517 1.537 7.109 1.00 0.00 H new ATOM 0 HD23 LEU A 4 5.432 1.469 5.333 1.00 0.00 H new ATOM 77 N ASN A 5 8.994 -1.159 4.119 1.00 0.00 N ATOM 78 CA ASN A 5 9.929 -2.224 3.765 1.00 0.00 C ATOM 79 C ASN A 5 10.629 -1.885 2.463 1.00 0.00 C ATOM 80 O ASN A 5 11.819 -2.144 2.291 1.00 0.00 O ATOM 81 CB ASN A 5 9.202 -3.566 3.617 1.00 0.00 C ATOM 82 CG ASN A 5 7.908 -3.552 4.418 1.00 0.00 C ATOM 83 OD1 ASN A 5 6.765 -3.581 3.798 1.00 0.00 O flip ATOM 84 ND2 ASN A 5 7.940 -3.495 5.646 1.00 0.00 N flip ATOM 0 H ASN A 5 8.024 -1.456 4.224 1.00 0.00 H new ATOM 0 HA ASN A 5 10.663 -2.311 4.566 1.00 0.00 H new ATOM 0 HB2 ASN A 5 8.986 -3.757 2.566 1.00 0.00 H new ATOM 0 HB3 ASN A 5 9.844 -4.376 3.963 1.00 0.00 H new ATOM 0 HD21 ASN A 5 8.836 -3.472 6.132 1.00 0.00 H new ATOM 0 HD22 ASN A 5 7.070 -3.470 6.178 1.00 0.00 H new ATOM 91 N LYS A 6 9.881 -1.300 1.541 1.00 0.00 N ATOM 92 CA LYS A 6 10.443 -0.924 0.256 1.00 0.00 C ATOM 93 C LYS A 6 11.476 0.182 0.443 1.00 0.00 C ATOM 94 O LYS A 6 12.566 0.119 -0.130 1.00 0.00 O ATOM 95 CB LYS A 6 9.339 -0.458 -0.687 1.00 0.00 C ATOM 96 CG LYS A 6 8.192 -1.494 -0.727 1.00 0.00 C ATOM 97 CD LYS A 6 8.721 -2.940 -0.570 1.00 0.00 C ATOM 98 CE LYS A 6 9.436 -3.423 -1.851 1.00 0.00 C ATOM 99 NZ LYS A 6 9.631 -2.299 -2.814 1.00 0.00 N1+ ATOM 0 H LYS A 6 8.892 -1.077 1.657 1.00 0.00 H new ATOM 0 HA LYS A 6 10.932 -1.794 -0.183 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.954 0.507 -0.358 1.00 0.00 H new ATOM 0 HB3 LYS A 6 9.744 -0.315 -1.689 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.479 -1.279 0.069 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.653 -1.404 -1.670 1.00 0.00 H new ATOM 0 HD2 LYS A 6 9.411 -2.987 0.273 1.00 0.00 H new ATOM 0 HD3 LYS A 6 7.892 -3.609 -0.341 1.00 0.00 H new ATOM 0 HE2 LYS A 6 10.402 -3.855 -1.591 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.851 -4.212 -2.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 9.940 -2.678 -3.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 8.734 -1.786 -2.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 10.355 -1.649 -2.447 1.00 0.00 H new ATOM 113 N ILE A 7 11.143 1.184 1.258 1.00 0.00 N ATOM 114 CA ILE A 7 12.090 2.265 1.504 1.00 0.00 C ATOM 115 C ILE A 7 13.370 1.654 2.049 1.00 0.00 C ATOM 116 O ILE A 7 14.478 2.042 1.671 1.00 0.00 O ATOM 117 CB ILE A 7 11.532 3.290 2.507 1.00 0.00 C ATOM 118 CG1 ILE A 7 10.009 3.385 2.400 1.00 0.00 C ATOM 119 CG2 ILE A 7 12.129 4.664 2.212 1.00 0.00 C ATOM 120 CD1 ILE A 7 9.596 3.611 0.946 1.00 0.00 C ATOM 0 H ILE A 7 10.251 1.268 1.745 1.00 0.00 H new ATOM 0 HA ILE A 7 12.278 2.795 0.570 1.00 0.00 H new ATOM 0 HB ILE A 7 11.798 2.965 3.513 1.00 0.00 H new ATOM 0 HG12 ILE A 7 9.553 2.470 2.777 1.00 0.00 H new ATOM 0 HG13 ILE A 7 9.644 4.203 3.021 1.00 0.00 H new ATOM 0 HG21 ILE A 7 11.735 5.392 2.921 1.00 0.00 H new ATOM 0 HG22 ILE A 7 13.214 4.617 2.305 1.00 0.00 H new ATOM 0 HG23 ILE A 7 11.865 4.966 1.198 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.510 3.677 0.882 1.00 0.00 H new ATOM 0 HD12 ILE A 7 10.038 4.539 0.582 1.00 0.00 H new ATOM 0 HD13 ILE A 7 9.945 2.779 0.335 1.00 0.00 H new ATOM 132 N LEU A 8 13.193 0.661 2.912 1.00 0.00 N ATOM 133 CA LEU A 8 14.328 -0.048 3.490 1.00 0.00 C ATOM 134 C LEU A 8 15.193 -0.586 2.361 1.00 0.00 C ATOM 135 O LEU A 8 16.421 -0.470 2.382 1.00 0.00 O ATOM 136 CB LEU A 8 13.853 -1.214 4.365 1.00 0.00 C ATOM 137 CG LEU A 8 14.249 -0.974 5.823 1.00 0.00 C ATOM 138 CD1 LEU A 8 15.765 -0.768 5.923 1.00 0.00 C ATOM 139 CD2 LEU A 8 13.516 0.265 6.347 1.00 0.00 C ATOM 0 H LEU A 8 12.281 0.330 3.226 1.00 0.00 H new ATOM 0 HA LEU A 8 14.898 0.641 4.113 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.771 -1.320 4.287 1.00 0.00 H new ATOM 0 HB3 LEU A 8 14.291 -2.147 4.010 1.00 0.00 H new ATOM 0 HG LEU A 8 13.972 -1.840 6.424 1.00 0.00 H new ATOM 0 HD11 LEU A 8 16.041 -0.598 6.964 1.00 0.00 H new ATOM 0 HD12 LEU A 8 16.278 -1.655 5.552 1.00 0.00 H new ATOM 0 HD13 LEU A 8 16.055 0.096 5.324 1.00 0.00 H new ATOM 0 HD21 LEU A 8 13.795 0.440 7.386 1.00 0.00 H new ATOM 0 HD22 LEU A 8 13.791 1.132 5.746 1.00 0.00 H new ATOM 0 HD23 LEU A 8 12.440 0.106 6.282 1.00 0.00 H new ATOM 151 N GLY A 9 14.527 -1.156 1.363 1.00 0.00 N ATOM 152 CA GLY A 9 15.219 -1.694 0.207 1.00 0.00 C ATOM 153 C GLY A 9 16.073 -0.613 -0.442 1.00 0.00 C ATOM 154 O GLY A 9 17.144 -0.899 -0.980 1.00 0.00 O ATOM 0 H GLY A 9 13.512 -1.255 1.335 1.00 0.00 H new ATOM 0 HA2 GLY A 9 15.847 -2.533 0.507 1.00 0.00 H new ATOM 0 HA3 GLY A 9 14.496 -2.078 -0.513 1.00 0.00 H new ATOM 158 N LYS A 10 15.603 0.638 -0.380 1.00 0.00 N ATOM 159 CA LYS A 10 16.351 1.748 -0.957 1.00 0.00 C ATOM 160 C LYS A 10 17.615 1.970 -0.147 1.00 0.00 C ATOM 161 O LYS A 10 18.696 2.156 -0.702 1.00 0.00 O ATOM 162 CB LYS A 10 15.518 3.036 -0.954 1.00 0.00 C ATOM 163 CG LYS A 10 14.162 2.780 -1.613 1.00 0.00 C ATOM 164 CD LYS A 10 13.281 4.026 -1.482 1.00 0.00 C ATOM 165 CE LYS A 10 13.559 4.987 -2.642 1.00 0.00 C ATOM 166 NZ LYS A 10 12.784 4.565 -3.840 1.00 0.00 N1+ ATOM 0 H LYS A 10 14.720 0.900 0.059 1.00 0.00 H new ATOM 0 HA LYS A 10 16.598 1.499 -1.989 1.00 0.00 H new ATOM 0 HB2 LYS A 10 15.375 3.385 0.069 1.00 0.00 H new ATOM 0 HB3 LYS A 10 16.049 3.824 -1.488 1.00 0.00 H new ATOM 0 HG2 LYS A 10 14.300 2.529 -2.665 1.00 0.00 H new ATOM 0 HG3 LYS A 10 13.674 1.926 -1.143 1.00 0.00 H new ATOM 0 HD2 LYS A 10 12.229 3.740 -1.480 1.00 0.00 H new ATOM 0 HD3 LYS A 10 13.478 4.523 -0.532 1.00 0.00 H new ATOM 0 HE2 LYS A 10 13.284 6.003 -2.359 1.00 0.00 H new ATOM 0 HE3 LYS A 10 14.625 4.997 -2.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 12.975 5.219 -4.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 13.066 3.603 -4.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 11.768 4.578 -3.618 1.00 0.00 H new ATOM 180 N ILE A 11 17.468 1.934 1.172 1.00 0.00 N ATOM 181 CA ILE A 11 18.607 2.127 2.055 1.00 0.00 C ATOM 182 C ILE A 11 19.662 1.078 1.749 1.00 0.00 C ATOM 183 O ILE A 11 20.848 1.390 1.649 1.00 0.00 O ATOM 184 CB ILE A 11 18.172 2.017 3.525 1.00 0.00 C ATOM 185 CG1 ILE A 11 16.808 2.681 3.722 1.00 0.00 C ATOM 186 CG2 ILE A 11 19.190 2.717 4.428 1.00 0.00 C ATOM 187 CD1 ILE A 11 16.810 4.075 3.088 1.00 0.00 C ATOM 0 H ILE A 11 16.580 1.775 1.648 1.00 0.00 H new ATOM 0 HA ILE A 11 19.020 3.122 1.891 1.00 0.00 H new ATOM 0 HB ILE A 11 18.110 0.960 3.786 1.00 0.00 H new ATOM 0 HG12 ILE A 11 16.027 2.068 3.271 1.00 0.00 H new ATOM 0 HG13 ILE A 11 16.581 2.756 4.785 1.00 0.00 H new ATOM 0 HG21 ILE A 11 18.873 2.633 5.467 1.00 0.00 H new ATOM 0 HG22 ILE A 11 20.166 2.247 4.308 1.00 0.00 H new ATOM 0 HG23 ILE A 11 19.257 3.770 4.153 1.00 0.00 H new ATOM 0 HD11 ILE A 11 15.836 4.542 3.232 1.00 0.00 H new ATOM 0 HD12 ILE A 11 17.579 4.688 3.559 1.00 0.00 H new ATOM 0 HD13 ILE A 11 17.017 3.989 2.021 1.00 0.00 H new ATOM 199 N LEU A 12 19.225 -0.162 1.578 1.00 0.00 N ATOM 200 CA LEU A 12 20.150 -1.239 1.259 1.00 0.00 C ATOM 201 C LEU A 12 21.033 -0.829 0.089 1.00 0.00 C ATOM 202 O LEU A 12 22.249 -1.030 0.110 1.00 0.00 O ATOM 203 CB LEU A 12 19.371 -2.508 0.889 1.00 0.00 C ATOM 204 CG LEU A 12 19.230 -3.406 2.118 1.00 0.00 C ATOM 205 CD1 LEU A 12 20.616 -3.775 2.654 1.00 0.00 C ATOM 206 CD2 LEU A 12 18.446 -2.656 3.191 1.00 0.00 C ATOM 0 H LEU A 12 18.248 -0.445 1.654 1.00 0.00 H new ATOM 0 HA LEU A 12 20.772 -1.440 2.131 1.00 0.00 H new ATOM 0 HB2 LEU A 12 18.386 -2.242 0.507 1.00 0.00 H new ATOM 0 HB3 LEU A 12 19.888 -3.044 0.093 1.00 0.00 H new ATOM 0 HG LEU A 12 18.702 -4.320 1.846 1.00 0.00 H new ATOM 0 HD11 LEU A 12 20.509 -4.415 3.530 1.00 0.00 H new ATOM 0 HD12 LEU A 12 21.175 -4.306 1.883 1.00 0.00 H new ATOM 0 HD13 LEU A 12 21.152 -2.867 2.931 1.00 0.00 H new ATOM 0 HD21 LEU A 12 18.340 -3.288 4.073 1.00 0.00 H new ATOM 0 HD22 LEU A 12 18.979 -1.744 3.460 1.00 0.00 H new ATOM 0 HD23 LEU A 12 17.459 -2.399 2.807 1.00 0.00 H new ATOM 218 N ARG A 13 20.411 -0.250 -0.931 1.00 0.00 N ATOM 219 CA ARG A 13 21.145 0.188 -2.104 1.00 0.00 C ATOM 220 C ARG A 13 22.172 1.237 -1.709 1.00 0.00 C ATOM 221 O ARG A 13 23.311 1.204 -2.176 1.00 0.00 O ATOM 222 CB ARG A 13 20.181 0.754 -3.145 1.00 0.00 C ATOM 223 CG ARG A 13 19.201 -0.337 -3.591 1.00 0.00 C ATOM 224 CD ARG A 13 19.967 -1.484 -4.262 1.00 0.00 C ATOM 225 NE ARG A 13 20.767 -0.993 -5.387 1.00 0.00 N ATOM 226 CZ ARG A 13 21.771 -1.714 -5.887 1.00 0.00 C ATOM 227 NH1 ARG A 13 22.447 -1.265 -6.911 1.00 0.00 N1+ ATOM 228 NH2 ARG A 13 22.080 -2.864 -5.351 1.00 0.00 N ATOM 0 H ARG A 13 19.407 -0.075 -0.967 1.00 0.00 H new ATOM 0 HA ARG A 13 21.664 -0.666 -2.539 1.00 0.00 H new ATOM 0 HB2 ARG A 13 19.634 1.599 -2.726 1.00 0.00 H new ATOM 0 HB3 ARG A 13 20.738 1.129 -4.004 1.00 0.00 H new ATOM 0 HG2 ARG A 13 18.646 -0.713 -2.732 1.00 0.00 H new ATOM 0 HG3 ARG A 13 18.471 0.079 -4.285 1.00 0.00 H new ATOM 0 HD2 ARG A 13 20.617 -1.968 -3.533 1.00 0.00 H new ATOM 0 HD3 ARG A 13 19.264 -2.239 -4.613 1.00 0.00 H new ATOM 0 HE ARG A 13 20.552 -0.083 -5.795 1.00 0.00 H new ATOM 0 HH11 ARG A 13 22.206 -0.365 -7.326 1.00 0.00 H new ATOM 0 HH12 ARG A 13 23.216 -1.815 -7.295 1.00 0.00 H new ATOM 0 HH21 ARG A 13 21.553 -3.211 -4.549 1.00 0.00 H new ATOM 0 HH22 ARG A 13 22.848 -3.415 -5.734 1.00 0.00 H new ATOM 242 N LEU A 14 21.773 2.145 -0.822 1.00 0.00 N ATOM 243 CA LEU A 14 22.684 3.172 -0.344 1.00 0.00 C ATOM 244 C LEU A 14 23.743 2.505 0.509 1.00 0.00 C ATOM 245 O LEU A 14 24.936 2.780 0.389 1.00 0.00 O ATOM 246 CB LEU A 14 21.932 4.210 0.496 1.00 0.00 C ATOM 247 CG LEU A 14 20.622 4.598 -0.195 1.00 0.00 C ATOM 248 CD1 LEU A 14 19.915 5.680 0.620 1.00 0.00 C ATOM 249 CD2 LEU A 14 20.912 5.127 -1.604 1.00 0.00 C ATOM 0 H LEU A 14 20.834 2.188 -0.425 1.00 0.00 H new ATOM 0 HA LEU A 14 23.138 3.682 -1.194 1.00 0.00 H new ATOM 0 HB2 LEU A 14 21.724 3.806 1.487 1.00 0.00 H new ATOM 0 HB3 LEU A 14 22.553 5.094 0.637 1.00 0.00 H new ATOM 0 HG LEU A 14 19.982 3.719 -0.267 1.00 0.00 H new ATOM 0 HD11 LEU A 14 18.983 5.956 0.127 1.00 0.00 H new ATOM 0 HD12 LEU A 14 19.699 5.301 1.619 1.00 0.00 H new ATOM 0 HD13 LEU A 14 20.558 6.557 0.696 1.00 0.00 H new ATOM 0 HD21 LEU A 14 19.975 5.401 -2.090 1.00 0.00 H new ATOM 0 HD22 LEU A 14 21.557 6.003 -1.538 1.00 0.00 H new ATOM 0 HD23 LEU A 14 21.410 4.353 -2.188 1.00 0.00 H new ATOM 261 N ALA A 15 23.280 1.599 1.356 1.00 0.00 N ATOM 262 CA ALA A 15 24.169 0.856 2.229 1.00 0.00 C ATOM 263 C ALA A 15 25.237 0.185 1.392 1.00 0.00 C ATOM 264 O ALA A 15 26.397 0.105 1.788 1.00 0.00 O ATOM 265 CB ALA A 15 23.383 -0.196 3.013 1.00 0.00 C ATOM 0 H ALA A 15 22.293 1.362 1.456 1.00 0.00 H new ATOM 0 HA ALA A 15 24.634 1.540 2.939 1.00 0.00 H new ATOM 0 HB1 ALA A 15 24.062 -0.747 3.664 1.00 0.00 H new ATOM 0 HB2 ALA A 15 22.620 0.295 3.616 1.00 0.00 H new ATOM 0 HB3 ALA A 15 22.907 -0.887 2.318 1.00 0.00 H new ATOM 271 N ALA A 16 24.834 -0.271 0.218 1.00 0.00 N ATOM 272 CA ALA A 16 25.754 -0.910 -0.700 1.00 0.00 C ATOM 273 C ALA A 16 26.658 0.152 -1.300 1.00 0.00 C ATOM 274 O ALA A 16 27.867 -0.043 -1.425 1.00 0.00 O ATOM 275 CB ALA A 16 24.983 -1.624 -1.813 1.00 0.00 C ATOM 0 H ALA A 16 23.874 -0.209 -0.120 1.00 0.00 H new ATOM 0 HA ALA A 16 26.350 -1.649 -0.165 1.00 0.00 H new ATOM 0 HB1 ALA A 16 25.687 -2.100 -2.496 1.00 0.00 H new ATOM 0 HB2 ALA A 16 24.332 -2.382 -1.377 1.00 0.00 H new ATOM 0 HB3 ALA A 16 24.380 -0.900 -2.360 1.00 0.00 H new ATOM 281 N ALA A 17 26.060 1.284 -1.656 1.00 0.00 N ATOM 282 CA ALA A 17 26.813 2.384 -2.231 1.00 0.00 C ATOM 283 C ALA A 17 27.864 2.871 -1.240 1.00 0.00 C ATOM 284 O ALA A 17 29.029 3.074 -1.598 1.00 0.00 O ATOM 285 CB ALA A 17 25.867 3.535 -2.589 1.00 0.00 C ATOM 0 H ALA A 17 25.060 1.460 -1.556 1.00 0.00 H new ATOM 0 HA ALA A 17 27.310 2.035 -3.136 1.00 0.00 H new ATOM 0 HB1 ALA A 17 26.440 4.356 -3.020 1.00 0.00 H new ATOM 0 HB2 ALA A 17 25.130 3.188 -3.313 1.00 0.00 H new ATOM 0 HB3 ALA A 17 25.358 3.881 -1.689 1.00 0.00 H new ATOM 291 N PHE A 18 27.443 3.055 0.008 1.00 0.00 N ATOM 292 CA PHE A 18 28.345 3.522 1.055 1.00 0.00 C ATOM 293 C PHE A 18 29.011 2.341 1.766 1.00 0.00 C ATOM 294 O PHE A 18 29.745 2.530 2.737 1.00 0.00 O ATOM 295 CB PHE A 18 27.574 4.364 2.087 1.00 0.00 C ATOM 296 CG PHE A 18 26.669 5.362 1.393 1.00 0.00 C ATOM 297 CD1 PHE A 18 25.364 5.564 1.857 1.00 0.00 C ATOM 298 CD2 PHE A 18 27.134 6.087 0.288 1.00 0.00 C ATOM 299 CE1 PHE A 18 24.526 6.487 1.215 1.00 0.00 C ATOM 300 CE2 PHE A 18 26.301 7.009 -0.350 1.00 0.00 C ATOM 301 CZ PHE A 18 24.997 7.210 0.110 1.00 0.00 C ATOM 0 H PHE A 18 26.486 2.888 0.318 1.00 0.00 H new ATOM 0 HA PHE A 18 29.115 4.134 0.586 1.00 0.00 H new ATOM 0 HB2 PHE A 18 26.981 3.711 2.727 1.00 0.00 H new ATOM 0 HB3 PHE A 18 28.277 4.890 2.733 1.00 0.00 H new ATOM 0 HD1 PHE A 18 25.002 5.009 2.710 1.00 0.00 H new ATOM 0 HD2 PHE A 18 28.140 5.932 -0.072 1.00 0.00 H new ATOM 0 HE1 PHE A 18 23.518 6.641 1.572 1.00 0.00 H new ATOM 0 HE2 PHE A 18 26.665 7.567 -1.200 1.00 0.00 H new ATOM 0 HZ PHE A 18 24.353 7.921 -0.385 1.00 0.00 H new