USER MOD reduce.3.24.130724 H: found=0, std=0, add=130, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 146 hydrogens (14 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 8 ASNHD21 : A 8 ASN ND2 : A 1 GLY CA :(H bumps) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 CA GLY A 1 1.786 -0.239 -0.593 1.00 50.11 C ATOM 2 C GLY A 1 1.383 0.716 -1.699 1.00 1.41 C ATOM 3 O GLY A 1 2.026 1.747 -1.904 1.00 14.11 O ATOM 6 N LEU A 2 0.318 0.374 -2.415 1.00 12.31 N ATOM 7 CA LEU A 2 -0.170 1.209 -3.508 1.00 24.32 C ATOM 8 C LEU A 2 -1.281 2.137 -3.030 1.00 14.31 C ATOM 9 O LEU A 2 -1.657 2.120 -1.858 1.00 0.13 O ATOM 10 CB LEU A 2 -0.678 0.334 -4.656 1.00 1.45 C ATOM 11 CG LEU A 2 0.395 -0.342 -5.510 1.00 52.42 C ATOM 12 CD1 LEU A 2 0.418 -1.840 -5.251 1.00 2.13 C ATOM 13 CD2 LEU A 2 0.158 -0.058 -6.986 1.00 51.23 C ATOM 0 H LEU A 2 -0.225 -0.476 -2.259 1.00 12.31 H new ATOM 0 HA LEU A 2 0.659 1.820 -3.864 1.00 24.32 H new ATOM 0 HB2 LEU A 2 -1.323 -0.440 -4.239 1.00 1.45 H new ATOM 0 HB3 LEU A 2 -1.299 0.949 -5.308 1.00 1.45 H new ATOM 0 HG LEU A 2 1.366 0.069 -5.232 1.00 52.42 H new ATOM 0 HD11 LEU A 2 1.188 -2.304 -5.868 1.00 2.13 H new ATOM 0 HD12 LEU A 2 0.636 -2.024 -4.199 1.00 2.13 H new ATOM 0 HD13 LEU A 2 -0.553 -2.267 -5.501 1.00 2.13 H new ATOM 0 HD21 LEU A 2 0.931 -0.547 -7.579 1.00 51.23 H new ATOM 0 HD22 LEU A 2 -0.820 -0.441 -7.278 1.00 51.23 H new ATOM 0 HD23 LEU A 2 0.193 1.017 -7.160 1.00 51.23 H new ATOM 25 N ARG A 3 -1.805 2.945 -3.946 1.00 50.30 N ATOM 26 CA ARG A 3 -2.875 3.880 -3.618 1.00 43.24 C ATOM 27 C ARG A 3 -4.242 3.248 -3.860 1.00 73.01 C ATOM 28 O ARG A 3 -4.948 2.891 -2.916 1.00 43.23 O ATOM 29 CB ARG A 3 -2.737 5.157 -4.449 1.00 52.24 C ATOM 30 CG ARG A 3 -3.812 6.192 -4.159 1.00 32.42 C ATOM 31 CD ARG A 3 -3.471 7.538 -4.777 1.00 1.40 C ATOM 32 NE ARG A 3 -3.255 8.567 -3.763 1.00 40.11 N ATOM 33 CZ ARG A 3 -3.319 9.870 -4.013 1.00 10.21 C ATOM 34 NH1 ARG A 3 -3.592 10.301 -5.237 1.00 2.33 N ATOM 35 NH2 ARG A 3 -3.111 10.745 -3.037 1.00 45.13 N ATOM 0 H ARG A 3 -1.506 2.971 -4.921 1.00 50.30 H new ATOM 0 HA ARG A 3 -2.793 4.132 -2.561 1.00 43.24 H new ATOM 0 HB2 ARG A 3 -1.759 5.599 -4.260 1.00 52.24 H new ATOM 0 HB3 ARG A 3 -2.771 4.897 -5.507 1.00 52.24 H new ATOM 0 HG2 ARG A 3 -4.768 5.844 -4.549 1.00 32.42 H new ATOM 0 HG3 ARG A 3 -3.929 6.305 -3.081 1.00 32.42 H new ATOM 0 HD2 ARG A 3 -2.575 7.439 -5.390 1.00 1.40 H new ATOM 0 HD3 ARG A 3 -4.278 7.847 -5.441 1.00 1.40 H new ATOM 0 HE ARG A 3 -3.043 8.269 -2.811 1.00 40.11 H new ATOM 0 HH11 ARG A 3 -3.753 9.631 -5.989 1.00 2.33 H new ATOM 0 HH12 ARG A 3 -3.641 11.302 -5.426 1.00 2.33 H new ATOM 0 HH21 ARG A 3 -2.902 10.417 -2.094 1.00 45.13 H new ATOM 0 HH22 ARG A 3 -3.160 11.745 -3.230 1.00 45.13 H new ATOM 49 N ARG A 4 -4.610 3.113 -5.130 1.00 41.21 N ATOM 50 CA ARG A 4 -5.893 2.526 -5.496 1.00 33.03 C ATOM 51 C ARG A 4 -5.738 1.045 -5.831 1.00 10.52 C ATOM 52 O ARG A 4 -6.560 0.218 -5.433 1.00 5.31 O ATOM 53 CB ARG A 4 -6.497 3.269 -6.689 1.00 1.32 C ATOM 54 CG ARG A 4 -8.016 3.307 -6.677 1.00 54.42 C ATOM 55 CD ARG A 4 -8.543 4.666 -7.111 1.00 41.41 C ATOM 56 NE ARG A 4 -9.609 5.146 -6.235 1.00 63.42 N ATOM 57 CZ ARG A 4 -9.389 5.738 -5.067 1.00 31.23 C ATOM 58 NH1 ARG A 4 -8.149 5.923 -4.636 1.00 42.23 N ATOM 59 NH2 ARG A 4 -10.412 6.146 -4.326 1.00 45.51 N ATOM 0 H ARG A 4 -4.037 3.402 -5.923 1.00 41.21 H new ATOM 0 HA ARG A 4 -6.563 2.620 -4.642 1.00 33.03 H new ATOM 0 HB2 ARG A 4 -6.117 4.290 -6.701 1.00 1.32 H new ATOM 0 HB3 ARG A 4 -6.161 2.793 -7.610 1.00 1.32 H new ATOM 0 HG2 ARG A 4 -8.406 2.536 -7.341 1.00 54.42 H new ATOM 0 HG3 ARG A 4 -8.379 3.078 -5.675 1.00 54.42 H new ATOM 0 HD2 ARG A 4 -7.726 5.387 -7.116 1.00 41.41 H new ATOM 0 HD3 ARG A 4 -8.916 4.600 -8.133 1.00 41.41 H new ATOM 0 HE ARG A 4 -10.575 5.019 -6.537 1.00 63.42 H new ATOM 0 HH11 ARG A 4 -7.360 5.610 -5.202 1.00 42.23 H new ATOM 0 HH12 ARG A 4 -7.984 6.378 -3.738 1.00 42.23 H new ATOM 0 HH21 ARG A 4 -11.368 6.005 -4.654 1.00 45.51 H new ATOM 0 HH22 ARG A 4 -10.243 6.601 -3.429 1.00 45.51 H new ATOM 73 N LEU A 5 -4.680 0.718 -6.565 1.00 13.23 N ATOM 74 CA LEU A 5 -4.417 -0.663 -6.954 1.00 41.22 C ATOM 75 C LEU A 5 -4.445 -1.586 -5.740 1.00 55.23 C ATOM 76 O LEU A 5 -4.882 -2.734 -5.830 1.00 42.41 O ATOM 77 CB LEU A 5 -3.062 -0.766 -7.656 1.00 4.12 C ATOM 78 CG LEU A 5 -3.082 -0.630 -9.179 1.00 0.53 C ATOM 79 CD1 LEU A 5 -1.666 -0.526 -9.724 1.00 72.54 C ATOM 80 CD2 LEU A 5 -3.815 -1.805 -9.810 1.00 5.34 C ATOM 0 H LEU A 5 -3.991 1.390 -6.903 1.00 13.23 H new ATOM 0 HA LEU A 5 -5.201 -0.976 -7.643 1.00 41.22 H new ATOM 0 HB2 LEU A 5 -2.406 0.005 -7.251 1.00 4.12 H new ATOM 0 HB3 LEU A 5 -2.617 -1.728 -7.403 1.00 4.12 H new ATOM 0 HG LEU A 5 -3.616 0.285 -9.436 1.00 0.53 H new ATOM 0 HD11 LEU A 5 -1.700 -0.430 -10.809 1.00 72.54 H new ATOM 0 HD12 LEU A 5 -1.175 0.349 -9.297 1.00 72.54 H new ATOM 0 HD13 LEU A 5 -1.106 -1.422 -9.457 1.00 72.54 H new ATOM 0 HD21 LEU A 5 -3.819 -1.691 -10.894 1.00 5.34 H new ATOM 0 HD22 LEU A 5 -3.310 -2.734 -9.545 1.00 5.34 H new ATOM 0 HD23 LEU A 5 -4.841 -1.833 -9.444 1.00 5.34 H new ATOM 92 N PHE A 6 -3.980 -1.076 -4.605 1.00 24.22 N ATOM 93 CA PHE A 6 -3.953 -1.854 -3.372 1.00 23.32 C ATOM 94 C PHE A 6 -3.385 -1.029 -2.220 1.00 74.33 C ATOM 95 O PHE A 6 -2.178 -0.805 -2.139 1.00 52.35 O ATOM 96 CB PHE A 6 -3.120 -3.124 -3.563 1.00 14.10 C ATOM 97 CG PHE A 6 -3.773 -4.358 -3.007 1.00 44.42 C ATOM 98 CD1 PHE A 6 -5.050 -4.720 -3.403 1.00 10.02 C ATOM 99 CD2 PHE A 6 -3.108 -5.154 -2.089 1.00 33.52 C ATOM 100 CE1 PHE A 6 -5.653 -5.855 -2.894 1.00 0.24 C ATOM 101 CE2 PHE A 6 -3.706 -6.291 -1.577 1.00 1.43 C ATOM 102 CZ PHE A 6 -4.980 -6.640 -1.979 1.00 32.55 C ATOM 0 H PHE A 6 -3.617 -0.127 -4.513 1.00 24.22 H new ATOM 0 HA PHE A 6 -4.978 -2.133 -3.126 1.00 23.32 H new ATOM 0 HB2 PHE A 6 -2.933 -3.270 -4.627 1.00 14.10 H new ATOM 0 HB3 PHE A 6 -2.150 -2.988 -3.084 1.00 14.10 H new ATOM 0 HD1 PHE A 6 -5.581 -4.108 -4.118 1.00 10.02 H new ATOM 0 HD2 PHE A 6 -2.112 -4.884 -1.770 1.00 33.52 H new ATOM 0 HE1 PHE A 6 -6.649 -6.127 -3.211 1.00 0.24 H new ATOM 0 HE2 PHE A 6 -3.177 -6.905 -0.863 1.00 1.43 H new ATOM 0 HZ PHE A 6 -5.450 -7.526 -1.578 1.00 32.55 H new ATOM 112 N ALA A 7 -4.266 -0.580 -1.332 1.00 31.41 N ATOM 113 CA ALA A 7 -3.854 0.218 -0.184 1.00 51.23 C ATOM 114 C ALA A 7 -3.144 -0.641 0.856 1.00 32.32 C ATOM 115 O ALA A 7 -3.320 -1.858 0.894 1.00 33.23 O ATOM 116 CB ALA A 7 -5.058 0.913 0.435 1.00 41.14 C ATOM 0 H ALA A 7 -5.269 -0.755 -1.386 1.00 31.41 H new ATOM 0 HA ALA A 7 -3.151 0.975 -0.532 1.00 51.23 H new ATOM 0 HB1 ALA A 7 -4.736 1.505 1.291 1.00 41.14 H new ATOM 0 HB2 ALA A 7 -5.521 1.566 -0.305 1.00 41.14 H new ATOM 0 HB3 ALA A 7 -5.781 0.166 0.762 1.00 41.14 H new ATOM 122 N ASN A 8 -2.341 0.000 1.699 1.00 42.25 N ATOM 123 CA ASN A 8 -1.603 -0.707 2.739 1.00 10.42 C ATOM 124 C ASN A 8 -2.084 -0.290 4.126 1.00 74.03 C ATOM 125 O ASN A 8 -2.340 0.887 4.376 1.00 13.32 O ATOM 126 CB ASN A 8 -0.103 -0.435 2.605 1.00 54.44 C ATOM 127 CG ASN A 8 0.486 -1.053 1.352 1.00 42.23 C ATOM 128 OD1 ASN A 8 -0.082 -1.983 0.779 1.00 43.34 O ATOM 129 ND2 ASN A 8 1.632 -0.538 0.921 1.00 53.44 N ATOM 0 H ASN A 8 -2.185 1.008 1.682 1.00 42.25 H new ATOM 0 HA ASN A 8 -1.784 -1.775 2.616 1.00 10.42 H new ATOM 0 HB2 ASN A 8 0.069 0.641 2.591 1.00 54.44 H new ATOM 0 HB3 ASN A 8 0.415 -0.829 3.479 1.00 54.44 H new ATOM 0 HD22 ASN A 8 2.067 0.233 1.428 1.00 53.44 H new ATOM 135 N GLN A 9 -2.204 -1.264 5.022 1.00 72.21 N ATOM 136 CA GLN A 9 -2.655 -0.998 6.383 1.00 62.21 C ATOM 137 C GLN A 9 -1.730 -0.005 7.078 1.00 24.14 C ATOM 138 O GLN A 9 -2.130 1.117 7.394 1.00 64.55 O ATOM 139 CB GLN A 9 -2.721 -2.299 7.184 1.00 24.54 C ATOM 140 CG GLN A 9 -3.283 -2.123 8.586 1.00 71.24 C ATOM 141 CD GLN A 9 -4.786 -1.926 8.591 1.00 52.15 C ATOM 142 OE1 GLN A 9 -5.545 -2.843 8.276 1.00 33.13 O ATOM 143 NE2 GLN A 9 -5.225 -0.725 8.948 1.00 3.34 N ATOM 0 H GLN A 9 -1.995 -2.244 4.830 1.00 72.21 H new ATOM 0 HA GLN A 9 -3.652 -0.562 6.330 1.00 62.21 H new ATOM 0 HB2 GLN A 9 -3.336 -3.018 6.643 1.00 24.54 H new ATOM 0 HB3 GLN A 9 -1.720 -2.724 7.254 1.00 24.54 H new ATOM 0 HG2 GLN A 9 -3.033 -2.998 9.186 1.00 71.24 H new ATOM 0 HG3 GLN A 9 -2.806 -1.265 9.060 1.00 71.24 H new ATOM 0 HE21 GLN A 9 -4.561 0.006 9.202 1.00 3.34 H new ATOM 0 HE22 GLN A 9 -6.227 -0.534 8.969 1.00 3.34 H new ATOM 152 N LEU A 10 -0.491 -0.424 7.315 1.00 14.15 N ATOM 153 CA LEU A 10 0.492 0.429 7.974 1.00 33.14 C ATOM 154 C LEU A 10 0.761 1.685 7.152 1.00 3.01 C ATOM 155 O LEU A 10 0.420 2.794 7.563 1.00 11.12 O ATOM 156 CB LEU A 10 1.796 -0.339 8.196 1.00 71.35 C ATOM 157 CG LEU A 10 1.652 -1.772 8.709 1.00 72.51 C ATOM 158 CD1 LEU A 10 3.019 -2.398 8.936 1.00 3.03 C ATOM 159 CD2 LEU A 10 0.831 -1.800 9.990 1.00 71.11 C ATOM 0 H LEU A 10 -0.144 -1.349 7.061 1.00 14.15 H new ATOM 0 HA LEU A 10 0.086 0.730 8.940 1.00 33.14 H new ATOM 0 HB2 LEU A 10 2.344 -0.365 7.254 1.00 71.35 H new ATOM 0 HB3 LEU A 10 2.407 0.220 8.905 1.00 71.35 H new ATOM 0 HG LEU A 10 1.129 -2.357 7.953 1.00 72.51 H new ATOM 0 HD11 LEU A 10 2.896 -3.418 9.301 1.00 3.03 H new ATOM 0 HD12 LEU A 10 3.573 -2.413 7.997 1.00 3.03 H new ATOM 0 HD13 LEU A 10 3.569 -1.813 9.673 1.00 3.03 H new ATOM 0 HD21 LEU A 10 0.739 -2.828 10.341 1.00 71.11 H new ATOM 0 HD22 LEU A 10 1.326 -1.199 10.753 1.00 71.11 H new ATOM 0 HD23 LEU A 10 -0.161 -1.393 9.795 1.00 71.11 H new ATOM 171 N VAL A 11 1.374 1.503 5.987 1.00 64.02 N ATOM 172 CA VAL A 11 1.687 2.621 5.104 1.00 31.15 C ATOM 173 C VAL A 11 1.808 2.161 3.656 1.00 33.31 C ATOM 174 O VAL A 11 2.262 1.051 3.382 1.00 22.22 O ATOM 175 CB VAL A 11 2.996 3.316 5.522 1.00 45.14 C ATOM 176 CG1 VAL A 11 4.183 2.387 5.316 1.00 43.31 C ATOM 177 CG2 VAL A 11 3.182 4.612 4.746 1.00 31.50 C ATOM 0 H VAL A 11 1.664 0.592 5.632 1.00 64.02 H new ATOM 0 HA VAL A 11 0.864 3.331 5.188 1.00 31.15 H new ATOM 0 HB VAL A 11 2.935 3.560 6.583 1.00 45.14 H new ATOM 0 HG11 VAL A 11 5.099 2.895 5.617 1.00 43.31 H new ATOM 0 HG12 VAL A 11 4.051 1.489 5.920 1.00 43.31 H new ATOM 0 HG13 VAL A 11 4.250 2.110 4.264 1.00 43.31 H new ATOM 0 HG21 VAL A 11 4.112 5.090 5.054 1.00 31.50 H new ATOM 0 HG22 VAL A 11 3.222 4.394 3.679 1.00 31.50 H new ATOM 0 HG23 VAL A 11 2.346 5.281 4.949 1.00 31.50 H new ATOM 187 N GLY A 12 1.397 3.023 2.731 1.00 64.24 N ATOM 188 CA GLY A 12 1.468 2.687 1.321 1.00 61.14 C ATOM 189 C GLY A 12 1.202 3.881 0.426 1.00 55.20 C ATOM 190 O GLY A 12 1.890 4.898 0.515 1.00 12.14 O ATOM 0 H GLY A 12 1.016 3.948 2.933 1.00 64.24 H new ATOM 0 HA2 GLY A 12 2.455 2.281 1.097 1.00 61.14 H new ATOM 0 HA3 GLY A 12 0.743 1.903 1.101 1.00 61.14 H new ATOM 194 N ARG A 13 0.201 3.758 -0.440 1.00 41.22 N ATOM 195 CA ARG A 13 -0.153 4.835 -1.357 1.00 4.21 C ATOM 196 C ARG A 13 1.073 5.317 -2.128 1.00 53.11 C ATOM 197 O ARG A 13 1.696 6.313 -1.762 1.00 45.42 O ATOM 198 CB ARG A 13 -0.777 6.002 -0.590 1.00 10.22 C ATOM 199 CG ARG A 13 -1.688 5.566 0.546 1.00 2.44 C ATOM 200 CD ARG A 13 -2.858 4.740 0.037 1.00 63.54 C ATOM 201 NE ARG A 13 -3.815 5.549 -0.712 1.00 15.35 N ATOM 202 CZ ARG A 13 -5.078 5.191 -0.917 1.00 50.34 C ATOM 203 NH1 ARG A 13 -5.532 4.044 -0.433 1.00 75.32 N ATOM 204 NH2 ARG A 13 -5.889 5.982 -1.608 1.00 40.24 N ATOM 0 H ARG A 13 -0.379 2.923 -0.526 1.00 41.22 H new ATOM 0 HA ARG A 13 -0.881 4.447 -2.070 1.00 4.21 H new ATOM 0 HB2 ARG A 13 0.019 6.628 -0.186 1.00 10.22 H new ATOM 0 HB3 ARG A 13 -1.346 6.619 -1.285 1.00 10.22 H new ATOM 0 HG2 ARG A 13 -1.117 4.983 1.268 1.00 2.44 H new ATOM 0 HG3 ARG A 13 -2.063 6.445 1.071 1.00 2.44 H new ATOM 0 HD2 ARG A 13 -2.485 3.938 -0.600 1.00 63.54 H new ATOM 0 HD3 ARG A 13 -3.363 4.269 0.880 1.00 63.54 H new ATOM 0 HE ARG A 13 -3.497 6.437 -1.099 1.00 15.35 H new ATOM 0 HH11 ARG A 13 -4.911 3.433 0.098 1.00 75.32 H new ATOM 0 HH12 ARG A 13 -6.502 3.772 -0.592 1.00 75.32 H new ATOM 0 HH21 ARG A 13 -5.543 6.866 -1.982 1.00 40.24 H new ATOM 0 HH22 ARG A 13 -6.858 5.706 -1.765 1.00 40.24 H new ATOM 218 N ARG A 14 1.412 4.603 -3.196 1.00 73.14 N ATOM 219 CA ARG A 14 2.563 4.956 -4.018 1.00 0.41 C ATOM 220 C ARG A 14 2.119 5.448 -5.393 1.00 5.03 C ATOM 221 O ARG A 14 2.766 6.304 -5.995 1.00 21.11 O ATOM 222 CB ARG A 14 3.496 3.754 -4.171 1.00 72.41 C ATOM 223 CG ARG A 14 2.964 2.687 -5.114 1.00 63.15 C ATOM 224 CD ARG A 14 3.492 2.880 -6.528 1.00 14.24 C ATOM 225 NE ARG A 14 4.674 2.063 -6.787 1.00 73.33 N ATOM 226 CZ ARG A 14 5.140 1.811 -8.005 1.00 40.14 C ATOM 227 NH1 ARG A 14 4.528 2.311 -9.070 1.00 13.23 N ATOM 228 NH2 ARG A 14 6.221 1.058 -8.161 1.00 5.04 N ATOM 0 H ARG A 14 0.906 3.776 -3.513 1.00 73.14 H new ATOM 0 HA ARG A 14 3.100 5.762 -3.519 1.00 0.41 H new ATOM 0 HB2 ARG A 14 4.463 4.100 -4.536 1.00 72.41 H new ATOM 0 HB3 ARG A 14 3.665 3.309 -3.191 1.00 72.41 H new ATOM 0 HG2 ARG A 14 3.251 1.701 -4.749 1.00 63.15 H new ATOM 0 HG3 ARG A 14 1.875 2.719 -5.124 1.00 63.15 H new ATOM 0 HD2 ARG A 14 2.711 2.625 -7.244 1.00 14.24 H new ATOM 0 HD3 ARG A 14 3.736 3.931 -6.683 1.00 14.24 H new ATOM 0 HE ARG A 14 5.169 1.664 -5.989 1.00 73.33 H new ATOM 0 HH11 ARG A 14 3.697 2.891 -8.955 1.00 13.23 H new ATOM 0 HH12 ARG A 14 4.888 2.116 -10.004 1.00 13.23 H new ATOM 0 HH21 ARG A 14 6.696 0.672 -7.345 1.00 5.04 H new ATOM 0 HH22 ARG A 14 6.578 0.865 -9.097 1.00 5.04 H new ATOM 242 N ASN A 15 1.012 4.900 -5.883 1.00 24.42 N ATOM 243 CA ASN A 15 0.483 5.281 -7.187 1.00 0.41 C ATOM 244 C ASN A 15 -0.904 4.685 -7.407 1.00 12.54 C ATOM 245 O ASN A 15 -1.397 3.712 -6.889 1.00 31.05 O ATOM 246 CB ASN A 15 1.429 4.823 -8.299 1.00 1.33 C ATOM 247 CG ASN A 15 1.384 5.736 -9.509 1.00 74.31 C ATOM 248 OD1 ASN A 15 1.927 6.840 -9.489 1.00 11.25 O ATOM 249 ND2 ASN A 15 0.733 5.277 -10.572 1.00 31.52 N ATOM 0 H ASN A 15 0.464 4.191 -5.396 1.00 24.42 H new ATOM 0 HA ASN A 15 0.401 6.368 -7.214 1.00 0.41 H new ATOM 0 HB2 ASN A 15 2.448 4.786 -7.913 1.00 1.33 H new ATOM 0 HB3 ASN A 15 1.166 3.810 -8.602 1.00 1.33 H new ATOM 0 HD21 ASN A 15 0.669 5.846 -11.416 1.00 31.52 H new ATOM 0 HD22 ASN A 15 0.297 4.355 -10.544 1.00 31.52 H new HETATM 256 C ILM A 16 -2.979 3.812 -9.688 1.00 65.23 C HETATM 257 N ILM A 16 -1.704 5.333 -8.310 1.00 5.02 N HETATM 258 O ILM A 16 -3.798 2.926 -9.735 1.00 31.41 O HETATM 259 O1 ILM A 16 -2.128 3.676 -10.712 1.00 54.43 O HETATM 260 CA ILM A 16 -3.039 4.837 -8.583 1.00 3.20 C HETATM 261 CB ILM A 16 -3.931 5.994 -9.012 1.00 54.13 C HETATM 262 CD1 ILM A 16 -4.673 8.282 -8.376 1.00 65.43 C HETATM 263 CE1 ILM A 16 -2.287 2.621 -11.621 1.00 21.34 C HETATM 264 CG1 ILM A 16 -4.081 6.976 -7.859 1.00 53.31 C HETATM 265 CG2 ILM A 16 -5.302 5.458 -9.405 1.00 4.25 C TER 280 ILM A 16