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=-0.000535 X(o=-0.00053,f=-0.23) USER MOD Single : A 15 ASN : amide:sc= -0.852 X(o=-0.85,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 CA GLY A 1 2.180 -0.069 -1.506 1.00 10.42 C ATOM 2 C GLY A 1 1.459 0.549 -2.688 1.00 23.41 C ATOM 3 O GLY A 1 2.092 1.014 -3.637 1.00 23.33 O ATOM 6 N LEU A 2 0.132 0.552 -2.633 1.00 40.32 N ATOM 7 CA LEU A 2 -0.676 1.116 -3.709 1.00 35.32 C ATOM 8 C LEU A 2 -1.733 2.066 -3.155 1.00 53.12 C ATOM 9 O LEU A 2 -1.781 2.325 -1.952 1.00 63.25 O ATOM 10 CB LEU A 2 -1.348 -0.002 -4.508 1.00 31.41 C ATOM 11 CG LEU A 2 -0.409 -1.002 -5.184 1.00 2.12 C ATOM 12 CD1 LEU A 2 -0.935 -2.420 -5.025 1.00 25.11 C ATOM 13 CD2 LEU A 2 -0.234 -0.658 -6.656 1.00 4.23 C ATOM 0 H LEU A 2 -0.407 0.171 -1.856 1.00 40.32 H new ATOM 0 HA LEU A 2 -0.016 1.680 -4.368 1.00 35.32 H new ATOM 0 HB2 LEU A 2 -2.011 -0.551 -3.839 1.00 31.41 H new ATOM 0 HB3 LEU A 2 -1.975 0.453 -5.275 1.00 31.41 H new ATOM 0 HG LEU A 2 0.565 -0.941 -4.699 1.00 2.12 H new ATOM 0 HD11 LEU A 2 -0.254 -3.118 -5.512 1.00 25.11 H new ATOM 0 HD12 LEU A 2 -1.008 -2.664 -3.965 1.00 25.11 H new ATOM 0 HD13 LEU A 2 -1.921 -2.496 -5.483 1.00 25.11 H new ATOM 0 HD21 LEU A 2 0.437 -1.380 -7.121 1.00 4.23 H new ATOM 0 HD22 LEU A 2 -1.203 -0.690 -7.155 1.00 4.23 H new ATOM 0 HD23 LEU A 2 0.189 0.342 -6.748 1.00 4.23 H new ATOM 25 N ARG A 3 -2.580 2.581 -4.040 1.00 53.33 N ATOM 26 CA ARG A 3 -3.637 3.502 -3.640 1.00 14.11 C ATOM 27 C ARG A 3 -4.989 3.049 -4.185 1.00 24.42 C ATOM 28 O ARG A 3 -5.834 2.553 -3.440 1.00 75.33 O ATOM 29 CB ARG A 3 -3.325 4.916 -4.133 1.00 51.11 C ATOM 30 CG ARG A 3 -4.447 5.910 -3.882 1.00 51.32 C ATOM 31 CD ARG A 3 -4.050 7.316 -4.304 1.00 0.44 C ATOM 32 NE ARG A 3 -3.867 8.201 -3.156 1.00 35.22 N ATOM 33 CZ ARG A 3 -3.470 9.464 -3.257 1.00 43.13 C ATOM 34 NH1 ARG A 3 -3.215 9.989 -4.448 1.00 24.40 N ATOM 35 NH2 ARG A 3 -3.327 10.206 -2.166 1.00 62.33 N ATOM 0 H ARG A 3 -2.555 2.376 -5.039 1.00 53.33 H new ATOM 0 HA ARG A 3 -3.686 3.507 -2.551 1.00 14.11 H new ATOM 0 HB2 ARG A 3 -2.419 5.271 -3.641 1.00 51.11 H new ATOM 0 HB3 ARG A 3 -3.115 4.881 -5.202 1.00 51.11 H new ATOM 0 HG2 ARG A 3 -5.337 5.602 -4.431 1.00 51.32 H new ATOM 0 HG3 ARG A 3 -4.708 5.907 -2.824 1.00 51.32 H new ATOM 0 HD2 ARG A 3 -3.126 7.274 -4.880 1.00 0.44 H new ATOM 0 HD3 ARG A 3 -4.817 7.728 -4.960 1.00 0.44 H new ATOM 0 HE ARG A 3 -4.055 7.828 -2.225 1.00 35.22 H new ATOM 0 HH11 ARG A 3 -3.324 9.422 -5.289 1.00 24.40 H new ATOM 0 HH12 ARG A 3 -2.910 10.960 -4.523 1.00 24.40 H new ATOM 0 HH21 ARG A 3 -3.522 9.806 -1.248 1.00 62.33 H new ATOM 0 HH22 ARG A 3 -3.022 11.176 -2.245 1.00 62.33 H new ATOM 49 N ARG A 4 -5.184 3.223 -5.488 1.00 30.32 N ATOM 50 CA ARG A 4 -6.433 2.833 -6.132 1.00 4.12 C ATOM 51 C ARG A 4 -6.572 1.314 -6.173 1.00 13.20 C ATOM 52 O ARG A 4 -7.529 0.753 -5.637 1.00 1.23 O ATOM 53 CB ARG A 4 -6.498 3.401 -7.551 1.00 21.40 C ATOM 54 CG ARG A 4 -7.913 3.679 -8.031 1.00 42.11 C ATOM 55 CD ARG A 4 -8.368 5.077 -7.643 1.00 44.42 C ATOM 56 NE ARG A 4 -9.716 5.368 -8.124 1.00 22.51 N ATOM 57 CZ ARG A 4 -10.214 6.595 -8.219 1.00 1.34 C ATOM 58 NH1 ARG A 4 -9.479 7.641 -7.868 1.00 3.41 N ATOM 59 NH2 ARG A 4 -11.450 6.779 -8.665 1.00 62.54 N ATOM 0 H ARG A 4 -4.494 3.631 -6.118 1.00 30.32 H new ATOM 0 HA ARG A 4 -7.258 3.240 -5.547 1.00 4.12 H new ATOM 0 HB2 ARG A 4 -5.922 4.325 -7.590 1.00 21.40 H new ATOM 0 HB3 ARG A 4 -6.022 2.700 -8.236 1.00 21.40 H new ATOM 0 HG2 ARG A 4 -7.959 3.568 -9.114 1.00 42.11 H new ATOM 0 HG3 ARG A 4 -8.594 2.942 -7.605 1.00 42.11 H new ATOM 0 HD2 ARG A 4 -8.341 5.179 -6.558 1.00 44.42 H new ATOM 0 HD3 ARG A 4 -7.672 5.811 -8.050 1.00 44.42 H new ATOM 0 HE ARG A 4 -10.308 4.585 -8.402 1.00 22.51 H new ATOM 0 HH11 ARG A 4 -8.529 7.504 -7.524 1.00 3.41 H new ATOM 0 HH12 ARG A 4 -9.864 8.583 -7.942 1.00 3.41 H new ATOM 0 HH21 ARG A 4 -12.019 5.977 -8.936 1.00 62.54 H new ATOM 0 HH22 ARG A 4 -11.831 7.722 -8.737 1.00 62.54 H new ATOM 73 N LEU A 5 -5.613 0.654 -6.813 1.00 13.32 N ATOM 74 CA LEU A 5 -5.629 -0.800 -6.925 1.00 30.12 C ATOM 75 C LEU A 5 -5.802 -1.450 -5.556 1.00 11.24 C ATOM 76 O LEU A 5 -6.505 -2.451 -5.416 1.00 52.12 O ATOM 77 CB LEU A 5 -4.337 -1.295 -7.577 1.00 60.11 C ATOM 78 CG LEU A 5 -4.169 -0.973 -9.062 1.00 41.14 C ATOM 79 CD1 LEU A 5 -2.695 -0.937 -9.437 1.00 55.14 C ATOM 80 CD2 LEU A 5 -4.914 -1.989 -9.916 1.00 43.22 C ATOM 0 H LEU A 5 -4.815 1.103 -7.262 1.00 13.32 H new ATOM 0 HA LEU A 5 -6.476 -1.082 -7.550 1.00 30.12 H new ATOM 0 HB2 LEU A 5 -3.493 -0.867 -7.035 1.00 60.11 H new ATOM 0 HB3 LEU A 5 -4.281 -2.376 -7.452 1.00 60.11 H new ATOM 0 HG LEU A 5 -4.595 0.012 -9.251 1.00 41.14 H new ATOM 0 HD11 LEU A 5 -2.595 -0.706 -10.498 1.00 55.14 H new ATOM 0 HD12 LEU A 5 -2.189 -0.171 -8.850 1.00 55.14 H new ATOM 0 HD13 LEU A 5 -2.244 -1.908 -9.233 1.00 55.14 H new ATOM 0 HD21 LEU A 5 -4.783 -1.744 -10.970 1.00 43.22 H new ATOM 0 HD22 LEU A 5 -4.518 -2.986 -9.723 1.00 43.22 H new ATOM 0 HD23 LEU A 5 -5.975 -1.965 -9.667 1.00 43.22 H new ATOM 92 N PHE A 6 -5.158 -0.872 -4.547 1.00 20.42 N ATOM 93 CA PHE A 6 -5.242 -1.394 -3.188 1.00 25.43 C ATOM 94 C PHE A 6 -4.561 -0.451 -2.200 1.00 62.21 C ATOM 95 O PHE A 6 -4.048 0.600 -2.582 1.00 43.03 O ATOM 96 CB PHE A 6 -4.600 -2.781 -3.111 1.00 23.21 C ATOM 97 CG PHE A 6 -5.598 -3.903 -3.075 1.00 11.34 C ATOM 98 CD1 PHE A 6 -6.591 -3.933 -2.109 1.00 54.41 C ATOM 99 CD2 PHE A 6 -5.543 -4.927 -4.006 1.00 30.33 C ATOM 100 CE1 PHE A 6 -7.512 -4.963 -2.073 1.00 51.10 C ATOM 101 CE2 PHE A 6 -6.461 -5.960 -3.975 1.00 11.12 C ATOM 102 CZ PHE A 6 -7.446 -5.978 -3.007 1.00 30.54 C ATOM 0 H PHE A 6 -4.573 -0.042 -4.645 1.00 20.42 H new ATOM 0 HA PHE A 6 -6.296 -1.473 -2.921 1.00 25.43 H new ATOM 0 HB2 PHE A 6 -3.944 -2.917 -3.971 1.00 23.21 H new ATOM 0 HB3 PHE A 6 -3.974 -2.834 -2.220 1.00 23.21 H new ATOM 0 HD1 PHE A 6 -6.646 -3.142 -1.376 1.00 54.41 H new ATOM 0 HD2 PHE A 6 -4.774 -4.918 -4.765 1.00 30.33 H new ATOM 0 HE1 PHE A 6 -8.282 -4.974 -1.316 1.00 51.10 H new ATOM 0 HE2 PHE A 6 -6.408 -6.752 -4.707 1.00 11.12 H new ATOM 0 HZ PHE A 6 -8.164 -6.785 -2.981 1.00 30.54 H new ATOM 112 N ALA A 7 -4.562 -0.835 -0.928 1.00 25.32 N ATOM 113 CA ALA A 7 -3.943 -0.026 0.115 1.00 55.21 C ATOM 114 C ALA A 7 -2.999 -0.862 0.971 1.00 4.14 C ATOM 115 O ALA A 7 -3.296 -2.009 1.301 1.00 12.03 O ATOM 116 CB ALA A 7 -5.012 0.622 0.983 1.00 41.20 C ATOM 0 H ALA A 7 -4.985 -1.701 -0.595 1.00 25.32 H new ATOM 0 HA ALA A 7 -3.357 0.757 -0.366 1.00 55.21 H new ATOM 0 HB1 ALA A 7 -4.536 1.223 1.758 1.00 41.20 H new ATOM 0 HB2 ALA A 7 -5.644 1.260 0.366 1.00 41.20 H new ATOM 0 HB3 ALA A 7 -5.622 -0.153 1.448 1.00 41.20 H new ATOM 122 N ASN A 8 -1.858 -0.279 1.327 1.00 33.44 N ATOM 123 CA ASN A 8 -0.869 -0.972 2.145 1.00 62.11 C ATOM 124 C ASN A 8 -1.193 -0.829 3.629 1.00 44.51 C ATOM 125 O ASN A 8 -1.612 0.236 4.082 1.00 42.11 O ATOM 126 CB ASN A 8 0.531 -0.424 1.861 1.00 23.05 C ATOM 127 CG ASN A 8 1.112 -0.962 0.568 1.00 72.01 C ATOM 128 OD1 ASN A 8 0.672 -1.993 0.058 1.00 12.34 O ATOM 129 ND2 ASN A 8 2.106 -0.264 0.031 1.00 71.55 N ATOM 0 H ASN A 8 -1.596 0.670 1.062 1.00 33.44 H new ATOM 0 HA ASN A 8 -0.897 -2.031 1.887 1.00 62.11 H new ATOM 0 HB2 ASN A 8 0.489 0.664 1.812 1.00 23.05 H new ATOM 0 HB3 ASN A 8 1.193 -0.681 2.688 1.00 23.05 H new ATOM 0 HD22 ASN A 8 2.438 0.585 0.489 1.00 71.55 H new ATOM 135 N GLN A 9 -0.994 -1.907 4.379 1.00 31.43 N ATOM 136 CA GLN A 9 -1.265 -1.901 5.812 1.00 71.20 C ATOM 137 C GLN A 9 -0.438 -0.832 6.518 1.00 41.22 C ATOM 138 O GLN A 9 -0.983 0.116 7.084 1.00 11.35 O ATOM 139 CB GLN A 9 -0.966 -3.275 6.415 1.00 41.21 C ATOM 140 CG GLN A 9 -1.322 -3.383 7.889 1.00 52.02 C ATOM 141 CD GLN A 9 -2.803 -3.616 8.116 1.00 41.43 C ATOM 142 OE1 GLN A 9 -3.408 -4.491 7.495 1.00 2.35 O ATOM 143 NE2 GLN A 9 -3.396 -2.832 9.009 1.00 43.44 N ATOM 0 H GLN A 9 -0.646 -2.796 4.019 1.00 31.43 H new ATOM 0 HA GLN A 9 -2.321 -1.671 5.955 1.00 71.20 H new ATOM 0 HB2 GLN A 9 -1.517 -4.034 5.860 1.00 41.21 H new ATOM 0 HB3 GLN A 9 0.094 -3.495 6.289 1.00 41.21 H new ATOM 0 HG2 GLN A 9 -0.757 -4.200 8.336 1.00 52.02 H new ATOM 0 HG3 GLN A 9 -1.019 -2.469 8.400 1.00 52.02 H new ATOM 0 HE21 GLN A 9 -2.856 -2.120 9.501 1.00 43.44 H new ATOM 0 HE22 GLN A 9 -4.391 -2.942 9.203 1.00 43.44 H new ATOM 152 N LEU A 10 0.880 -0.990 6.480 1.00 25.43 N ATOM 153 CA LEU A 10 1.784 -0.038 7.117 1.00 70.21 C ATOM 154 C LEU A 10 1.678 1.335 6.461 1.00 21.12 C ATOM 155 O LEU A 10 1.210 2.294 7.076 1.00 71.53 O ATOM 156 CB LEU A 10 3.226 -0.543 7.039 1.00 32.24 C ATOM 157 CG LEU A 10 3.435 -2.027 7.343 1.00 34.13 C ATOM 158 CD1 LEU A 10 4.910 -2.386 7.263 1.00 62.13 C ATOM 159 CD2 LEU A 10 2.873 -2.375 8.714 1.00 3.23 C ATOM 0 H LEU A 10 1.347 -1.768 6.015 1.00 25.43 H new ATOM 0 HA LEU A 10 1.495 0.056 8.164 1.00 70.21 H new ATOM 0 HB2 LEU A 10 3.607 -0.341 6.038 1.00 32.24 H new ATOM 0 HB3 LEU A 10 3.832 0.039 7.734 1.00 32.24 H new ATOM 0 HG LEU A 10 2.899 -2.610 6.594 1.00 34.13 H new ATOM 0 HD11 LEU A 10 5.039 -3.446 7.482 1.00 62.13 H new ATOM 0 HD12 LEU A 10 5.282 -2.175 6.260 1.00 62.13 H new ATOM 0 HD13 LEU A 10 5.468 -1.795 7.989 1.00 62.13 H new ATOM 0 HD21 LEU A 10 3.031 -3.435 8.913 1.00 3.23 H new ATOM 0 HD22 LEU A 10 3.380 -1.783 9.476 1.00 3.23 H new ATOM 0 HD23 LEU A 10 1.805 -2.157 8.736 1.00 3.23 H new ATOM 171 N VAL A 11 2.114 1.422 5.209 1.00 43.24 N ATOM 172 CA VAL A 11 2.066 2.677 4.468 1.00 54.02 C ATOM 173 C VAL A 11 2.317 2.448 2.982 1.00 65.03 C ATOM 174 O VAL A 11 3.001 1.501 2.596 1.00 71.41 O ATOM 175 CB VAL A 11 3.100 3.685 5.003 1.00 14.31 C ATOM 176 CG1 VAL A 11 4.514 3.204 4.715 1.00 34.04 C ATOM 177 CG2 VAL A 11 2.863 5.062 4.400 1.00 70.54 C ATOM 0 H VAL A 11 2.505 0.638 4.686 1.00 43.24 H new ATOM 0 HA VAL A 11 1.066 3.087 4.605 1.00 54.02 H new ATOM 0 HB VAL A 11 2.981 3.761 6.084 1.00 14.31 H new ATOM 0 HG11 VAL A 11 5.231 3.929 5.100 1.00 34.04 H new ATOM 0 HG12 VAL A 11 4.676 2.241 5.199 1.00 34.04 H new ATOM 0 HG13 VAL A 11 4.650 3.097 3.639 1.00 34.04 H new ATOM 0 HG21 VAL A 11 3.603 5.762 4.789 1.00 70.54 H new ATOM 0 HG22 VAL A 11 2.953 5.005 3.315 1.00 70.54 H new ATOM 0 HG23 VAL A 11 1.863 5.407 4.663 1.00 70.54 H new ATOM 187 N GLY A 12 1.760 3.324 2.151 1.00 62.34 N ATOM 188 CA GLY A 12 1.936 3.200 0.715 1.00 22.14 C ATOM 189 C GLY A 12 1.291 4.340 -0.048 1.00 63.52 C ATOM 190 O GLY A 12 1.661 5.501 0.127 1.00 61.40 O ATOM 0 H GLY A 12 1.190 4.117 2.446 1.00 62.34 H new ATOM 0 HA2 GLY A 12 3.001 3.168 0.484 1.00 22.14 H new ATOM 0 HA3 GLY A 12 1.509 2.255 0.380 1.00 22.14 H new ATOM 194 N ARG A 13 0.326 4.008 -0.899 1.00 34.01 N ATOM 195 CA ARG A 13 -0.370 5.012 -1.694 1.00 40.53 C ATOM 196 C ARG A 13 0.604 5.756 -2.604 1.00 1.15 C ATOM 197 O ARG A 13 0.639 6.987 -2.617 1.00 65.44 O ATOM 198 CB ARG A 13 -1.092 6.006 -0.782 1.00 73.41 C ATOM 199 CG ARG A 13 -2.059 5.348 0.189 1.00 13.41 C ATOM 200 CD ARG A 13 -3.479 5.345 -0.355 1.00 52.02 C ATOM 201 NE ARG A 13 -4.148 6.627 -0.148 1.00 30.43 N ATOM 202 CZ ARG A 13 -5.440 6.827 -0.380 1.00 54.33 C ATOM 203 NH1 ARG A 13 -6.199 5.835 -0.825 1.00 51.34 N ATOM 204 NH2 ARG A 13 -5.976 8.022 -0.167 1.00 53.32 N ATOM 0 H ARG A 13 0.008 3.051 -1.056 1.00 34.01 H new ATOM 0 HA ARG A 13 -1.104 4.501 -2.316 1.00 40.53 H new ATOM 0 HB2 ARG A 13 -0.352 6.572 -0.217 1.00 73.41 H new ATOM 0 HB3 ARG A 13 -1.638 6.721 -1.398 1.00 73.41 H new ATOM 0 HG2 ARG A 13 -1.741 4.324 0.383 1.00 13.41 H new ATOM 0 HG3 ARG A 13 -2.035 5.876 1.142 1.00 13.41 H new ATOM 0 HD2 ARG A 13 -3.458 5.115 -1.420 1.00 52.02 H new ATOM 0 HD3 ARG A 13 -4.052 4.555 0.131 1.00 52.02 H new ATOM 0 HE ARG A 13 -3.592 7.411 0.193 1.00 30.43 H new ATOM 0 HH11 ARG A 13 -5.791 4.915 -0.990 1.00 51.34 H new ATOM 0 HH12 ARG A 13 -7.191 5.992 -1.002 1.00 51.34 H new ATOM 0 HH21 ARG A 13 -5.395 8.788 0.175 1.00 53.32 H new ATOM 0 HH22 ARG A 13 -6.969 8.175 -0.345 1.00 53.32 H new ATOM 218 N ARG A 14 1.393 5.001 -3.361 1.00 20.34 N ATOM 219 CA ARG A 14 2.369 5.588 -4.271 1.00 74.11 C ATOM 220 C ARG A 14 2.178 5.057 -5.689 1.00 33.33 C ATOM 221 O ARG A 14 3.137 4.928 -6.448 1.00 52.53 O ATOM 222 CB ARG A 14 3.790 5.290 -3.791 1.00 1.25 C ATOM 223 CG ARG A 14 4.121 3.807 -3.750 1.00 2.34 C ATOM 224 CD ARG A 14 3.818 3.206 -2.386 1.00 4.41 C ATOM 225 NE ARG A 14 4.598 3.838 -1.324 1.00 72.43 N ATOM 226 CZ ARG A 14 5.883 3.584 -1.107 1.00 4.15 C ATOM 227 NH1 ARG A 14 6.531 2.717 -1.873 1.00 12.30 N ATOM 228 NH2 ARG A 14 6.524 4.199 -0.121 1.00 23.25 N ATOM 0 H ARG A 14 1.375 3.981 -3.362 1.00 20.34 H new ATOM 0 HA ARG A 14 2.215 6.667 -4.281 1.00 74.11 H new ATOM 0 HB2 ARG A 14 4.499 5.794 -4.448 1.00 1.25 H new ATOM 0 HB3 ARG A 14 3.924 5.711 -2.795 1.00 1.25 H new ATOM 0 HG2 ARG A 14 3.547 3.284 -4.515 1.00 2.34 H new ATOM 0 HG3 ARG A 14 5.175 3.662 -3.987 1.00 2.34 H new ATOM 0 HD2 ARG A 14 2.755 3.315 -2.170 1.00 4.41 H new ATOM 0 HD3 ARG A 14 4.031 2.137 -2.405 1.00 4.41 H new ATOM 0 HE ARG A 14 4.130 4.511 -0.717 1.00 72.43 H new ATOM 0 HH11 ARG A 14 6.042 2.242 -2.632 1.00 12.30 H new ATOM 0 HH12 ARG A 14 7.518 2.525 -1.703 1.00 12.30 H new ATOM 0 HH21 ARG A 14 6.029 4.867 0.470 1.00 23.25 H new ATOM 0 HH22 ARG A 14 7.511 4.004 0.046 1.00 23.25 H new ATOM 242 N ASN A 15 0.933 4.749 -6.037 1.00 74.12 N ATOM 243 CA ASN A 15 0.616 4.230 -7.363 1.00 51.40 C ATOM 244 C ASN A 15 -0.894 4.157 -7.572 1.00 64.31 C ATOM 245 O ASN A 15 -1.756 3.913 -6.762 1.00 1.41 O ATOM 246 CB ASN A 15 1.237 2.845 -7.553 1.00 73.03 C ATOM 247 CG ASN A 15 2.545 2.898 -8.318 1.00 23.21 C ATOM 248 OD1 ASN A 15 3.610 2.612 -7.769 1.00 74.23 O ATOM 249 ND2 ASN A 15 2.472 3.265 -9.592 1.00 15.42 N ATOM 0 H ASN A 15 0.127 4.850 -5.420 1.00 74.12 H new ATOM 0 HA ASN A 15 1.034 4.912 -8.103 1.00 51.40 H new ATOM 0 HB2 ASN A 15 1.408 2.390 -6.578 1.00 73.03 H new ATOM 0 HB3 ASN A 15 0.534 2.204 -8.085 1.00 73.03 H new ATOM 0 HD21 ASN A 15 3.320 3.319 -10.157 1.00 15.42 H new ATOM 0 HD22 ASN A 15 1.568 3.493 -10.006 1.00 15.42 H new HETATM 256 C ILM A 16 -2.972 3.733 -10.498 1.00 43.22 C HETATM 257 N ILM A 16 -1.339 4.396 -8.844 1.00 55.20 N HETATM 258 O ILM A 16 -2.689 4.358 -11.493 1.00 13.34 O HETATM 259 O1 ILM A 16 -3.450 2.536 -10.855 1.00 33.14 O HETATM 260 CA ILM A 16 -2.759 4.347 -9.136 1.00 71.22 C HETATM 261 CB ILM A 16 -3.329 5.759 -9.121 1.00 53.14 C HETATM 262 CD1 ILM A 16 -3.612 7.817 -7.753 1.00 73.14 C HETATM 263 CE1 ILM A 16 -3.551 2.196 -12.211 1.00 13.43 C HETATM 264 CG1 ILM A 16 -3.154 6.364 -7.736 1.00 4.32 C HETATM 265 CG2 ILM A 16 -4.811 5.711 -9.471 1.00 24.14 C TER 280 ILM A 16