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 2.029 0.337 -1.410 1.00 50.04 C ATOM 2 C GLY A 1 1.259 0.783 -2.638 1.00 32.35 C ATOM 3 O GLY A 1 1.839 0.983 -3.705 1.00 44.23 O ATOM 6 N LEU A 2 -0.052 0.937 -2.488 1.00 31.25 N ATOM 7 CA LEU A 2 -0.904 1.360 -3.593 1.00 52.24 C ATOM 8 C LEU A 2 -1.936 2.381 -3.125 1.00 75.15 C ATOM 9 O LEU A 2 -2.199 2.509 -1.930 1.00 12.34 O ATOM 10 CB LEU A 2 -1.609 0.152 -4.212 1.00 31.55 C ATOM 11 CG LEU A 2 -0.700 -0.920 -4.815 1.00 1.24 C ATOM 12 CD1 LEU A 2 -0.279 -1.923 -3.752 1.00 0.33 C ATOM 13 CD2 LEU A 2 -1.399 -1.624 -5.968 1.00 65.44 C ATOM 0 H LEU A 2 -0.548 0.775 -1.611 1.00 31.25 H new ATOM 0 HA LEU A 2 -0.272 1.829 -4.347 1.00 52.24 H new ATOM 0 HB2 LEU A 2 -2.228 -0.314 -3.445 1.00 31.55 H new ATOM 0 HB3 LEU A 2 -2.282 0.509 -4.991 1.00 31.55 H new ATOM 0 HG LEU A 2 0.196 -0.434 -5.201 1.00 1.24 H new ATOM 0 HD11 LEU A 2 0.367 -2.678 -4.200 1.00 0.33 H new ATOM 0 HD12 LEU A 2 0.262 -1.407 -2.959 1.00 0.33 H new ATOM 0 HD13 LEU A 2 -1.164 -2.404 -3.335 1.00 0.33 H new ATOM 0 HD21 LEU A 2 -0.738 -2.383 -6.385 1.00 65.44 H new ATOM 0 HD22 LEU A 2 -2.312 -2.097 -5.606 1.00 65.44 H new ATOM 0 HD23 LEU A 2 -1.649 -0.897 -6.740 1.00 65.44 H new ATOM 25 N ARG A 3 -2.520 3.103 -4.076 1.00 40.23 N ATOM 26 CA ARG A 3 -3.524 4.112 -3.762 1.00 35.24 C ATOM 27 C ARG A 3 -4.921 3.624 -4.136 1.00 61.13 C ATOM 28 O ARG A 3 -5.718 3.267 -3.269 1.00 21.42 O ATOM 29 CB ARG A 3 -3.215 5.417 -4.496 1.00 44.51 C ATOM 30 CG ARG A 3 -4.233 6.517 -4.240 1.00 25.21 C ATOM 31 CD ARG A 3 -4.020 7.701 -5.170 1.00 71.44 C ATOM 32 NE ARG A 3 -3.757 8.935 -4.435 1.00 34.31 N ATOM 33 CZ ARG A 3 -2.567 9.258 -3.943 1.00 23.43 C ATOM 34 NH1 ARG A 3 -1.534 8.442 -4.107 1.00 53.11 N ATOM 35 NH2 ARG A 3 -2.407 10.399 -3.285 1.00 24.22 N ATOM 0 H ARG A 3 -2.315 3.008 -5.071 1.00 40.23 H new ATOM 0 HA ARG A 3 -3.496 4.293 -2.687 1.00 35.24 H new ATOM 0 HB2 ARG A 3 -2.229 5.769 -4.194 1.00 44.51 H new ATOM 0 HB3 ARG A 3 -3.168 5.219 -5.567 1.00 44.51 H new ATOM 0 HG2 ARG A 3 -5.240 6.122 -4.377 1.00 25.21 H new ATOM 0 HG3 ARG A 3 -4.159 6.849 -3.204 1.00 25.21 H new ATOM 0 HD2 ARG A 3 -3.184 7.492 -5.837 1.00 71.44 H new ATOM 0 HD3 ARG A 3 -4.902 7.833 -5.796 1.00 71.44 H new ATOM 0 HE ARG A 3 -4.530 9.585 -4.292 1.00 34.31 H new ATOM 0 HH11 ARG A 3 -1.653 7.564 -4.612 1.00 53.11 H new ATOM 0 HH12 ARG A 3 -0.621 8.693 -3.728 1.00 53.11 H new ATOM 0 HH21 ARG A 3 -3.199 11.029 -3.157 1.00 24.22 H new ATOM 0 HH22 ARG A 3 -1.492 10.646 -2.907 1.00 24.22 H new ATOM 49 N ARG A 4 -5.210 3.613 -5.434 1.00 23.55 N ATOM 50 CA ARG A 4 -6.510 3.170 -5.923 1.00 0.42 C ATOM 51 C ARG A 4 -6.534 1.656 -6.110 1.00 14.23 C ATOM 52 O ARG A 4 -7.486 0.986 -5.708 1.00 33.40 O ATOM 53 CB ARG A 4 -6.844 3.864 -7.245 1.00 63.41 C ATOM 54 CG ARG A 4 -8.316 4.207 -7.398 1.00 74.11 C ATOM 55 CD ARG A 4 -8.511 5.470 -8.222 1.00 13.32 C ATOM 56 NE ARG A 4 -9.843 5.535 -8.819 1.00 23.44 N ATOM 57 CZ ARG A 4 -10.142 6.293 -9.867 1.00 51.21 C ATOM 58 NH1 ARG A 4 -9.209 7.048 -10.432 1.00 34.42 N ATOM 59 NH2 ARG A 4 -11.377 6.298 -10.353 1.00 62.12 N ATOM 0 H ARG A 4 -4.562 3.906 -6.165 1.00 23.55 H new ATOM 0 HA ARG A 4 -7.261 3.438 -5.180 1.00 0.42 H new ATOM 0 HB2 ARG A 4 -6.256 4.779 -7.324 1.00 63.41 H new ATOM 0 HB3 ARG A 4 -6.542 3.219 -8.070 1.00 63.41 H new ATOM 0 HG2 ARG A 4 -8.837 3.376 -7.875 1.00 74.11 H new ATOM 0 HG3 ARG A 4 -8.764 4.341 -6.413 1.00 74.11 H new ATOM 0 HD2 ARG A 4 -8.355 6.343 -7.589 1.00 13.32 H new ATOM 0 HD3 ARG A 4 -7.759 5.509 -9.010 1.00 13.32 H new ATOM 0 HE ARG A 4 -10.584 4.967 -8.408 1.00 23.44 H new ATOM 0 HH11 ARG A 4 -8.259 7.047 -10.061 1.00 34.42 H new ATOM 0 HH12 ARG A 4 -9.442 7.629 -11.237 1.00 34.42 H new ATOM 0 HH21 ARG A 4 -12.097 5.719 -9.921 1.00 62.12 H new ATOM 0 HH22 ARG A 4 -11.606 6.881 -11.158 1.00 62.12 H new ATOM 73 N LEU A 5 -5.482 1.124 -6.722 1.00 35.01 N ATOM 74 CA LEU A 5 -5.383 -0.311 -6.963 1.00 22.42 C ATOM 75 C LEU A 5 -5.616 -1.097 -5.676 1.00 51.03 C ATOM 76 O LEU A 5 -6.243 -2.156 -5.689 1.00 32.44 O ATOM 77 CB LEU A 5 -4.010 -0.657 -7.543 1.00 53.11 C ATOM 78 CG LEU A 5 -3.925 -0.730 -9.068 1.00 74.40 C ATOM 79 CD1 LEU A 5 -2.485 -0.926 -9.514 1.00 23.53 C ATOM 80 CD2 LEU A 5 -4.807 -1.852 -9.598 1.00 21.02 C ATOM 0 H LEU A 5 -4.686 1.664 -7.060 1.00 35.01 H new ATOM 0 HA LEU A 5 -6.155 -0.588 -7.681 1.00 22.42 H new ATOM 0 HB2 LEU A 5 -3.293 0.086 -7.194 1.00 53.11 H new ATOM 0 HB3 LEU A 5 -3.697 -1.618 -7.135 1.00 53.11 H new ATOM 0 HG LEU A 5 -4.285 0.213 -9.478 1.00 74.40 H new ATOM 0 HD11 LEU A 5 -2.445 -0.976 -10.602 1.00 23.53 H new ATOM 0 HD12 LEU A 5 -1.879 -0.089 -9.166 1.00 23.53 H new ATOM 0 HD13 LEU A 5 -2.097 -1.854 -9.094 1.00 23.53 H new ATOM 0 HD21 LEU A 5 -4.734 -1.889 -10.685 1.00 21.02 H new ATOM 0 HD22 LEU A 5 -4.477 -2.803 -9.179 1.00 21.02 H new ATOM 0 HD23 LEU A 5 -5.842 -1.668 -9.310 1.00 21.02 H new ATOM 92 N PHE A 6 -5.109 -0.570 -4.567 1.00 11.41 N ATOM 93 CA PHE A 6 -5.263 -1.221 -3.271 1.00 52.32 C ATOM 94 C PHE A 6 -4.658 -0.369 -2.159 1.00 51.01 C ATOM 95 O PHE A 6 -4.022 0.652 -2.421 1.00 32.44 O ATOM 96 CB PHE A 6 -4.603 -2.601 -3.289 1.00 10.15 C ATOM 97 CG PHE A 6 -5.296 -3.608 -2.416 1.00 1.25 C ATOM 98 CD1 PHE A 6 -6.638 -3.899 -2.602 1.00 3.14 C ATOM 99 CD2 PHE A 6 -4.605 -4.264 -1.409 1.00 53.42 C ATOM 100 CE1 PHE A 6 -7.278 -4.824 -1.799 1.00 63.31 C ATOM 101 CE2 PHE A 6 -5.240 -5.190 -0.604 1.00 21.43 C ATOM 102 CZ PHE A 6 -6.578 -5.472 -0.800 1.00 3.22 C ATOM 0 H PHE A 6 -4.588 0.306 -4.539 1.00 11.41 H new ATOM 0 HA PHE A 6 -6.329 -1.338 -3.075 1.00 52.32 H new ATOM 0 HB2 PHE A 6 -4.584 -2.972 -4.314 1.00 10.15 H new ATOM 0 HB3 PHE A 6 -3.567 -2.504 -2.966 1.00 10.15 H new ATOM 0 HD1 PHE A 6 -7.190 -3.397 -3.383 1.00 3.14 H new ATOM 0 HD2 PHE A 6 -3.558 -4.049 -1.252 1.00 53.42 H new ATOM 0 HE1 PHE A 6 -8.325 -5.040 -1.953 1.00 63.31 H new ATOM 0 HE2 PHE A 6 -4.691 -5.693 0.178 1.00 21.43 H new ATOM 0 HZ PHE A 6 -7.076 -6.197 -0.174 1.00 3.22 H new ATOM 112 N ALA A 7 -4.862 -0.796 -0.917 1.00 62.43 N ATOM 113 CA ALA A 7 -4.336 -0.075 0.235 1.00 42.12 C ATOM 114 C ALA A 7 -3.320 -0.920 0.995 1.00 64.41 C ATOM 115 O ALA A 7 -3.473 -2.135 1.111 1.00 25.54 O ATOM 116 CB ALA A 7 -5.470 0.346 1.157 1.00 35.10 C ATOM 0 H ALA A 7 -5.388 -1.638 -0.683 1.00 62.43 H new ATOM 0 HA ALA A 7 -3.827 0.818 -0.128 1.00 42.12 H new ATOM 0 HB1 ALA A 7 -5.062 0.883 2.013 1.00 35.10 H new ATOM 0 HB2 ALA A 7 -6.158 0.995 0.615 1.00 35.10 H new ATOM 0 HB3 ALA A 7 -6.004 -0.539 1.505 1.00 35.10 H new ATOM 122 N ASN A 8 -2.282 -0.269 1.510 1.00 63.12 N ATOM 123 CA ASN A 8 -1.239 -0.962 2.258 1.00 72.20 C ATOM 124 C ASN A 8 -1.490 -0.864 3.760 1.00 52.54 C ATOM 125 O ASN A 8 -1.884 0.187 4.265 1.00 42.44 O ATOM 126 CB ASN A 8 0.134 -0.378 1.920 1.00 61.53 C ATOM 127 CG ASN A 8 0.462 -0.491 0.443 1.00 3.34 C ATOM 128 OD1 ASN A 8 -0.314 -1.043 -0.336 1.00 51.02 O ATOM 129 ND2 ASN A 8 1.618 0.034 0.053 1.00 51.12 N ATOM 0 H ASN A 8 -2.141 0.737 1.423 1.00 63.12 H new ATOM 0 HA ASN A 8 -1.259 -2.014 1.972 1.00 72.20 H new ATOM 0 HB2 ASN A 8 0.163 0.670 2.217 1.00 61.53 H new ATOM 0 HB3 ASN A 8 0.899 -0.895 2.500 1.00 61.53 H new ATOM 0 HD22 ASN A 8 2.230 0.482 0.735 1.00 51.12 H new ATOM 135 N GLN A 9 -1.259 -1.965 4.466 1.00 30.13 N ATOM 136 CA GLN A 9 -1.460 -2.002 5.910 1.00 33.30 C ATOM 137 C GLN A 9 -0.597 -0.956 6.607 1.00 12.30 C ATOM 138 O GLN A 9 -1.103 0.054 7.098 1.00 0.50 O ATOM 139 CB GLN A 9 -1.136 -3.394 6.456 1.00 43.12 C ATOM 140 CG GLN A 9 -1.344 -3.523 7.956 1.00 12.21 C ATOM 141 CD GLN A 9 -2.810 -3.595 8.337 1.00 23.35 C ATOM 142 OE1 GLN A 9 -3.503 -4.557 8.005 1.00 62.12 O ATOM 143 NE2 GLN A 9 -3.290 -2.576 9.040 1.00 41.22 N ATOM 0 H GLN A 9 -0.933 -2.843 4.063 1.00 30.13 H new ATOM 0 HA GLN A 9 -2.507 -1.775 6.111 1.00 33.30 H new ATOM 0 HB2 GLN A 9 -1.759 -4.129 5.947 1.00 43.12 H new ATOM 0 HB3 GLN A 9 -0.100 -3.636 6.219 1.00 43.12 H new ATOM 0 HG2 GLN A 9 -0.835 -4.418 8.314 1.00 12.21 H new ATOM 0 HG3 GLN A 9 -0.883 -2.672 8.458 1.00 12.21 H new ATOM 0 HE21 GLN A 9 -2.680 -1.799 9.294 1.00 41.22 H new ATOM 0 HE22 GLN A 9 -4.269 -2.570 9.326 1.00 41.22 H new ATOM 152 N LEU A 10 0.707 -1.204 6.647 1.00 2.44 N ATOM 153 CA LEU A 10 1.642 -0.282 7.285 1.00 73.50 C ATOM 154 C LEU A 10 1.592 1.090 6.621 1.00 13.04 C ATOM 155 O LEU A 10 1.154 2.068 7.227 1.00 40.51 O ATOM 156 CB LEU A 10 3.064 -0.842 7.220 1.00 40.41 C ATOM 157 CG LEU A 10 3.218 -2.325 7.559 1.00 45.41 C ATOM 158 CD1 LEU A 10 4.682 -2.734 7.509 1.00 62.02 C ATOM 159 CD2 LEU A 10 2.626 -2.623 8.928 1.00 32.23 C ATOM 0 H LEU A 10 1.142 -2.035 6.246 1.00 2.44 H new ATOM 0 HA LEU A 10 1.349 -0.170 8.329 1.00 73.50 H new ATOM 0 HB2 LEU A 10 3.452 -0.678 6.215 1.00 40.41 H new ATOM 0 HB3 LEU A 10 3.691 -0.267 7.902 1.00 40.41 H new ATOM 0 HG LEU A 10 2.673 -2.907 6.815 1.00 45.41 H new ATOM 0 HD11 LEU A 10 4.773 -3.792 7.753 1.00 62.02 H new ATOM 0 HD12 LEU A 10 5.075 -2.557 6.508 1.00 62.02 H new ATOM 0 HD13 LEU A 10 5.249 -2.146 8.230 1.00 62.02 H new ATOM 0 HD21 LEU A 10 2.744 -3.683 9.153 1.00 32.23 H new ATOM 0 HD22 LEU A 10 3.142 -2.032 9.684 1.00 32.23 H new ATOM 0 HD23 LEU A 10 1.566 -2.368 8.929 1.00 32.23 H new ATOM 171 N VAL A 11 2.041 1.154 5.372 1.00 2.41 N ATOM 172 CA VAL A 11 2.045 2.406 4.624 1.00 13.14 C ATOM 173 C VAL A 11 1.935 2.151 3.125 1.00 13.14 C ATOM 174 O VAL A 11 2.501 1.191 2.605 1.00 33.42 O ATOM 175 CB VAL A 11 3.321 3.223 4.903 1.00 73.41 C ATOM 176 CG1 VAL A 11 4.557 2.442 4.483 1.00 33.43 C ATOM 177 CG2 VAL A 11 3.260 4.565 4.189 1.00 22.33 C ATOM 0 H VAL A 11 2.407 0.354 4.856 1.00 2.41 H new ATOM 0 HA VAL A 11 1.178 2.976 4.957 1.00 13.14 H new ATOM 0 HB VAL A 11 3.386 3.410 5.975 1.00 73.41 H new ATOM 0 HG11 VAL A 11 5.449 3.035 4.687 1.00 33.43 H new ATOM 0 HG12 VAL A 11 4.605 1.508 5.043 1.00 33.43 H new ATOM 0 HG13 VAL A 11 4.504 2.223 3.417 1.00 33.43 H new ATOM 0 HG21 VAL A 11 4.169 5.129 4.397 1.00 22.33 H new ATOM 0 HG22 VAL A 11 3.172 4.402 3.115 1.00 22.33 H new ATOM 0 HG23 VAL A 11 2.395 5.127 4.543 1.00 22.33 H new ATOM 187 N GLY A 12 1.202 3.020 2.435 1.00 73.51 N ATOM 188 CA GLY A 12 1.031 2.871 1.001 1.00 12.45 C ATOM 189 C GLY A 12 0.587 4.158 0.334 1.00 4.34 C ATOM 190 O GLY A 12 1.063 5.240 0.680 1.00 52.11 O ATOM 0 H GLY A 12 0.724 3.824 2.843 1.00 73.51 H new ATOM 0 HA2 GLY A 12 1.971 2.541 0.558 1.00 12.45 H new ATOM 0 HA3 GLY A 12 0.295 2.091 0.805 1.00 12.45 H new ATOM 194 N ARG A 13 -0.325 4.042 -0.625 1.00 64.22 N ATOM 195 CA ARG A 13 -0.830 5.205 -1.344 1.00 42.14 C ATOM 196 C ARG A 13 0.305 5.944 -2.048 1.00 13.11 C ATOM 197 O ARG A 13 0.554 7.119 -1.779 1.00 52.53 O ATOM 198 CB ARG A 13 -1.551 6.152 -0.383 1.00 62.02 C ATOM 199 CG ARG A 13 -2.491 5.444 0.578 1.00 32.13 C ATOM 200 CD ARG A 13 -3.660 4.805 -0.155 1.00 32.11 C ATOM 201 NE ARG A 13 -4.861 4.748 0.674 1.00 12.32 N ATOM 202 CZ ARG A 13 -5.604 5.810 0.965 1.00 53.31 C ATOM 203 NH1 ARG A 13 -5.272 7.005 0.496 1.00 65.13 N ATOM 204 NH2 ARG A 13 -6.683 5.678 1.726 1.00 12.50 N ATOM 0 H ARG A 13 -0.730 3.154 -0.922 1.00 64.22 H new ATOM 0 HA ARG A 13 -1.536 4.857 -2.098 1.00 42.14 H new ATOM 0 HB2 ARG A 13 -0.809 6.708 0.191 1.00 62.02 H new ATOM 0 HB3 ARG A 13 -2.118 6.881 -0.962 1.00 62.02 H new ATOM 0 HG2 ARG A 13 -1.943 4.679 1.127 1.00 32.13 H new ATOM 0 HG3 ARG A 13 -2.866 6.156 1.313 1.00 32.13 H new ATOM 0 HD2 ARG A 13 -3.872 5.371 -1.062 1.00 32.11 H new ATOM 0 HD3 ARG A 13 -3.386 3.797 -0.465 1.00 32.11 H new ATOM 0 HE ARG A 13 -5.145 3.843 1.050 1.00 12.32 H new ATOM 0 HH11 ARG A 13 -4.444 7.111 -0.090 1.00 65.13 H new ATOM 0 HH12 ARG A 13 -5.845 7.818 0.721 1.00 65.13 H new ATOM 0 HH21 ARG A 13 -6.943 4.760 2.088 1.00 12.50 H new ATOM 0 HH22 ARG A 13 -7.253 6.494 1.949 1.00 12.50 H new ATOM 218 N ARG A 14 0.989 5.247 -2.949 1.00 21.10 N ATOM 219 CA ARG A 14 2.098 5.836 -3.690 1.00 10.24 C ATOM 220 C ARG A 14 1.799 5.864 -5.186 1.00 30.43 C ATOM 221 O ARG A 14 2.182 6.798 -5.888 1.00 53.20 O ATOM 222 CB ARG A 14 3.386 5.053 -3.430 1.00 70.44 C ATOM 223 CG ARG A 14 3.205 3.545 -3.497 1.00 65.11 C ATOM 224 CD ARG A 14 4.395 2.870 -4.162 1.00 50.33 C ATOM 225 NE ARG A 14 5.666 3.357 -3.633 1.00 64.33 N ATOM 226 CZ ARG A 14 6.838 3.137 -4.219 1.00 42.52 C ATOM 227 NH1 ARG A 14 6.899 2.444 -5.348 1.00 25.04 N ATOM 228 NH2 ARG A 14 7.952 3.613 -3.677 1.00 31.13 N ATOM 0 H ARG A 14 0.795 4.274 -3.184 1.00 21.10 H new ATOM 0 HA ARG A 14 2.229 6.862 -3.345 1.00 10.24 H new ATOM 0 HB2 ARG A 14 4.138 5.353 -4.160 1.00 70.44 H new ATOM 0 HB3 ARG A 14 3.772 5.321 -2.447 1.00 70.44 H new ATOM 0 HG2 ARG A 14 3.076 3.148 -2.490 1.00 65.11 H new ATOM 0 HG3 ARG A 14 2.296 3.311 -4.051 1.00 65.11 H new ATOM 0 HD2 ARG A 14 4.330 1.792 -4.014 1.00 50.33 H new ATOM 0 HD3 ARG A 14 4.358 3.047 -5.237 1.00 50.33 H new ATOM 0 HE ARG A 14 5.653 3.895 -2.767 1.00 64.33 H new ATOM 0 HH11 ARG A 14 6.045 2.078 -5.769 1.00 25.04 H new ATOM 0 HH12 ARG A 14 7.800 2.277 -5.796 1.00 25.04 H new ATOM 0 HH21 ARG A 14 7.909 4.148 -2.810 1.00 31.13 H new ATOM 0 HH22 ARG A 14 8.851 3.444 -4.128 1.00 31.13 H new ATOM 242 N ASN A 15 1.113 4.831 -5.666 1.00 11.42 N ATOM 243 CA ASN A 15 0.763 4.737 -7.079 1.00 25.45 C ATOM 244 C ASN A 15 -0.668 4.238 -7.253 1.00 22.34 C ATOM 245 O ASN A 15 -1.271 3.431 -6.586 1.00 53.01 O ATOM 246 CB ASN A 15 1.733 3.801 -7.803 1.00 43.35 C ATOM 247 CG ASN A 15 2.128 4.325 -9.171 1.00 22.21 C ATOM 248 OD1 ASN A 15 1.698 3.798 -10.197 1.00 44.33 O ATOM 249 ND2 ASN A 15 2.951 5.367 -9.190 1.00 62.32 N ATOM 0 H ASN A 15 0.789 4.048 -5.098 1.00 11.42 H new ATOM 0 HA ASN A 15 0.836 5.734 -7.514 1.00 25.45 H new ATOM 0 HB2 ASN A 15 2.628 3.668 -7.195 1.00 43.35 H new ATOM 0 HB3 ASN A 15 1.273 2.819 -7.912 1.00 43.35 H new ATOM 0 HD21 ASN A 15 3.252 5.763 -10.081 1.00 62.32 H new ATOM 0 HD22 ASN A 15 3.282 5.771 -8.314 1.00 62.32 H new HETATM 256 C ILM A 16 -2.742 3.128 -9.425 1.00 64.33 C HETATM 257 N ILM A 16 -1.369 4.769 -8.301 1.00 71.24 N HETATM 258 O ILM A 16 -2.973 2.042 -8.948 1.00 44.15 O HETATM 259 O1 ILM A 16 -2.523 2.992 -10.738 1.00 71.01 O HETATM 260 CA ILM A 16 -2.737 4.353 -8.544 1.00 61.42 C HETATM 261 CB ILM A 16 -3.494 5.478 -9.236 1.00 52.34 C HETATM 262 CD1 ILM A 16 -4.033 7.904 -9.118 1.00 63.32 C HETATM 263 CE1 ILM A 16 -2.585 1.724 -11.332 1.00 73.00 C HETATM 264 CG1 ILM A 16 -3.528 6.701 -8.331 1.00 4.42 C HETATM 265 CG2 ILM A 16 -4.918 5.025 -9.531 1.00 2.04 C TER 280 ILM A 16