USER MOD reduce.3.24.130724 H: found=0, std=0, add=130, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 132 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 NoAdj-H: A 8 ASNHD21 : A 8 ASN ND2 : A 1 GLY CA :(H bumps) USER MOD Single : A 9 GLN : amide:sc= -0.0414 X(o=-0.041,f=0) USER MOD Single : A 15 ASN : amide:sc= -1.18 K(o=-1.2,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 1 CA GLY A 1 2.305 0.266 -1.534 1.00 21.20 C ATOM 2 C GLY A 1 1.581 0.959 -2.671 1.00 64.34 C ATOM 3 O GLY A 1 2.207 1.606 -3.512 1.00 53.23 O ATOM 6 N LEU A 2 0.260 0.822 -2.700 1.00 43.40 N ATOM 7 CA LEU A 2 -0.550 1.439 -3.744 1.00 51.54 C ATOM 8 C LEU A 2 -1.473 2.504 -3.160 1.00 33.32 C ATOM 9 O LEU A 2 -1.405 2.814 -1.970 1.00 62.53 O ATOM 10 CB LEU A 2 -1.375 0.377 -4.472 1.00 62.53 C ATOM 11 CG LEU A 2 -0.586 -0.781 -5.086 1.00 34.25 C ATOM 12 CD1 LEU A 2 -0.549 -1.966 -4.132 1.00 52.34 C ATOM 13 CD2 LEU A 2 -1.190 -1.188 -6.422 1.00 25.40 C ATOM 0 H LEU A 2 -0.273 0.289 -2.013 1.00 43.40 H new ATOM 0 HA LEU A 2 0.123 1.918 -4.455 1.00 51.54 H new ATOM 0 HB2 LEU A 2 -2.100 -0.035 -3.770 1.00 62.53 H new ATOM 0 HB3 LEU A 2 -1.941 0.866 -5.265 1.00 62.53 H new ATOM 0 HG LEU A 2 0.437 -0.448 -5.259 1.00 34.25 H new ATOM 0 HD11 LEU A 2 0.016 -2.780 -4.585 1.00 52.34 H new ATOM 0 HD12 LEU A 2 -0.071 -1.667 -3.199 1.00 52.34 H new ATOM 0 HD13 LEU A 2 -1.566 -2.300 -3.927 1.00 52.34 H new ATOM 0 HD21 LEU A 2 -0.616 -2.013 -6.845 1.00 25.40 H new ATOM 0 HD22 LEU A 2 -2.223 -1.503 -6.273 1.00 25.40 H new ATOM 0 HD23 LEU A 2 -1.164 -0.340 -7.106 1.00 25.40 H new ATOM 25 N ARG A 3 -2.338 3.058 -4.004 1.00 5.24 N ATOM 26 CA ARG A 3 -3.275 4.087 -3.570 1.00 74.23 C ATOM 27 C ARG A 3 -4.716 3.641 -3.802 1.00 33.04 C ATOM 28 O ARG A 3 -5.429 3.296 -2.859 1.00 24.33 O ATOM 29 CB ARG A 3 -3.010 5.396 -4.316 1.00 4.04 C ATOM 30 CG ARG A 3 -3.956 6.521 -3.928 1.00 23.42 C ATOM 31 CD ARG A 3 -3.952 7.634 -4.964 1.00 22.04 C ATOM 32 NE ARG A 3 -3.699 8.940 -4.362 1.00 2.41 N ATOM 33 CZ ARG A 3 -2.491 9.366 -4.010 1.00 65.13 C ATOM 34 NH1 ARG A 3 -1.430 8.592 -4.200 1.00 15.42 N ATOM 35 NH2 ARG A 3 -2.341 10.568 -3.468 1.00 62.23 N ATOM 0 H ARG A 3 -2.409 2.812 -4.991 1.00 5.24 H new ATOM 0 HA ARG A 3 -3.129 4.249 -2.502 1.00 74.23 H new ATOM 0 HB2 ARG A 3 -1.985 5.712 -4.124 1.00 4.04 H new ATOM 0 HB3 ARG A 3 -3.093 5.217 -5.388 1.00 4.04 H new ATOM 0 HG2 ARG A 3 -4.967 6.127 -3.819 1.00 23.42 H new ATOM 0 HG3 ARG A 3 -3.665 6.924 -2.958 1.00 23.42 H new ATOM 0 HD2 ARG A 3 -3.190 7.427 -5.715 1.00 22.04 H new ATOM 0 HD3 ARG A 3 -4.912 7.652 -5.480 1.00 22.04 H new ATOM 0 HE ARG A 3 -4.494 9.559 -4.203 1.00 2.41 H new ATOM 0 HH11 ARG A 3 -1.541 7.668 -4.617 1.00 15.42 H new ATOM 0 HH12 ARG A 3 -0.503 8.921 -3.929 1.00 15.42 H new ATOM 0 HH21 ARG A 3 -3.154 11.166 -3.321 1.00 62.23 H new ATOM 0 HH22 ARG A 3 -1.413 10.894 -3.198 1.00 62.23 H new ATOM 49 N ARG A 4 -5.139 3.652 -5.062 1.00 24.23 N ATOM 50 CA ARG A 4 -6.495 3.250 -5.417 1.00 5.45 C ATOM 51 C ARG A 4 -6.577 1.741 -5.627 1.00 14.42 C ATOM 52 O ARG A 4 -7.513 1.089 -5.161 1.00 41.22 O ATOM 53 CB ARG A 4 -6.950 3.978 -6.683 1.00 2.44 C ATOM 54 CG ARG A 4 -8.368 4.518 -6.598 1.00 52.12 C ATOM 55 CD ARG A 4 -9.389 3.469 -7.010 1.00 20.22 C ATOM 56 NE ARG A 4 -10.605 4.071 -7.550 1.00 32.42 N ATOM 57 CZ ARG A 4 -10.658 4.697 -8.720 1.00 11.32 C ATOM 58 NH1 ARG A 4 -9.569 4.803 -9.469 1.00 11.33 N ATOM 59 NH2 ARG A 4 -11.802 5.219 -9.143 1.00 53.12 N ATOM 0 H ARG A 4 -4.562 3.935 -5.854 1.00 24.23 H new ATOM 0 HA ARG A 4 -7.155 3.521 -4.593 1.00 5.45 H new ATOM 0 HB2 ARG A 4 -6.267 4.804 -6.883 1.00 2.44 H new ATOM 0 HB3 ARG A 4 -6.880 3.295 -7.530 1.00 2.44 H new ATOM 0 HG2 ARG A 4 -8.573 4.846 -5.579 1.00 52.12 H new ATOM 0 HG3 ARG A 4 -8.464 5.393 -7.240 1.00 52.12 H new ATOM 0 HD2 ARG A 4 -8.949 2.809 -7.757 1.00 20.22 H new ATOM 0 HD3 ARG A 4 -9.642 2.851 -6.148 1.00 20.22 H new ATOM 0 HE ARG A 4 -11.461 4.007 -6.998 1.00 32.42 H new ATOM 0 HH11 ARG A 4 -8.688 4.403 -9.147 1.00 11.33 H new ATOM 0 HH12 ARG A 4 -9.613 5.284 -10.367 1.00 11.33 H new ATOM 0 HH21 ARG A 4 -12.642 5.140 -8.569 1.00 53.12 H new ATOM 0 HH22 ARG A 4 -11.842 5.700 -10.042 1.00 53.12 H new ATOM 73 N LEU A 5 -5.594 1.193 -6.331 1.00 63.31 N ATOM 74 CA LEU A 5 -5.555 -0.240 -6.604 1.00 0.10 C ATOM 75 C LEU A 5 -5.726 -1.044 -5.319 1.00 51.21 C ATOM 76 O LEU A 5 -6.424 -2.058 -5.297 1.00 51.21 O ATOM 77 CB LEU A 5 -4.236 -0.614 -7.281 1.00 64.45 C ATOM 78 CG LEU A 5 -4.285 -0.784 -8.800 1.00 54.44 C ATOM 79 CD1 LEU A 5 -2.907 -1.123 -9.345 1.00 44.52 C ATOM 80 CD2 LEU A 5 -5.292 -1.859 -9.185 1.00 3.44 C ATOM 0 H LEU A 5 -4.813 1.718 -6.724 1.00 63.31 H new ATOM 0 HA LEU A 5 -6.381 -0.480 -7.274 1.00 0.10 H new ATOM 0 HB2 LEU A 5 -3.499 0.154 -7.045 1.00 64.45 H new ATOM 0 HB3 LEU A 5 -3.877 -1.545 -6.843 1.00 64.45 H new ATOM 0 HG LEU A 5 -4.605 0.160 -9.241 1.00 54.44 H new ATOM 0 HD11 LEU A 5 -2.962 -1.240 -10.427 1.00 44.52 H new ATOM 0 HD12 LEU A 5 -2.212 -0.319 -9.102 1.00 44.52 H new ATOM 0 HD13 LEU A 5 -2.557 -2.053 -8.897 1.00 44.52 H new ATOM 0 HD21 LEU A 5 -5.313 -1.966 -10.270 1.00 3.44 H new ATOM 0 HD22 LEU A 5 -5.003 -2.807 -8.732 1.00 3.44 H new ATOM 0 HD23 LEU A 5 -6.282 -1.574 -8.829 1.00 3.44 H new ATOM 92 N PHE A 6 -5.086 -0.583 -4.249 1.00 72.24 N ATOM 93 CA PHE A 6 -5.169 -1.259 -2.960 1.00 5.44 C ATOM 94 C PHE A 6 -4.344 -0.524 -1.907 1.00 43.51 C ATOM 95 O PHE A 6 -3.127 -0.688 -1.831 1.00 24.23 O ATOM 96 CB PHE A 6 -4.684 -2.704 -3.085 1.00 62.53 C ATOM 97 CG PHE A 6 -5.691 -3.717 -2.619 1.00 43.13 C ATOM 98 CD1 PHE A 6 -5.873 -3.960 -1.268 1.00 34.35 C ATOM 99 CD2 PHE A 6 -6.455 -4.425 -3.533 1.00 1.31 C ATOM 100 CE1 PHE A 6 -6.799 -4.892 -0.836 1.00 43.13 C ATOM 101 CE2 PHE A 6 -7.382 -5.357 -3.107 1.00 72.45 C ATOM 102 CZ PHE A 6 -7.555 -5.590 -1.757 1.00 61.42 C ATOM 0 H PHE A 6 -4.505 0.255 -4.249 1.00 72.24 H new ATOM 0 HA PHE A 6 -6.213 -1.259 -2.645 1.00 5.44 H new ATOM 0 HB2 PHE A 6 -4.433 -2.906 -4.126 1.00 62.53 H new ATOM 0 HB3 PHE A 6 -3.767 -2.822 -2.507 1.00 62.53 H new ATOM 0 HD1 PHE A 6 -5.285 -3.416 -0.544 1.00 34.35 H new ATOM 0 HD2 PHE A 6 -6.324 -4.246 -4.590 1.00 1.31 H new ATOM 0 HE1 PHE A 6 -6.931 -5.074 0.220 1.00 43.13 H new ATOM 0 HE2 PHE A 6 -7.971 -5.903 -3.829 1.00 72.45 H new ATOM 0 HZ PHE A 6 -8.280 -6.317 -1.422 1.00 61.42 H new ATOM 112 N ALA A 7 -5.016 0.288 -1.098 1.00 52.40 N ATOM 113 CA ALA A 7 -4.347 1.048 -0.049 1.00 71.12 C ATOM 114 C ALA A 7 -3.539 0.131 0.862 1.00 24.31 C ATOM 115 O ALA A 7 -4.081 -0.793 1.467 1.00 24.12 O ATOM 116 CB ALA A 7 -5.364 1.838 0.761 1.00 31.54 C ATOM 0 H ALA A 7 -6.024 0.437 -1.149 1.00 52.40 H new ATOM 0 HA ALA A 7 -3.657 1.746 -0.523 1.00 71.12 H new ATOM 0 HB1 ALA A 7 -4.850 2.401 1.541 1.00 31.54 H new ATOM 0 HB2 ALA A 7 -5.895 2.528 0.105 1.00 31.54 H new ATOM 0 HB3 ALA A 7 -6.077 1.152 1.219 1.00 31.54 H new ATOM 122 N ASN A 8 -2.239 0.392 0.954 1.00 3.04 N ATOM 123 CA ASN A 8 -1.355 -0.412 1.791 1.00 11.44 C ATOM 124 C ASN A 8 -1.746 -0.297 3.262 1.00 71.33 C ATOM 125 O ASN A 8 -2.081 0.785 3.742 1.00 0.10 O ATOM 126 CB ASN A 8 0.098 0.027 1.603 1.00 44.30 C ATOM 127 CG ASN A 8 0.668 -0.417 0.270 1.00 42.35 C ATOM 128 OD1 ASN A 8 0.050 -1.198 -0.453 1.00 75.02 O ATOM 129 ND2 ASN A 8 1.854 0.081 -0.062 1.00 52.02 N ATOM 0 H ASN A 8 -1.774 1.154 0.460 1.00 3.04 H new ATOM 0 HA ASN A 8 -1.455 -1.454 1.486 1.00 11.44 H new ATOM 0 HB2 ASN A 8 0.159 1.113 1.678 1.00 44.30 H new ATOM 0 HB3 ASN A 8 0.706 -0.383 2.410 1.00 44.30 H new ATOM 0 HD22 ASN A 8 2.331 0.726 0.568 1.00 52.02 H new ATOM 135 N GLN A 9 -1.700 -1.421 3.970 1.00 60.23 N ATOM 136 CA GLN A 9 -2.049 -1.447 5.385 1.00 14.31 C ATOM 137 C GLN A 9 -1.153 -0.506 6.184 1.00 30.51 C ATOM 138 O GLN A 9 -1.606 0.524 6.685 1.00 21.30 O ATOM 139 CB GLN A 9 -1.935 -2.870 5.935 1.00 41.42 C ATOM 140 CG GLN A 9 -2.430 -3.011 7.365 1.00 53.01 C ATOM 141 CD GLN A 9 -3.942 -3.079 7.455 1.00 71.32 C ATOM 142 OE1 GLN A 9 -4.581 -2.206 8.043 1.00 23.44 O ATOM 143 NE2 GLN A 9 -4.524 -4.120 6.870 1.00 43.13 N ATOM 0 H GLN A 9 -1.425 -2.325 3.587 1.00 60.23 H new ATOM 0 HA GLN A 9 -3.080 -1.109 5.485 1.00 14.31 H new ATOM 0 HB2 GLN A 9 -2.503 -3.545 5.295 1.00 41.42 H new ATOM 0 HB3 GLN A 9 -0.893 -3.187 5.887 1.00 41.42 H new ATOM 0 HG2 GLN A 9 -2.003 -3.911 7.806 1.00 53.01 H new ATOM 0 HG3 GLN A 9 -2.072 -2.167 7.954 1.00 53.01 H new ATOM 0 HE21 GLN A 9 -3.956 -4.820 6.393 1.00 43.13 H new ATOM 0 HE22 GLN A 9 -5.539 -4.219 6.897 1.00 43.13 H new ATOM 152 N LEU A 10 0.120 -0.867 6.300 1.00 21.51 N ATOM 153 CA LEU A 10 1.081 -0.056 7.039 1.00 21.01 C ATOM 154 C LEU A 10 1.184 1.344 6.443 1.00 41.13 C ATOM 155 O LEU A 10 0.786 2.327 7.067 1.00 14.33 O ATOM 156 CB LEU A 10 2.456 -0.727 7.034 1.00 33.21 C ATOM 157 CG LEU A 10 2.468 -2.233 7.299 1.00 23.13 C ATOM 158 CD1 LEU A 10 3.896 -2.757 7.335 1.00 15.25 C ATOM 159 CD2 LEU A 10 1.748 -2.551 8.602 1.00 63.34 C ATOM 0 H LEU A 10 0.511 -1.716 5.892 1.00 21.51 H new ATOM 0 HA LEU A 10 0.730 0.031 8.067 1.00 21.01 H new ATOM 0 HB2 LEU A 10 2.924 -0.545 6.066 1.00 33.21 H new ATOM 0 HB3 LEU A 10 3.078 -0.241 7.785 1.00 33.21 H new ATOM 0 HG LEU A 10 1.941 -2.730 6.485 1.00 23.13 H new ATOM 0 HD11 LEU A 10 3.885 -3.830 7.525 1.00 15.25 H new ATOM 0 HD12 LEU A 10 4.379 -2.563 6.377 1.00 15.25 H new ATOM 0 HD13 LEU A 10 4.448 -2.254 8.129 1.00 15.25 H new ATOM 0 HD21 LEU A 10 1.766 -3.627 8.775 1.00 63.34 H new ATOM 0 HD22 LEU A 10 2.247 -2.043 9.427 1.00 63.34 H new ATOM 0 HD23 LEU A 10 0.714 -2.211 8.539 1.00 63.34 H new ATOM 171 N VAL A 11 1.720 1.427 5.229 1.00 72.11 N ATOM 172 CA VAL A 11 1.872 2.706 4.546 1.00 1.11 C ATOM 173 C VAL A 11 2.187 2.506 3.068 1.00 73.11 C ATOM 174 O VAL A 11 2.773 1.497 2.678 1.00 32.12 O ATOM 175 CB VAL A 11 2.986 3.555 5.186 1.00 24.15 C ATOM 176 CG1 VAL A 11 4.346 2.911 4.960 1.00 74.04 C ATOM 177 CG2 VAL A 11 2.960 4.972 4.634 1.00 12.24 C ATOM 0 H VAL A 11 2.056 0.623 4.699 1.00 72.11 H new ATOM 0 HA VAL A 11 0.922 3.232 4.644 1.00 1.11 H new ATOM 0 HB VAL A 11 2.808 3.605 6.260 1.00 24.15 H new ATOM 0 HG11 VAL A 11 5.120 3.525 5.419 1.00 74.04 H new ATOM 0 HG12 VAL A 11 4.357 1.918 5.409 1.00 74.04 H new ATOM 0 HG13 VAL A 11 4.536 2.828 3.890 1.00 74.04 H new ATOM 0 HG21 VAL A 11 3.754 5.558 5.097 1.00 12.24 H new ATOM 0 HG22 VAL A 11 3.112 4.945 3.555 1.00 12.24 H new ATOM 0 HG23 VAL A 11 1.996 5.430 4.853 1.00 12.24 H new ATOM 187 N GLY A 12 1.793 3.476 2.248 1.00 71.32 N ATOM 188 CA GLY A 12 2.042 3.387 0.821 1.00 51.41 C ATOM 189 C GLY A 12 1.520 4.594 0.066 1.00 64.45 C ATOM 190 O GLY A 12 2.047 5.697 0.205 1.00 3.45 O ATOM 0 H GLY A 12 1.306 4.321 2.546 1.00 71.32 H new ATOM 0 HA2 GLY A 12 3.114 3.289 0.647 1.00 51.41 H new ATOM 0 HA3 GLY A 12 1.572 2.485 0.429 1.00 51.41 H new ATOM 194 N ARG A 13 0.483 4.383 -0.739 1.00 4.44 N ATOM 195 CA ARG A 13 -0.108 5.462 -1.521 1.00 45.13 C ATOM 196 C ARG A 13 0.952 6.167 -2.363 1.00 64.31 C ATOM 197 O ARG A 13 1.268 7.334 -2.131 1.00 62.25 O ATOM 198 CB ARG A 13 -0.796 6.471 -0.600 1.00 74.15 C ATOM 199 CG ARG A 13 -1.624 5.826 0.499 1.00 71.30 C ATOM 200 CD ARG A 13 -2.820 5.078 -0.070 1.00 22.00 C ATOM 201 NE ARG A 13 -3.957 5.085 0.847 1.00 44.01 N ATOM 202 CZ ARG A 13 -3.971 4.434 2.005 1.00 70.14 C ATOM 203 NH1 ARG A 13 -2.915 3.728 2.385 1.00 33.21 N ATOM 204 NH2 ARG A 13 -5.043 4.489 2.785 1.00 70.34 N ATOM 0 H ARG A 13 0.035 3.475 -0.866 1.00 4.44 H new ATOM 0 HA ARG A 13 -0.850 5.027 -2.191 1.00 45.13 H new ATOM 0 HB2 ARG A 13 -0.039 7.110 -0.145 1.00 74.15 H new ATOM 0 HB3 ARG A 13 -1.440 7.116 -1.198 1.00 74.15 H new ATOM 0 HG2 ARG A 13 -1.000 5.137 1.069 1.00 71.30 H new ATOM 0 HG3 ARG A 13 -1.969 6.592 1.193 1.00 71.30 H new ATOM 0 HD2 ARG A 13 -3.115 5.532 -1.016 1.00 22.00 H new ATOM 0 HD3 ARG A 13 -2.535 4.048 -0.286 1.00 22.00 H new ATOM 0 HE ARG A 13 -4.785 5.619 0.584 1.00 44.01 H new ATOM 0 HH11 ARG A 13 -2.089 3.684 1.788 1.00 33.21 H new ATOM 0 HH12 ARG A 13 -2.928 3.229 3.275 1.00 33.21 H new ATOM 0 HH21 ARG A 13 -5.857 5.031 2.496 1.00 70.34 H new ATOM 0 HH22 ARG A 13 -5.053 3.989 3.674 1.00 70.34 H new ATOM 218 N ARG A 14 1.498 5.449 -3.340 1.00 1.42 N ATOM 219 CA ARG A 14 2.523 6.005 -4.215 1.00 5.04 C ATOM 220 C ARG A 14 2.348 5.504 -5.645 1.00 73.30 C ATOM 221 O ARG A 14 3.254 5.618 -6.469 1.00 21.01 O ATOM 222 CB ARG A 14 3.917 5.636 -3.701 1.00 54.41 C ATOM 223 CG ARG A 14 4.122 4.142 -3.516 1.00 34.30 C ATOM 224 CD ARG A 14 4.705 3.500 -4.765 1.00 54.45 C ATOM 225 NE ARG A 14 5.993 4.083 -5.129 1.00 44.13 N ATOM 226 CZ ARG A 14 7.121 3.844 -4.469 1.00 12.04 C ATOM 227 NH1 ARG A 14 7.118 3.038 -3.416 1.00 61.32 N ATOM 228 NH2 ARG A 14 8.254 4.412 -4.861 1.00 22.41 N ATOM 0 H ARG A 14 1.248 4.482 -3.545 1.00 1.42 H new ATOM 0 HA ARG A 14 2.417 7.090 -4.213 1.00 5.04 H new ATOM 0 HB2 ARG A 14 4.664 6.013 -4.400 1.00 54.41 H new ATOM 0 HB3 ARG A 14 4.089 6.138 -2.749 1.00 54.41 H new ATOM 0 HG2 ARG A 14 4.788 3.967 -2.671 1.00 34.30 H new ATOM 0 HG3 ARG A 14 3.170 3.670 -3.274 1.00 34.30 H new ATOM 0 HD2 ARG A 14 4.825 2.429 -4.600 1.00 54.45 H new ATOM 0 HD3 ARG A 14 4.006 3.618 -5.593 1.00 54.45 H new ATOM 0 HE ARG A 14 6.029 4.708 -5.934 1.00 44.13 H new ATOM 0 HH11 ARG A 14 6.249 2.600 -3.111 1.00 61.32 H new ATOM 0 HH12 ARG A 14 7.985 2.856 -2.911 1.00 61.32 H new ATOM 0 HH21 ARG A 14 8.260 5.033 -5.670 1.00 22.41 H new ATOM 0 HH22 ARG A 14 9.119 4.228 -4.353 1.00 22.41 H new ATOM 242 N ASN A 15 1.175 4.948 -5.932 1.00 21.31 N ATOM 243 CA ASN A 15 0.881 4.428 -7.262 1.00 72.33 C ATOM 244 C ASN A 15 -0.572 3.971 -7.359 1.00 2.31 C ATOM 245 O ASN A 15 -1.164 3.188 -6.655 1.00 53.14 O ATOM 246 CB ASN A 15 1.816 3.264 -7.596 1.00 62.21 C ATOM 247 CG ASN A 15 2.976 3.688 -8.475 1.00 44.55 C ATOM 248 OD1 ASN A 15 4.138 3.438 -8.153 1.00 50.23 O ATOM 249 ND2 ASN A 15 2.666 4.335 -9.593 1.00 71.01 N ATOM 0 H ASN A 15 0.413 4.846 -5.261 1.00 21.31 H new ATOM 0 HA ASN A 15 1.040 5.231 -7.982 1.00 72.33 H new ATOM 0 HB2 ASN A 15 2.202 2.835 -6.671 1.00 62.21 H new ATOM 0 HB3 ASN A 15 1.250 2.480 -8.099 1.00 62.21 H new ATOM 0 HD21 ASN A 15 3.405 4.646 -10.224 1.00 71.01 H new ATOM 0 HD22 ASN A 15 1.689 4.521 -9.821 1.00 71.01 H new