REMARK FILENAME="gal-1-282_accept_accepted_min_ave.pdb" REMARK The macromolecule has 12 residues REMARK Accepted structures 21 of 100 structures REMARK 110 NOEs in 2 class(es) REMARK averaging function(s): sum, hbnd: sum REMARK 0 3-bond j-couplings in 0 class(es) with REMARK scale factor(s) of NA REMARK 0 1-bond j-couplings in 0 class(es) with REMARK scale factor(s) of NA REMARK 0 carbon chemical shifts in 0 class(es) with REMARK scale factor(s) of NA REMARK 0 proton chemical shifts in 0 class(es) with REMARK scale factor(s) of NA REMARK 0 diffusion anisotropy restraints in 0 class(es) with REMARK scale factor(s) of NA REMARK 0 susceptability anisotropy restraints in 0 class(es) with REMARK scale factor(s) of NA REMARK 0 dihedral restraints REMARK 0 planarity restraints with a scale factor of NA REMARK NCS restraints not used. REMARK =============================================================== REMARK viol +/- sd rmsd +/- sd REMARK Bond : 0.00 +/- 0.000 0.0066 +/- 0.00007 REMARK Angl : 0.00 +/- 0.000 0.4812 +/- 0.0087 REMARK Impr : 0.00 +/- 0.000 0.6375 +/- 0.0038 REMARK VDW : 0.00 +/- 0.000 REMARK Dihed : 57.52 +/- 2.015 37.256 +/- 0.1902 REMARK =============================================================== REMARK viol +/- sd rmsd +/- sd REMARK NOE : 0.00 +/- 0.000 0.0138 +/- 0.0011 REMARK cdih : 0.00 +/- 0.000 0.0000 +/- 0.0000 REMARK J-coup : 0.00 +/- 0.000 0.0000 +/- 0.0000 REMARK Oneb : 0.00 +/- 0.000 0.0000 +/- 0.0000 REMARK =============================================================== REMARK viol +/- sd rmsd A +/- sd rmsd B +/- sd REMARK Carb : 0.00 +/- 0.000 0.000 +/- 0.000 0.000 +/- 0.000 REMARK =============================================================== REMARK Protons viol +/- sd rmsd +/- sd REMARK all : 0.00 +/- 0.000 0.0000 +/- 0.0000 REMARK class 1: 0.00 +/- 0.000 0.0000 +/- 0.0000 REMARK class 2: 0.00 +/- 0.000 0.0000 +/- 0.0000 REMARK class 3: 0.00 +/- 0.000 0.0000 +/- 0.0000 REMARK class 4: 0.00 +/- 0.000 0.0000 +/- 0.0000 REMARK =============================================================== REMARK viol +/- sd rmsd +/- sd REMARK dani : 0.00 +/- 0.000 0.0000 +/- 0.0000 REMARK sani : 0.00 +/- 0.000 0.0000 +/- 0.0000 REMARK =============================================================== REMARK overall = 156.32 +/- 2.15 REMARK bond = 10.06 +/- 0.22 REMARK angle = 14.99 +/- 0.54 REMARK improp = 8.54 +/- 0.10 REMARK vdw = 87.85 +/- 1.40 REMARK harm = 0.00 +/- 0.00 REMARK noe = 1.58 +/- 0.26 REMARK coup = 0.00 +/- 0.00 REMARK oneb = 0.00 +/- 0.00 REMARK carb = 0.00 +/- 0.00 REMARK prot = 0.00 +/- 0.00 REMARK dani = 0.00 +/- 0.00 REMARK sani = 0.00 +/- 0.00 REMARK cdih = 0.00 +/- 0.00 REMARK ncs = 0.00 +/- 0.00 REMARK =============================================================== REMARK rms around the mean for selection = 9.837 +/- 0.0230 REMARK rms around the mean for non-h atoms = 11.947 +/- 0.1215 REMARK =============================================================== REMARK pairwise rms REMARK atom selection: 0.243 +/- 0.0799 min: 0.064 max: 0.488 REMARK non-hydrogen : 1.451 +/- 0.4011 min: 0.639 max: 2.415 REMARK =============================================================== REMARK DATE:09-Dec-2010 20:32:54 created by user: george REMARK VERSION:1.3 ATOM 1 HA ARG 1 23.388 2.468 9.099 1.00 0.40 H ATOM 2 CB ARG 1 22.605 0.475 9.196 1.00 0.63 C ATOM 3 HB1 ARG 1 22.849 0.142 8.198 1.00 0.80 H ATOM 4 HB2 ARG 1 21.677 0.015 9.501 1.00 0.88 H ATOM 5 CG ARG 1 23.702 0.000 10.137 1.00 0.86 C ATOM 6 HG1 ARG 1 23.462 0.316 11.142 1.00 1.22 H ATOM 7 HG2 ARG 1 24.640 0.442 9.834 1.00 1.10 H ATOM 8 CD ARG 1 23.840 -1.513 10.114 1.00 1.22 C ATOM 9 HD1 ARG 1 24.076 -1.825 9.107 1.00 1.64 H ATOM 10 HD2 ARG 1 22.901 -1.952 10.415 1.00 1.83 H ATOM 11 NE ARG 1 24.896 -1.983 11.017 1.00 1.61 N ATOM 12 HE ARG 1 25.385 -1.302 11.524 1.00 1.97 H ATOM 13 CZ ARG 1 25.234 -3.269 11.194 1.00 2.10 C ATOM 14 NH1 ARG 1 24.608 -4.243 10.535 1.00 2.34 N ATOM 15 HH11 ARG 1 23.872 -4.021 9.895 1.00 2.42 H ATOM 16 HH12 ARG 1 24.874 -5.196 10.680 1.00 2.78 H ATOM 17 NH2 ARG 1 26.207 -3.580 12.039 1.00 2.82 N ATOM 18 HH21 ARG 1 26.464 -4.537 12.176 1.00 3.17 H ATOM 19 HH22 ARG 1 26.685 -2.858 12.539 1.00 3.22 H ATOM 20 C ARG 1 21.585 2.397 7.963 1.00 0.34 C ATOM 21 O ARG 1 20.366 2.206 7.951 1.00 0.48 O ATOM 22 N ARG 1 21.777 2.457 10.436 1.00 0.50 N ATOM 23 HT1 ARG 1 21.681 3.493 10.430 1.00 1.07 H ATOM 24 HT2 ARG 1 22.354 2.179 11.254 1.00 1.15 H ATOM 25 HT3 ARG 1 20.832 2.033 10.532 1.00 0.94 H ATOM 26 CA ARG 1 22.419 1.996 9.176 1.00 0.40 C ATOM 27 N TRP 2 22.258 2.951 6.950 1.00 0.26 N ATOM 28 HN TRP 2 23.227 3.070 7.034 1.00 0.35 H ATOM 29 CA TRP 2 21.596 3.388 5.718 1.00 0.25 C ATOM 30 HA TRP 2 20.582 3.013 5.732 1.00 0.27 H ATOM 31 CB TRP 2 21.564 4.918 5.632 1.00 0.36 C ATOM 32 HB1 TRP 2 21.191 5.207 4.660 1.00 0.69 H ATOM 33 HB2 TRP 2 22.566 5.299 5.754 1.00 0.49 H ATOM 34 CG TRP 2 20.694 5.563 6.674 1.00 0.63 C ATOM 35 CD1 TRP 2 19.344 5.755 6.604 1.00 0.60 C ATOM 36 HD1 TRP 2 18.730 5.456 5.768 1.00 0.52 H ATOM 37 CD2 TRP 2 21.111 6.103 7.939 1.00 1.30 C ATOM 38 NE1 TRP 2 18.895 6.378 7.743 1.00 1.13 N ATOM 39 HE1 TRP 2 17.964 6.622 7.929 1.00 1.21 H ATOM 40 CE2 TRP 2 19.959 6.602 8.577 1.00 1.60 C ATOM 41 CE3 TRP 2 22.344 6.214 8.595 1.00 1.72 C ATOM 42 HE3 TRP 2 23.253 5.845 8.142 1.00 1.53 H ATOM 43 CZ2 TRP 2 20.003 7.200 9.835 1.00 2.30 C ATOM 44 HZ2 TRP 2 19.115 7.579 10.318 1.00 2.53 H ATOM 45 CZ3 TRP 2 22.384 6.807 9.843 1.00 2.42 C ATOM 46 HZ3 TRP 2 23.326 6.900 10.363 1.00 2.77 H ATOM 47 CH2 TRP 2 21.221 7.293 10.451 1.00 2.70 C ATOM 48 HH2 TRP 2 21.300 7.750 11.426 1.00 3.25 H ATOM 49 C TRP 2 22.293 2.814 4.497 1.00 0.19 C ATOM 50 O TRP 2 23.510 2.604 4.500 1.00 0.21 O ATOM 51 N BVA 3 21.499 2.566 3.457 1.00 0.17 N ATOM 52 HN BVA 3 20.543 2.771 3.535 1.00 0.20 H ATOM 53 CA BVA 3 21.496 0.534 1.989 1.00 0.12 C ATOM 54 HA BVA 3 20.417 0.533 1.858 1.00 0.15 H ATOM 55 CB BVA 3 21.997 2.001 2.205 1.00 0.13 C ATOM 56 HB BVA 3 23.080 1.962 2.284 1.00 0.12 H ATOM 57 CG BVA 3 21.601 2.907 0.984 1.00 0.15 C ATOM 58 HG BVA 3 21.753 2.332 0.082 1.00 0.15 H ATOM 59 CD1 BVA 3 20.131 3.337 1.017 1.00 0.21 C ATOM 60 HD11 BVA 3 19.930 3.998 0.187 1.00 1.01 H ATOM 61 HD12 BVA 3 19.927 3.851 1.945 1.00 1.01 H ATOM 62 HD13 BVA 3 19.499 2.464 0.944 1.00 1.05 H ATOM 63 CD2 BVA 3 22.510 4.127 0.913 1.00 0.18 C ATOM 64 HD21 BVA 3 23.535 3.806 0.796 1.00 1.02 H ATOM 65 HD22 BVA 3 22.414 4.701 1.823 1.00 1.01 H ATOM 66 HD23 BVA 3 22.226 4.739 0.070 1.00 1.04 H ATOM 67 CE BVA 3 21.806 -0.324 3.208 1.00 0.12 C ATOM 68 HE1 BVA 3 21.404 -1.316 3.062 1.00 1.00 H ATOM 69 HE2 BVA 3 21.358 0.121 4.085 1.00 1.01 H ATOM 70 HE3 BVA 3 22.875 -0.385 3.342 1.00 1.00 H ATOM 71 C BVA 3 22.152 -0.058 0.739 1.00 0.10 C ATOM 72 O BVA 3 23.384 -0.124 0.644 1.00 0.11 O ATOM 73 N TYR 4 21.318 -0.485 -0.214 1.00 0.15 N ATOM 74 HN TYR 4 20.352 -0.404 -0.069 1.00 0.18 H ATOM 75 CA TYR 4 21.801 -1.069 -1.465 1.00 0.18 C ATOM 76 HA TYR 4 22.823 -1.380 -1.308 1.00 0.16 H ATOM 77 CB TYR 4 20.964 -2.296 -1.842 1.00 0.28 C ATOM 78 HB1 TYR 4 21.153 -2.547 -2.876 1.00 0.32 H ATOM 79 HB2 TYR 4 19.917 -2.059 -1.721 1.00 0.32 H ATOM 80 CG TYR 4 21.263 -3.518 -1.004 1.00 0.32 C ATOM 81 CD1 TYR 4 22.236 -4.429 -1.396 1.00 1.21 C ATOM 82 HD1 TYR 4 22.780 -4.254 -2.313 1.00 2.13 H ATOM 83 CD2 TYR 4 20.575 -3.761 0.178 1.00 1.27 C ATOM 84 HD2 TYR 4 19.815 -3.062 0.497 1.00 2.17 H ATOM 85 CE1 TYR 4 22.513 -5.548 -0.635 1.00 1.22 C ATOM 86 HE1 TYR 4 23.273 -6.245 -0.958 1.00 2.12 H ATOM 87 CE2 TYR 4 20.847 -4.878 0.945 1.00 1.32 C ATOM 88 HE2 TYR 4 20.301 -5.050 1.861 1.00 2.24 H ATOM 89 CZ TYR 4 21.817 -5.768 0.534 1.00 0.47 C ATOM 90 OH TYR 4 22.091 -6.881 1.295 1.00 0.56 O ATOM 91 HH TYR 4 21.268 -7.291 1.571 1.00 1.09 H ATOM 92 C TYR 4 21.774 -0.039 -2.593 1.00 0.21 C ATOM 93 O TYR 4 20.704 0.439 -2.988 1.00 0.29 O ATOM 94 N VAL 5 22.965 0.303 -3.095 1.00 0.20 N ATOM 95 HN VAL 5 23.773 -0.108 -2.721 1.00 0.18 H ATOM 96 CA VAL 5 23.103 1.277 -4.185 1.00 0.28 C ATOM 97 HA VAL 5 22.111 1.499 -4.550 1.00 0.35 H ATOM 98 CB VAL 5 23.765 2.611 -3.709 1.00 0.38 C ATOM 99 HB VAL 5 24.826 2.438 -3.602 1.00 0.38 H ATOM 100 CG1 VAL 5 23.571 3.725 -4.736 1.00 0.50 C ATOM 101 HG11 VAL 5 24.019 3.432 -5.674 1.00 1.15 H ATOM 102 HG12 VAL 5 24.042 4.629 -4.379 1.00 1.18 H ATOM 103 HG13 VAL 5 22.515 3.902 -4.881 1.00 1.05 H ATOM 104 CG2 VAL 5 23.219 3.058 -2.355 1.00 0.41 C ATOM 105 HG21 VAL 5 23.699 3.980 -2.060 1.00 1.09 H ATOM 106 HG22 VAL 5 23.420 2.296 -1.616 1.00 1.03 H ATOM 107 HG23 VAL 5 22.153 3.215 -2.430 1.00 0.97 H ATOM 108 C VAL 5 23.935 0.667 -5.332 1.00 0.24 C ATOM 109 O VAL 5 25.019 0.136 -5.077 1.00 0.30 O ATOM 110 N PRO 6 23.446 0.729 -6.616 1.00 0.24 N ATOM 111 CA PRO 6 24.173 0.162 -7.783 1.00 0.25 C ATOM 112 HA PRO 6 25.132 0.638 -7.914 1.00 0.28 H ATOM 113 CB PRO 6 23.280 0.511 -8.980 1.00 0.34 C ATOM 114 HB1 PRO 6 22.690 -0.346 -9.261 1.00 0.40 H ATOM 115 HB2 PRO 6 23.891 0.834 -9.814 1.00 0.60 H ATOM 116 CG PRO 6 22.394 1.610 -8.510 1.00 0.66 C ATOM 117 HG1 PRO 6 21.451 1.575 -9.033 1.00 1.05 H ATOM 118 HG2 PRO 6 22.879 2.565 -8.669 1.00 1.07 H ATOM 119 CD PRO 6 22.177 1.368 -7.045 1.00 0.35 C ATOM 120 HD1 PRO 6 21.339 0.704 -6.889 1.00 0.50 H ATOM 121 HD2 PRO 6 22.020 2.305 -6.532 1.00 0.32 H ATOM 122 C PRO 6 24.375 -1.361 -7.706 1.00 0.22 C ATOM 123 O PRO 6 25.197 -1.916 -8.440 1.00 0.23 O ATOM 124 N GLY 7 23.619 -2.020 -6.815 1.00 0.21 N ATOM 125 HN GLY 7 22.985 -1.514 -6.265 1.00 0.24 H ATOM 126 CA GLY 7 23.720 -3.468 -6.646 1.00 0.21 C ATOM 127 HA1 GLY 7 23.938 -3.914 -7.605 1.00 0.21 H ATOM 128 HA2 GLY 7 22.769 -3.843 -6.298 1.00 0.24 H ATOM 129 C GLY 7 24.800 -3.882 -5.655 1.00 0.19 C ATOM 130 O GLY 7 25.372 -4.969 -5.780 1.00 0.22 O ATOM 131 N LYS 8 25.072 -3.013 -4.673 1.00 0.18 N ATOM 132 HN LYS 8 24.574 -2.170 -4.637 1.00 0.18 H ATOM 133 CA LYS 8 26.089 -3.277 -3.650 1.00 0.21 C ATOM 134 HA LYS 8 26.332 -4.328 -3.690 1.00 0.25 H ATOM 135 CB LYS 8 27.359 -2.461 -3.927 1.00 0.23 C ATOM 136 HB1 LYS 8 27.986 -2.485 -3.048 1.00 0.53 H ATOM 137 HB2 LYS 8 27.077 -1.438 -4.129 1.00 0.49 H ATOM 138 CG LYS 8 28.173 -2.971 -5.108 1.00 0.67 C ATOM 139 HG1 LYS 8 27.560 -2.938 -5.996 1.00 0.99 H ATOM 140 HG2 LYS 8 28.474 -3.989 -4.912 1.00 1.06 H ATOM 141 CD LYS 8 29.416 -2.125 -5.334 1.00 0.76 C ATOM 142 HD1 LYS 8 30.028 -2.156 -4.444 1.00 0.92 H ATOM 143 HD2 LYS 8 29.116 -1.107 -5.530 1.00 0.80 H ATOM 144 CE LYS 8 30.230 -2.635 -6.512 1.00 1.29 C ATOM 145 HE1 LYS 8 29.614 -2.605 -7.398 1.00 1.75 H ATOM 146 HE2 LYS 8 30.526 -3.654 -6.314 1.00 1.59 H ATOM 147 NZ LYS 8 31.450 -1.813 -6.741 1.00 1.79 N ATOM 148 HZ1 LYS 8 31.185 -0.826 -6.939 1.00 2.14 H ATOM 149 HZ2 LYS 8 31.985 -2.185 -7.551 1.00 2.29 H ATOM 150 HZ3 LYS 8 32.060 -1.834 -5.898 1.00 2.13 H ATOM 151 C LYS 8 25.558 -2.951 -2.256 1.00 0.21 C ATOM 152 O LYS 8 24.663 -2.113 -2.104 1.00 0.20 O ATOM 153 N PHE 9 26.121 -3.621 -1.244 1.00 0.26 N ATOM 154 HN PHE 9 26.828 -4.270 -1.443 1.00 0.29 H ATOM 155 CA PHE 9 25.718 -3.419 0.151 1.00 0.27 C ATOM 156 HA PHE 9 24.728 -2.988 0.139 1.00 0.28 H ATOM 157 CB PHE 9 25.660 -4.762 0.907 1.00 0.39 C ATOM 158 HB1 PHE 9 24.817 -5.330 0.541 1.00 1.10 H ATOM 159 HB2 PHE 9 25.517 -4.564 1.958 1.00 1.13 H ATOM 160 CG PHE 9 26.892 -5.626 0.771 1.00 1.20 C ATOM 161 CD1 PHE 9 27.912 -5.554 1.706 1.00 2.01 C ATOM 162 HD1 PHE 9 27.820 -4.873 2.539 1.00 2.29 H ATOM 163 CD2 PHE 9 27.024 -6.506 -0.292 1.00 2.13 C ATOM 164 HD2 PHE 9 26.236 -6.570 -1.028 1.00 2.40 H ATOM 165 CE1 PHE 9 29.040 -6.343 1.584 1.00 3.01 C ATOM 166 HE1 PHE 9 29.828 -6.277 2.320 1.00 3.73 H ATOM 167 CE2 PHE 9 28.150 -7.297 -0.420 1.00 3.17 C ATOM 168 HE2 PHE 9 28.241 -7.978 -1.253 1.00 3.99 H ATOM 169 CZ PHE 9 29.159 -7.215 0.520 1.00 3.46 C ATOM 170 HZ PHE 9 30.040 -7.833 0.422 1.00 4.35 H ATOM 171 C PHE 9 26.657 -2.442 0.863 1.00 0.20 C ATOM 172 O PHE 9 27.877 -2.625 0.856 1.00 0.23 O ATOM 173 N BVA 10 26.066 -1.407 1.472 1.00 0.16 N ATOM 174 HN BVA 10 25.090 -1.327 1.425 1.00 0.18 H ATOM 175 CA BVA 10 26.220 1.054 2.019 1.00 0.10 C ATOM 176 HA BVA 10 25.232 1.097 2.470 1.00 0.15 H ATOM 177 CB BVA 10 26.826 -0.381 2.204 1.00 0.10 C ATOM 178 HB BVA 10 27.824 -0.363 1.773 1.00 0.13 H ATOM 179 CG BVA 10 26.934 -0.737 3.732 1.00 0.11 C ATOM 180 HG BVA 10 27.268 0.148 4.253 1.00 0.10 H ATOM 181 CD1 BVA 10 25.590 -1.151 4.339 1.00 0.14 C ATOM 182 HD11 BVA 10 25.141 -1.921 3.729 1.00 1.04 H ATOM 183 HD12 BVA 10 24.935 -0.294 4.378 1.00 1.00 H ATOM 184 HD13 BVA 10 25.748 -1.529 5.338 1.00 1.04 H ATOM 185 CD2 BVA 10 27.976 -1.825 3.954 1.00 0.20 C ATOM 186 HD21 BVA 10 27.692 -2.712 3.407 1.00 1.04 H ATOM 187 HD22 BVA 10 28.038 -2.056 5.007 1.00 0.98 H ATOM 188 HD23 BVA 10 28.938 -1.479 3.604 1.00 1.04 H ATOM 189 CE BVA 10 26.065 1.382 0.541 1.00 0.14 C ATOM 190 HE1 BVA 10 25.406 0.662 0.079 1.00 1.08 H ATOM 191 HE2 BVA 10 27.032 1.346 0.061 1.00 1.03 H ATOM 192 HE3 BVA 10 25.648 2.373 0.434 1.00 0.98 H ATOM 193 C BVA 10 27.111 2.092 2.707 1.00 0.13 C ATOM 194 O BVA 10 28.310 2.190 2.420 1.00 0.17 O ATOM 195 N VAL 11 26.503 2.862 3.616 1.00 0.18 N ATOM 196 HN VAL 11 25.548 2.725 3.788 1.00 0.21 H ATOM 197 CA VAL 11 27.214 3.903 4.366 1.00 0.26 C ATOM 198 HA VAL 11 28.269 3.807 4.148 1.00 0.29 H ATOM 199 CB VAL 11 26.756 5.342 3.966 1.00 0.40 C ATOM 200 HB VAL 11 25.809 5.538 4.448 1.00 0.91 H ATOM 201 CG1 VAL 11 27.754 6.396 4.444 1.00 1.08 C ATOM 202 HG11 VAL 11 27.410 7.377 4.152 1.00 1.77 H ATOM 203 HG12 VAL 11 28.720 6.206 3.998 1.00 1.64 H ATOM 204 HG13 VAL 11 27.840 6.349 5.520 1.00 1.49 H ATOM 205 CG2 VAL 11 26.555 5.470 2.457 1.00 0.86 C ATOM 206 HG21 VAL 11 25.799 4.770 2.134 1.00 1.42 H ATOM 207 HG22 VAL 11 27.485 5.255 1.951 1.00 1.52 H ATOM 208 HG23 VAL 11 26.240 6.475 2.220 1.00 1.39 H ATOM 209 C VAL 11 27.001 3.698 5.869 1.00 0.25 C ATOM 210 O VAL 11 25.864 3.545 6.326 1.00 0.31 O ATOM 211 N GLN 12 28.107 3.696 6.620 1.00 0.26 N ATOM 212 HN GLN 12 28.975 3.823 6.185 1.00 0.30 H ATOM 213 CA GLN 12 28.064 3.512 8.072 1.00 0.30 C ATOM 214 HA GLN 12 27.072 3.175 8.331 1.00 0.41 H ATOM 215 CB GLN 12 29.080 2.448 8.512 1.00 0.45 C ATOM 216 HB1 GLN 12 29.199 2.505 9.584 1.00 0.69 H ATOM 217 HB2 GLN 12 30.029 2.659 8.042 1.00 0.66 H ATOM 218 CG GLN 12 28.675 1.022 8.152 1.00 0.89 C ATOM 219 HG1 GLN 12 28.560 0.958 7.079 1.00 1.16 H ATOM 220 HG2 GLN 12 27.730 0.802 8.625 1.00 1.24 H ATOM 221 CD GLN 12 29.689 -0.024 8.594 1.00 1.11 C ATOM 222 OE1 GLN 12 30.354 0.118 9.624 1.00 1.70 O ATOM 223 NE2 GLN 12 29.813 -1.089 7.809 1.00 1.63 N ATOM 224 HE21 GLN 12 29.255 -1.138 7.005 1.00 2.18 H ATOM 225 HE22 GLN 12 30.457 -1.781 8.066 1.00 1.82 H ATOM 226 C GLN 12 28.333 4.831 8.795 1.00 0.39 C ATOM 227 O GLN 12 29.418 5.408 8.685 1.00 1.15 O ATOM 228 NT GLN 12 27.336 5.314 9.527 1.00 1.17 N ATOM 229 H1 GLN 12 26.502 4.801 9.569 1.00 1.88 H ATOM 230 H2 GLN 12 27.475 6.164 9.995 1.00 1.24 H END