HEADER CHROMOSOMAL PROTEIN 02-JAN-87 1UBQ 1UBQ 3 COMPND UBIQUITIN 1UBQ 4 SOURCE HUMAN (HOMO $SAPIENS) ERYTHROCYTES 1UBQ 5 AUTHOR S.VIJAY-*KUMAR,C.E.BUGG,W.J.COOK 1UBQ 6 REVDAT 2 16-JUL-87 1UBQA 1 JRNL REMARK 1UBQA 1 REVDAT 1 16-APR-87 1UBQ 0 1UBQ 7 JRNL AUTH S.VIJAY-*KUMAR,C.E.BUGG,W.J.COOK 1UBQ 8 JRNL TITL STRUCTURE OF UBIQUITIN REFINED AT 1.8 ANGSTROMS 1UBQ 9 JRNL TITL 2 RESOLUTION 1UBQ 10 JRNL REF J.MOL.BIOL. V. 194 531 1987 1UBQA 2 JRNL REFN ASTM JMOBAK UK ISSN 0022-2836 070 1UBQA 3 REMARK 1 1UBQ 13 REMARK 1 REFERENCE 1 1UBQA 4 REMARK 1 AUTH S.VIJAY-*KUMAR,C.E.BUGG,K.D.WILKINSON,R.D.VIERSTRA, 1UBQA 5 REMARK 1 AUTH 2 P.M.HATFIELD,W.J.COOK 1UBQA 6 REMARK 1 TITL COMPARISON OF THE THREE-DIMENSIONAL STRUCTURES OF 1UBQA 7 REMARK 1 TITL 2 HUMAN, YEAST, AND OAT UBIQUITIN 1UBQA 8 REMARK 1 REF J.BIOL.CHEM. V. 262 6396 1987 1UBQA 9 REMARK 1 REFN ASTM JBCHA3 US ISSN 0021-9258 071 1UBQA 10 REMARK 1 REFERENCE 2 1UBQA 11 REMARK 1 AUTH S.VIJAY-*KUMAR,C.E.BUGG,K.D.WILKINSON,W.J.COOK 1UBQ 15 REMARK 1 TITL THREE-DIMENSIONAL STRUCTURE OF UBIQUITIN AT 2.8 1UBQ 16 REMARK 1 TITL 2 ANGSTROMS RESOLUTION 1UBQ 17 REMARK 1 REF PROC.NAT.ACAD.SCI.USA V. 82 3582 1985 1UBQ 18 REMARK 1 REFN ASTM PNASA6 US ISSN 0027-8424 040 1UBQ 19 REMARK 1 REFERENCE 3 1UBQA 12 REMARK 1 AUTH W.J.COOK,F.L.SUDDATH,C.E.BUGG,G.GOLDSTEIN 1UBQ 21 REMARK 1 TITL CRYSTALLIZATION AND PRELIMINARY X-RAY 1UBQ 22 REMARK 1 TITL 2 INVESTIGATION OF UBIQUITIN, A NON-HISTONE 1UBQ 23 REMARK 1 TITL 3 CHROMOSOMAL PROTEIN 1UBQ 24 REMARK 1 REF J.MOL.BIOL. V. 130 353 1979 1UBQ 25 REMARK 1 REFN ASTM JMOBAK UK ISSN 0022-2836 070 1UBQ 26 REMARK 1 REFERENCE 4 1UBQA 13 REMARK 1 AUTH D.H.SCHLESINGER,G.GOLDSTEIN 1UBQ 28 REMARK 1 TITL MOLECULAR CONSERVATION OF 74 AMINO ACID SEQUENCE 1UBQ 29 REMARK 1 TITL 2 OF UBIQUITIN BETWEEN CATTLE AND MAN 1UBQ 30 REMARK 1 REF NATURE V. 255 423 1975 1UBQ 31 REMARK 1 REFN ASTM NATUAS UK ISSN 0028-0836 006 1UBQ 32 REMARK 2 1UBQ 33 REMARK 2 RESOLUTION. 1.8 ANGSTROMS. 1UBQ 34 REMARK 3 1UBQ 35 REMARK 3 REFINEMENT. BY THE RESTRAINED LEAST-SQUARES PROCEDURE OF 1UBQ 36 REMARK 3 J. KONNERT AND W. HENDRICKSON (PROGRAM *PROLSQ*). THE 1UBQ 37 REMARK 3 R-VALUE IS 0.176. THE RMS DEVIATION FROM IDEALITY OF THE 1UBQ 38 REMARK 3 BOND LENGTHS IS 0.016 ANGSTROMS. THE RMS DEVIATION FROM 1UBQ 39 REMARK 3 IDEALITY OF THE BOND ANGLES IS 1.5 DEGREES. 1UBQ 40 REMARK 4 1UBQA 14 REMARK 4 CORRECTION. UPDATE JRNL REFERENCE TO REFLECT PUBLICATION. 1UBQA 15 REMARK 4 INSERT NEW PUBLICATION AS REFERENCE 1 AND RENUMBER THE 1UBQA 16 REMARK 4 THE OTHERS. 16-JUL-87. 1UBQA 17 SEQRES 1 76 MET GLN ILE PHE VAL LYS THR LEU THR GLY LYS THR ILE 1UBQ 41 SEQRES 2 76 THR LEU GLU VAL GLU PRO SER ASP THR ILE GLU ASN VAL 1UBQ 42 SEQRES 3 76 LYS ALA LYS ILE GLN ASP LYS GLU GLY ILE PRO PRO ASP 1UBQ 43 SEQRES 4 76 GLN GLN ARG LEU ILE PHE ALA GLY LYS GLN LEU GLU ASP 1UBQ 44 SEQRES 5 76 GLY ARG THR LEU SER ASP TYR ASN ILE GLN LYS GLU SER 1UBQ 45 SEQRES 6 76 THR LEU HIS LEU VAL LEU ARG LEU ARG GLY GLY 1UBQ 46 FORMUL 2 HOH *58(H2 O1) 1UBQ 47 HELIX 1 H1 ILE 23 GLU 34 1 1UBQ 48 HELIX 2 H2 LEU 56 TYR 59 5 1UBQ 49 SHEET 1 BET 5 GLY 10 VAL 17 0 1UBQ 50 SHEET 2 BET 5 MET 1 THR 7 -1 1UBQ 51 SHEET 3 BET 5 GLU 64 ARG 72 1 1UBQ 52 SHEET 4 BET 5 GLN 40 PHE 45 -1 1UBQ 53 SHEET 5 BET 5 LYS 48 LEU 50 -1 1UBQ 54 TURN 1 T1 THR 7 GLY 10 TYPE I 1UBQ 55 TURN 2 T2 GLU 18 ASP 21 TYPE I 1UBQ 56 TURN 3 T3 PRO 37 GLN 40 TYPE III 1UBQ 57 TURN 4 T4 PHE 45 LYS 48 TYPE III(PRIME) 1UBQ 58 TURN 5 T5 GLU 51 ARG 54 TYPE I 1UBQ 59 TURN 6 T6 THR 55 ASP 58 TYPE III 1UBQ 60 TURN 7 T7 LEU 56 TYR 59 TYPE III 1UBQ 61 TURN 8 T8 SER 57 ASN 60 TYPE I 1UBQ 62 TURN 9 T9 GLN 62 SER 65 TYPE II 1UBQ 63 CRYST1 50.840 42.770 28.950 90.00 90.00 90.00 P 21 21 21 4 1UBQ 64 ORIGX1 1.000000 0.000000 0.000000 0.00000 1UBQ 65 ORIGX2 0.000000 1.000000 0.000000 0.00000 1UBQ 66 ORIGX3 0.000000 0.000000 1.000000 0.00000 1UBQ 67 SCALE1 .019670 0.000000 0.000000 0.00000 1UBQ 68 SCALE2 0.000000 .023381 0.000000 0.00000 1UBQ 69 SCALE3 0.000000 0.000000 .034542 0.00000 1UBQ 70 ATOM 1 N MET 1 27.340 24.430 2.614 1.00 9.67 1UBQ 71 ATOM 2 CA MET 1 26.266 25.413 2.842 1.00 10.38 1UBQ 72 ATOM 3 C MET 1 26.913 26.639 3.531 1.00 9.62 1UBQ 73 ATOM 4 O MET 1 27.886 26.463 4.263 1.00 9.62 1UBQ 74 ATOM 5 CB MET 1 25.112 24.880 3.649 1.00 13.77 1UBQ 75 ATOM 6 CG MET 1 25.353 24.860 5.134 1.00 16.29 1UBQ 76 ATOM 7 SD MET 1 23.930 23.959 5.904 1.00 17.17 1UBQ 77 ATOM 8 CE MET 1 24.447 23.984 7.620 1.00 16.11 1UBQ 78 ATOM 9 N GLN 2 26.335 27.770 3.258 1.00 9.27 1UBQ 79 ATOM 10 CA GLN 2 26.850 29.021 3.898 1.00 9.07 1UBQ 80 ATOM 11 C GLN 2 26.100 29.253 5.202 1.00 8.72 1UBQ 81 ATOM 12 O GLN 2 24.865 29.024 5.330 1.00 8.22 1UBQ 82 ATOM 13 CB GLN 2 26.733 30.148 2.905 1.00 14.46 1UBQ 83 ATOM 14 CG GLN 2 26.882 31.546 3.409 1.00 17.01 1UBQ 84 ATOM 15 CD GLN 2 26.786 32.562 2.270 1.00 20.10 1UBQ 85 ATOM 16 OE1 GLN 2 27.783 33.160 1.870 1.00 21.89 1UBQ 86 ATOM 17 NE2 GLN 2 25.562 32.733 1.806 1.00 19.49 1UBQ 87 ATOM 18 N ILE 3 26.849 29.656 6.217 1.00 5.87 1UBQ 88 ATOM 19 CA ILE 3 26.235 30.058 7.497 1.00 5.07 1UBQ 89 ATOM 20 C ILE 3 26.882 31.428 7.862 1.00 4.01 1UBQ 90 ATOM 21 O ILE 3 27.906 31.711 7.264 1.00 4.61 1UBQ 91 ATOM 22 CB ILE 3 26.344 29.050 8.645 1.00 6.55 1UBQ 92 ATOM 23 CG1 ILE 3 27.810 28.748 8.999 1.00 4.72 1UBQ 93 ATOM 24 CG2 ILE 3 25.491 27.771 8.287 1.00 5.58 1UBQ 94 ATOM 25 CD1 ILE 3 27.967 28.087 10.417 1.00 10.83 1UBQ 95 ATOM 26 N PHE 4 26.214 32.097 8.771 1.00 4.55 1UBQ 96 ATOM 27 CA PHE 4 26.772 33.436 9.197 1.00 4.68 1UBQ 97 ATOM 28 C PHE 4 27.151 33.362 10.650 1.00 5.30 1UBQ 98 ATOM 29 O PHE 4 26.350 32.778 11.395 1.00 5.58 1UBQ 99 ATOM 30 CB PHE 4 25.695 34.498 8.946 1.00 4.83 1UBQ 100 ATOM 31 CG PHE 4 25.288 34.609 7.499 1.00 7.97 1UBQ 101 ATOM 32 CD1 PHE 4 24.147 33.966 7.038 1.00 6.69 1UBQ 102 ATOM 33 CD2 PHE 4 26.136 35.346 6.640 1.00 8.34 1UBQ 103 ATOM 34 CE1 PHE 4 23.812 34.031 5.677 1.00 9.10 1UBQ 104 ATOM 35 CE2 PHE 4 25.810 35.392 5.267 1.00 10.61 1UBQ 105 ATOM 36 CZ PHE 4 24.620 34.778 4.853 1.00 8.90 1UBQ 106 ATOM 37 N VAL 5 28.260 33.943 11.096 1.00 4.44 1UBQ 107 ATOM 38 CA VAL 5 28.605 33.965 12.503 1.00 3.87 1UBQ 108 ATOM 39 C VAL 5 28.638 35.461 12.900 1.00 4.93 1UBQ 109 ATOM 40 O VAL 5 29.522 36.103 12.320 1.00 6.84 1UBQ 110 ATOM 41 CB VAL 5 29.963 33.317 12.814 1.00 2.99 1UBQ 111 ATOM 42 CG1 VAL 5 30.211 33.394 14.304 1.00 5.28 1UBQ 112 ATOM 43 CG2 VAL 5 29.957 31.838 12.352 1.00 9.13 1UBQ 113 ATOM 44 N LYS 6 27.751 35.867 13.740 1.00 6.04 1UBQ 114 ATOM 45 CA LYS 6 27.691 37.315 14.143 1.00 6.12 1UBQ 115 ATOM 46 C LYS 6 28.469 37.475 15.420 1.00 6.57 1UBQ 116 ATOM 47 O LYS 6 28.213 36.753 16.411 1.00 5.76 1UBQ 117 ATOM 48 CB LYS 6 26.219 37.684 14.307 1.00 7.45 1UBQ 118 ATOM 49 CG LYS 6 25.884 39.139 14.615 1.00 11.12 1UBQ 119 ATOM 50 CD LYS 6 24.348 39.296 14.642 1.00 14.54 1UBQ 120 ATOM 51 CE LYS 6 23.865 40.723 14.749 1.00 18.84 1UBQ 121 ATOM 52 NZ LYS 6 22.375 40.720 14.907 1.00 20.55 1UBQ 122 ATOM 53 N THR 7 29.426 38.430 15.446 1.00 7.41 1UBQ 123 ATOM 54 CA THR 7 30.225 38.643 16.662 1.00 7.48 1UBQ 124 ATOM 55 C THR 7 29.664 39.839 17.434 1.00 8.75 1UBQ 125 ATOM 56 O THR 7 28.850 40.565 16.859 1.00 8.58 1UBQ 126 ATOM 57 CB THR 7 31.744 38.879 16.299 1.00 9.61 1UBQ 127 ATOM 58 OG1 THR 7 31.737 40.257 15.824 1.00 11.78 1UBQ 128 ATOM 59 CG2 THR 7 32.260 37.969 15.171 1.00 9.17 1UBQ 129 ATOM 60 N LEU 8 30.132 40.069 18.642 1.00 9.84 1UBQ 130 ATOM 61 CA LEU 8 29.607 41.180 19.467 1.00 14.15 1UBQ 131 ATOM 62 C LEU 8 30.075 42.538 18.984 1.00 17.37 1UBQ 132 ATOM 63 O LEU 8 29.586 43.570 19.483 1.00 17.01 1UBQ 133 ATOM 64 CB LEU 8 29.919 40.890 20.938 1.00 16.63 1UBQ 134 ATOM 65 CG LEU 8 29.183 39.722 21.581 1.00 18.88 1UBQ 135 ATOM 66 CD1 LEU 8 29.308 39.750 23.095 1.00 19.31 1UBQ 136 ATOM 67 CD2 LEU 8 27.700 39.721 21.228 1.00 18.59 1UBQ 137 ATOM 68 N THR 9 30.991 42.571 17.998 1.00 18.33 1UBQ 138 ATOM 69 CA THR 9 31.422 43.940 17.553 1.00 19.24 1UBQ 139 ATOM 70 C THR 9 30.755 44.351 16.277 1.00 19.48 1UBQ 140 ATOM 71 O THR 9 31.207 45.268 15.566 1.00 23.14 1UBQ 141 ATOM 72 CB THR 9 32.979 43.918 17.445 1.00 18.97 1UBQ 142 ATOM 73 OG1 THR 9 33.174 43.067 16.265 1.00 20.24 1UBQ 143 ATOM 74 CG2 THR 9 33.657 43.319 18.672 1.00 19.70 1UBQ 144 ATOM 75 N GLY 10 29.721 43.673 15.885 1.00 19.43 1UBQ 145 ATOM 76 CA GLY 10 28.978 43.960 14.678 1.00 18.74 1UBQ 146 ATOM 77 C GLY 10 29.604 43.507 13.393 1.00 17.62 1UBQ 147 ATOM 78 O GLY 10 29.219 43.981 12.301 1.00 19.74 1UBQ 148 ATOM 79 N LYS 11 30.563 42.623 13.495 1.00 13.56 1UBQ 149 ATOM 80 CA LYS 11 31.191 42.012 12.331 1.00 11.91 1UBQ 150 ATOM 81 C LYS 11 30.459 40.666 12.130 1.00 10.18 1UBQ 151 ATOM 82 O LYS 11 30.253 39.991 13.133 1.00 9.10 1UBQ 152 ATOM 83 CB LYS 11 32.672 41.717 12.505 1.00 13.43 1UBQ 153 ATOM 84 CG LYS 11 33.280 41.086 11.227 1.00 16.69 1UBQ 154 ATOM 85 CD LYS 11 34.762 40.799 11.470 1.00 17.92 1UBQ 155 ATOM 86 CE LYS 11 35.614 40.847 10.240 1.00 20.81 1UBQ 156 ATOM 87 NZ LYS 11 35.100 40.073 9.101 1.00 21.93 1UBQ 157 ATOM 88 N THR 12 30.163 40.338 10.886 1.00 9.63 1UBQ 158 ATOM 89 CA THR 12 29.542 39.020 10.653 1.00 9.85 1UBQ 159 ATOM 90 C THR 12 30.494 38.261 9.729 1.00 11.66 1UBQ 160 ATOM 91 O THR 12 30.849 38.850 8.706 1.00 12.33 1UBQ 161 ATOM 92 CB THR 12 28.113 39.049 10.015 1.00 10.85 1UBQ 162 ATOM 93 OG1 THR 12 27.280 39.722 10.996 1.00 10.91 1UBQ 163 ATOM 94 CG2 THR 12 27.588 37.635 9.715 1.00 9.63 1UBQ 164 ATOM 95 N ILE 13 30.795 37.015 10.095 1.00 10.42 1UBQ 165 ATOM 96 CA ILE 13 31.720 36.289 9.176 1.00 11.84 1UBQ 166 ATOM 97 C ILE 13 30.955 35.211 8.459 1.00 10.55 1UBQ 167 ATOM 98 O ILE 13 30.025 34.618 9.040 1.00 11.92 1UBQ 168 ATOM 99 CB ILE 13 32.995 35.883 9.934 1.00 14.86 1UBQ 169 ATOM 100 CG1 ILE 13 33.306 34.381 9.840 1.00 14.87 1UBQ 170 ATOM 101 CG2 ILE 13 33.109 36.381 11.435 1.00 17.08 1UBQ 171 ATOM 102 CD1 ILE 13 34.535 34.028 10.720 1.00 16.46 1UBQ 172 ATOM 103 N THR 14 31.244 34.986 7.197 1.00 9.39 1UBQ 173 ATOM 104 CA THR 14 30.505 33.884 6.512 1.00 9.63 1UBQ 174 ATOM 105 C THR 14 31.409 32.680 6.446 1.00 11.20 1UBQ 175 ATOM 106 O THR 14 32.619 32.812 6.125 1.00 11.63 1UBQ 176 ATOM 107 CB THR 14 30.091 34.393 5.078 1.00 10.38 1UBQ 177 ATOM 108 OG1 THR 14 31.440 34.513 4.487 1.00 16.30 1UBQ 178 ATOM 109 CG2 THR 14 29.420 35.756 5.119 1.00 11.66 1UBQ 179 ATOM 110 N LEU 15 30.884 31.485 6.666 1.00 8.29 1UBQ 180 ATOM 111 CA LEU 15 31.677 30.275 6.639 1.00 9.03 1UBQ 181 ATOM 112 C LEU 15 31.022 29.288 5.665 1.00 8.59 1UBQ 182 ATOM 113 O LEU 15 29.809 29.395 5.545 1.00 7.79 1UBQ 183 ATOM 114 CB LEU 15 31.562 29.686 8.045 1.00 11.08 1UBQ 184 ATOM 115 CG LEU 15 32.631 29.444 9.060 1.00 15.79 1UBQ 185 ATOM 116 CD1 LEU 15 33.814 30.390 9.030 1.00 15.88 1UBQ 186 ATOM 117 CD2 LEU 15 31.945 29.449 10.436 1.00 15.27 1UBQ 187 ATOM 118 N GLU 16 31.834 28.412 5.125 1.00 11.04 1UBQ 188 ATOM 119 CA GLU 16 31.220 27.341 4.275 1.00 11.50 1UBQ 189 ATOM 120 C GLU 16 31.440 26.079 5.080 1.00 10.13 1UBQ 190 ATOM 121 O GLU 16 32.576 25.802 5.461 1.00 9.83 1UBQ 191 ATOM 122 CB GLU 16 31.827 27.262 2.894 1.00 17.22 1UBQ 192 ATOM 123 CG GLU 16 31.363 28.410 1.962 1.00 23.33 1UBQ 193 ATOM 124 CD GLU 16 31.671 28.291 .498 1.00 26.99 1UBQ 194 ATOM 125 OE1 GLU 16 30.869 28.621 -.366 1.00 28.86 1UBQ 195 ATOM 126 OE2 GLU 16 32.835 27.861 .278 1.00 28.90 1UBQ 196 ATOM 127 N VAL 17 30.310 25.458 5.384 1.00 8.99 1UBQ 197 ATOM 128 CA VAL 17 30.288 24.245 6.193 1.00 8.85 1UBQ 198 ATOM 129 C VAL 17 29.279 23.227 5.641 1.00 8.04 1UBQ 199 ATOM 130 O VAL 17 28.478 23.522 4.725 1.00 8.99 1UBQ 200 ATOM 131 CB VAL 17 29.903 24.590 7.665 1.00 9.78 1UBQ 201 ATOM 132 CG1 VAL 17 30.862 25.496 8.389 1.00 12.05 1UBQ 202 ATOM 133 CG2 VAL 17 28.476 25.135 7.705 1.00 10.54 1UBQ 203 ATOM 134 N GLU 18 29.380 22.057 6.232 1.00 7.29 1UBQ 204 ATOM 135 CA GLU 18 28.468 20.940 5.980 1.00 7.08 1UBQ 205 ATOM 136 C GLU 18 27.819 20.609 7.316 1.00 6.45 1UBQ 206 ATOM 137 O GLU 18 28.449 20.674 8.360 1.00 5.28 1UBQ 207 ATOM 138 CB GLU 18 29.213 19.697 5.506 1.00 10.28 1UBQ 208 ATOM 139 CG GLU 18 29.728 19.755 4.060 1.00 12.65 1UBQ 209 ATOM 140 CD GLU 18 28.754 20.061 2.978 1.00 14.15 1UBQ 210 ATOM 141 OE1 GLU 18 27.546 19.992 2.985 1.00 14.33 1UBQ 211 ATOM 142 OE2 GLU 18 29.336 20.423 1.904 1.00 18.17 1UBQ 212 ATOM 143 N PRO 19 26.559 20.220 7.288 1.00 7.24 1UBQ 213 ATOM 144 CA PRO 19 25.829 19.825 8.494 1.00 7.07 1UBQ 214 ATOM 145 C PRO 19 26.541 18.732 9.251 1.00 6.65 1UBQ 215 ATOM 146 O PRO 19 26.333 18.536 10.457 1.00 6.37 1UBQ 216 ATOM 147 CB PRO 19 24.469 19.332 7.952 1.00 7.61 1UBQ 217 ATOM 148 CG PRO 19 24.299 20.134 6.704 1.00 8.16 1UBQ 218 ATOM 149 CD PRO 19 25.714 20.108 6.073 1.00 7.49 1UBQ 219 ATOM 150 N SER 20 27.361 17.959 8.559 1.00 6.80 1UBQ 220 ATOM 151 CA SER 20 28.054 16.835 9.210 1.00 6.28 1UBQ 221 ATOM 152 C SER 20 29.258 17.318 9.984 1.00 8.45 1UBQ 222 ATOM 153 O SER 20 29.930 16.477 10.606 1.00 7.26 1UBQ 223 ATOM 154 CB SER 20 28.523 15.820 8.182 1.00 8.57 1UBQ 224 ATOM 155 OG SER 20 28.946 16.445 6.967 1.00 11.13 1UBQ 225 ATOM 156 N ASP 21 29.599 18.599 9.828 1.00 7.50 1UBQ 226 ATOM 157 CA ASP 21 30.796 19.083 10.566 1.00 7.70 1UBQ 227 ATOM 158 C ASP 21 30.491 19.162 12.040 1.00 7.08 1UBQ 228 ATOM 159 O ASP 21 29.367 19.523 12.441 1.00 8.11 1UBQ 229 ATOM 160 CB ASP 21 31.155 20.515 10.048 1.00 11.00 1UBQ 230 ATOM 161 CG ASP 21 31.923 20.436 8.755 1.00 15.32 1UBQ 231 ATOM 162 OD1 ASP 21 32.493 19.374 8.456 1.00 18.03 1UBQ 232 ATOM 163 OD2 ASP 21 31.838 21.402 7.968 1.00 14.36 1UBQ 233 ATOM 164 N THR 22 31.510 18.936 12.852 1.00 5.37 1UBQ 234 ATOM 165 CA THR 22 31.398 19.064 14.286 1.00 6.01 1UBQ 235 ATOM 166 C THR 22 31.593 20.553 14.655 1.00 8.01 1UBQ 236 ATOM 167 O THR 22 32.159 21.311 13.861 1.00 8.11 1UBQ 237 ATOM 168 CB THR 22 32.492 18.193 14.995 1.00 8.92 1UBQ 238 ATOM 169 OG1 THR 22 33.778 18.739 14.516 1.00 10.22 1UBQ 239 ATOM 170 CG2 THR 22 32.352 16.700 14.630 1.00 9.65 1UBQ 240 ATOM 171 N ILE 23 31.113 20.863 15.860 1.00 8.32 1UBQ 241 ATOM 172 CA ILE 23 31.288 22.201 16.417 1.00 9.92 1UBQ 242 ATOM 173 C ILE 23 32.776 22.519 16.577 1.00 10.01 1UBQ 243 ATOM 174 O ILE 23 33.233 23.659 16.384 1.00 8.71 1UBQ 244 ATOM 175 CB ILE 23 30.520 22.300 17.764 1.00 10.78 1UBQ 245 ATOM 176 CG1 ILE 23 29.006 22.043 17.442 1.00 11.38 1UBQ 246 ATOM 177 CG2 ILE 23 30.832 23.699 18.358 1.00 10.90 1UBQ 247 ATOM 178 CD1 ILE 23 28.407 22.948 16.366 1.00 12.30 1UBQ 248 ATOM 179 N GLU 24 33.548 21.526 16.950 1.00 9.54 1UBQ 249 ATOM 180 CA GLU 24 35.031 21.722 17.069 1.00 11.81 1UBQ 250 ATOM 181 C GLU 24 35.615 22.190 15.759 1.00 11.14 1UBQ 251 ATOM 182 O GLU 24 36.532 23.046 15.724 1.00 10.62 1UBQ 252 ATOM 183 CB GLU 24 35.667 20.383 17.447 1.00 19.24 1UBQ 253 ATOM 184 CG GLU 24 37.128 20.293 17.872 1.00 27.76 1UBQ 254 ATOM 185 CD GLU 24 37.561 18.851 18.082 1.00 32.92 1UBQ 255 ATOM 186 OE1 GLU 24 37.758 18.024 17.195 1.00 34.80 1UBQ 256 ATOM 187 OE2 GLU 24 37.628 18.599 19.313 1.00 36.51 1UBQ 257 ATOM 188 N ASN 25 35.139 21.624 14.662 1.00 9.43 1UBQ 258 ATOM 189 CA ASN 25 35.590 21.945 13.302 1.00 10.96 1UBQ 259 ATOM 190 C ASN 25 35.238 23.382 12.920 1.00 9.68 1UBQ 260 ATOM 191 O ASN 25 36.066 24.109 12.333 1.00 9.33 1UBQ 261 ATOM 192 CB ASN 25 35.064 20.957 12.255 1.00 16.78 1UBQ 262 ATOM 193 CG ASN 25 35.541 21.418 10.871 1.00 22.31 1UBQ 263 ATOM 194 OD1 ASN 25 36.772 21.623 10.676 1.00 25.66 1UBQ 264 ATOM 195 ND2 ASN 25 34.628 21.595 9.920 1.00 24.70 1UBQ 265 ATOM 196 N VAL 26 34.007 23.745 13.250 1.00 6.52 1UBQ 266 ATOM 197 CA VAL 26 33.533 25.097 12.978 1.00 5.53 1UBQ 267 ATOM 198 C VAL 26 34.441 26.099 13.684 1.00 4.42 1UBQ 268 ATOM 199 O VAL 26 34.883 27.090 13.093 1.00 3.40 1UBQ 269 ATOM 200 CB VAL 26 32.060 25.257 13.364 1.00 3.86 1UBQ 270 ATOM 201 CG1 VAL 26 31.684 26.749 13.342 1.00 7.25 1UBQ 271 ATOM 202 CG2 VAL 26 31.152 24.421 12.477 1.00 8.12 1UBQ 272 ATOM 203 N LYS 27 34.734 25.822 14.949 1.00 2.64 1UBQ 273 ATOM 204 CA LYS 27 35.596 26.715 15.736 1.00 4.14 1UBQ 274 ATOM 205 C LYS 27 36.975 26.826 15.107 1.00 5.58 1UBQ 275 ATOM 206 O LYS 27 37.579 27.926 15.159 1.00 4.11 1UBQ 276 ATOM 207 CB LYS 27 35.715 26.203 17.172 1.00 3.97 1UBQ 277 ATOM 208 CG LYS 27 34.343 26.445 17.898 1.00 7.45 1UBQ 278 ATOM 209 CD LYS 27 34.509 26.077 19.360 1.00 9.02 1UBQ 279 ATOM 210 CE LYS 27 33.206 26.311 20.122 1.00 12.90 1UBQ 280 ATOM 211 NZ LYS 27 33.455 25.910 21.546 1.00 15.47 1UBQ 281 ATOM 212 N ALA 28 37.499 25.743 14.571 1.00 6.61 1UBQ 282 ATOM 213 CA ALA 28 38.794 25.761 13.880 1.00 7.74 1UBQ 283 ATOM 214 C ALA 28 38.728 26.591 12.611 1.00 9.17 1UBQ 284 ATOM 215 O ALA 28 39.704 27.346 12.277 1.00 11.45 1UBQ 285 ATOM 216 CB ALA 28 39.285 24.336 13.566 1.00 7.68 1UBQ 286 ATOM 217 N LYS 29 37.633 26.543 11.867 1.00 8.96 1UBQ 287 ATOM 218 CA LYS 29 37.471 27.391 10.668 1.00 7.90 1UBQ 288 ATOM 219 C LYS 29 37.441 28.882 11.052 1.00 6.92 1UBQ 289 ATOM 220 O LYS 29 38.020 29.772 10.382 1.00 6.87 1UBQ 290 ATOM 221 CB LYS 29 36.193 27.058 9.911 1.00 10.28 1UBQ 291 ATOM 222 CG LYS 29 36.153 25.620 9.409 1.00 14.94 1UBQ 292 ATOM 223 CD LYS 29 34.758 25.280 8.900 1.00 19.69 1UBQ 293 ATOM 224 CE LYS 29 34.793 24.264 7.767 1.00 22.63 1UBQ 294 ATOM 225 NZ LYS 29 34.914 24.944 6.441 1.00 24.98 1UBQ 295 ATOM 226 N ILE 30 36.811 29.170 12.192 1.00 4.57 1UBQ 296 ATOM 227 CA ILE 30 36.731 30.570 12.645 1.00 5.58 1UBQ 297 ATOM 228 C ILE 30 38.148 30.981 13.069 1.00 7.26 1UBQ 298 ATOM 229 O ILE 30 38.544 32.150 12.856 1.00 9.46 1UBQ 299 ATOM 230 CB ILE 30 35.708 30.776 13.806 1.00 5.36 1UBQ 300 ATOM 231 CG1 ILE 30 34.228 30.630 13.319 1.00 2.94 1UBQ 301 ATOM 232 CG2 ILE 30 35.874 32.138 14.512 1.00 2.78 1UBQ 302 ATOM 233 CD1 ILE 30 33.284 30.504 14.552 1.00 2.00 1UBQ 303 ATOM 234 N GLN 31 38.883 30.110 13.713 1.00 7.06 1UBQ 304 ATOM 235 CA GLN 31 40.269 30.508 14.115 1.00 8.67 1UBQ 305 ATOM 236 C GLN 31 41.092 30.808 12.851 1.00 10.90 1UBQ 306 ATOM 237 O GLN 31 41.828 31.808 12.681 1.00 9.63 1UBQ 307 ATOM 238 CB GLN 31 40.996 29.399 14.865 1.00 9.12 1UBQ 308 ATOM 239 CG GLN 31 42.445 29.848 15.182 1.00 10.76 1UBQ 309 ATOM 240 CD GLN 31 43.090 28.828 16.095 1.00 13.78 1UBQ 310 ATOM 241 OE1 GLN 31 42.770 27.655 15.906 1.00 14.48 1UBQ 311 ATOM 242 NE2 GLN 31 43.898 29.252 17.050 1.00 14.76 1UBQ 312 ATOM 243 N ASP 32 41.001 29.878 11.931 1.00 10.93 1UBQ 313 ATOM 244 CA ASP 32 41.718 30.022 10.643 1.00 14.01 1UBQ 314 ATOM 245 C ASP 32 41.399 31.338 9.967 1.00 14.04 1UBQ 315 ATOM 246 O ASP 32 42.260 32.036 9.381 1.00 13.39 1UBQ 316 ATOM 247 CB ASP 32 41.398 28.780 9.810 1.00 18.01 1UBQ 317 ATOM 248 CG ASP 32 42.626 28.557 8.928 1.00 24.33 1UBQ 318 ATOM 249 OD1 ASP 32 43.666 28.262 9.539 1.00 26.29 1UBQ 319 ATOM 250 OD2 ASP 32 42.430 28.812 7.728 1.00 25.17 1UBQ 320 ATOM 251 N LYS 33 40.117 31.750 9.988 1.00 14.22 1UBQ 321 ATOM 252 CA LYS 33 39.808 32.994 9.233 1.00 14.00 1UBQ 322 ATOM 253 C LYS 33 39.837 34.271 9.995 1.00 12.37 1UBQ 323 ATOM 254 O LYS 33 40.164 35.323 9.345 1.00 12.17 1UBQ 324 ATOM 255 CB LYS 33 38.615 32.801 8.320 1.00 18.62 1UBQ 325 ATOM 256 CG LYS 33 37.220 32.822 8.827 1.00 24.00 1UBQ 326 ATOM 257 CD LYS 33 36.351 33.613 7.838 1.00 27.61 1UBQ 327 ATOM 258 CE LYS 33 36.322 32.944 6.477 1.00 27.64 1UBQ 328 ATOM 259 NZ LYS 33 35.768 33.945 5.489 1.00 30.06 1UBQ 329 ATOM 260 N GLU 34 39.655 34.335 11.285 1.00 10.11 1UBQ 330 ATOM 261 CA GLU 34 39.676 35.547 12.072 1.00 10.07 1UBQ 331 ATOM 262 C GLU 34 40.675 35.527 13.200 1.00 9.32 1UBQ 332 ATOM 263 O GLU 34 40.814 36.528 13.911 1.00 11.61 1UBQ 333 ATOM 264 CB GLU 34 38.290 35.814 12.698 1.00 14.77 1UBQ 334 ATOM 265 CG GLU 34 37.156 35.985 11.688 1.00 18.75 1UBQ 335 ATOM 266 CD GLU 34 37.192 37.361 11.033 1.00 22.28 1UBQ 336 ATOM 267 OE1 GLU 34 37.519 38.360 11.645 1.00 21.95 1UBQ 337 ATOM 268 OE2 GLU 34 36.861 37.320 9.822 1.00 25.19 1UBQ 338 ATOM 269 N GLY 35 41.317 34.393 13.432 1.00 7.22 1UBQ 339 ATOM 270 CA GLY 35 42.345 34.269 14.431 1.00 6.29 1UBQ 340 ATOM 271 C GLY 35 41.949 34.076 15.842 1.00 6.93 1UBQ 341 ATOM 272 O GLY 35 42.829 34.000 16.739 1.00 7.41 1UBQ 342 ATOM 273 N ILE 36 40.642 33.916 16.112 1.00 5.86 1UBQ 343 ATOM 274 CA ILE 36 40.226 33.716 17.509 1.00 6.07 1UBQ 344 ATOM 275 C ILE 36 40.449 32.278 17.945 1.00 6.36 1UBQ 345 ATOM 276 O ILE 36 39.936 31.336 17.315 1.00 6.18 1UBQ 346 ATOM 277 CB ILE 36 38.693 34.106 17.595 1.00 7.47 1UBQ 347 ATOM 278 CG1 ILE 36 38.471 35.546 17.045 1.00 8.52 1UBQ 348 ATOM 279 CG2 ILE 36 38.146 33.932 19.027 1.00 7.36 1UBQ 349 ATOM 280 CD1 ILE 36 36.958 35.746 16.680 1.00 9.49 1UBQ 350 ATOM 281 N PRO 37 41.189 32.085 19.031 1.00 8.65 1UBQ 351 ATOM 282 CA PRO 37 41.461 30.751 19.594 1.00 9.18 1UBQ 352 ATOM 283 C PRO 37 40.168 30.026 19.918 1.00 9.85 1UBQ 353 ATOM 284 O PRO 37 39.264 30.662 20.521 1.00 8.51 1UBQ 354 ATOM 285 CB PRO 37 42.195 31.142 20.913 1.00 11.42 1UBQ 355 ATOM 286 CG PRO 37 42.904 32.414 20.553 1.00 9.27 1UBQ 356 ATOM 287 CD PRO 37 41.822 33.188 19.813 1.00 8.33 1UBQ 357 ATOM 288 N PRO 38 40.059 28.758 19.607 1.00 8.71 1UBQ 358 ATOM 289 CA PRO 38 38.817 28.020 19.889 1.00 9.08 1UBQ 359 ATOM 290 C PRO 38 38.421 28.048 21.341 1.00 9.28 1UBQ 360 ATOM 291 O PRO 38 37.213 28.036 21.704 1.00 6.50 1UBQ 361 ATOM 292 CB PRO 38 39.090 26.629 19.325 1.00 10.31 1UBQ 362 ATOM 293 CG PRO 38 40.082 26.904 18.198 1.00 10.81 1UBQ 363 ATOM 294 CD PRO 38 41.035 27.909 18.879 1.00 12.00 1UBQ 364 ATOM 295 N ASP 39 39.374 28.090 22.240 1.00 11.20 1UBQ 365 ATOM 296 CA ASP 39 39.063 28.063 23.695 1.00 14.96 1UBQ 366 ATOM 297 C ASP 39 38.365 29.335 24.159 1.00 13.99 1UBQ 367 ATOM 298 O ASP 39 37.684 29.390 25.221 1.00 13.75 1UBQ 368 ATOM 299 CB ASP 39 40.340 27.692 24.468 1.00 24.16 1UBQ 369 ATOM 300 CG ASP 39 40.559 28.585 25.675 1.00 31.06 1UBQ 370 ATOM 301 OD1 ASP 39 40.716 29.809 25.456 1.00 35.55 1UBQ 371 ATOM 302 OD2 ASP 39 40.549 28.090 26.840 1.00 34.22 1UBQ 372 ATOM 303 N GLN 40 38.419 30.373 23.341 1.00 11.60 1UBQ 373 ATOM 304 CA GLN 40 37.738 31.637 23.712 1.00 10.76 1UBQ 374 ATOM 305 C GLN 40 36.334 31.742 23.087 1.00 8.01 1UBQ 375 ATOM 306 O GLN 40 35.574 32.618 23.483 1.00 8.96 1UBQ 376 ATOM 307 CB GLN 40 38.528 32.854 23.182 1.00 11.14 1UBQ 377 ATOM 308 CG GLN 40 39.919 32.854 23.840 1.00 14.85 1UBQ 378 ATOM 309 CD GLN 40 40.760 34.036 23.394 1.00 16.11 1UBQ 379 ATOM 310 OE1 GLN 40 41.975 34.008 23.624 1.00 20.52 1UBQ 380 ATOM 311 NE2 GLN 40 40.140 35.007 22.775 1.00 18.16 1UBQ 381 ATOM 312 N GLN 41 36.000 30.860 22.172 1.00 6.52 1UBQ 382 ATOM 313 CA GLN 41 34.738 30.875 21.473 1.00 3.87 1UBQ 383 ATOM 314 C GLN 41 33.589 30.189 22.181 1.00 4.79 1UBQ 384 ATOM 315 O GLN 41 33.580 29.009 22.499 1.00 6.34 1UBQ 385 ATOM 316 CB GLN 41 34.876 30.237 20.066 1.00 4.20 1UBQ 386 ATOM 317 CG GLN 41 36.012 30.860 19.221 1.00 3.20 1UBQ 387 ATOM 318 CD GLN 41 36.083 30.194 17.875 1.00 4.89 1UBQ 388 ATOM 319 OE1 GLN 41 35.048 29.702 17.393 1.00 5.21 1UBQ 389 ATOM 320 NE2 GLN 41 37.228 30.126 17.233 1.00 7.13 1UBQ 390 ATOM 321 N ARG 42 32.478 30.917 22.269 1.00 5.73 1UBQ 391 ATOM 322 CA ARG 42 31.200 30.329 22.780 1.00 6.97 1UBQ 392 ATOM 323 C ARG 42 30.210 30.509 21.650 1.00 7.15 1UBQ 393 ATOM 324 O ARG 42 29.978 31.726 21.269 1.00 7.33 1UBQ 394 ATOM 325 CB ARG 42 30.847 30.931 24.118 1.00 13.23 1UBQ 395 ATOM 326 CG ARG 42 29.412 30.796 24.598 1.00 21.27 1UBQ 396 ATOM 327 CD ARG 42 29.271 31.314 26.016 1.00 26.14 1UBQ 397 ATOM 328 NE ARG 42 27.875 31.317 26.443 1.00 32.26 1UBQ 398 ATOM 329 CZ ARG 42 27.132 32.423 26.574 1.00 34.32 1UBQ 399 ATOM 330 NH1 ARG 42 27.630 33.656 26.461 1.00 35.30 1UBQ 400 ATOM 331 NH2 ARG 42 25.810 32.299 26.732 1.00 36.39 1UBQ 401 ATOM 332 N LEU 43 29.694 29.436 21.054 1.00 4.65 1UBQ 402 ATOM 333 CA LEU 43 28.762 29.573 19.906 1.00 3.51 1UBQ 403 ATOM 334 C LEU 43 27.331 29.317 20.364 1.00 5.56 1UBQ 404 ATOM 335 O LEU 43 27.101 28.346 21.097 1.00 4.19 1UBQ 405 ATOM 336 CB LEU 43 29.151 28.655 18.755 1.00 3.74 1UBQ 406 ATOM 337 CG LEU 43 30.416 28.912 17.980 1.00 6.32 1UBQ 407 ATOM 338 CD1 LEU 43 30.738 27.693 17.122 1.00 9.55 1UBQ 408 ATOM 339 CD2 LEU 43 30.205 30.168 17.129 1.00 6.41 1UBQ 409 ATOM 340 N ILE 44 26.436 30.232 20.004 1.00 4.58 1UBQ 410 ATOM 341 CA ILE 44 25.034 30.170 20.401 1.00 5.55 1UBQ 411 ATOM 342 C ILE 44 24.101 30.149 19.196 1.00 5.46 1UBQ 412 ATOM 343 O ILE 44 24.196 30.948 18.287 1.00 6.04 1UBQ 413 ATOM 344 CB ILE 44 24.639 31.426 21.286 1.00 6.80 1UBQ 414 ATOM 345 CG1 ILE 44 25.646 31.670 22.421 1.00 10.31 1UBQ 415 ATOM 346 CG2 ILE 44 23.181 31.309 21.824 1.00 7.39 1UBQ 416 ATOM 347 CD1 ILE 44 25.778 30.436 23.356 1.00 13.90 1UBQ 417 ATOM 348 N PHE 45 23.141 29.187 19.241 1.00 6.75 1UBQ 418 ATOM 349 CA PHE 45 22.126 29.062 18.183 1.00 4.70 1UBQ 419 ATOM 350 C PHE 45 20.835 28.629 18.904 1.00 6.34 1UBQ 420 ATOM 351 O PHE 45 20.821 27.734 19.749 1.00 5.45 1UBQ 421 ATOM 352 CB PHE 45 22.494 28.057 17.109 1.00 5.51 1UBQ 422 ATOM 353 CG PHE 45 21.447 27.869 16.026 1.00 5.98 1UBQ 423 ATOM 354 CD1 PHE 45 21.325 28.813 15.005 1.00 6.86 1UBQ 424 ATOM 355 CD2 PHE 45 20.638 26.735 16.053 1.00 5.87 1UBQ 425 ATOM 356 CE1 PHE 45 20.369 28.648 14.001 1.00 6.68 1UBQ 426 ATOM 357 CE2 PHE 45 19.677 26.539 15.051 1.00 6.64 1UBQ 427 ATOM 358 CZ PHE 45 19.593 27.465 14.021 1.00 6.84 1UBQ 428 ATOM 359 N ALA 46 19.810 29.378 18.578 1.00 6.53 1UBQ 429 ATOM 360 CA ALA 46 18.443 29.143 19.083 1.00 7.15 1UBQ 430 ATOM 361 C ALA 46 18.453 28.941 20.591 1.00 9.00 1UBQ 431 ATOM 362 O ALA 46 17.860 27.994 21.128 1.00 11.15 1UBQ 432 ATOM 363 CB ALA 46 17.864 27.977 18.346 1.00 8.99 1UBQ 433 ATOM 364 N GLY 47 19.172 29.808 21.243 1.00 9.35 1UBQ 434 ATOM 365 CA GLY 47 19.399 29.894 22.655 1.00 11.68 1UBQ 435 ATOM 366 C GLY 47 20.083 28.729 23.321 1.00 11.14 1UBQ 436 ATOM 367 O GLY 47 19.991 28.584 24.561 1.00 13.93 1UBQ 437 ATOM 368 N LYS 48 20.801 27.931 22.578 1.00 10.47 1UBQ 438 ATOM 369 CA LYS 48 21.550 26.796 23.133 1.00 8.82 1UBQ 439 ATOM 370 C LYS 48 23.046 27.087 22.913 1.00 7.68 1UBQ 440 ATOM 371 O LYS 48 23.383 27.627 21.870 1.00 6.47 1UBQ 441 ATOM 372 CB LYS 48 21.242 25.519 22.391 1.00 9.74 1UBQ 442 ATOM 373 CG LYS 48 19.762 25.077 22.455 1.00 14.14 1UBQ 443 ATOM 374 CD LYS 48 19.634 23.885 21.531 1.00 16.32 1UBQ 444 ATOM 375 CE LYS 48 18.791 24.221 20.313 1.00 20.04 1UBQ 445 ATOM 376 NZ LYS 48 17.440 24.655 20.827 1.00 23.92 1UBQ 446 ATOM 377 N GLN 49 23.880 26.727 23.851 1.00 8.89 1UBQ 447 ATOM 378 CA GLN 49 25.349 26.872 23.643 1.00 7.18 1UBQ 448 ATOM 379 C GLN 49 25.743 25.586 22.922 1.00 8.23 1UBQ 449 ATOM 380 O GLN 49 25.325 24.489 23.378 1.00 9.70 1UBQ 450 ATOM 381 CB GLN 49 26.070 27.025 24.960 1.00 11.67 1UBQ 451 ATOM 382 CG GLN 49 27.553 27.356 24.695 1.00 15.82 1UBQ 452 ATOM 383 CD GLN 49 28.262 27.576 26.020 1.00 20.21 1UBQ 453 ATOM 384 OE1 GLN 49 29.189 26.840 26.335 1.00 23.23 1UBQ 454 ATOM 385 NE2 GLN 49 27.777 28.585 26.739 1.00 20.67 1UBQ 455 ATOM 386 N LEU 50 26.465 25.689 21.833 1.00 6.51 1UBQ 456 ATOM 387 CA LEU 50 26.826 24.521 21.012 1.00 7.41 1UBQ 457 ATOM 388 C LEU 50 27.994 23.781 21.643 1.00 8.27 1UBQ 458 ATOM 389 O LEU 50 28.904 24.444 22.098 1.00 8.34 1UBQ 459 ATOM 390 CB LEU 50 27.043 24.992 19.571 1.00 7.13 1UBQ 460 ATOM 391 CG LEU 50 25.931 25.844 18.959 1.00 7.53 1UBQ 461 ATOM 392 CD1 LEU 50 26.203 26.083 17.471 1.00 8.14 1UBQ 462 ATOM 393 CD2 LEU 50 24.577 25.190 19.079 1.00 9.11 1UBQ 463 ATOM 394 N GLU 51 27.942 22.448 21.648 1.00 9.43 1UBQ 464 ATOM 395 CA GLU 51 29.015 21.657 22.288 1.00 11.90 1UBQ 465 ATOM 396 C GLU 51 29.942 21.106 21.240 1.00 11.49 1UBQ 466 ATOM 397 O GLU 51 29.470 20.677 20.190 1.00 9.88 1UBQ 467 ATOM 398 CB GLU 51 28.348 20.540 23.066 1.00 16.56 1UBQ 468 ATOM 399 CG GLU 51 29.247 19.456 23.705 1.00 26.06 1UBQ 469 ATOM 400 CD GLU 51 28.722 19.047 25.066 1.00 29.86 1UBQ 470 ATOM 401 OE1 GLU 51 29.139 18.132 25.746 1.00 32.13 1UBQ 471 ATOM 402 OE2 GLU 51 27.777 19.842 25.367 1.00 33.44 1UBQ 472 ATOM 403 N ASP 52 31.233 21.090 21.459 1.00 12.71 1UBQ 473 ATOM 404 CA ASP 52 32.262 20.670 20.514 1.00 16.56 1UBQ 474 ATOM 405 C ASP 52 32.128 19.364 19.750 1.00 15.83 1UBQ 475 ATOM 406 O ASP 52 32.546 19.317 18.558 1.00 17.21 1UBQ 476 ATOM 407 CB ASP 52 33.638 20.716 21.242 1.00 21.05 1UBQ 477 ATOM 408 CG ASP 52 34.174 22.129 21.354 1.00 25.12 1UBQ 478 ATOM 409 OD1 ASP 52 35.252 22.322 21.958 1.00 28.37 1UBQ 479 ATOM 410 OD2 ASP 52 33.544 23.086 20.883 1.00 25.82 1UBQ 480 ATOM 411 N GLY 53 31.697 18.311 20.406 1.00 15.00 1UBQ 481 ATOM 412 CA GLY 53 31.568 16.962 19.825 1.00 11.77 1UBQ 482 ATOM 413 C GLY 53 30.320 16.698 19.051 1.00 11.10 1UBQ 483 ATOM 414 O GLY 53 30.198 15.657 18.366 1.00 11.25 1UBQ 484 ATOM 415 N ARG 54 29.340 17.594 19.076 1.00 8.53 1UBQ 485 ATOM 416 CA ARG 54 28.108 17.439 18.276 1.00 9.05 1UBQ 486 ATOM 417 C ARG 54 28.375 17.999 16.887 1.00 8.96 1UBQ 487 ATOM 418 O ARG 54 29.326 18.786 16.690 1.00 11.60 1UBQ 488 ATOM 419 CB ARG 54 26.926 18.191 18.892 1.00 7.97 1UBQ 489 ATOM 420 CG ARG 54 26.621 17.799 20.352 1.00 9.62 1UBQ 490 ATOM 421 CD ARG 54 26.010 16.370 20.280 1.00 12.20 1UBQ 491 ATOM 422 NE ARG 54 26.975 15.521 20.942 1.00 18.23 1UBQ 492 ATOM 423 CZ ARG 54 27.603 14.423 20.655 1.00 22.08 1UBQ 493 ATOM 424 NH1 ARG 54 27.479 13.733 19.537 1.00 23.38 1UBQ 494 ATOM 425 NH2 ARG 54 28.519 13.967 21.550 1.00 25.50 1UBQ 495 ATOM 426 N THR 55 27.510 17.689 15.954 1.00 9.05 1UBQ 496 ATOM 427 CA THR 55 27.574 18.192 14.563 1.00 9.03 1UBQ 497 ATOM 428 C THR 55 26.482 19.280 14.432 1.00 8.15 1UBQ 498 ATOM 429 O THR 55 25.609 19.388 15.287 1.00 5.91 1UBQ 499 ATOM 430 CB THR 55 27.299 17.055 13.533 1.00 11.15 1UBQ 500 ATOM 431 OG1 THR 55 25.925 16.611 13.913 1.00 11.95 1UBQ 501 ATOM 432 CG2 THR 55 28.236 15.864 13.558 1.00 11.71 1UBQ 502 ATOM 433 N LEU 56 26.585 20.063 13.378 1.00 6.91 1UBQ 503 ATOM 434 CA LEU 56 25.594 21.109 13.072 1.00 8.29 1UBQ 504 ATOM 435 C LEU 56 24.241 20.436 12.857 1.00 8.05 1UBQ 505 ATOM 436 O LEU 56 23.264 20.951 13.329 1.00 10.17 1UBQ 506 ATOM 437 CB LEU 56 26.084 21.888 11.833 1.00 6.60 1UBQ 507 ATOM 438 CG LEU 56 27.426 22.616 11.902 1.00 7.73 1UBQ 508 ATOM 439 CD1 LEU 56 27.718 23.341 10.578 1.00 9.85 1UBQ 509 ATOM 440 CD2 LEU 56 27.380 23.721 12.955 1.00 8.64 1UBQ 510 ATOM 441 N SER 57 24.240 19.233 12.246 1.00 8.92 1UBQ 511 ATOM 442 CA SER 57 22.924 18.583 12.025 1.00 9.00 1UBQ 512 ATOM 443 C SER 57 22.229 18.244 13.325 1.00 9.44 1UBQ 513 ATOM 444 O SER 57 20.963 18.253 13.395 1.00 10.91 1UBQ 514 ATOM 445 CB SER 57 23.059 17.326 11.154 1.00 10.32 1UBQ 515 ATOM 446 OG SER 57 23.914 16.395 11.755 1.00 13.59 1UBQ 516 ATOM 447 N ASP 58 22.997 17.978 14.366 1.00 9.11 1UBQ 517 ATOM 448 CA ASP 58 22.418 17.638 15.693 1.00 7.91 1UBQ 518 ATOM 449 C ASP 58 21.460 18.737 16.163 1.00 9.12 1UBQ 519 ATOM 450 O ASP 58 20.497 18.506 16.900 1.00 8.61 1UBQ 520 ATOM 451 CB ASP 58 23.461 17.331 16.741 1.00 8.41 1UBQ 521 ATOM 452 CG ASP 58 24.184 16.016 16.619 1.00 11.50 1UBQ 522 ATOM 453 OD1 ASP 58 25.303 15.894 17.152 1.00 10.05 1UBQ 523 ATOM 454 OD2 ASP 58 23.572 15.107 15.975 1.00 11.70 1UBQ 524 ATOM 455 N TYR 59 21.846 19.954 15.905 1.00 7.97 1UBQ 525 ATOM 456 CA TYR 59 21.079 21.149 16.251 1.00 8.45 1UBQ 526 ATOM 457 C TYR 59 20.142 21.590 15.149 1.00 10.98 1UBQ 527 ATOM 458 O TYR 59 19.499 22.645 15.321 1.00 12.95 1UBQ 528 ATOM 459 CB TYR 59 22.085 22.254 16.581 1.00 7.94 1UBQ 529 ATOM 460 CG TYR 59 22.945 21.951 17.785 1.00 6.91 1UBQ 530 ATOM 461 CD1 TYR 59 24.272 21.544 17.644 1.00 4.59 1UBQ 531 ATOM 462 CD2 TYR 59 22.437 22.157 19.065 1.00 6.98 1UBQ 532 ATOM 463 CE1 TYR 59 25.052 21.285 18.776 1.00 5.39 1UBQ 533 ATOM 464 CE2 TYR 59 23.204 21.907 20.192 1.00 6.52 1UBQ 534 ATOM 465 CZ TYR 59 24.517 21.470 20.030 1.00 6.76 1UBQ 535 ATOM 466 OH TYR 59 25.248 21.302 21.191 1.00 7.63 1UBQ 536 ATOM 467 N ASN 60 19.993 20.884 14.049 1.00 12.38 1UBQ 537 ATOM 468 CA ASN 60 19.065 21.352 12.999 1.00 13.94 1UBQ 538 ATOM 469 C ASN 60 19.442 22.745 12.510 1.00 14.16 1UBQ 539 ATOM 470 O ASN 60 18.571 23.610 12.289 1.00 14.26 1UBQ 540 ATOM 471 CB ASN 60 17.586 21.282 13.461 1.00 19.23 1UBQ 541 ATOM 472 CG ASN 60 16.576 21.258 12.315 1.00 22.65 1UBQ 542 ATOM 473 OD1 ASN 60 15.440 21.819 12.378 1.00 25.45 1UBQ 543 ATOM 474 ND2 ASN 60 16.924 20.586 11.216 1.00 24.09 1UBQ 544 ATOM 475 N ILE 61 20.717 22.964 12.260 1.00 11.08 1UBQ 545 ATOM 476 CA ILE 61 21.184 24.263 11.690 1.00 11.78 1UBQ 546 ATOM 477 C ILE 61 21.110 24.111 10.173 1.00 13.74 1UBQ 547 ATOM 478 O ILE 61 21.841 23.198 9.686 1.00 14.60 1UBQ 548 ATOM 479 CB ILE 61 22.650 24.516 12.172 1.00 11.80 1UBQ 549 ATOM 480 CG1 ILE 61 22.662 24.819 13.699 1.00 11.56 1UBQ 550 ATOM 481 CG2 ILE 61 23.376 25.645 11.409 1.00 13.29 1UBQ 551 ATOM 482 CD1 ILE 61 24.123 24.981 14.195 1.00 11.42 1UBQ 552 ATOM 483 N GLN 62 20.291 24.875 9.507 1.00 13.97 1UBQ 553 ATOM 484 CA GLN 62 20.081 24.773 8.033 1.00 15.52 1UBQ 554 ATOM 485 C GLN 62 20.822 25.914 7.332 1.00 13.94 1UBQ 555 ATOM 486 O GLN 62 21.323 26.830 8.008 1.00 12.15 1UBQ 556 ATOM 487 CB GLN 62 18.599 24.736 7.727 1.00 19.53 1UBQ 557 ATOM 488 CG GLN 62 17.819 23.434 7.900 1.00 26.38 1UBQ 558 ATOM 489 CD GLN 62 16.509 23.529 7.116 1.00 30.61 1UBQ 559 ATOM 490 OE1 GLN 62 15.446 22.980 7.433 1.00 33.23 1UBQ 560 ATOM 491 NE2 GLN 62 16.539 24.293 6.009 1.00 32.71 1UBQ 561 ATOM 492 N LYS 63 20.924 25.862 6.006 1.00 11.73 1UBQ 562 ATOM 493 CA LYS 63 21.656 26.847 5.240 1.00 11.97 1UBQ 563 ATOM 494 C LYS 63 21.127 28.240 5.574 1.00 10.41 1UBQ 564 ATOM 495 O LYS 63 19.958 28.465 5.842 1.00 9.59 1UBQ 565 ATOM 496 CB LYS 63 21.631 26.642 3.731 1.00 13.73 1UBQ 566 ATOM 497 CG LYS 63 20.210 26.423 3.175 1.00 16.98 1UBQ 567 ATOM 498 CD LYS 63 20.268 26.589 1.656 1.00 20.19 1UBQ 568 ATOM 499 CE LYS 63 19.202 25.857 .891 1.00 23.42 1UBQ 569 ATOM 500 NZ LYS 63 17.884 26.544 1.075 1.00 25.97 1UBQ 570 ATOM 501 N GLU 64 22.099 29.163 5.605 1.00 10.04 1UBQ 571 ATOM 502 CA GLU 64 21.907 30.563 5.881 1.00 10.94 1UBQ 572 ATOM 503 C GLU 64 21.466 30.953 7.261 1.00 9.74 1UBQ 573 ATOM 504 O GLU 64 21.066 32.112 7.533 1.00 9.42 1UBQ 574 ATOM 505 CB GLU 64 21.023 31.223 4.784 1.00 18.31 1UBQ 575 ATOM 506 CG GLU 64 21.861 31.342 3.474 1.00 24.16 1UBQ 576 ATOM 507 CD GLU 64 21.156 30.726 2.311 1.00 29.00 1UBQ 577 ATOM 508 OE1 GLU 64 19.942 30.793 2.170 1.00 31.72 1UBQ 578 ATOM 509 OE2 GLU 64 21.954 30.152 1.535 1.00 32.61 1UBQ 579 ATOM 510 N SER 65 21.674 30.034 8.191 1.00 6.85 1UBQ 580 ATOM 511 CA SER 65 21.419 30.253 9.620 1.00 6.90 1UBQ 581 ATOM 512 C SER 65 22.504 31.228 10.136 1.00 4.72 1UBQ 582 ATOM 513 O SER 65 23.579 31.321 9.554 1.00 3.91 1UBQ 583 ATOM 514 CB SER 65 21.637 28.923 10.353 1.00 7.28 1UBQ 584 ATOM 515 OG SER 65 20.544 28.047 10.059 1.00 10.56 1UBQ 585 ATOM 516 N THR 66 22.241 31.873 11.241 1.00 4.48 1UBQ 586 ATOM 517 CA THR 66 23.212 32.762 11.891 1.00 3.80 1UBQ 587 ATOM 518 C THR 66 23.509 32.224 13.290 1.00 4.60 1UBQ 588 ATOM 519 O THR 66 22.544 31.942 14.034 1.00 5.33 1UBQ 589 ATOM 520 CB THR 66 22.699 34.267 11.985 1.00 2.85 1UBQ 590 ATOM 521 OG1 THR 66 22.495 34.690 10.589 1.00 2.15 1UBQ 591 ATOM 522 CG2 THR 66 23.727 35.131 12.722 1.00 3.40 1UBQ 592 ATOM 523 N LEU 67 24.790 32.021 13.618 1.00 4.17 1UBQ 593 ATOM 524 CA LEU 67 25.149 31.609 14.980 1.00 3.85 1UBQ 594 ATOM 525 C LEU 67 25.698 32.876 15.669 1.00 3.80 1UBQ 595 ATOM 526 O LEU 67 26.158 33.730 14.894 1.00 5.54 1UBQ 596 ATOM 527 CB LEU 67 26.310 30.594 14.967 1.00 7.18 1UBQ 597 ATOM 528 CG LEU 67 26.290 29.480 13.960 1.00 9.67 1UBQ 598 ATOM 529 CD1 LEU 67 27.393 28.442 14.229 1.00 8.12 1UBQ 599 ATOM 530 CD2 LEU 67 24.942 28.807 13.952 1.00 11.66 1UBQ 600 ATOM 531 N HIS 68 25.621 32.945 16.950 1.00 2.94 1UBQ 601 ATOM 532 CA HIS 68 26.179 34.127 17.650 1.00 4.17 1UBQ 602 ATOM 533 C HIS 68 27.475 33.651 18.304 1.00 5.32 1UBQ 603 ATOM 534 O HIS 68 27.507 32.587 18.958 1.00 7.70 1UBQ 604 ATOM 535 CB HIS 68 25.214 34.565 18.780 1.00 5.57 1UBQ 605 ATOM 536 CG HIS 68 23.978 35.121 18.126 1.00 9.95 1UBQ 606 ATOM 537 ND1 HIS 68 23.853 36.432 17.781 1.00 13.74 1UBQ 607 ATOM 538 CD2 HIS 68 22.824 34.514 17.782 1.00 12.79 1UBQ 608 ATOM 539 CE1 HIS 68 22.674 36.627 17.200 1.00 14.75 1UBQ 609 ATOM 540 NE2 HIS 68 22.045 35.455 17.173 1.00 16.30 1UBQ 610 ATOM 541 N LEU 69 28.525 34.447 18.189 1.00 5.29 1UBQ 611 ATOM 542 CA LEU 69 29.801 34.145 18.829 1.00 3.97 1UBQ 612 ATOM 543 C LEU 69 30.052 35.042 20.004 1.00 5.07 1UBQ 613 ATOM 544 O LEU 69 30.105 36.305 19.788 1.00 4.34 1UBQ 614 ATOM 545 CB LEU 69 30.925 34.304 17.753 1.00 6.08 1UBQ 615 ATOM 546 CG LEU 69 32.345 34.183 18.358 1.00 7.37 1UBQ 616 ATOM 547 CD1 LEU 69 32.555 32.783 18.870 1.00 6.87 1UBQ 617 ATOM 548 CD2 LEU 69 33.361 34.491 17.245 1.00 9.96 1UBQ 618 ATOM 549 N VAL 70 30.124 34.533 21.191 1.00 4.29 1UBQ 619 ATOM 550 CA VAL 70 30.479 35.369 22.374 1.00 6.26 1UBQ 620 ATOM 551 C VAL 70 31.901 34.910 22.728 1.00 9.22 1UBQ 621 ATOM 552 O VAL 70 32.190 33.696 22.635 1.00 9.36 1UBQ 622 ATOM 553 CB VAL 70 29.472 35.181 23.498 1.00 8.69 1UBQ 623 ATOM 554 CG1 VAL 70 29.821 35.957 24.765 1.00 9.76 1UBQ 624 ATOM 555 CG2 VAL 70 28.049 35.454 23.071 1.00 8.54 1UBQ 625 ATOM 556 N LEU 71 32.763 35.831 23.090 1.00 12.71 1UBQ 626 ATOM 557 CA LEU 71 34.145 35.472 23.481 1.00 16.06 1UBQ 627 ATOM 558 C LEU 71 34.239 35.353 24.979 1.00 18.09 1UBQ 628 ATOM 559 O LEU 71 33.707 36.197 25.728 1.00 19.26 1UBQ 629 ATOM 560 CB LEU 71 35.114 36.564 22.907 1.00 17.10 1UBQ 630 ATOM 561 CG LEU 71 35.926 35.979 21.737 1.00 19.37 1UBQ 631 ATOM 562 CD1 LEU 71 35.003 35.084 20.920 1.00 17.51 1UBQ 632 ATOM 563 CD2 LEU 71 36.533 37.087 20.917 1.00 19.57 1UBQ 633 ATOM 564 N ARG 72 34.930 34.384 25.451 1.00 21.47 1UBQ 634 ATOM 565 CA ARG 72 35.161 34.174 26.896 1.00 25.83 1UBQ 635 ATOM 566 C ARG 72 36.671 34.296 27.089 1.00 27.74 1UBQ 636 ATOM 567 O ARG 72 37.305 33.233 26.795 1.00 30.65 1UBQ 637 ATOM 568 CB ARG 72 34.717 32.760 27.286 1.00 28.49 1UBQ 638 ATOM 569 CG ARG 72 35.752 32.054 28.160 1.00 31.79 1UBQ 639 ATOM 570 CD ARG 72 35.612 30.577 28.044 1.00 34.05 1UBQ 640 ATOM 571 NE ARG 72 35.040 30.252 26.730 1.00 35.08 1UBQ 641 ATOM 572 CZ ARG 72 34.338 29.103 26.650 1.00 34.67 1UBQ 642 ATOM 573 NH1 ARG 72 34.110 28.437 27.768 1.00 35.02 1UBQ 643 ATOM 574 NH2 ARG 72 34.014 28.657 25.457 1.00 34.97 1UBQ 644 ATOM 575 N LEU 73 37.197 35.397 27.513 .45 28.93 1UBQ 645 ATOM 576 CA LEU 73 38.668 35.502 27.680 .45 30.76 1UBQ 646 ATOM 577 C LEU 73 39.076 34.931 29.031 .45 32.18 1UBQ 647 ATOM 578 O LEU 73 38.297 34.946 29.996 .45 32.31 1UBQ 648 ATOM 579 CB LEU 73 39.080 36.941 27.406 .45 30.53 1UBQ 649 ATOM 580 CG LEU 73 39.502 37.340 26.002 .45 30.16 1UBQ 650 ATOM 581 CD1 LEU 73 38.684 36.647 24.923 .45 29.57 1UBQ 651 ATOM 582 CD2 LEU 73 39.337 38.854 25.862 .45 29.11 1UBQ 652 ATOM 583 N ARG 74 40.294 34.412 29.045 .45 33.82 1UBQ 653 ATOM 584 CA ARG 74 40.873 33.802 30.253 .45 35.33 1UBQ 654 ATOM 585 C ARG 74 41.765 34.829 30.944 .45 36.22 1UBQ 655 ATOM 586 O ARG 74 42.945 34.994 30.583 .45 36.70 1UBQ 656 ATOM 587 CB ARG 74 41.651 32.529 29.923 .45 36.91 1UBQ 657 ATOM 588 CG ARG 74 41.608 31.444 30.989 .45 38.62 1UBQ 658 ATOM 589 CD ARG 74 41.896 30.080 30.456 .45 39.75 1UBQ 659 ATOM 590 NE ARG 74 43.311 29.735 30.563 .45 41.13 1UBQ 660 ATOM 591 CZ ARG 74 44.174 29.905 29.554 .45 41.91 1UBQ 661 ATOM 592 NH1 ARG 74 43.754 30.312 28.356 .45 42.75 1UBQ 662 ATOM 593 NH2 ARG 74 45.477 29.726 29.763 .45 41.93 1UBQ 663 ATOM 594 N GLY 75 41.165 35.531 31.898 .25 36.31 1UBQ 664 ATOM 595 CA GLY 75 41.845 36.550 32.686 .25 36.07 1UBQ 665 ATOM 596 C GLY 75 41.251 37.941 32.588 .25 36.16 1UBQ 666 ATOM 597 O GLY 75 41.102 38.523 31.500 .25 36.26 1UBQ 667 ATOM 598 N GLY 76 40.946 38.472 33.757 .25 36.05 1UBQ 668 ATOM 599 CA GLY 76 40.373 39.813 33.944 .25 36.19 1UBQ 669 ATOM 600 C GLY 76 40.031 39.992 35.432 .25 36.20 1UBQ 670 ATOM 601 O GLY 76 38.933 40.525 35.687 .25 36.13 1UBQ 671 ATOM 602 OXT GLY 76 40.862 39.575 36.251 .25 36.27 1UBQ 672 TER 603 GLY 76 1UBQ 673 HETATM 604 O HOH 1 45.747 30.081 19.708 1.00 12.43 1UBQ 674 HETATM 605 O HOH 2 19.168 31.868 17.050 1.00 12.65 1UBQ 675 HETATM 606 O HOH 3 32.010 38.387 19.636 1.00 12.83 1UBQ 676 HETATM 607 O HOH 4 42.084 27.361 21.953 1.00 22.27 1UBQ 677 HETATM 608 O HOH 5 21.314 20.644 8.719 1.00 18.33 1UBQ 678 HETATM 609 O HOH 6 31.965 38.637 3.699 1.00 31.69 1UBQ 679 HETATM 610 O HOH 7 27.707 15.908 4.653 1.00 20.30 1UBQ 680 HETATM 611 O HOH 8 19.969 32.720 14.769 1.00 10.14 1UBQ 681 HETATM 612 O HOH 9 29.847 13.577 10.864 1.00 29.65 1UBQ 682 HETATM 613 O HOH 10 23.893 27.864 1.501 1.00 23.48 1UBQ 683 HETATM 614 O HOH 11 19.638 23.312 4.775 1.00 18.40 1UBQ 684 HETATM 615 O HOH 12 34.628 29.369 4.779 1.00 26.17 1UBQ 685 HETATM 616 O HOH 13 42.240 24.744 25.707 1.00 31.34 1UBQ 686 HETATM 617 O HOH 14 30.290 42.500 8.820 1.00 16.49 1UBQ 687 HETATM 618 O HOH 15 24.512 39.162 10.841 1.00 13.14 1UBQ 688 HETATM 619 O HOH 16 26.557 43.450 19.940 1.00 19.38 1UBQ 689 HETATM 620 O HOH 17 42.535 22.385 13.872 1.00 29.35 1UBQ 690 HETATM 621 O HOH 18 42.440 26.381 12.686 1.00 29.46 1UBQ 691 HETATM 622 O HOH 19 22.651 14.457 13.085 1.00 22.07 1UBQ 692 HETATM 623 O HOH 20 35.325 26.551 23.202 1.00 15.20 1UBQ 693 HETATM 624 O HOH 21 23.629 20.940 3.146 1.00 15.45 1UBQ 694 HETATM 625 O HOH 22 25.928 21.774 2.325 1.00 13.70 1UBQ 695 HETATM 626 O HOH 23 33.388 21.973 5.659 1.00 24.89 1UBQ 696 HETATM 627 O HOH 24 18.326 23.911 17.697 1.00 24.10 1UBQ 697 HETATM 628 O HOH 25 18.160 27.072 10.662 1.00 20.76 1UBQ 698 HETATM 629 O HOH 26 34.746 17.167 18.219 1.00 32.86 1UBQ 699 HETATM 630 O HOH 27 19.801 32.364 20.210 1.00 21.09 1UBQ 700 HETATM 631 O HOH 28 30.285 26.829 22.191 1.00 8.56 1UBQ 701 HETATM 632 O HOH 29 44.612 32.306 16.961 1.00 7.69 1UBQ 702 HETATM 633 O HOH 30 16.287 25.999 13.142 .78 28.90 1UBQ 703 HETATM 634 O HOH 31 27.101 42.135 15.494 .51 23.36 1UBQ 704 HETATM 635 O HOH 32 37.209 23.795 21.367 .74 27.88 1UBQ 705 HETATM 636 O HOH 33 19.582 32.034 -.685 .49 22.24 1UBQ 706 HETATM 637 O HOH 34 28.824 25.094 .886 .77 36.99 1UBQ 707 HETATM 638 O HOH 35 25.146 19.162 25.323 .87 36.70 1UBQ 708 HETATM 639 O HOH 36 20.747 37.769 14.674 .85 29.64 1UBQ 709 HETATM 640 O HOH 37 16.035 17.841 8.765 .61 23.89 1UBQ 710 HETATM 641 O HOH 38 35.712 46.814 12.926 .48 27.11 1UBQ 711 HETATM 642 O HOH 39 15.570 27.475 7.482 .51 24.18 1UBQ 712 HETATM 643 O HOH 40 33.447 21.075 2.918 .59 26.03 1UBQ 713 HETATM 644 O HOH 41 41.116 39.021 13.061 .63 22.39 1UBQ 714 HETATM 645 O HOH 42 32.346 13.689 18.912 .48 24.09 1UBQ 715 HETATM 646 O HOH 43 31.197 13.048 7.920 .71 29.54 1UBQ 716 HETATM 647 O HOH 44 42.853 39.375 29.308 .64 46.90 1UBQ 717 HETATM 648 O HOH 45 39.646 23.959 9.699 .41 18.25 1UBQ 718 HETATM 649 O HOH 46 34.405 45.181 13.420 .87 26.13 1UBQ 719 HETATM 650 O HOH 47 26.517 24.300 27.592 .41 21.02 1UBQ 720 HETATM 651 O HOH 48 40.740 38.734 9.602 .45 16.60 1UBQ 721 HETATM 652 O HOH 49 31.494 18.276 23.170 .67 26.53 1UBQ 722 HETATM 653 O HOH 50 37.752 30.947 1.059 .87 32.52 1UBQ 723 HETATM 654 O HOH 51 31.771 16.941 7.511 .64 15.94 1UBQ 724 HETATM 655 O HOH 52 41.628 24.537 10.145 .57 22.53 1UBQ 725 HETATM 656 O HOH 53 28.988 22.175 -1.744 .56 29.32 1UBQ 726 HETATM 657 O HOH 54 14.882 16.539 10.692 .53 24.82 1UBQ 727 HETATM 658 O HOH 55 32.589 40.385 7.523 .36 26.01 1UBQ 728 HETATM 659 O HOH 56 38.363 30.369 5.579 .49 35.45 1UBQ 729 HETATM 660 O HOH 57 27.841 46.062 17.589 .81 32.15 1UBQ 730 HETATM 661 O HOH 58 37.667 43.421 17.000 .50 33.32 1UBQ 731 MASTER 39 0 0 2 5 9 0 6 660 1 0 6 1UBQA 18 END 1UBQ 733