*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 1lio_c01 ADENOSINE KINASE user 1 3 RMSD = 0.89 A TRANSFORM 0.0643 0.2580 -0.9640 -0.2868 0.9300 0.2297 -0.9558 -0.2617 -0.1338 42.460 -4.528 63.946 A 316 ALA A 144 ALA~? A 317 GLY A 143 GLY~? A 318 ASP A 37 ASP~? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 1 3 RMSD = 0.91 A TRANSFORM -0.0659 0.2395 -0.9686 0.8771 -0.4489 -0.1707 0.4757 0.8609 0.1805 56.746 -113.892 -162.606 A 420 ALA A 111 ALA~? B 182 GLY A 85 GLY.? B 183 GLY A 106 GLY^? ULMNm 3 1lio_c01 ADENOSINE KINASE user 2 3 RMSD = 0.91 A TRANSFORM 0.4606 0.8023 0.3796 0.1223 0.3662 -0.9225 0.8791 -0.4713 -0.0706 -16.303 52.955 -5.210 A 316 ALA B 144 ALA~? A 317 GLY B 143 GLY~? A 318 ASP B 37 ASP~? ULMNm 3 1asy_c00 TRANSFER RIBONUCLEIC ACID (TRNAASP) user 4 3 RMSD = 0.97 A TRANSFORM -0.3844 -0.1926 -0.9028 -0.0967 -0.9642 0.2469 0.9181 -0.1823 -0.3520 95.963 78.325 -29.231 B 325 ARG A 59 ARG.? B 342 ASP A 64 ASP.? B 531 ARG A 72 ARG^? ULMNm 3 1lij_c01 ADENOSINE KINASE user 1 3 RMSD = 0.97 A TRANSFORM 0.6722 -0.2708 0.6890 0.7293 0.4022 -0.5535 0.1273 -0.8746 -0.4678 126.847 11.182 29.958 A 316 ALA A 144 ALA~? A 317 GLY A 143 GLY~? A 318 ASP A 37 ASP~? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 1 3 RMSD = 1.00 A TRANSFORM -0.5183 -0.7734 -0.3651 0.6166 -0.0422 -0.7861 -0.5926 0.6326 -0.4987 53.132 -10.199 -46.593 B 250 ALA A 144 ALA~? B 251 GLY A 143 GLY~? B 252 ASP A 37 ASP~? ULMNm 3 1lij_c01 ADENOSINE KINASE user 2 3 RMSD = 1.01 A TRANSFORM -0.9371 -0.3457 0.0493 -0.3198 0.9063 0.2762 0.1402 -0.2430 0.9598 196.882 23.479 -50.566 A 316 ALA B 144 ALA~? A 317 GLY B 143 GLY~? A 318 ASP B 37 ASP~? ULMNm 3 1t0u_c01 URIDINE PHOSPHORYLASE user 1 3 RMSD = 1.02 A TRANSFORM -0.4378 0.2045 -0.8755 0.7189 0.6645 -0.2042 -0.5400 0.7188 0.4379 0.818 -17.642 -44.596 B 8 HIS A 119 HIS~? B 80 GLU A 89 GLU~? B 223 ARG A 8 ARG^? ULMNm 3 1d6o_c01 FK506-BINDING PROTEIN user 7 3 RMSD = 1.02 A TRANSFORM 0.9975 -0.0710 -0.0017 0.0686 0.9694 -0.2357 -0.0184 -0.2350 -0.9718 24.650 -31.608 7.772 B 37 ASP B 53 ASP.? B 56 ILE B 14 ILE^? B 82 TYR B 21 TYR^? ULMNm 3 1t4c_c02 FORMYL-COENZYME A TRANSFERASE user 3 3 RMSD = 1.03 A TRANSFORM -0.7969 -0.4476 0.4058 0.0604 -0.7274 -0.6836 -0.6011 0.5202 -0.6066 81.903 62.698 33.218 A 261 GLY A 159 GLY.? B 17 GLN A 157 GLN.? B 140 GLU A 160 GLU^? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 1 3 RMSD = 1.03 A TRANSFORM -0.4806 -0.3389 0.8088 0.3868 0.7458 0.5424 0.7870 -0.5735 0.2274 22.765 -54.925 -3.216 A 250 ALA A 144 ALA~? A 251 GLY A 143 GLY~? A 252 ASP A 37 ASP~? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 2 3 RMSD = 1.04 A TRANSFORM 0.6313 -0.4963 0.5960 -0.1012 0.7092 0.6977 0.7689 0.5008 -0.3975 -43.113 -46.553 -77.505 B 250 ALA B 144 ALA~? B 251 GLY B 143 GLY~? B 252 ASP B 37 ASP~? ULMNm 3 1d6o_c00 FK506-BINDING PROTEIN user 7 3 RMSD = 1.06 A TRANSFORM 0.9979 -0.0651 0.0004 0.0628 0.9623 -0.2645 -0.0168 -0.2639 -0.9644 21.577 -13.839 35.620 A 37 ASP B 53 ASP.? A 56 ILE B 14 ILE^? A 82 TYR B 21 TYR^? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 2 3 RMSD = 1.07 A TRANSFORM -0.0268 -0.9249 -0.3794 -0.6151 0.3144 -0.7230 -0.7880 -0.2140 0.5773 45.636 47.781 18.442 A 250 ALA B 144 ALA~? A 251 GLY B 143 GLY~? A 252 ASP B 37 ASP~? ULMNm 3 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 14 3 RMSD = 1.08 A TRANSFORM 0.9484 -0.1815 -0.2601 0.3023 0.2686 0.9146 0.0961 0.9460 -0.3096 32.827 24.718 29.448 229 ASP A 158 ASP.? 264 GLU B 66 GLU.? 328 ASP B 77 ASP.? ULMNm 3 1m53_c05 ISOMALTULOSE SYNTHASE user 5 3 RMSD = 1.10 A TRANSFORM -0.5457 -0.8272 -0.1341 0.1332 0.0724 -0.9884 -0.8273 0.5573 -0.0706 68.141 50.520 97.802 A 241 ASP A 79 ASP^? A 265 GLU A 182 GLU.? A 369 ASP A 52 ASP.? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 27 3 RMSD = 1.13 A TRANSFORM -0.4798 0.4820 0.7331 -0.2661 -0.8762 0.4019 -0.8361 0.0023 -0.5486 -23.103 3.270 74.970 141 ASP B 88 ASP~? 166 GLY B 109 GLY~? 169 GLU B 140 GLU~? ULMNm 3 1qol_c00 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 7 3 RMSD = 1.16 A TRANSFORM -0.3383 0.9176 -0.2088 0.6635 0.0753 -0.7443 0.6673 0.3903 0.6343 7.315 17.082 -27.645 A 51 ALA B 23 ALA^? A 148 HIS B 25 HIS^? A 163 ASP B 53 ASP.? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 2 3 RMSD = 1.17 A TRANSFORM 0.5057 0.8086 0.3006 -0.5934 0.0731 0.8016 -0.6262 0.5838 -0.5168 -4.299 -117.891 -74.519 A 420 ALA B 111 ALA~? B 182 GLY B 85 GLY.? B 183 GLY B 106 GLY^? ULMNm 3 1qol_c07 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 8 3 RMSD = 1.17 A TRANSFORM 0.5515 0.2002 0.8098 -0.6536 0.7069 0.2704 0.5183 0.6784 -0.5207 -89.034 14.126 -56.188 H 51 ALA B 51 ALA.? H 148 HIS B 25 HIS^? H 163 ASP B 53 ASP.? ULMNm 3 1asy_c00 TRANSFER RIBONUCLEIC ACID (TRNAASP) user 22 3 RMSD = 1.18 A TRANSFORM -0.1145 0.5781 0.8079 -0.9083 0.2685 -0.3209 0.4024 0.7705 -0.4944 26.580 77.985 -25.971 B 325 ARG B 54 ARG.? B 342 ASP A 16 ASP^? B 531 ARG A 130 ARG^? ULMNm 3 1qgx_c02 3',5'-ADENOSINE BISPHOSPHATASE user 2 3 RMSD = 1.18 A TRANSFORM -0.0713 0.5174 -0.8528 -0.6177 -0.6942 -0.3695 0.7832 -0.5004 -0.3691 34.743 72.601 -18.434 A 49 ASP B 77 ASP.? A 147 THR B 75 THR.? A 294 ASP A 18 ASP.? ULMNm 3 1ct9_c05 ASPARAGINE SYNTHETASE B user 1 3 RMSD = 1.19 A TRANSFORM 0.6571 0.7372 -0.1572 -0.4721 0.2399 -0.8483 0.5877 -0.6316 -0.5057 10.210 51.429 24.534 B 1 ALA A 120 ALA~? B 74 ASN B 24 ASN^? B 75 GLY A 124 GLY~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 4 3 RMSD = 1.19 A TRANSFORM -0.5062 0.7996 -0.3230 0.8400 0.3725 -0.3945 0.1951 0.4711 0.8603 -2.502 -9.150 -31.238 141 ASP A 37 ASP~? 166 GLY A 106 GLY^? 169 GLU A 113 GLU~? ULMNm 3 1be1_c02 GLUTAMATE MUTASE user 4 3 RMSD = 1.19 A TRANSFORM -0.1202 -0.0216 -0.9925 -0.9245 0.3668 0.1039 -0.3619 -0.9300 0.0641 32.864 16.193 19.890 14 ASP B 52 ASP.? 16 HIS B 25 HIS^? 67 GLY A 85 GLY.? ULMNm 3 1ct9_c04 ASPARAGINE SYNTHETASE B user 1 3 RMSD = 1.20 A TRANSFORM 0.9861 0.0397 0.1614 -0.0810 0.9629 0.2576 0.1452 0.2671 -0.9527 -43.640 49.068 138.087 A 1 ALA A 120 ALA~? A 74 ASN B 24 ASN^? A 75 GLY A 124 GLY~? ULMNm 3 1qol_c00 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 9 3 RMSD = 1.20 A TRANSFORM -0.7987 0.5947 -0.0922 -0.3807 -0.6180 -0.6879 0.4660 0.5143 -0.7200 27.260 68.635 25.056 A 51 ALA B 51 ALA.? A 148 HIS B 25 HIS^? A 163 ASP B 53 ASP.? ULMNm 3 1dub_c15 2-ENOYL-COA HYDRATASE user 2 3 RMSD = 1.20 A TRANSFORM 0.6026 -0.7930 -0.0895 -0.7523 -0.6019 0.2677 0.2662 0.0940 0.9593 59.929 112.195 77.256 D 141 GLY B 143 GLY~? D 144 GLU B 38 GLU~? D 164 GLU B 140 GLU~? ULMNm 3 1bqc_c01 BETA-MANNANASE user 2 3 RMSD = 1.21 A TRANSFORM 0.2559 0.9667 0.0020 0.8496 -0.2239 -0.4775 0.4612 -0.1239 0.8786 29.972 12.558 -49.628 A 50 ARG B 177 ARG.? A 128 GLU B 113 GLU~? A 225 GLU B 133 GLU^? ULMNm 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 11 3 RMSD = 1.21 A TRANSFORM 0.1831 -0.8968 0.4027 -0.2031 0.3663 0.9081 0.9619 0.2480 0.1151 19.083 11.758 -90.008 D 465 GLY B 76 GLY.? D 501 ASP B 88 ASP~? E 367 TYR B 22 TYR^? ULMNm 3 1qol_c01 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 7 3 RMSD = 1.21 A TRANSFORM 0.3200 -0.9291 0.1854 0.6247 0.0598 -0.7786 -0.7123 -0.3650 -0.5995 -38.124 20.373 103.898 B 51 ALA B 23 ALA^? B 148 HIS B 25 HIS^? B 163 ASP B 53 ASP.? ULMNm 3 1qol_c02 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 8 3 RMSD = 1.21 A TRANSFORM 0.6118 -0.7311 -0.3019 0.6105 0.1938 0.7679 0.5029 0.6542 -0.5649 -28.078 -74.670 14.988 C 51 ALA B 51 ALA.? C 148 HIS B 25 HIS^? C 163 ASP B 53 ASP.? ULMNm 3 1dub_c17 2-ENOYL-COA HYDRATASE user 2 3 RMSD = 1.21 A TRANSFORM 0.3579 0.6521 0.6683 -0.7912 -0.1683 0.5880 -0.4959 0.7392 -0.4557 7.057 89.247 198.942 F 141 GLY B 143 GLY~? F 144 GLU B 38 GLU~? F 164 GLU B 140 GLU~? ULMNm 3 1qol_c03 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 9 3 RMSD = 1.22 A TRANSFORM -0.6268 0.7291 0.2749 0.5823 0.2039 0.7870 -0.5177 -0.6534 0.5523 -2.882 -74.525 62.662 D 51 ALA B 51 ALA.? D 148 HIS B 25 HIS^? D 163 ASP B 53 ASP.? ULMNm 3 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 17 3 RMSD = 1.22 A TRANSFORM 0.9776 0.1663 0.1289 -0.2049 0.6125 0.7635 -0.0480 0.7728 -0.6328 3.482 47.625 57.013 229 ASP B 52 ASP.? 264 GLU B 66 GLU.? 328 ASP B 79 ASP^? ULMNm 3 1ct9_c06 ASPARAGINE SYNTHETASE B user 1 3 RMSD = 1.22 A TRANSFORM -0.3389 -0.8419 -0.4199 0.9047 -0.4140 0.1000 0.2581 0.3460 -0.9020 48.496 -17.285 45.529 C 1 ALA A 120 ALA~? C 74 ASN B 24 ASN^? C 75 GLY A 124 GLY~? ULMNm 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 11 3 RMSD = 1.22 A TRANSFORM 0.3187 -0.8347 -0.4490 -0.0326 0.4638 -0.8853 -0.9473 -0.2968 -0.1206 38.434 58.833 24.992 A 465 GLY B 76 GLY.? A 501 ASP B 88 ASP~? B 367 TYR B 22 TYR^? ULMNm 3 1dub_c14 2-ENOYL-COA HYDRATASE user 2 3 RMSD = 1.22 A TRANSFORM -0.5445 0.7919 0.2763 0.7343 0.6093 -0.2992 0.4053 -0.0399 0.9133 71.439 75.326 75.119 C 141 GLY B 143 GLY~? C 144 GLU B 38 GLU~? C 164 GLU B 140 GLU~? ULMNm 3 1dub_c13 2-ENOYL-COA HYDRATASE user 2 3 RMSD = 1.22 A TRANSFORM -0.4240 -0.5267 -0.7368 0.7908 0.1811 -0.5846 -0.4414 0.8305 -0.3397 144.998 95.691 188.012 B 141 GLY B 143 GLY~? B 144 GLU B 38 GLU~? B 164 GLU B 140 GLU~? ULMNm 3 1asy_c01 TRANSFER RIBONUCLEIC ACID (TRNAASP) user 19 3 RMSD = 1.24 A TRANSFORM 0.0877 -0.6891 -0.7194 0.8451 0.4338 -0.3125 -0.5274 0.5805 -0.6204 115.479 34.456 4.007 A 325 ARG B 54 ARG.? A 342 ASP A 16 ASP^? A 531 ARG A 130 ARG^? ULMNm 3 1qol_c01 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 9 3 RMSD = 1.24 A TRANSFORM 0.7836 -0.6136 0.0972 -0.4266 -0.6452 -0.6338 -0.4516 -0.4552 0.7674 -59.027 69.313 47.815 B 51 ALA B 51 ALA.? B 148 HIS B 25 HIS^? B 163 ASP B 53 ASP.? ULMNm 3 1dub_c16 2-ENOYL-COA HYDRATASE user 2 3 RMSD = 1.24 A TRANSFORM -0.1517 0.4548 -0.8776 -0.9796 -0.1873 0.0723 0.1315 -0.8707 -0.4739 134.162 131.862 186.444 E 141 GLY B 143 GLY~? E 144 GLU B 38 GLU~? E 164 GLU B 140 GLU~? ULMNm 3 1ct9_c07 ASPARAGINE SYNTHETASE B user 1 3 RMSD = 1.25 A TRANSFORM -0.6638 -0.1741 -0.7274 -0.3242 -0.8094 0.4897 0.6740 -0.5608 -0.4808 31.876 50.748 108.878 D 1 ALA A 120 ALA~? D 74 ASN B 24 ASN^? D 75 GLY A 124 GLY~? ULMNm 3 1qol_c05 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 8 3 RMSD = 1.26 A TRANSFORM -0.3990 -0.6179 -0.6775 -0.7137 0.6732 -0.1936 -0.5757 -0.4062 0.7096 55.179 40.873 -14.268 F 51 ALA B 51 ALA.? F 148 HIS B 25 HIS^? F 163 ASP B 53 ASP.? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 3 3 RMSD = 1.26 A TRANSFORM -0.5134 -0.7352 -0.4425 0.7320 -0.1062 -0.6729 -0.4478 0.6694 -0.5928 91.599 -99.356 -79.217 A 420 ALA B 111 ALA~? B 182 GLY B 106 GLY^? B 183 GLY B 85 GLY.? ULMNm 3 1uok_c04 OLIGO-1,6-GLUCOSIDASE user 22 3 RMSD = 1.26 A TRANSFORM 0.2074 -0.0826 -0.9748 0.8842 -0.4104 0.2229 0.4185 0.9082 0.0121 91.439 4.126 -17.254 199 ASP B 79 ASP^? 218 GLU A 140 GLU~? 329 ASP B 52 ASP.? ULMNm 3 1qol_c05 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 6 3 RMSD = 1.27 A TRANSFORM 0.6733 0.0779 -0.7352 -0.2214 0.9700 -0.1000 -0.7054 -0.2302 -0.6704 2.569 12.874 35.569 F 51 ALA B 23 ALA^? F 148 HIS B 25 HIS^? F 163 ASP B 53 ASP.? ULMNm 3 1qol_c03 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 7 3 RMSD = 1.27 A TRANSFORM -0.6472 0.7617 0.0305 -0.5846 -0.5216 0.6214 -0.4893 -0.3844 -0.7829 5.737 -9.841 103.068 D 51 ALA B 23 ALA^? D 148 HIS B 25 HIS^? D 163 ASP B 53 ASP.? ULMNm 3 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 13 3 RMSD = 1.29 A TRANSFORM 0.7356 0.6067 -0.3014 0.6274 -0.7779 -0.0348 0.2556 0.1635 0.9529 20.592 84.166 -9.006 229 ASP A 158 ASP.? 264 GLU A 182 GLU.? 328 ASP B 52 ASP.? ULMNm 3 1qol_c06 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 9 3 RMSD = 1.30 A TRANSFORM 0.5272 0.1621 0.8341 0.6952 -0.6468 -0.3137 -0.4886 -0.7453 0.4537 -87.737 -17.326 -3.415 G 51 ALA B 51 ALA.? G 148 HIS B 25 HIS^? G 163 ASP B 53 ASP.? ULMNm 3 1t0u_c01 URIDINE PHOSPHORYLASE user 8 3 RMSD = 1.30 A TRANSFORM 0.5820 0.8089 0.0828 -0.7355 0.5671 -0.3707 0.3468 -0.1549 -0.9251 -61.668 63.684 -1.207 B 8 HIS B 119 HIS~? B 80 GLU B 89 GLU~? B 223 ARG B 8 ARG^? ULMNm 3 1qol_c06 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 7 3 RMSD = 1.30 A TRANSFORM -0.6390 -0.5364 0.5512 0.6793 -0.7298 0.0773 -0.3608 -0.4239 -0.8308 -19.502 -28.702 30.392 G 51 ALA B 23 ALA^? G 148 HIS B 25 HIS^? G 163 ASP B 53 ASP.? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 8 3 RMSD = 1.30 A TRANSFORM 0.7786 0.3437 -0.5250 0.4412 -0.8948 0.0685 0.4462 0.2849 0.8484 -28.192 18.581 -31.020 141 ASP A 65 ASP.? 166 GLY A 85 GLY.? 169 GLU A 38 GLU~? ULMNm 3 1qol_c04 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 6 3 RMSD = 1.31 A TRANSFORM 0.6525 0.1114 -0.7495 0.2572 -0.9630 0.0808 0.7128 0.2455 0.6570 3.468 -14.124 -97.834 E 51 ALA B 23 ALA^? E 148 HIS B 25 HIS^? E 163 ASP B 53 ASP.? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 13 3 RMSD = 1.31 A TRANSFORM 0.8527 -0.1299 -0.5059 0.1776 -0.8387 0.5148 0.4912 0.5288 0.6922 -13.816 9.763 -32.047 141 ASP A 88 ASP~? 166 GLY A 109 GLY~? 169 GLU A 140 GLU~? ULMNm 3 3hde_o00 LYSOZYME user 1 3 RMSD = 1.32 A TRANSFORM -0.7531 -0.5271 0.3937 -0.1549 0.7236 0.6726 0.6394 -0.4456 0.6266 16.379 -50.690 -36.944 A 35 GLU A 140 GLU~? A 44 ASP A 37 ASP~? A 50 THR A 36 THR~? ULMNm 3 1be1_c02 GLUTAMATE MUTASE user 2 3 RMSD = 1.32 A TRANSFORM -0.5534 -0.5611 -0.6155 0.7418 0.0040 -0.6706 -0.3787 0.8277 -0.4140 51.139 -15.027 -19.000 14 ASP A 53 ASP.? 16 HIS A 25 HIS^? 67 GLY A 60 GLY.? ULMNm 3 1itx_c00 GLYCOSYL HYDROLASE user 1 3 RMSD = 1.33 A TRANSFORM 0.7588 -0.5086 -0.4069 0.3895 0.8551 -0.3423 -0.5220 -0.1012 -0.8469 -8.112 -18.710 59.609 A 202 ASP A 88 ASP~? A 204 GLU A 89 GLU~? A 279 TYR A 126 TYR.? ULMNm 3 1qol_c02 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 6 3 RMSD = 1.33 A TRANSFORM 0.6739 -0.7363 -0.0611 -0.5393 -0.5467 0.6405 0.5050 0.3987 0.7655 -38.712 -11.692 -26.694 C 51 ALA B 23 ALA^? C 148 HIS B 25 HIS^? C 163 ASP B 53 ASP.? ULMNm 3 1foh_c01 PHENOL HYDROXYLASE user 2 3 RMSD = 1.33 A TRANSFORM -0.9648 0.2369 -0.1141 -0.2293 -0.5457 0.8060 -0.1287 -0.8038 -0.5809 119.246 90.059 148.733 B 54 ASP A 52 ASP.? B 281 ARG A 71 ARG^? B 289 TYR A 21 TYR^? ULMNm 3 1foh_c00 PHENOL HYDROXYLASE user 2 3 RMSD = 1.33 A TRANSFORM -0.6171 0.7701 0.1615 0.3566 0.4566 -0.8151 0.7015 0.4454 0.5564 43.026 29.336 -9.673 A 54 ASP A 52 ASP.? A 281 ARG A 71 ARG^? A 289 TYR A 21 TYR^? ULMNm 3 1qol_c04 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 8 3 RMSD = 1.33 A TRANSFORM -0.4299 -0.5974 -0.6770 0.7068 -0.6893 0.1593 0.5618 0.4100 -0.7185 56.210 -39.510 -47.105 E 51 ALA B 51 ALA.? E 148 HIS B 25 HIS^? E 163 ASP B 53 ASP.? ULMNm 3 1be1_c02 GLUTAMATE MUTASE user 5 3 RMSD = 1.33 A TRANSFORM -0.4075 -0.3075 -0.8599 -0.9124 0.1751 0.3699 -0.0368 -0.9353 0.3519 44.159 9.172 -3.038 14 ASP B 52 ASP.? 16 HIS B 25 HIS^? 67 GLY A 109 GLY~? ULMNm 3 1amy_c01 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 26 3 RMSD = 1.34 A TRANSFORM 0.9004 -0.1128 0.4202 0.4348 0.2629 -0.8613 0.0133 -0.9582 -0.2858 -20.389 80.398 78.419 179 ASP A 166 ASP.? 214 ASP B 79 ASP^? 289 ASP A 153 ASP^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 14 3 RMSD = 1.34 A TRANSFORM -0.4126 0.4941 -0.7652 0.6461 0.7510 0.1365 -0.6421 0.4381 0.6291 47.694 -25.966 -2.212 141 ASP B 16 ASP^? 166 GLY B 106 GLY^? 169 GLU B 113 GLU~? ULMNm 3 1amy_c01 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 23 3 RMSD = 1.34 A TRANSFORM 0.9015 -0.1726 0.3969 0.4106 0.6312 -0.6581 0.1369 -0.7562 -0.6399 -17.578 59.098 80.659 179 ASP A 166 ASP.? 214 ASP B 52 ASP.? 289 ASP A 153 ASP^? ULMNm 3 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 24 3 RMSD = 1.34 A TRANSFORM 0.8963 -0.4378 -0.0707 -0.0541 0.0503 -0.9973 -0.4401 -0.8977 -0.0215 31.820 129.387 83.670 229 ASP B 73 ASP.? 264 GLU A 182 GLU.? 328 ASP A 18 ASP.? ULMNm 3 1uok_c05 OLIGO-1,6-GLUCOSIDASE user 19 3 RMSD = 1.34 A TRANSFORM -0.4934 0.2950 -0.8182 0.8068 -0.1961 -0.5573 0.3249 0.9351 0.1413 101.012 42.652 -27.194 199 ASP B 77 ASP.? 242 GLU B 89 GLU~? 329 ASP A 158 ASP.? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 10 3 RMSD = 1.34 A TRANSFORM -0.6175 0.0609 -0.7842 0.7401 -0.2924 -0.6056 0.2662 0.9544 -0.1354 106.826 36.739 -10.319 A 229 ALA B 95 ALA~? A 257 ALA B 102 ALA^? A 328 ASP B 83 ASP^? ULMNm 3 1ct9_c05 ASPARAGINE SYNTHETASE B user 3 3 RMSD = 1.36 A TRANSFORM -0.3600 -0.3676 -0.8575 0.7030 0.4974 -0.5083 -0.6133 0.7858 -0.0794 112.994 20.714 49.472 B 1 ALA B 122 ALA~? B 74 ASN B 121 ASN~? B 75 GLY B 124 GLY~? ULMNm 3 1ctn_c00 CHITINASE A (E.C.3.2.1.14) (PH 5.5, user 1 3 RMSD = 1.36 A TRANSFORM -0.6909 -0.4930 -0.5288 -0.0537 0.7644 -0.6425 -0.7209 0.4155 0.5546 70.737 95.121 31.940 313 ASP A 88 ASP~? 315 GLU A 89 GLU~? 390 TYR A 126 TYR.? ULMNm 3 1qrz_c21 PLASMINOGEN user 3 3 RMSD = 1.36 A TRANSFORM -0.0180 0.8690 0.4945 0.8253 0.2922 -0.4833 0.5645 -0.3994 0.7224 -67.227 -21.360 -30.808 B 603 HIS A 119 HIS~? B 646 ASP A 88 ASP~? B 739 GLY A 108 GLY.? ULMNm 3 1ct9_c07 ASPARAGINE SYNTHETASE B user 3 3 RMSD = 1.37 A TRANSFORM 0.7384 0.6706 -0.0713 -0.0491 0.1589 0.9861 -0.6725 0.7246 -0.1503 -39.742 -24.442 145.862 D 1 ALA B 122 ALA~? D 74 ASN B 121 ASN~? D 75 GLY B 124 GLY~? ULMNm 3 1amy_c01 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 42 3 RMSD = 1.37 A TRANSFORM -0.4096 0.0462 -0.9111 0.8809 0.2798 -0.3818 -0.2373 0.9590 0.1553 59.869 50.527 4.782 179 ASP B 77 ASP.? 214 ASP A 166 ASP.? 289 ASP A 158 ASP.? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 5 3 RMSD = 1.37 A TRANSFORM -0.9948 -0.0935 0.0406 0.0964 -0.7344 0.6718 0.0330 -0.6722 -0.7396 80.854 14.871 29.463 A 229 ALA A 122 ALA~? A 257 ALA A 120 ALA~? A 328 ASP B 153 ASP^? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 4 3 RMSD = 1.38 A TRANSFORM 0.8323 -0.2484 0.4955 -0.5290 -0.0888 0.8440 0.1656 0.9646 0.2053 29.593 -11.844 -29.141 A 67 ASP A 166 ASP.? A 68 ALA A 165 ALA^? A 72 LEU A 164 LEU^? ULMNm 3 1bd3_c02 URACIL PHOSPHORIBOSYLTRANSFERASE user 5 3 RMSD = 1.38 A TRANSFORM -0.3800 0.7680 0.5156 0.2884 -0.4312 0.8549 -0.8789 -0.4735 0.0576 -27.955 59.238 88.681 C 137 ARG A 72 ARG^? C 141 THR A 75 THR.? C 235 ASP A 83 ASP^? ULMNm 3 1qho_c05 ALPHA-AMYLASE user 4 3 RMSD = 1.38 A TRANSFORM 0.9715 0.0202 -0.2361 -0.1950 0.6338 -0.7485 -0.1345 -0.7732 -0.6197 -1.061 71.942 78.204 A 228 ASP A 52 ASP.? A 261 ASP A 65 ASP.? A 329 ASP A 79 ASP^? ULMNm 3 1ehy_c02 SOLUBLE EPOXIDE HYDROLASE user 3 3 RMSD = 1.39 A TRANSFORM -0.5732 -0.5220 -0.6316 -0.7057 0.7062 0.0567 -0.4164 -0.4783 0.7732 57.266 45.462 70.188 C 107 ASP B 53 ASP.? C 246 ASP B 153 ASP^? C 275 HIS B 25 HIS^? ULMNm 3 1qol_c00 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 6 3 RMSD = 1.39 A TRANSFORM -0.7327 0.5536 0.3958 0.2047 0.7340 -0.6476 0.6490 0.3935 0.6512 7.909 21.979 -27.620 A 51 ALA B 23 ALA^? A 148 HIS B 25 HIS^? A 163 ASP B 52 ASP.? ULMNm 3 1qho_c05 ALPHA-AMYLASE user 25 3 RMSD = 1.39 A TRANSFORM -0.0217 0.9993 0.0289 0.7414 -0.0033 0.6711 -0.6708 -0.0360 0.7408 7.072 19.257 25.832 A 228 ASP B 53 ASP.? A 261 ASP B 77 ASP.? A 329 ASP A 18 ASP.? ULMNm 3 1qrz_c22 PLASMINOGEN user 2 3 RMSD = 1.40 A TRANSFORM -0.5167 0.6604 -0.5448 -0.8470 -0.3018 0.4376 -0.1246 -0.6876 -0.7153 20.331 16.723 33.772 C 603 HIS A 119 HIS~? C 646 ASP A 88 ASP~? C 739 GLY A 108 GLY.? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 18 3 RMSD = 1.40 A TRANSFORM 0.9013 0.0030 0.4333 0.4102 -0.3282 -0.8509 -0.1396 -0.9446 0.2970 -39.664 28.140 16.832 141 ASP B 53 ASP.? 166 GLY A 108 GLY.? 169 GLU A 140 GLU~? ULMNm 3 1amy_c06 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 23 3 RMSD = 1.40 A TRANSFORM 0.5636 -0.1213 -0.8171 -0.4439 -0.8787 -0.1757 0.6967 -0.4617 0.5491 23.050 107.130 -8.176 179 ASP B 79 ASP^? 227 GLU B 66 GLU.? 289 ASP B 52 ASP.? ULMNm 3 1bd3_c00 URACIL PHOSPHORIBOSYLTRANSFERASE user 4 3 RMSD = 1.40 A TRANSFORM 0.3969 -0.7643 -0.5082 -0.2913 0.4201 -0.8594 -0.8704 -0.4892 0.0559 27.081 102.503 88.816 A 137 ARG A 72 ARG^? A 141 THR A 75 THR.? A 235 ASP A 83 ASP^? ULMNm 3 1uok_c04 OLIGO-1,6-GLUCOSIDASE user 23 3 RMSD = 1.41 A TRANSFORM 0.3939 -0.4904 -0.7774 -0.4174 0.6581 -0.6266 -0.8189 -0.5713 -0.0545 83.989 64.907 56.006 199 ASP B 79 ASP^? 218 GLU B 140 GLU~? 329 ASP B 52 ASP.? ULMNm 3 1bd3_c02 URACIL PHOSPHORIBOSYLTRANSFERASE user 15 3 RMSD = 1.41 A TRANSFORM -0.0690 0.1076 -0.9918 -0.7331 -0.6797 -0.0228 0.6766 -0.7255 -0.1258 43.101 114.333 34.353 C 137 ARG B 72 ARG^? C 141 THR B 75 THR.? C 235 ASP B 83 ASP^? ULMNm 3 1qol_c05 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 4 3 RMSD = 1.42 A TRANSFORM -0.2150 0.0105 0.9766 0.8760 0.4440 0.1881 0.4317 -0.8959 0.1047 -15.702 -34.639 2.093 F 51 ALA A 51 ALA.? F 148 HIS A 25 HIS^? F 163 ASP A 53 ASP.? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 20 3 RMSD = 1.42 A TRANSFORM 0.2241 0.9708 0.0851 -0.6109 0.2080 -0.7639 0.7593 -0.1192 -0.6398 -27.062 79.103 3.373 141 ASP B 64 ASP.? 166 GLY B 106 GLY^? 169 GLU B 113 GLU~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 19 3 RMSD = 1.42 A TRANSFORM 0.8907 0.0012 0.4545 0.3156 -0.7212 -0.6166 -0.3271 -0.6927 0.6428 -40.090 31.968 6.084 141 ASP B 53 ASP.? 166 GLY A 109 GLY~? 169 GLU A 140 GLU~? ULMNm 3 1qol_c07 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 6 3 RMSD = 1.42 A TRANSFORM -0.6405 -0.5098 0.5744 -0.6329 0.7740 -0.0188 0.4350 0.3756 0.8183 -21.272 22.075 -93.979 H 51 ALA B 23 ALA^? H 148 HIS B 25 HIS^? H 163 ASP B 53 ASP.? ULMNm 3 3ssc_d00 DNA BINDING PROTEIN/DNA user 2 3 RMSD = 1.42 A TRANSFORM 0.5771 -0.8004 -0.1623 -0.3456 -0.0593 -0.9365 -0.7400 -0.5965 0.3108 17.110 71.334 21.417 A 21 GLN B 178 GLN.? A 41 TYR B 126 TYR.? A 43 ASN B 128 ASN.? ULMNm 3 2odj_o01 PORIN D user 2 3 RMSD = 1.43 A TRANSFORM -0.2834 -0.6472 -0.7077 -0.4257 0.7462 -0.5118 -0.8593 -0.1563 0.4870 30.195 -17.306 96.750 B 156 HIS A 32 HIS.? B 208 ASP A 83 ASP^? B 296 SER A 26 SER^? ULMNm 3 1be1_c02 GLUTAMATE MUTASE user 3 3 RMSD = 1.44 A TRANSFORM -0.5056 -0.7767 0.3756 0.8625 -0.4665 0.1963 -0.0227 -0.4232 -0.9057 31.574 -22.323 36.725 14 ASP A 53 ASP.? 16 HIS A 25 HIS^? 67 GLY A 159 GLY.? ULMNm 3 1qol_c01 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 6 3 RMSD = 1.44 A TRANSFORM 0.7115 -0.5642 -0.4188 0.1657 0.7140 -0.6803 -0.6828 -0.4146 -0.6015 -38.623 25.299 103.627 B 51 ALA B 23 ALA^? B 148 HIS B 25 HIS^? B 163 ASP B 52 ASP.? ULMNm 3 1qol_c05 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 5 3 RMSD = 1.44 A TRANSFORM 0.2045 0.7373 -0.6439 -0.6162 0.6080 0.5006 -0.7606 -0.2944 -0.5786 8.018 13.563 35.688 F 51 ALA B 23 ALA^? F 148 HIS B 25 HIS^? F 163 ASP B 52 ASP.? ULMNm 3 1qol_c01 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 4 3 RMSD = 1.44 A TRANSFORM -0.9239 -0.3242 -0.2033 -0.2013 -0.0401 0.9787 0.3255 -0.9451 0.0283 13.769 0.059 77.875 B 51 ALA A 51 ALA.? B 148 HIS A 25 HIS^? B 163 ASP A 53 ASP.? ULMNm 3 3hde_o00 LYSOZYME user 2 3 RMSD = 1.44 A TRANSFORM 0.4247 -0.8926 -0.1511 -0.2436 0.0481 -0.9687 -0.8719 -0.4482 0.1970 -14.223 36.679 17.153 A 35 GLU B 140 GLU~? A 44 ASP B 37 ASP~? A 50 THR B 36 THR~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 6 3 RMSD = 1.45 A TRANSFORM 0.6597 0.2896 -0.6935 0.5996 -0.7591 0.2535 0.4530 0.5831 0.6744 -20.422 8.115 -34.457 141 ASP A 64 ASP.? 166 GLY A 85 GLY.? 169 GLU A 38 GLU~? ULMNm 3 1hto_c00 GLUTAMINE SYNTHETASE user 11 3 RMSD = 1.45 A TRANSFORM 0.4602 0.7011 0.5446 -0.5934 -0.2134 0.7761 -0.6604 0.6803 -0.3178 30.141 60.515 163.321 A 50 ASP B 37 ASP~? A 327 GLU A 66 GLU.? A 339 ARG A 72 ARG^? ULMNm 3 1qol_c00 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 4 3 RMSD = 1.45 A TRANSFORM 0.9322 0.2943 0.2108 -0.2251 0.0153 0.9742 -0.2835 0.9556 -0.0805 -45.499 -1.714 -2.091 A 51 ALA A 51 ALA.? A 148 HIS A 25 HIS^? A 163 ASP A 53 ASP.? ULMNm 3 1qrz_c20 PLASMINOGEN user 2 3 RMSD = 1.46 A TRANSFORM -0.0537 0.8477 0.5278 0.8507 0.3156 -0.4203 0.5229 -0.4265 0.7381 -38.650 -23.573 8.979 A 603 HIS A 119 HIS~? A 646 ASP A 88 ASP~? A 739 GLY A 108 GLY.? ULMNm 3 1qol_c03 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 6 3 RMSD = 1.46 A TRANSFORM -0.8227 0.1686 0.5429 -0.0106 -0.9594 0.2819 -0.5684 -0.2262 -0.7910 4.268 -14.382 104.157 D 51 ALA B 23 ALA^? D 148 HIS B 25 HIS^? D 163 ASP B 52 ASP.? ULMNm 3 1b01_d00 GENE REGULATION/DNA user 4 3 RMSD = 1.47 A TRANSFORM -0.6488 0.2671 -0.7126 -0.3716 -0.9283 -0.0096 0.6641 -0.2586 -0.7015 99.526 52.800 86.985 B 4 ARG B 148 ARG.? B 6 THR B 6 THR^? B 8 THR B 4 THR.? ULMNm 3 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 21 3 RMSD = 1.47 A TRANSFORM 0.7513 -0.5462 -0.3704 -0.6329 -0.7554 -0.1696 0.1872 -0.3619 0.9132 39.541 137.583 -11.877 229 ASP B 64 ASP.? 264 GLU B 38 GLU~? 328 ASP B 83 ASP^? ULMNm 3 1qrz_c23 PLASMINOGEN user 2 3 RMSD = 1.47 A TRANSFORM -0.5563 0.6536 -0.5132 -0.8162 -0.3138 0.4852 -0.1561 -0.6888 -0.7080 -32.857 15.311 72.955 D 603 HIS A 119 HIS~? D 646 ASP A 88 ASP~? D 739 GLY A 108 GLY.? ULMNm 3 2c7v_c11 PTERIDINE REDUCTASE user 5 3 RMSD = 1.47 A TRANSFORM -0.3362 0.9408 -0.0428 0.9242 0.3209 -0.2069 0.1810 0.1091 0.9774 -22.999 -35.620 -24.643 D 14 ARG B 130 ARG^? D 161 ASP B 52 ASP.? D 174 TYR B 21 TYR^? ULMNm 3 1be1_c02 GLUTAMATE MUTASE user 8 3 RMSD = 1.47 A TRANSFORM 0.7961 -0.3105 0.5194 0.0458 0.8868 0.4599 0.6034 0.3424 -0.7202 -51.725 -43.060 -11.855 14 ASP B 53 ASP.? 16 HIS B 25 HIS^? 67 GLY B 60 GLY.? ULMNm 3 1amy_c01 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 54 3 RMSD = 1.48 A TRANSFORM -0.8656 0.4782 0.1487 -0.4997 -0.8444 -0.1931 -0.0332 0.2414 -0.9698 40.213 100.886 56.690 179 ASP B 166 ASP.? 214 ASP A 83 ASP^? 289 ASP B 153 ASP^? ULMNm 3 1pnl_c00 PENICILLIN AMIDOHYDROLASE user 2 3 RMSD = 1.48 A TRANSFORM 0.2461 0.8319 0.4974 0.9676 -0.1812 -0.1757 0.0561 -0.5245 0.8496 -31.863 7.337 30.582 B 1 SER A 99 SER~? B 69 ALA A 102 ALA^? B 241 ASN A 128 ASN.? ULMNm 3 1qol_c04 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 4 3 RMSD = 1.48 A TRANSFORM -0.1642 0.0063 0.9864 -0.8928 -0.4262 -0.1459 -0.4195 0.9046 -0.0756 -17.269 32.864 -65.831 E 51 ALA A 51 ALA.? E 148 HIS A 25 HIS^? E 163 ASP A 53 ASP.? ULMNm 3 1amy_c01 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 25 3 RMSD = 1.48 A TRANSFORM 0.9554 -0.0397 0.2927 0.2710 -0.2769 -0.9219 -0.1176 -0.9601 0.2538 -19.633 106.509 61.623 179 ASP A 166 ASP.? 214 ASP B 77 ASP.? 289 ASP A 153 ASP^? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 8 3 RMSD = 1.48 A TRANSFORM 0.0518 -0.6085 0.7918 0.9987 0.0338 -0.0393 0.0028 -0.7928 -0.6095 24.554 -45.274 37.465 A 67 ASP B 166 ASP.? A 68 ALA B 165 ALA^? A 72 LEU B 145 LEU.? ULMNm 3 1pnl_c00 PENICILLIN AMIDOHYDROLASE user 5 3 RMSD = 1.49 A TRANSFORM -0.3576 0.5354 -0.7652 -0.7946 0.2561 0.5505 -0.4907 -0.8049 -0.3338 56.964 33.086 83.786 B 1 SER B 99 SER~? B 69 ALA B 102 ALA^? B 241 ASN B 128 ASN.? ULMNm 3 1uok_c05 OLIGO-1,6-GLUCOSIDASE user 17 3 RMSD = 1.49 A TRANSFORM 0.0167 0.4838 0.8750 0.9904 -0.1281 0.0519 -0.1372 -0.8657 0.4813 -2.917 -13.198 10.182 199 ASP B 68 ASP.? 242 GLU B 11 GLU^? 329 ASP B 64 ASP.? ULMNm 3 1qol_c03 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 4 3 RMSD = 1.49 A TRANSFORM 0.9712 0.1545 -0.1815 -0.1226 -0.3295 -0.9362 0.2045 -0.9314 0.3010 -38.073 23.511 74.867 D 51 ALA A 51 ALA.? D 148 HIS A 25 HIS^? D 163 ASP A 53 ASP.? ULMNm 3 3uby_d00 HYDROLASE/DNA user 1 3 RMSD = 1.49 A TRANSFORM -0.5371 -0.4614 0.7062 0.4392 -0.8677 -0.2329 -0.7202 -0.1851 -0.6686 20.376 26.383 90.922 A 162 TYR A 21 TYR^? A 164 MET A 17 MET?? A 165 TYR A 22 TYR^? ULMNm 3 1m53_c06 ISOMALTULOSE SYNTHASE user 2 3 RMSD = 1.49 A TRANSFORM -0.7355 -0.4326 -0.5215 -0.4257 0.8938 -0.1409 -0.5271 -0.1184 0.8415 68.401 25.965 70.564 A 241 ASP A 16 ASP^? A 279 GLU A 56 GLU^? A 369 ASP A 158 ASP.? ULMNm 3 1dub_c15 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 1.49 A TRANSFORM -0.7946 -0.5199 0.3135 0.5856 -0.5198 0.6221 0.1605 -0.6779 -0.7175 105.612 70.460 165.625 D 141 GLY A 143 GLY~? D 144 GLU A 38 GLU~? D 164 GLU A 140 GLU~? ULMNm 3 1qol_c04 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 5 3 RMSD = 1.50 A TRANSFORM 0.1616 0.7559 -0.6344 0.6380 -0.5705 -0.5172 0.7529 0.3212 0.5744 9.200 -14.809 -97.849 E 51 ALA B 23 ALA^? E 148 HIS B 25 HIS^? E 163 ASP B 52 ASP.?