*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_CSA/ ULMNm 3 1a8h_02 METHIONYL-TRNA SYNTHETASE user 1 3 RMSD = 0.80 A MATRIX: 0.5469 -0.5517 -0.6297 -0.5388 0.3438 -0.7691 0.6408 0.7599 -0.1093 97.353 49.932 33.412 16 ALA A 85 ALA.? 19 HIS A 93 HIS.? 22 HIS A 95 HIS^? ULMNm 3 1a8h_02 METHIONYL-TRNA SYNTHETASE user 3 3 RMSD = 0.81 A MATRIX: -0.4347 0.6291 0.6444 -0.0316 -0.7258 0.6872 0.9000 0.2784 0.3353 12.894 19.968 28.630 16 ALA B 85 ALA.? 19 HIS B 93 HIS.? 22 HIS B 95 HIS^? ULMNm 3 1be1_02 GLUTAMATE MUTASE user 5 3 RMSD = 0.89 A MATRIX: -0.0625 0.5872 -0.8071 -0.6648 0.5786 0.4725 0.7444 0.5660 0.3542 16.908 -31.668 -36.431 14 ASP B 47 ASP.? 16 HIS B 91 HIS.? 67 GLY B 68 GLY~? ULMNm 3 1be1_02 GLUTAMATE MUTASE user 2 3 RMSD = 0.90 A MATRIX: 0.3593 -0.3849 0.8501 0.3893 -0.7661 -0.5114 0.8481 0.5147 -0.1255 -23.923 45.634 -15.631 14 ASP A 47 ASP.? 16 HIS A 91 HIS.? 67 GLY A 68 GLY~? ULMNm 3 1be1_02 GLUTAMATE MUTASE user 6 3 RMSD = 1.02 A MATRIX: -0.3883 0.5720 -0.7225 -0.6739 0.3584 0.6460 0.6285 0.7378 0.2463 16.452 -35.698 -33.540 14 ASP B 47 ASP.? 16 HIS B 91 HIS.? 67 GLY B 81 GLY^? ULMNm 3 1be1_02 GLUTAMATE MUTASE user 3 3 RMSD = 1.03 A MATRIX: 0.2483 -0.6728 0.6969 0.2147 -0.6633 -0.7169 0.9446 0.3276 -0.0202 -7.015 48.084 -11.505 14 ASP A 47 ASP.? 16 HIS A 91 HIS.? 67 GLY A 81 GLY^? ULMNm 3 1be1_02 GLUTAMATE MUTASE user 4 3 RMSD = 1.10 A MATRIX: -0.1690 0.2704 -0.9478 -0.8966 0.3571 0.2617 0.4092 0.8941 0.1821 28.188 -17.683 -31.407 14 ASP B 47 ASP.? 16 HIS B 91 HIS.? 67 GLY B 36 GLY.? ULMNm 3 1be1_02 GLUTAMATE MUTASE user 1 3 RMSD = 1.11 A MATRIX: 0.0057 -0.3871 0.9220 0.0600 -0.9202 -0.3867 0.9982 0.0575 0.0180 -29.888 44.050 -1.751 14 ASP A 47 ASP.? 16 HIS A 91 HIS.? 67 GLY A 36 GLY.? ULMNm 3 1e7l_01 RECOMBINATION ENDONUCLEASE VII user 2 3 RMSD = 1.17 A MATRIX: 0.4425 0.7277 -0.5240 0.2451 -0.6602 -0.7099 -0.8626 0.1857 -0.4705 25.399 56.863 42.472 B 41 HIS B 37 HIS.? B 43 HIS B 95 HIS^? B 65 GLU B 88 GLU.? ULMNm 3 1e7l_01 RECOMBINATION ENDONUCLEASE VII user 1 3 RMSD = 1.17 A MATRIX: 0.7089 0.0775 0.7010 -0.6747 0.3641 0.6421 -0.2055 -0.9281 0.3104 -6.912 -26.615 41.650 B 41 HIS A 37 HIS.? B 43 HIS A 95 HIS^? B 65 GLU A 88 GLU.? ULMNm 3 2tdt_00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 3 3 RMSD = 1.21 A MATRIX: -0.5534 0.3967 -0.7324 -0.3914 0.6522 0.6491 0.7352 0.6459 -0.2057 15.438 -33.231 2.353 141 ASP B 104 ASP~? 166 GLY A 81 GLY^? 169 GLU A 78 GLU.? ULMNm 3 1smn_00 EXTRACELLULAR ENDONUCLEASE user 1 3 RMSD = 1.22 A MATRIX: 0.6464 0.7612 -0.0531 0.6661 -0.5969 -0.4472 -0.3722 0.2537 -0.8928 5.949 39.050 104.566 A 87 ARG B 43 ARG.? A 89 HIS B 91 HIS.? A 119 ASN B 10 ASN~? ULMNm 3 1smn_01 EXTRACELLULAR ENDONUCLEASE user 2 3 RMSD = 1.22 A MATRIX: -0.6527 -0.7546 0.0676 0.6542 -0.6064 -0.4521 0.3821 -0.2508 0.8894 -8.033 39.326 -1.212 B 87 ARG B 43 ARG.? B 89 HIS B 91 HIS.? B 119 ASN B 10 ASN~? ULMNm 3 2tdt_00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 2 3 RMSD = 1.25 A MATRIX: 0.4898 0.2296 0.8410 -0.6749 -0.5108 0.5325 0.5518 -0.8285 -0.0953 -42.834 3.708 40.522 141 ASP A 23 ASP.? 166 GLY A 86 GLY.? 169 GLU B 78 GLU.? ULMNm 3 1qrz_21 PLASMINOGEN user 2 3 RMSD = 1.29 A MATRIX: 0.2603 0.2905 -0.9208 -0.9470 0.2629 -0.1848 0.1884 0.9200 0.3435 -24.626 0.114 -29.845 B 603 HIS B 37 HIS.? B 646 ASP B 111 ASP.? B 739 GLY B 15 GLY.? ULMNm 3 1qrz_22 PLASMINOGEN user 2 3 RMSD = 1.30 A MATRIX: -0.1260 -0.7732 -0.6215 0.9298 -0.3104 0.1977 -0.3458 -0.5530 0.7580 33.437 -6.035 -6.025 C 603 HIS B 37 HIS.? C 646 ASP B 111 ASP.? C 739 GLY B 15 GLY.? ULMNm 3 1smn_01 EXTRACELLULAR ENDONUCLEASE user 1 3 RMSD = 1.32 A MATRIX: -0.8896 -0.3502 -0.2933 -0.4568 0.6885 0.5633 0.0047 0.6351 -0.7724 -3.684 -37.597 40.361 B 87 ARG A 43 ARG.? B 89 HIS A 91 HIS.? B 119 ASN A 10 ASN~? ULMNm 3 1eo7_00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 1 3 RMSD = 1.33 A MATRIX: -0.1880 -0.7666 0.6140 0.4051 -0.6300 -0.6625 0.8947 0.1242 0.4290 37.889 66.292 -26.792 A 229 ALA B 55 ALA~? A 257 ALA B 56 ALA~? A 328 ASP B 23 ASP.? ULMNm 3 2tdt_00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 1 3 RMSD = 1.35 A MATRIX: 0.5870 0.6348 -0.5024 0.0517 -0.6487 -0.7593 -0.8079 0.4197 -0.4136 8.919 72.254 7.914 141 ASP A 21 ASP.? 166 GLY A 36 GLY.? 169 GLU A 121 GLU~? ULMNm 3 1qrz_21 PLASMINOGEN user 1 3 RMSD = 1.37 A MATRIX: 0.1946 -0.0132 0.9808 -0.1100 -0.9939 0.0085 0.9747 -0.1096 -0.1948 -93.772 27.257 20.539 B 603 HIS A 37 HIS.? B 646 ASP A 111 ASP.? B 739 GLY A 15 GLY.? ULMNm 3 1qrz_22 PLASMINOGEN user 1 3 RMSD = 1.38 A MATRIX: -0.8667 0.0693 0.4939 0.0627 0.9976 -0.0299 -0.4948 0.0051 -0.8690 -35.299 -33.186 44.915 C 603 HIS A 37 HIS.? C 646 ASP A 111 ASP.? C 739 GLY A 15 GLY.? ULMNm 3 1qrz_20 PLASMINOGEN user 1 3 RMSD = 1.42 A MATRIX: 0.2143 0.0375 0.9760 -0.0509 -0.9975 0.0495 0.9754 -0.0603 -0.2118 -66.992 26.109 58.354 A 603 HIS A 37 HIS.? A 646 ASP A 111 ASP.? A 739 GLY A 15 GLY.? ULMNm 2 1gpj_01 GLUTAMYL-TRNA REDUCTASE user 1 2 RMSD = 0.16 A MATRIX: -0.5925 0.7757 0.2174 0.7349 0.6310 -0.2486 -0.3300 0.0125 -0.9439 22.898 60.576 85.667 A 48 SER A 0 SER~? A 84 HIS A 95 HIS^? ULMNm 2 1qgx_00 3',5'-ADENOSINE BISPHOSPHATASE user 1 2 RMSD = 0.18 A MATRIX: 0.6774 -0.6955 0.2396 0.5530 0.2667 -0.7893 0.4851 0.6672 0.5653 34.687 45.672 -73.801 A 72 GLU A 45 GLU.? A 147 THR A 6 THR~? ULMNm 2 1gpj_01 GLUTAMYL-TRNA REDUCTASE user 6 2 RMSD = 0.22 A MATRIX: 0.5752 -0.7875 -0.2215 0.7472 0.3955 0.5341 -0.3330 -0.4727 0.8159 84.123 35.432 26.525 A 48 SER B 0 SER~? A 84 HIS B 95 HIS^? ULMNm 2 2amg_00 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 2 2 RMSD = 0.24 A MATRIX: -0.7925 -0.2708 0.5465 -0.0083 0.9007 0.4344 -0.6099 0.3397 -0.7160 -1.517 66.885 36.090 193 ASP A 104 ASP~? 218 GLY A 81 GLY^? ULMNm 2 1ima_01 INOSITOL MONOPHOSPHATASE (E.C.3.1.3.user 2 2 RMSD = 0.26 A MATRIX: -0.8634 -0.5044 0.0137 -0.3382 0.5987 0.7261 -0.3744 0.6223 -0.6875 0.514 -8.977 38.314 B 70 GLU A 45 GLU.? B 95 THR A 6 THR~? ULMNm 2 1ima_00 INOSITOL MONOPHOSPHATASE (E.C.3.1.3.user 2 2 RMSD = 0.28 A MATRIX: 0.8787 0.4732 -0.0636 -0.3399 0.7135 0.6126 0.3352 -0.5167 0.7878 -2.252 -6.532 -0.055 A 70 GLU A 45 GLU.? A 95 THR A 6 THR~? ULMNm 2 1tml_01 ENDO-1,4-BETA-D-GLUCANASE (E.C.3.2.1user 2 2 RMSD = 0.28 A MATRIX: -0.6600 0.6318 0.4065 -0.1648 -0.6496 0.7422 0.7330 0.4229 0.5328 -34.977 50.631 -57.013 117 ASP A 53 ASP~? 265 ASP A 23 ASP.? ULMNm 2 1hzd_14 AU-BINDING PROTEIN-ENOYL-COA HYDRATAuser 4 2 RMSD = 0.30 A MATRIX: 0.0078 -0.3923 -0.9198 0.6647 0.6892 -0.2884 0.7471 -0.6091 0.2661 61.510 -12.444 7.627 C 189 GLU B 88 GLU.? C 209 GLU B 31 GLU.? ULMNm 2 2phk_00 MC-PEPTIDE user 4 2 RMSD = 0.30 A MATRIX: -0.7447 -0.3322 -0.5789 0.4518 0.3876 -0.8036 0.4912 -0.8599 -0.1386 71.467 28.720 82.866 A 149 ASP A 51 ASP~? A 153 GLU B 78 GLU.? ULMNm 2 1chk_01 CHITOSANASE user 2 2 RMSD = 0.32 A MATRIX: -0.6499 -0.0626 -0.7574 0.3189 0.8822 -0.3466 0.6899 -0.4668 -0.5534 86.812 27.148 66.238 A 22 GLU A 78 GLU.? A 40 ASP A 104 ASP~? ULMNm 2 1tml_01 ENDO-1,4-BETA-D-GLUCANASE (E.C.3.2.1user 6 2 RMSD = 0.32 A MATRIX: 0.4794 -0.7708 -0.4195 -0.5105 0.1439 -0.8478 0.7139 0.6206 -0.3245 36.980 93.639 -26.571 117 ASP B 53 ASP~? 265 ASP B 23 ASP.? ULMNm 2 1cs1_04 CYSTATHIONINE GAMMA-SYNTHASE user 10 2 RMSD = 0.32 A MATRIX: 0.8398 -0.3272 0.4332 -0.4672 -0.8420 0.2697 0.2765 -0.4288 -0.8600 3.639 22.949 62.625 A 87 PHE B 17 PHE^? A 173 ASP B 23 ASP.? ULMNm 2 1hzd_16 AU-BINDING PROTEIN-ENOYL-COA HYDRATAuser 4 2 RMSD = 0.33 A MATRIX: 0.5783 0.0283 -0.8153 -0.4676 -0.8074 -0.3598 -0.6685 0.5893 -0.4537 38.363 39.226 40.339 E 189 GLU B 88 GLU.? E 209 GLU B 31 GLU.? ULMNm 2 1chk_01 CHITOSANASE user 7 2 RMSD = 0.34 A MATRIX: -0.4959 0.3787 0.7815 0.8684 0.2187 0.4451 -0.0023 0.8993 -0.4373 27.195 16.034 25.075 A 22 GLU B 117 GLU~? A 40 ASP B 111 ASP.? ULMNm 2 1cs1_04 CYSTATHIONINE GAMMA-SYNTHASE user 2 2 RMSD = 0.35 A MATRIX: 0.0266 0.9379 -0.3460 -0.8523 -0.1596 -0.4981 -0.5224 0.3081 0.7951 1.119 37.228 -25.228 A 87 PHE A 17 PHE^? A 173 ASP A 23 ASP.? ULMNm 2 1hzd_14 AU-BINDING PROTEIN-ENOYL-COA HYDRATAuser 2 2 RMSD = 0.37 A MATRIX: -0.5215 0.0838 0.8491 0.8197 0.3256 0.4713 -0.2369 0.9418 -0.2385 -23.541 -33.252 -14.408 C 189 GLU A 88 GLU.? C 209 GLU A 31 GLU.? ULMNm 2 1cs1_07 CYSTATHIONINE GAMMA-SYNTHASE user 9 2 RMSD = 0.37 A MATRIX: -0.6803 0.2861 -0.6748 0.1513 0.9556 0.2527 0.7171 0.0699 -0.6934 99.571 -29.103 31.421 D 87 PHE B 17 PHE^? D 173 ASP B 23 ASP.? ULMNm 2 1xqd_01 CYTOCHROME P450 55A1 user 2 2 RMSD = 0.37 A MATRIX: 0.3526 -0.8449 0.4022 -0.3760 0.2656 0.8877 -0.8569 -0.4643 -0.2240 7.929 -22.121 26.147 A 286 SER A 101 SER~? A 393 ASP A 104 ASP~? ULMNm 2 1hzd_13 AU-BINDING PROTEIN-ENOYL-COA HYDRATAuser 4 2 RMSD = 0.38 A MATRIX: 0.6339 -0.4629 0.6195 0.2825 0.8843 0.3717 -0.7199 -0.0606 0.6914 -15.515 -37.617 4.286 B 189 GLU B 88 GLU.? B 209 GLU B 31 GLU.? ULMNm 2 1abr_00 ABRIN-A COMPLEXED WITH TWO SUGAR CHAuser 1 2 RMSD = 0.38 A MATRIX: 0.6313 -0.2804 -0.7231 -0.7755 -0.2338 -0.5864 -0.0046 0.9310 -0.3651 102.434 41.550 43.649 A 164 GLU A 78 GLU.? A 167 ARG A 79 ARG^? ULMNm 2 1cs1_05 CYSTATHIONINE GAMMA-SYNTHASE user 10 2 RMSD = 0.38 A MATRIX: -0.8327 0.2571 -0.4905 -0.1734 -0.9622 -0.2100 -0.5260 -0.0898 0.8458 100.370 27.310 30.436 B 87 PHE B 17 PHE^? B 173 ASP B 23 ASP.? ULMNm 2 1hzd_14 AU-BINDING PROTEIN-ENOYL-COA HYDRATAuser 3 2 RMSD = 0.38 A MATRIX: 0.4976 0.2788 0.8214 0.3763 -0.9226 0.0852 0.7816 0.2667 -0.5640 -4.172 -10.315 27.892 C 189 GLU B 31 GLU.? C 209 GLU B 88 GLU.? ULMNm 2 1lz1_00 LYSOZYME (E.C.3.2.1.17) user 7 2 RMSD = 0.38 A MATRIX: -0.2488 0.1819 -0.9513 -0.9578 -0.1925 0.2136 -0.1442 0.9643 0.2221 39.281 23.243 0.220 35 GLU B 20 GLU^? 53 ASP B 22 ASP.? ULMNm 2 1hzd_13 AU-BINDING PROTEIN-ENOYL-COA HYDRATAuser 3 2 RMSD = 0.39 A MATRIX: 0.4985 0.2120 -0.8406 -0.2567 -0.8901 -0.3767 -0.8280 0.4036 -0.3893 28.118 4.363 36.909 B 189 GLU B 31 GLU.? B 209 GLU B 88 GLU.? ULMNm 2 1bu7_01 CYTOCHROME P450 user 5 2 RMSD = 0.40 A MATRIX: 0.2826 0.6328 -0.7209 0.9157 -0.4017 0.0063 -0.2856 -0.6620 -0.6930 38.058 136.909 86.748 B 267 GLU B 78 GLU.? B 268 THR B 77 THR.? ULMNm 2 1lz1_00 LYSOZYME (E.C.3.2.1.17) user 2 2 RMSD = 0.40 A MATRIX: -0.0890 -0.4239 0.9013 -0.4373 -0.7964 -0.4178 0.8949 -0.4313 -0.1145 -19.910 66.177 51.983 35 GLU A 20 GLU^? 53 ASP A 22 ASP.? ULMNm 2 1cs1_07 CYSTATHIONINE GAMMA-SYNTHASE user 2 2 RMSD = 0.40 A MATRIX: -0.0766 -0.7977 0.5982 0.9918 -0.1227 -0.0366 0.1026 0.5905 0.8005 76.777 10.960 -44.763 D 87 PHE A 17 PHE^? D 173 ASP A 23 ASP.? ULMNm 2 1bvz_01 ALPHA-AMYLASE II user 9 2 RMSD = 0.41 A MATRIX: -0.3295 0.6463 0.6883 0.8433 0.5293 -0.0932 -0.4245 0.5497 -0.7195 -21.168 12.342 73.615 B 325 ASP A 104 ASP~? B 350 LEU A 28 LEU^? ULMNm 2 1kny_00 KANAMYCIN NUCLEOTIDYLTRANSFERASE user 2 2 RMSD = 0.41 A MATRIX: 0.7599 0.1460 -0.6334 -0.4258 -0.6244 -0.6548 -0.4911 0.7673 -0.4123 48.265 65.158 17.378 A 145 GLU B 121 GLU~? A 149 LYS B 125 LYS~? ULMNm 2 132l_00 LYSOZYME user 1 2 RMSD = 0.41 A MATRIX: 0.2206 -0.7589 0.6128 0.5616 -0.4148 -0.7159 0.7975 0.5020 0.3347 -2.004 69.636 21.799 A 35 GLU A 20 GLU^? A 52 ASP A 22 ASP.? ULMNm 2 1hzd_16 AU-BINDING PROTEIN-ENOYL-COA HYDRATAuser 3 2 RMSD = 0.41 A MATRIX: 0.7701 -0.3214 0.5511 0.0591 0.8960 0.4400 -0.6352 -0.3063 0.7090 -5.066 -3.884 8.927 E 189 GLU B 31 GLU.? E 209 GLU B 88 GLU.? ULMNm 2 132l_00 LYSOZYME user 5 2 RMSD = 0.41 A MATRIX: -0.5176 0.5451 -0.6595 -0.3484 0.5697 0.7444 0.7815 0.6151 -0.1049 14.235 -17.112 37.263 A 35 GLU B 20 GLU^? A 52 ASP B 22 ASP.? ULMNm 2 1hzd_12 AU-BINDING PROTEIN-ENOYL-COA HYDRATAuser 4 2 RMSD = 0.41 A MATRIX: -0.9130 0.0831 0.3994 -0.0673 0.9349 -0.3484 -0.4024 -0.3449 -0.8480 11.492 -0.437 70.344 A 189 GLU B 88 GLU.? A 209 GLU B 31 GLU.? ULMNm 2 1cs1_05 CYSTATHIONINE GAMMA-SYNTHASE user 2 2 RMSD = 0.41 A MATRIX: -0.1034 -0.9155 0.3887 -0.9941 0.1085 -0.0090 -0.0339 -0.3874 -0.9213 96.338 -8.899 111.680 B 87 PHE A 17 PHE^? B 173 ASP A 23 ASP.? ULMNm 2 2amg_03 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 2 2 RMSD = 0.41 A MATRIX: 0.7834 0.0565 0.6189 0.0184 -0.9975 0.0677 0.6212 -0.0417 -0.7825 -9.016 144.150 56.642 193 ASP A 22 ASP.? 219 GLU A 20 GLU^? ULMNm 2 1pbg_02 6-PHOSPHO-BETA-D-GALACTOSIDASE user 4 2 RMSD = 0.41 A MATRIX: -0.7824 0.0513 0.6206 0.5690 -0.3461 0.7460 0.2530 0.9368 0.2416 50.161 7.565 11.012 A 160 GLU B 121 GLU~? A 375 GLU B 117 GLU~? ULMNm 2 1hzd_16 AU-BINDING PROTEIN-ENOYL-COA HYDRATAuser 2 2 RMSD = 0.41 A MATRIX: 0.0891 0.4570 0.8850 -0.9728 -0.1510 0.1759 0.2140 -0.8766 0.4311 -42.519 -0.677 44.586 E 189 GLU A 88 GLU.? E 209 GLU A 31 GLU.? ULMNm 2 135l_00 LYSOZYME user 5 2 RMSD = 0.42 A MATRIX: -0.8173 -0.2928 0.4963 0.5462 -0.1190 0.8292 -0.1837 0.9487 0.2572 16.502 -15.392 4.160 35 GLU B 20 GLU^? 52 ASP B 22 ASP.? ULMNm 2 1hzd_12 AU-BINDING PROTEIN-ENOYL-COA HYDRATAuser 3 2 RMSD = 0.42 A MATRIX: -0.9406 0.3372 -0.0392 -0.3212 -0.8468 0.4239 0.1098 0.4113 0.9048 24.131 -10.381 3.482 A 189 GLU B 31 GLU.? A 209 GLU B 88 GLU.? ULMNm 2 1pbg_03 6-PHOSPHO-BETA-D-GALACTOSIDASE user 5 2 RMSD = 0.42 A MATRIX: -0.8164 0.0675 0.5735 -0.5592 -0.3405 -0.7559 0.1442 -0.9378 0.3157 10.167 33.718 100.360 B 160 GLU B 121 GLU~? B 375 GLU B 117 GLU~? ULMNm 2 1mvn_00 PPC DECARBOXYLASE ATHAL3A user 2 2 RMSD = 0.42 A MATRIX: -0.6258 0.5381 0.5646 0.5265 0.8255 -0.2032 -0.5754 0.1701 -0.8000 16.212 15.710 16.198 A 90 HIS B 91 HIS.? A 175 SER A 118 SER~? ULMNm 2 1hzd_17 AU-BINDING PROTEIN-ENOYL-COA HYDRATAuser 3 2 RMSD = 0.42 A MATRIX: -0.8855 -0.1928 0.4228 -0.3387 0.8907 -0.3033 -0.3181 -0.4118 -0.8540 10.637 14.450 37.141 F 189 GLU B 31 GLU.? F 209 GLU B 88 GLU.? ULMNm 2 1ca3_01 CARBONIC ANHYDRASE II (CARBONATE DEHuser 8 2 RMSD = 0.42 A MATRIX: 0.7011 -0.6347 -0.3251 -0.5230 -0.7676 0.3706 -0.4848 -0.0898 -0.8700 25.574 -0.605 40.428 A 64 HIS B 95 HIS^? A 199 THR B 34 THR.? ULMNm 2 2amg_00 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 4 2 RMSD = 0.42 A MATRIX: -0.4309 -0.5609 -0.7069 0.9013 -0.3062 -0.3065 -0.0445 -0.7692 0.6375 57.604 130.322 11.646 193 ASP B 104 ASP~? 218 GLY B 81 GLY^? ULMNm 2 1bqc_02 BETA-MANNANASE user 4 2 RMSD = 0.42 A MATRIX: 0.4725 -0.2500 -0.8451 -0.7622 0.3654 -0.5343 0.4424 0.8966 -0.0179 56.735 22.486 5.297 A 128 GLU B 121 GLU~? A 225 GLU B 117 GLU~? ULMNm 2 1nir_00 NITRITE REDUCTASE user 3 2 RMSD = 0.42 A MATRIX: -0.1564 -0.0239 0.9874 -0.5487 -0.8291 -0.1070 0.8213 -0.5585 0.1166 -10.018 35.237 9.731 A 327 HIS B 93 HIS.? A 369 HIS B 95 HIS^? ULMNm 2 1odt_02 CEPHALOSPORIN C DEACETYLASE user 3 2 RMSD = 0.42 A MATRIX: -0.7676 -0.1576 0.6213 0.0984 -0.9868 -0.1288 0.6334 -0.0377 0.7729 -5.133 100.581 15.999 C 166 SER A 115 SER~? C 298 HIS B 93 HIS.? ULMNm 2 1s2k_00 ALA-ILE-HIS TRIPEPTIDE user 1 2 RMSD = 0.42 A MATRIX: -0.4508 0.5636 0.6922 0.3612 0.8243 -0.4359 -0.8163 0.0535 -0.5752 51.902 35.437 22.177 A 53 GLN B 35 GLN.? A 136 GLU B 117 GLU~? ULMNm 2 1dup_00 DEOXYURIDINE 5'-TRIPHOSPHATE NUCLEOTuser 7 2 RMSD = 0.43 A MATRIX: -0.4111 -0.4163 -0.8110 0.8634 -0.4633 -0.1998 -0.2926 -0.7823 0.5499 35.131 40.050 47.471 A 90 ASP B 22 ASP.? A 92 ASP B 23 ASP.? ULMNm 2 135l_00 LYSOZYME user 1 2 RMSD = 0.43 A MATRIX: -0.4344 -0.5916 -0.6792 0.2169 0.6631 -0.7164 0.8742 -0.4585 -0.1598 73.299 26.210 59.587 35 GLU A 20 GLU^? 52 ASP A 22 ASP.? ULMNm 2 1cs1_04 CYSTATHIONINE GAMMA-SYNTHASE user 9 2 RMSD = 0.43 A MATRIX: 0.9253 -0.3613 0.1150 -0.3659 -0.7712 0.5210 -0.0996 -0.5241 -0.8458 11.884 14.064 67.439 A 87 PHE B 17 PHE^? A 173 ASP B 22 ASP.? ULMNm 2 1xqd_01 CYTOCHROME P450 55A1 user 5 2 RMSD = 0.43 A MATRIX: -0.5937 0.6658 -0.4520 0.3825 -0.2607 -0.8864 -0.7080 -0.6991 -0.0999 0.558 66.574 27.345 A 286 SER B 101 SER~? A 393 ASP B 104 ASP~? ULMNm 2 1nir_00 NITRITE REDUCTASE user 1 2 RMSD = 0.43 A MATRIX: 0.1244 -0.0169 -0.9921 -0.9736 -0.1948 -0.1187 -0.1913 0.9807 -0.0406 70.650 18.341 -26.193 A 327 HIS A 93 HIS.? A 369 HIS A 95 HIS^? ULMNm 2 1bvz_00 ALPHA-AMYLASE II user 11 2 RMSD = 0.44 A MATRIX: 0.6581 -0.5643 0.4985 -0.7073 -0.2364 0.6662 -0.2581 -0.7910 -0.5548 24.254 15.021 100.649 A 325 ASP A 104 ASP~? A 350 LEU B 102 LEU~? ULMNm 2 1bvz_00 ALPHA-AMYLASE II user 21 2 RMSD = 0.44 A MATRIX: -0.2083 0.8851 -0.4163 -0.2855 -0.4621 -0.8396 -0.9355 -0.0560 0.3489 21.451 83.289 42.829 A 325 ASP B 104 ASP~? A 350 LEU A 102 LEU~? ULMNm 2 1hka_00 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYuser 1 2 RMSD = 0.44 A MATRIX: -0.1360 0.6143 -0.7773 0.5477 -0.6071 -0.5756 -0.8255 -0.5040 -0.2539 -8.618 78.318 71.359 82 ARG A 11 ARG.? 92 ARG A 43 ARG.? ULMNm 2 1odt_03 CEPHALOSPORIN C DEACETYLASE user 3 2 RMSD = 0.45 A MATRIX: -0.7479 -0.2880 0.5981 -0.1942 0.9565 0.2178 -0.6348 0.0467 -0.7713 -3.705 80.033 94.007 H 166 SER A 115 SER~? H 298 HIS B 93 HIS.? ULMNm 2 1bvz_01 ALPHA-AMYLASE II user 25 2 RMSD = 0.45 A MATRIX: 0.5953 -0.4833 -0.6419 0.7778 0.5470 0.3095 0.2015 -0.6835 0.7015 63.981 -4.797 49.632 B 325 ASP B 104 ASP~? B 350 LEU B 28 LEU^? ULMNm 2 1hzd_17 AU-BINDING PROTEIN-ENOYL-COA HYDRATAuser 4 2 RMSD = 0.45 A MATRIX: -0.8162 0.5706 -0.0908 -0.5392 -0.6958 0.4745 0.2075 0.4362 0.8756 21.122 2.553 -29.785 F 189 GLU B 88 GLU.? F 209 GLU B 31 GLU.? ULMNm 2 1hzd_14 AU-BINDING PROTEIN-ENOYL-COA HYDRATAuser 1 2 RMSD = 0.45 A MATRIX: 0.5864 0.4143 -0.6961 -0.6842 0.7133 -0.1519 0.4336 0.5653 0.7017 53.946 -45.520 -31.558 C 189 GLU A 31 GLU.? C 209 GLU A 88 GLU.? ULMNm 2 1nir_00 NITRITE REDUCTASE user 4 2 RMSD = 0.45 A MATRIX: -0.2135 -0.6192 -0.7556 -0.3221 -0.6856 0.6529 -0.9223 0.3828 -0.0531 64.693 4.631 0.083 A 327 HIS B 95 HIS^? A 369 HIS B 93 HIS.? ULMNm 2 2bmi_00 CLASS B BETA-LACTAMASE user 2 2 RMSD = 0.46 A MATRIX: 0.1596 0.3182 -0.9345 -0.2290 0.9327 0.2785 0.9603 0.1695 0.2218 38.045 -6.307 -5.903 A 86 ASP B 53 ASP~? A 176 ASN B 58 ASN~? ULMNm 2 1ca3_01 CARBONIC ANHYDRASE II (CARBONATE DEHuser 4 2 RMSD = 0.46 A MATRIX: -0.3958 0.8383 0.3751 -0.8143 -0.1314 -0.5654 -0.4247 -0.5292 0.7346 -43.627 20.135 -12.817 A 64 HIS A 95 HIS^? A 199 THR A 34 THR.? ULMNm 2 1cs1_06 CYSTATHIONINE GAMMA-SYNTHASE user 9 2 RMSD = 0.46 A MATRIX: 0.7433 -0.1761 0.6454 0.4364 0.8589 -0.2682 -0.5071 0.4810 0.7152 -1.736 -22.229 28.243 C 87 PHE B 17 PHE^? C 173 ASP B 23 ASP.? ULMNm 2 4mdh_01 CYTOPLASMIC MALATE DEHYDROGENASE (E.user 2 2 RMSD = 0.46 A MATRIX: -0.8964 0.2847 -0.3396 -0.4405 -0.6560 0.6129 -0.0483 0.6990 0.7135 46.550 -5.514 -17.144 B 158 ASP A 104 ASP~? B 185 ASN A 109 ASN.? ULMNm 2 1hzd_15 AU-BINDING PROTEIN-ENOYL-COA HYDRATAuser 3 2 RMSD = 0.46 A MATRIX: 0.0519 -0.3564 -0.9329 0.4901 0.8230 -0.2872 0.8701 -0.4423 0.2173 30.108 7.345 6.168 D 189 GLU B 31 GLU.? D 209 GLU B 88 GLU.? ULMNm 2 1dup_00 DEOXYURIDINE 5'-TRIPHOSPHATE NUCLEOTuser 3 2 RMSD = 0.46 A MATRIX: -0.7016 -0.3524 0.6193 -0.1965 0.9311 0.3072 -0.6849 0.0939 -0.7226 -24.427 -19.228 75.736 A 90 ASP A 22 ASP.? A 92 ASP A 23 ASP.? ULMNm 2 1cs1_07 CYSTATHIONINE GAMMA-SYNTHASE user 10 2 RMSD = 0.46 A MATRIX: -0.5988 0.2110 -0.7726 0.4775 0.8686 -0.1328 0.6430 -0.4484 -0.6209 103.425 -18.127 42.915 D 87 PHE B 27 PHE^? D 173 ASP B 23 ASP.? ULMNm 2 1nid_00 NITRITE REDUCTASE user 2 2 RMSD = 0.46 A MATRIX: 0.1490 -0.4593 0.8757 -0.9343 0.2247 0.2769 -0.3240 -0.8594 -0.3956 -1.995 -33.552 36.727 A 64 PHE A 97 PHE^? A 66 GLY A 36 GLY.? ULMNm 2 1nir_00 NITRITE REDUCTASE user 2 2 RMSD = 0.47 A MATRIX: -0.7952 -0.0460 0.6046 -0.6063 0.0471 -0.7938 0.0080 -0.9978 -0.0654 -6.588 43.620 38.582 A 327 HIS A 95 HIS^? A 369 HIS A 93 HIS.? ULMNm 2 1cs1_04 CYSTATHIONINE GAMMA-SYNTHASE user 11 2 RMSD = 0.47 A MATRIX: 0.7186 -0.3939 0.5732 -0.6936 -0.4657 0.5495 0.0505 -0.7925 -0.6078 2.414 7.023 66.080 A 87 PHE B 27 PHE^? A 173 ASP B 23 ASP.? ULMNm 2 1nid_00 NITRITE REDUCTASE user 5 2 RMSD = 0.47 A MATRIX: -0.2365 0.3806 -0.8940 -0.0170 -0.9216 -0.3879 -0.9715 -0.0766 0.2244 46.420 25.651 -10.276 A 64 PHE B 97 PHE^? A 66 GLY B 36 GLY.? ULMNm 2 1odt_02 CEPHALOSPORIN C DEACETYLASE user 7 2 RMSD = 0.47 A MATRIX: -0.2796 -0.5361 -0.7965 -0.8568 0.5136 -0.0450 0.4332 0.6699 -0.6029 63.070 56.053 53.599 C 166 SER B 115 SER~? C 298 HIS A 93 HIS.? ULMNm 2 1hzd_13 AU-BINDING PROTEIN-ENOYL-COA HYDRATAuser 2 2 RMSD = 0.48 A MATRIX: -0.0784 0.8111 -0.5797 0.9776 -0.0514 -0.2042 -0.1954 -0.5827 -0.7889 -1.656 11.585 78.711 B 189 GLU A 88 GLU.? B 209 GLU A 31 GLU.? ULMNm 2 1tml_01 ENDO-1,4-BETA-D-GLUCANASE (E.C.3.2.1user 5 2 RMSD = 0.48 A MATRIX: -0.7585 0.5205 0.3920 -0.0016 -0.6031 0.7977 0.6516 0.6044 0.4583 -11.046 36.444 -57.834 117 ASP B 23 ASP.? 265 ASP B 53 ASP~? ULMNm 2 1cz1_01 EXO-B-(1,3)-GLUCANASE user 5 2 RMSD = 0.48 A MATRIX: -0.3506 -0.5331 -0.7700 -0.3469 0.8376 -0.4220 0.8699 0.1192 -0.4786 51.321 24.273 67.582 A 192 GLU B 121 GLU~? A 292 GLU B 117 GLU~? ULMNm 2 1cs1_05 CYSTATHIONINE GAMMA-SYNTHASE user 11 2 RMSD = 0.48 A MATRIX: -0.7346 0.3077 -0.6047 -0.4993 -0.8486 0.1748 -0.4594 0.4304 0.7770 101.419 15.702 18.941 B 87 PHE B 27 PHE^? B 173 ASP B 23 ASP.? ULMNm 2 1hzd_15 AU-BINDING PROTEIN-ENOYL-COA HYDRATAuser 4 2 RMSD = 0.48 A MATRIX: 0.5280 0.2123 0.8222 0.1308 -0.9770 0.1683 0.8391 0.0187 -0.5437 -35.075 8.213 27.970 D 189 GLU B 88 GLU.? D 209 GLU B 31 GLU.? ULMNm 2 1a4g_00 NEURAMINIDASE user 3 2 RMSD = 0.49 A MATRIX: 0.6163 0.7489 0.2436 0.7412 -0.4472 -0.5006 -0.2660 0.4891 -0.8307 -34.020 91.145 -3.835 A 148 ASP A 51 ASP~? A 275 GLU B 78 GLU.? ULMNm 2 1cs1_06 CYSTATHIONINE GAMMA-SYNTHASE user 2 2 RMSD = 0.49 A MATRIX: 0.1899 0.8214 -0.5378 0.8599 0.1251 0.4949 0.4738 -0.5564 -0.6826 19.531 -34.910 113.770 C 87 PHE A 17 PHE^? C 173 ASP A 23 ASP.? ULMNm 2 1cs1_07 CYSTATHIONINE GAMMA-SYNTHASE user 8 2 RMSD = 0.49 A MATRIX: -0.8740 0.2857 -0.3929 0.2834 0.9568 0.0653 0.3946 -0.0543 -0.9172 93.912 -25.368 42.571 D 87 PHE B 17 PHE^? D 173 ASP B 22 ASP.? ULMNm 2 1hzd_13 AU-BINDING PROTEIN-ENOYL-COA HYDRATAuser 1 2 RMSD = 0.49 A MATRIX: 0.2268 0.3071 0.9243 -0.9739 0.0792 0.2126 -0.0080 -0.9484 0.3170 -46.155 -46.304 45.163 B 189 GLU A 31 GLU.? B 209 GLU A 88 GLU.? ULMNm 2 2eql_00 LYSOZYME (APO FORM) user 1 2 RMSD = 0.49 A MATRIX: 0.2692 -0.5974 -0.7554 -0.1047 0.7616 -0.6395 0.9574 0.2513 0.1425 90.504 2.544 5.409 35 GLU A 20 GLU^? 53 ASP A 22 ASP.? ULMNm 2 1mvn_00 PPC DECARBOXYLASE ATHAL3A user 1 2 RMSD = 0.49 A MATRIX: 0.3772 -0.7229 -0.5790 0.8826 0.0910 0.4613 -0.2808 -0.6849 0.6723 97.697 9.172 -20.992 A 90 HIS A 91 HIS.? A 175 SER B 118 SER~? ULMNm 2 1hzd_16 AU-BINDING PROTEIN-ENOYL-COA HYDRATAuser 1 2 RMSD = 0.49 A MATRIX: 0.0936 0.8769 -0.4714 0.9163 -0.2611 -0.3037 -0.3894 -0.4035 -0.8280 3.801 58.165 73.911 E 189 GLU A 31 GLU.? E 209 GLU A 88 GLU.? ULMNm 2 1xgm_01 METHIONINE AMINOPEPTIDASE user 3 2 RMSD = 0.49 A MATRIX: -0.6385 -0.1996 0.7433 0.6116 0.4546 0.6475 -0.4671 0.8681 -0.1682 -21.654 2.790 4.426 B 165 SER A 80 SER^? B 187 GLU A 78 GLU.? ULMNm 2 1hka_00 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYuser 3 2 RMSD = 0.50 A MATRIX: 0.2169 -0.3456 0.9130 -0.7196 0.5754 0.3887 -0.6597 -0.7413 -0.1239 -46.779 7.799 68.000 82 ARG B 11 ARG.? 92 ARG B 43 ARG.? ULMNm 2 1xgm_00 METHIONINE AMINOPEPTIDASE user 3 2 RMSD = 0.50 A MATRIX: 0.3655 0.1483 -0.9189 0.9194 -0.2116 0.3316 -0.1453 -0.9660 -0.2137 51.493 35.224 53.603 A 165 SER A 80 SER^? A 187 GLU A 78 GLU.? ULMNm 2 1trk_07 TRANSKETOLASE (E.C.2.2.1.1) user 5 2 RMSD = 0.50 A MATRIX: -0.9387 0.0447 0.3418 -0.2641 -0.7306 -0.6296 0.2216 -0.6813 0.6977 -24.636 86.906 4.453 A 30 HIS B 95 HIS^? A 263 HIS B 37 HIS.? ULMNm 2 1nir_01 NITRITE REDUCTASE user 3 2 RMSD = 0.50 A MATRIX: -0.1367 -0.0236 0.9903 0.5659 0.8187 0.0976 -0.8131 0.5738 -0.0986 -9.865 -12.253 45.883 B 327 HIS B 93 HIS.? B 369 HIS B 95 HIS^? ULMNm 2 1hzd_12 AU-BINDING PROTEIN-ENOYL-COA HYDRATAuser 2 2 RMSD = 0.50 A MATRIX: -0.1885 -0.8387 -0.5109 0.7658 -0.4512 0.4581 -0.6148 -0.3049 0.7274 73.677 4.864 5.100 A 189 GLU A 88 GLU.? A 209 GLU A 31 GLU.? ULMNm 2 1inp_00 INOSITOL POLYPHOSPHATE 1-PHOSPHATASEuser 4 2 RMSD = 0.50 A MATRIX: 0.1617 0.3210 -0.9332 0.9799 -0.1641 0.1133 -0.1168 -0.9327 -0.3411 15.145 12.191 70.520 133 ASP A 111 ASP.? 158 THR B 38 THR^? ULMNm 2 1trk_06 TRANSKETOLASE (E.C.2.2.1.1) user 5 2 RMSD = 0.50 A MATRIX: 0.6238 0.3938 -0.6751 0.2592 0.7106 0.6541 0.7374 -0.5830 0.3412 40.778 44.934 27.375 B 30 HIS B 95 HIS^? B 263 HIS B 37 HIS.? ULMNm 2 1v04_00 SERUM PARAOXONASE/ARYLESTERASE 1 user 4 2 RMSD = 0.50 A MATRIX: 0.3039 0.2159 0.9279 0.7876 0.4910 -0.3722 -0.5360 0.8440 -0.0208 -30.831 31.116 16.591 A 115 HIS B 93 HIS.? A 134 HIS B 95 HIS^? ULMNm 2 2eql_00 LYSOZYME (APO FORM) user 6 2 RMSD = 0.50 A MATRIX: -0.6165 0.3519 0.7043 0.5540 -0.4418 0.7056 0.5595 0.8252 0.0774 4.540 -19.463 -7.098 35 GLU B 20 GLU^? 53 ASP B 22 ASP.? ULMNm 2 1cs1_07 CYSTATHIONINE GAMMA-SYNTHASE user 3 2 RMSD = 0.50 A MATRIX: -0.1588 -0.7307 0.6639 0.9260 0.1230 0.3568 -0.3424 0.6715 0.6572 70.590 -18.208 -40.240 D 87 PHE A 27 PHE^? D 173 ASP A 23 ASP.? ULMNm 2 1v04_00 SERUM PARAOXONASE/ARYLESTERASE 1 user 1 2 RMSD = 0.50 A MATRIX: 0.4957 0.3039 -0.8136 0.6528 0.4874 0.5798 0.5728 -0.8186 0.0433 37.863 -7.735 59.678 A 115 HIS A 93 HIS.? A 134 HIS A 95 HIS^? ULMNm 2 1bgl_00 BETA-GALACTOSIDASE user 1 2 RMSD = 0.50 A MATRIX: -0.1776 0.0921 0.9798 0.2657 -0.9541 0.1378 0.9475 0.2848 0.1450 -27.801 172.481 14.392 A 461 GLU A 31 GLU.? A 537 GLU A 88 GLU.? ULMNm 2 1cs1_05 CYSTATHIONINE GAMMA-SYNTHASE user 9 2 RMSD = 0.50 A MATRIX: -0.9462 0.2843 -0.1544 -0.2844 -0.9585 -0.0224 -0.1543 0.0227 0.9878 92.025 23.283 21.186 B 87 PHE B 17 PHE^? B 173 ASP B 22 ASP.? ULMNm 2 1hzd_12 AU-BINDING PROTEIN-ENOYL-COA HYDRATAuser 1 2 RMSD = 0.50 A MATRIX: -0.0464 -0.9976 -0.0511 -0.8149 0.0674 -0.5757 0.5778 0.0149 -0.8161 61.111 5.067 84.385 A 189 GLU A 31 GLU.? A 209 GLU A 88 GLU.? ULMNm 2 1bvz_00 ALPHA-AMYLASE II user 8 2 RMSD = 0.50 A MATRIX: 0.3074 -0.6728 -0.6729 -0.5414 -0.7052 0.4578 -0.7826 0.2236 -0.5810 77.755 34.297 79.674 A 325 ASP A 104 ASP~? A 350 LEU A 28 LEU^? ULMNm 2 1hzd_17 AU-BINDING PROTEIN-ENOYL-COA HYDRATAuser 1 2 RMSD = 0.50 A MATRIX: -0.4240 -0.7065 -0.5666 0.6350 -0.6780 0.3702 -0.6457 -0.2029 0.7361 64.859 30.144 -33.327 F 189 GLU A 31 GLU.? F 209 GLU A 88 GLU.? ULMNm 2 1cs1_06 CYSTATHIONINE GAMMA-SYNTHASE user 8 2 RMSD = 0.50 A MATRIX: 0.9283 -0.1841 0.3230 0.3341 0.7944 -0.5072 -0.1632 0.5788 0.7990 5.233 -13.765 21.072 C 87 PHE B 17 PHE^? C 173 ASP B 22 ASP.? ULMNm 2 1nir_01 NITRITE REDUCTASE user 4 2 RMSD = 0.51 A MATRIX: -0.2234 -0.6026 -0.7662 0.3085 0.7019 -0.6420 0.9246 -0.3798 0.0291 65.069 17.146 57.295 B 327 HIS B 95 HIS^? B 369 HIS B 93 HIS.? ULMNm 2 2amg_03 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 4 2 RMSD = 0.51 A MATRIX: 0.4118 0.7953 -0.4448 -0.9113 0.3617 -0.1968 0.0044 0.4864 0.8737 14.853 117.466 -25.465 193 ASP B 22 ASP.? 219 GLU B 20 GLU^? ULMNm 2 1dub_09 2-ENOYL-COA HYDRATASE user 1 2 RMSD = 0.51 A MATRIX: -0.9613 0.0256 -0.2745 0.2514 0.4899 -0.8347 0.1131 -0.8714 -0.4774 85.116 105.069 183.841 D 164 GLU A 88 GLU.? D 172 GLY A 86 GLY.? ULMNm 2 1nir_01 NITRITE REDUCTASE user 1 2 RMSD = 0.51 A MATRIX: 0.1323 0.0013 -0.9912 0.9683 0.2134 0.1296 0.2117 -0.9770 0.0270 70.394 3.017 83.415 B 327 HIS A 93 HIS.? B 369 HIS A 95 HIS^? ULMNm 2 1odt_03 CEPHALOSPORIN C DEACETYLASE user 7 2 RMSD = 0.51 A MATRIX: -0.3919 -0.4634 -0.7948 0.8161 -0.5739 -0.0679 -0.4246 -0.6752 0.6031 57.915 133.624 56.871 H 166 SER B 115 SER~? H 298 HIS A 93 HIS.? ULMNm 2 1qd6_00 OUTER MEMBRANE PHOSPHOLIPASE (OMPLA)user 7 2 RMSD = 0.51 A MATRIX: -0.1986 -0.7651 0.6125 -0.3645 0.6377 0.6786 -0.9098 -0.0885 -0.4055 3.681 -37.562 43.558 C 142 HIS B 37 HIS.? D 146 GLY A 68 GLY~? ULMNm 2 132l_00 LYSOZYME user 4 2 RMSD = 0.51 A MATRIX: -0.9711 0.2271 0.0727 0.2028 0.9469 -0.2496 -0.1255 -0.2276 -0.9656 -4.036 9.631 112.675 A 35 GLU A 78 GLU.? A 52 ASP B 47 ASP.? ULMNm 2 1pbg_04 6-PHOSPHO-BETA-D-GALACTOSIDASE user 17 2 RMSD = 0.51 A MATRIX: -0.7875 -0.4662 0.4032 -0.1036 -0.5448 -0.8322 0.6076 -0.6971 0.3807 62.710 28.475 41.628 A 160 GLU B 117 GLU~? A 269 GLU B 12 GLU.? ULMNm 2 1bgl_00 BETA-GALACTOSIDASE user 3 2 RMSD = 0.51 A MATRIX: 0.1508 -0.0387 -0.9878 -0.7977 0.5855 -0.1447 0.5839 0.8098 0.0574 56.183 140.964 3.835 A 461 GLU B 31 GLU.? A 537 GLU B 88 GLU.? ULMNm 2 1bvz_01 ALPHA-AMYLASE II user 17 2 RMSD = 0.52 A MATRIX: -0.6727 0.7051 -0.2242 -0.6021 -0.6978 -0.3881 -0.4301 -0.1261 0.8939 28.870 49.464 36.455 B 325 ASP B 22 ASP.? B 350 LEU B 66 LEU~? ULMNm 2 1d7r_00 2,2-DIALKYLGLYCINE DECARBOXYLASE (PYuser 1 2 RMSD = 0.52 A MATRIX: 0.3076 0.1140 -0.9447 0.7918 0.5199 0.3206 0.5276 -0.8466 0.0697 49.294 29.827 45.010 A 138 TRP A 49 TRP~? A 243 ASP A 47 ASP.? ULMNm 2 2bmi_00 CLASS B BETA-LACTAMASE user 1 2 RMSD = 0.52 A MATRIX: 0.0259 -0.0984 0.9948 0.9169 -0.3941 -0.0628 0.3982 0.9138 0.0800 -28.695 42.582 -21.002 A 86 ASP A 53 ASP~? A 176 ASN A 58 ASN~? ULMNm 2 1nir_01 NITRITE REDUCTASE user 2 2 RMSD = 0.52 A MATRIX: -0.7857 -0.0626 0.6154 0.6185 -0.0646 0.7831 -0.0093 0.9959 0.0895 -6.170 -20.029 16.965 B 327 HIS A 95 HIS^? B 369 HIS A 93 HIS.? ULMNm 2 1trk_05 TRANSKETOLASE (E.C.2.2.1.1) user 4 2 RMSD = 0.52 A MATRIX: 0.1966 -0.9755 0.0984 -0.5479 -0.1926 -0.8141 0.8131 0.1062 -0.5723 5.188 89.846 41.781 B 418 GLU B 31 GLU.? B 481 HIS B 93 HIS.? ULMNm 2 135l_00 LYSOZYME user 4 2 RMSD = 0.52 A MATRIX: 0.2494 0.6626 0.7062 0.9089 0.0915 -0.4068 -0.3342 0.7433 -0.5794 -34.718 30.188 49.480 35 GLU A 78 GLU.? 52 ASP B 47 ASP.? ULMNm 2 1cs1_04 CYSTATHIONINE GAMMA-SYNTHASE user 1 2 RMSD = 0.52 A MATRIX: -0.0306 0.9995 -0.0106 -0.6980 -0.0290 -0.7155 -0.7154 -0.0145 0.6985 -20.186 45.552 -9.355 A 87 PHE A 17 PHE^? A 173 ASP A 22 ASP.? ULMNm 2 1cbg_01 CYANOGENIC BETA-GLUCOSIDASE user 4 2 RMSD = 0.52 A MATRIX: 0.8804 -0.2923 -0.3733 0.2433 0.9543 -0.1733 0.4069 0.0618 0.9114 54.681 18.440 71.770 183 GLU B 121 GLU~? 397 GLU B 117 GLU~? ULMNm 2 1cs1_05 CYSTATHIONINE GAMMA-SYNTHASE user 3 2 RMSD = 0.52 A MATRIX: -0.0768 -0.8686 0.4894 -0.9057 -0.1445 -0.3985 0.4169 -0.4739 -0.7756 89.067 20.343 107.361 B 87 PHE A 27 PHE^? B 173 ASP A 23 ASP.? ULMNm 2 2cpu_00 ALPHA-AMYLASE user 5 2 RMSD = 0.52 A MATRIX: -0.3061 0.0962 0.9471 -0.9448 0.0911 -0.3146 -0.1166 -0.9912 0.0631 -30.252 42.687 73.291 A 197 ASP B 53 ASP~? A 236 ASP B 22 ASP.? ULMNm 2 1qho_00 ALPHA-AMYLASE user 2 2 RMSD = 0.52 A MATRIX: 0.0547 0.6423 0.7645 0.5017 0.6443 -0.5772 -0.8633 0.4152 -0.2870 -35.887 69.041 24.779 A 228 ASP A 23 ASP.? A 253 LEU A 92 LEU.? ULMNm 2 1bvz_01 ALPHA-AMYLASE II user 2 2 RMSD = 0.53 A MATRIX: 0.3739 -0.9093 0.1830 -0.9274 -0.3645 0.0834 -0.0091 -0.2009 -0.9796 56.806 22.343 114.807 B 325 ASP A 22 ASP.? B 350 LEU A 66 LEU~? ULMNm 2 1trk_07 TRANSKETOLASE (E.C.2.2.1.1) user 2 2 RMSD = 0.53 A MATRIX: -0.2272 -0.8315 -0.5069 -0.8747 -0.0545 0.4816 -0.4280 0.5529 -0.7149 34.176 23.088 27.867 A 30 HIS A 95 HIS^? A 263 HIS A 37 HIS.? ULMNm 2 1qd6_00 OUTER MEMBRANE PHOSPHOLIPASE (OMPLA)user 2 2 RMSD = 0.53 A MATRIX: -0.6620 0.2300 -0.7133 0.5519 -0.4943 -0.6716 -0.5071 -0.8383 0.2003 30.308 48.480 39.340 C 142 HIS A 37 HIS.? D 146 GLY B 68 GLY~? ULMNm 2 1trk_06 TRANSKETOLASE (E.C.2.2.1.1) user 2 2 RMSD = 0.53 A MATRIX: 0.4613 0.3344 0.8218 0.8593 0.0623 -0.5077 -0.2210 0.9404 -0.2586 -18.586 110.044 9.666 B 30 HIS A 95 HIS^? B 263 HIS A 37 HIS.? ULMNm 2 2npx_00 NADH PEROXIDASE (E.C.1.11.1.1) WITH user 5 2 RMSD = 0.53 A MATRIX: -0.4872 0.3326 -0.8075 0.6695 0.7359 -0.1009 0.5607 -0.5898 -0.5812 45.200 29.871 162.407 37 ILE B 83 ILE^? 42 CYH B 72 CYH~? ULMNm 2 1cs1_04 CYSTATHIONINE GAMMA-SYNTHASE user 3 2 RMSD = 0.53 A MATRIX: -0.0146 0.8794 -0.4759 -0.5337 -0.4093 -0.7400 -0.8455 0.2432 0.4753 10.305 58.710 -6.439 A 87 PHE A 27 PHE^? A 173 ASP A 23 ASP.? ULMNm 2 1bvz_00 ALPHA-AMYLASE II user 22 2 RMSD = 0.53 A MATRIX: -0.6246 0.4759 0.6192 -0.7547 -0.1641 -0.6352 -0.2007 -0.8640 0.4617 -6.361 64.157 67.252 A 325 ASP B 104 ASP~? A 350 LEU B 28 LEU^? ULMNm 2 1dub_09 2-ENOYL-COA HYDRATASE user 2 2 RMSD = 0.53 A MATRIX: -0.3817 -0.9206 0.0822 0.3391 -0.0567 0.9390 -0.8599 0.3863 0.3338 96.638 47.964 116.315 D 164 GLU B 88 GLU.? D 172 GLY B 86 GLY.? ULMNm 2 1stc_00 CAMP-DEPENDENT PROTEIN KINASE user 3 2 RMSD = 0.53 A MATRIX: -0.0804 0.0937 0.9923 -0.9579 -0.2826 -0.0509 0.2757 -0.9546 0.1125 -29.497 27.896 55.706 E 166 ASP A 51 ASP~? E 170 GLU B 78 GLU.? ULMNm 2 1hzd_17 AU-BINDING PROTEIN-ENOYL-COA HYDRATAuser 2 2 RMSD = 0.53 A MATRIX: 0.2009 -0.9784 0.0478 -0.7493 -0.1849 -0.6359 0.6311 0.0920 -0.7703 57.861 33.531 46.649 F 189 GLU A 88 GLU.? F 209 GLU A 31 GLU.? ULMNm 2 1a4g_01 NEURAMINIDASE user 2 2 RMSD = 0.54 A MATRIX: 0.7345 -0.4739 0.4857 0.6593 0.3292 -0.6760 0.1605 0.8167 0.5542 38.515 47.656 -75.562 B 148 ASP A 51 ASP~? B 275 GLU B 78 GLU.? ULMNm 2 1cs1_06 CYSTATHIONINE GAMMA-SYNTHASE user 10 2 RMSD = 0.54 A MATRIX: 0.6923 -0.1491 0.7060 0.6724 0.4885 -0.5561 -0.2619 0.8598 0.4384 -3.528 -6.318 24.924 C 87 PHE B 27 PHE^? C 173 ASP B 23 ASP.? ULMNm 2 1bvz_01 ALPHA-AMYLASE II user 12 2 RMSD = 0.54 A MATRIX: -0.6864 0.5466 -0.4797 0.7159 0.6241 -0.3132 0.1282 -0.5584 -0.8196 31.963 19.806 102.393 B 325 ASP A 104 ASP~? B 350 LEU B 102 LEU~? ULMNm 2 1bvz_01 ALPHA-AMYLASE II user 24 2 RMSD = 0.54 A MATRIX: 0.1879 -0.9020 0.3887 0.7251 0.3944 0.5645 -0.6625 0.1758 0.7282 36.652 -9.842 18.080 B 325 ASP B 104 ASP~? B 350 LEU A 102 LEU~? ULMNm 2 1dub_11 2-ENOYL-COA HYDRATASE user 1 2 RMSD = 0.55 A MATRIX: 0.3397 -0.9353 0.0990 0.6489 0.1569 -0.7446 0.6809 0.3172 0.6602 87.514 107.238 124.318 F 164 GLU A 88 GLU.? F 172 GLY A 86 GLY.? ULMNm 2 1qho_00 ALPHA-AMYLASE user 7 2 RMSD = 0.55 A MATRIX: 0.7568 -0.0747 -0.6494 0.6534 0.1128 0.7485 0.0173 -0.9908 0.1341 42.008 29.490 46.270 A 228 ASP B 23 ASP.? A 253 LEU B 92 LEU.? ULMNm 2 206l_00 LYSOZYME user 3 2 RMSD = 0.55 A MATRIX: -0.5758 0.1302 -0.8072 0.7233 -0.3791 -0.5771 -0.3812 -0.9161 0.1241 66.628 55.751 47.240 A 11 GLU A 44 GLU.? A 20 ASP A 53 ASP~? ULMNm 2 1bvz_00 ALPHA-AMYLASE II user 24 2 RMSD = 0.55 A MATRIX: -0.1227 0.3422 -0.9316 0.0386 -0.9363 -0.3490 -0.9917 -0.0788 0.1017 50.050 71.299 52.918 A 325 ASP B 111 ASP.? A 350 LEU A 102 LEU~? ULMNm 2 1chk_01 CHITOSANASE user 8 2 RMSD = 0.55 A MATRIX: -0.8326 -0.2008 0.5162 0.2307 0.7215 0.6528 -0.5035 0.6627 -0.5544 38.172 -1.753 26.029 A 22 GLU B 121 GLU~? A 40 ASP B 111 ASP.? ULMNm 2 1hzd_08 AU-BINDING PROTEIN-ENOYL-COA HYDRATAuser 1 2 RMSD = 0.55 A MATRIX: -0.9836 0.0260 -0.1782 0.1780 0.2928 -0.9395 0.0277 -0.9558 -0.2927 18.396 12.983 47.473 C 209 GLU A 88 GLU.? C 217 GLY A 86 GLY.? ULMNm 2 2cpo_00 CHLOROPEROXIDASE user 1 2 RMSD = 0.55 A MATRIX: -0.3783 -0.5979 0.7067 0.9245 -0.2062 0.3205 -0.0459 0.7746 0.6308 2.615 26.982 -68.235 105 HIS A 91 HIS.? 183 GLU A 45 GLU.? ULMNm 2 1kny_01 KANAMYCIN NUCLEOTIDYLTRANSFERASE user 2 2 RMSD = 0.55 A MATRIX: -0.6239 -0.0977 0.7754 -0.6495 -0.4870 -0.5839 0.4347 -0.8679 0.2404 3.659 56.878 60.041 B 145 GLU B 121 GLU~? B 149 LYS B 125 LYS~? ULMNm 2 1pbg_04 6-PHOSPHO-BETA-D-GALACTOSIDASE user 5 2 RMSD = 0.55 A MATRIX: -0.4927 -0.7982 0.3465 0.3686 0.1692 0.9140 -0.7882 0.5781 0.2108 58.127 -40.716 16.631 A 160 GLU A 78 GLU.? A 269 GLU A 31 GLU.? ULMNm 2 1l7n_01 PHOSPHOSERINE PHOSPHATASE user 3 2 RMSD = 0.55 A MATRIX: -0.9680 -0.0894 -0.2344 0.1493 -0.9562 -0.2516 -0.2017 -0.2786 0.9390 85.233 45.655 27.599 B 511 ASP B 21 ASP.? B 513 ASP B 23 ASP.? ULMNm 2 1dub_10 2-ENOYL-COA HYDRATASE user 1 2 RMSD = 0.55 A MATRIX: 0.1555 0.4825 0.8620 0.6337 0.6206 -0.4617 -0.7578 0.6181 -0.2093 38.244 89.821 150.038 E 164 GLU A 88 GLU.? E 172 GLY A 86 GLY.? ULMNm 2 1qd6_00 OUTER MEMBRANE PHOSPHOLIPASE (OMPLA)user 5 2 RMSD = 0.56 A MATRIX: -0.6476 -0.6889 -0.3255 0.3852 -0.6646 0.6402 -0.6574 0.2892 0.6958 40.174 -3.620 -13.477 C 142 HIS A 93 HIS.? D 146 GLY B 86 GLY.? ULMNm 2 1cs1_06 CYSTATHIONINE GAMMA-SYNTHASE user 3 2 RMSD = 0.56 A MATRIX: 0.2315 0.7872 -0.5716 0.5467 0.3807 0.7458 0.8047 -0.4851 -0.3422 22.889 -57.103 93.596 C 87 PHE A 27 PHE^? C 173 ASP A 23 ASP.? ULMNm 2 1bhg_00 BETA-GLUCURONIDASE user 3 2 RMSD = 0.56 A MATRIX: -0.9996 -0.0234 0.0161 -0.0090 -0.2781 -0.9605 0.0270 -0.9603 0.2777 76.332 120.272 88.222 A 451 GLU B 31 GLU.? A 540 GLU B 88 GLU.? ULMNm 2 1hzd_15 AU-BINDING PROTEIN-ENOYL-COA HYDRATAuser 1 2 RMSD = 0.56 A MATRIX: -0.4737 0.1096 0.8738 0.8795 0.1104 0.4629 -0.0457 0.9878 -0.1487 -56.174 -3.477 -18.116 D 189 GLU A 31 GLU.? D 209 GLU A 88 GLU.? ULMNm 2 1d7r_00 2,2-DIALKYLGLYCINE DECARBOXYLASE (PYuser 2 2 RMSD = 0.56 A MATRIX: 0.0432 0.1367 0.9897 0.8257 0.5528 -0.1124 -0.5625 0.8220 -0.0890 -30.073 46.617 5.442 A 138 TRP B 49 TRP~? A 243 ASP B 47 ASP.? ULMNm 2 1pbg_05 6-PHOSPHO-BETA-D-GALACTOSIDASE user 17 2 RMSD = 0.56 A MATRIX: -0.7928 -0.4137 0.4476 -0.2715 0.8972 0.3483 -0.5457 0.1547 -0.8236 21.048 -2.426 91.209 B 160 GLU B 117 GLU~? B 269 GLU B 12 GLU.? ULMNm 2 1gtp_07 GTP CYCLOHYDROLASE I user 4 2 RMSD = 0.56 A MATRIX: 0.3857 0.3536 0.8522 0.8065 -0.5778 -0.1253 0.4481 0.7356 -0.5080 3.813 29.716 30.479 H 112 HIS B 93 HIS.? H 179 HIS B 37 HIS.? ULMNm 2 2npx_00 NADH PEROXIDASE (E.C.1.11.1.1) WITH user 1 2 RMSD = 0.56 A MATRIX: -0.0241 -0.6693 0.7426 0.8936 0.3186 0.3161 -0.4481 0.6712 0.5905 9.749 24.342 79.888 37 ILE A 83 ILE^? 42 CYH A 72 CYH~? ULMNm 2 1gtp_13 GTP CYCLOHYDROLASE I user 4 2 RMSD = 0.56 A MATRIX: -0.7899 0.6130 0.0143 0.3626 0.4481 0.8171 0.4945 0.6507 -0.5763 85.147 12.729 37.048 N 112 HIS B 93 HIS.? N 179 HIS B 37 HIS.? ULMNm 2 1gtp_18 GTP CYCLOHYDROLASE I user 4 2 RMSD = 0.56 A MATRIX: 0.3853 0.3469 0.8551 -0.7964 0.5930 0.1182 -0.4661 -0.7266 0.5048 106.036 -6.522 40.026 S 112 HIS B 93 HIS.? S 179 HIS B 37 HIS.? ULMNm 2 1gtp_04 GTP CYCLOHYDROLASE I user 4 2 RMSD = 0.56 A MATRIX: -0.7978 0.6030 0.0031 -0.3620 -0.4748 -0.8022 -0.4822 -0.6411 0.5971 -16.374 10.979 33.677 E 112 HIS B 93 HIS.? E 179 HIS B 37 HIS.? ULMNm 2 1qd6_00 OUTER MEMBRANE PHOSPHOLIPASE (OMPLA)user 11 2 RMSD = 0.56 A MATRIX: -0.9258 -0.3642 0.1012 -0.3421 0.6933 -0.6343 0.1608 -0.6219 -0.7664 13.840 10.975 71.180 C 142 HIS B 93 HIS.? D 146 GLY A 86 GLY.? ULMNm 2 1gtp_02 GTP CYCLOHYDROLASE I user 4 2 RMSD = 0.56 A MATRIX: 0.9267 -0.0515 0.3723 -0.2352 0.6931 0.6814 -0.2931 -0.7190 0.6302 28.802 -28.500 38.659 C 112 HIS B 93 HIS.? C 179 HIS B 37 HIS.? ULMNm 2 1c3j_00 BETA-GLUCOSYLTRANSFERASE user 3 2 RMSD = 0.57 A MATRIX: 0.7033 0.1965 -0.6832 -0.4655 0.8536 -0.2337 0.5373 0.4824 0.6918 34.385 -38.766 -42.087 A 22 GLU A 44 GLU.? A 100 ASP A 53 ASP~? ULMNm 2 1l7n_00 PHOSPHOSERINE PHOSPHATASE user 3 2 RMSD = 0.57 A MATRIX: 0.0640 0.8784 -0.4737 -0.9527 -0.0876 -0.2911 -0.2972 0.4699 0.8312 43.410 42.607 -30.409 A 11 ASP B 21 ASP.? A 13 ASP B 23 ASP.? ULMNm 2 1bvz_00 ALPHA-AMYLASE II user 12 2 RMSD = 0.57 A MATRIX: 0.1207 -0.3554 0.9269 -0.8980 0.3589 0.2545 -0.4231 -0.8631 -0.2758 -6.073 11.192 89.562 A 325 ASP A 111 ASP.? A 350 LEU B 102 LEU~? ULMNm 2 1t0u_00 URIDINE PHOSPHORYLASE user 2 2 RMSD = 0.57 A MATRIX: 0.7939 0.4479 -0.4111 -0.6047 0.6519 -0.4575 0.0631 0.6119 0.7884 -23.972 26.090 -66.281 A 8 HIS B 91 HIS.? A 80 GLU B 45 GLU.? ULMNm 2 1gtp_01 GTP CYCLOHYDROLASE I user 4 2 RMSD = 0.57 A MATRIX: 0.5049 -0.6384 -0.5810 0.7878 0.0657 0.6124 -0.3528 -0.7669 0.5361 44.322 6.487 39.798 B 112 HIS B 93 HIS.? B 179 HIS B 37 HIS.? ULMNm 2 1gtp_14 GTP CYCLOHYDROLASE I user 4 2 RMSD = 0.57 A MATRIX: -0.5441 -0.2265 -0.8079 -0.7202 0.6200 0.3112 0.4304 0.7512 -0.5004 118.452 -6.778 32.957 O 112 HIS B 93 HIS.? O 179 HIS B 37 HIS.? ULMNm 2 1dub_08 2-ENOYL-COA HYDRATASE user 1 2 RMSD = 0.57 A MATRIX: 0.9667 -0.1623 0.1980 -0.2520 -0.4651 0.8486 -0.0456 -0.8702 -0.4905 65.402 78.707 185.470 C 164 GLU A 88 GLU.? C 172 GLY A 86 GLY.? ULMNm 2 1cs1_07 CYSTATHIONINE GAMMA-SYNTHASE user 1 2 RMSD = 0.57 A MATRIX: -0.0901 -0.9573 0.2747 0.9844 -0.0437 0.1706 -0.1513 0.2858 0.9463 100.531 -3.484 -43.424 D 87 PHE A 17 PHE^? D 173 ASP A 22 ASP.? ULMNm 2 1bhg_00 BETA-GLUCURONIDASE user 1 2 RMSD = 0.57 A MATRIX: -0.3829 -0.9098 -0.1602 -0.4303 0.0222 0.9024 -0.8175 0.4145 -0.4000 107.738 36.237 77.982 A 451 GLU A 31 GLU.? A 540 GLU A 88 GLU.? ULMNm 2 1dub_11 2-ENOYL-COA HYDRATASE user 2 2 RMSD = 0.57 A MATRIX: -0.7027 0.6854 -0.1906 0.1992 0.4467 0.8722 0.6830 0.5750 -0.4505 54.768 33.531 162.355 F 164 GLU B 88 GLU.? F 172 GLY B 86 GLY.? ULMNm 2 1gtp_16 GTP CYCLOHYDROLASE I user 4 2 RMSD = 0.57 A MATRIX: 0.1110 -0.7536 -0.6479 0.9163 -0.1748 0.3603 -0.3848 -0.6337 0.6711 142.086 43.074 37.282 Q 112 HIS B 93 HIS.? Q 179 HIS B 37 HIS.? ULMNm 2 1uw8_02 OXALATE DECARBOXYLASE OXDC user 1 2 RMSD = 0.58 A MATRIX: -0.8850 0.4037 0.2319 0.0301 0.5466 -0.8369 -0.4646 -0.7337 -0.4959 5.198 51.181 48.186 A 92 ARG A 79 ARG^? A 162 GLU A 78 GLU.? ULMNm 2 1gtp_10 GTP CYCLOHYDROLASE I user 4 2 RMSD = 0.58 A MATRIX: 0.4989 -0.6345 -0.5904 -0.7978 -0.0702 -0.5988 0.3385 0.7698 -0.5412 146.565 16.711 30.748 K 112 HIS B 93 HIS.? K 179 HIS B 37 HIS.? ULMNm 2 1gtp_06 GTP CYCLOHYDROLASE I user 4 2 RMSD = 0.58 A MATRIX: 0.8683 -0.4520 0.2044 -0.1186 -0.5892 -0.7992 0.4817 0.6697 -0.5652 38.613 18.369 33.354 G 112 HIS B 93 HIS.? G 179 HIS B 37 HIS.? ULMNm 2 1l1r_00 ADENINE PHOSPHORIBOSYLTRANSFERASE user 1 2 RMSD = 0.58 A MATRIX: -0.6991 -0.7141 -0.0365 -0.6072 0.5659 0.5577 -0.3777 0.4120 -0.8292 22.028 5.385 73.276 A 63 ARG A 79 ARG^? A 100 GLU B 45 GLU.? ULMNm 2 1gtp_19 GTP CYCLOHYDROLASE I user 4 2 RMSD = 0.58 A MATRIX: -0.7068 0.5759 0.4109 -0.6263 -0.2394 -0.7419 -0.3289 -0.7817 0.5299 84.314 25.506 43.494 T 112 HIS B 93 HIS.? T 179 HIS B 37 HIS.? ULMNm 2 1gtp_07 GTP CYCLOHYDROLASE I user 2 2 RMSD = 0.58 A MATRIX: 0.6304 0.3381 -0.6988 -0.2956 0.9369 0.1866 0.7178 0.0889 0.6905 67.392 -24.942 -0.998 H 112 HIS A 93 HIS.? H 179 HIS A 37 HIS.?