*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 4 1pix_c00 GLUTACONYL-COA DECARBOXYLASE A SUBUNuser 5 4 RMSD = 1.46 A TRANSFORM 0.2373 0.7969 -0.5556 0.6471 0.2969 0.7022 0.7245 -0.5262 -0.4452 55.423 60.445 -20.165 A 151 VAL A 76 VAL~? A 194 GLY A 79 GLY~? A 417 ILE B 93 ILE~? A 457 ALA B 92 ALA~? ULMNm 3 1ir3_c02 INSULIN RECEPTOR user 1 3 RMSD = 0.78 A TRANSFORM -0.3309 -0.0533 -0.9422 -0.8821 -0.3374 0.3289 -0.3354 0.9399 0.0646 18.046 87.691 15.592 A1132 ASP A 142 ASP~? A1134 ALA A 145 ALA~? A1137 ASN A 146 ASN~? ULMNm 3 1i19_c00 CHOLESTEROL OXIDASE user 1 3 RMSD = 0.97 A TRANSFORM -0.4375 0.8016 -0.4074 0.6764 -0.0051 -0.7365 -0.5924 -0.5978 -0.5400 40.074 16.832 101.590 A 311 GLU A 158 GLU~? A 475 GLU B 43 GLU.? A 477 ARG A 154 ARG~? ULMNm 3 1cns_c01 CHITINASE user 9 3 RMSD = 0.97 A TRANSFORM -0.2561 -0.0955 0.9619 0.9505 -0.2062 0.2326 0.1762 0.9738 0.1436 12.942 -77.754 40.054 B 67 GLU B 41 GLU~? B 89 GLU B 33 GLU~? B 120 SER B 59 SER~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 2 3 RMSD = 0.98 A TRANSFORM 0.1930 -0.9790 0.0653 0.8544 0.1349 -0.5017 0.4824 0.1526 0.8626 45.756 -18.842 -39.369 A 229 ALA A 145 ALA~? A 257 ALA A 149 ALA~? A 328 ASP A 124 ASP~? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 6 3 RMSD = 1.02 A TRANSFORM 0.2919 -0.9528 -0.0837 0.2986 0.0077 0.9544 -0.9086 -0.3036 0.2867 37.398 -134.092 -81.400 A 420 ALA A 149 ALA~? B 182 GLY A 13 GLY~? B 183 GLY A 11 GLY~? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 9 3 RMSD = 1.03 A TRANSFORM 0.5567 0.2334 0.7973 0.8302 -0.1221 -0.5439 -0.0296 0.9647 -0.2617 -15.395 -151.199 -106.664 A 420 ALA B 8 ALA~? B 182 GLY B 13 GLY~? B 183 GLY B 12 GLY~? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 5 3 RMSD = 1.04 A TRANSFORM 0.2523 -0.7054 0.6624 0.0850 0.6981 0.7110 -0.9639 -0.1231 0.2361 24.326 -128.279 -80.172 A 420 ALA A 149 ALA~? B 182 GLY A 12 GLY~? B 183 GLY A 11 GLY~? ULMNm 3 1xny_c00 PROPIONYL-COA CARBOXYLASE COMPLEX B user 2 3 RMSD = 1.04 A TRANSFORM -0.4249 -0.3656 -0.8282 0.8837 0.0308 -0.4670 0.1962 -0.9303 0.3100 69.675 -120.128 -164.486 A 183 GLY B 12 GLY~? B 419 GLY B 11 GLY~? B 420 ALA B 8 ALA~? ULMNm 3 1xny_c00 PROPIONYL-COA CARBOXYLASE COMPLEX B user 1 3 RMSD = 1.04 A TRANSFORM -0.2522 0.3768 0.8913 0.9574 -0.0365 0.2864 0.1405 0.9256 -0.3516 17.481 -120.717 -141.695 A 183 GLY A 12 GLY~? B 419 GLY A 11 GLY~? B 420 ALA A 8 ALA~? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 3 3 RMSD = 1.05 A TRANSFORM 0.4694 -0.2478 -0.8475 0.8829 0.1395 0.4483 0.0071 -0.9587 0.2843 34.298 -156.536 -122.690 A 420 ALA A 8 ALA~? B 182 GLY A 13 GLY~? B 183 GLY A 12 GLY~? ULMNm 3 1i19_c01 CHOLESTEROL OXIDASE user 1 3 RMSD = 1.05 A TRANSFORM 0.4768 -0.7727 0.4190 -0.2962 -0.5900 -0.7511 0.8276 0.2340 -0.5102 13.350 57.407 43.362 B 311 GLU A 158 GLU~? B 475 GLU B 43 GLU.? B 477 ARG A 154 ARG~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 6 3 RMSD = 1.07 A TRANSFORM -0.8099 -0.5510 -0.2012 0.4322 -0.7925 0.4302 -0.3965 0.2615 0.8800 100.810 -36.892 22.521 A 229 ALA B 149 ALA~? A 257 ALA B 145 ALA~? A 328 ASP B 124 ASP~? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 5 3 RMSD = 1.12 A TRANSFORM 0.8800 0.0548 0.4717 0.0610 0.9721 -0.2266 -0.4710 0.2282 0.8521 -24.629 27.419 34.227 A 67 ASP B 9 ASP~? A 68 ALA B 8 ALA~? A 72 LEU B 148 LEU~? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 4 3 RMSD = 1.13 A TRANSFORM -0.1354 -0.2668 0.9542 -0.6520 0.7492 0.1170 -0.7461 -0.6063 -0.2754 33.282 -80.433 -75.688 A 420 ALA A 145 ALA~? B 182 GLY A 12 GLY~? B 183 GLY A 11 GLY~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 4 3 RMSD = 1.17 A TRANSFORM 0.2159 0.6473 -0.7310 0.3965 -0.7423 -0.5402 -0.8923 -0.1732 -0.4170 -19.956 -5.617 59.142 141 ASP A 109 ASP~? 166 GLY A 160 GLY.? 169 GLU B 43 GLU.? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 10 3 RMSD = 1.17 A TRANSFORM 0.2011 0.9448 0.2586 0.4937 0.1303 -0.8598 -0.8461 0.3006 -0.4403 32.384 -116.208 -50.187 A 420 ALA B 149 ALA~? B 182 GLY B 13 GLY~? B 183 GLY B 11 GLY~? ULMNm 3 1ddj_c13 PLASMINOGEN user 1 3 RMSD = 1.19 A TRANSFORM -0.1935 -0.9796 -0.0550 -0.4438 0.1374 -0.8855 0.8750 -0.1469 -0.4613 -21.968 72.572 -61.573 B 603 HIS B 38 HIS~? B 646 ASP B 34 ASP~? B 739 GLY A 79 GLY~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 3 3 RMSD = 1.20 A TRANSFORM 0.3178 0.6549 -0.6857 0.6246 -0.6887 -0.3682 -0.7133 -0.3113 -0.6279 -27.570 -20.428 49.806 141 ASP A 109 ASP~? 166 GLY A 160 GLY.? 169 GLU A 158 GLU~? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 1 3 RMSD = 1.21 A TRANSFORM -0.6741 -0.1002 0.7318 -0.7290 -0.0691 -0.6810 0.1188 -0.9926 -0.0264 62.627 -51.512 -120.803 A 420 ALA A 8 ALA~? B 182 GLY A 12 GLY~? B 183 GLY A 11 GLY~? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 7 3 RMSD = 1.21 A TRANSFORM -0.8134 0.1025 -0.5726 -0.5683 0.0699 0.8199 0.1241 0.9923 0.0014 113.752 -78.323 -121.849 A 420 ALA B 8 ALA~? B 182 GLY B 12 GLY~? B 183 GLY B 11 GLY~? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 10 3 RMSD = 1.23 A TRANSFORM 0.9516 -0.2826 -0.1211 -0.2521 -0.4917 -0.8335 0.1760 0.8237 -0.5391 -47.876 26.736 153.321 C 70 ALA B 24 ALA~? C 126 LEU B 26 LEU~? C 158 GLU B 29 GLU~? ULMNm 3 3hde_o00 LYSOZYME user 1 3 RMSD = 1.25 A TRANSFORM 0.2760 0.8867 -0.3710 -0.5558 -0.1677 -0.8143 -0.7842 0.4309 0.4465 -2.941 19.787 6.499 A 35 GLU A 19 GLU~? A 44 ASP B 34 ASP~? A 50 THR B 32 THR~? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 10 3 RMSD = 1.26 A TRANSFORM -0.2460 0.6336 0.7335 0.9544 0.0261 0.2974 0.1693 0.7732 -0.6111 -6.630 -29.395 154.282 A 70 ALA B 24 ALA~? A 126 LEU B 26 LEU~? A 158 GLU B 29 GLU~? ULMNm 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 12 3 RMSD = 1.26 A TRANSFORM -0.6856 -0.2672 -0.6771 -0.6880 0.5419 0.4827 0.2379 0.7968 -0.5554 21.110 34.364 151.116 B 70 ALA B 24 ALA~? B 126 LEU B 26 LEU~? B 158 GLU B 29 GLU~? ULMNm 3 1ddj_c12 PLASMINOGEN user 2 3 RMSD = 1.26 A TRANSFORM -0.2755 0.4751 0.8357 0.9218 0.3772 0.0894 -0.2728 0.7949 -0.5419 23.629 12.350 21.183 A 603 HIS B 38 HIS~? A 646 ASP B 34 ASP~? A 739 GLY A 79 GLY~? ULMNm 3 1ddj_c14 PLASMINOGEN user 2 3 RMSD = 1.28 A TRANSFORM -0.3376 0.4708 0.8151 0.9138 0.3718 0.1637 -0.2260 0.8001 -0.5557 24.484 10.943 82.170 C 603 HIS B 38 HIS~? C 646 ASP B 34 ASP~? C 739 GLY A 79 GLY~? ULMNm 3 2amg_c06 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 4 3 RMSD = 1.29 A TRANSFORM 0.7080 0.7014 0.0821 -0.6909 0.6639 0.2862 0.1462 -0.2593 0.9547 -29.499 164.348 -40.224 193 ASP B 117 ASP.? 231 ASP B 142 ASP~? 294 ASP B 164 ASP.? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 3 3 RMSD = 1.30 A TRANSFORM -0.6201 0.7261 0.2971 -0.7476 -0.6617 0.0569 0.2379 -0.1868 0.9532 70.234 59.191 -10.793 A 67 ASP A 150 ASP~? A 68 ALA A 149 ALA~? A 72 LEU A 148 LEU~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 9 3 RMSD = 1.32 A TRANSFORM 0.3077 0.9512 -0.0231 -0.7103 0.2458 0.6596 0.6330 -0.1866 0.7513 -20.228 34.750 -49.015 141 ASP A 150 ASP~? 166 GLY B 30 GLY~? 169 GLU B 33 GLU~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 10 3 RMSD = 1.32 A TRANSFORM 0.1222 0.9282 -0.3513 -0.9923 0.1073 -0.0617 -0.0196 0.3561 0.9342 -3.095 66.885 -18.508 141 ASP A 150 ASP~? 166 GLY B 30 GLY~? 169 GLU B 66 GLU~? ULMNm 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 2 3 RMSD = 1.33 A TRANSFORM 0.7335 -0.0270 0.6791 0.6309 -0.3445 -0.6952 0.2527 0.9384 -0.2357 -24.456 7.507 -36.804 A 465 GLY A 69 GLY~? A 501 ASP A 34 ASP~? B 367 TYR A 153 TYR~? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 2 3 RMSD = 1.34 A TRANSFORM 0.8773 -0.0606 -0.4760 0.0356 -0.9810 0.1905 -0.4785 -0.1841 -0.8585 14.089 18.899 58.236 A 67 ASP A 9 ASP~? A 68 ALA A 8 ALA~? A 72 LEU A 148 LEU~? ULMNm 3 1cns_c01 CHITINASE user 5 3 RMSD = 1.35 A TRANSFORM 0.2218 -0.9749 0.0214 0.4584 0.0849 -0.8847 0.8606 0.2060 0.4657 11.441 -37.695 8.125 B 67 GLU A 188 GLU~? B 89 GLU A 71 GLU~? B 120 SER A 181 SER~? ULMNm 3 1t4c_c02 FORMYL-COENZYME A TRANSFERASE user 1 3 RMSD = 1.36 A TRANSFORM 0.2424 -0.9489 0.2018 0.1966 -0.1556 -0.9680 0.9500 0.2744 0.1489 51.795 27.409 -24.228 A 261 GLY A 30 GLY~? B 17 GLN A 35 GLN~? B 140 GLU A 29 GLU~? ULMNm 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 2 3 RMSD = 1.36 A TRANSFORM -0.0207 0.2928 0.9559 -0.9732 0.2130 -0.0863 -0.2289 -0.9321 0.2806 16.924 94.499 -30.365 D 465 GLY A 69 GLY~? D 501 ASP A 34 ASP~? E 367 TYR A 153 TYR~? ULMNm 3 1emd_c01 MALATE DEHYDROGENASE (E.C.1.1.1.37) user 2 3 RMSD = 1.37 A TRANSFORM 0.7823 0.2655 0.5635 -0.4854 -0.3071 0.8186 0.3904 -0.9139 -0.1114 -38.010 11.919 -5.569 150 ASP B 34 ASP~? 153 ARG A 21 ARG~? 177 HIS B 38 HIS~? ULMNm 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 6 3 RMSD = 1.37 A TRANSFORM 0.3529 -0.1789 -0.9184 -0.6305 -0.7707 -0.0922 -0.6913 0.6115 -0.3848 -31.299 28.379 181.943 B 70 ALA A 39 ALA~? B 126 LEU A 26 LEU~? B 158 GLU A 29 GLU~? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 6 3 RMSD = 1.38 A TRANSFORM -0.7489 -0.5550 0.3621 -0.0467 0.5892 0.8067 -0.6610 0.5872 -0.4671 15.450 21.334 180.153 A 70 ALA A 39 ALA~? A 126 LEU A 26 LEU~? A 158 GLU A 29 GLU~? ULMNm 3 2p3i_p00 VP4 user 3 3 RMSD = 1.39 A TRANSFORM 0.3970 0.8589 -0.3234 -0.5473 -0.0613 -0.8347 -0.7367 0.5084 0.4458 38.155 88.569 60.667 A 101 ARG B 108 ARG~? A 188 TYR B 161 TYR.? A 190 SER B 198 SER.? ULMNm 3 1bp2_c00 PHOSPHOLIPASE A2 (E.C.3.1.1.4) (PHOSuser 1 3 RMSD = 1.39 A TRANSFORM -0.9139 -0.3978 -0.0802 -0.0543 -0.0761 0.9956 -0.4022 0.9143 0.0480 66.159 4.954 29.581 30 GLY A 100 GLY~? 48 HIS A 95 HIS~? 99 ASP A 9 ASP~? ULMNm 3 4mdh_c03 CYTOPLASMIC MALATE DEHYDROGENASE (E.user 2 3 RMSD = 1.40 A TRANSFORM 0.9495 -0.0807 0.3033 0.3097 0.0834 -0.9472 0.0512 0.9932 0.1042 -7.312 15.926 31.892 B 158 ASP B 34 ASP~? B 161 ARG A 21 ARG~? B 186 HIS B 38 HIS~? ULMNm 3 1pnl_c00 PENICILLIN AMIDOHYDROLASE user 1 3 RMSD = 1.40 A TRANSFORM 0.3907 0.4805 0.7852 0.5223 -0.8181 0.2408 0.7580 0.3160 -0.5706 -38.128 18.953 -2.387 B 1 SER A 143 SER~? B 69 ALA A 145 ALA~? B 241 ASN A 146 ASN~? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 6 3 RMSD = 1.41 A TRANSFORM 0.3201 0.7970 0.5121 0.6066 0.2428 -0.7570 -0.7277 0.5530 -0.4058 -14.587 -15.295 182.481 C 70 ALA A 39 ALA~? C 126 LEU A 26 LEU~? C 158 GLU A 29 GLU~? ULMNm 3 2odj_o01 PORIN D user 3 3 RMSD = 1.41 A TRANSFORM -0.9140 -0.3085 -0.2636 -0.2379 0.9337 -0.2678 0.3287 -0.1821 -0.9267 61.946 30.141 78.197 B 156 HIS B 95 HIS~? B 208 ASP B 101 ASP~? B 296 SER B 165 SER.? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 5 3 RMSD = 1.42 A TRANSFORM 0.1496 0.9770 -0.1519 0.8825 -0.0627 0.4661 0.4458 -0.2037 -0.8716 52.858 -59.453 -11.528 A 229 ALA B 145 ALA~? A 257 ALA B 149 ALA~? A 328 ASP B 124 ASP~? ULMNm 3 1fr8_c01 BETA 1,4 GALACTOSYLTRANSFERASE user 3 3 RMSD = 1.42 A TRANSFORM 0.2110 -0.5173 0.8294 -0.4675 -0.7986 -0.3791 0.8584 -0.3078 -0.4103 -23.256 35.265 -1.563 B 317 GLU B 33 GLU~? B 319 ASP B 34 ASP~? B 359 ARG A 21 ARG~? ULMNm 3 2p3i_p00 VP4 user 1 3 RMSD = 1.44 A TRANSFORM 0.4062 -0.8524 0.3292 -0.5657 0.0483 0.8232 -0.7176 -0.5206 -0.4626 30.796 43.808 61.114 A 101 ARG A 108 ARG~? A 188 TYR A 161 TYR.? A 190 SER A 198 SER.? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 3 3 RMSD = 1.44 A TRANSFORM -0.8274 0.5002 0.2553 0.3745 0.8302 -0.4128 -0.4185 -0.2459 -0.8743 76.912 -4.173 51.501 A 229 ALA A 149 ALA~? A 257 ALA A 145 ALA~? A 328 ASP A 124 ASP~? ULMNm 3 1ldm_c01 M4 LACTATE DEHYDROGENASE user 2 3 RMSD = 1.45 A TRANSFORM 0.3047 -0.8909 0.3368 0.5002 -0.1512 -0.8526 0.8105 0.4283 0.3996 -6.042 2.948 -38.883 166 ASP B 34 ASP~? 169 ARG A 21 ARG~? 193 HIS B 38 HIS~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 2 3 RMSD = 1.45 A TRANSFORM -0.1368 0.7017 -0.6992 0.7394 -0.3974 -0.5435 -0.6592 -0.5913 -0.4645 0.868 -26.146 47.162 141 ASP A 104 ASP~? 166 GLY A 160 GLY.? 169 GLU B 43 GLU.? ULMNm 3 1vom_c00 MYOSIN user 2 3 RMSD = 1.46 A TRANSFORM 0.5648 0.5684 -0.5983 0.4842 0.3588 0.7980 0.6682 -0.7404 -0.0725 31.096 1.440 -67.378 233 ASN B 44 ASN.? 457 GLY A 160 GLY.? 459 GLU A 158 GLU~? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 1 3 RMSD = 1.46 A TRANSFORM 0.3296 0.4615 -0.8236 -0.0330 -0.8662 -0.4986 -0.9436 0.1915 -0.2703 36.640 31.522 63.595 A 67 ASP A 9 ASP~? A 68 ALA A 8 ALA~? A 72 LEU A 98 LEU~? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 7 3 RMSD = 1.47 A TRANSFORM -0.4928 -0.8279 -0.2679 -0.7020 0.5602 -0.4398 0.5142 -0.0287 -0.8572 81.404 83.742 -4.074 A 67 ASP B 150 ASP~? A 68 ALA B 149 ALA~? A 72 LEU B 148 LEU~? ULMNm 3 1cns_c00 CHITINASE user 5 3 RMSD = 1.47 A TRANSFORM -0.4029 0.5587 -0.7249 0.3253 -0.6529 -0.6841 -0.8555 -0.5114 0.0813 11.886 -5.707 113.490 A 67 GLU B 41 GLU~? A 89 GLU B 33 GLU~? A 120 SER B 59 SER~? ULMNm 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 1 3 RMSD = 1.47 A TRANSFORM -0.6105 0.3417 0.7145 -0.7811 -0.4088 -0.4719 0.1309 -0.8462 0.5165 -23.825 40.628 136.161 B 70 ALA A 24 ALA~? B 126 LEU A 26 LEU~? B 158 GLU A 29 GLU~? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 1 3 RMSD = 1.47 A TRANSFORM 0.9880 0.1253 0.0900 -0.1405 0.4900 0.8603 0.0637 -0.8627 0.5017 -32.095 -15.618 137.764 C 70 ALA A 24 ALA~? C 126 LEU A 26 LEU~? C 158 GLU A 29 GLU~? ULMNm 3 2odj_o00 PORIN D user 3 3 RMSD = 1.48 A TRANSFORM -0.3143 0.9291 -0.1948 0.9392 0.2743 -0.2066 -0.1385 -0.2479 -0.9588 15.773 -24.599 45.614 A 156 HIS A 95 HIS~? A 208 ASP A 101 ASP~? A 296 SER A 181 SER~? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 1 3 RMSD = 1.48 A TRANSFORM -0.3681 -0.5570 -0.7445 0.9273 -0.1608 -0.3382 0.0686 -0.8148 0.5756 20.565 5.005 135.354 A 70 ALA A 24 ALA~? A 126 LEU A 26 LEU~? A 158 GLU A 29 GLU~? ULMNm 3 1bp2_c00 PHOSPHOLIPASE A2 (E.C.3.1.1.4) (PHOSuser 2 3 RMSD = 1.49 A TRANSFORM -0.9217 0.3821 0.0675 -0.0480 0.0604 -0.9970 -0.3850 -0.9222 -0.0373 84.222 46.658 36.347 30 GLY B 100 GLY~? 48 HIS B 95 HIS~? 99 ASP B 9 ASP~?