HEADER VIRAL PROTEIN/IMMUNE SYSTEM 22-OCT-21 7SL5 TITLE CRYSTAL STRUCTURE OF VP12E7 FAB IN COMPLEX WITH SARS-COV-2 S FUSION TITLE 2 PEPTIDE COMPND MOL_ID: 1; COMPND 2 MOLECULE: HEAVY CHAIN VP12E7 FAB; COMPND 3 CHAIN: A, D, G, J; COMPND 4 ENGINEERED: YES; COMPND 5 MOL_ID: 2; COMPND 6 MOLECULE: LIGHT CHAIN VP12E7 FAB; COMPND 7 CHAIN: B, E, H, K; COMPND 8 ENGINEERED: YES; COMPND 9 MOL_ID: 3; COMPND 10 MOLECULE: PRO-SER-LYS-ARG-SER-PHE-ILE-GLU-ASP-LEU-LEU-PHE-ASN; COMPND 11 CHAIN: C, F, I, L; COMPND 12 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: MAMMAL ENVIRONMENTAL SAMPLE; SOURCE 3 ORGANISM_TAXID: 1092587; SOURCE 4 EXPRESSION_SYSTEM: MAMMAL ENVIRONMENTAL SAMPLE; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 1092587; SOURCE 6 MOL_ID: 2; SOURCE 7 ORGANISM_SCIENTIFIC: MAMMAL ENVIRONMENTAL SAMPLE; SOURCE 8 ORGANISM_TAXID: 1092587; SOURCE 9 EXPRESSION_SYSTEM: MAMMAL ENVIRONMENTAL SAMPLE; SOURCE 10 EXPRESSION_SYSTEM_TAXID: 1092587; SOURCE 11 MOL_ID: 3; SOURCE 12 SYNTHETIC: YES; SOURCE 13 ORGANISM_SCIENTIFIC: SEVERE ACUTE RESPIRATORY SYNDROME CORONAVIRUS SOURCE 14 2; SOURCE 15 ORGANISM_TAXID: 2697049 KEYWDS SARS-COV-2 SPIKE, COVID-19, FUSION PEPTIDE, FAB, VIRAL PROTEIN, VIRAL KEYWDS 2 PROTEIN-IMMUNE SYSTEM COMPLEX, STRUCTURAL GENOMICS, SEATTLE KEYWDS 3 STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE, SSGCID EXPDTA X-RAY DIFFRACTION AUTHOR M.A.TORTORICI,D.VEESLER,SEATTLE STRUCTURAL GENOMICS CENTER FOR AUTHOR 2 INFECTIOUS DISEASE (SSGCID) REVDAT 1 20-JUL-22 7SL5 0 JRNL AUTH J.S.LOW,J.JERAK,A.M.TORTORICI,M.MCCALLUM,D.PINTO,A.CASSOTTA, JRNL AUTH 2 M.FOGLIERINI,F.MELE,R.ABDELNABI,B.WEYNAND,J.NOACK, JRNL AUTH 3 M.MONTIEL-RUIZ,S.BIANCHI,F.BENIGNI,N.SPRUGASCI,A.JOSHI, JRNL AUTH 4 J.E.BOWEN,C.STEWART,M.REXHEPAJ,A.C.WALLS,D.JARROSSAY, JRNL AUTH 5 D.MORONE,P.PAPARODITIS,C.GARZONI,P.FERRARI,A.CESCHI,J.NEYTS, JRNL AUTH 6 L.A.PURCELL,G.SNELL,D.CORTI,A.LANZAVECCHIA,D.VEESLER, JRNL AUTH 7 F.SALLUSTO JRNL TITL ACE2-BINDING EXPOSES THE SARS-COV-2 FUSION PEPTIDE TO JRNL TITL 2 BROADLY NEUTRALIZING CORONAVIRUS ANTIBODIES JRNL REF SCIENCE 2022 JRNL REFN ESSN 1095-9203 JRNL DOI 10.1126/SCIENCE.ABQ2679 REMARK 2 REMARK 2 RESOLUTION. 2.50 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PHENIX 1.19.2_4158 REMARK 3 AUTHORS : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN REMARK 3 : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE, REMARK 3 : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER, REMARK 3 : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY, REMARK 3 : REETAL PAI,RANDY READ,JANE RICHARDSON, REMARK 3 : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI, REMARK 3 : NICHOLAS SAUTER,JACOB SMITH,LAURENT REMARK 3 : STORONI,TOM TERWILLIGER,PETER ZWART REMARK 3 REMARK 3 REFINEMENT TARGET : ML REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.50 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 48.20 REMARK 3 MIN(FOBS/SIGMA_FOBS) : 1.970 REMARK 3 COMPLETENESS FOR RANGE (%) : 97.8 REMARK 3 NUMBER OF REFLECTIONS : 70929 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 R VALUE (WORKING + TEST SET) : 0.197 REMARK 3 R VALUE (WORKING SET) : 0.195 REMARK 3 FREE R VALUE : 0.238 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.030 REMARK 3 FREE R VALUE TEST SET COUNT : 3566 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT (IN BINS). REMARK 3 BIN RESOLUTION RANGE COMPL. NWORK NFREE RWORK RFREE REMARK 3 1 48.2000 - 7.3000 0.99 2749 127 0.1850 0.2019 REMARK 3 2 7.3000 - 5.8000 0.98 2679 171 0.2030 0.2203 REMARK 3 3 5.8000 - 5.0700 0.97 2661 148 0.1644 0.2090 REMARK 3 4 5.0700 - 4.6000 0.99 2726 153 0.1395 0.1762 REMARK 3 5 4.6000 - 4.2700 0.99 2725 149 0.1356 0.1650 REMARK 3 6 4.2700 - 4.0200 0.98 2705 142 0.1606 0.2264 REMARK 3 7 4.0200 - 3.8200 0.98 2693 154 0.1771 0.2239 REMARK 3 8 3.8200 - 3.6500 0.98 2685 141 0.1939 0.2261 REMARK 3 9 3.6500 - 3.5100 0.98 2675 139 0.1991 0.2377 REMARK 3 10 3.5100 - 3.3900 0.98 2658 133 0.1998 0.2624 REMARK 3 11 3.3900 - 3.2900 0.98 2768 134 0.2034 0.2638 REMARK 3 12 3.2900 - 3.1900 0.98 2685 131 0.2091 0.2393 REMARK 3 13 3.1900 - 3.1100 0.98 2708 142 0.2188 0.2719 REMARK 3 14 3.1100 - 3.0300 0.97 2702 131 0.2241 0.2810 REMARK 3 15 3.0300 - 2.9600 0.97 2630 139 0.2260 0.3018 REMARK 3 16 2.9600 - 2.9000 0.98 2694 150 0.2388 0.2660 REMARK 3 17 2.9000 - 2.8400 0.98 2693 147 0.2267 0.2741 REMARK 3 18 2.8400 - 2.7900 0.98 2690 155 0.2279 0.2610 REMARK 3 19 2.7900 - 2.7400 0.98 2697 127 0.2370 0.2958 REMARK 3 20 2.7400 - 2.6900 0.98 2741 144 0.2502 0.3330 REMARK 3 21 2.6900 - 2.6500 0.98 2685 131 0.2478 0.2862 REMARK 3 22 2.6500 - 2.6100 0.97 2700 130 0.2437 0.2793 REMARK 3 23 2.6100 - 2.5700 0.97 2668 144 0.2663 0.3298 REMARK 3 24 2.5700 - 2.5300 0.98 2678 151 0.2610 0.3169 REMARK 3 25 2.5300 - 2.5000 0.98 2668 153 0.2780 0.3317 REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : FLAT BULK SOLVENT MODEL REMARK 3 SOLVENT RADIUS : 1.11 REMARK 3 SHRINKAGE RADIUS : 0.90 REMARK 3 K_SOL : NULL REMARK 3 B_SOL : NULL REMARK 3 REMARK 3 ERROR ESTIMATES. REMARK 3 COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED) : 0.330 REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 25.540 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 54.05 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL REMARK 3 REMARK 3 TWINNING INFORMATION. REMARK 3 FRACTION: NULL REMARK 3 OPERATOR: NULL REMARK 3 REMARK 3 DEVIATIONS FROM IDEAL VALUES. REMARK 3 RMSD COUNT REMARK 3 BOND : NULL NULL REMARK 3 ANGLE : NULL NULL REMARK 3 CHIRALITY : NULL NULL REMARK 3 PLANARITY : NULL NULL REMARK 3 DIHEDRAL : NULL NULL REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : 20 REMARK 3 TLS GROUP : 1 REMARK 3 SELECTION: ( CHAIN A AND RESID 2:131 ) REMARK 3 ORIGIN FOR THE GROUP (A): -17.579 21.401 -70.576 REMARK 3 T TENSOR REMARK 3 T11: 0.5545 T22: 0.3848 REMARK 3 T33: 0.2706 T12: -0.1856 REMARK 3 T13: 0.0073 T23: 0.0355 REMARK 3 L TENSOR REMARK 3 L11: 1.2738 L22: 1.7172 REMARK 3 L33: 3.3255 L12: 0.2801 REMARK 3 L13: -0.0504 L23: 0.6119 REMARK 3 S TENSOR REMARK 3 S11: 0.0041 S12: 0.1568 S13: 0.0853 REMARK 3 S21: -0.3447 S22: 0.0873 S23: -0.1805 REMARK 3 S31: -0.3403 S32: 0.0645 S33: -0.0824 REMARK 3 TLS GROUP : 2 REMARK 3 SELECTION: ( CHAIN A AND RESID 135:232 ) REMARK 3 ORIGIN FOR THE GROUP (A): -49.151 1.193 -72.148 REMARK 3 T TENSOR REMARK 3 T11: 0.7026 T22: 0.5081 REMARK 3 T33: 0.4992 T12: -0.2636 REMARK 3 T13: -0.1778 T23: 0.0146 REMARK 3 L TENSOR REMARK 3 L11: 3.2167 L22: 3.8392 REMARK 3 L33: 3.1593 L12: 1.2564 REMARK 3 L13: -0.6304 L23: 0.6137 REMARK 3 S TENSOR REMARK 3 S11: -0.1124 S12: 0.1146 S13: 0.4231 REMARK 3 S21: -0.3970 S22: 0.0837 S23: 0.9298 REMARK 3 S31: 0.2907 S32: -0.5101 S33: 0.0834 REMARK 3 TLS GROUP : 3 REMARK 3 SELECTION: ( CHAIN B AND RESID 1:106 ) REMARK 3 ORIGIN FOR THE GROUP (A): -21.210 15.618 -50.801 REMARK 3 T TENSOR REMARK 3 T11: 0.5610 T22: 0.3701 REMARK 3 T33: 0.2210 T12: -0.2095 REMARK 3 T13: -0.0851 T23: 0.0249 REMARK 3 L TENSOR REMARK 3 L11: 3.0808 L22: 1.6778 REMARK 3 L33: 2.4590 L12: 0.2723 REMARK 3 L13: -2.3098 L23: 0.1554 REMARK 3 S TENSOR REMARK 3 S11: -0.0048 S12: -0.1314 S13: -0.0616 REMARK 3 S21: 0.2118 S22: 0.0486 S23: -0.1386 REMARK 3 S31: 0.2834 S32: 0.0016 S33: -0.0200 REMARK 3 TLS GROUP : 4 REMARK 3 SELECTION: ( CHAIN B AND RESID 110:214 ) REMARK 3 ORIGIN FOR THE GROUP (A): -42.509 -10.466 -62.930 REMARK 3 T TENSOR REMARK 3 T11: 0.7086 T22: 0.5037 REMARK 3 T33: 0.3251 T12: -0.3051 REMARK 3 T13: -0.0446 T23: -0.0067 REMARK 3 L TENSOR REMARK 3 L11: 1.6128 L22: 3.7196 REMARK 3 L33: 2.7077 L12: 0.9555 REMARK 3 L13: -0.6558 L23: 0.2033 REMARK 3 S TENSOR REMARK 3 S11: -0.0099 S12: -0.0043 S13: -0.1017 REMARK 3 S21: -0.2635 S22: 0.0122 S23: 0.2171 REMARK 3 S31: 0.2069 S32: -0.1335 S33: -0.0030 REMARK 3 TLS GROUP : 5 REMARK 3 SELECTION: ( CHAIN C AND RESID 812:825 ) REMARK 3 ORIGIN FOR THE GROUP (A): -1.073 28.702 -66.374 REMARK 3 T TENSOR REMARK 3 T11: 0.6332 T22: 0.6653 REMARK 3 T33: 0.5217 T12: -0.4288 REMARK 3 T13: 0.1366 T23: -0.0126 REMARK 3 L TENSOR REMARK 3 L11: 2.6807 L22: 1.9308 REMARK 3 L33: 1.0294 L12: -1.0004 REMARK 3 L13: 0.4467 L23: 0.5870 REMARK 3 S TENSOR REMARK 3 S11: -0.1465 S12: 0.6147 S13: -0.2320 REMARK 3 S21: -1.2421 S22: 0.4895 S23: -1.2215 REMARK 3 S31: 0.2372 S32: 0.6623 S33: 0.1474 REMARK 3 TLS GROUP : 6 REMARK 3 SELECTION: ( CHAIN D AND RESID 1:131 ) REMARK 3 ORIGIN FOR THE GROUP (A): -12.034 -1.076 -12.071 REMARK 3 T TENSOR REMARK 3 T11: 0.4597 T22: 0.3897 REMARK 3 T33: 0.6691 T12: -0.1653 REMARK 3 T13: 0.0125 T23: 0.0445 REMARK 3 L TENSOR REMARK 3 L11: 4.8180 L22: 2.4738 REMARK 3 L33: 3.4046 L12: 1.5657 REMARK 3 L13: -0.1138 L23: -1.0221 REMARK 3 S TENSOR REMARK 3 S11: 0.1017 S12: 0.1639 S13: 0.8071 REMARK 3 S21: 0.0519 S22: 0.1462 S23: 0.5302 REMARK 3 S31: -0.2371 S32: -0.2024 S33: -0.2051 REMARK 3 TLS GROUP : 7 REMARK 3 SELECTION: ( CHAIN D AND RESID 135:232 ) REMARK 3 ORIGIN FOR THE GROUP (A): -40.508 -23.383 -3.425 REMARK 3 T TENSOR REMARK 3 T11: 0.4646 T22: 0.3808 REMARK 3 T33: 0.8586 T12: -0.1158 REMARK 3 T13: 0.1431 T23: -0.0942 REMARK 3 L TENSOR REMARK 3 L11: 4.2850 L22: 3.2876 REMARK 3 L33: 8.0648 L12: 1.7499 REMARK 3 L13: -0.8195 L23: -1.1211 REMARK 3 S TENSOR REMARK 3 S11: 0.3467 S12: -0.2228 S13: 1.0593 REMARK 3 S21: 0.5516 S22: -0.0585 S23: 1.1139 REMARK 3 S31: -0.6614 S32: -0.3296 S33: -0.2556 REMARK 3 TLS GROUP : 8 REMARK 3 SELECTION: ( CHAIN E AND RESID 1:106 ) REMARK 3 ORIGIN FOR THE GROUP (A): -3.962 -14.928 1.330 REMARK 3 T TENSOR REMARK 3 T11: 0.6794 T22: 0.5690 REMARK 3 T33: 0.4326 T12: -0.3312 REMARK 3 T13: -0.1412 T23: -0.0102 REMARK 3 L TENSOR REMARK 3 L11: 2.6054 L22: 2.3098 REMARK 3 L33: 2.2223 L12: 0.7442 REMARK 3 L13: 0.1310 L23: -0.0906 REMARK 3 S TENSOR REMARK 3 S11: 0.5587 S12: -0.6209 S13: -0.0246 REMARK 3 S21: 0.4413 S22: -0.2678 S23: -0.0428 REMARK 3 S31: 0.2221 S32: -0.0056 S33: -0.2918 REMARK 3 TLS GROUP : 9 REMARK 3 SELECTION: ( CHAIN E AND RESID 110:215 ) REMARK 3 ORIGIN FOR THE GROUP (A): -31.736 -36.795 -5.482 REMARK 3 T TENSOR REMARK 3 T11: 0.4125 T22: 0.4045 REMARK 3 T33: 0.3930 T12: -0.1926 REMARK 3 T13: -0.0104 T23: 0.0247 REMARK 3 L TENSOR REMARK 3 L11: 3.7197 L22: 4.8439 REMARK 3 L33: 3.5685 L12: 2.1246 REMARK 3 L13: 0.3220 L23: 0.1839 REMARK 3 S TENSOR REMARK 3 S11: 0.1561 S12: -0.3125 S13: 0.0961 REMARK 3 S21: 0.1500 S22: -0.3022 S23: 0.3191 REMARK 3 S31: -0.0891 S32: 0.0906 S33: 0.1546 REMARK 3 TLS GROUP : 10 REMARK 3 SELECTION: ( CHAIN F AND RESID 812:825 ) REMARK 3 ORIGIN FOR THE GROUP (A): 4.582 6.051 -16.113 REMARK 3 T TENSOR REMARK 3 T11: 0.5592 T22: 0.4082 REMARK 3 T33: 0.5511 T12: -0.3031 REMARK 3 T13: -0.1152 T23: 0.0596 REMARK 3 L TENSOR REMARK 3 L11: 5.4046 L22: 4.2072 REMARK 3 L33: 3.8833 L12: 1.2405 REMARK 3 L13: -1.9738 L23: 1.3269 REMARK 3 S TENSOR REMARK 3 S11: -0.5212 S12: 0.2968 S13: 0.6740 REMARK 3 S21: -0.8545 S22: 0.4532 S23: 0.5351 REMARK 3 S31: -0.2181 S32: 0.2491 S33: 0.0463 REMARK 3 TLS GROUP : 11 REMARK 3 SELECTION: ( CHAIN G AND RESID 1:131 ) REMARK 3 ORIGIN FOR THE GROUP (A): -43.618 11.731 -25.332 REMARK 3 T TENSOR REMARK 3 T11: 0.4282 T22: 0.3336 REMARK 3 T33: 0.2403 T12: -0.1263 REMARK 3 T13: -0.0077 T23: -0.0104 REMARK 3 L TENSOR REMARK 3 L11: 2.0297 L22: 2.6634 REMARK 3 L33: 1.8908 L12: 1.4503 REMARK 3 L13: -0.5879 L23: -0.0766 REMARK 3 S TENSOR REMARK 3 S11: -0.1348 S12: 0.1934 S13: -0.0505 REMARK 3 S21: -0.1994 S22: 0.0911 S23: 0.1889 REMARK 3 S31: 0.3599 S32: -0.1643 S33: 0.0296 REMARK 3 TLS GROUP : 12 REMARK 3 SELECTION: ( CHAIN G AND RESID 135:234 ) REMARK 3 ORIGIN FOR THE GROUP (A): -11.495 30.536 -20.435 REMARK 3 T TENSOR REMARK 3 T11: 0.3764 T22: 0.4493 REMARK 3 T33: 0.3380 T12: -0.1534 REMARK 3 T13: 0.0505 T23: -0.0854 REMARK 3 L TENSOR REMARK 3 L11: 4.8023 L22: 2.2605 REMARK 3 L33: 3.4403 L12: 0.2408 REMARK 3 L13: 1.9652 L23: 0.0395 REMARK 3 S TENSOR REMARK 3 S11: -0.1818 S12: 0.2606 S13: -0.1527 REMARK 3 S21: -0.1269 S22: 0.2181 S23: -0.5514 REMARK 3 S31: -0.1140 S32: 0.5735 S33: -0.0162 REMARK 3 TLS GROUP : 13 REMARK 3 SELECTION: ( CHAIN H AND RESID 1:106 ) REMARK 3 ORIGIN FOR THE GROUP (A): -43.465 17.119 -5.053 REMARK 3 T TENSOR REMARK 3 T11: 0.4256 T22: 0.3705 REMARK 3 T33: 0.2666 T12: -0.1676 REMARK 3 T13: 0.0941 T23: -0.0531 REMARK 3 L TENSOR REMARK 3 L11: 2.7172 L22: 1.5759 REMARK 3 L33: 1.3446 L12: 0.4322 REMARK 3 L13: 1.0545 L23: -0.2267 REMARK 3 S TENSOR REMARK 3 S11: 0.0829 S12: -0.2862 S13: 0.2672 REMARK 3 S21: 0.3640 S22: -0.1703 S23: 0.1524 REMARK 3 S31: 0.1168 S32: -0.0985 S33: 0.0821 REMARK 3 TLS GROUP : 14 REMARK 3 SELECTION: ( CHAIN H AND RESID 110:215 ) REMARK 3 ORIGIN FOR THE GROUP (A): -19.009 42.242 -12.103 REMARK 3 T TENSOR REMARK 3 T11: 0.4371 T22: 0.4783 REMARK 3 T33: 0.2588 T12: -0.1973 REMARK 3 T13: -0.0664 T23: -0.0409 REMARK 3 L TENSOR REMARK 3 L11: 2.4736 L22: 4.2244 REMARK 3 L33: 2.7851 L12: 1.4321 REMARK 3 L13: 0.4620 L23: 0.2217 REMARK 3 S TENSOR REMARK 3 S11: 0.0591 S12: -0.0978 S13: 0.2725 REMARK 3 S21: 0.1803 S22: -0.0656 S23: 0.0490 REMARK 3 S31: -0.3290 S32: 0.3527 S33: 0.0294 REMARK 3 TLS GROUP : 15 REMARK 3 SELECTION: ( CHAIN I AND RESID 812:824 ) REMARK 3 ORIGIN FOR THE GROUP (A): -60.608 4.960 -25.761 REMARK 3 T TENSOR REMARK 3 T11: 0.5682 T22: 0.6942 REMARK 3 T33: 0.3682 T12: -0.3377 REMARK 3 T13: -0.0858 T23: 0.0753 REMARK 3 L TENSOR REMARK 3 L11: 8.2672 L22: 4.5196 REMARK 3 L33: 2.9649 L12: -5.5211 REMARK 3 L13: 3.3061 L23: -3.2054 REMARK 3 S TENSOR REMARK 3 S11: -0.1576 S12: 0.6946 S13: -0.2672 REMARK 3 S21: -0.8369 S22: 0.6160 S23: 1.2653 REMARK 3 S31: -0.0093 S32: 0.2013 S33: -0.2704 REMARK 3 TLS GROUP : 16 REMARK 3 SELECTION: ( CHAIN J AND RESID 2:131 ) REMARK 3 ORIGIN FOR THE GROUP (A): -33.541 -46.316 -61.182 REMARK 3 T TENSOR REMARK 3 T11: 0.6728 T22: 0.5182 REMARK 3 T33: 1.2953 T12: -0.1666 REMARK 3 T13: 0.0035 T23: -0.0636 REMARK 3 L TENSOR REMARK 3 L11: 2.0445 L22: 3.5573 REMARK 3 L33: 1.6246 L12: 1.2431 REMARK 3 L13: 0.4443 L23: 0.9160 REMARK 3 S TENSOR REMARK 3 S11: 0.1951 S12: 0.0478 S13: -1.6471 REMARK 3 S21: 0.0255 S22: -0.0128 S23: -1.5224 REMARK 3 S31: 0.2779 S32: 0.1204 S33: -0.1771 REMARK 3 TLS GROUP : 17 REMARK 3 SELECTION: ( CHAIN J AND RESID 135:233 ) REMARK 3 ORIGIN FOR THE GROUP (A): -7.969 -22.679 -46.958 REMARK 3 T TENSOR REMARK 3 T11: 0.8420 T22: 0.4906 REMARK 3 T33: 1.2253 T12: -0.1437 REMARK 3 T13: -0.3579 T23: 0.1100 REMARK 3 L TENSOR REMARK 3 L11: 1.6165 L22: 0.6079 REMARK 3 L33: 0.6462 L12: 0.6909 REMARK 3 L13: -0.1889 L23: -0.4090 REMARK 3 S TENSOR REMARK 3 S11: 0.6141 S12: -0.1537 S13: -0.7842 REMARK 3 S21: 0.5067 S22: 0.0013 S23: -1.1903 REMARK 3 S31: 0.5645 S32: -0.1865 S33: -0.6080 REMARK 3 TLS GROUP : 18 REMARK 3 SELECTION: ( CHAIN K AND RESID 1:131 ) REMARK 3 ORIGIN FOR THE GROUP (A): -38.528 -29.478 -49.642 REMARK 3 T TENSOR REMARK 3 T11: 0.8426 T22: 0.6903 REMARK 3 T33: 0.5911 T12: -0.3915 REMARK 3 T13: -0.0808 T23: 0.0523 REMARK 3 L TENSOR REMARK 3 L11: 2.0190 L22: 2.7767 REMARK 3 L33: 0.3895 L12: 2.2996 REMARK 3 L13: 0.7527 L23: 0.3487 REMARK 3 S TENSOR REMARK 3 S11: 0.8955 S12: -0.8346 S13: -0.3591 REMARK 3 S21: 0.7675 S22: -0.7593 S23: -0.5830 REMARK 3 S31: 0.2055 S32: -0.1579 S33: -0.1432 REMARK 3 TLS GROUP : 19 REMARK 3 SELECTION: ( CHAIN K AND RESID 135:214 ) REMARK 3 ORIGIN FOR THE GROUP (A): -18.496 -9.599 -51.263 REMARK 3 T TENSOR REMARK 3 T11: 0.5797 T22: 0.5424 REMARK 3 T33: 0.4753 T12: -0.1680 REMARK 3 T13: -0.1078 T23: -0.0021 REMARK 3 L TENSOR REMARK 3 L11: 2.3831 L22: 8.3255 REMARK 3 L33: 3.9306 L12: 2.7221 REMARK 3 L13: 0.3908 L23: 0.4500 REMARK 3 S TENSOR REMARK 3 S11: 0.3337 S12: -0.4460 S13: -0.4625 REMARK 3 S21: -0.1729 S22: -0.3931 S23: -0.6800 REMARK 3 S31: 0.5117 S32: -0.5115 S33: 0.0715 REMARK 3 TLS GROUP : 20 REMARK 3 SELECTION: ( CHAIN L AND RESID 813:824 ) REMARK 3 ORIGIN FOR THE GROUP (A): -47.274 -54.439 -69.202 REMARK 3 T TENSOR REMARK 3 T11: 0.2795 T22: 0.2490 REMARK 3 T33: 1.6279 T12: -0.1295 REMARK 3 T13: -0.0428 T23: -0.4028 REMARK 3 L TENSOR REMARK 3 L11: 1.8350 L22: 3.6089 REMARK 3 L33: 8.1212 L12: 1.5389 REMARK 3 L13: 0.6136 L23: 4.6036 REMARK 3 S TENSOR REMARK 3 S11: 0.9718 S12: 0.0924 S13: -0.5035 REMARK 3 S21: 0.5711 S22: 0.2407 S23: -0.5811 REMARK 3 S31: 0.0184 S32: -0.1564 S33: -0.6994 REMARK 3 REMARK 3 NCS DETAILS REMARK 3 NUMBER OF NCS GROUPS : 3 REMARK 3 NCS GROUP : 1 REMARK 3 NCS OPERATOR : 1 REMARK 3 REFERENCE SELECTION: (CHAIN A AND ((RESID 2 THROUGH 3 AND REMARK 3 (NAME N OR NAME CA OR NAME C OR NAME O OR REMARK 3 NAME CB )) OR RESID 4 OR (RESID 5 AND REMARK 3 (NAME N OR NAME CA OR NAME C OR NAME O OR REMARK 3 NAME CB )) OR RESID 6 OR (RESID 7 AND REMARK 3 (NAME N OR NAME CA OR NAME C OR NAME O OR REMARK 3 NAME CB )) OR RESID 8 THROUGH 11 OR REMARK 3 (RESID 12 THROUGH 13 AND (NAME N OR NAME REMARK 3 CA OR NAME C OR NAME O OR NAME CB )) OR REMARK 3 RESID 14 THROUGH 15 OR RESID 17 THROUGH REMARK 3 18 OR (RESID 19 THROUGH 21 AND (NAME N OR REMARK 3 NAME CA OR NAME C OR NAME O OR NAME CB )) REMARK 3 OR RESID 22 OR (RESID 23 AND (NAME N OR REMARK 3 NAME CA OR NAME C OR NAME O OR NAME CB )) REMARK 3 OR RESID 24 OR (RESID 25 AND (NAME N OR REMARK 3 NAME CA OR NAME C OR NAME O OR NAME CB )) REMARK 3 OR RESID 26 THROUGH 29 OR RESID 31 REMARK 3 THROUGH 32 OR (RESID 33 AND (NAME N OR REMARK 3 NAME CA OR NAME C OR NAME O OR NAME CB )) REMARK 3 OR RESID 34 THROUGH 55 OR (RESID 56 AND REMARK 3 (NAME N OR NAME CA OR NAME C OR NAME O OR REMARK 3 NAME CB )) OR RESID 57 THROUGH 62 OR REMARK 3 (RESID 63 THROUGH 64 AND (NAME N OR NAME REMARK 3 CA OR NAME C OR NAME O OR NAME CB )) OR REMARK 3 (RESID 67 AND (NAME N OR NAME CA OR NAME REMARK 3 C OR NAME O OR NAME CB )) OR RESID 68 REMARK 3 THROUGH 70 OR (RESID 71 AND (NAME N OR REMARK 3 NAME CA OR NAME C OR NAME O OR NAME CB )) REMARK 3 OR RESID 72 THROUGH 75 OR RESID 77 OR REMARK 3 (RESID 78 AND (NAME N OR NAME CA OR NAME REMARK 3 C OR NAME O OR NAME CB )) OR RESID 79 REMARK 3 THROUGH 81 OR (RESID 82 AND (NAME N OR REMARK 3 NAME CA OR NAME C OR NAME O OR NAME CB )) REMARK 3 OR RESID 83 THROUGH 86 OR (RESID 87 AND REMARK 3 (NAME N OR NAME CA OR NAME C OR NAME O OR REMARK 3 NAME CB )) OR RESID 89 THROUGH 105 OR REMARK 3 (RESID 106 AND (NAME N OR NAME CA OR NAME REMARK 3 C OR NAME O OR NAME CB )) OR RESID 107 REMARK 3 THROUGH 111 OR (RESID 112 AND (NAME N OR REMARK 3 NAME CA OR NAME C OR NAME O OR NAME CB )) REMARK 3 OR RESID 113 THROUGH 120 OR (RESID 121 REMARK 3 AND (NAME N OR NAME CA OR NAME C OR NAME REMARK 3 O OR NAME CB )) OR RESID 122 THROUGH 123 REMARK 3 OR (RESID 124 AND (NAME N OR NAME CA OR REMARK 3 NAME C OR NAME O OR NAME CB )) OR RESID REMARK 3 125 THROUGH 131 OR (RESID 132 THROUGH 134 REMARK 3 AND (NAME N OR NAME CA OR NAME C OR NAME REMARK 3 O OR NAME CB )) OR RESID 135 OR RESID 137 REMARK 3 THROUGH 145 OR (RESID 146 THROUGH 147 AND REMARK 3 (NAME N OR NAME CA OR NAME C OR NAME O OR REMARK 3 NAME CB )) OR RESID 153 THROUGH 160 OR REMARK 3 (RESID 161 THROUGH 162 AND (NAME N OR REMARK 3 NAME CA OR NAME C OR NAME O OR NAME CB )) REMARK 3 OR RESID 163 THROUGH 169 OR (RESID 170 REMARK 3 THROUGH 172 AND (NAME N OR NAME CA OR REMARK 3 NAME C OR NAME O OR NAME CB )) OR RESID REMARK 3 173 THROUGH 174 OR (RESID 175 AND (NAME N REMARK 3 OR NAME CA OR NAME C OR NAME O OR NAME CB REMARK 3 )) OR (RESID 176 THROUGH 178 AND (NAME N REMARK 3 OR NAME CA OR NAME C OR NAME O OR NAME CB REMARK 3 )) OR RESID 179 THROUGH 189 OR (RESID 190 REMARK 3 THROUGH 191 AND (NAME N OR NAME CA OR REMARK 3 NAME C OR NAME O OR NAME CB )) OR RESID REMARK 3 192 THROUGH 193 OR (RESID 194 AND (NAME N REMARK 3 OR NAME CA OR NAME C OR NAME O OR NAME CB REMARK 3 )) OR RESID 195 THROUGH 202 OR (RESID 203 REMARK 3 AND (NAME N OR NAME CA OR NAME C OR NAME REMARK 3 O OR NAME CB )) OR RESID 204 THROUGH 205 REMARK 3 OR (RESID 206 THROUGH 208 AND (NAME N OR REMARK 3 NAME CA OR NAME C OR NAME O OR NAME CB )) REMARK 3 OR (RESID 209 THROUGH 212 AND (NAME N OR REMARK 3 NAME CA OR NAME C OR NAME O OR NAME CB )) REMARK 3 OR RESID 213 OR (RESID 214 AND (NAME N OR REMARK 3 NAME CA OR NAME C OR NAME O OR NAME CB )) REMARK 3 OR RESID 215 THROUGH 216 OR (RESID 217 REMARK 3 AND (NAME N OR NAME CA OR NAME C OR NAME REMARK 3 O OR NAME CB )) OR RESID 219 THROUGH 223 REMARK 3 OR (RESID 224 THROUGH 226 AND (NAME N OR REMARK 3 NAME CA OR NAME C OR NAME O OR NAME CB )) REMARK 3 OR RESID 227 OR (RESID 228 THROUGH 229 REMARK 3 AND (NAME N OR NAME CA OR NAME C OR NAME REMARK 3 O OR NAME CB )) OR RESID 230 OR (RESID REMARK 3 231 AND (NAME N OR NAME CA OR NAME C OR REMARK 3 NAME O OR NAME CB )) OR RESID 232)) REMARK 3 SELECTION : (CHAIN D AND ((RESID 2 THROUGH 3 AND REMARK 3 (NAME N OR NAME CA OR NAME C OR NAME O OR REMARK 3 NAME CB )) OR RESID 4 OR (RESID 5 AND REMARK 3 (NAME N OR NAME CA OR NAME C OR NAME O OR REMARK 3 NAME CB )) OR RESID 6 THROUGH 11 OR REMARK 3 (RESID 12 THROUGH 13 AND (NAME N OR NAME REMARK 3 CA OR NAME C OR NAME O OR NAME CB )) OR REMARK 3 RESID 14 THROUGH 15 OR RESID 17 THROUGH REMARK 3 19 OR (RESID 20 THROUGH 21 AND (NAME N OR REMARK 3 NAME CA OR NAME C OR NAME O OR NAME CB )) REMARK 3 OR RESID 22 OR (RESID 23 AND (NAME N OR REMARK 3 NAME CA OR NAME C OR NAME O OR NAME CB )) REMARK 3 OR RESID 24 THROUGH 29 OR RESID 31 REMARK 3 THROUGH 32 OR (RESID 33 AND (NAME N OR REMARK 3 NAME CA OR NAME C OR NAME O OR NAME CB )) REMARK 3 OR RESID 34 THROUGH 55 OR (RESID 56 AND REMARK 3 (NAME N OR NAME CA OR NAME C OR NAME O OR REMARK 3 NAME CB )) OR RESID 57 THROUGH 62 OR REMARK 3 (RESID 63 THROUGH 64 AND (NAME N OR NAME REMARK 3 CA OR NAME C OR NAME O OR NAME CB )) OR REMARK 3 (RESID 67 AND (NAME N OR NAME CA OR NAME REMARK 3 C OR NAME O OR NAME CB )) OR RESID 68 REMARK 3 THROUGH 70 OR (RESID 71 AND (NAME N OR REMARK 3 NAME CA OR NAME C OR NAME O OR NAME CB )) REMARK 3 OR RESID 72 THROUGH 75 OR RESID 77 OR REMARK 3 (RESID 78 AND (NAME N OR NAME CA OR NAME REMARK 3 C OR NAME O OR NAME CB )) OR RESID 79 REMARK 3 THROUGH 81 OR (RESID 82 AND (NAME N OR REMARK 3 NAME CA OR NAME C OR NAME O OR NAME CB )) REMARK 3 OR RESID 83 THROUGH 86 OR (RESID 87 AND REMARK 3 (NAME N OR NAME CA OR NAME C OR NAME O OR REMARK 3 NAME CB )) OR RESID 89 THROUGH 111 OR REMARK 3 (RESID 112 AND (NAME N OR NAME CA OR NAME REMARK 3 C OR NAME O OR NAME CB )) OR RESID 113 REMARK 3 THROUGH 120 OR (RESID 121 AND (NAME N OR REMARK 3 NAME CA OR NAME C OR NAME O OR NAME CB )) REMARK 3 OR RESID 122 THROUGH 123 OR (RESID 124 REMARK 3 AND (NAME N OR NAME CA OR NAME C OR NAME REMARK 3 O OR NAME CB )) OR RESID 125 THROUGH 133 REMARK 3 OR (RESID 134 AND (NAME N OR NAME CA OR REMARK 3 NAME C OR NAME O OR NAME CB )) OR RESID REMARK 3 135 OR RESID 137 THROUGH 147 OR RESID 153 REMARK 3 THROUGH 160 OR (RESID 161 THROUGH 162 AND REMARK 3 (NAME N OR NAME CA OR NAME C OR NAME O OR REMARK 3 NAME CB )) OR RESID 163 THROUGH 170 OR REMARK 3 (RESID 171 THROUGH 172 AND (NAME N OR REMARK 3 NAME CA OR NAME C OR NAME O OR NAME CB )) REMARK 3 OR RESID 173 THROUGH 174 OR (RESID 175 REMARK 3 AND (NAME N OR NAME CA OR NAME C OR NAME REMARK 3 O OR NAME CB )) OR (RESID 176 THROUGH 178 REMARK 3 AND (NAME N OR NAME CA OR NAME C OR NAME REMARK 3 O OR NAME CB )) OR RESID 179 OR (RESID REMARK 3 180 AND (NAME N OR NAME CA OR NAME C OR REMARK 3 NAME O OR NAME CB )) OR RESID 181 THROUGH REMARK 3 189 OR (RESID 190 THROUGH 191 AND (NAME N REMARK 3 OR NAME CA OR NAME C OR NAME O OR NAME CB REMARK 3 )) OR RESID 192 THROUGH 193 OR (RESID 194 REMARK 3 AND (NAME N OR NAME CA OR NAME C OR NAME REMARK 3 O OR NAME CB )) OR RESID 195 THROUGH 202 REMARK 3 OR (RESID 203 AND (NAME N OR NAME CA OR REMARK 3 NAME C OR NAME O OR NAME CB )) OR RESID REMARK 3 204 THROUGH 211 OR (RESID 212 AND (NAME N REMARK 3 OR NAME CA OR NAME C OR NAME O OR NAME CB REMARK 3 )) OR RESID 213 OR (RESID 214 AND (NAME N REMARK 3 OR NAME CA OR NAME C OR NAME O OR NAME CB REMARK 3 )) OR RESID 215 THROUGH 216 OR (RESID 217 REMARK 3 AND (NAME N OR NAME CA OR NAME C OR NAME REMARK 3 O OR NAME CB )) OR RESID 219 THROUGH 225 REMARK 3 OR (RESID 226 AND (NAME N OR NAME CA OR REMARK 3 NAME C OR NAME O OR NAME CB )) OR RESID REMARK 3 227 OR (RESID 228 THROUGH 229 AND (NAME N REMARK 3 OR NAME CA OR NAME C OR NAME O OR NAME CB REMARK 3 )) OR RESID 230 OR (RESID 231 AND (NAME N REMARK 3 OR NAME CA OR NAME C OR NAME O OR NAME CB REMARK 3 )) OR RESID 232)) REMARK 3 ATOM PAIRS NUMBER : 3476 REMARK 3 RMSD : NULL REMARK 3 NCS OPERATOR : 2 REMARK 3 REFERENCE SELECTION: (CHAIN A AND ((RESID 2 THROUGH 3 AND REMARK 3 (NAME N OR NAME CA OR NAME C OR NAME O OR REMARK 3 NAME CB )) OR RESID 4 OR (RESID 5 AND REMARK 3 (NAME N OR NAME CA OR NAME C OR NAME O OR REMARK 3 NAME CB )) OR RESID 6 OR (RESID 7 AND REMARK 3 (NAME N OR NAME CA OR NAME C OR NAME O OR REMARK 3 NAME CB )) OR RESID 8 THROUGH 11 OR REMARK 3 (RESID 12 THROUGH 13 AND (NAME N OR NAME REMARK 3 CA OR NAME C OR NAME O OR NAME CB )) OR REMARK 3 RESID 14 THROUGH 15 OR RESID 17 THROUGH REMARK 3 18 OR (RESID 19 THROUGH 21 AND (NAME N OR REMARK 3 NAME CA OR NAME C OR NAME O OR NAME CB )) REMARK 3 OR RESID 22 OR (RESID 23 AND (NAME N OR REMARK 3 NAME CA OR NAME C OR NAME O OR NAME CB )) REMARK 3 OR RESID 24 OR (RESID 25 AND (NAME N OR REMARK 3 NAME CA OR NAME C OR NAME O OR NAME CB )) REMARK 3 OR RESID 26 THROUGH 29 OR RESID 31 REMARK 3 THROUGH 32 OR (RESID 33 AND (NAME N OR REMARK 3 NAME CA OR NAME C OR NAME O OR NAME CB )) REMARK 3 OR RESID 34 THROUGH 55 OR (RESID 56 AND REMARK 3 (NAME N OR NAME CA OR NAME C OR NAME O OR REMARK 3 NAME CB )) OR RESID 57 THROUGH 62 OR REMARK 3 (RESID 63 THROUGH 64 AND (NAME N OR NAME REMARK 3 CA OR NAME C OR NAME O OR NAME CB )) OR REMARK 3 (RESID 67 AND (NAME N OR NAME CA OR NAME REMARK 3 C OR NAME O OR NAME CB )) OR RESID 68 REMARK 3 THROUGH 70 OR (RESID 71 AND (NAME N OR REMARK 3 NAME CA OR NAME C OR NAME O OR NAME CB )) REMARK 3 OR RESID 72 THROUGH 75 OR RESID 77 OR REMARK 3 (RESID 78 AND (NAME N OR NAME CA OR NAME REMARK 3 C OR NAME O OR NAME CB )) OR RESID 79 REMARK 3 THROUGH 81 OR (RESID 82 AND (NAME N OR REMARK 3 NAME CA OR NAME C OR NAME O OR NAME CB )) REMARK 3 OR RESID 83 THROUGH 86 OR (RESID 87 AND REMARK 3 (NAME N OR NAME CA OR NAME C OR NAME O OR REMARK 3 NAME CB )) OR RESID 89 THROUGH 105 OR REMARK 3 (RESID 106 AND (NAME N OR NAME CA OR NAME REMARK 3 C OR NAME O OR NAME CB )) OR RESID 107 REMARK 3 THROUGH 111 OR (RESID 112 AND (NAME N OR REMARK 3 NAME CA OR NAME C OR NAME O OR NAME CB )) REMARK 3 OR RESID 113 THROUGH 120 OR (RESID 121 REMARK 3 AND (NAME N OR NAME CA OR NAME C OR NAME REMARK 3 O OR NAME CB )) OR RESID 122 THROUGH 123 REMARK 3 OR (RESID 124 AND (NAME N OR NAME CA OR REMARK 3 NAME C OR NAME O OR NAME CB )) OR RESID REMARK 3 125 THROUGH 131 OR (RESID 132 THROUGH 134 REMARK 3 AND (NAME N OR NAME CA OR NAME C OR NAME REMARK 3 O OR NAME CB )) OR RESID 135 OR RESID 137 REMARK 3 THROUGH 145 OR (RESID 146 THROUGH 147 AND REMARK 3 (NAME N OR NAME CA OR NAME C OR NAME O OR REMARK 3 NAME CB )) OR RESID 153 THROUGH 160 OR REMARK 3 (RESID 161 THROUGH 162 AND (NAME N OR REMARK 3 NAME CA OR NAME C OR NAME O OR NAME CB )) REMARK 3 OR RESID 163 THROUGH 169 OR (RESID 170 REMARK 3 THROUGH 172 AND (NAME N OR NAME CA OR REMARK 3 NAME C OR NAME O OR NAME CB )) OR RESID REMARK 3 173 THROUGH 174 OR (RESID 175 AND (NAME N REMARK 3 OR NAME CA OR NAME C OR NAME O OR NAME CB REMARK 3 )) OR (RESID 176 THROUGH 178 AND (NAME N REMARK 3 OR NAME CA OR NAME C OR NAME O OR NAME CB REMARK 3 )) OR RESID 179 THROUGH 189 OR (RESID 190 REMARK 3 THROUGH 191 AND (NAME N OR NAME CA OR REMARK 3 NAME C OR NAME O OR NAME CB )) OR RESID REMARK 3 192 THROUGH 193 OR (RESID 194 AND (NAME N REMARK 3 OR NAME CA OR NAME C OR NAME O OR NAME CB REMARK 3 )) OR RESID 195 THROUGH 202 OR (RESID 203 REMARK 3 AND (NAME N OR NAME CA OR NAME C OR NAME REMARK 3 O OR NAME CB )) OR RESID 204 THROUGH 205 REMARK 3 OR (RESID 206 THROUGH 208 AND (NAME N OR REMARK 3 NAME CA OR NAME C OR NAME O OR NAME CB )) REMARK 3 OR (RESID 209 THROUGH 212 AND (NAME N OR REMARK 3 NAME CA OR NAME C OR NAME O OR NAME CB )) REMARK 3 OR RESID 213 OR (RESID 214 AND (NAME N OR REMARK 3 NAME CA OR NAME C OR NAME O OR NAME CB )) REMARK 3 OR RESID 215 THROUGH 216 OR (RESID 217 REMARK 3 AND (NAME N OR NAME CA OR NAME C OR NAME REMARK 3 O OR NAME CB )) OR RESID 219 THROUGH 223 REMARK 3 OR (RESID 224 THROUGH 226 AND (NAME N OR REMARK 3 NAME CA OR NAME C OR NAME O OR NAME CB )) REMARK 3 OR RESID 227 OR (RESID 228 THROUGH 229 REMARK 3 AND (NAME N OR NAME CA OR NAME C OR NAME REMARK 3 O OR NAME CB )) OR RESID 230 OR (RESID REMARK 3 231 AND (NAME N OR NAME CA OR NAME C OR REMARK 3 NAME O OR NAME CB )) OR RESID 232)) REMARK 3 SELECTION : (CHAIN G AND ((RESID 2 THROUGH 3 AND REMARK 3 (NAME N OR NAME CA OR NAME C OR NAME O OR REMARK 3 NAME CB )) OR RESID 4 OR (RESID 5 AND REMARK 3 (NAME N OR NAME CA OR NAME C OR NAME O OR REMARK 3 NAME CB )) OR RESID 6 OR (RESID 7 AND REMARK 3 (NAME N OR NAME CA OR NAME C OR NAME O OR REMARK 3 NAME CB )) OR RESID 8 THROUGH 11 OR REMARK 3 (RESID 12 THROUGH 13 AND (NAME N OR NAME REMARK 3 CA OR NAME C OR NAME O OR NAME CB )) OR REMARK 3 RESID 14 THROUGH 15 OR RESID 17 THROUGH REMARK 3 18 OR (RESID 19 THROUGH 21 AND (NAME N OR REMARK 3 NAME CA OR NAME C OR NAME O OR NAME CB )) REMARK 3 OR RESID 22 OR (RESID 23 AND (NAME N OR REMARK 3 NAME CA OR NAME C OR NAME O OR NAME CB )) REMARK 3 OR RESID 24 OR (RESID 25 AND (NAME N OR REMARK 3 NAME CA OR NAME C OR NAME O OR NAME CB )) REMARK 3 OR RESID 26 THROUGH 29 OR RESID 31 REMARK 3 THROUGH 32 OR (RESID 33 AND (NAME N OR REMARK 3 NAME CA OR NAME C OR NAME O OR NAME CB )) REMARK 3 OR RESID 34 THROUGH 55 OR (RESID 56 AND REMARK 3 (NAME N OR NAME CA OR NAME C OR NAME O OR REMARK 3 NAME CB )) OR RESID 57 THROUGH 62 OR REMARK 3 (RESID 63 THROUGH 64 AND (NAME N OR NAME REMARK 3 CA OR NAME C OR NAME O OR NAME CB )) OR REMARK 3 (RESID 67 AND (NAME N OR NAME CA OR NAME REMARK 3 C OR NAME O OR NAME CB )) OR RESID 68 REMARK 3 THROUGH 70 OR (RESID 71 AND (NAME N OR REMARK 3 NAME CA OR NAME C OR NAME O OR NAME CB )) REMARK 3 OR RESID 72 THROUGH 75 OR RESID 77 OR REMARK 3 (RESID 78 AND (NAME N OR NAME CA OR NAME REMARK 3 C OR NAME O OR NAME CB )) OR RESID 79 REMARK 3 THROUGH 81 OR (RESID 82 AND (NAME N OR REMARK 3 NAME CA OR NAME C OR NAME O OR NAME CB )) REMARK 3 OR RESID 83 THROUGH 86 OR (RESID 87 AND REMARK 3 (NAME N OR NAME CA OR NAME C OR NAME O OR REMARK 3 NAME CB )) OR RESID 89 THROUGH 105 OR REMARK 3 (RESID 106 AND (NAME N OR NAME CA OR NAME REMARK 3 C OR NAME O OR NAME CB )) OR RESID 107 REMARK 3 THROUGH 120 OR (RESID 121 AND (NAME N OR REMARK 3 NAME CA OR NAME C OR NAME O OR NAME CB )) REMARK 3 OR RESID 122 THROUGH 123 OR (RESID 124 REMARK 3 AND (NAME N OR NAME CA OR NAME C OR NAME REMARK 3 O OR NAME CB )) OR RESID 125 THROUGH 131 REMARK 3 OR (RESID 132 THROUGH 134 AND (NAME N OR REMARK 3 NAME CA OR NAME C OR NAME O OR NAME CB )) REMARK 3 OR RESID 135 OR RESID 137 THROUGH 160 OR REMARK 3 (RESID 161 THROUGH 162 AND (NAME N OR REMARK 3 NAME CA OR NAME C OR NAME O OR NAME CB )) REMARK 3 OR RESID 163 THROUGH 169 OR (RESID 170 REMARK 3 THROUGH 172 AND (NAME N OR NAME CA OR REMARK 3 NAME C OR NAME O OR NAME CB )) OR RESID REMARK 3 173 THROUGH 174 OR (RESID 175 AND (NAME N REMARK 3 OR NAME CA OR NAME C OR NAME O OR NAME CB REMARK 3 )) OR (RESID 176 THROUGH 178 AND (NAME N REMARK 3 OR NAME CA OR NAME C OR NAME O OR NAME CB REMARK 3 )) OR RESID 179 OR (RESID 180 AND (NAME N REMARK 3 OR NAME CA OR NAME C OR NAME O OR NAME CB REMARK 3 )) OR RESID 181 THROUGH 189 OR (RESID 190 REMARK 3 THROUGH 191 AND (NAME N OR NAME CA OR REMARK 3 NAME C OR NAME O OR NAME CB )) OR RESID REMARK 3 192 THROUGH 193 OR (RESID 194 AND (NAME N REMARK 3 OR NAME CA OR NAME C OR NAME O OR NAME CB REMARK 3 )) OR RESID 195 THROUGH 202 OR (RESID 203 REMARK 3 AND (NAME N OR NAME CA OR NAME C OR NAME REMARK 3 O OR NAME CB )) OR RESID 204 THROUGH 205 REMARK 3 OR (RESID 206 THROUGH 208 AND (NAME N OR REMARK 3 NAME CA OR NAME C OR NAME O OR NAME CB )) REMARK 3 OR RESID 209 OR (RESID 210 THROUGH 212 REMARK 3 AND (NAME N OR NAME CA OR NAME C OR NAME REMARK 3 O OR NAME CB )) OR RESID 213 OR (RESID REMARK 3 214 AND (NAME N OR NAME CA OR NAME C OR REMARK 3 NAME O OR NAME CB )) OR RESID 215 THROUGH REMARK 3 216 OR (RESID 217 AND (NAME N OR NAME CA REMARK 3 OR NAME C OR NAME O OR NAME CB )) OR REMARK 3 RESID 219 THROUGH 222 OR (RESID 223 REMARK 3 THROUGH 226 AND (NAME N OR NAME CA OR REMARK 3 NAME C OR NAME O OR NAME CB )) OR RESID REMARK 3 227 OR (RESID 228 THROUGH 229 AND (NAME N REMARK 3 OR NAME CA OR NAME C OR NAME O OR NAME CB REMARK 3 )) OR RESID 230 OR (RESID 231 AND (NAME N REMARK 3 OR NAME CA OR NAME C OR NAME O OR NAME CB REMARK 3 )) OR RESID 232)) REMARK 3 ATOM PAIRS NUMBER : 3476 REMARK 3 RMSD : NULL REMARK 3 NCS OPERATOR : 3 REMARK 3 REFERENCE SELECTION: (CHAIN A AND ((RESID 2 THROUGH 3 AND REMARK 3 (NAME N OR NAME CA OR NAME C OR NAME O OR REMARK 3 NAME CB )) OR RESID 4 OR (RESID 5 AND REMARK 3 (NAME N OR NAME CA OR NAME C OR NAME O OR REMARK 3 NAME CB )) OR RESID 6 OR (RESID 7 AND REMARK 3 (NAME N OR NAME CA OR NAME C OR NAME O OR REMARK 3 NAME CB )) OR RESID 8 THROUGH 11 OR REMARK 3 (RESID 12 THROUGH 13 AND (NAME N OR NAME REMARK 3 CA OR NAME C OR NAME O OR NAME CB )) OR REMARK 3 RESID 14 THROUGH 15 OR RESID 17 THROUGH REMARK 3 18 OR (RESID 19 THROUGH 21 AND (NAME N OR REMARK 3 NAME CA OR NAME C OR NAME O OR NAME CB )) REMARK 3 OR RESID 22 OR (RESID 23 AND (NAME N OR REMARK 3 NAME CA OR NAME C OR NAME O OR NAME CB )) REMARK 3 OR RESID 24 OR (RESID 25 AND (NAME N OR REMARK 3 NAME CA OR NAME C OR NAME O OR NAME CB )) REMARK 3 OR RESID 26 THROUGH 29 OR RESID 31 REMARK 3 THROUGH 32 OR (RESID 33 AND (NAME N OR REMARK 3 NAME CA OR NAME C OR NAME O OR NAME CB )) REMARK 3 OR RESID 34 THROUGH 55 OR (RESID 56 AND REMARK 3 (NAME N OR NAME CA OR NAME C OR NAME O OR REMARK 3 NAME CB )) OR RESID 57 THROUGH 62 OR REMARK 3 (RESID 63 THROUGH 64 AND (NAME N OR NAME REMARK 3 CA OR NAME C OR NAME O OR NAME CB )) OR REMARK 3 (RESID 67 AND (NAME N OR NAME CA OR NAME REMARK 3 C OR NAME O OR NAME CB )) OR RESID 68 REMARK 3 THROUGH 70 OR (RESID 71 AND (NAME N OR REMARK 3 NAME CA OR NAME C OR NAME O OR NAME CB )) REMARK 3 OR RESID 72 THROUGH 75 OR RESID 77 OR REMARK 3 (RESID 78 AND (NAME N OR NAME CA OR NAME REMARK 3 C OR NAME O OR NAME CB )) OR RESID 79 REMARK 3 THROUGH 81 OR (RESID 82 AND (NAME N OR REMARK 3 NAME CA OR NAME C OR NAME O OR NAME CB )) REMARK 3 OR RESID 83 THROUGH 86 OR (RESID 87 AND REMARK 3 (NAME N OR NAME CA OR NAME C OR NAME O OR REMARK 3 NAME CB )) OR RESID 89 THROUGH 105 OR REMARK 3 (RESID 106 AND (NAME N OR NAME CA OR NAME REMARK 3 C OR NAME O OR NAME CB )) OR RESID 107 REMARK 3 THROUGH 111 OR (RESID 112 AND (NAME N OR REMARK 3 NAME CA OR NAME C OR NAME O OR NAME CB )) REMARK 3 OR RESID 113 THROUGH 120 OR (RESID 121 REMARK 3 AND (NAME N OR NAME CA OR NAME C OR NAME REMARK 3 O OR NAME CB )) OR RESID 122 THROUGH 123 REMARK 3 OR (RESID 124 AND (NAME N OR NAME CA OR REMARK 3 NAME C OR NAME O OR NAME CB )) OR RESID REMARK 3 125 THROUGH 131 OR (RESID 132 THROUGH 134 REMARK 3 AND (NAME N OR NAME CA OR NAME C OR NAME REMARK 3 O OR NAME CB )) OR RESID 135 OR RESID 137 REMARK 3 THROUGH 145 OR (RESID 146 THROUGH 147 AND REMARK 3 (NAME N OR NAME CA OR NAME C OR NAME O OR REMARK 3 NAME CB )) OR RESID 153 THROUGH 160 OR REMARK 3 (RESID 161 THROUGH 162 AND (NAME N OR REMARK 3 NAME CA OR NAME C OR NAME O OR NAME CB )) REMARK 3 OR RESID 163 THROUGH 169 OR (RESID 170 REMARK 3 THROUGH 172 AND (NAME N OR NAME CA OR REMARK 3 NAME C OR NAME O OR NAME CB )) OR RESID REMARK 3 173 THROUGH 174 OR (RESID 175 AND (NAME N REMARK 3 OR NAME CA OR NAME C OR NAME O OR NAME CB REMARK 3 )) OR (RESID 176 THROUGH 178 AND (NAME N REMARK 3 OR NAME CA OR NAME C OR NAME O OR NAME CB REMARK 3 )) OR RESID 179 THROUGH 189 OR (RESID 190 REMARK 3 THROUGH 191 AND (NAME N OR NAME CA OR REMARK 3 NAME C OR NAME O OR NAME CB )) OR RESID REMARK 3 192 THROUGH 193 OR (RESID 194 AND (NAME N REMARK 3 OR NAME CA OR NAME C OR NAME O OR NAME CB REMARK 3 )) OR RESID 195 THROUGH 202 OR (RESID 203 REMARK 3 AND (NAME N OR NAME CA OR NAME C OR NAME REMARK 3 O OR NAME CB )) OR RESID 204 THROUGH 205 REMARK 3 OR (RESID 206 THROUGH 208 AND (NAME N OR REMARK 3 NAME CA OR NAME C OR NAME O OR NAME CB )) REMARK 3 OR (RESID 209 THROUGH 212 AND (NAME N OR REMARK 3 NAME CA OR NAME C OR NAME O OR NAME CB )) REMARK 3 OR RESID 213 OR (RESID 214 AND (NAME N OR REMARK 3 NAME CA OR NAME C OR NAME O OR NAME CB )) REMARK 3 OR RESID 215 THROUGH 216 OR (RESID 217 REMARK 3 AND (NAME N OR NAME CA OR NAME C OR NAME REMARK 3 O OR NAME CB )) OR RESID 219 THROUGH 223 REMARK 3 OR (RESID 224 THROUGH 226 AND (NAME N OR REMARK 3 NAME CA OR NAME C OR NAME O OR NAME CB )) REMARK 3 OR RESID 227 OR (RESID 228 THROUGH 229 REMARK 3 AND (NAME N OR NAME CA OR NAME C OR NAME REMARK 3 O OR NAME CB )) OR RESID 230 OR (RESID REMARK 3 231 AND (NAME N OR NAME CA OR NAME C OR REMARK 3 NAME O OR NAME CB )) OR RESID 232)) REMARK 3 SELECTION : (CHAIN J AND (RESID 2 THROUGH 29 OR RESID REMARK 3 31 THROUGH 105 OR (RESID 106 AND (NAME N REMARK 3 OR NAME CA OR NAME C OR NAME O OR NAME CB REMARK 3 )) OR RESID 107 THROUGH 111 OR (RESID 112 REMARK 3 AND (NAME N OR NAME CA OR NAME C OR NAME REMARK 3 O OR NAME CB )) OR RESID 113 THROUGH 131 REMARK 3 OR (RESID 132 THROUGH 134 AND (NAME N OR REMARK 3 NAME CA OR NAME C OR NAME O OR NAME CB )) REMARK 3 OR RESID 135 OR RESID 137 THROUGH 145 OR REMARK 3 (RESID 146 THROUGH 147 AND (NAME N OR REMARK 3 NAME CA OR NAME C OR NAME O OR NAME CB )) REMARK 3 OR RESID 153 THROUGH 169 OR (RESID 170 REMARK 3 THROUGH 172 AND (NAME N OR NAME CA OR REMARK 3 NAME C OR NAME O OR NAME CB )) OR RESID REMARK 3 173 THROUGH 179 OR (RESID 180 AND (NAME N REMARK 3 OR NAME CA OR NAME C OR NAME O OR NAME CB REMARK 3 )) OR RESID 181 THROUGH 217 OR RESID 219 REMARK 3 OR (RESID 220 AND (NAME N OR NAME CA OR REMARK 3 NAME C OR NAME O OR NAME CB )) OR RESID REMARK 3 221 THROUGH 223 OR (RESID 224 THROUGH 226 REMARK 3 AND (NAME N OR NAME CA OR NAME C OR NAME REMARK 3 O OR NAME CB )) OR RESID 227 THROUGH 232)) REMARK 3 ATOM PAIRS NUMBER : 3476 REMARK 3 RMSD : NULL REMARK 3 NCS GROUP : 2 REMARK 3 NCS OPERATOR : 1 REMARK 3 REFERENCE SELECTION: (CHAIN B AND (RESID 1 THROUGH 11 OR REMARK 3 (RESID 12 THROUGH 13 AND (NAME N OR NAME REMARK 3 CA OR NAME C OR NAME O OR NAME CB )) OR REMARK 3 RESID 14 THROUGH 17 OR (RESID 18 THROUGH REMARK 3 19 AND (NAME N OR NAME CA OR NAME C OR REMARK 3 NAME O OR NAME CB )) OR RESID 20 THROUGH REMARK 3 23 OR (RESID 24 THROUGH 25 AND (NAME N OR REMARK 3 NAME CA OR NAME C OR NAME O OR NAME CB )) REMARK 3 OR RESID 26 THROUGH 38 OR (RESID 39 AND REMARK 3 (NAME N OR NAME CA OR NAME C OR NAME O OR REMARK 3 NAME CB )) OR RESID 40 THROUGH 53 OR REMARK 3 (RESID 54 AND (NAME N OR NAME CA OR NAME REMARK 3 C OR NAME O OR NAME CB )) OR RESID 55 REMARK 3 THROUGH 57 OR (RESID 58 AND (NAME N OR REMARK 3 NAME CA OR NAME C OR NAME O OR NAME CB )) REMARK 3 OR RESID 59 THROUGH 75 OR (RESID 76 REMARK 3 THROUGH 78 AND (NAME N OR NAME CA OR NAME REMARK 3 C OR NAME O OR NAME CB )) OR RESID 79 REMARK 3 THROUGH 80 OR (RESID 81 AND (NAME N OR REMARK 3 NAME CA OR NAME C OR NAME O OR NAME CB )) REMARK 3 OR RESID 82 THROUGH 105 OR RESID 107 REMARK 3 THROUGH 122 OR (RESID 123 AND (NAME N OR REMARK 3 NAME CA OR NAME C OR NAME O OR NAME CB )) REMARK 3 OR RESID 124 THROUGH 127 OR (RESID 128 REMARK 3 AND (NAME N OR NAME CA OR NAME C OR NAME REMARK 3 O OR NAME CB )) OR RESID 129 THROUGH 142 REMARK 3 OR (RESID 143 THROUGH 145 AND (NAME N OR REMARK 3 NAME CA OR NAME C OR NAME O OR NAME CB )) REMARK 3 OR RESID 146 THROUGH 168 OR (RESID 169 REMARK 3 THROUGH 170 AND (NAME N OR NAME CA OR REMARK 3 NAME C OR NAME O OR NAME CB )) OR RESID REMARK 3 171 THROUGH 183 OR (RESID 184 THROUGH 185 REMARK 3 AND (NAME N OR NAME CA OR NAME C OR NAME REMARK 3 O OR NAME CB )) OR RESID 186 THROUGH 190 REMARK 3 OR (RESID 191 AND (NAME N OR NAME CA OR REMARK 3 NAME C OR NAME O OR NAME CB )) OR RESID REMARK 3 192 THROUGH 199 OR (RESID 200 AND (NAME N REMARK 3 OR NAME CA OR NAME C OR NAME O OR NAME CB REMARK 3 )) OR RESID 201 THROUGH 202 OR (RESID 203 REMARK 3 AND (NAME N OR NAME CA OR NAME C OR NAME REMARK 3 O OR NAME CB )) OR RESID 204 THROUGH 214)) REMARK 3 SELECTION : (CHAIN E AND (RESID 1 THROUGH 11 OR REMARK 3 (RESID 12 THROUGH 13 AND (NAME N OR NAME REMARK 3 CA OR NAME C OR NAME O OR NAME CB )) OR REMARK 3 RESID 14 THROUGH 17 OR (RESID 18 THROUGH REMARK 3 19 AND (NAME N OR NAME CA OR NAME C OR REMARK 3 NAME O OR NAME CB )) OR RESID 20 THROUGH REMARK 3 23 OR (RESID 24 THROUGH 25 AND (NAME N OR REMARK 3 NAME CA OR NAME C OR NAME O OR NAME CB )) REMARK 3 OR RESID 26 THROUGH 38 OR (RESID 39 AND REMARK 3 (NAME N OR NAME CA OR NAME C OR NAME O OR REMARK 3 NAME CB )) OR RESID 40 THROUGH 53 OR REMARK 3 (RESID 54 AND (NAME N OR NAME CA OR NAME REMARK 3 C OR NAME O OR NAME CB )) OR RESID 55 REMARK 3 THROUGH 75 OR (RESID 76 THROUGH 78 AND REMARK 3 (NAME N OR NAME CA OR NAME C OR NAME O OR REMARK 3 NAME CB )) OR RESID 79 THROUGH 105 OR REMARK 3 RESID 107 THROUGH 122 OR (RESID 123 AND REMARK 3 (NAME N OR NAME CA OR NAME C OR NAME O OR REMARK 3 NAME CB )) OR RESID 124 THROUGH 143 OR REMARK 3 (RESID 144 THROUGH 145 AND (NAME N OR REMARK 3 NAME CA OR NAME C OR NAME O OR NAME CB )) REMARK 3 OR RESID 146 THROUGH 154 OR (RESID 155 REMARK 3 AND (NAME N OR NAME CA OR NAME C OR NAME REMARK 3 O OR NAME CB )) OR RESID 156 THROUGH 168 REMARK 3 OR (RESID 169 THROUGH 170 AND (NAME N OR REMARK 3 NAME CA OR NAME C OR NAME O OR NAME CB )) REMARK 3 OR RESID 171 THROUGH 190 OR (RESID 191 REMARK 3 AND (NAME N OR NAME CA OR NAME C OR NAME REMARK 3 O OR NAME CB )) OR RESID 192 THROUGH 202 REMARK 3 OR (RESID 203 AND (NAME N OR NAME CA OR REMARK 3 NAME C OR NAME O OR NAME CB )) OR RESID REMARK 3 204 THROUGH 214)) REMARK 3 ATOM PAIRS NUMBER : 3748 REMARK 3 RMSD : NULL REMARK 3 NCS OPERATOR : 2 REMARK 3 REFERENCE SELECTION: (CHAIN B AND (RESID 1 THROUGH 11 OR REMARK 3 (RESID 12 THROUGH 13 AND (NAME N OR NAME REMARK 3 CA OR NAME C OR NAME O OR NAME CB )) OR REMARK 3 RESID 14 THROUGH 17 OR (RESID 18 THROUGH REMARK 3 19 AND (NAME N OR NAME CA OR NAME C OR REMARK 3 NAME O OR NAME CB )) OR RESID 20 THROUGH REMARK 3 23 OR (RESID 24 THROUGH 25 AND (NAME N OR REMARK 3 NAME CA OR NAME C OR NAME O OR NAME CB )) REMARK 3 OR RESID 26 THROUGH 38 OR (RESID 39 AND REMARK 3 (NAME N OR NAME CA OR NAME C OR NAME O OR REMARK 3 NAME CB )) OR RESID 40 THROUGH 53 OR REMARK 3 (RESID 54 AND (NAME N OR NAME CA OR NAME REMARK 3 C OR NAME O OR NAME CB )) OR RESID 55 REMARK 3 THROUGH 57 OR (RESID 58 AND (NAME N OR REMARK 3 NAME CA OR NAME C OR NAME O OR NAME CB )) REMARK 3 OR RESID 59 THROUGH 75 OR (RESID 76 REMARK 3 THROUGH 78 AND (NAME N OR NAME CA OR NAME REMARK 3 C OR NAME O OR NAME CB )) OR RESID 79 REMARK 3 THROUGH 80 OR (RESID 81 AND (NAME N OR REMARK 3 NAME CA OR NAME C OR NAME O OR NAME CB )) REMARK 3 OR RESID 82 THROUGH 105 OR RESID 107 REMARK 3 THROUGH 122 OR (RESID 123 AND (NAME N OR REMARK 3 NAME CA OR NAME C OR NAME O OR NAME CB )) REMARK 3 OR RESID 124 THROUGH 127 OR (RESID 128 REMARK 3 AND (NAME N OR NAME CA OR NAME C OR NAME REMARK 3 O OR NAME CB )) OR RESID 129 THROUGH 142 REMARK 3 OR (RESID 143 THROUGH 145 AND (NAME N OR REMARK 3 NAME CA OR NAME C OR NAME O OR NAME CB )) REMARK 3 OR RESID 146 THROUGH 168 OR (RESID 169 REMARK 3 THROUGH 170 AND (NAME N OR NAME CA OR REMARK 3 NAME C OR NAME O OR NAME CB )) OR RESID REMARK 3 171 THROUGH 183 OR (RESID 184 THROUGH 185 REMARK 3 AND (NAME N OR NAME CA OR NAME C OR NAME REMARK 3 O OR NAME CB )) OR RESID 186 THROUGH 190 REMARK 3 OR (RESID 191 AND (NAME N OR NAME CA OR REMARK 3 NAME C OR NAME O OR NAME CB )) OR RESID REMARK 3 192 THROUGH 199 OR (RESID 200 AND (NAME N REMARK 3 OR NAME CA OR NAME C OR NAME O OR NAME CB REMARK 3 )) OR RESID 201 THROUGH 202 OR (RESID 203 REMARK 3 AND (NAME N OR NAME CA OR NAME C OR NAME REMARK 3 O OR NAME CB )) OR RESID 204 THROUGH 214)) REMARK 3 SELECTION : (CHAIN H AND ((RESID 1 AND (NAME N OR REMARK 3 NAME CA OR NAME C OR NAME O OR NAME CB )) REMARK 3 OR RESID 2 THROUGH 6 OR (RESID 7 AND REMARK 3 (NAME N OR NAME CA OR NAME C OR NAME O OR REMARK 3 NAME CB )) OR RESID 8 THROUGH 11 OR REMARK 3 (RESID 12 THROUGH 13 AND (NAME N OR NAME REMARK 3 CA OR NAME C OR NAME O OR NAME CB )) OR REMARK 3 RESID 14 THROUGH 17 OR (RESID 18 THROUGH REMARK 3 19 AND (NAME N OR NAME CA OR NAME C OR REMARK 3 NAME O OR NAME CB )) OR RESID 20 THROUGH REMARK 3 23 OR (RESID 24 THROUGH 25 AND (NAME N OR REMARK 3 NAME CA OR NAME C OR NAME O OR NAME CB )) REMARK 3 OR RESID 26 THROUGH 38 OR (RESID 39 AND REMARK 3 (NAME N OR NAME CA OR NAME C OR NAME O OR REMARK 3 NAME CB )) OR RESID 40 THROUGH 53 OR REMARK 3 (RESID 54 AND (NAME N OR NAME CA OR NAME REMARK 3 C OR NAME O OR NAME CB )) OR RESID 55 REMARK 3 THROUGH 57 OR (RESID 58 AND (NAME N OR REMARK 3 NAME CA OR NAME C OR NAME O OR NAME CB )) REMARK 3 OR RESID 59 THROUGH 75 OR (RESID 76 REMARK 3 THROUGH 78 AND (NAME N OR NAME CA OR NAME REMARK 3 C OR NAME O OR NAME CB )) OR RESID 79 REMARK 3 THROUGH 80 OR (RESID 81 AND (NAME N OR REMARK 3 NAME CA OR NAME C OR NAME O OR NAME CB )) REMARK 3 OR RESID 82 THROUGH 105 OR RESID 107 REMARK 3 THROUGH 122 OR (RESID 123 AND (NAME N OR REMARK 3 NAME CA OR NAME C OR NAME O OR NAME CB )) REMARK 3 OR RESID 124 THROUGH 126 OR (RESID 127 REMARK 3 THROUGH 128 AND (NAME N OR NAME CA OR REMARK 3 NAME C OR NAME O OR NAME CB )) OR RESID REMARK 3 129 THROUGH 142 OR (RESID 143 THROUGH 145 REMARK 3 AND (NAME N OR NAME CA OR NAME C OR NAME REMARK 3 O OR NAME CB )) OR RESID 146 THROUGH 154 REMARK 3 OR (RESID 155 AND (NAME N OR NAME CA OR REMARK 3 NAME C OR NAME O OR NAME CB )) OR RESID REMARK 3 156 THROUGH 168 OR (RESID 169 THROUGH 170 REMARK 3 AND (NAME N OR NAME CA OR NAME C OR NAME REMARK 3 O OR NAME CB )) OR RESID 171 THROUGH 183 REMARK 3 OR (RESID 184 THROUGH 185 AND (NAME N OR REMARK 3 NAME CA OR NAME C OR NAME O OR NAME CB )) REMARK 3 OR RESID 186 THROUGH 199 OR (RESID 200 REMARK 3 AND (NAME N OR NAME CA OR NAME C OR NAME REMARK 3 O OR NAME CB )) OR RESID 201 THROUGH 202 REMARK 3 OR (RESID 203 AND (NAME N OR NAME CA OR REMARK 3 NAME C OR NAME O OR NAME CB )) OR RESID REMARK 3 204 THROUGH 214)) REMARK 3 ATOM PAIRS NUMBER : 3748 REMARK 3 RMSD : NULL REMARK 3 NCS OPERATOR : 3 REMARK 3 REFERENCE SELECTION: (CHAIN B AND (RESID 1 THROUGH 11 OR REMARK 3 (RESID 12 THROUGH 13 AND (NAME N OR NAME REMARK 3 CA OR NAME C OR NAME O OR NAME CB )) OR REMARK 3 RESID 14 THROUGH 17 OR (RESID 18 THROUGH REMARK 3 19 AND (NAME N OR NAME CA OR NAME C OR REMARK 3 NAME O OR NAME CB )) OR RESID 20 THROUGH REMARK 3 23 OR (RESID 24 THROUGH 25 AND (NAME N OR REMARK 3 NAME CA OR NAME C OR NAME O OR NAME CB )) REMARK 3 OR RESID 26 THROUGH 38 OR (RESID 39 AND REMARK 3 (NAME N OR NAME CA OR NAME C OR NAME O OR REMARK 3 NAME CB )) OR RESID 40 THROUGH 53 OR REMARK 3 (RESID 54 AND (NAME N OR NAME CA OR NAME REMARK 3 C OR NAME O OR NAME CB )) OR RESID 55 REMARK 3 THROUGH 57 OR (RESID 58 AND (NAME N OR REMARK 3 NAME CA OR NAME C OR NAME O OR NAME CB )) REMARK 3 OR RESID 59 THROUGH 75 OR (RESID 76 REMARK 3 THROUGH 78 AND (NAME N OR NAME CA OR NAME REMARK 3 C OR NAME O OR NAME CB )) OR RESID 79 REMARK 3 THROUGH 80 OR (RESID 81 AND (NAME N OR REMARK 3 NAME CA OR NAME C OR NAME O OR NAME CB )) REMARK 3 OR RESID 82 THROUGH 105 OR RESID 107 REMARK 3 THROUGH 122 OR (RESID 123 AND (NAME N OR REMARK 3 NAME CA OR NAME C OR NAME O OR NAME CB )) REMARK 3 OR RESID 124 THROUGH 127 OR (RESID 128 REMARK 3 AND (NAME N OR NAME CA OR NAME C OR NAME REMARK 3 O OR NAME CB )) OR RESID 129 THROUGH 142 REMARK 3 OR (RESID 143 THROUGH 145 AND (NAME N OR REMARK 3 NAME CA OR NAME C OR NAME O OR NAME CB )) REMARK 3 OR RESID 146 THROUGH 168 OR (RESID 169 REMARK 3 THROUGH 170 AND (NAME N OR NAME CA OR REMARK 3 NAME C OR NAME O OR NAME CB )) OR RESID REMARK 3 171 THROUGH 183 OR (RESID 184 THROUGH 185 REMARK 3 AND (NAME N OR NAME CA OR NAME C OR NAME REMARK 3 O OR NAME CB )) OR RESID 186 THROUGH 190 REMARK 3 OR (RESID 191 AND (NAME N OR NAME CA OR REMARK 3 NAME C OR NAME O OR NAME CB )) OR RESID REMARK 3 192 THROUGH 199 OR (RESID 200 AND (NAME N REMARK 3 OR NAME CA OR NAME C OR NAME O OR NAME CB REMARK 3 )) OR RESID 201 THROUGH 202 OR (RESID 203 REMARK 3 AND (NAME N OR NAME CA OR NAME C OR NAME REMARK 3 O OR NAME CB )) OR RESID 204 THROUGH 214)) REMARK 3 SELECTION : (CHAIN K AND ((RESID 1 AND (NAME N OR REMARK 3 NAME CA OR NAME C OR NAME O OR NAME CB )) REMARK 3 OR RESID 2 THROUGH 57 OR (RESID 58 AND REMARK 3 (NAME N OR NAME CA OR NAME C OR NAME O OR REMARK 3 NAME CB )) OR RESID 59 THROUGH 105 OR REMARK 3 RESID 107 THROUGH 142 OR (RESID 143 REMARK 3 THROUGH 145 AND (NAME N OR NAME CA OR REMARK 3 NAME C OR NAME O OR NAME CB )) OR RESID REMARK 3 146 THROUGH 154 OR (RESID 155 AND (NAME N REMARK 3 OR NAME CA OR NAME C OR NAME O OR NAME CB REMARK 3 )) OR RESID 156 THROUGH 214)) REMARK 3 ATOM PAIRS NUMBER : 3748 REMARK 3 RMSD : NULL REMARK 3 NCS GROUP : 3 REMARK 3 NCS OPERATOR : 1 REMARK 3 REFERENCE SELECTION: (CHAIN C AND ((RESID 813 THROUGH 814 AND REMARK 3 (NAME N OR NAME CA OR NAME C OR NAME O OR REMARK 3 NAME CB )) OR RESID 815 THROUGH 819 OR REMARK 3 (RESID 820 AND (NAME N OR NAME CA OR NAME REMARK 3 C OR NAME O OR NAME CB )) OR RESID 821 REMARK 3 THROUGH 824)) REMARK 3 SELECTION : (CHAIN F AND ((RESID 813 THROUGH 814 AND REMARK 3 (NAME N OR NAME CA OR NAME C OR NAME O OR REMARK 3 NAME CB )) OR RESID 815 THROUGH 819 OR REMARK 3 (RESID 820 AND (NAME N OR NAME CA OR NAME REMARK 3 C OR NAME O OR NAME CB )) OR RESID 821 REMARK 3 THROUGH 824)) REMARK 3 ATOM PAIRS NUMBER : 211 REMARK 3 RMSD : NULL REMARK 3 NCS OPERATOR : 2 REMARK 3 REFERENCE SELECTION: (CHAIN C AND ((RESID 813 THROUGH 814 AND REMARK 3 (NAME N OR NAME CA OR NAME C OR NAME O OR REMARK 3 NAME CB )) OR RESID 815 THROUGH 819 OR REMARK 3 (RESID 820 AND (NAME N OR NAME CA OR NAME REMARK 3 C OR NAME O OR NAME CB )) OR RESID 821 REMARK 3 THROUGH 824)) REMARK 3 SELECTION : (CHAIN I AND ((RESID 813 THROUGH 814 AND REMARK 3 (NAME N OR NAME CA OR NAME C OR NAME O OR REMARK 3 NAME CB )) OR RESID 815 THROUGH 819 OR REMARK 3 (RESID 820 AND (NAME N OR NAME CA OR NAME REMARK 3 C OR NAME O OR NAME CB )) OR RESID 821 REMARK 3 THROUGH 824)) REMARK 3 ATOM PAIRS NUMBER : 211 REMARK 3 RMSD : NULL REMARK 3 NCS OPERATOR : 3 REMARK 3 REFERENCE SELECTION: (CHAIN C AND ((RESID 813 THROUGH 814 AND REMARK 3 (NAME N OR NAME CA OR NAME C OR NAME O OR REMARK 3 NAME CB )) OR RESID 815 THROUGH 819 OR REMARK 3 (RESID 820 AND (NAME N OR NAME CA OR NAME REMARK 3 C OR NAME O OR NAME CB )) OR RESID 821 REMARK 3 THROUGH 824)) REMARK 3 SELECTION : CHAIN L REMARK 3 ATOM PAIRS NUMBER : 211 REMARK 3 RMSD : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 7SL5 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 25-OCT-21. REMARK 100 THE DEPOSITION ID IS D_1000260473. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 28-APR-21 REMARK 200 TEMPERATURE (KELVIN) : 80 REMARK 200 PH : NULL REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : ALS REMARK 200 BEAMLINE : 5.0.1 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.988 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : PIXEL REMARK 200 DETECTOR MANUFACTURER : DECTRIS PILATUS 6M REMARK 200 INTENSITY-INTEGRATION SOFTWARE : XDS REMARK 200 DATA SCALING SOFTWARE : AIMLESS REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 70930 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.500 REMARK 200 RESOLUTION RANGE LOW (A) : 48.200 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 97.8 REMARK 200 DATA REDUNDANCY : 1.800 REMARK 200 R MERGE (I) : 0.10000 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 6.9000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.50 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.56 REMARK 200 COMPLETENESS FOR SHELL (%) : NULL REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : 0.99100 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: PHENIX REMARK 200 STARTING MODEL: 7R6W REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 52.44 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.59 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 0.2 M CALCIUM ACETATE HYDRATE, 0.1 M REMARK 280 MES NAOH, PH 6.0, 25% PEG 8000, VAPOR DIFFUSION, TEMPERATURE 295K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1, 2, 3, 4 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: TRIMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 REMARK 350 BIOMOLECULE: 2 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: TRIMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: D, E, F REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 REMARK 350 BIOMOLECULE: 3 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: TRIMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: G, H, I REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 REMARK 350 BIOMOLECULE: 4 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: TRIMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: J, K, L REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 GLN A 1 REMARK 465 LYS A 148 REMARK 465 SER A 149 REMARK 465 THR A 150 REMARK 465 LYS A 233 REMARK 465 SER A 234 REMARK 465 CYS A 235 REMARK 465 CYS B 215 REMARK 465 LYS C 811 REMARK 465 LYS D 148 REMARK 465 SER D 149 REMARK 465 THR D 150 REMARK 465 SER D 151 REMARK 465 LYS D 233 REMARK 465 SER D 234 REMARK 465 CYS D 235 REMARK 465 LYS F 811 REMARK 465 LYS G 148 REMARK 465 SER G 149 REMARK 465 THR G 150 REMARK 465 SER G 151 REMARK 465 GLY G 152 REMARK 465 SER G 233A REMARK 465 LYS I 811 REMARK 465 LYS I 825 REMARK 465 GLN J 1 REMARK 465 GLU J 16 REMARK 465 LYS J 65 REMARK 465 GLY J 66 REMARK 465 LYS J 76 REMARK 465 ALA J 88 REMARK 465 SER J 234 REMARK 465 CYS J 235 REMARK 465 CYS K 215 REMARK 465 LYS L 811 REMARK 465 PRO L 812 REMARK 465 LYS L 825 REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 LYS A 65 CG CD CE NZ REMARK 470 LYS A 76 CG CD CE NZ REMARK 470 GLU A 114 CG CD OE1 OE2 REMARK 470 MET A 127 CG SD CE REMARK 470 SER A 151 OG REMARK 470 SER A 180 OG REMARK 470 SER A 207 OG REMARK 470 THR A 210 OG1 CG2 REMARK 470 GLN A 211 CG CD OE1 NE2 REMARK 470 LYS A 220 CG CD CE NZ REMARK 470 ASN A 223 CG OD1 ND2 REMARK 470 LYS A 225 CG CD CE NZ REMARK 470 ASP B 1 CG OD1 OD2 REMARK 470 SER B 7 OG REMARK 470 LYS B 42 CG CD CE NZ REMARK 470 LYS B 127 CG CD CE NZ REMARK 470 LEU B 155 CG CD1 CD2 REMARK 470 LYS B 170 CG CD CE NZ REMARK 470 LYS B 189 CG CD CE NZ REMARK 470 GLN D 1 CG CD OE1 NE2 REMARK 470 SER D 7 OG REMARK 470 GLN D 13 CG CD OE1 NE2 REMARK 470 GLU D 16 CG CD OE1 OE2 REMARK 470 ARG D 19 CG CD NE CZ NH1 NH2 REMARK 470 SER D 25 OG REMARK 470 ASN D 30 CG OD1 ND2 REMARK 470 LEU D 106 CG CD1 CD2 REMARK 470 GLU D 114 CG CD OE1 OE2 REMARK 470 MET D 127 CG SD CE REMARK 470 SER D 132 OG REMARK 470 SER D 146 OG REMARK 470 SER D 147 OG REMARK 470 THR D 170 OG1 CG2 REMARK 470 SER D 172 OG REMARK 470 SER D 206 OG REMARK 470 SER D 207 OG REMARK 470 LEU D 208 CG CD1 CD2 REMARK 470 THR D 210 OG1 CG2 REMARK 470 GLN D 211 CG CD OE1 NE2 REMARK 470 LYS D 220 CG CD CE NZ REMARK 470 ASN D 223 CG OD1 ND2 REMARK 470 THR D 224 OG1 CG2 REMARK 470 LYS D 225 CG CD CE NZ REMARK 470 ARG D 229 CG CD NE CZ NH1 NH2 REMARK 470 ASP E 1 CG OD1 OD2 REMARK 470 SER E 7 OG REMARK 470 VAL E 19 CG1 CG2 REMARK 470 LYS E 42 CG CD CE NZ REMARK 470 VAL E 58 CG1 CG2 REMARK 470 GLU E 81 CG CD OE1 OE2 REMARK 470 LYS E 127 CG CD CE NZ REMARK 470 SER E 128 OG REMARK 470 ARG E 143 CG CD NE CZ NH1 NH2 REMARK 470 LYS E 170 CG CD CE NZ REMARK 470 LYS E 184 CG CD CE NZ REMARK 470 LYS E 189 CG CD CE NZ REMARK 470 GLN E 200 CG CD OE1 NE2 REMARK 470 GLN G 1 CG CD OE1 NE2 REMARK 470 SER G 112 OG REMARK 470 GLU G 114 CG CD OE1 OE2 REMARK 470 MET G 127 CG SD CE REMARK 470 SER G 146 OG REMARK 470 SER G 147 OG REMARK 470 LYS G 220 CG CD CE NZ REMARK 470 ARG G 229 CG CD NE CZ NH1 NH2 REMARK 470 LYS G 233 CG CD CE NZ REMARK 470 LYS H 42 CG CD CE NZ REMARK 470 LYS H 170 CG CD CE NZ REMARK 470 LYS H 189 CG CD CE NZ REMARK 470 LYS H 191 CG CD CE NZ REMARK 470 LYS I 814 CG CD CE NZ REMARK 470 VAL J 2 CG1 CG2 REMARK 470 GLN J 3 CG CD OE1 NE2 REMARK 470 VAL J 5 CG1 CG2 REMARK 470 SER J 7 OG REMARK 470 VAL J 12 CG1 CG2 REMARK 470 GLN J 13 CG CD OE1 NE2 REMARK 470 ARG J 19 CG CD NE CZ NH1 NH2 REMARK 470 LEU J 20 CG CD1 CD2 REMARK 470 SER J 21 OG REMARK 470 SER J 23 OG REMARK 470 SER J 25 OG REMARK 470 ILE J 33 CG1 CG2 CD1 REMARK 470 ARG J 56 CG CD NE CZ NH1 NH2 REMARK 470 SER J 63 OG REMARK 470 VAL J 64 CG1 CG2 REMARK 470 ARG J 67 CG CD NE CZ NH1 NH2 REMARK 470 SER J 71 OG REMARK 470 THR J 78 OG1 CG2 REMARK 470 GLN J 82 CG CD OE1 NE2 REMARK 470 ARG J 87 CG CD NE CZ NH1 NH2 REMARK 470 GLU J 114 CG CD OE1 OE2 REMARK 470 ILE J 121 CG1 CG2 CD1 REMARK 470 GLN J 124 CG CD OE1 NE2 REMARK 470 MET J 127 CG SD CE REMARK 470 SER J 134 OG REMARK 470 SER J 147 OG REMARK 470 LYS J 148 CG CD CE NZ REMARK 470 SER J 149 OG REMARK 470 SER J 151 OG REMARK 470 VAL J 161 CG1 CG2 REMARK 470 LYS J 162 CG CD CE NZ REMARK 470 VAL J 171 CG1 CG2 REMARK 470 SER J 172 OG REMARK 470 SER J 175 OG REMARK 470 LEU J 178 CG CD1 CD2 REMARK 470 GLN J 190 CG CD OE1 NE2 REMARK 470 SER J 191 OG REMARK 470 LEU J 194 CG CD1 CD2 REMARK 470 VAL J 203 CG1 CG2 REMARK 470 SER J 206 OG REMARK 470 SER J 207 OG REMARK 470 LEU J 208 CG CD1 CD2 REMARK 470 THR J 210 OG1 CG2 REMARK 470 GLN J 211 CG CD OE1 NE2 REMARK 470 THR J 212 OG1 CG2 REMARK 470 ILE J 214 CG1 CG2 CD1 REMARK 470 VAL J 217 CG1 CG2 REMARK 470 ASN J 223 CG OD1 ND2 REMARK 470 LYS J 225 CG CD CE NZ REMARK 470 VAL J 226 CG1 CG2 REMARK 470 LYS J 228 CG CD CE NZ REMARK 470 ARG J 229 CG CD NE CZ NH1 NH2 REMARK 470 GLU J 231 CG CD OE1 OE2 REMARK 470 LYS J 233 CG CD CE NZ REMARK 470 SER K 7 OG REMARK 470 SER K 12 OG REMARK 470 ARG K 18 CG CD NE CZ NH1 NH2 REMARK 470 VAL K 19 CG1 CG2 REMARK 470 ARG K 24 CG CD NE CZ NH1 NH2 REMARK 470 LYS K 39 CG CD CE NZ REMARK 470 LYS K 42 CG CD CE NZ REMARK 470 LEU K 54 CG CD1 CD2 REMARK 470 SER K 76 OG REMARK 470 SER K 77 OG REMARK 470 LEU K 78 CG CD1 CD2 REMARK 470 GLU K 81 CG CD OE1 OE2 REMARK 470 ASP K 123 CG OD1 OD2 REMARK 470 LYS K 127 CG CD CE NZ REMARK 470 SER K 128 OG REMARK 470 GLU K 144 CG CD OE1 OE2 REMARK 470 SER K 169 OG REMARK 470 LYS K 170 CG CD CE NZ REMARK 470 LYS K 184 CG CD CE NZ REMARK 470 LYS K 189 CG CD CE NZ REMARK 470 LYS K 191 CG CD CE NZ REMARK 470 GLN K 200 CG CD OE1 NE2 REMARK 470 SER K 203 OG REMARK 470 SER L 813 OG REMARK 470 LYS L 814 CG CD CE NZ REMARK 470 ASP L 820 CG OD1 OD2 REMARK 480 REMARK 480 ZERO OCCUPANCY ATOM REMARK 480 THE FOLLOWING RESIDUES HAVE ATOMS MODELED WITH ZERO REMARK 480 OCCUPANCY. THE LOCATION AND PROPERTIES OF THESE ATOMS REMARK 480 MAY NOT BE RELIABLE. (M=MODEL NUMBER; RES=RESIDUE NAME; REMARK 480 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 480 M RES C SSEQI ATOMS REMARK 480 SER F 813 C REMARK 480 ARG I 815 CG REMARK 480 ARG L 815 C REMARK 480 PHE L 817 CD1 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 OH TYR D 32 OD2 ASP D 117 2.13 REMARK 500 O HOH C 901 O HOH C 903 2.14 REMARK 500 O HOH G 385 O HOH G 421 2.16 REMARK 500 O HOH G 421 O HOH H 352 2.18 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. REMARK 500 REMARK 500 DISTANCE CUTOFF: REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE REMARK 500 O HOH E 362 O HOH H 407 1545 2.13 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 VAL A 48 -65.44 -105.16 REMARK 500 SER A 146 -167.02 -100.07 REMARK 500 SER B 30 -125.90 57.37 REMARK 500 ALA B 51 -47.36 70.92 REMARK 500 ALA B 84 -174.10 -177.80 REMARK 500 ASN B 153 -4.64 72.55 REMARK 500 VAL D 48 -65.93 -106.40 REMARK 500 SER E 30 -127.61 57.33 REMARK 500 ALA E 51 -47.48 70.90 REMARK 500 ALA E 84 -173.37 -177.31 REMARK 500 ASN E 153 -4.22 72.78 REMARK 500 VAL G 48 -65.96 -105.47 REMARK 500 SER G 146 -65.29 -100.89 REMARK 500 SER H 30 -127.48 57.54 REMARK 500 ALA H 51 -46.91 71.10 REMARK 500 ALA H 84 -174.59 -176.47 REMARK 500 ASN H 153 -4.78 73.27 REMARK 500 VAL J 48 -66.07 -105.89 REMARK 500 SER J 146 -157.91 -103.07 REMARK 500 SER K 30 -126.91 57.40 REMARK 500 ALA K 51 -47.60 70.88 REMARK 500 ALA K 84 -173.22 -177.60 REMARK 500 ASN K 153 -3.64 71.92 REMARK 500 REMARK 500 REMARK: NULL REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH B 395 DISTANCE = 6.29 ANGSTROMS REMARK 525 HOH D 354 DISTANCE = 5.95 ANGSTROMS REMARK 525 HOH D 355 DISTANCE = 7.19 ANGSTROMS REMARK 525 HOH G 452 DISTANCE = 6.33 ANGSTROMS DBREF 7SL5 A 1 235 PDB 7SL5 7SL5 1 235 DBREF 7SL5 B 1 215 PDB 7SL5 7SL5 1 215 DBREF 7SL5 C 811 825 PDB 7SL5 7SL5 811 825 DBREF 7SL5 D 1 235 PDB 7SL5 7SL5 1 235 DBREF 7SL5 E 1 215 PDB 7SL5 7SL5 1 215 DBREF 7SL5 F 811 825 PDB 7SL5 7SL5 811 825 DBREF 7SL5 G 1 234 PDB 7SL5 7SL5 1 234 DBREF 7SL5 H 1 215 PDB 7SL5 7SL5 1 215 DBREF 7SL5 I 811 825 PDB 7SL5 7SL5 811 825 DBREF 7SL5 J 1 235 PDB 7SL5 7SL5 1 235 DBREF 7SL5 K 1 215 PDB 7SL5 7SL5 1 215 DBREF 7SL5 L 811 825 PDB 7SL5 7SL5 811 825 SEQRES 1 A 235 GLN VAL GLN LEU VAL GLN SER GLY GLY GLY VAL VAL GLN SEQRES 2 A 235 PRO GLY GLU SER LEU ARG LEU SER CYS SER GLY SER GLY SEQRES 3 A 235 PHE THR PHE ASN ASN TYR ILE MET HIS TRP VAL ARG GLN SEQRES 4 A 235 ALA PRO GLY GLN GLY LEU ASP TYR VAL SER GLY ILE GLY SEQRES 5 A 235 SER ASP GLY ARG ASN THR ASN TYR GLY ASP SER VAL LYS SEQRES 6 A 235 GLY ARG PHE THR ILE SER ARG ASP ASN SER LYS ASP THR SEQRES 7 A 235 LEU TYR LEU GLN MET THR SER LEU ARG ALA GLU ASP THR SEQRES 8 A 235 ALA PHE TYR TYR CYS VAL LYS GLY LEU ASP VAL LEU ARG SEQRES 9 A 235 PHE LEU ASP LEU SER THR PRO SER GLY GLU ARG LEU ASP SEQRES 10 A 235 ALA PHE ASP ILE TRP GLY GLN GLY THR MET VAL THR VAL SEQRES 11 A 235 SER SER ALA SER THR LYS GLY PRO SER VAL PHE PRO LEU SEQRES 12 A 235 ALA PRO SER SER LYS SER THR SER GLY GLY THR ALA ALA SEQRES 13 A 235 LEU GLY CYS LEU VAL LYS ASP TYR PHE PRO GLU PRO VAL SEQRES 14 A 235 THR VAL SER TRP ASN SER GLY ALA LEU THR SER GLY VAL SEQRES 15 A 235 HIS THR PHE PRO ALA VAL LEU GLN SER SER GLY LEU TYR SEQRES 16 A 235 SER LEU SER SER VAL VAL THR VAL PRO SER SER SER LEU SEQRES 17 A 235 GLY THR GLN THR TYR ILE CYS ASN VAL ASN HIS LYS PRO SEQRES 18 A 235 SER ASN THR LYS VAL ASP LYS ARG VAL GLU PRO LYS SER SEQRES 19 A 235 CYS SEQRES 1 B 215 ASP ILE VAL MET THR GLN SER PRO SER PHE LEU SER ALA SEQRES 2 B 215 SER VAL GLY ASP ARG VAL THR ILE THR CYS ARG ALA SER SEQRES 3 B 215 GLN GLY ILE SER ASN TYR LEU ALA TRP TYR GLN GLN LYS SEQRES 4 B 215 PRO GLY LYS ALA PRO HIS LEU LEU ILE TYR ALA ALA SER SEQRES 5 B 215 THR LEU GLN SER GLY VAL PRO SER ARG PHE SER GLY SER SEQRES 6 B 215 GLY SER GLY THR GLU PHE THR LEU THR ILE SER SER LEU SEQRES 7 B 215 GLN PRO GLU ASP PHE ALA THR TYR TYR CYS GLN GLN LEU SEQRES 8 B 215 ASN SER TYR PRO LEU PHE THR PHE GLY PRO GLY THR LYS SEQRES 9 B 215 VAL ASP ILE GLU ARG THR VAL ALA ALA PRO SER VAL PHE SEQRES 10 B 215 ILE PHE PRO PRO SER ASP GLU GLN LEU LYS SER GLY THR SEQRES 11 B 215 ALA SER VAL VAL CYS LEU LEU ASN ASN PHE TYR PRO ARG SEQRES 12 B 215 GLU ALA LYS VAL GLN TRP LYS VAL ASP ASN ALA LEU GLN SEQRES 13 B 215 SER GLY ASN SER GLN GLU SER VAL THR GLU GLN ASP SER SEQRES 14 B 215 LYS ASP SER THR TYR SER LEU SER SER THR LEU THR LEU SEQRES 15 B 215 SER LYS ALA ASP TYR GLU LYS HIS LYS VAL TYR ALA CYS SEQRES 16 B 215 GLU VAL THR HIS GLN GLY LEU SER SER PRO VAL THR LYS SEQRES 17 B 215 SER PHE ASN ARG GLY GLU CYS SEQRES 1 C 15 LYS PRO SER LYS ARG SER PHE ILE GLU ASP LEU LEU PHE SEQRES 2 C 15 ASN LYS SEQRES 1 D 235 GLN VAL GLN LEU VAL GLN SER GLY GLY GLY VAL VAL GLN SEQRES 2 D 235 PRO GLY GLU SER LEU ARG LEU SER CYS SER GLY SER GLY SEQRES 3 D 235 PHE THR PHE ASN ASN TYR ILE MET HIS TRP VAL ARG GLN SEQRES 4 D 235 ALA PRO GLY GLN GLY LEU ASP TYR VAL SER GLY ILE GLY SEQRES 5 D 235 SER ASP GLY ARG ASN THR ASN TYR GLY ASP SER VAL LYS SEQRES 6 D 235 GLY ARG PHE THR ILE SER ARG ASP ASN SER LYS ASP THR SEQRES 7 D 235 LEU TYR LEU GLN MET THR SER LEU ARG ALA GLU ASP THR SEQRES 8 D 235 ALA PHE TYR TYR CYS VAL LYS GLY LEU ASP VAL LEU ARG SEQRES 9 D 235 PHE LEU ASP LEU SER THR PRO SER GLY GLU ARG LEU ASP SEQRES 10 D 235 ALA PHE ASP ILE TRP GLY GLN GLY THR MET VAL THR VAL SEQRES 11 D 235 SER SER ALA SER THR LYS GLY PRO SER VAL PHE PRO LEU SEQRES 12 D 235 ALA PRO SER SER LYS SER THR SER GLY GLY THR ALA ALA SEQRES 13 D 235 LEU GLY CYS LEU VAL LYS ASP TYR PHE PRO GLU PRO VAL SEQRES 14 D 235 THR VAL SER TRP ASN SER GLY ALA LEU THR SER GLY VAL SEQRES 15 D 235 HIS THR PHE PRO ALA VAL LEU GLN SER SER GLY LEU TYR SEQRES 16 D 235 SER LEU SER SER VAL VAL THR VAL PRO SER SER SER LEU SEQRES 17 D 235 GLY THR GLN THR TYR ILE CYS ASN VAL ASN HIS LYS PRO SEQRES 18 D 235 SER ASN THR LYS VAL ASP LYS ARG VAL GLU PRO LYS SER SEQRES 19 D 235 CYS SEQRES 1 E 215 ASP ILE VAL MET THR GLN SER PRO SER PHE LEU SER ALA SEQRES 2 E 215 SER VAL GLY ASP ARG VAL THR ILE THR CYS ARG ALA SER SEQRES 3 E 215 GLN GLY ILE SER ASN TYR LEU ALA TRP TYR GLN GLN LYS SEQRES 4 E 215 PRO GLY LYS ALA PRO HIS LEU LEU ILE TYR ALA ALA SER SEQRES 5 E 215 THR LEU GLN SER GLY VAL PRO SER ARG PHE SER GLY SER SEQRES 6 E 215 GLY SER GLY THR GLU PHE THR LEU THR ILE SER SER LEU SEQRES 7 E 215 GLN PRO GLU ASP PHE ALA THR TYR TYR CYS GLN GLN LEU SEQRES 8 E 215 ASN SER TYR PRO LEU PHE THR PHE GLY PRO GLY THR LYS SEQRES 9 E 215 VAL ASP ILE GLU ARG THR VAL ALA ALA PRO SER VAL PHE SEQRES 10 E 215 ILE PHE PRO PRO SER ASP GLU GLN LEU LYS SER GLY THR SEQRES 11 E 215 ALA SER VAL VAL CYS LEU LEU ASN ASN PHE TYR PRO ARG SEQRES 12 E 215 GLU ALA LYS VAL GLN TRP LYS VAL ASP ASN ALA LEU GLN SEQRES 13 E 215 SER GLY ASN SER GLN GLU SER VAL THR GLU GLN ASP SER SEQRES 14 E 215 LYS ASP SER THR TYR SER LEU SER SER THR LEU THR LEU SEQRES 15 E 215 SER LYS ALA ASP TYR GLU LYS HIS LYS VAL TYR ALA CYS SEQRES 16 E 215 GLU VAL THR HIS GLN GLY LEU SER SER PRO VAL THR LYS SEQRES 17 E 215 SER PHE ASN ARG GLY GLU CYS SEQRES 1 F 15 LYS PRO SER LYS ARG SER PHE ILE GLU ASP LEU LEU PHE SEQRES 2 F 15 ASN LYS SEQRES 1 G 235 GLN VAL GLN LEU VAL GLN SER GLY GLY GLY VAL VAL GLN SEQRES 2 G 235 PRO GLY GLU SER LEU ARG LEU SER CYS SER GLY SER GLY SEQRES 3 G 235 PHE THR PHE ASN ASN TYR ILE MET HIS TRP VAL ARG GLN SEQRES 4 G 235 ALA PRO GLY GLN GLY LEU ASP TYR VAL SER GLY ILE GLY SEQRES 5 G 235 SER ASP GLY ARG ASN THR ASN TYR GLY ASP SER VAL LYS SEQRES 6 G 235 GLY ARG PHE THR ILE SER ARG ASP ASN SER LYS ASP THR SEQRES 7 G 235 LEU TYR LEU GLN MET THR SER LEU ARG ALA GLU ASP THR SEQRES 8 G 235 ALA PHE TYR TYR CYS VAL LYS GLY LEU ASP VAL LEU ARG SEQRES 9 G 235 PHE LEU ASP LEU SER THR PRO SER GLY GLU ARG LEU ASP SEQRES 10 G 235 ALA PHE ASP ILE TRP GLY GLN GLY THR MET VAL THR VAL SEQRES 11 G 235 SER SER ALA SER THR LYS GLY PRO SER VAL PHE PRO LEU SEQRES 12 G 235 ALA PRO SER SER LYS SER THR SER GLY GLY THR ALA ALA SEQRES 13 G 235 LEU GLY CYS LEU VAL LYS ASP TYR PHE PRO GLU PRO VAL SEQRES 14 G 235 THR VAL SER TRP ASN SER GLY ALA LEU THR SER GLY VAL SEQRES 15 G 235 HIS THR PHE PRO ALA VAL LEU GLN SER SER GLY LEU TYR SEQRES 16 G 235 SER LEU SER SER VAL VAL THR VAL PRO SER SER SER LEU SEQRES 17 G 235 GLY THR GLN THR TYR ILE CYS ASN VAL ASN HIS LYS PRO SEQRES 18 G 235 SER ASN THR LYS VAL ASP LYS ARG VAL GLU PRO LYS SER SEQRES 19 G 235 CYS SEQRES 1 H 215 ASP ILE VAL MET THR GLN SER PRO SER PHE LEU SER ALA SEQRES 2 H 215 SER VAL GLY ASP ARG VAL THR ILE THR CYS ARG ALA SER SEQRES 3 H 215 GLN GLY ILE SER ASN TYR LEU ALA TRP TYR GLN GLN LYS SEQRES 4 H 215 PRO GLY LYS ALA PRO HIS LEU LEU ILE TYR ALA ALA SER SEQRES 5 H 215 THR LEU GLN SER GLY VAL PRO SER ARG PHE SER GLY SER SEQRES 6 H 215 GLY SER GLY THR GLU PHE THR LEU THR ILE SER SER LEU SEQRES 7 H 215 GLN PRO GLU ASP PHE ALA THR TYR TYR CYS GLN GLN LEU SEQRES 8 H 215 ASN SER TYR PRO LEU PHE THR PHE GLY PRO GLY THR LYS SEQRES 9 H 215 VAL ASP ILE GLU ARG THR VAL ALA ALA PRO SER VAL PHE SEQRES 10 H 215 ILE PHE PRO PRO SER ASP GLU GLN LEU LYS SER GLY THR SEQRES 11 H 215 ALA SER VAL VAL CYS LEU LEU ASN ASN PHE TYR PRO ARG SEQRES 12 H 215 GLU ALA LYS VAL GLN TRP LYS VAL ASP ASN ALA LEU GLN SEQRES 13 H 215 SER GLY ASN SER GLN GLU SER VAL THR GLU GLN ASP SER SEQRES 14 H 215 LYS ASP SER THR TYR SER LEU SER SER THR LEU THR LEU SEQRES 15 H 215 SER LYS ALA ASP TYR GLU LYS HIS LYS VAL TYR ALA CYS SEQRES 16 H 215 GLU VAL THR HIS GLN GLY LEU SER SER PRO VAL THR LYS SEQRES 17 H 215 SER PHE ASN ARG GLY GLU CYS SEQRES 1 I 15 LYS PRO SER LYS ARG SER PHE ILE GLU ASP LEU LEU PHE SEQRES 2 I 15 ASN LYS SEQRES 1 J 235 GLN VAL GLN LEU VAL GLN SER GLY GLY GLY VAL VAL GLN SEQRES 2 J 235 PRO GLY GLU SER LEU ARG LEU SER CYS SER GLY SER GLY SEQRES 3 J 235 PHE THR PHE ASN ASN TYR ILE MET HIS TRP VAL ARG GLN SEQRES 4 J 235 ALA PRO GLY GLN GLY LEU ASP TYR VAL SER GLY ILE GLY SEQRES 5 J 235 SER ASP GLY ARG ASN THR ASN TYR GLY ASP SER VAL LYS SEQRES 6 J 235 GLY ARG PHE THR ILE SER ARG ASP ASN SER LYS ASP THR SEQRES 7 J 235 LEU TYR LEU GLN MET THR SER LEU ARG ALA GLU ASP THR SEQRES 8 J 235 ALA PHE TYR TYR CYS VAL LYS GLY LEU ASP VAL LEU ARG SEQRES 9 J 235 PHE LEU ASP LEU SER THR PRO SER GLY GLU ARG LEU ASP SEQRES 10 J 235 ALA PHE ASP ILE TRP GLY GLN GLY THR MET VAL THR VAL SEQRES 11 J 235 SER SER ALA SER THR LYS GLY PRO SER VAL PHE PRO LEU SEQRES 12 J 235 ALA PRO SER SER LYS SER THR SER GLY GLY THR ALA ALA SEQRES 13 J 235 LEU GLY CYS LEU VAL LYS ASP TYR PHE PRO GLU PRO VAL SEQRES 14 J 235 THR VAL SER TRP ASN SER GLY ALA LEU THR SER GLY VAL SEQRES 15 J 235 HIS THR PHE PRO ALA VAL LEU GLN SER SER GLY LEU TYR SEQRES 16 J 235 SER LEU SER SER VAL VAL THR VAL PRO SER SER SER LEU SEQRES 17 J 235 GLY THR GLN THR TYR ILE CYS ASN VAL ASN HIS LYS PRO SEQRES 18 J 235 SER ASN THR LYS VAL ASP LYS ARG VAL GLU PRO LYS SER SEQRES 19 J 235 CYS SEQRES 1 K 215 ASP ILE VAL MET THR GLN SER PRO SER PHE LEU SER ALA SEQRES 2 K 215 SER VAL GLY ASP ARG VAL THR ILE THR CYS ARG ALA SER SEQRES 3 K 215 GLN GLY ILE SER ASN TYR LEU ALA TRP TYR GLN GLN LYS SEQRES 4 K 215 PRO GLY LYS ALA PRO HIS LEU LEU ILE TYR ALA ALA SER SEQRES 5 K 215 THR LEU GLN SER GLY VAL PRO SER ARG PHE SER GLY SER SEQRES 6 K 215 GLY SER GLY THR GLU PHE THR LEU THR ILE SER SER LEU SEQRES 7 K 215 GLN PRO GLU ASP PHE ALA THR TYR TYR CYS GLN GLN LEU SEQRES 8 K 215 ASN SER TYR PRO LEU PHE THR PHE GLY PRO GLY THR LYS SEQRES 9 K 215 VAL ASP ILE GLU ARG THR VAL ALA ALA PRO SER VAL PHE SEQRES 10 K 215 ILE PHE PRO PRO SER ASP GLU GLN LEU LYS SER GLY THR SEQRES 11 K 215 ALA SER VAL VAL CYS LEU LEU ASN ASN PHE TYR PRO ARG SEQRES 12 K 215 GLU ALA LYS VAL GLN TRP LYS VAL ASP ASN ALA LEU GLN SEQRES 13 K 215 SER GLY ASN SER GLN GLU SER VAL THR GLU GLN ASP SER SEQRES 14 K 215 LYS ASP SER THR TYR SER LEU SER SER THR LEU THR LEU SEQRES 15 K 215 SER LYS ALA ASP TYR GLU LYS HIS LYS VAL TYR ALA CYS SEQRES 16 K 215 GLU VAL THR HIS GLN GLY LEU SER SER PRO VAL THR LYS SEQRES 17 K 215 SER PHE ASN ARG GLY GLU CYS SEQRES 1 L 15 LYS PRO SER LYS ARG SER PHE ILE GLU ASP LEU LEU PHE SEQRES 2 L 15 ASN LYS FORMUL 13 HOH *700(H2 O) HELIX 1 AA1 THR A 28 TYR A 32 5 5 HELIX 2 AA2 ASN A 74 LYS A 76 5 3 HELIX 3 AA3 ARG A 87 THR A 91 5 5 HELIX 4 AA4 ASP A 101 SER A 109 5 9 HELIX 5 AA5 SER A 206 GLN A 211 1 6 HELIX 6 AA6 GLN B 79 PHE B 83 5 5 HELIX 7 AA7 SER B 122 SER B 128 1 7 HELIX 8 AA8 LYS B 184 HIS B 190 1 7 HELIX 9 AA9 SER C 813 ASN C 824 1 12 HELIX 10 AB1 THR D 28 TYR D 32 5 5 HELIX 11 AB2 ASP D 62 LYS D 65 5 4 HELIX 12 AB3 ARG D 87 THR D 91 5 5 HELIX 13 AB4 ASP D 101 SER D 109 5 9 HELIX 14 AB5 SER D 175 ALA D 177 5 3 HELIX 15 AB6 SER D 206 GLN D 211 1 6 HELIX 16 AB7 GLN E 79 PHE E 83 5 5 HELIX 17 AB8 SER E 122 SER E 128 1 7 HELIX 18 AB9 LYS E 184 HIS E 190 1 7 HELIX 19 AC1 SER F 813 ASN F 824 1 12 HELIX 20 AC2 THR G 28 TYR G 32 5 5 HELIX 21 AC3 ASP G 62 LYS G 65 5 4 HELIX 22 AC4 ARG G 87 THR G 91 5 5 HELIX 23 AC5 ASP G 101 ARG G 104 5 4 HELIX 24 AC6 PHE G 105 THR G 110 1 6 HELIX 25 AC7 SER G 175 ALA G 177 5 3 HELIX 26 AC8 SER G 206 GLN G 211 1 6 HELIX 27 AC9 GLN H 79 PHE H 83 5 5 HELIX 28 AD1 SER H 122 GLY H 129 1 8 HELIX 29 AD2 LYS H 184 LYS H 189 1 6 HELIX 30 AD3 SER I 813 ASN I 824 1 12 HELIX 31 AD4 THR J 28 TYR J 32 5 5 HELIX 32 AD5 ASP J 101 ARG J 104 5 4 HELIX 33 AD6 PHE J 105 THR J 110 1 6 HELIX 34 AD7 SER J 175 ALA J 177 5 3 HELIX 35 AD8 SER J 206 GLN J 211 1 6 HELIX 36 AD9 GLN K 79 PHE K 83 5 5 HELIX 37 AE1 SER K 122 SER K 128 1 7 HELIX 38 AE2 LYS K 184 HIS K 190 1 7 HELIX 39 AE3 LYS L 814 ASN L 824 1 11 SHEET 1 AA1 4 GLN A 3 GLY A 8 0 SHEET 2 AA1 4 LEU A 18 SER A 25 -1 O SER A 23 N VAL A 5 SHEET 3 AA1 4 THR A 78 MET A 83 -1 O LEU A 79 N CYS A 22 SHEET 4 AA1 4 PHE A 68 ASP A 73 -1 N SER A 71 O TYR A 80 SHEET 1 AA2 6 GLY A 10 VAL A 12 0 SHEET 2 AA2 6 THR A 126 VAL A 130 1 O THR A 129 N GLY A 10 SHEET 3 AA2 6 ALA A 92 LYS A 98 -1 N TYR A 94 O THR A 126 SHEET 4 AA2 6 MET A 34 GLN A 39 -1 N VAL A 37 O TYR A 95 SHEET 5 AA2 6 LEU A 45 ILE A 51 -1 O SER A 49 N TRP A 36 SHEET 6 AA2 6 THR A 58 TYR A 60 -1 O ASN A 59 N GLY A 50 SHEET 1 AA3 4 SER A 139 LEU A 143 0 SHEET 2 AA3 4 THR A 154 TYR A 164 -1 O GLY A 158 N LEU A 143 SHEET 3 AA3 4 TYR A 195 PRO A 204 -1 O LEU A 197 N VAL A 161 SHEET 4 AA3 4 VAL A 182 THR A 184 -1 N HIS A 183 O VAL A 200 SHEET 1 AA4 4 SER A 139 LEU A 143 0 SHEET 2 AA4 4 THR A 154 TYR A 164 -1 O GLY A 158 N LEU A 143 SHEET 3 AA4 4 TYR A 195 PRO A 204 -1 O LEU A 197 N VAL A 161 SHEET 4 AA4 4 VAL A 188 LEU A 189 -1 N VAL A 188 O SER A 196 SHEET 1 AA5 3 THR A 170 TRP A 173 0 SHEET 2 AA5 3 TYR A 213 HIS A 219 -1 O ASN A 216 N SER A 172 SHEET 3 AA5 3 THR A 224 VAL A 230 -1 O THR A 224 N HIS A 219 SHEET 1 AA6 4 MET B 4 SER B 7 0 SHEET 2 AA6 4 VAL B 19 ALA B 25 -1 O ARG B 24 N THR B 5 SHEET 3 AA6 4 GLU B 70 ILE B 75 -1 O LEU B 73 N ILE B 21 SHEET 4 AA6 4 PHE B 62 SER B 67 -1 N SER B 63 O THR B 74 SHEET 1 AA7 6 PHE B 10 ALA B 13 0 SHEET 2 AA7 6 THR B 103 ILE B 107 1 O LYS B 104 N LEU B 11 SHEET 3 AA7 6 THR B 85 GLN B 90 -1 N TYR B 86 O THR B 103 SHEET 4 AA7 6 LEU B 33 GLN B 38 -1 N TYR B 36 O TYR B 87 SHEET 5 AA7 6 HIS B 45 TYR B 49 -1 O LEU B 47 N TRP B 35 SHEET 6 AA7 6 THR B 53 LEU B 54 -1 O THR B 53 N TYR B 49 SHEET 1 AA8 4 PHE B 10 ALA B 13 0 SHEET 2 AA8 4 THR B 103 ILE B 107 1 O LYS B 104 N LEU B 11 SHEET 3 AA8 4 THR B 85 GLN B 90 -1 N TYR B 86 O THR B 103 SHEET 4 AA8 4 THR B 98 PHE B 99 -1 O THR B 98 N GLN B 90 SHEET 1 AA9 4 SER B 115 PHE B 119 0 SHEET 2 AA9 4 THR B 130 PHE B 140 -1 O LEU B 136 N PHE B 117 SHEET 3 AA9 4 TYR B 174 SER B 183 -1 O LEU B 182 N ALA B 131 SHEET 4 AA9 4 SER B 160 VAL B 164 -1 N GLN B 161 O THR B 179 SHEET 1 AB1 4 ALA B 154 LEU B 155 0 SHEET 2 AB1 4 LYS B 146 VAL B 151 -1 N VAL B 151 O ALA B 154 SHEET 3 AB1 4 VAL B 192 THR B 198 -1 O GLU B 196 N GLN B 148 SHEET 4 AB1 4 VAL B 206 ASN B 211 -1 O VAL B 206 N VAL B 197 SHEET 1 AB2 4 GLN D 3 GLY D 8 0 SHEET 2 AB2 4 LEU D 18 SER D 25 -1 O SER D 23 N VAL D 5 SHEET 3 AB2 4 THR D 78 MET D 83 -1 O LEU D 79 N CYS D 22 SHEET 4 AB2 4 PHE D 68 ASP D 73 -1 N SER D 71 O TYR D 80 SHEET 1 AB3 6 GLY D 10 VAL D 12 0 SHEET 2 AB3 6 THR D 126 VAL D 130 1 O THR D 129 N VAL D 12 SHEET 3 AB3 6 ALA D 92 LYS D 98 -1 N TYR D 94 O THR D 126 SHEET 4 AB3 6 MET D 34 GLN D 39 -1 N VAL D 37 O TYR D 95 SHEET 5 AB3 6 LEU D 45 ILE D 51 -1 O SER D 49 N TRP D 36 SHEET 6 AB3 6 THR D 58 TYR D 60 -1 O ASN D 59 N GLY D 50 SHEET 1 AB4 4 SER D 139 LEU D 143 0 SHEET 2 AB4 4 THR D 154 TYR D 164 -1 O GLY D 158 N LEU D 143 SHEET 3 AB4 4 TYR D 195 PRO D 204 -1 O LEU D 197 N VAL D 161 SHEET 4 AB4 4 VAL D 182 THR D 184 -1 N HIS D 183 O VAL D 200 SHEET 1 AB5 4 SER D 139 LEU D 143 0 SHEET 2 AB5 4 THR D 154 TYR D 164 -1 O GLY D 158 N LEU D 143 SHEET 3 AB5 4 TYR D 195 PRO D 204 -1 O LEU D 197 N VAL D 161 SHEET 4 AB5 4 VAL D 188 LEU D 189 -1 N VAL D 188 O SER D 196 SHEET 1 AB6 3 THR D 170 TRP D 173 0 SHEET 2 AB6 3 TYR D 213 HIS D 219 -1 O ASN D 216 N SER D 172 SHEET 3 AB6 3 THR D 224 VAL D 230 -1 O VAL D 230 N TYR D 213 SHEET 1 AB7 4 MET E 4 SER E 7 0 SHEET 2 AB7 4 VAL E 19 ALA E 25 -1 O ARG E 24 N THR E 5 SHEET 3 AB7 4 GLU E 70 ILE E 75 -1 O LEU E 73 N ILE E 21 SHEET 4 AB7 4 PHE E 62 SER E 65 -1 N SER E 63 O THR E 74 SHEET 1 AB8 6 PHE E 10 ALA E 13 0 SHEET 2 AB8 6 THR E 103 ILE E 107 1 O ASP E 106 N LEU E 11 SHEET 3 AB8 6 THR E 85 GLN E 90 -1 N TYR E 86 O THR E 103 SHEET 4 AB8 6 LEU E 33 GLN E 38 -1 N GLN E 38 O THR E 85 SHEET 5 AB8 6 HIS E 45 TYR E 49 -1 O ILE E 48 N TRP E 35 SHEET 6 AB8 6 THR E 53 LEU E 54 -1 O THR E 53 N TYR E 49 SHEET 1 AB9 4 PHE E 10 ALA E 13 0 SHEET 2 AB9 4 THR E 103 ILE E 107 1 O ASP E 106 N LEU E 11 SHEET 3 AB9 4 THR E 85 GLN E 90 -1 N TYR E 86 O THR E 103 SHEET 4 AB9 4 THR E 98 PHE E 99 -1 O THR E 98 N GLN E 90 SHEET 1 AC1 4 SER E 115 PHE E 119 0 SHEET 2 AC1 4 THR E 130 PHE E 140 -1 O LEU E 136 N PHE E 117 SHEET 3 AC1 4 TYR E 174 SER E 183 -1 O LEU E 180 N VAL E 133 SHEET 4 AC1 4 SER E 160 VAL E 164 -1 N GLN E 161 O THR E 179 SHEET 1 AC2 4 ALA E 154 LEU E 155 0 SHEET 2 AC2 4 LYS E 146 VAL E 151 -1 N VAL E 151 O ALA E 154 SHEET 3 AC2 4 VAL E 192 THR E 198 -1 O ALA E 194 N LYS E 150 SHEET 4 AC2 4 VAL E 206 ASN E 211 -1 O VAL E 206 N VAL E 197 SHEET 1 AC3 4 GLN G 3 GLY G 8 0 SHEET 2 AC3 4 LEU G 18 SER G 25 -1 O SER G 23 N VAL G 5 SHEET 3 AC3 4 THR G 78 MET G 83 -1 O LEU G 79 N CYS G 22 SHEET 4 AC3 4 PHE G 68 ASP G 73 -1 N SER G 71 O TYR G 80 SHEET 1 AC4 6 GLY G 10 VAL G 12 0 SHEET 2 AC4 6 THR G 126 VAL G 130 1 O THR G 129 N VAL G 12 SHEET 3 AC4 6 ALA G 92 LYS G 98 -1 N TYR G 94 O THR G 126 SHEET 4 AC4 6 MET G 34 GLN G 39 -1 N VAL G 37 O TYR G 95 SHEET 5 AC4 6 LEU G 45 ILE G 51 -1 O SER G 49 N TRP G 36 SHEET 6 AC4 6 THR G 58 TYR G 60 -1 O ASN G 59 N GLY G 50 SHEET 1 AC5 4 SER G 139 LEU G 143 0 SHEET 2 AC5 4 THR G 154 TYR G 164 -1 O LEU G 160 N PHE G 141 SHEET 3 AC5 4 TYR G 195 PRO G 204 -1 O VAL G 203 N ALA G 155 SHEET 4 AC5 4 VAL G 182 THR G 184 -1 N HIS G 183 O VAL G 200 SHEET 1 AC6 4 SER G 139 LEU G 143 0 SHEET 2 AC6 4 THR G 154 TYR G 164 -1 O LEU G 160 N PHE G 141 SHEET 3 AC6 4 TYR G 195 PRO G 204 -1 O VAL G 203 N ALA G 155 SHEET 4 AC6 4 VAL G 188 LEU G 189 -1 N VAL G 188 O SER G 196 SHEET 1 AC7 3 THR G 170 TRP G 173 0 SHEET 2 AC7 3 TYR G 213 HIS G 219 -1 O ASN G 216 N SER G 172 SHEET 3 AC7 3 THR G 224 VAL G 230 -1 O VAL G 226 N VAL G 217 SHEET 1 AC8 4 MET H 4 SER H 7 0 SHEET 2 AC8 4 VAL H 19 ALA H 25 -1 O ARG H 24 N THR H 5 SHEET 3 AC8 4 GLU H 70 ILE H 75 -1 O LEU H 73 N ILE H 21 SHEET 4 AC8 4 PHE H 62 SER H 65 -1 N SER H 63 O THR H 74 SHEET 1 AC9 6 PHE H 10 ALA H 13 0 SHEET 2 AC9 6 THR H 103 ILE H 107 1 O ASP H 106 N LEU H 11 SHEET 3 AC9 6 THR H 85 GLN H 90 -1 N TYR H 86 O THR H 103 SHEET 4 AC9 6 LEU H 33 GLN H 38 -1 N GLN H 38 O THR H 85 SHEET 5 AC9 6 HIS H 45 TYR H 49 -1 O LEU H 47 N TRP H 35 SHEET 6 AC9 6 THR H 53 LEU H 54 -1 O THR H 53 N TYR H 49 SHEET 1 AD1 4 PHE H 10 ALA H 13 0 SHEET 2 AD1 4 THR H 103 ILE H 107 1 O ASP H 106 N LEU H 11 SHEET 3 AD1 4 THR H 85 GLN H 90 -1 N TYR H 86 O THR H 103 SHEET 4 AD1 4 THR H 98 PHE H 99 -1 O THR H 98 N GLN H 90 SHEET 1 AD2 4 SER H 115 PHE H 119 0 SHEET 2 AD2 4 THR H 130 PHE H 140 -1 O LEU H 136 N PHE H 117 SHEET 3 AD2 4 TYR H 174 SER H 183 -1 O LEU H 180 N VAL H 133 SHEET 4 AD2 4 SER H 160 VAL H 164 -1 N GLN H 161 O THR H 179 SHEET 1 AD3 4 ALA H 154 LEU H 155 0 SHEET 2 AD3 4 LYS H 146 VAL H 151 -1 N VAL H 151 O ALA H 154 SHEET 3 AD3 4 VAL H 192 THR H 198 -1 O ALA H 194 N LYS H 150 SHEET 4 AD3 4 VAL H 206 ASN H 211 -1 O VAL H 206 N VAL H 197 SHEET 1 AD4 4 GLN J 3 GLY J 8 0 SHEET 2 AD4 4 LEU J 18 SER J 25 -1 O SER J 23 N VAL J 5 SHEET 3 AD4 4 THR J 78 LEU J 86 -1 O LEU J 79 N CYS J 22 SHEET 4 AD4 4 GLY J 15 GLY J 15 -1 N GLY J 15 O LEU J 86 SHEET 1 AD5 4 GLN J 3 GLY J 8 0 SHEET 2 AD5 4 LEU J 18 SER J 25 -1 O SER J 23 N VAL J 5 SHEET 3 AD5 4 THR J 78 LEU J 86 -1 O LEU J 79 N CYS J 22 SHEET 4 AD5 4 PHE J 68 ASP J 73 -1 N SER J 71 O TYR J 80 SHEET 1 AD6 6 GLY J 10 VAL J 12 0 SHEET 2 AD6 6 THR J 126 VAL J 130 1 O THR J 129 N VAL J 12 SHEET 3 AD6 6 ALA J 92 LYS J 98 -1 N TYR J 94 O THR J 126 SHEET 4 AD6 6 MET J 34 GLN J 39 -1 N VAL J 37 O TYR J 95 SHEET 5 AD6 6 LEU J 45 ILE J 51 -1 O SER J 49 N TRP J 36 SHEET 6 AD6 6 THR J 58 TYR J 60 -1 O ASN J 59 N GLY J 50 SHEET 1 AD7 4 SER J 139 LEU J 143 0 SHEET 2 AD7 4 THR J 154 TYR J 164 -1 O LEU J 160 N PHE J 141 SHEET 3 AD7 4 TYR J 195 PRO J 204 -1 O LEU J 197 N VAL J 161 SHEET 4 AD7 4 VAL J 182 THR J 184 -1 N HIS J 183 O VAL J 200 SHEET 1 AD8 4 THR J 150 SER J 151 0 SHEET 2 AD8 4 THR J 154 TYR J 164 -1 O THR J 154 N SER J 151 SHEET 3 AD8 4 TYR J 195 PRO J 204 -1 O LEU J 197 N VAL J 161 SHEET 4 AD8 4 VAL J 188 LEU J 189 -1 N VAL J 188 O SER J 196 SHEET 1 AD9 3 THR J 170 TRP J 173 0 SHEET 2 AD9 3 TYR J 213 HIS J 219 -1 O ASN J 216 N SER J 172 SHEET 3 AD9 3 THR J 224 VAL J 230 -1 O THR J 224 N HIS J 219 SHEET 1 AE1 4 MET K 4 SER K 7 0 SHEET 2 AE1 4 VAL K 19 ALA K 25 -1 O ARG K 24 N THR K 5 SHEET 3 AE1 4 GLU K 70 ILE K 75 -1 O LEU K 73 N ILE K 21 SHEET 4 AE1 4 PHE K 62 SER K 67 -1 N SER K 63 O THR K 74 SHEET 1 AE2 6 PHE K 10 ALA K 13 0 SHEET 2 AE2 6 THR K 103 ILE K 107 1 O ASP K 106 N LEU K 11 SHEET 3 AE2 6 THR K 85 GLN K 90 -1 N TYR K 86 O THR K 103 SHEET 4 AE2 6 LEU K 33 GLN K 38 -1 N TYR K 36 O TYR K 87 SHEET 5 AE2 6 HIS K 45 TYR K 49 -1 O LEU K 47 N TRP K 35 SHEET 6 AE2 6 THR K 53 LEU K 54 -1 O THR K 53 N TYR K 49 SHEET 1 AE3 4 PHE K 10 ALA K 13 0 SHEET 2 AE3 4 THR K 103 ILE K 107 1 O ASP K 106 N LEU K 11 SHEET 3 AE3 4 THR K 85 GLN K 90 -1 N TYR K 86 O THR K 103 SHEET 4 AE3 4 THR K 98 PHE K 99 -1 O THR K 98 N GLN K 90 SHEET 1 AE4 4 SER K 115 PHE K 119 0 SHEET 2 AE4 4 THR K 130 PHE K 140 -1 O LEU K 136 N PHE K 117 SHEET 3 AE4 4 TYR K 174 SER K 183 -1 O LEU K 180 N VAL K 133 SHEET 4 AE4 4 SER K 160 VAL K 164 -1 N GLN K 161 O THR K 179 SHEET 1 AE5 4 ALA K 154 LEU K 155 0 SHEET 2 AE5 4 LYS K 146 VAL K 151 -1 N VAL K 151 O ALA K 154 SHEET 3 AE5 4 VAL K 192 THR K 198 -1 O ALA K 194 N LYS K 150 SHEET 4 AE5 4 VAL K 206 ASN K 211 -1 O VAL K 206 N VAL K 197 SSBOND 1 CYS A 22 CYS A 96 1555 1555 2.04 SSBOND 2 CYS A 159 CYS A 215 1555 1555 2.03 SSBOND 3 CYS B 23 CYS B 88 1555 1555 2.03 SSBOND 4 CYS B 135 CYS B 195 1555 1555 2.03 SSBOND 5 CYS D 22 CYS D 96 1555 1555 2.03 SSBOND 6 CYS D 159 CYS D 215 1555 1555 2.03 SSBOND 7 CYS E 23 CYS E 88 1555 1555 2.03 SSBOND 8 CYS E 135 CYS E 195 1555 1555 2.03 SSBOND 9 CYS G 22 CYS G 96 1555 1555 2.03 SSBOND 10 CYS G 159 CYS G 215 1555 1555 2.03 SSBOND 11 CYS G 234 CYS H 215 1555 1555 2.04 SSBOND 12 CYS H 23 CYS H 88 1555 1555 2.03 SSBOND 13 CYS H 135 CYS H 195 1555 1555 2.03 SSBOND 14 CYS J 22 CYS J 96 1555 1555 2.04 SSBOND 15 CYS J 159 CYS J 215 1555 1555 2.04 SSBOND 16 CYS K 23 CYS K 88 1555 1555 2.03 SSBOND 17 CYS K 135 CYS K 195 1555 1555 2.03 CISPEP 1 PHE A 165 PRO A 166 0 -10.02 CISPEP 2 GLU A 167 PRO A 168 0 1.78 CISPEP 3 SER B 7 PRO B 8 0 -5.12 CISPEP 4 TYR B 94 PRO B 95 0 16.51 CISPEP 5 TYR B 141 PRO B 142 0 5.16 CISPEP 6 PHE D 165 PRO D 166 0 -10.28 CISPEP 7 GLU D 167 PRO D 168 0 2.50 CISPEP 8 SER E 7 PRO E 8 0 -5.10 CISPEP 9 TYR E 94 PRO E 95 0 15.39 CISPEP 10 TYR E 141 PRO E 142 0 4.17 CISPEP 11 PHE G 165 PRO G 166 0 -10.33 CISPEP 12 GLU G 167 PRO G 168 0 3.11 CISPEP 13 SER H 7 PRO H 8 0 -5.44 CISPEP 14 TYR H 94 PRO H 95 0 15.07 CISPEP 15 TYR H 141 PRO H 142 0 5.67 CISPEP 16 PHE J 165 PRO J 166 0 -10.34 CISPEP 17 GLU J 167 PRO J 168 0 1.79 CISPEP 18 SER K 7 PRO K 8 0 -5.35 CISPEP 19 TYR K 94 PRO K 95 0 14.36 CISPEP 20 TYR K 141 PRO K 142 0 4.95 CRYST1 71.148 81.359 95.650 90.34 95.96 100.65 P 1 4 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.014055 0.002644 0.001535 0.00000 SCALE2 0.000000 0.012507 0.000321 0.00000 SCALE3 0.000000 0.000000 0.010515 0.00000