HEADER ALLERGEN 14-JUL-24 9CMC TITLE CRYSTAL STRUCTURE OF THE PEANUT ALLERGEN ARA H 2 WITH TWO HUMAN TITLE 2 DERIVED FAB ANTIBODIES 22S1 AND 23P34 COMPND MOL_ID: 1; COMPND 2 MOLECULE: FAB 23P34 HEAVY CHAIN; COMPND 3 CHAIN: A, F, K, P; COMPND 4 ENGINEERED: YES; COMPND 5 MOL_ID: 2; COMPND 6 MOLECULE: FAB 23P34 LIGHT CHAIN; COMPND 7 CHAIN: B, G, L, Q; COMPND 8 ENGINEERED: YES; COMPND 9 MOL_ID: 3; COMPND 10 MOLECULE: FAB 22S1 HEAVY CHAIN; COMPND 11 CHAIN: C, H, M, R; COMPND 12 ENGINEERED: YES; COMPND 13 MOL_ID: 4; COMPND 14 MOLECULE: FAB 22S1 LIGHT CHAIN; COMPND 15 CHAIN: D, I, N, V; COMPND 16 ENGINEERED: YES; COMPND 17 MOL_ID: 5; COMPND 18 MOLECULE: ARA H 2 ALLERGEN; COMPND 19 CHAIN: E, J, O, T; COMPND 20 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 EXPRESSION_SYSTEM: CRICETULUS GRISEUS; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 10029; SOURCE 7 MOL_ID: 2; SOURCE 8 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 9 ORGANISM_COMMON: HUMAN; SOURCE 10 ORGANISM_TAXID: 9606; SOURCE 11 EXPRESSION_SYSTEM: CRICETULUS GRISEUS; SOURCE 12 EXPRESSION_SYSTEM_TAXID: 10029; SOURCE 13 MOL_ID: 3; SOURCE 14 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 15 ORGANISM_COMMON: HUMAN; SOURCE 16 ORGANISM_TAXID: 9606; SOURCE 17 EXPRESSION_SYSTEM: CRICETULUS GRISEUS; SOURCE 18 EXPRESSION_SYSTEM_TAXID: 10029; SOURCE 19 MOL_ID: 4; SOURCE 20 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 21 ORGANISM_COMMON: HUMAN; SOURCE 22 ORGANISM_TAXID: 9606; SOURCE 23 EXPRESSION_SYSTEM: CRICETULUS GRISEUS; SOURCE 24 EXPRESSION_SYSTEM_TAXID: 10029; SOURCE 25 MOL_ID: 5; SOURCE 26 ORGANISM_SCIENTIFIC: ARACHIS HYPOGAEA; SOURCE 27 ORGANISM_COMMON: PEANUT; SOURCE 28 ORGANISM_TAXID: 3818; SOURCE 29 GENE: ARA H 2, AHY_A08G040012; SOURCE 30 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 31 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS ALLERGY, ANTIBODY COMPLEX, PEANUT, ALLERGEN EXPDTA X-RAY DIFFRACTION AUTHOR L.C.PEDERSEN,G.A.MUELLER,J.MIN REVDAT 1 11-JUN-25 9CMC 0 JRNL AUTH O.MARINI-RAPOPORT,L.ANDRIEUX,T.KESWANI,G.ZONG,D.DUCHEN, JRNL AUTH 2 G.YAARI,J.MIN,I.R.LYTLE,A.F.ROSENBERG,C.FUCILE,J.J.KOBIE, JRNL AUTH 3 M.S.PIEPENBRINK,T.SUN,V.M.MARTIN,Q.YUAN,W.G.SHREFFLER, JRNL AUTH 4 A.E.SEPPO,K.M.JARVINEN,J.R.LOEFFLER,A.B.WARD,S.H.KLEINSTEIN, JRNL AUTH 5 L.C.PEDERSEN,M.L.FERNANDEZ-QUINTERO,G.A.MUELLER,S.U.PATIL JRNL TITL GERMLINE-ENCODED RECOGNITION OF PEANUT UNDERLIES DEVELOPMENT JRNL TITL 2 OF CONVERGENT ANTIBODIES IN HUMANS JRNL REF SCI TRANSL MED 2025 JRNL REFN ESSN 1946-6242 JRNL DOI 10.1126/SCITRANSLMED.ADW4148 REMARK 2 REMARK 2 RESOLUTION. 2.95 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PHENIX 1.20.1_4487 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 : GEOSTD + MONOMER LIBRARY + CDL V1.2 REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.95 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 49.53 REMARK 3 MIN(FOBS/SIGMA_FOBS) : 1.350 REMARK 3 COMPLETENESS FOR RANGE (%) : 98.9 REMARK 3 NUMBER OF REFLECTIONS : 96963 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 R VALUE (WORKING + TEST SET) : 0.214 REMARK 3 R VALUE (WORKING SET) : 0.213 REMARK 3 FREE R VALUE : 0.253 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 2.050 REMARK 3 FREE R VALUE TEST SET COUNT : 1985 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 49.5300 - 7.1000 0.98 6887 145 0.1984 0.2304 REMARK 3 2 7.1000 - 5.6400 0.99 6818 138 0.2258 0.2286 REMARK 3 3 5.6400 - 4.9300 1.00 6864 144 0.1870 0.2468 REMARK 3 4 4.9300 - 4.4800 0.99 6813 142 0.1712 0.2269 REMARK 3 5 4.4800 - 4.1600 1.00 6834 143 0.1790 0.2117 REMARK 3 6 4.1600 - 3.9100 1.00 6834 143 0.1972 0.2366 REMARK 3 7 3.9100 - 3.7200 0.99 6794 136 0.2293 0.2412 REMARK 3 8 3.7200 - 3.5500 0.98 6691 146 0.2320 0.2958 REMARK 3 9 3.5500 - 3.4200 0.99 6757 141 0.2389 0.3049 REMARK 3 10 3.4200 - 3.3000 0.99 6761 143 0.2534 0.2789 REMARK 3 11 3.3000 - 3.2000 0.99 6760 141 0.2797 0.3539 REMARK 3 12 3.2000 - 3.1100 0.99 6718 142 0.2794 0.3279 REMARK 3 13 3.1100 - 3.0200 0.98 6764 141 0.2820 0.3392 REMARK 3 14 3.0200 - 2.9500 0.98 6683 140 0.2864 0.2933 REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : FLAT BULK SOLVENT MODEL REMARK 3 SOLVENT RADIUS : 1.10 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) : 0.396 REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 27.089 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 75.35 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 85.00 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 : 0.007 26181 REMARK 3 ANGLE : 1.082 35748 REMARK 3 CHIRALITY : 0.062 4094 REMARK 3 PLANARITY : 0.008 4671 REMARK 3 DIHEDRAL : 13.611 8919 REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : 113 REMARK 3 TLS GROUP : 1 REMARK 3 SELECTION: CHAIN 'A' AND (RESID 3 THROUGH 25 ) REMARK 3 ORIGIN FOR THE GROUP (A): -18.2700 15.0229 57.5348 REMARK 3 T TENSOR REMARK 3 T11: 0.7984 T22: 1.4442 REMARK 3 T33: 1.6886 T12: 0.0347 REMARK 3 T13: 0.3142 T23: -0.6135 REMARK 3 L TENSOR REMARK 3 L11: 0.0108 L22: 4.8291 REMARK 3 L33: 1.9176 L12: -0.2949 REMARK 3 L13: -0.0447 L23: 1.0029 REMARK 3 S TENSOR REMARK 3 S11: -0.1353 S12: 0.0262 S13: -1.2320 REMARK 3 S21: 0.5686 S22: -0.8510 S23: 0.4877 REMARK 3 S31: 0.6202 S32: 0.1920 S33: 0.6537 REMARK 3 TLS GROUP : 2 REMARK 3 SELECTION: CHAIN 'A' AND (RESID 26 THROUGH 92 ) REMARK 3 ORIGIN FOR THE GROUP (A): -25.7484 18.0645 66.2315 REMARK 3 T TENSOR REMARK 3 T11: 0.5494 T22: 1.4155 REMARK 3 T33: 1.1945 T12: 0.1928 REMARK 3 T13: -0.0941 T23: -0.5759 REMARK 3 L TENSOR REMARK 3 L11: 9.2536 L22: 3.5924 REMARK 3 L33: 1.6951 L12: 0.6216 REMARK 3 L13: -0.3480 L23: -2.4770 REMARK 3 S TENSOR REMARK 3 S11: 0.2512 S12: -0.4040 S13: -0.3599 REMARK 3 S21: -0.1395 S22: 0.1628 S23: -0.9416 REMARK 3 S31: 0.1550 S32: 0.8620 S33: -0.3981 REMARK 3 TLS GROUP : 3 REMARK 3 SELECTION: CHAIN 'A' AND (RESID 93 THROUGH 128 ) REMARK 3 ORIGIN FOR THE GROUP (A): -27.1354 19.8607 58.4906 REMARK 3 T TENSOR REMARK 3 T11: 0.6555 T22: 1.2630 REMARK 3 T33: 1.0310 T12: 0.1707 REMARK 3 T13: 0.0300 T23: -0.5067 REMARK 3 L TENSOR REMARK 3 L11: 3.9049 L22: 2.9932 REMARK 3 L33: 4.8744 L12: -3.5857 REMARK 3 L13: -3.0220 L23: 2.6912 REMARK 3 S TENSOR REMARK 3 S11: 0.2840 S12: -0.0996 S13: 0.4782 REMARK 3 S21: -0.3449 S22: 0.6440 S23: -0.6997 REMARK 3 S31: 0.1360 S32: 1.0714 S33: -1.0004 REMARK 3 TLS GROUP : 4 REMARK 3 SELECTION: CHAIN 'B' AND (RESID 2 THROUGH 45 ) REMARK 3 ORIGIN FOR THE GROUP (A): -44.5520 29.6229 57.2796 REMARK 3 T TENSOR REMARK 3 T11: 0.4926 T22: 0.8028 REMARK 3 T33: 0.7010 T12: 0.0293 REMARK 3 T13: 0.0782 T23: -0.2175 REMARK 3 L TENSOR REMARK 3 L11: 5.5351 L22: 3.6557 REMARK 3 L33: 4.1539 L12: -0.5480 REMARK 3 L13: 1.4518 L23: 2.4228 REMARK 3 S TENSOR REMARK 3 S11: 0.3170 S12: 0.8578 S13: 0.4289 REMARK 3 S21: -0.3318 S22: 0.0938 S23: -0.3541 REMARK 3 S31: -0.2373 S32: 1.1324 S33: -0.3424 REMARK 3 TLS GROUP : 5 REMARK 3 SELECTION: CHAIN 'B' AND (RESID 46 THROUGH 52 ) REMARK 3 ORIGIN FOR THE GROUP (A): -29.1989 31.8822 53.4011 REMARK 3 T TENSOR REMARK 3 T11: 1.1330 T22: 1.9774 REMARK 3 T33: 1.1074 T12: 0.0753 REMARK 3 T13: 0.2664 T23: -0.5026 REMARK 3 L TENSOR REMARK 3 L11: 6.8327 L22: 7.3310 REMARK 3 L33: 9.2603 L12: -6.0814 REMARK 3 L13: -7.7521 L23: 5.9538 REMARK 3 S TENSOR REMARK 3 S11: 0.9295 S12: 1.6819 S13: 1.2562 REMARK 3 S21: -1.8970 S22: 0.2023 S23: -1.9312 REMARK 3 S31: 0.7059 S32: 1.4968 S33: -1.5458 REMARK 3 TLS GROUP : 6 REMARK 3 SELECTION: CHAIN 'B' AND (RESID 53 THROUGH 75 ) REMARK 3 ORIGIN FOR THE GROUP (A): -37.7504 39.2698 62.2770 REMARK 3 T TENSOR REMARK 3 T11: 0.8452 T22: 0.7876 REMARK 3 T33: 1.2399 T12: -0.2086 REMARK 3 T13: 0.0331 T23: -0.0172 REMARK 3 L TENSOR REMARK 3 L11: 2.6974 L22: 4.6725 REMARK 3 L33: 3.0388 L12: -1.2564 REMARK 3 L13: -2.7701 L23: 0.7264 REMARK 3 S TENSOR REMARK 3 S11: 0.2641 S12: -0.5525 S13: 1.9601 REMARK 3 S21: -0.8754 S22: -0.4085 S23: -1.6544 REMARK 3 S31: -1.6431 S32: 0.9212 S33: -0.9404 REMARK 3 TLS GROUP : 7 REMARK 3 SELECTION: CHAIN 'B' AND (RESID 76 THROUGH 91 ) REMARK 3 ORIGIN FOR THE GROUP (A): -47.2244 34.7028 58.7092 REMARK 3 T TENSOR REMARK 3 T11: 0.7201 T22: 0.9405 REMARK 3 T33: 0.7451 T12: 0.1081 REMARK 3 T13: 0.2105 T23: -0.0964 REMARK 3 L TENSOR REMARK 3 L11: 4.1524 L22: 3.3324 REMARK 3 L33: 7.2769 L12: 3.1782 REMARK 3 L13: -1.1555 L23: -3.3102 REMARK 3 S TENSOR REMARK 3 S11: 0.4745 S12: 1.1511 S13: -0.4429 REMARK 3 S21: -0.2099 S22: 1.2772 S23: -1.1101 REMARK 3 S31: -0.8512 S32: -0.7554 S33: -0.9845 REMARK 3 TLS GROUP : 8 REMARK 3 SELECTION: CHAIN 'B' AND (RESID 92 THROUGH 99 ) REMARK 3 ORIGIN FOR THE GROUP (A): -37.2274 42.8758 48.7550 REMARK 3 T TENSOR REMARK 3 T11: 0.9715 T22: 1.7074 REMARK 3 T33: 1.4149 T12: -0.5101 REMARK 3 T13: 1.4339 T23: 0.1791 REMARK 3 L TENSOR REMARK 3 L11: 3.7449 L22: 0.2219 REMARK 3 L33: 3.9003 L12: -0.7950 REMARK 3 L13: -1.5687 L23: 0.7559 REMARK 3 S TENSOR REMARK 3 S11: -0.1508 S12: 0.1490 S13: -0.1066 REMARK 3 S21: 0.1747 S22: -0.9008 S23: -0.0500 REMARK 3 S31: 0.0827 S32: 2.1078 S33: 0.0348 REMARK 3 TLS GROUP : 9 REMARK 3 SELECTION: CHAIN 'B' AND (RESID 100 THROUGH 121 ) REMARK 3 ORIGIN FOR THE GROUP (A): -39.5585 24.4668 58.0531 REMARK 3 T TENSOR REMARK 3 T11: 0.3687 T22: 1.3326 REMARK 3 T33: 0.8565 T12: 0.1420 REMARK 3 T13: -0.0064 T23: -0.3629 REMARK 3 L TENSOR REMARK 3 L11: 4.8509 L22: 6.3683 REMARK 3 L33: 4.2755 L12: -0.3810 REMARK 3 L13: 3.0664 L23: 1.4060 REMARK 3 S TENSOR REMARK 3 S11: -0.4644 S12: 1.0923 S13: -0.0595 REMARK 3 S21: -1.3508 S22: 1.0503 S23: -0.9483 REMARK 3 S31: 0.4386 S32: 2.3964 S33: -0.4414 REMARK 3 TLS GROUP : 10 REMARK 3 SELECTION: CHAIN 'B' AND (RESID 122 THROUGH 127 ) REMARK 3 ORIGIN FOR THE GROUP (A): -40.0151 34.8609 43.1101 REMARK 3 T TENSOR REMARK 3 T11: 1.3804 T22: 1.3146 REMARK 3 T33: 0.8963 T12: -0.0922 REMARK 3 T13: 0.2864 T23: 0.2941 REMARK 3 L TENSOR REMARK 3 L11: 0.5949 L22: 0.2354 REMARK 3 L33: 0.5240 L12: 0.3775 REMARK 3 L13: -0.5582 L23: -0.3514 REMARK 3 S TENSOR REMARK 3 S11: -0.3963 S12: 2.0950 S13: 0.9206 REMARK 3 S21: -2.5906 S22: 0.1574 S23: -1.0570 REMARK 3 S31: -0.4496 S32: 3.0545 S33: -0.0517 REMARK 3 TLS GROUP : 11 REMARK 3 SELECTION: CHAIN 'C' AND (RESID 1 THROUGH 91 ) REMARK 3 ORIGIN FOR THE GROUP (A): -23.8227 34.4961 107.8819 REMARK 3 T TENSOR REMARK 3 T11: 0.4207 T22: 0.5299 REMARK 3 T33: 0.5085 T12: 0.0438 REMARK 3 T13: -0.0404 T23: 0.0094 REMARK 3 L TENSOR REMARK 3 L11: 3.2672 L22: 2.1154 REMARK 3 L33: 7.3340 L12: 0.4975 REMARK 3 L13: 1.6507 L23: 1.6546 REMARK 3 S TENSOR REMARK 3 S11: -0.0489 S12: 0.6135 S13: -0.2586 REMARK 3 S21: -0.1713 S22: 0.0444 S23: 0.0360 REMARK 3 S31: -0.3955 S32: 0.2832 S33: -0.0089 REMARK 3 TLS GROUP : 12 REMARK 3 SELECTION: CHAIN 'C' AND (RESID 92 THROUGH 160 ) REMARK 3 ORIGIN FOR THE GROUP (A): -17.6908 28.0535 122.8833 REMARK 3 T TENSOR REMARK 3 T11: 0.2564 T22: 0.5366 REMARK 3 T33: 0.6112 T12: 0.0141 REMARK 3 T13: 0.0032 T23: 0.0068 REMARK 3 L TENSOR REMARK 3 L11: 1.2302 L22: 1.7140 REMARK 3 L33: 3.4663 L12: 0.6040 REMARK 3 L13: 0.9509 L23: 0.0658 REMARK 3 S TENSOR REMARK 3 S11: -0.1247 S12: 0.1453 S13: -0.2257 REMARK 3 S21: -0.0836 S22: -0.0562 S23: -0.1511 REMARK 3 S31: -0.3834 S32: 0.3688 S33: 0.2213 REMARK 3 TLS GROUP : 13 REMARK 3 SELECTION: CHAIN 'C' AND (RESID 161 THROUGH 230 ) REMARK 3 ORIGIN FOR THE GROUP (A): -5.1458 19.8117 138.3459 REMARK 3 T TENSOR REMARK 3 T11: 0.4415 T22: 0.8752 REMARK 3 T33: 0.7423 T12: 0.1323 REMARK 3 T13: 0.0386 T23: 0.1027 REMARK 3 L TENSOR REMARK 3 L11: 1.8233 L22: 4.8027 REMARK 3 L33: 3.5825 L12: -0.0195 REMARK 3 L13: 0.5903 L23: -1.0364 REMARK 3 S TENSOR REMARK 3 S11: -0.0391 S12: -0.0697 S13: -0.6698 REMARK 3 S21: -0.2124 S22: 0.0423 S23: -0.2804 REMARK 3 S31: 0.6418 S32: 0.9277 S33: 0.0236 REMARK 3 TLS GROUP : 14 REMARK 3 SELECTION: CHAIN 'D' AND (RESID 1 THROUGH 91 ) REMARK 3 ORIGIN FOR THE GROUP (A): -36.8128 15.4410 115.4128 REMARK 3 T TENSOR REMARK 3 T11: 0.4530 T22: 0.5363 REMARK 3 T33: 0.7268 T12: -0.0895 REMARK 3 T13: -0.1000 T23: -0.0629 REMARK 3 L TENSOR REMARK 3 L11: 2.9002 L22: 4.0078 REMARK 3 L33: 5.3934 L12: -1.0906 REMARK 3 L13: 0.3552 L23: -0.2617 REMARK 3 S TENSOR REMARK 3 S11: 0.2565 S12: -0.0259 S13: -0.5747 REMARK 3 S21: -0.0806 S22: -0.0210 S23: 0.5598 REMARK 3 S31: 0.4243 S32: -0.4686 S33: -0.2739 REMARK 3 TLS GROUP : 15 REMARK 3 SELECTION: CHAIN 'D' AND (RESID 92 THROUGH 122 ) REMARK 3 ORIGIN FOR THE GROUP (A): -33.3773 17.8815 116.5224 REMARK 3 T TENSOR REMARK 3 T11: 0.3570 T22: 0.5682 REMARK 3 T33: 0.5966 T12: 0.0046 REMARK 3 T13: -0.0985 T23: -0.0568 REMARK 3 L TENSOR REMARK 3 L11: 2.2085 L22: 5.4808 REMARK 3 L33: 5.4249 L12: -0.3080 REMARK 3 L13: 0.7902 L23: -2.1945 REMARK 3 S TENSOR REMARK 3 S11: 0.6014 S12: 0.1699 S13: -0.6843 REMARK 3 S21: -0.7138 S22: -0.2169 S23: 0.5685 REMARK 3 S31: 0.4842 S32: -0.2314 S33: -0.2401 REMARK 3 TLS GROUP : 16 REMARK 3 SELECTION: CHAIN 'D' AND (RESID 123 THROUGH 133 ) REMARK 3 ORIGIN FOR THE GROUP (A): -27.0215 7.2306 134.5420 REMARK 3 T TENSOR REMARK 3 T11: 1.0882 T22: 0.4920 REMARK 3 T33: 0.8726 T12: 0.1540 REMARK 3 T13: -0.3365 T23: -0.0231 REMARK 3 L TENSOR REMARK 3 L11: 0.5241 L22: 1.2978 REMARK 3 L33: 2.7645 L12: -0.7623 REMARK 3 L13: 1.0186 L23: -1.8869 REMARK 3 S TENSOR REMARK 3 S11: 0.5908 S12: 0.1094 S13: -0.1906 REMARK 3 S21: -0.7318 S22: 0.5408 S23: 0.8492 REMARK 3 S31: -0.4955 S32: -0.4263 S33: -1.0015 REMARK 3 TLS GROUP : 17 REMARK 3 SELECTION: CHAIN 'D' AND (RESID 134 THROUGH 170 ) REMARK 3 ORIGIN FOR THE GROUP (A): -17.2683 20.8392 147.2625 REMARK 3 T TENSOR REMARK 3 T11: 0.5900 T22: 0.5585 REMARK 3 T33: 0.5809 T12: -0.1050 REMARK 3 T13: -0.1170 T23: 0.1169 REMARK 3 L TENSOR REMARK 3 L11: 4.6659 L22: 4.9860 REMARK 3 L33: 6.1713 L12: 0.0807 REMARK 3 L13: 1.6376 L23: 1.6888 REMARK 3 S TENSOR REMARK 3 S11: -0.1398 S12: -0.4115 S13: -0.3450 REMARK 3 S21: -0.3485 S22: 0.1498 S23: 0.1675 REMARK 3 S31: -0.1135 S32: 0.3142 S33: -0.0132 REMARK 3 TLS GROUP : 18 REMARK 3 SELECTION: CHAIN 'D' AND (RESID 171 THROUGH 234 ) REMARK 3 ORIGIN FOR THE GROUP (A): -20.2696 21.6198 148.9564 REMARK 3 T TENSOR REMARK 3 T11: 0.2898 T22: 0.5801 REMARK 3 T33: 0.6085 T12: 0.0078 REMARK 3 T13: -0.0705 T23: 0.1621 REMARK 3 L TENSOR REMARK 3 L11: 1.6440 L22: 6.7842 REMARK 3 L33: 7.5479 L12: 1.2822 REMARK 3 L13: 0.6305 L23: 2.9093 REMARK 3 S TENSOR REMARK 3 S11: 0.1641 S12: -0.3380 S13: -0.1915 REMARK 3 S21: 0.1314 S22: -0.1797 S23: 0.0061 REMARK 3 S31: -0.1572 S32: -0.0903 S33: -0.0332 REMARK 3 TLS GROUP : 19 REMARK 3 SELECTION: CHAIN 'E' AND (RESID 36 THROUGH 42 ) REMARK 3 ORIGIN FOR THE GROUP (A): -53.7582 19.7870 87.0999 REMARK 3 T TENSOR REMARK 3 T11: 0.4064 T22: 1.5037 REMARK 3 T33: 1.5021 T12: -0.0141 REMARK 3 T13: -0.2734 T23: -0.2060 REMARK 3 L TENSOR REMARK 3 L11: 1.9450 L22: 1.6477 REMARK 3 L33: 0.3362 L12: -0.3659 REMARK 3 L13: -0.3754 L23: 0.6328 REMARK 3 S TENSOR REMARK 3 S11: 0.2660 S12: -0.3058 S13: -1.6376 REMARK 3 S21: -0.4128 S22: -0.8913 S23: 0.2908 REMARK 3 S31: 0.1594 S32: -0.9266 S33: 0.5669 REMARK 3 TLS GROUP : 20 REMARK 3 SELECTION: CHAIN 'E' AND (RESID 43 THROUGH 85 ) REMARK 3 ORIGIN FOR THE GROUP (A): -44.7300 32.4257 81.2560 REMARK 3 T TENSOR REMARK 3 T11: 0.6671 T22: 0.9541 REMARK 3 T33: 0.7516 T12: 0.0378 REMARK 3 T13: -0.1841 T23: -0.0718 REMARK 3 L TENSOR REMARK 3 L11: 6.3984 L22: 8.1811 REMARK 3 L33: 1.9881 L12: 2.7019 REMARK 3 L13: -1.6728 L23: -3.8203 REMARK 3 S TENSOR REMARK 3 S11: 0.0924 S12: 0.8467 S13: 0.4084 REMARK 3 S21: 0.2836 S22: -0.1957 S23: 0.3341 REMARK 3 S31: -0.4360 S32: -0.6411 S33: -0.0405 REMARK 3 TLS GROUP : 21 REMARK 3 SELECTION: CHAIN 'E' AND (RESID 86 THROUGH 101 ) REMARK 3 ORIGIN FOR THE GROUP (A): -52.0350 28.6640 91.8615 REMARK 3 T TENSOR REMARK 3 T11: 0.7915 T22: 1.1571 REMARK 3 T33: 0.9650 T12: 0.2536 REMARK 3 T13: -0.0850 T23: -0.2060 REMARK 3 L TENSOR REMARK 3 L11: 6.3793 L22: 8.8146 REMARK 3 L33: 3.9830 L12: 2.1890 REMARK 3 L13: -3.1747 L23: -5.2802 REMARK 3 S TENSOR REMARK 3 S11: 0.6602 S12: -0.4659 S13: 0.2224 REMARK 3 S21: -0.0919 S22: -0.2212 S23: -0.1156 REMARK 3 S31: -0.1719 S32: -1.2274 S33: -0.4324 REMARK 3 TLS GROUP : 22 REMARK 3 SELECTION: CHAIN 'E' AND (RESID 102 THROUGH 119 ) REMARK 3 ORIGIN FOR THE GROUP (A): -43.0087 20.4457 86.8180 REMARK 3 T TENSOR REMARK 3 T11: 0.6594 T22: 0.7704 REMARK 3 T33: 0.8208 T12: 0.0762 REMARK 3 T13: -0.2420 T23: -0.1850 REMARK 3 L TENSOR REMARK 3 L11: 2.1003 L22: 0.9748 REMARK 3 L33: 9.7042 L12: -0.8502 REMARK 3 L13: -0.4760 L23: -2.0945 REMARK 3 S TENSOR REMARK 3 S11: 0.4632 S12: 0.0356 S13: -0.6575 REMARK 3 S21: -0.4923 S22: 0.6544 S23: -0.1892 REMARK 3 S31: 0.9271 S32: -0.6603 S33: -0.5820 REMARK 3 TLS GROUP : 23 REMARK 3 SELECTION: CHAIN 'E' AND (RESID 120 THROUGH 134 ) REMARK 3 ORIGIN FOR THE GROUP (A): -33.9273 28.5911 83.3093 REMARK 3 T TENSOR REMARK 3 T11: 0.5601 T22: 1.1510 REMARK 3 T33: 0.9102 T12: 0.0338 REMARK 3 T13: -0.2440 T23: -0.4217 REMARK 3 L TENSOR REMARK 3 L11: 2.6788 L22: 2.3835 REMARK 3 L33: 2.0206 L12: -0.7489 REMARK 3 L13: -2.8440 L23: -1.3085 REMARK 3 S TENSOR REMARK 3 S11: 1.4469 S12: 0.6882 S13: 0.5262 REMARK 3 S21: -0.0386 S22: -0.2665 S23: -0.5576 REMARK 3 S31: -0.1510 S32: 1.8531 S33: -0.2324 REMARK 3 TLS GROUP : 24 REMARK 3 SELECTION: CHAIN 'E' AND (RESID 135 THROUGH 140 ) REMARK 3 ORIGIN FOR THE GROUP (A): -43.1426 32.7181 93.6553 REMARK 3 T TENSOR REMARK 3 T11: 0.9686 T22: 0.8657 REMARK 3 T33: 0.7673 T12: 0.1501 REMARK 3 T13: -0.1606 T23: -0.2127 REMARK 3 L TENSOR REMARK 3 L11: 7.6717 L22: 2.1053 REMARK 3 L33: 7.9965 L12: -3.5698 REMARK 3 L13: 0.0533 L23: 1.7788 REMARK 3 S TENSOR REMARK 3 S11: -0.0768 S12: -0.4828 S13: 0.7413 REMARK 3 S21: 0.5924 S22: -0.0370 S23: -0.9886 REMARK 3 S31: -1.6191 S32: 1.1069 S33: -0.6950 REMARK 3 TLS GROUP : 25 REMARK 3 SELECTION: CHAIN 'E' AND (RESID 141 THROUGH 151 ) REMARK 3 ORIGIN FOR THE GROUP (A): -39.2994 22.7918 96.3802 REMARK 3 T TENSOR REMARK 3 T11: 0.4161 T22: 0.7488 REMARK 3 T33: 0.8620 T12: 0.0193 REMARK 3 T13: -0.0908 T23: -0.2271 REMARK 3 L TENSOR REMARK 3 L11: 1.1133 L22: 1.4777 REMARK 3 L33: 4.7976 L12: -1.0928 REMARK 3 L13: 0.5090 L23: -1.7682 REMARK 3 S TENSOR REMARK 3 S11: 0.1094 S12: 0.4343 S13: -0.7889 REMARK 3 S21: 0.1757 S22: 0.1407 S23: 0.0311 REMARK 3 S31: 0.3686 S32: 0.5811 S33: -0.5583 REMARK 3 TLS GROUP : 26 REMARK 3 SELECTION: CHAIN 'F' AND (RESID 1 THROUGH 48 ) REMARK 3 ORIGIN FOR THE GROUP (A): 2.2441 27.8402 66.1230 REMARK 3 T TENSOR REMARK 3 T11: 0.4583 T22: 0.7439 REMARK 3 T33: 1.5465 T12: 0.0589 REMARK 3 T13: 0.5840 T23: 0.0837 REMARK 3 L TENSOR REMARK 3 L11: 4.4206 L22: 1.7712 REMARK 3 L33: 4.6051 L12: 0.3275 REMARK 3 L13: -1.3596 L23: 1.6202 REMARK 3 S TENSOR REMARK 3 S11: -0.5167 S12: 0.4462 S13: -0.4490 REMARK 3 S21: -0.1530 S22: -0.6206 S23: 1.6184 REMARK 3 S31: 0.0050 S32: -0.8601 S33: -0.7060 REMARK 3 TLS GROUP : 27 REMARK 3 SELECTION: CHAIN 'F' AND (RESID 49 THROUGH 84 ) REMARK 3 ORIGIN FOR THE GROUP (A): 5.3461 20.8681 60.0719 REMARK 3 T TENSOR REMARK 3 T11: 0.5807 T22: 0.6746 REMARK 3 T33: 1.4949 T12: 0.0359 REMARK 3 T13: 0.1228 T23: 0.0881 REMARK 3 L TENSOR REMARK 3 L11: 2.7901 L22: 5.3377 REMARK 3 L33: 4.8196 L12: 0.3120 REMARK 3 L13: -1.0596 L23: 2.7068 REMARK 3 S TENSOR REMARK 3 S11: 0.3124 S12: 0.4197 S13: -0.7017 REMARK 3 S21: -0.3959 S22: -0.2204 S23: 1.7736 REMARK 3 S31: -0.1615 S32: -0.9566 S33: 0.2245 REMARK 3 TLS GROUP : 28 REMARK 3 SELECTION: CHAIN 'F' AND (RESID 85 THROUGH 149 ) REMARK 3 ORIGIN FOR THE GROUP (A): 3.1721 25.2663 72.7406 REMARK 3 T TENSOR REMARK 3 T11: 0.8071 T22: 0.6113 REMARK 3 T33: 1.3528 T12: -0.0302 REMARK 3 T13: 0.4648 T23: 0.0738 REMARK 3 L TENSOR REMARK 3 L11: 1.3182 L22: 1.1508 REMARK 3 L33: 4.0509 L12: 0.7624 REMARK 3 L13: -0.0133 L23: 2.3997 REMARK 3 S TENSOR REMARK 3 S11: -0.0219 S12: 0.0949 S13: -0.0883 REMARK 3 S21: 0.6665 S22: -0.5125 S23: 1.0122 REMARK 3 S31: 0.3666 S32: -1.3548 S33: 0.4053 REMARK 3 TLS GROUP : 29 REMARK 3 SELECTION: CHAIN 'F' AND (RESID 150 THROUGH 190 ) REMARK 3 ORIGIN FOR THE GROUP (A): 1.4132 31.5305 95.5840 REMARK 3 T TENSOR REMARK 3 T11: 1.3832 T22: 1.0197 REMARK 3 T33: 1.4901 T12: -0.3145 REMARK 3 T13: 0.6197 T23: -0.1940 REMARK 3 L TENSOR REMARK 3 L11: 4.8334 L22: 6.5977 REMARK 3 L33: 8.6732 L12: 2.5395 REMARK 3 L13: 4.4056 L23: 4.3635 REMARK 3 S TENSOR REMARK 3 S11: -0.1014 S12: -1.4896 S13: 0.6404 REMARK 3 S21: 1.0756 S22: -0.4899 S23: 1.4811 REMARK 3 S31: 1.0207 S32: -0.1802 S33: 0.6097 REMARK 3 TLS GROUP : 30 REMARK 3 SELECTION: CHAIN 'F' AND (RESID 191 THROUGH 228 ) REMARK 3 ORIGIN FOR THE GROUP (A): -2.1554 35.9458 101.0698 REMARK 3 T TENSOR REMARK 3 T11: 1.4437 T22: 1.2681 REMARK 3 T33: 1.2526 T12: -0.3615 REMARK 3 T13: 0.6023 T23: -0.2743 REMARK 3 L TENSOR REMARK 3 L11: 4.4364 L22: 3.3460 REMARK 3 L33: 8.7304 L12: -1.3648 REMARK 3 L13: 3.7304 L23: 3.0184 REMARK 3 S TENSOR REMARK 3 S11: 0.0861 S12: -0.9043 S13: 0.1501 REMARK 3 S21: -0.7660 S22: 0.0945 S23: -0.7369 REMARK 3 S31: -1.0700 S32: -2.1848 S33: -0.2334 REMARK 3 TLS GROUP : 31 REMARK 3 SELECTION: CHAIN 'G' AND (RESID 1 THROUGH 7 ) REMARK 3 ORIGIN FOR THE GROUP (A): 25.6183 21.5861 71.7317 REMARK 3 T TENSOR REMARK 3 T11: 0.6536 T22: 0.4467 REMARK 3 T33: 0.6466 T12: 0.2233 REMARK 3 T13: 0.1585 T23: 0.1350 REMARK 3 L TENSOR REMARK 3 L11: 8.9788 L22: 2.9393 REMARK 3 L33: 6.6465 L12: -2.2323 REMARK 3 L13: -0.8508 L23: -3.7522 REMARK 3 S TENSOR REMARK 3 S11: 0.6173 S12: -0.3048 S13: -0.0509 REMARK 3 S21: 0.0078 S22: -0.1194 S23: 1.0644 REMARK 3 S31: 0.2849 S32: 0.1673 S33: -0.3368 REMARK 3 TLS GROUP : 32 REMARK 3 SELECTION: CHAIN 'G' AND (RESID 8 THROUGH 18 ) REMARK 3 ORIGIN FOR THE GROUP (A): 29.2810 39.1259 82.1024 REMARK 3 T TENSOR REMARK 3 T11: 1.3195 T22: 0.4947 REMARK 3 T33: 0.5184 T12: 0.1134 REMARK 3 T13: 0.1651 T23: 0.0028 REMARK 3 L TENSOR REMARK 3 L11: 3.5863 L22: 4.5008 REMARK 3 L33: 4.7795 L12: 2.9239 REMARK 3 L13: -2.8777 L23: -4.6271 REMARK 3 S TENSOR REMARK 3 S11: -0.0534 S12: -0.2584 S13: 0.5749 REMARK 3 S21: -0.1397 S22: 0.4456 S23: 0.8699 REMARK 3 S31: 0.1979 S32: 0.7849 S33: -0.4150 REMARK 3 TLS GROUP : 33 REMARK 3 SELECTION: CHAIN 'G' AND (RESID 19 THROUGH 25 ) REMARK 3 ORIGIN FOR THE GROUP (A): 29.9234 29.3707 72.8173 REMARK 3 T TENSOR REMARK 3 T11: 1.0346 T22: 0.3496 REMARK 3 T33: 0.3308 T12: 0.1144 REMARK 3 T13: 0.2169 T23: 0.0866 REMARK 3 L TENSOR REMARK 3 L11: 6.2104 L22: 6.8882 REMARK 3 L33: 4.9294 L12: 0.3629 REMARK 3 L13: 2.6766 L23: 5.2168 REMARK 3 S TENSOR REMARK 3 S11: 0.5114 S12: -0.0391 S13: -0.5384 REMARK 3 S21: 0.5873 S22: 0.1031 S23: 0.3602 REMARK 3 S31: 0.0549 S32: 1.1601 S33: 0.0099 REMARK 3 TLS GROUP : 34 REMARK 3 SELECTION: CHAIN 'G' AND (RESID 26 THROUGH 38 ) REMARK 3 ORIGIN FOR THE GROUP (A): 27.8166 23.6131 57.7355 REMARK 3 T TENSOR REMARK 3 T11: 0.4805 T22: 0.3330 REMARK 3 T33: 0.5695 T12: 0.0695 REMARK 3 T13: 0.0617 T23: -0.0084 REMARK 3 L TENSOR REMARK 3 L11: 3.8994 L22: 3.3559 REMARK 3 L33: 9.6153 L12: 0.4830 REMARK 3 L13: 1.4399 L23: 0.6490 REMARK 3 S TENSOR REMARK 3 S11: 0.3379 S12: 0.2401 S13: -0.5501 REMARK 3 S21: -0.7131 S22: 0.9347 S23: 0.8436 REMARK 3 S31: 0.0401 S32: 0.4584 S33: -0.6763 REMARK 3 TLS GROUP : 35 REMARK 3 SELECTION: CHAIN 'G' AND (RESID 39 THROUGH 54 ) REMARK 3 ORIGIN FOR THE GROUP (A): 17.2490 34.8917 71.1766 REMARK 3 T TENSOR REMARK 3 T11: 0.8586 T22: 0.1666 REMARK 3 T33: 0.9593 T12: 0.3871 REMARK 3 T13: 0.4539 T23: 0.1519 REMARK 3 L TENSOR REMARK 3 L11: 2.2678 L22: 2.5593 REMARK 3 L33: 2.8769 L12: -0.8277 REMARK 3 L13: 0.2438 L23: 2.1513 REMARK 3 S TENSOR REMARK 3 S11: -0.5697 S12: -0.6149 S13: -0.0800 REMARK 3 S21: 0.9831 S22: 0.3494 S23: 1.7387 REMARK 3 S31: -0.3319 S32: -0.5133 S33: -0.0153 REMARK 3 TLS GROUP : 36 REMARK 3 SELECTION: CHAIN 'G' AND (RESID 55 THROUGH 75 ) REMARK 3 ORIGIN FOR THE GROUP (A): 23.3399 40.5600 63.8944 REMARK 3 T TENSOR REMARK 3 T11: 0.9517 T22: 0.3441 REMARK 3 T33: 0.7498 T12: 0.0558 REMARK 3 T13: 0.2003 T23: 0.1471 REMARK 3 L TENSOR REMARK 3 L11: 2.3239 L22: 5.0210 REMARK 3 L33: 4.9570 L12: -0.6916 REMARK 3 L13: 1.9193 L23: 2.7097 REMARK 3 S TENSOR REMARK 3 S11: -0.3562 S12: 0.2299 S13: 0.9202 REMARK 3 S21: -0.4546 S22: 0.1548 S23: 0.3087 REMARK 3 S31: -1.8864 S32: 0.3466 S33: -0.0217 REMARK 3 TLS GROUP : 37 REMARK 3 SELECTION: CHAIN 'G' AND (RESID 76 THROUGH 106 ) REMARK 3 ORIGIN FOR THE GROUP (A): 26.1815 34.7786 71.6335 REMARK 3 T TENSOR REMARK 3 T11: 0.8440 T22: 0.3417 REMARK 3 T33: 0.5754 T12: 0.1299 REMARK 3 T13: 0.2122 T23: 0.0293 REMARK 3 L TENSOR REMARK 3 L11: 3.8393 L22: 2.4615 REMARK 3 L33: 5.0754 L12: -0.8827 REMARK 3 L13: -1.9863 L23: 3.3593 REMARK 3 S TENSOR REMARK 3 S11: 0.1127 S12: -0.4900 S13: 0.6097 REMARK 3 S21: 0.5464 S22: 0.5597 S23: 0.0523 REMARK 3 S31: -0.4604 S32: 0.6713 S33: -0.5909 REMARK 3 TLS GROUP : 38 REMARK 3 SELECTION: CHAIN 'G' AND (RESID 107 THROUGH 121 ) REMARK 3 ORIGIN FOR THE GROUP (A): 19.8436 22.3595 66.3358 REMARK 3 T TENSOR REMARK 3 T11: 0.7188 T22: 0.3566 REMARK 3 T33: 0.6343 T12: 0.0761 REMARK 3 T13: 0.1272 T23: 0.0688 REMARK 3 L TENSOR REMARK 3 L11: 3.3597 L22: 0.2477 REMARK 3 L33: 5.1676 L12: 0.1122 REMARK 3 L13: -0.9551 L23: 1.0585 REMARK 3 S TENSOR REMARK 3 S11: -1.0342 S12: -0.2657 S13: -0.5582 REMARK 3 S21: 1.0473 S22: 0.6452 S23: 0.5555 REMARK 3 S31: 0.3695 S32: -0.3894 S33: 0.0505 REMARK 3 TLS GROUP : 39 REMARK 3 SELECTION: CHAIN 'G' AND (RESID 122 THROUGH 158 ) REMARK 3 ORIGIN FOR THE GROUP (A): 23.4812 37.8620 89.8789 REMARK 3 T TENSOR REMARK 3 T11: 1.9761 T22: 0.2945 REMARK 3 T33: 0.5937 T12: 0.1485 REMARK 3 T13: 0.8503 T23: -0.2946 REMARK 3 L TENSOR REMARK 3 L11: 1.3305 L22: 4.0989 REMARK 3 L33: 2.7405 L12: -2.0148 REMARK 3 L13: -0.1129 L23: 1.8944 REMARK 3 S TENSOR REMARK 3 S11: 0.6630 S12: -0.4840 S13: 0.2652 REMARK 3 S21: 1.5694 S22: 0.3066 S23: 1.0406 REMARK 3 S31: -0.1634 S32: 0.2366 S33: 1.3567 REMARK 3 TLS GROUP : 40 REMARK 3 SELECTION: CHAIN 'G' AND (RESID 159 THROUGH 183 ) REMARK 3 ORIGIN FOR THE GROUP (A): 17.9762 29.0961 94.0791 REMARK 3 T TENSOR REMARK 3 T11: 2.0014 T22: 0.5842 REMARK 3 T33: 0.7810 T12: 0.0638 REMARK 3 T13: 0.3502 T23: -0.0960 REMARK 3 L TENSOR REMARK 3 L11: 5.3887 L22: 1.1937 REMARK 3 L33: 2.1032 L12: 2.3205 REMARK 3 L13: 1.0828 L23: 1.1011 REMARK 3 S TENSOR REMARK 3 S11: 1.2049 S12: 1.0435 S13: 1.0354 REMARK 3 S21: 0.7519 S22: -0.6194 S23: 0.7772 REMARK 3 S31: -0.0485 S32: -0.6364 S33: -0.3925 REMARK 3 TLS GROUP : 41 REMARK 3 SELECTION: CHAIN 'G' AND (RESID 184 THROUGH 197 ) REMARK 3 ORIGIN FOR THE GROUP (A): 15.8355 36.9519 93.3400 REMARK 3 T TENSOR REMARK 3 T11: 1.9546 T22: 0.5090 REMARK 3 T33: 0.9247 T12: 0.0627 REMARK 3 T13: 0.6628 T23: -0.2044 REMARK 3 L TENSOR REMARK 3 L11: 6.4529 L22: -0.0060 REMARK 3 L33: 1.6518 L12: 0.1486 REMARK 3 L13: 3.2657 L23: 0.0517 REMARK 3 S TENSOR REMARK 3 S11: -0.1309 S12: -1.0351 S13: 0.8121 REMARK 3 S21: 0.4030 S22: -0.5169 S23: 0.6753 REMARK 3 S31: 0.6982 S32: -0.8095 S33: 0.6399 REMARK 3 TLS GROUP : 42 REMARK 3 SELECTION: CHAIN 'H' AND (RESID 1 THROUGH 18 ) REMARK 3 ORIGIN FOR THE GROUP (A): -1.0532 38.5544 15.7069 REMARK 3 T TENSOR REMARK 3 T11: 1.1592 T22: 0.4529 REMARK 3 T33: 0.7844 T12: 0.0265 REMARK 3 T13: -0.0381 T23: -0.1196 REMARK 3 L TENSOR REMARK 3 L11: 4.8747 L22: 2.2133 REMARK 3 L33: 5.0821 L12: -3.0099 REMARK 3 L13: 1.6334 L23: 0.3098 REMARK 3 S TENSOR REMARK 3 S11: -0.3871 S12: -0.4619 S13: 0.3384 REMARK 3 S21: -0.1896 S22: 0.3918 S23: 0.7201 REMARK 3 S31: -0.4769 S32: -0.5534 S33: -0.0240 REMARK 3 TLS GROUP : 43 REMARK 3 SELECTION: CHAIN 'H' AND (RESID 19 THROUGH 67 ) REMARK 3 ORIGIN FOR THE GROUP (A): 8.8773 34.4706 20.0416 REMARK 3 T TENSOR REMARK 3 T11: 0.5900 T22: 0.5320 REMARK 3 T33: 0.4960 T12: -0.0713 REMARK 3 T13: -0.0704 T23: -0.0694 REMARK 3 L TENSOR REMARK 3 L11: 4.6190 L22: 7.1953 REMARK 3 L33: 8.2499 L12: -0.2358 REMARK 3 L13: -1.3338 L23: -2.8265 REMARK 3 S TENSOR REMARK 3 S11: -0.1421 S12: -0.9662 S13: 0.3145 REMARK 3 S21: -0.0378 S22: -0.0398 S23: -0.1452 REMARK 3 S31: -1.2845 S32: 0.5314 S33: 0.2292 REMARK 3 TLS GROUP : 44 REMARK 3 SELECTION: CHAIN 'H' AND (RESID 68 THROUGH 91 ) REMARK 3 ORIGIN FOR THE GROUP (A): 8.9597 41.1524 19.7667 REMARK 3 T TENSOR REMARK 3 T11: 1.1221 T22: 0.6443 REMARK 3 T33: 0.7370 T12: -0.1007 REMARK 3 T13: -0.2026 T23: -0.0556 REMARK 3 L TENSOR REMARK 3 L11: 4.2297 L22: 1.6851 REMARK 3 L33: 5.9348 L12: 0.2532 REMARK 3 L13: -3.6134 L23: -2.3750 REMARK 3 S TENSOR REMARK 3 S11: -0.1063 S12: -0.4116 S13: 0.6086 REMARK 3 S21: 0.0841 S22: 0.0204 S23: -0.1570 REMARK 3 S31: -0.7748 S32: 0.7723 S33: -0.0774 REMARK 3 TLS GROUP : 45 REMARK 3 SELECTION: CHAIN 'H' AND (RESID 92 THROUGH 150 ) REMARK 3 ORIGIN FOR THE GROUP (A): 1.5724 33.3974 7.8895 REMARK 3 T TENSOR REMARK 3 T11: 0.5731 T22: 0.5673 REMARK 3 T33: 0.6091 T12: -0.0043 REMARK 3 T13: 0.0216 T23: 0.0098 REMARK 3 L TENSOR REMARK 3 L11: 1.2257 L22: 0.6129 REMARK 3 L33: 8.2602 L12: -0.6628 REMARK 3 L13: 2.4194 L23: -0.7731 REMARK 3 S TENSOR REMARK 3 S11: -0.2114 S12: -0.1070 S13: 0.0734 REMARK 3 S21: 0.2665 S22: 0.0908 S23: 0.1421 REMARK 3 S31: -1.2445 S32: -0.7585 S33: 0.2007 REMARK 3 TLS GROUP : 46 REMARK 3 SELECTION: CHAIN 'H' AND (RESID 151 THROUGH 169 ) REMARK 3 ORIGIN FOR THE GROUP (A): -11.8931 31.9452 -9.1471 REMARK 3 T TENSOR REMARK 3 T11: 0.7134 T22: 0.7543 REMARK 3 T33: 0.5091 T12: 0.1575 REMARK 3 T13: 0.0078 T23: 0.0178 REMARK 3 L TENSOR REMARK 3 L11: 5.5890 L22: 6.2592 REMARK 3 L33: 5.5680 L12: 0.3786 REMARK 3 L13: 0.0835 L23: 0.6972 REMARK 3 S TENSOR REMARK 3 S11: 0.1802 S12: 0.1715 S13: 0.7841 REMARK 3 S21: 0.3981 S22: -0.3354 S23: 1.0538 REMARK 3 S31: -0.7390 S32: -0.8947 S33: -0.0129 REMARK 3 TLS GROUP : 47 REMARK 3 SELECTION: CHAIN 'H' AND (RESID 170 THROUGH 209 ) REMARK 3 ORIGIN FOR THE GROUP (A): -13.2444 25.3146 -12.6421 REMARK 3 T TENSOR REMARK 3 T11: 0.4180 T22: 0.6743 REMARK 3 T33: 0.8028 T12: 0.0875 REMARK 3 T13: 0.0607 T23: -0.0590 REMARK 3 L TENSOR REMARK 3 L11: 3.1977 L22: 6.8620 REMARK 3 L33: 4.8336 L12: 3.4538 REMARK 3 L13: 0.2255 L23: -0.0621 REMARK 3 S TENSOR REMARK 3 S11: 0.0510 S12: 0.4038 S13: -0.2001 REMARK 3 S21: 0.9309 S22: 0.1166 S23: 0.3644 REMARK 3 S31: 0.1948 S32: -0.9180 S33: 0.0333 REMARK 3 TLS GROUP : 48 REMARK 3 SELECTION: CHAIN 'H' AND (RESID 210 THROUGH 229 ) REMARK 3 ORIGIN FOR THE GROUP (A): -19.6975 33.1657 -11.5491 REMARK 3 T TENSOR REMARK 3 T11: 0.8373 T22: 1.0309 REMARK 3 T33: 0.8702 T12: 0.2193 REMARK 3 T13: -0.0140 T23: -0.0805 REMARK 3 L TENSOR REMARK 3 L11: 3.3415 L22: 2.8859 REMARK 3 L33: 3.0312 L12: 0.2352 REMARK 3 L13: 0.3245 L23: 2.9267 REMARK 3 S TENSOR REMARK 3 S11: -0.2466 S12: -0.0897 S13: 0.3457 REMARK 3 S21: 0.6900 S22: -0.3037 S23: 0.4402 REMARK 3 S31: -0.6874 S32: -1.4340 S33: 0.5181 REMARK 3 TLS GROUP : 49 REMARK 3 SELECTION: CHAIN 'I' AND (RESID 1 THROUGH 18 ) REMARK 3 ORIGIN FOR THE GROUP (A): 13.6360 14.3984 4.1441 REMARK 3 T TENSOR REMARK 3 T11: 0.4124 T22: 0.4653 REMARK 3 T33: 0.6428 T12: 0.1277 REMARK 3 T13: 0.0665 T23: -0.0051 REMARK 3 L TENSOR REMARK 3 L11: 7.6389 L22: 3.8323 REMARK 3 L33: 8.4099 L12: 2.8272 REMARK 3 L13: 2.9912 L23: 1.9670 REMARK 3 S TENSOR REMARK 3 S11: 0.0804 S12: 0.6473 S13: 0.1995 REMARK 3 S21: -0.1332 S22: -0.1170 S23: 0.1896 REMARK 3 S31: 0.0892 S32: 0.4660 S33: -0.1170 REMARK 3 TLS GROUP : 50 REMARK 3 SELECTION: CHAIN 'I' AND (RESID 19 THROUGH 91 ) REMARK 3 ORIGIN FOR THE GROUP (A): 13.5787 15.0387 14.5282 REMARK 3 T TENSOR REMARK 3 T11: 0.5137 T22: 0.4135 REMARK 3 T33: 0.4269 T12: 0.0077 REMARK 3 T13: -0.0736 T23: 0.0843 REMARK 3 L TENSOR REMARK 3 L11: 5.8810 L22: 3.2262 REMARK 3 L33: 7.3839 L12: 1.3300 REMARK 3 L13: 1.4852 L23: 2.3925 REMARK 3 S TENSOR REMARK 3 S11: 0.3343 S12: -0.0577 S13: -0.2309 REMARK 3 S21: 0.2785 S22: -0.1949 S23: -0.0798 REMARK 3 S31: 0.1747 S32: 0.4764 S33: -0.1556 REMARK 3 TLS GROUP : 51 REMARK 3 SELECTION: CHAIN 'I' AND (RESID 92 THROUGH 122 ) REMARK 3 ORIGIN FOR THE GROUP (A): 11.3659 18.4536 10.8046 REMARK 3 T TENSOR REMARK 3 T11: 0.5060 T22: 0.4635 REMARK 3 T33: 0.3560 T12: 0.0216 REMARK 3 T13: 0.0273 T23: 0.0772 REMARK 3 L TENSOR REMARK 3 L11: 5.2570 L22: 3.7094 REMARK 3 L33: 8.0256 L12: 1.5532 REMARK 3 L13: 3.1546 L23: 1.4684 REMARK 3 S TENSOR REMARK 3 S11: 0.3263 S12: -0.5682 S13: -0.0285 REMARK 3 S21: -0.2625 S22: -0.5138 S23: 0.0703 REMARK 3 S31: -0.5129 S32: 0.2340 S33: 0.0049 REMARK 3 TLS GROUP : 52 REMARK 3 SELECTION: CHAIN 'I' AND (RESID 123 THROUGH 133 ) REMARK 3 ORIGIN FOR THE GROUP (A): 2.3184 10.1620 -7.2237 REMARK 3 T TENSOR REMARK 3 T11: 0.7823 T22: 0.5198 REMARK 3 T33: 0.7030 T12: 0.0389 REMARK 3 T13: -0.0751 T23: 0.0081 REMARK 3 L TENSOR REMARK 3 L11: 1.5925 L22: 0.8488 REMARK 3 L33: 7.8566 L12: -0.1714 REMARK 3 L13: 0.1373 L23: -2.1649 REMARK 3 S TENSOR REMARK 3 S11: 0.5687 S12: -0.2726 S13: -0.0897 REMARK 3 S21: 0.0572 S22: 0.0359 S23: 0.1666 REMARK 3 S31: 0.7415 S32: 0.3402 S33: 0.0338 REMARK 3 TLS GROUP : 53 REMARK 3 SELECTION: CHAIN 'I' AND (RESID 134 THROUGH 148 ) REMARK 3 ORIGIN FOR THE GROUP (A): -9.5087 32.0395 -23.1119 REMARK 3 T TENSOR REMARK 3 T11: 0.8020 T22: 0.8540 REMARK 3 T33: 0.8782 T12: 0.4151 REMARK 3 T13: -0.0264 T23: -0.0590 REMARK 3 L TENSOR REMARK 3 L11: 3.3301 L22: 5.5749 REMARK 3 L33: 7.4463 L12: -0.0486 REMARK 3 L13: 0.2061 L23: -2.0806 REMARK 3 S TENSOR REMARK 3 S11: 0.0603 S12: 0.0701 S13: 0.7804 REMARK 3 S21: -0.4519 S22: 0.4564 S23: 0.6750 REMARK 3 S31: -1.1893 S32: -0.9050 S33: -0.3642 REMARK 3 TLS GROUP : 54 REMARK 3 SELECTION: CHAIN 'I' AND (RESID 149 THROUGH 170 ) REMARK 3 ORIGIN FOR THE GROUP (A): 0.5903 23.0138 -18.0155 REMARK 3 T TENSOR REMARK 3 T11: 0.4566 T22: 0.4279 REMARK 3 T33: 0.5754 T12: 0.0973 REMARK 3 T13: -0.1232 T23: -0.0964 REMARK 3 L TENSOR REMARK 3 L11: 2.1436 L22: 4.7121 REMARK 3 L33: 8.1499 L12: -0.1101 REMARK 3 L13: 0.1567 L23: -3.9594 REMARK 3 S TENSOR REMARK 3 S11: -0.0460 S12: -0.1764 S13: 0.0239 REMARK 3 S21: 0.3592 S22: 0.1618 S23: 0.1099 REMARK 3 S31: -0.5098 S32: 0.0605 S33: -0.0364 REMARK 3 TLS GROUP : 55 REMARK 3 SELECTION: CHAIN 'I' AND (RESID 171 THROUGH 194 ) REMARK 3 ORIGIN FOR THE GROUP (A): 0.8526 23.1821 -14.1270 REMARK 3 T TENSOR REMARK 3 T11: 0.5301 T22: 0.6439 REMARK 3 T33: 0.6796 T12: -0.0024 REMARK 3 T13: 0.0144 T23: -0.1201 REMARK 3 L TENSOR REMARK 3 L11: 1.3844 L22: 1.9884 REMARK 3 L33: 9.1524 L12: -0.1972 REMARK 3 L13: -0.3834 L23: -3.1529 REMARK 3 S TENSOR REMARK 3 S11: 0.2492 S12: -0.2023 S13: -0.0369 REMARK 3 S21: 0.7231 S22: 0.1014 S23: 0.1078 REMARK 3 S31: -0.6323 S32: -0.0780 S33: -0.0394 REMARK 3 TLS GROUP : 56 REMARK 3 SELECTION: CHAIN 'I' AND (RESID 195 THROUGH 233 ) REMARK 3 ORIGIN FOR THE GROUP (A): -0.0148 27.4951 -25.8387 REMARK 3 T TENSOR REMARK 3 T11: 0.3849 T22: 0.5226 REMARK 3 T33: 0.5444 T12: -0.0367 REMARK 3 T13: -0.0907 T23: -0.0157 REMARK 3 L TENSOR REMARK 3 L11: 2.2407 L22: 3.8385 REMARK 3 L33: 7.6480 L12: 0.2555 REMARK 3 L13: 0.4143 L23: -3.5464 REMARK 3 S TENSOR REMARK 3 S11: -0.0268 S12: 0.3952 S13: 0.1253 REMARK 3 S21: -0.1417 S22: -0.0775 S23: -0.4656 REMARK 3 S31: -0.4622 S32: -0.5438 S33: -0.0850 REMARK 3 TLS GROUP : 57 REMARK 3 SELECTION: CHAIN 'J' AND (RESID 29 THROUGH 85 ) REMARK 3 ORIGIN FOR THE GROUP (A): 28.3057 20.6550 41.9341 REMARK 3 T TENSOR REMARK 3 T11: 0.9076 T22: 0.7791 REMARK 3 T33: 0.6041 T12: -0.0452 REMARK 3 T13: -0.1583 T23: 0.0703 REMARK 3 L TENSOR REMARK 3 L11: 5.7952 L22: 5.5887 REMARK 3 L33: 2.7394 L12: -0.5115 REMARK 3 L13: 0.9481 L23: 0.4469 REMARK 3 S TENSOR REMARK 3 S11: 0.2587 S12: -0.3605 S13: -0.1956 REMARK 3 S21: -0.3704 S22: -0.0783 S23: -0.2493 REMARK 3 S31: 0.8436 S32: 0.7151 S33: -0.2664 REMARK 3 TLS GROUP : 58 REMARK 3 SELECTION: CHAIN 'J' AND (RESID 86 THROUGH 101 ) REMARK 3 ORIGIN FOR THE GROUP (A): 31.9064 23.3927 35.3863 REMARK 3 T TENSOR REMARK 3 T11: 0.5305 T22: 1.4054 REMARK 3 T33: 0.7111 T12: -0.0799 REMARK 3 T13: 0.0421 T23: 0.1139 REMARK 3 L TENSOR REMARK 3 L11: 2.8222 L22: 2.8033 REMARK 3 L33: 8.7538 L12: 1.4972 REMARK 3 L13: 2.9794 L23: 2.7430 REMARK 3 S TENSOR REMARK 3 S11: 0.2010 S12: 0.9081 S13: 0.0042 REMARK 3 S21: -0.5125 S22: -0.2031 S23: -1.2862 REMARK 3 S31: -0.4791 S32: 2.1290 S33: -0.1929 REMARK 3 TLS GROUP : 59 REMARK 3 SELECTION: CHAIN 'J' AND (RESID 102 THROUGH 134 ) REMARK 3 ORIGIN FOR THE GROUP (A): 18.6677 23.4799 42.1840 REMARK 3 T TENSOR REMARK 3 T11: 0.5534 T22: 0.8555 REMARK 3 T33: 0.5779 T12: 0.0415 REMARK 3 T13: -0.0578 T23: 0.1570 REMARK 3 L TENSOR REMARK 3 L11: 2.7794 L22: 2.7002 REMARK 3 L33: 2.4559 L12: 0.8310 REMARK 3 L13: 1.9189 L23: 2.2022 REMARK 3 S TENSOR REMARK 3 S11: -0.2860 S12: -0.1873 S13: -0.3620 REMARK 3 S21: -0.1606 S22: 0.0668 S23: 0.4281 REMARK 3 S31: -0.5661 S32: -0.1024 S33: 0.3744 REMARK 3 TLS GROUP : 60 REMARK 3 SELECTION: CHAIN 'J' AND (RESID 135 THROUGH 151 ) REMARK 3 ORIGIN FOR THE GROUP (A): 20.8293 24.4519 31.7184 REMARK 3 T TENSOR REMARK 3 T11: 0.7489 T22: 0.9582 REMARK 3 T33: 0.5913 T12: -0.0791 REMARK 3 T13: -0.0965 T23: 0.1537 REMARK 3 L TENSOR REMARK 3 L11: 4.4293 L22: 4.6514 REMARK 3 L33: 3.2559 L12: 0.9811 REMARK 3 L13: 3.0646 L23: 2.7075 REMARK 3 S TENSOR REMARK 3 S11: -0.5655 S12: -0.1028 S13: 0.6708 REMARK 3 S21: 0.1818 S22: 0.2971 S23: -0.0620 REMARK 3 S31: -1.6038 S32: 0.0623 S33: 0.3050 REMARK 3 TLS GROUP : 61 REMARK 3 SELECTION: CHAIN 'K' AND (RESID 1 THROUGH 91 ) REMARK 3 ORIGIN FOR THE GROUP (A): 4.7093 68.8135 -8.6158 REMARK 3 T TENSOR REMARK 3 T11: 0.6952 T22: 1.0727 REMARK 3 T33: 0.9227 T12: 0.1939 REMARK 3 T13: -0.1277 T23: -0.5075 REMARK 3 L TENSOR REMARK 3 L11: 2.9759 L22: 5.4545 REMARK 3 L33: 3.5316 L12: 0.9478 REMARK 3 L13: 1.7688 L23: 0.6690 REMARK 3 S TENSOR REMARK 3 S11: -0.2013 S12: -0.2115 S13: 0.0551 REMARK 3 S21: -0.2418 S22: -0.6757 S23: 1.0425 REMARK 3 S31: -0.6165 S32: -1.1034 S33: 0.7296 REMARK 3 TLS GROUP : 62 REMARK 3 SELECTION: CHAIN 'K' AND (RESID 92 THROUGH 228 ) REMARK 3 ORIGIN FOR THE GROUP (A): 2.1475 62.8255 -36.3858 REMARK 3 T TENSOR REMARK 3 T11: 0.8642 T22: 0.6451 REMARK 3 T33: 0.7529 T12: 0.1333 REMARK 3 T13: -0.0952 T23: -0.1282 REMARK 3 L TENSOR REMARK 3 L11: 2.0084 L22: -0.4326 REMARK 3 L33: 5.6773 L12: 0.0015 REMARK 3 L13: 2.3208 L23: -0.3810 REMARK 3 S TENSOR REMARK 3 S11: -0.0626 S12: 0.0148 S13: 0.3410 REMARK 3 S21: -0.1948 S22: -0.1155 S23: 0.0122 REMARK 3 S31: -0.3730 S32: -0.7141 S33: 0.1750 REMARK 3 TLS GROUP : 63 REMARK 3 SELECTION: CHAIN 'L' AND (RESID 1 THROUGH 38 ) REMARK 3 ORIGIN FOR THE GROUP (A): 29.2909 64.4856 -15.7255 REMARK 3 T TENSOR REMARK 3 T11: 0.7195 T22: 0.5382 REMARK 3 T33: 0.3927 T12: -0.1348 REMARK 3 T13: -0.1139 T23: 0.0104 REMARK 3 L TENSOR REMARK 3 L11: 3.3640 L22: 4.2497 REMARK 3 L33: 8.3331 L12: -0.3396 REMARK 3 L13: -1.2255 L23: 4.8204 REMARK 3 S TENSOR REMARK 3 S11: -0.1865 S12: 0.1621 S13: 0.0638 REMARK 3 S21: -0.7576 S22: 0.1344 S23: -0.0276 REMARK 3 S31: -0.8811 S32: 0.4044 S33: 0.0020 REMARK 3 TLS GROUP : 64 REMARK 3 SELECTION: CHAIN 'L' AND (RESID 39 THROUGH 133 ) REMARK 3 ORIGIN FOR THE GROUP (A): 23.4626 58.3741 -18.2173 REMARK 3 T TENSOR REMARK 3 T11: 0.4788 T22: 0.4655 REMARK 3 T33: 0.3923 T12: -0.0515 REMARK 3 T13: -0.0393 T23: 0.0337 REMARK 3 L TENSOR REMARK 3 L11: 3.2769 L22: 3.1127 REMARK 3 L33: 6.8350 L12: 0.2359 REMARK 3 L13: 1.1062 L23: 3.7558 REMARK 3 S TENSOR REMARK 3 S11: -0.2657 S12: -0.2926 S13: 0.0547 REMARK 3 S21: -0.2041 S22: -0.3144 S23: 0.4691 REMARK 3 S31: -0.7712 S32: -0.1703 S33: 0.5413 REMARK 3 TLS GROUP : 65 REMARK 3 SELECTION: CHAIN 'L' AND (RESID 134 THROUGH 148 ) REMARK 3 ORIGIN FOR THE GROUP (A): 4.5571 68.7852 -53.7733 REMARK 3 T TENSOR REMARK 3 T11: 0.9276 T22: 1.5154 REMARK 3 T33: 0.9450 T12: -0.0469 REMARK 3 T13: -0.2612 T23: 0.1626 REMARK 3 L TENSOR REMARK 3 L11: 7.5277 L22: 6.8233 REMARK 3 L33: 4.8402 L12: -6.4814 REMARK 3 L13: -4.4952 L23: 3.5782 REMARK 3 S TENSOR REMARK 3 S11: 0.8453 S12: 1.7403 S13: -0.0496 REMARK 3 S21: -0.0427 S22: -0.9954 S23: 0.2867 REMARK 3 S31: 0.0632 S32: -0.2227 S33: 0.0963 REMARK 3 TLS GROUP : 66 REMARK 3 SELECTION: CHAIN 'L' AND (RESID 149 THROUGH 170 ) REMARK 3 ORIGIN FOR THE GROUP (A): 16.3241 66.4775 -46.1130 REMARK 3 T TENSOR REMARK 3 T11: 1.4047 T22: 0.7673 REMARK 3 T33: 0.9984 T12: -0.0291 REMARK 3 T13: -0.2934 T23: 0.0945 REMARK 3 L TENSOR REMARK 3 L11: 3.3291 L22: 7.9469 REMARK 3 L33: 6.2751 L12: -1.6232 REMARK 3 L13: 3.9920 L23: -3.6602 REMARK 3 S TENSOR REMARK 3 S11: 0.6847 S12: 0.1109 S13: 1.0159 REMARK 3 S21: 0.3908 S22: -0.7034 S23: 0.8028 REMARK 3 S31: 0.1574 S32: 0.3479 S33: 0.0743 REMARK 3 TLS GROUP : 67 REMARK 3 SELECTION: CHAIN 'L' AND (RESID 171 THROUGH 183 ) REMARK 3 ORIGIN FOR THE GROUP (A): 15.1056 75.9928 -46.4130 REMARK 3 T TENSOR REMARK 3 T11: 1.3845 T22: 0.7889 REMARK 3 T33: 0.8878 T12: 0.0287 REMARK 3 T13: -0.2704 T23: -0.0354 REMARK 3 L TENSOR REMARK 3 L11: 7.9226 L22: 5.9217 REMARK 3 L33: 7.4224 L12: 5.3477 REMARK 3 L13: -2.5627 L23: -5.6091 REMARK 3 S TENSOR REMARK 3 S11: -0.7172 S12: 0.7526 S13: 1.3744 REMARK 3 S21: 0.3886 S22: 0.6903 S23: -0.2532 REMARK 3 S31: -1.7020 S32: -1.3074 S33: 0.2768 REMARK 3 TLS GROUP : 68 REMARK 3 SELECTION: CHAIN 'L' AND (RESID 184 THROUGH 194 ) REMARK 3 ORIGIN FOR THE GROUP (A): 16.9018 54.1753 -37.4202 REMARK 3 T TENSOR REMARK 3 T11: 1.0358 T22: 0.6268 REMARK 3 T33: 0.6071 T12: -0.0003 REMARK 3 T13: -0.1126 T23: -0.0228 REMARK 3 L TENSOR REMARK 3 L11: 3.7347 L22: 9.8811 REMARK 3 L33: 2.1083 L12: -6.0384 REMARK 3 L13: 2.7809 L23: -4.5642 REMARK 3 S TENSOR REMARK 3 S11: 0.2979 S12: -1.3809 S13: 0.3235 REMARK 3 S21: -0.4824 S22: 0.1832 S23: 0.3769 REMARK 3 S31: -0.9616 S32: -0.5117 S33: -0.4359 REMARK 3 TLS GROUP : 69 REMARK 3 SELECTION: CHAIN 'L' AND (RESID 195 THROUGH 218 ) REMARK 3 ORIGIN FOR THE GROUP (A): 11.8931 74.5427 -51.9979 REMARK 3 T TENSOR REMARK 3 T11: 1.4566 T22: 0.9733 REMARK 3 T33: 1.5185 T12: -0.1049 REMARK 3 T13: -0.1013 T23: 0.3991 REMARK 3 L TENSOR REMARK 3 L11: 8.1115 L22: 5.4918 REMARK 3 L33: 3.8206 L12: -5.2625 REMARK 3 L13: -4.2570 L23: 1.4740 REMARK 3 S TENSOR REMARK 3 S11: 0.1676 S12: 2.0591 S13: 2.6460 REMARK 3 S21: 0.1006 S22: -0.0040 S23: -1.0828 REMARK 3 S31: -1.2950 S32: -0.3562 S33: -0.0307 REMARK 3 TLS GROUP : 70 REMARK 3 SELECTION: CHAIN 'L' AND (RESID 219 THROUGH 233 ) REMARK 3 ORIGIN FOR THE GROUP (A): 19.3445 67.5617 -55.6891 REMARK 3 T TENSOR REMARK 3 T11: 1.3555 T22: 1.1988 REMARK 3 T33: 0.9098 T12: -0.2721 REMARK 3 T13: -0.2038 T23: 0.2185 REMARK 3 L TENSOR REMARK 3 L11: 5.4547 L22: 5.3447 REMARK 3 L33: 5.5598 L12: -5.5052 REMARK 3 L13: 5.5467 L23: -5.4453 REMARK 3 S TENSOR REMARK 3 S11: 0.7727 S12: 1.1725 S13: 0.9729 REMARK 3 S21: -1.5669 S22: -1.1756 S23: -0.2599 REMARK 3 S31: 0.5583 S32: 0.8457 S33: 0.4930 REMARK 3 TLS GROUP : 71 REMARK 3 SELECTION: CHAIN 'M' AND (RESID 1 THROUGH 18 ) REMARK 3 ORIGIN FOR THE GROUP (A): 1.1593 54.2837 39.6436 REMARK 3 T TENSOR REMARK 3 T11: 1.6700 T22: 0.8674 REMARK 3 T33: 0.5634 T12: -0.2220 REMARK 3 T13: 0.1108 T23: -0.2242 REMARK 3 L TENSOR REMARK 3 L11: 2.7857 L22: 0.4998 REMARK 3 L33: 4.7985 L12: 1.1452 REMARK 3 L13: -2.5151 L23: -0.7517 REMARK 3 S TENSOR REMARK 3 S11: 0.0577 S12: 0.6895 S13: -0.7067 REMARK 3 S21: 0.5943 S22: 0.1611 S23: 0.2767 REMARK 3 S31: 1.3314 S32: -0.5450 S33: -0.1045 REMARK 3 TLS GROUP : 72 REMARK 3 SELECTION: CHAIN 'M' AND (RESID 19 THROUGH 91 ) REMARK 3 ORIGIN FOR THE GROUP (A): 10.8427 56.5724 34.0793 REMARK 3 T TENSOR REMARK 3 T11: 0.9769 T22: 0.5917 REMARK 3 T33: 0.5532 T12: -0.0151 REMARK 3 T13: 0.0521 T23: -0.1567 REMARK 3 L TENSOR REMARK 3 L11: 2.3018 L22: 4.0892 REMARK 3 L33: 6.8639 L12: -0.2595 REMARK 3 L13: -0.7474 L23: -0.0692 REMARK 3 S TENSOR REMARK 3 S11: -0.1547 S12: 0.3075 S13: -0.2445 REMARK 3 S21: -0.1474 S22: 0.0098 S23: -0.0273 REMARK 3 S31: 1.7903 S32: -0.2588 S33: 0.2930 REMARK 3 TLS GROUP : 73 REMARK 3 SELECTION: CHAIN 'M' AND (RESID 92 THROUGH 126 ) REMARK 3 ORIGIN FOR THE GROUP (A): 9.1181 61.0613 38.0524 REMARK 3 T TENSOR REMARK 3 T11: 0.8041 T22: 0.6044 REMARK 3 T33: 0.4709 T12: -0.0145 REMARK 3 T13: 0.0407 T23: -0.1605 REMARK 3 L TENSOR REMARK 3 L11: 1.8933 L22: 4.1370 REMARK 3 L33: 6.3084 L12: 0.8533 REMARK 3 L13: -1.1489 L23: -0.3190 REMARK 3 S TENSOR REMARK 3 S11: -0.3236 S12: 0.3206 S13: -0.4330 REMARK 3 S21: 0.3538 S22: -0.3459 S23: -0.2607 REMARK 3 S31: 0.8580 S32: -0.9729 S33: 0.2857 REMARK 3 TLS GROUP : 74 REMARK 3 SELECTION: CHAIN 'M' AND (RESID 127 THROUGH 149 ) REMARK 3 ORIGIN FOR THE GROUP (A): -9.5175 58.0940 66.7568 REMARK 3 T TENSOR REMARK 3 T11: 1.0079 T22: 1.6870 REMARK 3 T33: 0.7217 T12: -0.4942 REMARK 3 T13: 0.0064 T23: -0.1784 REMARK 3 L TENSOR REMARK 3 L11: 3.4403 L22: 5.5049 REMARK 3 L33: 7.9827 L12: -1.6957 REMARK 3 L13: -2.3413 L23: 3.7924 REMARK 3 S TENSOR REMARK 3 S11: -0.4060 S12: 0.7871 S13: -0.6622 REMARK 3 S21: -0.2541 S22: -0.6827 S23: 0.7170 REMARK 3 S31: 1.2403 S32: -2.7469 S33: 0.8195 REMARK 3 TLS GROUP : 75 REMARK 3 SELECTION: CHAIN 'M' AND (RESID 150 THROUGH 180 ) REMARK 3 ORIGIN FOR THE GROUP (A): -11.4168 67.1561 63.2180 REMARK 3 T TENSOR REMARK 3 T11: 0.9613 T22: 2.2345 REMARK 3 T33: 0.6814 T12: 0.1115 REMARK 3 T13: -0.1027 T23: -0.1786 REMARK 3 L TENSOR REMARK 3 L11: 1.4257 L22: 2.4049 REMARK 3 L33: 4.9090 L12: 1.4992 REMARK 3 L13: 0.1268 L23: -1.3614 REMARK 3 S TENSOR REMARK 3 S11: -0.3031 S12: 0.8337 S13: -0.0215 REMARK 3 S21: -0.6286 S22: -0.0121 S23: 1.4534 REMARK 3 S31: 0.4935 S32: -3.7123 S33: 0.3382 REMARK 3 TLS GROUP : 76 REMARK 3 SELECTION: CHAIN 'M' AND (RESID 181 THROUGH 200 ) REMARK 3 ORIGIN FOR THE GROUP (A): -4.5500 63.7844 64.4409 REMARK 3 T TENSOR REMARK 3 T11: 1.0242 T22: 1.2897 REMARK 3 T33: 0.5091 T12: -0.1572 REMARK 3 T13: -0.0653 T23: -0.1601 REMARK 3 L TENSOR REMARK 3 L11: 3.9745 L22: 4.0607 REMARK 3 L33: 7.4346 L12: 1.5393 REMARK 3 L13: -2.6568 L23: -0.9091 REMARK 3 S TENSOR REMARK 3 S11: -0.2866 S12: 0.1962 S13: 0.0825 REMARK 3 S21: -0.7892 S22: 0.3214 S23: -0.7440 REMARK 3 S31: 0.9789 S32: -2.7857 S33: 0.3243 REMARK 3 TLS GROUP : 77 REMARK 3 SELECTION: CHAIN 'M' AND (RESID 201 THROUGH 230 ) REMARK 3 ORIGIN FOR THE GROUP (A): -18.4850 66.2699 68.2155 REMARK 3 T TENSOR REMARK 3 T11: 1.1151 T22: 2.5405 REMARK 3 T33: 0.8648 T12: 0.0623 REMARK 3 T13: -0.0736 T23: -0.1337 REMARK 3 L TENSOR REMARK 3 L11: 1.2554 L22: 2.3500 REMARK 3 L33: 4.2865 L12: 1.7248 REMARK 3 L13: 1.8963 L23: 2.6739 REMARK 3 S TENSOR REMARK 3 S11: 0.0520 S12: 1.0510 S13: 0.6264 REMARK 3 S21: -0.5936 S22: 0.5897 S23: -0.1637 REMARK 3 S31: -0.1129 S32: -2.5921 S33: -0.4094 REMARK 3 TLS GROUP : 78 REMARK 3 SELECTION: CHAIN 'N' AND (RESID 1 THROUGH 18 ) REMARK 3 ORIGIN FOR THE GROUP (A): 16.8636 78.7424 49.8404 REMARK 3 T TENSOR REMARK 3 T11: 1.5066 T22: 0.4012 REMARK 3 T33: 0.6860 T12: 0.2468 REMARK 3 T13: -0.0743 T23: -0.0917 REMARK 3 L TENSOR REMARK 3 L11: 4.3467 L22: 9.9335 REMARK 3 L33: 0.3455 L12: -4.2261 REMARK 3 L13: -1.0677 L23: 0.6944 REMARK 3 S TENSOR REMARK 3 S11: 0.6228 S12: -0.2748 S13: -0.0899 REMARK 3 S21: -1.0332 S22: -0.7920 S23: 0.8947 REMARK 3 S31: -2.0362 S32: 0.2879 S33: 0.4059 REMARK 3 TLS GROUP : 79 REMARK 3 SELECTION: CHAIN 'N' AND (RESID 19 THROUGH 122 ) REMARK 3 ORIGIN FOR THE GROUP (A): 16.0232 77.0025 40.8053 REMARK 3 T TENSOR REMARK 3 T11: 0.9311 T22: 0.4035 REMARK 3 T33: 0.4581 T12: 0.1316 REMARK 3 T13: -0.1152 T23: 0.0194 REMARK 3 L TENSOR REMARK 3 L11: 2.9438 L22: 1.2039 REMARK 3 L33: 5.4311 L12: -0.3386 REMARK 3 L13: -1.1717 L23: 1.3093 REMARK 3 S TENSOR REMARK 3 S11: -0.0528 S12: 0.3623 S13: 0.2381 REMARK 3 S21: 0.1620 S22: -0.1360 S23: -0.1921 REMARK 3 S31: -0.8105 S32: -0.0598 S33: 0.2183 REMARK 3 TLS GROUP : 80 REMARK 3 SELECTION: CHAIN 'N' AND (RESID 123 THROUGH 133 ) REMARK 3 ORIGIN FOR THE GROUP (A): 5.4318 83.7367 60.9789 REMARK 3 T TENSOR REMARK 3 T11: 1.6546 T22: 0.7846 REMARK 3 T33: 0.5883 T12: 0.4292 REMARK 3 T13: -0.0923 T23: -0.1421 REMARK 3 L TENSOR REMARK 3 L11: 0.0291 L22: 0.7502 REMARK 3 L33: 0.0667 L12: 0.2185 REMARK 3 L13: 0.0553 L23: 0.2234 REMARK 3 S TENSOR REMARK 3 S11: 0.0347 S12: -0.1369 S13: -0.1352 REMARK 3 S21: 1.2987 S22: -0.2944 S23: -0.4145 REMARK 3 S31: -0.7890 S32: -1.6372 S33: 0.3060 REMARK 3 TLS GROUP : 81 REMARK 3 SELECTION: CHAIN 'N' AND (RESID 134 THROUGH 148 ) REMARK 3 ORIGIN FOR THE GROUP (A): -7.2687 62.9341 76.9104 REMARK 3 T TENSOR REMARK 3 T11: 0.8922 T22: 1.4512 REMARK 3 T33: 0.5063 T12: -0.1847 REMARK 3 T13: 0.0032 T23: -0.1838 REMARK 3 L TENSOR REMARK 3 L11: 3.4523 L22: 2.1932 REMARK 3 L33: 8.4345 L12: -1.9562 REMARK 3 L13: 0.0408 L23: -2.9135 REMARK 3 S TENSOR REMARK 3 S11: -0.0322 S12: -0.3393 S13: -0.3206 REMARK 3 S21: -0.7292 S22: 0.2743 S23: 0.6770 REMARK 3 S31: -0.1974 S32: -1.8351 S33: -0.1331 REMARK 3 TLS GROUP : 82 REMARK 3 SELECTION: CHAIN 'N' AND (RESID 149 THROUGH 170 ) REMARK 3 ORIGIN FOR THE GROUP (A): 2.9403 71.0242 71.9227 REMARK 3 T TENSOR REMARK 3 T11: 0.8637 T22: 0.6276 REMARK 3 T33: 0.5326 T12: 0.0355 REMARK 3 T13: -0.0092 T23: -0.1765 REMARK 3 L TENSOR REMARK 3 L11: 2.6975 L22: 4.2661 REMARK 3 L33: 6.6273 L12: 0.2498 REMARK 3 L13: -0.6855 L23: -5.3329 REMARK 3 S TENSOR REMARK 3 S11: -0.5372 S12: 0.2069 S13: -0.1124 REMARK 3 S21: -0.8941 S22: 0.1586 S23: -0.6528 REMARK 3 S31: 0.5476 S32: -1.3586 S33: 0.2906 REMARK 3 TLS GROUP : 83 REMARK 3 SELECTION: CHAIN 'N' AND (RESID 171 THROUGH 194 ) REMARK 3 ORIGIN FOR THE GROUP (A): 3.1612 70.9556 67.8029 REMARK 3 T TENSOR REMARK 3 T11: 0.8633 T22: 0.9368 REMARK 3 T33: 0.5599 T12: 0.1054 REMARK 3 T13: -0.1225 T23: -0.2668 REMARK 3 L TENSOR REMARK 3 L11: 2.6532 L22: 5.6095 REMARK 3 L33: 9.2824 L12: -0.7681 REMARK 3 L13: 0.2074 L23: -3.2362 REMARK 3 S TENSOR REMARK 3 S11: 0.0435 S12: 0.6716 S13: -0.0573 REMARK 3 S21: -0.9855 S22: -0.1214 S23: 0.1995 REMARK 3 S31: 0.0302 S32: -1.1316 S33: -0.0541 REMARK 3 TLS GROUP : 84 REMARK 3 SELECTION: CHAIN 'N' AND (RESID 195 THROUGH 232 ) REMARK 3 ORIGIN FOR THE GROUP (A): 2.0026 66.6949 79.9120 REMARK 3 T TENSOR REMARK 3 T11: 0.6627 T22: 0.5929 REMARK 3 T33: 0.4651 T12: 0.0327 REMARK 3 T13: 0.0344 T23: -0.1727 REMARK 3 L TENSOR REMARK 3 L11: 5.5297 L22: 2.2660 REMARK 3 L33: 9.9913 L12: 1.8687 REMARK 3 L13: -2.7891 L23: -4.4005 REMARK 3 S TENSOR REMARK 3 S11: -0.1384 S12: 0.0283 S13: -0.4765 REMARK 3 S21: -0.0778 S22: -0.3474 S23: -0.2943 REMARK 3 S31: 0.2785 S32: -0.9125 S33: 0.4836 REMARK 3 TLS GROUP : 85 REMARK 3 SELECTION: CHAIN 'O' AND (RESID 32 THROUGH 42 ) REMARK 3 ORIGIN FOR THE GROUP (A): 33.7386 79.7856 15.8068 REMARK 3 T TENSOR REMARK 3 T11: 1.2067 T22: 1.0752 REMARK 3 T33: 0.9650 T12: -0.3850 REMARK 3 T13: 0.0593 T23: 0.1208 REMARK 3 L TENSOR REMARK 3 L11: 5.1285 L22: 9.4729 REMARK 3 L33: 5.0864 L12: 4.9117 REMARK 3 L13: 5.1059 L23: 4.6731 REMARK 3 S TENSOR REMARK 3 S11: -0.2031 S12: 1.6698 S13: 0.7346 REMARK 3 S21: -1.0085 S22: -0.2412 S23: -1.2715 REMARK 3 S31: -2.1983 S32: 2.3003 S33: 0.6104 REMARK 3 TLS GROUP : 86 REMARK 3 SELECTION: CHAIN 'O' AND (RESID 43 THROUGH 85 ) REMARK 3 ORIGIN FOR THE GROUP (A): 28.5763 62.4417 8.4531 REMARK 3 T TENSOR REMARK 3 T11: 0.8207 T22: 1.0192 REMARK 3 T33: 0.7277 T12: 0.1167 REMARK 3 T13: 0.1384 T23: -0.1364 REMARK 3 L TENSOR REMARK 3 L11: 7.4078 L22: 1.9709 REMARK 3 L33: 7.4354 L12: -0.7578 REMARK 3 L13: -1.7358 L23: -0.5951 REMARK 3 S TENSOR REMARK 3 S11: 0.4314 S12: 0.8570 S13: -0.2977 REMARK 3 S21: 0.1673 S22: -0.9745 S23: 0.0431 REMARK 3 S31: 0.6209 S32: 0.6983 S33: 0.5824 REMARK 3 TLS GROUP : 87 REMARK 3 SELECTION: CHAIN 'O' AND (RESID 86 THROUGH 101 ) REMARK 3 ORIGIN FOR THE GROUP (A): 34.8277 69.1098 18.7075 REMARK 3 T TENSOR REMARK 3 T11: 1.0625 T22: 1.3676 REMARK 3 T33: 0.6790 T12: 0.1036 REMARK 3 T13: -0.0693 T23: 0.1627 REMARK 3 L TENSOR REMARK 3 L11: 8.9153 L22: 5.3378 REMARK 3 L33: 3.6522 L12: -1.8064 REMARK 3 L13: -0.2675 L23: -0.0671 REMARK 3 S TENSOR REMARK 3 S11: 0.1767 S12: -0.4245 S13: -0.1266 REMARK 3 S21: -0.0074 S22: -0.5723 S23: -0.8727 REMARK 3 S31: 0.2042 S32: 2.2623 S33: 0.3866 REMARK 3 TLS GROUP : 88 REMARK 3 SELECTION: CHAIN 'O' AND (RESID 102 THROUGH 119 ) REMARK 3 ORIGIN FOR THE GROUP (A): 23.8599 74.1116 13.1258 REMARK 3 T TENSOR REMARK 3 T11: 0.7578 T22: 0.7482 REMARK 3 T33: 0.5582 T12: -0.1128 REMARK 3 T13: -0.1139 T23: 0.0479 REMARK 3 L TENSOR REMARK 3 L11: 8.5054 L22: 5.0051 REMARK 3 L33: 9.0001 L12: -1.7222 REMARK 3 L13: -0.2496 L23: 1.1059 REMARK 3 S TENSOR REMARK 3 S11: -0.2771 S12: 0.7431 S13: 0.5036 REMARK 3 S21: -0.5388 S22: 0.0108 S23: 0.1640 REMARK 3 S31: 0.1313 S32: 0.8213 S33: 0.4560 REMARK 3 TLS GROUP : 89 REMARK 3 SELECTION: CHAIN 'O' AND (RESID 120 THROUGH 140 ) REMARK 3 ORIGIN FOR THE GROUP (A): 20.0091 63.4393 13.5293 REMARK 3 T TENSOR REMARK 3 T11: 0.7121 T22: 0.9407 REMARK 3 T33: 0.6089 T12: -0.1391 REMARK 3 T13: 0.1274 T23: -0.1484 REMARK 3 L TENSOR REMARK 3 L11: 4.9586 L22: 4.4700 REMARK 3 L33: 3.5645 L12: -1.3311 REMARK 3 L13: -3.3280 L23: 3.2728 REMARK 3 S TENSOR REMARK 3 S11: -0.2676 S12: 0.7038 S13: -0.6316 REMARK 3 S21: 0.3705 S22: -0.5793 S23: 0.6060 REMARK 3 S31: 1.3159 S32: -1.1178 S33: 0.8241 REMARK 3 TLS GROUP : 90 REMARK 3 SELECTION: CHAIN 'O' AND (RESID 141 THROUGH 152 ) REMARK 3 ORIGIN FOR THE GROUP (A): 20.6770 71.8878 22.2013 REMARK 3 T TENSOR REMARK 3 T11: 0.6849 T22: 0.9489 REMARK 3 T33: 0.3694 T12: -0.0510 REMARK 3 T13: 0.0237 T23: -0.0606 REMARK 3 L TENSOR REMARK 3 L11: 8.6145 L22: 5.6162 REMARK 3 L33: 8.3250 L12: -0.7307 REMARK 3 L13: -7.4281 L23: 3.9049 REMARK 3 S TENSOR REMARK 3 S11: -0.4119 S12: 0.2491 S13: 0.0111 REMARK 3 S21: -1.0046 S22: 0.6025 S23: 0.4245 REMARK 3 S31: -0.5698 S32: -0.7706 S33: -0.3185 REMARK 3 TLS GROUP : 91 REMARK 3 SELECTION: CHAIN 'P' AND (RESID 1 THROUGH 124 ) REMARK 3 ORIGIN FOR THE GROUP (A): 23.5850 -9.8984 8.4129 REMARK 3 T TENSOR REMARK 3 T11: 0.4590 T22: 0.6629 REMARK 3 T33: 0.5300 T12: 0.0948 REMARK 3 T13: -0.0065 T23: 0.1704 REMARK 3 L TENSOR REMARK 3 L11: 4.8055 L22: 4.6554 REMARK 3 L33: 8.4261 L12: -0.0468 REMARK 3 L13: 1.6349 L23: -1.2306 REMARK 3 S TENSOR REMARK 3 S11: 0.0138 S12: -0.5625 S13: -0.3706 REMARK 3 S21: 0.0030 S22: 0.2918 S23: 0.5399 REMARK 3 S31: -0.1640 S32: -0.4355 S33: -0.3030 REMARK 3 TLS GROUP : 92 REMARK 3 SELECTION: CHAIN 'P' AND (RESID 125 THROUGH 160 ) REMARK 3 ORIGIN FOR THE GROUP (A): 17.9157 -14.4996 -24.9801 REMARK 3 T TENSOR REMARK 3 T11: 1.3412 T22: 0.7696 REMARK 3 T33: 0.9372 T12: 0.0922 REMARK 3 T13: -0.3940 T23: 0.0577 REMARK 3 L TENSOR REMARK 3 L11: 2.3884 L22: 0.7653 REMARK 3 L33: 5.7166 L12: 0.6879 REMARK 3 L13: 1.5707 L23: -1.1381 REMARK 3 S TENSOR REMARK 3 S11: 0.6416 S12: 0.2806 S13: -1.0394 REMARK 3 S21: -1.8007 S22: -0.3857 S23: 0.8719 REMARK 3 S31: 0.3306 S32: -0.6787 S33: -0.5435 REMARK 3 TLS GROUP : 93 REMARK 3 SELECTION: CHAIN 'P' AND (RESID 161 THROUGH 229 ) REMARK 3 ORIGIN FOR THE GROUP (A): 16.2377 -21.4661 -24.1669 REMARK 3 T TENSOR REMARK 3 T11: 1.6238 T22: 0.8894 REMARK 3 T33: 1.4842 T12: 0.0032 REMARK 3 T13: -0.5771 T23: 0.0715 REMARK 3 L TENSOR REMARK 3 L11: 4.6475 L22: 1.8318 REMARK 3 L33: 5.7582 L12: 0.8722 REMARK 3 L13: 1.2550 L23: 3.0178 REMARK 3 S TENSOR REMARK 3 S11: 0.6878 S12: 0.1657 S13: -1.2527 REMARK 3 S21: -1.2594 S22: 0.1316 S23: 1.3396 REMARK 3 S31: 1.4652 S32: -1.0517 S33: -0.6299 REMARK 3 TLS GROUP : 94 REMARK 3 SELECTION: CHAIN 'Q' AND (RESID 1 THROUGH 18 ) REMARK 3 ORIGIN FOR THE GROUP (A): 43.3874 -24.5189 -3.6553 REMARK 3 T TENSOR REMARK 3 T11: 0.8681 T22: 0.8594 REMARK 3 T33: 0.7678 T12: 0.2503 REMARK 3 T13: -0.3186 T23: -0.1683 REMARK 3 L TENSOR REMARK 3 L11: 2.9646 L22: 9.4187 REMARK 3 L33: 5.2517 L12: 3.1412 REMARK 3 L13: 1.4108 L23: 1.0797 REMARK 3 S TENSOR REMARK 3 S11: 0.3137 S12: 0.1448 S13: -0.2335 REMARK 3 S21: -2.0955 S22: -1.2561 S23: 1.0913 REMARK 3 S31: -0.1612 S32: 0.1371 S33: 0.9346 REMARK 3 TLS GROUP : 95 REMARK 3 SELECTION: CHAIN 'Q' AND (RESID 19 THROUGH 133 ) REMARK 3 ORIGIN FOR THE GROUP (A): 39.5841 -24.0352 4.0158 REMARK 3 T TENSOR REMARK 3 T11: 0.7249 T22: 0.5531 REMARK 3 T33: 0.5817 T12: 0.1924 REMARK 3 T13: -0.1073 T23: 0.0023 REMARK 3 L TENSOR REMARK 3 L11: 5.3869 L22: 3.6829 REMARK 3 L33: 6.3753 L12: -1.4204 REMARK 3 L13: 0.6155 L23: -0.9144 REMARK 3 S TENSOR REMARK 3 S11: 0.4439 S12: 0.0726 S13: -1.1153 REMARK 3 S21: -0.3935 S22: 0.0687 S23: 0.1868 REMARK 3 S31: 0.9059 S32: 0.4979 S33: -0.4571 REMARK 3 TLS GROUP : 96 REMARK 3 SELECTION: CHAIN 'Q' AND (RESID 134 THROUGH 233 ) REMARK 3 ORIGIN FOR THE GROUP (A): 32.2157 -17.6104 -29.8952 REMARK 3 T TENSOR REMARK 3 T11: 2.2223 T22: 1.2264 REMARK 3 T33: 1.0113 T12: 0.5350 REMARK 3 T13: -0.3659 T23: -0.0168 REMARK 3 L TENSOR REMARK 3 L11: 1.1963 L22: 0.2212 REMARK 3 L33: 1.3943 L12: 0.3790 REMARK 3 L13: 0.0907 L23: -0.4544 REMARK 3 S TENSOR REMARK 3 S11: 0.9002 S12: 0.6851 S13: -0.1764 REMARK 3 S21: -1.9869 S22: -0.7244 S23: 0.4584 REMARK 3 S31: 1.3995 S32: 0.9419 S33: -0.2484 REMARK 3 TLS GROUP : 97 REMARK 3 SELECTION: CHAIN 'R' AND (RESID 1 THROUGH 49 ) REMARK 3 ORIGIN FOR THE GROUP (A): 19.6564 -20.6922 54.3683 REMARK 3 T TENSOR REMARK 3 T11: 0.8000 T22: 0.4206 REMARK 3 T33: 0.4976 T12: -0.0458 REMARK 3 T13: 0.1449 T23: -0.0369 REMARK 3 L TENSOR REMARK 3 L11: 4.7254 L22: 1.5506 REMARK 3 L33: 8.0299 L12: 0.6386 REMARK 3 L13: -1.7256 L23: -3.4533 REMARK 3 S TENSOR REMARK 3 S11: -0.0887 S12: 0.6552 S13: 0.0045 REMARK 3 S21: 0.2320 S22: 0.1462 S23: 0.1249 REMARK 3 S31: 0.1996 S32: -1.1410 S33: 0.0399 REMARK 3 TLS GROUP : 98 REMARK 3 SELECTION: CHAIN 'R' AND (RESID 50 THROUGH 67 ) REMARK 3 ORIGIN FOR THE GROUP (A): 30.6183 -23.6864 52.7629 REMARK 3 T TENSOR REMARK 3 T11: 0.9160 T22: 0.3727 REMARK 3 T33: 0.4734 T12: -0.0743 REMARK 3 T13: 0.1295 T23: 0.1367 REMARK 3 L TENSOR REMARK 3 L11: 6.0439 L22: 0.7965 REMARK 3 L33: 7.1744 L12: -0.0943 REMARK 3 L13: 0.8937 L23: -2.3643 REMARK 3 S TENSOR REMARK 3 S11: -0.2713 S12: 0.8669 S13: -0.4742 REMARK 3 S21: 0.4289 S22: -0.4316 S23: 0.0405 REMARK 3 S31: 1.0406 S32: 1.0958 S33: 0.5365 REMARK 3 TLS GROUP : 99 REMARK 3 SELECTION: CHAIN 'R' AND (RESID 68 THROUGH 91 ) REMARK 3 ORIGIN FOR THE GROUP (A): 23.7356 -27.4372 52.8539 REMARK 3 T TENSOR REMARK 3 T11: 0.8532 T22: 0.5133 REMARK 3 T33: 0.4687 T12: -0.0710 REMARK 3 T13: 0.1728 T23: -0.0604 REMARK 3 L TENSOR REMARK 3 L11: 7.9221 L22: 4.8441 REMARK 3 L33: 3.6819 L12: -1.9471 REMARK 3 L13: 5.3789 L23: -1.7713 REMARK 3 S TENSOR REMARK 3 S11: 0.1541 S12: 0.2585 S13: -0.8606 REMARK 3 S21: 0.0419 S22: 0.1141 S23: 0.0882 REMARK 3 S31: 1.5020 S32: -0.0139 S33: -0.2579 REMARK 3 TLS GROUP : 100 REMARK 3 SELECTION: CHAIN 'R' AND (RESID 92 THROUGH 126 ) REMARK 3 ORIGIN FOR THE GROUP (A): 23.7139 -18.6401 57.0462 REMARK 3 T TENSOR REMARK 3 T11: 0.5918 T22: 0.3666 REMARK 3 T33: 0.3914 T12: 0.0218 REMARK 3 T13: 0.0242 T23: 0.0236 REMARK 3 L TENSOR REMARK 3 L11: 5.8483 L22: 3.3065 REMARK 3 L33: 4.8297 L12: 1.3849 REMARK 3 L13: -3.2054 L23: 1.0343 REMARK 3 S TENSOR REMARK 3 S11: -0.1477 S12: 0.3074 S13: 0.3590 REMARK 3 S21: -0.0397 S22: -0.0599 S23: -0.1213 REMARK 3 S31: 0.5360 S32: -0.2735 S33: 0.2000 REMARK 3 TLS GROUP : 101 REMARK 3 SELECTION: CHAIN 'R' AND (RESID 127 THROUGH 200 ) REMARK 3 ORIGIN FOR THE GROUP (A): 6.7273 -12.9486 83.4933 REMARK 3 T TENSOR REMARK 3 T11: 0.6502 T22: 0.9177 REMARK 3 T33: 0.4929 T12: 0.1831 REMARK 3 T13: -0.0952 T23: -0.1095 REMARK 3 L TENSOR REMARK 3 L11: 3.6234 L22: 7.3604 REMARK 3 L33: 4.8604 L12: -0.6013 REMARK 3 L13: -0.5132 L23: 1.3570 REMARK 3 S TENSOR REMARK 3 S11: 0.1342 S12: 0.0859 S13: 0.3858 REMARK 3 S21: -0.4523 S22: -0.8169 S23: 0.3325 REMARK 3 S31: -0.7259 S32: -1.8430 S33: 0.5715 REMARK 3 TLS GROUP : 102 REMARK 3 SELECTION: CHAIN 'R' AND (RESID 201 THROUGH 215 ) REMARK 3 ORIGIN FOR THE GROUP (A): -1.7485 -4.4628 88.9162 REMARK 3 T TENSOR REMARK 3 T11: 0.8414 T22: 1.4275 REMARK 3 T33: 1.0551 T12: 0.4938 REMARK 3 T13: -0.2639 T23: -0.4572 REMARK 3 L TENSOR REMARK 3 L11: 1.7910 L22: 0.9696 REMARK 3 L33: 3.2781 L12: 1.1577 REMARK 3 L13: -0.9769 L23: -1.3951 REMARK 3 S TENSOR REMARK 3 S11: 0.1318 S12: 0.6532 S13: 1.1913 REMARK 3 S21: 0.2167 S22: 0.1638 S23: -0.7156 REMARK 3 S31: -0.4945 S32: -1.5159 S33: -0.1574 REMARK 3 TLS GROUP : 103 REMARK 3 SELECTION: CHAIN 'R' AND (RESID 216 THROUGH 229 ) REMARK 3 ORIGIN FOR THE GROUP (A): -2.4566 -14.2431 84.9061 REMARK 3 T TENSOR REMARK 3 T11: 0.6440 T22: 1.5286 REMARK 3 T33: 1.0355 T12: 0.3616 REMARK 3 T13: -0.0465 T23: -0.5266 REMARK 3 L TENSOR REMARK 3 L11: 2.7783 L22: 5.3774 REMARK 3 L33: 1.3854 L12: 2.2361 REMARK 3 L13: 1.4737 L23: -0.0291 REMARK 3 S TENSOR REMARK 3 S11: -0.6573 S12: 0.0008 S13: 0.3184 REMARK 3 S21: -0.7671 S22: -0.0445 S23: 1.6596 REMARK 3 S31: -1.0881 S32: 0.3170 S33: 0.8246 REMARK 3 TLS GROUP : 104 REMARK 3 SELECTION: CHAIN 'V' AND (RESID 1 THROUGH 91 ) REMARK 3 ORIGIN FOR THE GROUP (A): 34.9481 -3.6811 61.7048 REMARK 3 T TENSOR REMARK 3 T11: 0.8926 T22: 0.3927 REMARK 3 T33: 0.5973 T12: -0.0103 REMARK 3 T13: -0.0289 T23: 0.1406 REMARK 3 L TENSOR REMARK 3 L11: 2.0221 L22: 0.2874 REMARK 3 L33: 4.7553 L12: -0.2410 REMARK 3 L13: 0.4880 L23: 0.1374 REMARK 3 S TENSOR REMARK 3 S11: -0.1439 S12: -0.0451 S13: 0.2446 REMARK 3 S21: 0.2102 S22: -0.2513 S23: -0.1187 REMARK 3 S31: -0.8062 S32: 0.4868 S33: 0.2510 REMARK 3 TLS GROUP : 105 REMARK 3 SELECTION: CHAIN 'V' AND (RESID 92 THROUGH 122 ) REMARK 3 ORIGIN FOR THE GROUP (A): 31.6741 -6.3365 62.7971 REMARK 3 T TENSOR REMARK 3 T11: 0.8543 T22: 0.3321 REMARK 3 T33: 0.5325 T12: 0.0460 REMARK 3 T13: -0.0040 T23: 0.1544 REMARK 3 L TENSOR REMARK 3 L11: 1.7962 L22: 0.6142 REMARK 3 L33: 4.1521 L12: -0.6635 REMARK 3 L13: 0.5288 L23: 0.1581 REMARK 3 S TENSOR REMARK 3 S11: 0.1740 S12: 0.2272 S13: 0.2067 REMARK 3 S21: 0.0187 S22: -0.2556 S23: -0.0672 REMARK 3 S31: -0.7104 S32: -0.2424 S33: 0.2375 REMARK 3 TLS GROUP : 106 REMARK 3 SELECTION: CHAIN 'V' AND (RESID 123 THROUGH 133 ) REMARK 3 ORIGIN FOR THE GROUP (A): 24.6840 3.3626 80.9019 REMARK 3 T TENSOR REMARK 3 T11: 2.1128 T22: -0.7975 REMARK 3 T33: 0.5690 T12: 0.1936 REMARK 3 T13: -0.0890 T23: 0.1926 REMARK 3 L TENSOR REMARK 3 L11: 0.0504 L22: -0.0088 REMARK 3 L33: 0.9529 L12: 0.0571 REMARK 3 L13: -0.2621 L23: -0.1338 REMARK 3 S TENSOR REMARK 3 S11: 0.3479 S12: -0.0378 S13: 0.1300 REMARK 3 S21: 0.6304 S22: -0.3304 S23: -0.2165 REMARK 3 S31: -1.1441 S32: -0.0994 S33: -0.1556 REMARK 3 TLS GROUP : 107 REMARK 3 SELECTION: CHAIN 'V' AND (RESID 134 THROUGH 148 ) REMARK 3 ORIGIN FOR THE GROUP (A): 8.0480 -14.9779 96.0851 REMARK 3 T TENSOR REMARK 3 T11: 0.6775 T22: 1.0939 REMARK 3 T33: 0.4670 T12: 0.0127 REMARK 3 T13: 0.0144 T23: -0.2014 REMARK 3 L TENSOR REMARK 3 L11: 3.2565 L22: 0.8737 REMARK 3 L33: 7.8877 L12: -1.5304 REMARK 3 L13: 0.8621 L23: -1.4516 REMARK 3 S TENSOR REMARK 3 S11: 0.5766 S12: -0.6241 S13: -0.1046 REMARK 3 S21: 0.9450 S22: -0.5835 S23: -0.0432 REMARK 3 S31: -0.3939 S32: -1.4015 S33: 0.1536 REMARK 3 TLS GROUP : 108 REMARK 3 SELECTION: CHAIN 'V' AND (RESID 149 THROUGH 170 ) REMARK 3 ORIGIN FOR THE GROUP (A): 19.6688 -8.8324 91.2968 REMARK 3 T TENSOR REMARK 3 T11: 0.9033 T22: 0.4427 REMARK 3 T33: 0.4433 T12: -0.0351 REMARK 3 T13: -0.0038 T23: -0.0660 REMARK 3 L TENSOR REMARK 3 L11: 4.4084 L22: 5.2338 REMARK 3 L33: 4.1024 L12: 1.5449 REMARK 3 L13: -1.6952 L23: -4.6115 REMARK 3 S TENSOR REMARK 3 S11: -0.6640 S12: 0.0318 S13: 0.0840 REMARK 3 S21: -0.1004 S22: 0.1993 S23: -0.7757 REMARK 3 S31: -0.8215 S32: -0.5915 S33: 0.4290 REMARK 3 TLS GROUP : 109 REMARK 3 SELECTION: CHAIN 'V' AND (RESID 171 THROUGH 183 ) REMARK 3 ORIGIN FOR THE GROUP (A): 21.9383 -17.6394 93.9117 REMARK 3 T TENSOR REMARK 3 T11: 0.6908 T22: 0.6453 REMARK 3 T33: 0.7175 T12: 0.0139 REMARK 3 T13: -0.1389 T23: -0.0247 REMARK 3 L TENSOR REMARK 3 L11: 2.5312 L22: 3.5458 REMARK 3 L33: 7.9038 L12: 1.1117 REMARK 3 L13: 1.2306 L23: -0.4319 REMARK 3 S TENSOR REMARK 3 S11: 0.4272 S12: 0.0537 S13: -0.0191 REMARK 3 S21: -0.0372 S22: -0.1219 S23: -0.3987 REMARK 3 S31: 0.9817 S32: -0.0325 S33: 0.2562 REMARK 3 TLS GROUP : 110 REMARK 3 SELECTION: CHAIN 'V' AND (RESID 184 THROUGH 194 ) REMARK 3 ORIGIN FOR THE GROUP (A): 17.7416 0.8665 79.5609 REMARK 3 T TENSOR REMARK 3 T11: 1.3964 T22: 0.5242 REMARK 3 T33: 0.8028 T12: 0.1690 REMARK 3 T13: -0.1970 T23: 0.0364 REMARK 3 L TENSOR REMARK 3 L11: 1.4512 L22: 7.4983 REMARK 3 L33: 4.7725 L12: 1.6686 REMARK 3 L13: 0.7477 L23: -4.0993 REMARK 3 S TENSOR REMARK 3 S11: 0.2930 S12: 0.2849 S13: 0.9735 REMARK 3 S21: -0.8926 S22: -0.4529 S23: 0.5442 REMARK 3 S31: -1.9996 S32: -1.2637 S33: 0.3652 REMARK 3 TLS GROUP : 111 REMARK 3 SELECTION: CHAIN 'V' AND (RESID 195 THROUGH 233 ) REMARK 3 ORIGIN FOR THE GROUP (A): 17.5900 -13.5007 99.2684 REMARK 3 T TENSOR REMARK 3 T11: 0.7074 T22: 0.4829 REMARK 3 T33: 0.5042 T12: 0.0079 REMARK 3 T13: 0.0027 T23: -0.0208 REMARK 3 L TENSOR REMARK 3 L11: 3.2277 L22: 6.0678 REMARK 3 L33: 8.2812 L12: 1.3519 REMARK 3 L13: 0.7247 L23: -0.6209 REMARK 3 S TENSOR REMARK 3 S11: 0.2159 S12: -0.3167 S13: -0.2251 REMARK 3 S21: 0.7192 S22: -0.5201 S23: -0.4527 REMARK 3 S31: -0.3380 S32: -0.9078 S33: 0.2196 REMARK 3 TLS GROUP : 112 REMARK 3 SELECTION: CHAIN 'T' AND (RESID 29 THROUGH 101 ) REMARK 3 ORIGIN FOR THE GROUP (A): 48.8481 -14.0567 34.6426 REMARK 3 T TENSOR REMARK 3 T11: 0.7161 T22: 1.2393 REMARK 3 T33: 0.7093 T12: 0.1307 REMARK 3 T13: 0.1306 T23: 0.2578 REMARK 3 L TENSOR REMARK 3 L11: 6.8547 L22: 6.1122 REMARK 3 L33: 3.1975 L12: -1.7396 REMARK 3 L13: 0.2959 L23: 1.3116 REMARK 3 S TENSOR REMARK 3 S11: 0.3411 S12: 0.9048 S13: 0.3942 REMARK 3 S21: -0.1182 S22: -0.7321 S23: -0.9627 REMARK 3 S31: 0.4731 S32: 1.4999 S33: 0.4460 REMARK 3 TLS GROUP : 113 REMARK 3 SELECTION: CHAIN 'T' AND (RESID 102 THROUGH 152 ) REMARK 3 ORIGIN FOR THE GROUP (A): 38.0433 -12.8174 34.7280 REMARK 3 T TENSOR REMARK 3 T11: 0.7057 T22: 0.8028 REMARK 3 T33: 0.5869 T12: 0.0444 REMARK 3 T13: 0.0791 T23: 0.3004 REMARK 3 L TENSOR REMARK 3 L11: 1.4020 L22: 0.9717 REMARK 3 L33: 8.6139 L12: -0.1779 REMARK 3 L13: 2.0657 L23: 2.1627 REMARK 3 S TENSOR REMARK 3 S11: 0.2233 S12: 0.4868 S13: 0.1608 REMARK 3 S21: 0.0051 S22: -0.2475 S23: -0.2462 REMARK 3 S31: -0.1212 S32: 0.2569 S33: 0.0388 REMARK 3 REMARK 3 NCS DETAILS REMARK 3 NUMBER OF NCS GROUPS : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 9CMC COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 17-JUL-24. REMARK 100 THE DEPOSITION ID IS D_1000285929. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 15-JUL-22 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : NULL REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : APS REMARK 200 BEAMLINE : 22-ID REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.0 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : PIXEL REMARK 200 DETECTOR MANUFACTURER : DECTRIS EIGER X 16M REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000 REMARK 200 DATA SCALING SOFTWARE : HKL-2000 REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 97947 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.950 REMARK 200 RESOLUTION RANGE LOW (A) : 50.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.3 REMARK 200 DATA REDUNDANCY : 6.600 REMARK 200 R MERGE (I) : 0.10000 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 8.4000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.95 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 3.00 REMARK 200 COMPLETENESS FOR SHELL (%) : NULL REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : 1.09500 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 1.500 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: PHASER REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 53.48 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.64 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 0.1M BISTRISPROPANE PH 7.5, 0.2M REMARK 280 POTASSIUM SODIUM TARTRATE TETRAHYDRATE, 20% PEG3350, VAPOR REMARK 280 DIFFUSION, SITTING DROP, TEMPERATURE 277K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,Y+1/2,-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 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 82.50450 REMARK 290 SMTRY3 2 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: PENTAMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C, D, E 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: PENTAMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: F, G, H, I, J 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: PENTAMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: K, L, M, N, O 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: PENTAMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: P, Q, R, V, T 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 VAL A 2 REMARK 465 ALA A 129 REMARK 465 SER A 130 REMARK 465 THR A 131 REMARK 465 LYS A 132 REMARK 465 GLY A 133 REMARK 465 PRO A 134 REMARK 465 SER A 135 REMARK 465 VAL A 136 REMARK 465 PHE A 137 REMARK 465 PRO A 138 REMARK 465 LEU A 139 REMARK 465 ALA A 140 REMARK 465 PRO A 141 REMARK 465 SER A 142 REMARK 465 SER A 143 REMARK 465 LYS A 144 REMARK 465 SER A 145 REMARK 465 THR A 146 REMARK 465 SER A 147 REMARK 465 GLY A 148 REMARK 465 GLY A 149 REMARK 465 THR A 150 REMARK 465 ALA A 151 REMARK 465 ALA A 152 REMARK 465 LEU A 153 REMARK 465 GLY A 154 REMARK 465 CYS A 155 REMARK 465 LEU A 156 REMARK 465 VAL A 157 REMARK 465 LYS A 158 REMARK 465 ASP A 159 REMARK 465 TYR A 160 REMARK 465 PHE A 161 REMARK 465 PRO A 162 REMARK 465 GLU A 163 REMARK 465 PRO A 164 REMARK 465 VAL A 165 REMARK 465 THR A 166 REMARK 465 VAL A 167 REMARK 465 SER A 168 REMARK 465 TRP A 169 REMARK 465 ASN A 170 REMARK 465 SER A 171 REMARK 465 GLY A 172 REMARK 465 ALA A 173 REMARK 465 LEU A 174 REMARK 465 THR A 175 REMARK 465 SER A 176 REMARK 465 GLY A 177 REMARK 465 VAL A 178 REMARK 465 HIS A 179 REMARK 465 THR A 180 REMARK 465 PHE A 181 REMARK 465 PRO A 182 REMARK 465 ALA A 183 REMARK 465 VAL A 184 REMARK 465 LEU A 185 REMARK 465 GLN A 186 REMARK 465 SER A 187 REMARK 465 SER A 188 REMARK 465 GLY A 189 REMARK 465 LEU A 190 REMARK 465 TYR A 191 REMARK 465 SER A 192 REMARK 465 LEU A 193 REMARK 465 SER A 194 REMARK 465 SER A 195 REMARK 465 VAL A 196 REMARK 465 VAL A 197 REMARK 465 THR A 198 REMARK 465 VAL A 199 REMARK 465 PRO A 200 REMARK 465 SER A 201 REMARK 465 SER A 202 REMARK 465 SER A 203 REMARK 465 LEU A 204 REMARK 465 GLY A 205 REMARK 465 THR A 206 REMARK 465 GLN A 207 REMARK 465 THR A 208 REMARK 465 TYR A 209 REMARK 465 ILE A 210 REMARK 465 CYS A 211 REMARK 465 ASN A 212 REMARK 465 VAL A 213 REMARK 465 ASN A 214 REMARK 465 HIS A 215 REMARK 465 LYS A 216 REMARK 465 PRO A 217 REMARK 465 SER A 218 REMARK 465 ASN A 219 REMARK 465 THR A 220 REMARK 465 LYS A 221 REMARK 465 VAL A 222 REMARK 465 ASP A 223 REMARK 465 LYS A 224 REMARK 465 ARG A 225 REMARK 465 VAL A 226 REMARK 465 GLU A 227 REMARK 465 PRO A 228 REMARK 465 LYS A 229 REMARK 465 SER A 230 REMARK 465 CYS A 231 REMARK 465 ASP A 232 REMARK 465 LYS A 233 REMARK 465 THR A 234 REMARK 465 HIS A 235 REMARK 465 ASP B 1 REMARK 465 ARG B 128 REMARK 465 THR B 129 REMARK 465 VAL B 130 REMARK 465 ALA B 131 REMARK 465 ALA B 132 REMARK 465 PRO B 133 REMARK 465 SER B 134 REMARK 465 VAL B 135 REMARK 465 PHE B 136 REMARK 465 ILE B 137 REMARK 465 PHE B 138 REMARK 465 PRO B 139 REMARK 465 PRO B 140 REMARK 465 SER B 141 REMARK 465 ASP B 142 REMARK 465 GLU B 143 REMARK 465 GLN B 144 REMARK 465 LEU B 145 REMARK 465 LYS B 146 REMARK 465 SER B 147 REMARK 465 GLY B 148 REMARK 465 THR B 149 REMARK 465 ALA B 150 REMARK 465 SER B 151 REMARK 465 VAL B 152 REMARK 465 VAL B 153 REMARK 465 CYS B 154 REMARK 465 LEU B 155 REMARK 465 LEU B 156 REMARK 465 ASN B 157 REMARK 465 ASN B 158 REMARK 465 PHE B 159 REMARK 465 TYR B 160 REMARK 465 PRO B 161 REMARK 465 ARG B 162 REMARK 465 GLU B 163 REMARK 465 ALA B 164 REMARK 465 LYS B 165 REMARK 465 VAL B 166 REMARK 465 GLN B 167 REMARK 465 TRP B 168 REMARK 465 LYS B 169 REMARK 465 VAL B 170 REMARK 465 ASP B 171 REMARK 465 ASN B 172 REMARK 465 ALA B 173 REMARK 465 LEU B 174 REMARK 465 GLN B 175 REMARK 465 SER B 176 REMARK 465 GLY B 177 REMARK 465 ASN B 178 REMARK 465 SER B 179 REMARK 465 GLN B 180 REMARK 465 GLU B 181 REMARK 465 SER B 182 REMARK 465 VAL B 183 REMARK 465 THR B 184 REMARK 465 GLU B 185 REMARK 465 GLN B 186 REMARK 465 ASP B 187 REMARK 465 SER B 188 REMARK 465 LYS B 189 REMARK 465 ASP B 190 REMARK 465 SER B 191 REMARK 465 THR B 192 REMARK 465 TYR B 193 REMARK 465 SER B 194 REMARK 465 LEU B 195 REMARK 465 SER B 196 REMARK 465 SER B 197 REMARK 465 THR B 198 REMARK 465 LEU B 199 REMARK 465 THR B 200 REMARK 465 LEU B 201 REMARK 465 SER B 202 REMARK 465 LYS B 203 REMARK 465 ALA B 204 REMARK 465 ASP B 205 REMARK 465 TYR B 206 REMARK 465 GLU B 207 REMARK 465 LYS B 208 REMARK 465 HIS B 209 REMARK 465 LYS B 210 REMARK 465 VAL B 211 REMARK 465 TYR B 212 REMARK 465 ALA B 213 REMARK 465 CYS B 214 REMARK 465 GLU B 215 REMARK 465 VAL B 216 REMARK 465 THR B 217 REMARK 465 HIS B 218 REMARK 465 GLN B 219 REMARK 465 GLY B 220 REMARK 465 LEU B 221 REMARK 465 SER B 222 REMARK 465 SER B 223 REMARK 465 PRO B 224 REMARK 465 VAL B 225 REMARK 465 THR B 226 REMARK 465 LYS B 227 REMARK 465 SER B 228 REMARK 465 PHE B 229 REMARK 465 ASN B 230 REMARK 465 ARG B 231 REMARK 465 GLY B 232 REMARK 465 GLU B 233 REMARK 465 CYS B 234 REMARK 465 SER C 143 REMARK 465 LYS C 144 REMARK 465 SER C 145 REMARK 465 THR C 146 REMARK 465 SER C 147 REMARK 465 GLY C 148 REMARK 465 CYS C 231 REMARK 465 ASP C 232 REMARK 465 LYS C 233 REMARK 465 THR C 234 REMARK 465 HIS C 235 REMARK 465 GLY E 21 REMARK 465 SER E 22 REMARK 465 ALA E 23 REMARK 465 ALA E 24 REMARK 465 ALA E 25 REMARK 465 GLU E 26 REMARK 465 LEU E 27 REMARK 465 GLN E 28 REMARK 465 GLY E 29 REMARK 465 ASP E 30 REMARK 465 ARG E 31 REMARK 465 ARG E 32 REMARK 465 CYS E 33 REMARK 465 GLN E 34 REMARK 465 SER E 35 REMARK 465 ASP E 56 REMARK 465 GLU E 57 REMARK 465 ASP E 58 REMARK 465 SER E 59 REMARK 465 TYR E 60 REMARK 465 GLU E 61 REMARK 465 ARG E 62 REMARK 465 ASP E 63 REMARK 465 PRO E 64 REMARK 465 TYR E 65 REMARK 465 SER E 66 REMARK 465 PRO E 67 REMARK 465 SER E 68 REMARK 465 GLN E 69 REMARK 465 ASP E 70 REMARK 465 PRO E 71 REMARK 465 TYR E 72 REMARK 465 SER E 73 REMARK 465 PRO E 74 REMARK 465 SER E 75 REMARK 465 PRO E 76 REMARK 465 TYR E 77 REMARK 465 ASP E 78 REMARK 465 ARG E 79 REMARK 465 ARG E 80 REMARK 465 GLY E 81 REMARK 465 ALA E 82 REMARK 465 GLY E 83 REMARK 465 SER E 84 REMARK 465 VAL E 152 REMARK 465 GLU E 153 REMARK 465 SER E 154 REMARK 465 GLY E 155 REMARK 465 GLY E 156 REMARK 465 ARG E 157 REMARK 465 ASP E 158 REMARK 465 ARG E 159 REMARK 465 TYR E 160 REMARK 465 PRO F 138 REMARK 465 LEU F 139 REMARK 465 ALA F 140 REMARK 465 PRO F 141 REMARK 465 SER F 142 REMARK 465 SER F 143 REMARK 465 LYS F 144 REMARK 465 SER F 145 REMARK 465 THR F 146 REMARK 465 SER F 147 REMARK 465 GLY F 148 REMARK 465 LYS F 229 REMARK 465 SER F 230 REMARK 465 CYS F 231 REMARK 465 ASP F 232 REMARK 465 LYS F 233 REMARK 465 THR F 234 REMARK 465 HIS F 235 REMARK 465 VAL G 130 REMARK 465 ALA G 131 REMARK 465 ALA G 132 REMARK 465 PRO G 133 REMARK 465 SER G 134 REMARK 465 VAL G 135 REMARK 465 PHE G 136 REMARK 465 ILE G 137 REMARK 465 PHE G 138 REMARK 465 PRO G 139 REMARK 465 PRO G 140 REMARK 465 SER G 141 REMARK 465 ASP G 142 REMARK 465 GLU G 143 REMARK 465 GLN G 144 REMARK 465 LEU G 145 REMARK 465 LYS G 146 REMARK 465 SER G 147 REMARK 465 GLY G 148 REMARK 465 THR G 149 REMARK 465 ALA G 150 REMARK 465 SER G 151 REMARK 465 VAL G 152 REMARK 465 VAL G 153 REMARK 465 CYS G 154 REMARK 465 LEU G 155 REMARK 465 LEU G 156 REMARK 465 ALA G 164 REMARK 465 LYS G 165 REMARK 465 VAL G 166 REMARK 465 GLN G 167 REMARK 465 TRP G 168 REMARK 465 LYS G 169 REMARK 465 VAL G 170 REMARK 465 ASP G 171 REMARK 465 ASN G 172 REMARK 465 ALA G 173 REMARK 465 LEU G 174 REMARK 465 GLN G 175 REMARK 465 SER G 176 REMARK 465 GLY G 177 REMARK 465 ASN G 178 REMARK 465 THR G 198 REMARK 465 LEU G 199 REMARK 465 THR G 200 REMARK 465 LEU G 201 REMARK 465 SER G 202 REMARK 465 LYS G 203 REMARK 465 ALA G 204 REMARK 465 ASP G 205 REMARK 465 TYR G 206 REMARK 465 GLU G 207 REMARK 465 LYS G 208 REMARK 465 HIS G 209 REMARK 465 LYS G 210 REMARK 465 VAL G 211 REMARK 465 TYR G 212 REMARK 465 ALA G 213 REMARK 465 CYS G 214 REMARK 465 GLU G 215 REMARK 465 VAL G 216 REMARK 465 THR G 217 REMARK 465 HIS G 218 REMARK 465 GLN G 219 REMARK 465 GLY G 220 REMARK 465 LEU G 221 REMARK 465 SER G 222 REMARK 465 SER G 223 REMARK 465 PRO G 224 REMARK 465 VAL G 225 REMARK 465 THR G 226 REMARK 465 LYS G 227 REMARK 465 SER G 228 REMARK 465 PHE G 229 REMARK 465 ASN G 230 REMARK 465 ARG G 231 REMARK 465 GLY G 232 REMARK 465 GLU G 233 REMARK 465 CYS G 234 REMARK 465 SER H 143 REMARK 465 LYS H 144 REMARK 465 SER H 145 REMARK 465 THR H 146 REMARK 465 SER H 147 REMARK 465 GLY H 148 REMARK 465 GLY H 149 REMARK 465 SER H 230 REMARK 465 CYS H 231 REMARK 465 ASP H 232 REMARK 465 LYS H 233 REMARK 465 THR H 234 REMARK 465 HIS H 235 REMARK 465 CYS I 234 REMARK 465 GLY J 21 REMARK 465 SER J 22 REMARK 465 ALA J 23 REMARK 465 ALA J 24 REMARK 465 ALA J 25 REMARK 465 GLU J 26 REMARK 465 LEU J 27 REMARK 465 GLN J 28 REMARK 465 ARG J 55 REMARK 465 ASP J 56 REMARK 465 GLU J 57 REMARK 465 ASP J 58 REMARK 465 SER J 59 REMARK 465 TYR J 60 REMARK 465 GLU J 61 REMARK 465 ARG J 62 REMARK 465 ASP J 63 REMARK 465 PRO J 64 REMARK 465 TYR J 65 REMARK 465 SER J 66 REMARK 465 PRO J 67 REMARK 465 SER J 68 REMARK 465 GLN J 69 REMARK 465 ASP J 70 REMARK 465 PRO J 71 REMARK 465 TYR J 72 REMARK 465 SER J 73 REMARK 465 PRO J 74 REMARK 465 SER J 75 REMARK 465 PRO J 76 REMARK 465 TYR J 77 REMARK 465 ASP J 78 REMARK 465 ARG J 79 REMARK 465 ARG J 80 REMARK 465 GLY J 81 REMARK 465 ALA J 82 REMARK 465 GLY J 83 REMARK 465 SER J 84 REMARK 465 VAL J 152 REMARK 465 GLU J 153 REMARK 465 SER J 154 REMARK 465 GLY J 155 REMARK 465 GLY J 156 REMARK 465 ARG J 157 REMARK 465 ASP J 158 REMARK 465 ARG J 159 REMARK 465 TYR J 160 REMARK 465 SER K 143 REMARK 465 LYS K 144 REMARK 465 SER K 145 REMARK 465 THR K 146 REMARK 465 SER K 147 REMARK 465 GLY K 148 REMARK 465 LYS K 229 REMARK 465 SER K 230 REMARK 465 CYS K 231 REMARK 465 ASP K 232 REMARK 465 LYS K 233 REMARK 465 THR K 234 REMARK 465 HIS K 235 REMARK 465 CYS L 234 REMARK 465 SER M 143 REMARK 465 LYS M 144 REMARK 465 SER M 145 REMARK 465 THR M 146 REMARK 465 SER M 147 REMARK 465 GLY M 148 REMARK 465 CYS M 231 REMARK 465 ASP M 232 REMARK 465 LYS M 233 REMARK 465 THR M 234 REMARK 465 HIS M 235 REMARK 465 GLU N 233 REMARK 465 CYS N 234 REMARK 465 GLY O 21 REMARK 465 SER O 22 REMARK 465 ALA O 23 REMARK 465 ALA O 24 REMARK 465 ALA O 25 REMARK 465 GLU O 26 REMARK 465 LEU O 27 REMARK 465 GLN O 28 REMARK 465 GLY O 29 REMARK 465 ASP O 30 REMARK 465 ARG O 31 REMARK 465 ASP O 56 REMARK 465 GLU O 57 REMARK 465 ASP O 58 REMARK 465 SER O 59 REMARK 465 TYR O 60 REMARK 465 GLU O 61 REMARK 465 ARG O 62 REMARK 465 ASP O 63 REMARK 465 PRO O 64 REMARK 465 TYR O 65 REMARK 465 SER O 66 REMARK 465 PRO O 67 REMARK 465 SER O 68 REMARK 465 GLN O 69 REMARK 465 ASP O 70 REMARK 465 PRO O 71 REMARK 465 TYR O 72 REMARK 465 SER O 73 REMARK 465 PRO O 74 REMARK 465 SER O 75 REMARK 465 PRO O 76 REMARK 465 TYR O 77 REMARK 465 ASP O 78 REMARK 465 ARG O 79 REMARK 465 ARG O 80 REMARK 465 GLY O 81 REMARK 465 ALA O 82 REMARK 465 GLY O 83 REMARK 465 SER O 84 REMARK 465 GLU O 153 REMARK 465 SER O 154 REMARK 465 GLY O 155 REMARK 465 GLY O 156 REMARK 465 ARG O 157 REMARK 465 ASP O 158 REMARK 465 ARG O 159 REMARK 465 TYR O 160 REMARK 465 SER P 143 REMARK 465 LYS P 144 REMARK 465 SER P 145 REMARK 465 THR P 146 REMARK 465 SER P 147 REMARK 465 GLY P 148 REMARK 465 SER P 230 REMARK 465 CYS P 231 REMARK 465 ASP P 232 REMARK 465 LYS P 233 REMARK 465 THR P 234 REMARK 465 HIS P 235 REMARK 465 CYS Q 234 REMARK 465 SER R 143 REMARK 465 LYS R 144 REMARK 465 SER R 145 REMARK 465 THR R 146 REMARK 465 SER R 147 REMARK 465 GLY R 148 REMARK 465 SER R 230 REMARK 465 CYS R 231 REMARK 465 ASP R 232 REMARK 465 LYS R 233 REMARK 465 THR R 234 REMARK 465 HIS R 235 REMARK 465 CYS V 234 REMARK 465 GLY T 21 REMARK 465 SER T 22 REMARK 465 ALA T 23 REMARK 465 ALA T 24 REMARK 465 ALA T 25 REMARK 465 GLU T 26 REMARK 465 LEU T 27 REMARK 465 GLN T 28 REMARK 465 ASP T 56 REMARK 465 GLU T 57 REMARK 465 ASP T 58 REMARK 465 SER T 59 REMARK 465 TYR T 60 REMARK 465 GLU T 61 REMARK 465 ARG T 62 REMARK 465 ASP T 63 REMARK 465 PRO T 64 REMARK 465 TYR T 65 REMARK 465 SER T 66 REMARK 465 PRO T 67 REMARK 465 SER T 68 REMARK 465 GLN T 69 REMARK 465 ASP T 70 REMARK 465 PRO T 71 REMARK 465 TYR T 72 REMARK 465 SER T 73 REMARK 465 PRO T 74 REMARK 465 SER T 75 REMARK 465 PRO T 76 REMARK 465 TYR T 77 REMARK 465 ASP T 78 REMARK 465 ARG T 79 REMARK 465 ARG T 80 REMARK 465 GLY T 81 REMARK 465 ALA T 82 REMARK 465 GLY T 83 REMARK 465 SER T 84 REMARK 465 GLU T 153 REMARK 465 SER T 154 REMARK 465 GLY T 155 REMARK 465 GLY T 156 REMARK 465 ARG T 157 REMARK 465 ASP T 158 REMARK 465 ARG T 159 REMARK 465 TYR T 160 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 GLN A 3 CG CD OE1 NE2 REMARK 470 VAL A 5 CG1 CG2 REMARK 470 SER A 7 OG REMARK 470 SER A 18 OG REMARK 470 ARG A 20 CG CD NE CZ NH1 NH2 REMARK 470 SER A 22 OG REMARK 470 GLU A 24 CG CD OE1 OE2 REMARK 470 SER A 26 OG REMARK 470 THR A 29 OG1 CG2 REMARK 470 ASP A 35 OD1 OD2 REMARK 470 SER A 45 OG REMARK 470 GLN A 47 CG CD OE1 NE2 REMARK 470 LYS A 48 CG CD CE NZ REMARK 470 GLU A 51 CD OE1 OE2 REMARK 470 VAL A 53 CG1 CG2 REMARK 470 SER A 54 OG REMARK 470 ARG A 57 CG CD NE CZ NH1 NH2 REMARK 470 ASP A 59 CG OD1 OD2 REMARK 470 SER A 63 OG REMARK 470 ARG A 64 CG CD NE CZ NH1 NH2 REMARK 470 THR A 65 OG1 CG2 REMARK 470 GLU A 66 CG CD OE1 OE2 REMARK 470 ASP A 69 CG OD1 OD2 REMARK 470 SER A 70 OG REMARK 470 VAL A 71 CG1 CG2 REMARK 470 LYS A 72 CG CD CE NZ REMARK 470 ARG A 75 CG CD NE CZ NH1 NH2 REMARK 470 THR A 77 OG1 CG2 REMARK 470 SER A 79 OG REMARK 470 ARG A 80 CG CD NE CZ NH1 NH2 REMARK 470 SER A 83 OG REMARK 470 LYS A 84 CG CD CE NZ REMARK 470 LEU A 87 CG CD1 CD2 REMARK 470 ARG A 95 CG CD NE CZ NH1 NH2 REMARK 470 ASP A 97 CG OD1 OD2 REMARK 470 VAL A 105 CG1 CG2 REMARK 470 SER A 117 OG REMARK 470 GLN A 120 CG CD OE1 NE2 REMARK 470 VAL A 126 CG1 CG2 REMARK 470 SER A 127 OG REMARK 470 SER A 128 OG REMARK 470 VAL B 2 CG1 CG2 REMARK 470 SER B 7 OG REMARK 470 LEU B 9 CG CD1 CD2 REMARK 470 SER B 10 OG REMARK 470 LEU B 11 CG CD1 CD2 REMARK 470 THR B 14 OG1 CG2 REMARK 470 GLU B 17 CG CD OE1 OE2 REMARK 470 SER B 20 OG REMARK 470 SER B 32 OG REMARK 470 LEU B 53 CG CD1 CD2 REMARK 470 SER B 65 OG REMARK 470 LYS B 66 CG CD CE NZ REMARK 470 VAL B 71 CG1 CG2 REMARK 470 SER B 83 OG REMARK 470 LYS B 90 CG CD CE NZ REMARK 470 ARG B 93 NE CZ NH1 NH2 REMARK 470 GLU B 95 CG CD OE1 OE2 REMARK 470 GLU B 97 CG CD OE1 OE2 REMARK 470 GLN B 114 CG CD OE1 NE2 REMARK 470 THR B 117 OG1 CG2 REMARK 470 LYS B 123 CG CD CE NZ REMARK 470 VAL B 124 CG1 CG2 REMARK 470 ASP B 125 CG OD1 OD2 REMARK 470 ILE B 126 CG1 CG2 CD1 REMARK 470 LYS B 127 CG CD CE NZ REMARK 470 GLN C 1 CG CD OE1 NE2 REMARK 470 GLN C 3 CG CD OE1 NE2 REMARK 470 LYS C 14 CD CE NZ REMARK 470 LYS C 48 CE NZ REMARK 470 LYS C 72 NZ REMARK 470 LYS C 84 NZ REMARK 470 LYS C 132 NZ REMARK 470 THR C 206 OG1 CG2 REMARK 470 THR C 208 OG1 CG2 REMARK 470 LYS C 216 CE NZ REMARK 470 ASN C 219 CG OD1 ND2 REMARK 470 LYS C 221 CG CD CE NZ REMARK 470 ARG C 225 CG CD NE CZ NH1 NH2 REMARK 470 GLU C 227 CG CD OE1 OE2 REMARK 470 SER C 230 OG REMARK 470 SER D 28 OG REMARK 470 LYS D 48 CG CD CE NZ REMARK 470 SER D 65 OG REMARK 470 SER D 74 OG REMARK 470 ARG D 77 CG CD NE CZ NH1 NH2 REMARK 470 SER D 79 OG REMARK 470 SER D 83 OG REMARK 470 LYS D 127 CD CE NZ REMARK 470 ASP D 142 CG OD1 OD2 REMARK 470 GLU D 143 CG CD OE1 OE2 REMARK 470 LYS D 146 CG CD CE NZ REMARK 470 SER D 147 OG REMARK 470 GLU D 163 CG CD OE1 OE2 REMARK 470 LYS D 165 CE NZ REMARK 470 LYS D 169 CD CE NZ REMARK 470 GLU D 185 CG CD OE1 OE2 REMARK 470 LYS D 189 CG CD CE NZ REMARK 470 LYS D 203 CG CD CE NZ REMARK 470 LYS D 208 CG CD CE NZ REMARK 470 LYS D 210 CD CE NZ REMARK 470 SER D 222 OG REMARK 470 SER D 223 OG REMARK 470 SER D 228 OG REMARK 470 GLU D 233 CG CD OE1 OE2 REMARK 470 CYS D 234 SG REMARK 470 GLN E 36 CG CD OE1 NE2 REMARK 470 LEU E 37 CG CD1 CD2 REMARK 470 GLU E 38 CG CD OE1 OE2 REMARK 470 ARG E 39 CG CD NE CZ NH1 NH2 REMARK 470 ARG E 43 CD NE CZ NH1 NH2 REMARK 470 MET E 50 CE REMARK 470 GLN E 51 CG CD OE1 NE2 REMARK 470 LYS E 52 CD CE NZ REMARK 470 GLN E 54 CG CD OE1 NE2 REMARK 470 ARG E 55 CG CD NE CZ NH1 NH2 REMARK 470 GLN E 86 CG CD OE1 NE2 REMARK 470 GLU E 89 OE1 OE2 REMARK 470 ARG E 90 CG CD NE CZ NH1 NH2 REMARK 470 GLU E 99 CG CD OE1 OE2 REMARK 470 ARG E 103 CD NE CZ NH1 NH2 REMARK 470 ASP E 118 CG OD1 OD2 REMARK 470 ARG E 123 CG CD NE CZ NH1 NH2 REMARK 470 GLN E 124 CD OE1 NE2 REMARK 470 GLN F 1 CG CD OE1 NE2 REMARK 470 GLN F 3 CG CD OE1 NE2 REMARK 470 VAL F 5 CG1 CG2 REMARK 470 SER F 7 OG REMARK 470 LEU F 11 CG CD1 CD2 REMARK 470 GLN F 14 CG CD OE1 NE2 REMARK 470 SER F 18 OG REMARK 470 SER F 22 OG REMARK 470 GLU F 24 CG CD OE1 OE2 REMARK 470 ASP F 35 CG OD1 OD2 REMARK 470 ARG F 43 CG CD NE CZ NH1 NH2 REMARK 470 SER F 45 OG REMARK 470 GLN F 47 CG CD OE1 NE2 REMARK 470 LYS F 48 CG CD CE NZ REMARK 470 VAL F 53 CG1 CG2 REMARK 470 SER F 54 OG REMARK 470 SER F 63 OG REMARK 470 ARG F 64 CG CD NE CZ NH1 NH2 REMARK 470 THR F 65 OG1 CG2 REMARK 470 GLU F 66 CG CD OE1 OE2 REMARK 470 ASP F 69 CG OD1 OD2 REMARK 470 SER F 70 OG REMARK 470 VAL F 71 CG1 CG2 REMARK 470 LYS F 72 CG CD CE NZ REMARK 470 THR F 77 OG1 CG2 REMARK 470 SER F 83 OG REMARK 470 LYS F 84 CG CD CE NZ REMARK 470 SER F 86 OG REMARK 470 LEU F 87 CG CD1 CD2 REMARK 470 LEU F 94 CG CD1 CD2 REMARK 470 ARG F 95 CG CD NE CZ NH1 NH2 REMARK 470 ASP F 97 CG OD1 OD2 REMARK 470 ASP F 98 CG OD1 OD2 REMARK 470 VAL F 105 CG1 CG2 REMARK 470 SER F 117 OG REMARK 470 GLN F 120 CG CD OE1 NE2 REMARK 470 VAL F 126 CG1 CG2 REMARK 470 SER F 127 OG REMARK 470 SER F 128 OG REMARK 470 SER F 130 OG REMARK 470 LYS F 132 CE NZ REMARK 470 SER F 135 OG REMARK 470 VAL F 157 CG1 CG2 REMARK 470 SER F 171 OG REMARK 470 SER F 202 OG REMARK 470 THR F 206 OG1 CG2 REMARK 470 THR F 208 OG1 CG2 REMARK 470 LYS F 216 CG CD CE NZ REMARK 470 LYS F 221 CE NZ REMARK 470 LYS F 224 CD CE NZ REMARK 470 ARG F 225 CG CD NE CZ NH1 NH2 REMARK 470 GLU F 227 CG CD OE1 OE2 REMARK 470 ASP G 1 CG OD1 OD2 REMARK 470 VAL G 2 CG1 CG2 REMARK 470 SER G 7 OG REMARK 470 LEU G 9 CG CD1 CD2 REMARK 470 SER G 10 OG REMARK 470 THR G 14 OG1 CG2 REMARK 470 SER G 20 OG REMARK 470 ARG G 24 NE CZ NH1 NH2 REMARK 470 LYS G 66 NZ REMARK 470 SER G 69 OG REMARK 470 SER G 83 OG REMARK 470 ARG G 93 CG CD NE CZ NH1 NH2 REMARK 470 GLU G 95 CG CD OE1 OE2 REMARK 470 GLU G 97 CG CD OE1 OE2 REMARK 470 LYS G 123 CG CD CE NZ REMARK 470 ARG G 128 CG CD NE CZ NH1 NH2 REMARK 470 GLU G 163 CG CD OE1 OE2 REMARK 470 GLU G 185 CG CD OE1 OE2 REMARK 470 LYS G 189 CG CD CE NZ REMARK 470 SER G 194 OG REMARK 470 LYS H 14 CD CE NZ REMARK 470 LYS H 48 CD CE NZ REMARK 470 GLU H 63 CG CD OE1 OE2 REMARK 470 LYS H 72 NZ REMARK 470 LYS H 84 CD CE NZ REMARK 470 GLU H 97 CD OE1 OE2 REMARK 470 THR H 208 OG1 CG2 REMARK 470 LYS H 216 CD CE NZ REMARK 470 ASN H 219 CG OD1 ND2 REMARK 470 LYS H 221 CG CD CE NZ REMARK 470 LYS H 224 CE NZ REMARK 470 SER I 28 OG REMARK 470 LYS I 48 CG CD CE NZ REMARK 470 SER I 65 OG REMARK 470 ARG I 77 NE CZ NH1 NH2 REMARK 470 SER I 79 OG REMARK 470 SER I 83 OG REMARK 470 ASP I 97 CG OD1 OD2 REMARK 470 LYS I 127 CD CE NZ REMARK 470 SER I 134 OG REMARK 470 LYS I 146 CG CD CE NZ REMARK 470 SER I 147 OG REMARK 470 GLU I 163 CG CD OE1 OE2 REMARK 470 LYS I 165 CD CE NZ REMARK 470 GLN I 167 CG CD OE1 NE2 REMARK 470 GLU I 185 CG CD OE1 OE2 REMARK 470 LYS I 189 CG CD CE NZ REMARK 470 LYS I 203 CG CD CE NZ REMARK 470 LYS I 208 CG CD CE NZ REMARK 470 LYS I 210 CG CD CE NZ REMARK 470 SER I 222 OG REMARK 470 SER I 223 OG REMARK 470 SER I 228 OG REMARK 470 GLU I 233 CG CD OE1 OE2 REMARK 470 ASP J 30 CG OD1 OD2 REMARK 470 ARG J 31 CG CD NE CZ NH1 NH2 REMARK 470 ARG J 32 CG CD NE CZ NH1 NH2 REMARK 470 ARG J 39 CG CD NE CZ NH1 NH2 REMARK 470 ARG J 43 NE CZ NH1 NH2 REMARK 470 MET J 50 CE REMARK 470 GLN J 51 CG CD OE1 NE2 REMARK 470 LYS J 52 CD CE NZ REMARK 470 GLN J 86 CD OE1 NE2 REMARK 470 GLU J 89 CD OE1 OE2 REMARK 470 ARG J 90 CD NE CZ NH1 NH2 REMARK 470 ASN J 93 CG OD1 ND2 REMARK 470 GLU J 97 CG CD OE1 OE2 REMARK 470 GLU J 99 CG CD OE1 OE2 REMARK 470 ARG J 103 CG CD NE CZ NH1 NH2 REMARK 470 ARG J 123 CG CD NE CZ NH1 NH2 REMARK 470 GLN J 124 CG CD OE1 NE2 REMARK 470 GLU J 126 CG CD OE1 OE2 REMARK 470 GLN J 127 CG CD OE1 NE2 REMARK 470 GLN K 1 CG CD OE1 NE2 REMARK 470 GLN K 3 CG CD OE1 NE2 REMARK 470 VAL K 5 CG1 CG2 REMARK 470 SER K 7 OG REMARK 470 LEU K 11 CG CD1 CD2 REMARK 470 GLN K 14 CG CD OE1 NE2 REMARK 470 SER K 18 OG REMARK 470 ARG K 20 CG CD NE CZ NH1 NH2 REMARK 470 SER K 22 OG REMARK 470 GLU K 24 CG CD OE1 OE2 REMARK 470 SER K 26 OG REMARK 470 THR K 29 OG1 CG2 REMARK 470 ASP K 35 CG OD1 OD2 REMARK 470 SER K 45 OG REMARK 470 GLN K 47 CG CD OE1 NE2 REMARK 470 LYS K 48 CG CD CE NZ REMARK 470 GLU K 51 CD OE1 OE2 REMARK 470 VAL K 53 CG1 CG2 REMARK 470 SER K 54 OG REMARK 470 ILE K 56 CG1 CG2 CD1 REMARK 470 ARG K 57 CG CD NE CZ NH1 NH2 REMARK 470 SER K 63 OG REMARK 470 ARG K 64 CG CD NE CZ NH1 NH2 REMARK 470 THR K 65 OG1 CG2 REMARK 470 ASP K 69 CG OD1 OD2 REMARK 470 SER K 70 OG REMARK 470 VAL K 71 CG1 CG2 REMARK 470 LYS K 72 CG CD CE NZ REMARK 470 ARG K 75 NE CZ NH1 NH2 REMARK 470 THR K 77 OG1 CG2 REMARK 470 SER K 79 OG REMARK 470 SER K 83 OG REMARK 470 LYS K 84 CG CD CE NZ REMARK 470 LEU K 87 CG CD1 CD2 REMARK 470 LEU K 94 CG CD1 CD2 REMARK 470 ARG K 95 CG CD NE CZ NH1 NH2 REMARK 470 ASP K 97 CG OD1 OD2 REMARK 470 ASP K 98 CG OD1 OD2 REMARK 470 SER K 117 OG REMARK 470 GLN K 120 CG CD OE1 NE2 REMARK 470 VAL K 126 CG1 CG2 REMARK 470 SER K 127 OG REMARK 470 SER K 128 OG REMARK 470 SER K 130 OG REMARK 470 LYS K 216 CD CE NZ REMARK 470 LYS K 221 CG CD CE NZ REMARK 470 ARG K 225 CD NE CZ NH1 NH2 REMARK 470 SER L 7 OG REMARK 470 LEU L 9 CG CD1 CD2 REMARK 470 SER L 10 OG REMARK 470 SER L 20 OG REMARK 470 ARG L 24 NE CZ NH1 NH2 REMARK 470 SER L 32 OG REMARK 470 SER L 65 OG REMARK 470 LYS L 66 CE NZ REMARK 470 LYS L 90 CG CD CE NZ REMARK 470 ARG L 93 NE CZ NH1 NH2 REMARK 470 GLU L 95 CG CD OE1 OE2 REMARK 470 GLU L 97 CG CD OE1 OE2 REMARK 470 LYS L 123 CG CD CE NZ REMARK 470 LYS L 127 CE NZ REMARK 470 GLU L 143 CG CD OE1 OE2 REMARK 470 LYS L 146 CD CE NZ REMARK 470 SER L 147 OG REMARK 470 GLU L 163 CG CD OE1 OE2 REMARK 470 LYS L 165 CG CD CE NZ REMARK 470 GLN L 167 CG CD OE1 NE2 REMARK 470 LYS L 189 CG CD CE NZ REMARK 470 LYS L 203 CG CD CE NZ REMARK 470 LYS L 208 CG CD CE NZ REMARK 470 LYS L 210 CE NZ REMARK 470 GLU L 233 CG CD OE1 OE2 REMARK 470 GLN M 1 CG CD OE1 NE2 REMARK 470 GLN M 3 CG CD OE1 NE2 REMARK 470 LYS M 14 NZ REMARK 470 LYS M 48 CD CE NZ REMARK 470 GLU M 63 CG CD OE1 OE2 REMARK 470 LYS M 72 CE NZ REMARK 470 GLN M 120 CG CD OE1 NE2 REMARK 470 THR M 166 OG1 CG2 REMARK 470 SER M 171 OG REMARK 470 THR M 208 OG1 CG2 REMARK 470 LYS M 216 CG CD CE NZ REMARK 470 SER M 218 OG REMARK 470 ASN M 219 CG OD1 ND2 REMARK 470 LYS M 221 CG CD CE NZ REMARK 470 ARG M 225 CG CD NE CZ NH1 NH2 REMARK 470 VAL M 226 CG1 CG2 REMARK 470 GLU M 227 CG CD OE1 OE2 REMARK 470 LYS M 229 CD CE NZ REMARK 470 SER M 230 OG REMARK 470 SER N 28 OG REMARK 470 LYS N 48 CG CD CE NZ REMARK 470 SER N 65 OG REMARK 470 SER N 74 OG REMARK 470 ARG N 77 CG CD NE CZ NH1 NH2 REMARK 470 SER N 79 OG REMARK 470 SER N 83 OG REMARK 470 ASP N 97 CG OD1 OD2 REMARK 470 LYS N 127 CD CE NZ REMARK 470 SER N 134 OG REMARK 470 ASP N 142 CG OD1 OD2 REMARK 470 GLU N 143 CG CD OE1 OE2 REMARK 470 LYS N 146 CG CD CE NZ REMARK 470 SER N 147 OG REMARK 470 GLU N 163 CG CD OE1 OE2 REMARK 470 LYS N 165 CD CE NZ REMARK 470 LYS N 169 NZ REMARK 470 LYS N 189 CG CD CE NZ REMARK 470 LYS N 203 CG CD CE NZ REMARK 470 LYS N 208 CE NZ REMARK 470 SER N 222 OG REMARK 470 SER N 223 OG REMARK 470 SER N 228 OG REMARK 470 ARG O 32 CG CD NE CZ NH1 NH2 REMARK 470 GLN O 34 CG CD OE1 NE2 REMARK 470 GLU O 38 CG CD OE1 OE2 REMARK 470 ARG O 39 CG CD NE CZ NH1 NH2 REMARK 470 ARG O 43 CG CD NE CZ NH1 NH2 REMARK 470 MET O 50 CE REMARK 470 GLN O 51 CD OE1 NE2 REMARK 470 LYS O 52 CE NZ REMARK 470 ARG O 55 CG CD NE CZ NH1 NH2 REMARK 470 GLN O 86 CG CD OE1 NE2 REMARK 470 GLU O 89 OE1 OE2 REMARK 470 ARG O 90 CG CD NE CZ NH1 NH2 REMARK 470 GLU O 99 CG CD OE1 OE2 REMARK 470 ARG O 103 CG CD NE CZ NH1 NH2 REMARK 470 GLU O 114 CD OE1 OE2 REMARK 470 GLN O 124 CG CD OE1 NE2 REMARK 470 GLN O 127 CG CD OE1 NE2 REMARK 470 GLN P 1 CG CD OE1 NE2 REMARK 470 GLN P 3 CG CD OE1 NE2 REMARK 470 VAL P 5 CG1 CG2 REMARK 470 SER P 7 OG REMARK 470 LEU P 11 CG CD1 CD2 REMARK 470 SER P 18 OG REMARK 470 SER P 22 OG REMARK 470 GLU P 24 CG CD OE1 OE2 REMARK 470 SER P 26 OG REMARK 470 SER P 45 OG REMARK 470 GLN P 47 CG CD OE1 NE2 REMARK 470 LYS P 48 CG CD CE NZ REMARK 470 GLU P 51 CD OE1 OE2 REMARK 470 SER P 63 OG REMARK 470 ARG P 64 CG CD NE CZ NH1 NH2 REMARK 470 SER P 79 OG REMARK 470 SER P 83 OG REMARK 470 SER P 117 OG REMARK 470 GLN P 120 CG CD OE1 NE2 REMARK 470 LYS P 132 NZ REMARK 470 THR P 150 OG1 CG2 REMARK 470 THR P 166 OG1 CG2 REMARK 470 SER P 171 OG REMARK 470 THR P 175 OG1 CG2 REMARK 470 SER P 176 OG REMARK 470 VAL P 178 CG1 CG2 REMARK 470 SER P 201 OG REMARK 470 SER P 202 OG REMARK 470 SER P 203 OG REMARK 470 LEU P 204 CG CD1 CD2 REMARK 470 THR P 206 OG1 CG2 REMARK 470 THR P 208 OG1 CG2 REMARK 470 ASN P 212 CG OD1 ND2 REMARK 470 ASN P 214 CG OD1 ND2 REMARK 470 LYS P 216 CG CD CE NZ REMARK 470 LYS P 221 CE NZ REMARK 470 LYS P 224 CG CD CE NZ REMARK 470 ARG P 225 CG CD NE CZ NH1 NH2 REMARK 470 VAL P 226 CG1 CG2 REMARK 470 GLU P 227 CG CD OE1 OE2 REMARK 470 LYS P 229 CG CD CE NZ REMARK 470 ASP Q 1 CG OD1 OD2 REMARK 470 VAL Q 2 CG1 CG2 REMARK 470 SER Q 7 OG REMARK 470 SER Q 10 OG REMARK 470 THR Q 14 OG1 CG2 REMARK 470 GLU Q 17 CG CD OE1 OE2 REMARK 470 SER Q 20 OG REMARK 470 SER Q 32 OG REMARK 470 SER Q 65 OG REMARK 470 LYS Q 66 CG CD CE NZ REMARK 470 LYS Q 90 CG CD CE NZ REMARK 470 ARG Q 93 CG CD NE CZ NH1 NH2 REMARK 470 GLU Q 97 CG CD OE1 OE2 REMARK 470 LYS Q 123 CG CD CE NZ REMARK 470 LYS Q 127 CD CE NZ REMARK 470 ARG Q 128 CG CD NE CZ NH1 NH2 REMARK 470 GLU Q 143 CG CD OE1 OE2 REMARK 470 LEU Q 145 CD1 CD2 REMARK 470 LYS Q 146 CG CD CE NZ REMARK 470 GLN Q 167 CD OE1 NE2 REMARK 470 LYS Q 169 CG CD CE NZ REMARK 470 ASN Q 172 CG OD1 ND2 REMARK 470 LEU Q 174 CG CD1 CD2 REMARK 470 GLN Q 175 CG CD OE1 NE2 REMARK 470 GLU Q 185 CG CD OE1 OE2 REMARK 470 LYS Q 189 CG CD CE NZ REMARK 470 ASP Q 190 CG OD1 OD2 REMARK 470 LYS Q 208 CG CD CE NZ REMARK 470 LYS Q 210 CG CD CE NZ REMARK 470 GLU Q 215 CG CD OE1 OE2 REMARK 470 SER Q 222 OG REMARK 470 SER Q 223 OG REMARK 470 LYS Q 227 CG CD CE NZ REMARK 470 ASN Q 230 CG OD1 ND2 REMARK 470 GLU Q 233 CG CD OE1 OE2 REMARK 470 GLN R 1 CG CD OE1 NE2 REMARK 470 LYS R 14 CD CE NZ REMARK 470 LYS R 48 CG CD CE NZ REMARK 470 LYS R 72 NZ REMARK 470 LYS R 132 CE NZ REMARK 470 THR R 208 OG1 CG2 REMARK 470 ILE R 210 CG1 CG2 CD1 REMARK 470 ASN R 214 CG OD1 ND2 REMARK 470 LYS R 216 CE NZ REMARK 470 ASN R 219 CG OD1 ND2 REMARK 470 LYS R 221 CG CD CE NZ REMARK 470 LYS R 224 CE NZ REMARK 470 ARG R 225 CG CD NE CZ NH1 NH2 REMARK 470 LYS R 229 CG CD CE NZ REMARK 470 SER V 28 OG REMARK 470 LYS V 48 CG CD CE NZ REMARK 470 SER V 65 OG REMARK 470 SER V 74 OG REMARK 470 ARG V 77 CG CD NE CZ NH1 NH2 REMARK 470 SER V 79 OG REMARK 470 SER V 83 OG REMARK 470 LYS V 127 CD CE NZ REMARK 470 SER V 134 OG REMARK 470 ASP V 142 CG OD1 OD2 REMARK 470 GLU V 143 CG CD OE1 OE2 REMARK 470 LYS V 146 CG CD CE NZ REMARK 470 SER V 147 OG REMARK 470 GLU V 163 CG CD OE1 OE2 REMARK 470 LYS V 165 CD CE NZ REMARK 470 LYS V 169 CD CE NZ REMARK 470 LYS V 189 CG CD CE NZ REMARK 470 LYS V 208 CD CE NZ REMARK 470 SER V 222 OG REMARK 470 SER V 223 OG REMARK 470 SER V 228 OG REMARK 470 GLU V 233 CG CD OE1 OE2 REMARK 470 ASP T 30 CG OD1 OD2 REMARK 470 ARG T 31 CG CD NE CZ NH1 NH2 REMARK 470 ARG T 32 CG CD NE CZ NH1 NH2 REMARK 470 GLN T 34 CG CD OE1 NE2 REMARK 470 GLU T 38 CG CD OE1 OE2 REMARK 470 ARG T 39 CG CD NE CZ NH1 NH2 REMARK 470 ARG T 43 CG CD NE CZ NH1 NH2 REMARK 470 GLN T 47 CG CD OE1 NE2 REMARK 470 MET T 50 CE REMARK 470 GLN T 51 CG CD OE1 NE2 REMARK 470 LYS T 52 CE NZ REMARK 470 GLN T 54 CG CD OE1 NE2 REMARK 470 ARG T 55 CG CD NE CZ NH1 NH2 REMARK 470 GLN T 86 CG CD OE1 NE2 REMARK 470 GLU T 89 CG CD OE1 OE2 REMARK 470 GLU T 99 CG CD OE1 OE2 REMARK 470 ARG T 103 CD NE CZ NH1 NH2 REMARK 470 ARG T 123 NE CZ NH1 NH2 REMARK 470 GLN T 124 CD OE1 NE2 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 OG1 THR R 175 O HOH R 301 2.19 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 CYS F 104 CA - CB - SG ANGL. DEV. = 7.2 DEGREES REMARK 500 LEU K 50 CB - CG - CD2 ANGL. DEV. = -11.1 DEGREES REMARK 500 CYS K 104 CA - CB - SG ANGL. DEV. = 6.7 DEGREES REMARK 500 CYS L 104 CA - CB - SG ANGL. DEV. = 6.7 DEGREES REMARK 500 CYS P 104 CA - CB - SG ANGL. DEV. = 7.7 DEGREES REMARK 500 THR Q 115 N - CA - C ANGL. DEV. = -19.8 DEGREES 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 ASP A 35 29.01 -78.69 REMARK 500 VAL A 53 -78.16 -106.08 REMARK 500 ALA A 100 167.65 179.90 REMARK 500 LEU B 53 -70.94 -93.34 REMARK 500 ALA B 96 -73.50 -60.99 REMARK 500 THR B 115 -97.90 -140.87 REMARK 500 LEU C 116 -55.95 -132.29 REMARK 500 ASP C 159 68.88 60.05 REMARK 500 PRO C 228 -167.98 -56.76 REMARK 500 SER D 36 -129.66 54.97 REMARK 500 ALA D 57 -15.34 72.23 REMARK 500 SER D 65 -13.85 -140.07 REMARK 500 ALA D 100 -170.74 -170.10 REMARK 500 GLN E 121 59.01 -92.13 REMARK 500 VAL F 2 74.85 -112.32 REMARK 500 GLN F 47 -85.83 -17.76 REMARK 500 SER F 63 -81.36 -82.54 REMARK 500 LEU F 110 43.54 -88.11 REMARK 500 ASP F 159 63.42 66.41 REMARK 500 SER G 69 -117.17 46.37 REMARK 500 THR G 115 -122.73 -133.54 REMARK 500 ARG G 128 -158.31 -90.99 REMARK 500 ASN G 158 88.17 38.33 REMARK 500 PRO G 161 -169.18 -73.16 REMARK 500 SER G 196 111.36 -163.21 REMARK 500 LEU H 116 -55.86 -132.45 REMARK 500 ASP H 159 69.04 60.41 REMARK 500 PRO H 228 -179.92 -56.61 REMARK 500 SER I 36 -129.80 55.28 REMARK 500 ALA I 57 -14.97 72.42 REMARK 500 GLN J 121 49.90 -92.31 REMARK 500 CYS J 148 110.68 -160.15 REMARK 500 VAL K 2 52.37 -110.84 REMARK 500 LEU K 11 -165.99 166.34 REMARK 500 THR K 65 77.67 -162.66 REMARK 500 ARG K 113 28.02 90.76 REMARK 500 ASP K 159 64.53 65.92 REMARK 500 THR K 175 -31.51 -130.29 REMARK 500 ASN L 34 -167.52 -75.40 REMARK 500 THR L 115 -138.48 49.03 REMARK 500 LEU M 116 -55.75 -131.58 REMARK 500 ASP M 159 68.98 60.30 REMARK 500 SER N 36 -129.20 54.81 REMARK 500 ALA N 57 -14.69 72.27 REMARK 500 GLN O 121 51.57 -91.06 REMARK 500 LEU P 11 -167.15 -122.19 REMARK 500 LEU P 110 45.69 -89.25 REMARK 500 ASP P 159 64.25 66.19 REMARK 500 ASN Q 34 -135.74 -74.18 REMARK 500 GLN Q 114 -69.27 -102.21 REMARK 500 REMARK 500 THIS ENTRY HAS 59 RAMACHANDRAN OUTLIERS. REMARK 500 REMARK 500 REMARK: NULL DBREF 9CMC A 1 235 PDB 9CMC 9CMC 1 235 DBREF 9CMC B 1 234 PDB 9CMC 9CMC 1 234 DBREF 9CMC C 1 235 PDB 9CMC 9CMC 1 235 DBREF 9CMC D 1 234 PDB 9CMC 9CMC 1 234 DBREF1 9CMC E 26 160 UNP A0A445BYI5_ARAHY DBREF2 9CMC E A0A445BYI5 26 160 DBREF 9CMC F 1 235 PDB 9CMC 9CMC 1 235 DBREF 9CMC G 1 234 PDB 9CMC 9CMC 1 234 DBREF 9CMC H 1 235 PDB 9CMC 9CMC 1 235 DBREF 9CMC I 1 234 PDB 9CMC 9CMC 1 234 DBREF1 9CMC J 26 160 UNP A0A445BYI5_ARAHY DBREF2 9CMC J A0A445BYI5 26 160 DBREF 9CMC K 1 235 PDB 9CMC 9CMC 1 235 DBREF 9CMC L 1 234 PDB 9CMC 9CMC 1 234 DBREF 9CMC M 1 235 PDB 9CMC 9CMC 1 235 DBREF 9CMC N 1 234 PDB 9CMC 9CMC 1 234 DBREF1 9CMC O 26 160 UNP A0A445BYI5_ARAHY DBREF2 9CMC O A0A445BYI5 26 160 DBREF 9CMC P 1 235 PDB 9CMC 9CMC 1 235 DBREF 9CMC Q 1 234 PDB 9CMC 9CMC 1 234 DBREF 9CMC R 1 235 PDB 9CMC 9CMC 1 235 DBREF 9CMC V 1 234 PDB 9CMC 9CMC 1 234 DBREF1 9CMC T 26 160 UNP A0A445BYI5_ARAHY DBREF2 9CMC T A0A445BYI5 26 160 SEQADV 9CMC GLY E 21 UNP A0A445BYI EXPRESSION TAG SEQADV 9CMC SER E 22 UNP A0A445BYI EXPRESSION TAG SEQADV 9CMC ALA E 23 UNP A0A445BYI EXPRESSION TAG SEQADV 9CMC ALA E 24 UNP A0A445BYI EXPRESSION TAG SEQADV 9CMC ALA E 25 UNP A0A445BYI EXPRESSION TAG SEQADV 9CMC GLY J 21 UNP A0A445BYI EXPRESSION TAG SEQADV 9CMC SER J 22 UNP A0A445BYI EXPRESSION TAG SEQADV 9CMC ALA J 23 UNP A0A445BYI EXPRESSION TAG SEQADV 9CMC ALA J 24 UNP A0A445BYI EXPRESSION TAG SEQADV 9CMC ALA J 25 UNP A0A445BYI EXPRESSION TAG SEQADV 9CMC GLY O 21 UNP A0A445BYI EXPRESSION TAG SEQADV 9CMC SER O 22 UNP A0A445BYI EXPRESSION TAG SEQADV 9CMC ALA O 23 UNP A0A445BYI EXPRESSION TAG SEQADV 9CMC ALA O 24 UNP A0A445BYI EXPRESSION TAG SEQADV 9CMC ALA O 25 UNP A0A445BYI EXPRESSION TAG SEQADV 9CMC GLY T 21 UNP A0A445BYI EXPRESSION TAG SEQADV 9CMC SER T 22 UNP A0A445BYI EXPRESSION TAG SEQADV 9CMC ALA T 23 UNP A0A445BYI EXPRESSION TAG SEQADV 9CMC ALA T 24 UNP A0A445BYI EXPRESSION TAG SEQADV 9CMC ALA T 25 UNP A0A445BYI EXPRESSION TAG SEQRES 1 A 225 GLN VAL GLN LEU VAL GLU SER GLY GLY LEU VAL VAL GLN SEQRES 2 A 225 PRO GLY GLY SER LEU ARG LEU SER CYS GLU ALA SER GLY SEQRES 3 A 225 PHE THR PHE ASP ASP TYR THR MET HIS TRP VAL ARG GLN SEQRES 4 A 225 SER PRO GLN LYS GLY LEU GLU TRP VAL SER LEU ILE ARG SEQRES 5 A 225 TRP ASP GLY SER ARG THR GLU TYR ALA ASP SER VAL LYS SEQRES 6 A 225 GLY ARG PHE THR ILE SER ARG ASP ASN SER LYS ASN SER SEQRES 7 A 225 LEU TYR LEU GLN MET ASN THR LEU ARG ALA ASP ASP SER SEQRES 8 A 225 ALA PHE TYR PHE CYS VAL LYS ASP GLY GLY LEU ARG TYR SEQRES 9 A 225 PHE ASP SER TRP GLY GLN GLY THR LEU VAL THR VAL SER SEQRES 10 A 225 SER ALA SER THR LYS GLY PRO SER VAL PHE PRO LEU ALA SEQRES 11 A 225 PRO SER SER LYS SER THR SER GLY GLY THR ALA ALA LEU SEQRES 12 A 225 GLY CYS LEU VAL LYS ASP TYR PHE PRO GLU PRO VAL THR SEQRES 13 A 225 VAL SER TRP ASN SER GLY ALA LEU THR SER GLY VAL HIS SEQRES 14 A 225 THR PHE PRO ALA VAL LEU GLN SER SER GLY LEU TYR SER SEQRES 15 A 225 LEU SER SER VAL VAL THR VAL PRO SER SER SER LEU GLY SEQRES 16 A 225 THR GLN THR TYR ILE CYS ASN VAL ASN HIS LYS PRO SER SEQRES 17 A 225 ASN THR LYS VAL ASP LYS ARG VAL GLU PRO LYS SER CYS SEQRES 18 A 225 ASP LYS THR HIS SEQRES 1 B 218 ASP VAL VAL MET THR GLN SER PRO LEU SER LEU PRO VAL SEQRES 2 B 218 THR PRO GLY GLU PRO ALA SER ILE SER CYS ARG SER SER SEQRES 3 B 218 GLN SER LEU LEU HIS SER ASN GLY ILE HIS TYR LEU ASP SEQRES 4 B 218 TRP TYR LEU GLN LYS PRO GLY GLN SER PRO GLN LEU LEU SEQRES 5 B 218 ILE TYR LEU GLY SER LYS ARG ALA SER GLY VAL PRO ASP SEQRES 6 B 218 ARG PHE SER GLY SER GLY SER GLY THR ASP PHE THR LEU SEQRES 7 B 218 LYS ILE SER ARG VAL GLU ALA GLU ASP VAL GLY VAL TYR SEQRES 8 B 218 TYR CYS MET GLN SER LEU GLN THR PHE THR PHE GLY PRO SEQRES 9 B 218 GLY THR LYS VAL ASP ILE LYS ARG THR VAL ALA ALA PRO SEQRES 10 B 218 SER VAL PHE ILE PHE PRO PRO SER ASP GLU GLN LEU LYS SEQRES 11 B 218 SER GLY THR ALA SER VAL VAL CYS LEU LEU ASN ASN PHE SEQRES 12 B 218 TYR PRO ARG GLU ALA LYS VAL GLN TRP LYS VAL ASP ASN SEQRES 13 B 218 ALA LEU GLN SER GLY ASN SER GLN GLU SER VAL THR GLU SEQRES 14 B 218 GLN ASP SER LYS ASP SER THR TYR SER LEU SER SER THR SEQRES 15 B 218 LEU THR LEU SER LYS ALA ASP TYR GLU LYS HIS LYS VAL SEQRES 16 B 218 TYR ALA CYS GLU VAL THR HIS GLN GLY LEU SER SER PRO SEQRES 17 B 218 VAL THR LYS SER PHE ASN ARG GLY GLU CYS SEQRES 1 C 228 GLN VAL GLN LEU VAL GLN SER GLY GLY GLY LEU VAL LYS SEQRES 2 C 228 PRO GLY GLY SER LEU ARG LEU SER CYS THR ALA SER GLY SEQRES 3 C 228 PHE SER PHE SER ASP SER TYR MET SER TRP ILE ARG GLN SEQRES 4 C 228 ALA PRO GLY LYS GLY LEU GLU TRP LEU THR TYR ILE SER SEQRES 5 C 228 GLY SER GLY GLU ILE ILE SER TYR ALA ASP SER VAL LYS SEQRES 6 C 228 GLY ARG PHE THR ILE SER ARG ASP ASN ALA LYS LYS SER SEQRES 7 C 228 VAL TYR LEU GLN MET ASP SER LEU ARG ALA GLU ASP THR SEQRES 8 C 228 ALA VAL TYR TYR CYS ALA ARG PRO SER ASP TYR PHE GLU SEQRES 9 C 228 THR SER GLU GLU LEU ASP TRP GLY GLN GLY THR LEU VAL SEQRES 10 C 228 THR VAL SER SER ALA SER THR LYS GLY PRO SER VAL PHE SEQRES 11 C 228 PRO LEU ALA PRO SER SER LYS SER THR SER GLY GLY THR SEQRES 12 C 228 ALA ALA LEU GLY CYS LEU VAL LYS ASP TYR PHE PRO GLU SEQRES 13 C 228 PRO VAL THR VAL SER TRP ASN SER GLY ALA LEU THR SER SEQRES 14 C 228 GLY VAL HIS THR PHE PRO ALA VAL LEU GLN SER SER GLY SEQRES 15 C 228 LEU TYR SER LEU SER SER VAL VAL THR VAL PRO SER SER SEQRES 16 C 228 SER LEU GLY THR GLN THR TYR ILE CYS ASN VAL ASN HIS SEQRES 17 C 228 LYS PRO SER ASN THR LYS VAL ASP LYS ARG VAL GLU PRO SEQRES 18 C 228 LYS SER CYS ASP LYS THR HIS SEQRES 1 D 214 GLU ILE VAL MET THR GLN SER PRO SER SER LEU SER ALA SEQRES 2 D 214 SER VAL GLY ASP ARG VAL THR ILE THR CYS ARG ALA SER SEQRES 3 D 214 GLN SER ILE SER THR TYR LEU ASN TRP TYR GLN GLN LYS SEQRES 4 D 214 PRO GLY LYS ALA PRO ASN LEU LEU ILE TYR ALA ALA SER SEQRES 5 D 214 SER LEU HIS SER GLY VAL PRO SER ARG PHE ARG GLY SER SEQRES 6 D 214 GLY SER GLY THR ASP PHE THR LEU THR ILE THR SER LEU SEQRES 7 D 214 GLN PRO ASP ASP PHE ALA THR TYR TYR CYS HIS GLN SER SEQRES 8 D 214 TYR SER ALA PRO ARG THR PHE GLY GLN GLY THR LYS LEU SEQRES 9 D 214 GLU ILE LYS ARG THR VAL ALA ALA PRO SER VAL PHE ILE SEQRES 10 D 214 PHE PRO PRO SER ASP GLU GLN LEU LYS SER GLY THR ALA SEQRES 11 D 214 SER VAL VAL CYS LEU LEU ASN ASN PHE TYR PRO ARG GLU SEQRES 12 D 214 ALA LYS VAL GLN TRP LYS VAL ASP ASN ALA LEU GLN SER SEQRES 13 D 214 GLY ASN SER GLN GLU SER VAL THR GLU GLN ASP SER LYS SEQRES 14 D 214 ASP SER THR TYR SER LEU SER SER THR LEU THR LEU SER SEQRES 15 D 214 LYS ALA ASP TYR GLU LYS HIS LYS VAL TYR ALA CYS GLU SEQRES 16 D 214 VAL THR HIS GLN GLY LEU SER SER PRO VAL THR LYS SER SEQRES 17 D 214 PHE ASN ARG GLY GLU CYS SEQRES 1 E 140 GLY SER ALA ALA ALA GLU LEU GLN GLY ASP ARG ARG CYS SEQRES 2 E 140 GLN SER GLN LEU GLU ARG ALA ASN LEU ARG PRO CYS GLU SEQRES 3 E 140 GLN HIS LEU MET GLN LYS ILE GLN ARG ASP GLU ASP SER SEQRES 4 E 140 TYR GLU ARG ASP PRO TYR SER PRO SER GLN ASP PRO TYR SEQRES 5 E 140 SER PRO SER PRO TYR ASP ARG ARG GLY ALA GLY SER SER SEQRES 6 E 140 GLN HIS GLN GLU ARG CYS CYS ASN GLU LEU ASN GLU PHE SEQRES 7 E 140 GLU ASN ASN GLN ARG CYS MET CYS GLU ALA LEU GLN GLN SEQRES 8 E 140 ILE MET GLU ASN GLN SER ASP ARG LEU GLN GLY ARG GLN SEQRES 9 E 140 GLN GLU GLN GLN PHE LYS ARG GLU LEU ARG ASN LEU PRO SEQRES 10 E 140 GLN GLN CYS GLY LEU ARG ALA PRO GLN ARG CYS ASP LEU SEQRES 11 E 140 ASP VAL GLU SER GLY GLY ARG ASP ARG TYR SEQRES 1 F 225 GLN VAL GLN LEU VAL GLU SER GLY GLY LEU VAL VAL GLN SEQRES 2 F 225 PRO GLY GLY SER LEU ARG LEU SER CYS GLU ALA SER GLY SEQRES 3 F 225 PHE THR PHE ASP ASP TYR THR MET HIS TRP VAL ARG GLN SEQRES 4 F 225 SER PRO GLN LYS GLY LEU GLU TRP VAL SER LEU ILE ARG SEQRES 5 F 225 TRP ASP GLY SER ARG THR GLU TYR ALA ASP SER VAL LYS SEQRES 6 F 225 GLY ARG PHE THR ILE SER ARG ASP ASN SER LYS ASN SER SEQRES 7 F 225 LEU TYR LEU GLN MET ASN THR LEU ARG ALA ASP ASP SER SEQRES 8 F 225 ALA PHE TYR PHE CYS VAL LYS ASP GLY GLY LEU ARG TYR SEQRES 9 F 225 PHE ASP SER TRP GLY GLN GLY THR LEU VAL THR VAL SER SEQRES 10 F 225 SER ALA SER THR LYS GLY PRO SER VAL PHE PRO LEU ALA SEQRES 11 F 225 PRO SER SER LYS SER THR SER GLY GLY THR ALA ALA LEU SEQRES 12 F 225 GLY CYS LEU VAL LYS ASP TYR PHE PRO GLU PRO VAL THR SEQRES 13 F 225 VAL SER TRP ASN SER GLY ALA LEU THR SER GLY VAL HIS SEQRES 14 F 225 THR PHE PRO ALA VAL LEU GLN SER SER GLY LEU TYR SER SEQRES 15 F 225 LEU SER SER VAL VAL THR VAL PRO SER SER SER LEU GLY SEQRES 16 F 225 THR GLN THR TYR ILE CYS ASN VAL ASN HIS LYS PRO SER SEQRES 17 F 225 ASN THR LYS VAL ASP LYS ARG VAL GLU PRO LYS SER CYS SEQRES 18 F 225 ASP LYS THR HIS SEQRES 1 G 218 ASP VAL VAL MET THR GLN SER PRO LEU SER LEU PRO VAL SEQRES 2 G 218 THR PRO GLY GLU PRO ALA SER ILE SER CYS ARG SER SER SEQRES 3 G 218 GLN SER LEU LEU HIS SER ASN GLY ILE HIS TYR LEU ASP SEQRES 4 G 218 TRP TYR LEU GLN LYS PRO GLY GLN SER PRO GLN LEU LEU SEQRES 5 G 218 ILE TYR LEU GLY SER LYS ARG ALA SER GLY VAL PRO ASP SEQRES 6 G 218 ARG PHE SER GLY SER GLY SER GLY THR ASP PHE THR LEU SEQRES 7 G 218 LYS ILE SER ARG VAL GLU ALA GLU ASP VAL GLY VAL TYR SEQRES 8 G 218 TYR CYS MET GLN SER LEU GLN THR PHE THR PHE GLY PRO SEQRES 9 G 218 GLY THR LYS VAL ASP ILE LYS ARG THR VAL ALA ALA PRO SEQRES 10 G 218 SER VAL PHE ILE PHE PRO PRO SER ASP GLU GLN LEU LYS SEQRES 11 G 218 SER GLY THR ALA SER VAL VAL CYS LEU LEU ASN ASN PHE SEQRES 12 G 218 TYR PRO ARG GLU ALA LYS VAL GLN TRP LYS VAL ASP ASN SEQRES 13 G 218 ALA LEU GLN SER GLY ASN SER GLN GLU SER VAL THR GLU SEQRES 14 G 218 GLN ASP SER LYS ASP SER THR TYR SER LEU SER SER THR SEQRES 15 G 218 LEU THR LEU SER LYS ALA ASP TYR GLU LYS HIS LYS VAL SEQRES 16 G 218 TYR ALA CYS GLU VAL THR HIS GLN GLY LEU SER SER PRO SEQRES 17 G 218 VAL THR LYS SER PHE ASN ARG GLY GLU CYS SEQRES 1 H 228 GLN VAL GLN LEU VAL GLN SER GLY GLY GLY LEU VAL LYS SEQRES 2 H 228 PRO GLY GLY SER LEU ARG LEU SER CYS THR ALA SER GLY SEQRES 3 H 228 PHE SER PHE SER ASP SER TYR MET SER TRP ILE ARG GLN SEQRES 4 H 228 ALA PRO GLY LYS GLY LEU GLU TRP LEU THR TYR ILE SER SEQRES 5 H 228 GLY SER GLY GLU ILE ILE SER TYR ALA ASP SER VAL LYS SEQRES 6 H 228 GLY ARG PHE THR ILE SER ARG ASP ASN ALA LYS LYS SER SEQRES 7 H 228 VAL TYR LEU GLN MET ASP SER LEU ARG ALA GLU ASP THR SEQRES 8 H 228 ALA VAL TYR TYR CYS ALA ARG PRO SER ASP TYR PHE GLU SEQRES 9 H 228 THR SER GLU GLU LEU ASP TRP GLY GLN GLY THR LEU VAL SEQRES 10 H 228 THR VAL SER SER ALA SER THR LYS GLY PRO SER VAL PHE SEQRES 11 H 228 PRO LEU ALA PRO SER SER LYS SER THR SER GLY GLY THR SEQRES 12 H 228 ALA ALA LEU GLY CYS LEU VAL LYS ASP TYR PHE PRO GLU SEQRES 13 H 228 PRO VAL THR VAL SER TRP ASN SER GLY ALA LEU THR SER SEQRES 14 H 228 GLY VAL HIS THR PHE PRO ALA VAL LEU GLN SER SER GLY SEQRES 15 H 228 LEU TYR SER LEU SER SER VAL VAL THR VAL PRO SER SER SEQRES 16 H 228 SER LEU GLY THR GLN THR TYR ILE CYS ASN VAL ASN HIS SEQRES 17 H 228 LYS PRO SER ASN THR LYS VAL ASP LYS ARG VAL GLU PRO SEQRES 18 H 228 LYS SER CYS ASP LYS THR HIS SEQRES 1 I 214 GLU ILE VAL MET THR GLN SER PRO SER SER LEU SER ALA SEQRES 2 I 214 SER VAL GLY ASP ARG VAL THR ILE THR CYS ARG ALA SER SEQRES 3 I 214 GLN SER ILE SER THR TYR LEU ASN TRP TYR GLN GLN LYS SEQRES 4 I 214 PRO GLY LYS ALA PRO ASN LEU LEU ILE TYR ALA ALA SER SEQRES 5 I 214 SER LEU HIS SER GLY VAL PRO SER ARG PHE ARG GLY SER SEQRES 6 I 214 GLY SER GLY THR ASP PHE THR LEU THR ILE THR SER LEU SEQRES 7 I 214 GLN PRO ASP ASP PHE ALA THR TYR TYR CYS HIS GLN SER SEQRES 8 I 214 TYR SER ALA PRO ARG THR PHE GLY GLN GLY THR LYS LEU SEQRES 9 I 214 GLU ILE LYS ARG THR VAL ALA ALA PRO SER VAL PHE ILE SEQRES 10 I 214 PHE PRO PRO SER ASP GLU GLN LEU LYS SER GLY THR ALA SEQRES 11 I 214 SER VAL VAL CYS LEU LEU ASN ASN PHE TYR PRO ARG GLU SEQRES 12 I 214 ALA LYS VAL GLN TRP LYS VAL ASP ASN ALA LEU GLN SER SEQRES 13 I 214 GLY ASN SER GLN GLU SER VAL THR GLU GLN ASP SER LYS SEQRES 14 I 214 ASP SER THR TYR SER LEU SER SER THR LEU THR LEU SER SEQRES 15 I 214 LYS ALA ASP TYR GLU LYS HIS LYS VAL TYR ALA CYS GLU SEQRES 16 I 214 VAL THR HIS GLN GLY LEU SER SER PRO VAL THR LYS SER SEQRES 17 I 214 PHE ASN ARG GLY GLU CYS SEQRES 1 J 140 GLY SER ALA ALA ALA GLU LEU GLN GLY ASP ARG ARG CYS SEQRES 2 J 140 GLN SER GLN LEU GLU ARG ALA ASN LEU ARG PRO CYS GLU SEQRES 3 J 140 GLN HIS LEU MET GLN LYS ILE GLN ARG ASP GLU ASP SER SEQRES 4 J 140 TYR GLU ARG ASP PRO TYR SER PRO SER GLN ASP PRO TYR SEQRES 5 J 140 SER PRO SER PRO TYR ASP ARG ARG GLY ALA GLY SER SER SEQRES 6 J 140 GLN HIS GLN GLU ARG CYS CYS ASN GLU LEU ASN GLU PHE SEQRES 7 J 140 GLU ASN ASN GLN ARG CYS MET CYS GLU ALA LEU GLN GLN SEQRES 8 J 140 ILE MET GLU ASN GLN SER ASP ARG LEU GLN GLY ARG GLN SEQRES 9 J 140 GLN GLU GLN GLN PHE LYS ARG GLU LEU ARG ASN LEU PRO SEQRES 10 J 140 GLN GLN CYS GLY LEU ARG ALA PRO GLN ARG CYS ASP LEU SEQRES 11 J 140 ASP VAL GLU SER GLY GLY ARG ASP ARG TYR SEQRES 1 K 225 GLN VAL GLN LEU VAL GLU SER GLY GLY LEU VAL VAL GLN SEQRES 2 K 225 PRO GLY GLY SER LEU ARG LEU SER CYS GLU ALA SER GLY SEQRES 3 K 225 PHE THR PHE ASP ASP TYR THR MET HIS TRP VAL ARG GLN SEQRES 4 K 225 SER PRO GLN LYS GLY LEU GLU TRP VAL SER LEU ILE ARG SEQRES 5 K 225 TRP ASP GLY SER ARG THR GLU TYR ALA ASP SER VAL LYS SEQRES 6 K 225 GLY ARG PHE THR ILE SER ARG ASP ASN SER LYS ASN SER SEQRES 7 K 225 LEU TYR LEU GLN MET ASN THR LEU ARG ALA ASP ASP SER SEQRES 8 K 225 ALA PHE TYR PHE CYS VAL LYS ASP GLY GLY LEU ARG TYR SEQRES 9 K 225 PHE ASP SER TRP GLY GLN GLY THR LEU VAL THR VAL SER SEQRES 10 K 225 SER ALA SER THR LYS GLY PRO SER VAL PHE PRO LEU ALA SEQRES 11 K 225 PRO SER SER LYS SER THR SER GLY GLY THR ALA ALA LEU SEQRES 12 K 225 GLY CYS LEU VAL LYS ASP TYR PHE PRO GLU PRO VAL THR SEQRES 13 K 225 VAL SER TRP ASN SER GLY ALA LEU THR SER GLY VAL HIS SEQRES 14 K 225 THR PHE PRO ALA VAL LEU GLN SER SER GLY LEU TYR SER SEQRES 15 K 225 LEU SER SER VAL VAL THR VAL PRO SER SER SER LEU GLY SEQRES 16 K 225 THR GLN THR TYR ILE CYS ASN VAL ASN HIS LYS PRO SER SEQRES 17 K 225 ASN THR LYS VAL ASP LYS ARG VAL GLU PRO LYS SER CYS SEQRES 18 K 225 ASP LYS THR HIS SEQRES 1 L 218 ASP VAL VAL MET THR GLN SER PRO LEU SER LEU PRO VAL SEQRES 2 L 218 THR PRO GLY GLU PRO ALA SER ILE SER CYS ARG SER SER SEQRES 3 L 218 GLN SER LEU LEU HIS SER ASN GLY ILE HIS TYR LEU ASP SEQRES 4 L 218 TRP TYR LEU GLN LYS PRO GLY GLN SER PRO GLN LEU LEU SEQRES 5 L 218 ILE TYR LEU GLY SER LYS ARG ALA SER GLY VAL PRO ASP SEQRES 6 L 218 ARG PHE SER GLY SER GLY SER GLY THR ASP PHE THR LEU SEQRES 7 L 218 LYS ILE SER ARG VAL GLU ALA GLU ASP VAL GLY VAL TYR SEQRES 8 L 218 TYR CYS MET GLN SER LEU GLN THR PHE THR PHE GLY PRO SEQRES 9 L 218 GLY THR LYS VAL ASP ILE LYS ARG THR VAL ALA ALA PRO SEQRES 10 L 218 SER VAL PHE ILE PHE PRO PRO SER ASP GLU GLN LEU LYS SEQRES 11 L 218 SER GLY THR ALA SER VAL VAL CYS LEU LEU ASN ASN PHE SEQRES 12 L 218 TYR PRO ARG GLU ALA LYS VAL GLN TRP LYS VAL ASP ASN SEQRES 13 L 218 ALA LEU GLN SER GLY ASN SER GLN GLU SER VAL THR GLU SEQRES 14 L 218 GLN ASP SER LYS ASP SER THR TYR SER LEU SER SER THR SEQRES 15 L 218 LEU THR LEU SER LYS ALA ASP TYR GLU LYS HIS LYS VAL SEQRES 16 L 218 TYR ALA CYS GLU VAL THR HIS GLN GLY LEU SER SER PRO SEQRES 17 L 218 VAL THR LYS SER PHE ASN ARG GLY GLU CYS SEQRES 1 M 228 GLN VAL GLN LEU VAL GLN SER GLY GLY GLY LEU VAL LYS SEQRES 2 M 228 PRO GLY GLY SER LEU ARG LEU SER CYS THR ALA SER GLY SEQRES 3 M 228 PHE SER PHE SER ASP SER TYR MET SER TRP ILE ARG GLN SEQRES 4 M 228 ALA PRO GLY LYS GLY LEU GLU TRP LEU THR TYR ILE SER SEQRES 5 M 228 GLY SER GLY GLU ILE ILE SER TYR ALA ASP SER VAL LYS SEQRES 6 M 228 GLY ARG PHE THR ILE SER ARG ASP ASN ALA LYS LYS SER SEQRES 7 M 228 VAL TYR LEU GLN MET ASP SER LEU ARG ALA GLU ASP THR SEQRES 8 M 228 ALA VAL TYR TYR CYS ALA ARG PRO SER ASP TYR PHE GLU SEQRES 9 M 228 THR SER GLU GLU LEU ASP TRP GLY GLN GLY THR LEU VAL SEQRES 10 M 228 THR VAL SER SER ALA SER THR LYS GLY PRO SER VAL PHE SEQRES 11 M 228 PRO LEU ALA PRO SER SER LYS SER THR SER GLY GLY THR SEQRES 12 M 228 ALA ALA LEU GLY CYS LEU VAL LYS ASP TYR PHE PRO GLU SEQRES 13 M 228 PRO VAL THR VAL SER TRP ASN SER GLY ALA LEU THR SER SEQRES 14 M 228 GLY VAL HIS THR PHE PRO ALA VAL LEU GLN SER SER GLY SEQRES 15 M 228 LEU TYR SER LEU SER SER VAL VAL THR VAL PRO SER SER SEQRES 16 M 228 SER LEU GLY THR GLN THR TYR ILE CYS ASN VAL ASN HIS SEQRES 17 M 228 LYS PRO SER ASN THR LYS VAL ASP LYS ARG VAL GLU PRO SEQRES 18 M 228 LYS SER CYS ASP LYS THR HIS SEQRES 1 N 214 GLU ILE VAL MET THR GLN SER PRO SER SER LEU SER ALA SEQRES 2 N 214 SER VAL GLY ASP ARG VAL THR ILE THR CYS ARG ALA SER SEQRES 3 N 214 GLN SER ILE SER THR TYR LEU ASN TRP TYR GLN GLN LYS SEQRES 4 N 214 PRO GLY LYS ALA PRO ASN LEU LEU ILE TYR ALA ALA SER SEQRES 5 N 214 SER LEU HIS SER GLY VAL PRO SER ARG PHE ARG GLY SER SEQRES 6 N 214 GLY SER GLY THR ASP PHE THR LEU THR ILE THR SER LEU SEQRES 7 N 214 GLN PRO ASP ASP PHE ALA THR TYR TYR CYS HIS GLN SER SEQRES 8 N 214 TYR SER ALA PRO ARG THR PHE GLY GLN GLY THR LYS LEU SEQRES 9 N 214 GLU ILE LYS ARG THR VAL ALA ALA PRO SER VAL PHE ILE SEQRES 10 N 214 PHE PRO PRO SER ASP GLU GLN LEU LYS SER GLY THR ALA SEQRES 11 N 214 SER VAL VAL CYS LEU LEU ASN ASN PHE TYR PRO ARG GLU SEQRES 12 N 214 ALA LYS VAL GLN TRP LYS VAL ASP ASN ALA LEU GLN SER SEQRES 13 N 214 GLY ASN SER GLN GLU SER VAL THR GLU GLN ASP SER LYS SEQRES 14 N 214 ASP SER THR TYR SER LEU SER SER THR LEU THR LEU SER SEQRES 15 N 214 LYS ALA ASP TYR GLU LYS HIS LYS VAL TYR ALA CYS GLU SEQRES 16 N 214 VAL THR HIS GLN GLY LEU SER SER PRO VAL THR LYS SER SEQRES 17 N 214 PHE ASN ARG GLY GLU CYS SEQRES 1 O 140 GLY SER ALA ALA ALA GLU LEU GLN GLY ASP ARG ARG CYS SEQRES 2 O 140 GLN SER GLN LEU GLU ARG ALA ASN LEU ARG PRO CYS GLU SEQRES 3 O 140 GLN HIS LEU MET GLN LYS ILE GLN ARG ASP GLU ASP SER SEQRES 4 O 140 TYR GLU ARG ASP PRO TYR SER PRO SER GLN ASP PRO TYR SEQRES 5 O 140 SER PRO SER PRO TYR ASP ARG ARG GLY ALA GLY SER SER SEQRES 6 O 140 GLN HIS GLN GLU ARG CYS CYS ASN GLU LEU ASN GLU PHE SEQRES 7 O 140 GLU ASN ASN GLN ARG CYS MET CYS GLU ALA LEU GLN GLN SEQRES 8 O 140 ILE MET GLU ASN GLN SER ASP ARG LEU GLN GLY ARG GLN SEQRES 9 O 140 GLN GLU GLN GLN PHE LYS ARG GLU LEU ARG ASN LEU PRO SEQRES 10 O 140 GLN GLN CYS GLY LEU ARG ALA PRO GLN ARG CYS ASP LEU SEQRES 11 O 140 ASP VAL GLU SER GLY GLY ARG ASP ARG TYR SEQRES 1 P 225 GLN VAL GLN LEU VAL GLU SER GLY GLY LEU VAL VAL GLN SEQRES 2 P 225 PRO GLY GLY SER LEU ARG LEU SER CYS GLU ALA SER GLY SEQRES 3 P 225 PHE THR PHE ASP ASP TYR THR MET HIS TRP VAL ARG GLN SEQRES 4 P 225 SER PRO GLN LYS GLY LEU GLU TRP VAL SER LEU ILE ARG SEQRES 5 P 225 TRP ASP GLY SER ARG THR GLU TYR ALA ASP SER VAL LYS SEQRES 6 P 225 GLY ARG PHE THR ILE SER ARG ASP ASN SER LYS ASN SER SEQRES 7 P 225 LEU TYR LEU GLN MET ASN THR LEU ARG ALA ASP ASP SER SEQRES 8 P 225 ALA PHE TYR PHE CYS VAL LYS ASP GLY GLY LEU ARG TYR SEQRES 9 P 225 PHE ASP SER TRP GLY GLN GLY THR LEU VAL THR VAL SER SEQRES 10 P 225 SER ALA SER THR LYS GLY PRO SER VAL PHE PRO LEU ALA SEQRES 11 P 225 PRO SER SER LYS SER THR SER GLY GLY THR ALA ALA LEU SEQRES 12 P 225 GLY CYS LEU VAL LYS ASP TYR PHE PRO GLU PRO VAL THR SEQRES 13 P 225 VAL SER TRP ASN SER GLY ALA LEU THR SER GLY VAL HIS SEQRES 14 P 225 THR PHE PRO ALA VAL LEU GLN SER SER GLY LEU TYR SER SEQRES 15 P 225 LEU SER SER VAL VAL THR VAL PRO SER SER SER LEU GLY SEQRES 16 P 225 THR GLN THR TYR ILE CYS ASN VAL ASN HIS LYS PRO SER SEQRES 17 P 225 ASN THR LYS VAL ASP LYS ARG VAL GLU PRO LYS SER CYS SEQRES 18 P 225 ASP LYS THR HIS SEQRES 1 Q 218 ASP VAL VAL MET THR GLN SER PRO LEU SER LEU PRO VAL SEQRES 2 Q 218 THR PRO GLY GLU PRO ALA SER ILE SER CYS ARG SER SER SEQRES 3 Q 218 GLN SER LEU LEU HIS SER ASN GLY ILE HIS TYR LEU ASP SEQRES 4 Q 218 TRP TYR LEU GLN LYS PRO GLY GLN SER PRO GLN LEU LEU SEQRES 5 Q 218 ILE TYR LEU GLY SER LYS ARG ALA SER GLY VAL PRO ASP SEQRES 6 Q 218 ARG PHE SER GLY SER GLY SER GLY THR ASP PHE THR LEU SEQRES 7 Q 218 LYS ILE SER ARG VAL GLU ALA GLU ASP VAL GLY VAL TYR SEQRES 8 Q 218 TYR CYS MET GLN SER LEU GLN THR PHE THR PHE GLY PRO SEQRES 9 Q 218 GLY THR LYS VAL ASP ILE LYS ARG THR VAL ALA ALA PRO SEQRES 10 Q 218 SER VAL PHE ILE PHE PRO PRO SER ASP GLU GLN LEU LYS SEQRES 11 Q 218 SER GLY THR ALA SER VAL VAL CYS LEU LEU ASN ASN PHE SEQRES 12 Q 218 TYR PRO ARG GLU ALA LYS VAL GLN TRP LYS VAL ASP ASN SEQRES 13 Q 218 ALA LEU GLN SER GLY ASN SER GLN GLU SER VAL THR GLU SEQRES 14 Q 218 GLN ASP SER LYS ASP SER THR TYR SER LEU SER SER THR SEQRES 15 Q 218 LEU THR LEU SER LYS ALA ASP TYR GLU LYS HIS LYS VAL SEQRES 16 Q 218 TYR ALA CYS GLU VAL THR HIS GLN GLY LEU SER SER PRO SEQRES 17 Q 218 VAL THR LYS SER PHE ASN ARG GLY GLU CYS SEQRES 1 R 228 GLN VAL GLN LEU VAL GLN SER GLY GLY GLY LEU VAL LYS SEQRES 2 R 228 PRO GLY GLY SER LEU ARG LEU SER CYS THR ALA SER GLY SEQRES 3 R 228 PHE SER PHE SER ASP SER TYR MET SER TRP ILE ARG GLN SEQRES 4 R 228 ALA PRO GLY LYS GLY LEU GLU TRP LEU THR TYR ILE SER SEQRES 5 R 228 GLY SER GLY GLU ILE ILE SER TYR ALA ASP SER VAL LYS SEQRES 6 R 228 GLY ARG PHE THR ILE SER ARG ASP ASN ALA LYS LYS SER SEQRES 7 R 228 VAL TYR LEU GLN MET ASP SER LEU ARG ALA GLU ASP THR SEQRES 8 R 228 ALA VAL TYR TYR CYS ALA ARG PRO SER ASP TYR PHE GLU SEQRES 9 R 228 THR SER GLU GLU LEU ASP TRP GLY GLN GLY THR LEU VAL SEQRES 10 R 228 THR VAL SER SER ALA SER THR LYS GLY PRO SER VAL PHE SEQRES 11 R 228 PRO LEU ALA PRO SER SER LYS SER THR SER GLY GLY THR SEQRES 12 R 228 ALA ALA LEU GLY CYS LEU VAL LYS ASP TYR PHE PRO GLU SEQRES 13 R 228 PRO VAL THR VAL SER TRP ASN SER GLY ALA LEU THR SER SEQRES 14 R 228 GLY VAL HIS THR PHE PRO ALA VAL LEU GLN SER SER GLY SEQRES 15 R 228 LEU TYR SER LEU SER SER VAL VAL THR VAL PRO SER SER SEQRES 16 R 228 SER LEU GLY THR GLN THR TYR ILE CYS ASN VAL ASN HIS SEQRES 17 R 228 LYS PRO SER ASN THR LYS VAL ASP LYS ARG VAL GLU PRO SEQRES 18 R 228 LYS SER CYS ASP LYS THR HIS SEQRES 1 V 214 GLU ILE VAL MET THR GLN SER PRO SER SER LEU SER ALA SEQRES 2 V 214 SER VAL GLY ASP ARG VAL THR ILE THR CYS ARG ALA SER SEQRES 3 V 214 GLN SER ILE SER THR TYR LEU ASN TRP TYR GLN GLN LYS SEQRES 4 V 214 PRO GLY LYS ALA PRO ASN LEU LEU ILE TYR ALA ALA SER SEQRES 5 V 214 SER LEU HIS SER GLY VAL PRO SER ARG PHE ARG GLY SER SEQRES 6 V 214 GLY SER GLY THR ASP PHE THR LEU THR ILE THR SER LEU SEQRES 7 V 214 GLN PRO ASP ASP PHE ALA THR TYR TYR CYS HIS GLN SER SEQRES 8 V 214 TYR SER ALA PRO ARG THR PHE GLY GLN GLY THR LYS LEU SEQRES 9 V 214 GLU ILE LYS ARG THR VAL ALA ALA PRO SER VAL PHE ILE SEQRES 10 V 214 PHE PRO PRO SER ASP GLU GLN LEU LYS SER GLY THR ALA SEQRES 11 V 214 SER VAL VAL CYS LEU LEU ASN ASN PHE TYR PRO ARG GLU SEQRES 12 V 214 ALA LYS VAL GLN TRP LYS VAL ASP ASN ALA LEU GLN SER SEQRES 13 V 214 GLY ASN SER GLN GLU SER VAL THR GLU GLN ASP SER LYS SEQRES 14 V 214 ASP SER THR TYR SER LEU SER SER THR LEU THR LEU SER SEQRES 15 V 214 LYS ALA ASP TYR GLU LYS HIS LYS VAL TYR ALA CYS GLU SEQRES 16 V 214 VAL THR HIS GLN GLY LEU SER SER PRO VAL THR LYS SER SEQRES 17 V 214 PHE ASN ARG GLY GLU CYS SEQRES 1 T 140 GLY SER ALA ALA ALA GLU LEU GLN GLY ASP ARG ARG CYS SEQRES 2 T 140 GLN SER GLN LEU GLU ARG ALA ASN LEU ARG PRO CYS GLU SEQRES 3 T 140 GLN HIS LEU MET GLN LYS ILE GLN ARG ASP GLU ASP SER SEQRES 4 T 140 TYR GLU ARG ASP PRO TYR SER PRO SER GLN ASP PRO TYR SEQRES 5 T 140 SER PRO SER PRO TYR ASP ARG ARG GLY ALA GLY SER SER SEQRES 6 T 140 GLN HIS GLN GLU ARG CYS CYS ASN GLU LEU ASN GLU PHE SEQRES 7 T 140 GLU ASN ASN GLN ARG CYS MET CYS GLU ALA LEU GLN GLN SEQRES 8 T 140 ILE MET GLU ASN GLN SER ASP ARG LEU GLN GLY ARG GLN SEQRES 9 T 140 GLN GLU GLN GLN PHE LYS ARG GLU LEU ARG ASN LEU PRO SEQRES 10 T 140 GLN GLN CYS GLY LEU ARG ALA PRO GLN ARG CYS ASP LEU SEQRES 11 T 140 ASP VAL GLU SER GLY GLY ARG ASP ARG TYR FORMUL 21 HOH *23(H2 O) HELIX 1 AA1 THR A 29 TYR A 37 5 5 HELIX 2 AA2 ARG A 95 SER A 99 5 5 HELIX 3 AA3 SER C 29 SER C 37 5 5 HELIX 4 AA4 ASN C 82 LYS C 84 5 3 HELIX 5 AA5 ARG C 95 THR C 99 5 5 HELIX 6 AA6 GLN D 95 PHE D 99 5 5 HELIX 7 AA7 SER D 141 LYS D 146 1 6 HELIX 8 AA8 LYS D 203 GLU D 207 1 5 HELIX 9 AA9 LEU E 42 ARG E 55 1 14 HELIX 10 AB1 GLN E 86 ASN E 96 1 11 HELIX 11 AB2 GLU E 97 GLU E 99 5 3 HELIX 12 AB3 ASN E 101 SER E 117 1 17 HELIX 13 AB4 ASP E 118 LEU E 120 5 3 HELIX 14 AB5 GLY E 122 ASN E 135 1 14 HELIX 15 AB6 ASN E 135 CYS E 140 1 6 HELIX 16 AB7 THR F 29 TYR F 37 5 5 HELIX 17 AB8 ASN F 82 LYS F 84 5 3 HELIX 18 AB9 ARG F 95 SER F 99 5 5 HELIX 19 AC1 SER F 171 ALA F 173 5 3 HELIX 20 AC2 SER F 202 THR F 206 5 5 HELIX 21 AC3 LYS F 216 ASN F 219 5 4 HELIX 22 AC4 GLU G 95 VAL G 99 5 5 HELIX 23 AC5 SER H 29 SER H 37 5 5 HELIX 24 AC6 ARG H 95 THR H 99 5 5 HELIX 25 AC7 GLN I 95 PHE I 99 5 5 HELIX 26 AC8 SER I 141 LYS I 146 1 6 HELIX 27 AC9 LYS I 203 GLU I 207 1 5 HELIX 28 AD1 ASP J 30 ALA J 40 1 11 HELIX 29 AD2 LEU J 42 GLN J 54 1 13 HELIX 30 AD3 GLN J 86 GLU J 97 1 12 HELIX 31 AD4 ASN J 101 ASP J 118 1 18 HELIX 32 AD5 GLY J 122 ASN J 135 1 14 HELIX 33 AD6 ASN J 135 CYS J 140 1 6 HELIX 34 AD7 THR K 29 TYR K 37 5 5 HELIX 35 AD8 ALA K 68 LYS K 72 5 5 HELIX 36 AD9 ARG K 95 SER K 99 5 5 HELIX 37 AE1 SER K 171 ALA K 173 5 3 HELIX 38 AE2 SER K 202 GLY K 205 5 4 HELIX 39 AE3 LYS K 216 ASN K 219 5 4 HELIX 40 AE4 GLU L 95 VAL L 99 5 5 HELIX 41 AE5 SER L 141 SER L 147 1 7 HELIX 42 AE6 LYS L 203 GLU L 207 1 5 HELIX 43 AE7 SER M 29 SER M 37 5 5 HELIX 44 AE8 ARG M 95 THR M 99 5 5 HELIX 45 AE9 GLN N 95 PHE N 99 5 5 HELIX 46 AF1 SER N 141 LYS N 146 1 6 HELIX 47 AF2 LYS N 203 GLU N 207 1 5 HELIX 48 AF3 CYS O 33 ARG O 39 1 7 HELIX 49 AF4 LEU O 42 ARG O 55 1 14 HELIX 50 AF5 GLN O 86 GLU O 97 1 12 HELIX 51 AF6 ASN O 101 SER O 117 1 17 HELIX 52 AF7 ASP O 118 LEU O 120 5 3 HELIX 53 AF8 GLY O 122 ASN O 135 1 14 HELIX 54 AF9 ASN O 135 CYS O 140 1 6 HELIX 55 AG1 THR P 29 TYR P 37 5 5 HELIX 56 AG2 ASP P 69 LYS P 72 5 4 HELIX 57 AG3 ASN P 82 LYS P 84 5 3 HELIX 58 AG4 ARG P 95 SER P 99 5 5 HELIX 59 AG5 SER P 171 ALA P 173 5 3 HELIX 60 AG6 SER P 202 THR P 206 5 5 HELIX 61 AG7 LYS P 216 ASN P 219 5 4 HELIX 62 AG8 GLU Q 95 VAL Q 99 5 5 HELIX 63 AG9 SER Q 141 SER Q 147 1 7 HELIX 64 AH1 LYS Q 203 GLU Q 207 1 5 HELIX 65 AH2 SER R 29 SER R 37 5 5 HELIX 66 AH3 ARG R 95 THR R 99 5 5 HELIX 67 AH4 GLN V 95 PHE V 99 5 5 HELIX 68 AH5 SER V 141 LYS V 146 1 6 HELIX 69 AH6 LYS V 203 GLU V 207 1 5 HELIX 70 AH7 ASP T 30 ARG T 39 1 10 HELIX 71 AH8 LEU T 42 GLN T 54 1 13 HELIX 72 AH9 GLN T 86 GLU T 97 1 12 HELIX 73 AI1 ASN T 101 SER T 117 1 17 HELIX 74 AI2 ASP T 118 LEU T 120 5 3 HELIX 75 AI3 GLY T 122 ASN T 135 1 14 HELIX 76 AI4 ASN T 135 CYS T 140 1 6 SHEET 1 AA1 2 LEU A 4 GLU A 6 0 SHEET 2 AA1 2 CYS A 23 ALA A 25 -1 O GLU A 24 N VAL A 5 SHEET 1 AA2 5 VAL A 12 VAL A 13 0 SHEET 2 AA2 5 THR A 122 VAL A 126 1 O THR A 125 N VAL A 13 SHEET 3 AA2 5 ALA A 100 ASP A 107 -1 N TYR A 102 O THR A 122 SHEET 4 AA2 5 MET A 39 GLN A 44 -1 N VAL A 42 O PHE A 103 SHEET 5 AA2 5 LEU A 50 ILE A 56 -1 O VAL A 53 N TRP A 41 SHEET 1 AA3 4 VAL A 12 VAL A 13 0 SHEET 2 AA3 4 THR A 122 VAL A 126 1 O THR A 125 N VAL A 13 SHEET 3 AA3 4 ALA A 100 ASP A 107 -1 N TYR A 102 O THR A 122 SHEET 4 AA3 4 PHE A 115 SER A 117 -1 O SER A 117 N LYS A 106 SHEET 1 AA4 3 SER A 18 LEU A 21 0 SHEET 2 AA4 3 SER A 86 ASN A 92 -1 O MET A 91 N LEU A 19 SHEET 3 AA4 3 PHE A 76 ASP A 81 -1 N SER A 79 O TYR A 88 SHEET 1 AA5 4 MET B 4 SER B 7 0 SHEET 2 AA5 4 ALA B 19 SER B 25 -1 O ARG B 24 N THR B 5 SHEET 3 AA5 4 ASP B 86 ILE B 91 -1 O PHE B 87 N CYS B 23 SHEET 4 AA5 4 SER B 79 SER B 83 -1 N SER B 79 O THR B 88 SHEET 1 AA6 4 PRO B 50 LEU B 52 0 SHEET 2 AA6 4 LEU B 39 GLN B 44 -1 N LEU B 43 O GLN B 51 SHEET 3 AA6 4 VAL B 101 GLN B 106 -1 O TYR B 103 N TYR B 42 SHEET 4 AA6 4 THR B 117 PHE B 118 -1 O THR B 117 N GLN B 106 SHEET 1 AA7 4 PRO B 50 LEU B 52 0 SHEET 2 AA7 4 LEU B 39 GLN B 44 -1 N LEU B 43 O GLN B 51 SHEET 3 AA7 4 VAL B 101 GLN B 106 -1 O TYR B 103 N TYR B 42 SHEET 4 AA7 4 THR B 122 LYS B 123 -1 O THR B 122 N TYR B 102 SHEET 1 AA8 2 ILE B 54 TYR B 55 0 SHEET 2 AA8 2 LYS B 66 ARG B 67 -1 O LYS B 66 N TYR B 55 SHEET 1 AA9 4 GLN C 3 SER C 7 0 SHEET 2 AA9 4 LEU C 19 SER C 26 -1 O SER C 26 N GLN C 3 SHEET 3 AA9 4 SER C 86 MET C 91 -1 O MET C 91 N LEU C 19 SHEET 4 AA9 4 PHE C 76 ASP C 81 -1 N THR C 77 O GLN C 90 SHEET 1 AB1 6 GLY C 11 VAL C 13 0 SHEET 2 AB1 6 THR C 122 VAL C 126 1 O THR C 125 N GLY C 11 SHEET 3 AB1 6 ALA C 100 PRO C 107 -1 N TYR C 102 O THR C 122 SHEET 4 AB1 6 MET C 39 GLN C 44 -1 N ILE C 42 O TYR C 103 SHEET 5 AB1 6 LEU C 50 ILE C 56 -1 O GLU C 51 N ARG C 43 SHEET 6 AB1 6 ILE C 65 TYR C 67 -1 O SER C 66 N TYR C 55 SHEET 1 AB2 4 GLY C 11 VAL C 13 0 SHEET 2 AB2 4 THR C 122 VAL C 126 1 O THR C 125 N GLY C 11 SHEET 3 AB2 4 ALA C 100 PRO C 107 -1 N TYR C 102 O THR C 122 SHEET 4 AB2 4 GLU C 115 TRP C 118 -1 O LEU C 116 N ARG C 106 SHEET 1 AB3 4 SER C 135 LEU C 139 0 SHEET 2 AB3 4 THR C 150 TYR C 160 -1 O GLY C 154 N LEU C 139 SHEET 3 AB3 4 TYR C 191 PRO C 200 -1 O LEU C 193 N VAL C 157 SHEET 4 AB3 4 VAL C 178 THR C 180 -1 N HIS C 179 O VAL C 196 SHEET 1 AB4 4 SER C 135 LEU C 139 0 SHEET 2 AB4 4 THR C 150 TYR C 160 -1 O GLY C 154 N LEU C 139 SHEET 3 AB4 4 TYR C 191 PRO C 200 -1 O LEU C 193 N VAL C 157 SHEET 4 AB4 4 VAL C 184 LEU C 185 -1 N VAL C 184 O SER C 192 SHEET 1 AB5 3 THR C 166 TRP C 169 0 SHEET 2 AB5 3 ILE C 210 HIS C 215 -1 O ASN C 214 N THR C 166 SHEET 3 AB5 3 THR C 220 ARG C 225 -1 O VAL C 222 N VAL C 213 SHEET 1 AB6 4 MET D 4 SER D 7 0 SHEET 2 AB6 4 VAL D 19 ALA D 25 -1 O ARG D 24 N THR D 5 SHEET 3 AB6 4 ASP D 86 ILE D 91 -1 O LEU D 89 N ILE D 21 SHEET 4 AB6 4 PHE D 76 SER D 83 -1 N ARG D 77 O THR D 90 SHEET 1 AB7 6 SER D 10 ALA D 13 0 SHEET 2 AB7 6 THR D 122 ILE D 126 1 O GLU D 125 N LEU D 11 SHEET 3 AB7 6 THR D 101 GLN D 106 -1 N TYR D 102 O THR D 122 SHEET 4 AB7 6 LEU D 39 GLN D 44 -1 N ASN D 40 O HIS D 105 SHEET 5 AB7 6 ASN D 51 TYR D 55 -1 O ASN D 51 N GLN D 43 SHEET 6 AB7 6 SER D 66 LEU D 67 -1 O SER D 66 N TYR D 55 SHEET 1 AB8 4 SER D 10 ALA D 13 0 SHEET 2 AB8 4 THR D 122 ILE D 126 1 O GLU D 125 N LEU D 11 SHEET 3 AB8 4 THR D 101 GLN D 106 -1 N TYR D 102 O THR D 122 SHEET 4 AB8 4 THR D 117 PHE D 118 -1 O THR D 117 N GLN D 106 SHEET 1 AB9 4 SER D 134 PHE D 138 0 SHEET 2 AB9 4 THR D 149 PHE D 159 -1 O LEU D 155 N PHE D 136 SHEET 3 AB9 4 TYR D 193 SER D 202 -1 O TYR D 193 N PHE D 159 SHEET 4 AB9 4 SER D 179 VAL D 183 -1 N SER D 182 O SER D 196 SHEET 1 AC1 4 ALA D 173 LEU D 174 0 SHEET 2 AC1 4 LYS D 165 VAL D 170 -1 N VAL D 170 O ALA D 173 SHEET 3 AC1 4 VAL D 211 THR D 217 -1 O GLU D 215 N GLN D 167 SHEET 4 AC1 4 VAL D 225 ASN D 230 -1 O VAL D 225 N VAL D 216 SHEET 1 AC2 4 LEU F 4 SER F 7 0 SHEET 2 AC2 4 LEU F 19 ALA F 25 -1 O GLU F 24 N VAL F 5 SHEET 3 AC2 4 SER F 86 MET F 91 -1 O MET F 91 N LEU F 19 SHEET 4 AC2 4 PHE F 76 ASP F 81 -1 N SER F 79 O TYR F 88 SHEET 1 AC3 6 VAL F 12 VAL F 13 0 SHEET 2 AC3 6 THR F 122 VAL F 126 1 O THR F 125 N VAL F 13 SHEET 3 AC3 6 ALA F 100 ASP F 107 -1 N TYR F 102 O THR F 122 SHEET 4 AC3 6 MET F 39 SER F 45 -1 N VAL F 42 O PHE F 103 SHEET 5 AC3 6 GLY F 49 ILE F 56 -1 O GLU F 51 N ARG F 43 SHEET 6 AC3 6 THR F 65 TYR F 67 -1 O GLU F 66 N LEU F 55 SHEET 1 AC4 4 VAL F 12 VAL F 13 0 SHEET 2 AC4 4 THR F 122 VAL F 126 1 O THR F 125 N VAL F 13 SHEET 3 AC4 4 ALA F 100 ASP F 107 -1 N TYR F 102 O THR F 122 SHEET 4 AC4 4 PHE F 115 TRP F 118 -1 O SER F 117 N LYS F 106 SHEET 1 AC5 4 SER F 135 PHE F 137 0 SHEET 2 AC5 4 THR F 150 TYR F 160 -1 O LYS F 158 N SER F 135 SHEET 3 AC5 4 TYR F 191 PRO F 200 -1 O VAL F 197 N LEU F 153 SHEET 4 AC5 4 VAL F 178 THR F 180 -1 N HIS F 179 O VAL F 196 SHEET 1 AC6 4 SER F 135 PHE F 137 0 SHEET 2 AC6 4 THR F 150 TYR F 160 -1 O LYS F 158 N SER F 135 SHEET 3 AC6 4 TYR F 191 PRO F 200 -1 O VAL F 197 N LEU F 153 SHEET 4 AC6 4 VAL F 184 LEU F 185 -1 N VAL F 184 O SER F 192 SHEET 1 AC7 3 THR F 166 TRP F 169 0 SHEET 2 AC7 3 TYR F 209 HIS F 215 -1 O ASN F 212 N SER F 168 SHEET 3 AC7 3 THR F 220 VAL F 226 -1 O VAL F 226 N TYR F 209 SHEET 1 AC8 4 MET G 4 SER G 7 0 SHEET 2 AC8 4 ALA G 19 SER G 25 -1 O ARG G 24 N THR G 5 SHEET 3 AC8 4 ASP G 86 ILE G 91 -1 O ILE G 91 N ALA G 19 SHEET 4 AC8 4 PHE G 76 SER G 83 -1 N SER G 77 O LYS G 90 SHEET 1 AC9 6 SER G 10 VAL G 13 0 SHEET 2 AC9 6 THR G 122 ILE G 126 1 O ASP G 125 N VAL G 13 SHEET 3 AC9 6 GLY G 100 GLN G 106 -1 N GLY G 100 O VAL G 124 SHEET 4 AC9 6 LEU G 39 GLN G 44 -1 N ASP G 40 O MET G 105 SHEET 5 AC9 6 PRO G 50 TYR G 55 -1 O ILE G 54 N TRP G 41 SHEET 6 AC9 6 LYS G 66 ARG G 67 -1 O LYS G 66 N TYR G 55 SHEET 1 AD1 4 SER G 10 VAL G 13 0 SHEET 2 AD1 4 THR G 122 ILE G 126 1 O ASP G 125 N VAL G 13 SHEET 3 AD1 4 GLY G 100 GLN G 106 -1 N GLY G 100 O VAL G 124 SHEET 4 AD1 4 THR G 117 PHE G 118 -1 O THR G 117 N GLN G 106 SHEET 1 AD2 4 GLN H 3 SER H 7 0 SHEET 2 AD2 4 LEU H 19 SER H 26 -1 O THR H 24 N VAL H 5 SHEET 3 AD2 4 SER H 86 MET H 91 -1 O LEU H 89 N LEU H 21 SHEET 4 AD2 4 PHE H 76 ASP H 81 -1 N THR H 77 O GLN H 90 SHEET 1 AD3 6 GLY H 11 VAL H 13 0 SHEET 2 AD3 6 THR H 122 VAL H 126 1 O LEU H 123 N GLY H 11 SHEET 3 AD3 6 ALA H 100 PRO H 107 -1 N TYR H 102 O THR H 122 SHEET 4 AD3 6 MET H 39 GLN H 44 -1 N ILE H 42 O TYR H 103 SHEET 5 AD3 6 LEU H 50 ILE H 56 -1 O GLU H 51 N ARG H 43 SHEET 6 AD3 6 ILE H 65 TYR H 67 -1 O SER H 66 N TYR H 55 SHEET 1 AD4 4 GLY H 11 VAL H 13 0 SHEET 2 AD4 4 THR H 122 VAL H 126 1 O LEU H 123 N GLY H 11 SHEET 3 AD4 4 ALA H 100 PRO H 107 -1 N TYR H 102 O THR H 122 SHEET 4 AD4 4 GLU H 115 TRP H 118 -1 O ASP H 117 N ARG H 106 SHEET 1 AD5 4 SER H 135 LEU H 139 0 SHEET 2 AD5 4 ALA H 151 TYR H 160 -1 O LEU H 156 N PHE H 137 SHEET 3 AD5 4 TYR H 191 VAL H 199 -1 O VAL H 197 N LEU H 153 SHEET 4 AD5 4 VAL H 178 THR H 180 -1 N HIS H 179 O VAL H 196 SHEET 1 AD6 4 SER H 135 LEU H 139 0 SHEET 2 AD6 4 ALA H 151 TYR H 160 -1 O LEU H 156 N PHE H 137 SHEET 3 AD6 4 TYR H 191 VAL H 199 -1 O VAL H 197 N LEU H 153 SHEET 4 AD6 4 VAL H 184 LEU H 185 -1 N VAL H 184 O SER H 192 SHEET 1 AD7 3 THR H 166 TRP H 169 0 SHEET 2 AD7 3 ILE H 210 HIS H 215 -1 O ASN H 214 N THR H 166 SHEET 3 AD7 3 THR H 220 ARG H 225 -1 O VAL H 222 N VAL H 213 SHEET 1 AD8 4 MET I 4 SER I 7 0 SHEET 2 AD8 4 VAL I 19 ALA I 25 -1 O ARG I 24 N THR I 5 SHEET 3 AD8 4 ASP I 86 ILE I 91 -1 O LEU I 89 N ILE I 21 SHEET 4 AD8 4 PHE I 76 SER I 83 -1 N ARG I 77 O THR I 90 SHEET 1 AD9 6 SER I 10 ALA I 13 0 SHEET 2 AD9 6 THR I 122 ILE I 126 1 O GLU I 125 N LEU I 11 SHEET 3 AD9 6 THR I 101 GLN I 106 -1 N TYR I 102 O THR I 122 SHEET 4 AD9 6 LEU I 39 GLN I 44 -1 N ASN I 40 O HIS I 105 SHEET 5 AD9 6 ASN I 51 TYR I 55 -1 O ASN I 51 N GLN I 43 SHEET 6 AD9 6 SER I 66 LEU I 67 -1 O SER I 66 N TYR I 55 SHEET 1 AE1 4 SER I 10 ALA I 13 0 SHEET 2 AE1 4 THR I 122 ILE I 126 1 O GLU I 125 N LEU I 11 SHEET 3 AE1 4 THR I 101 GLN I 106 -1 N TYR I 102 O THR I 122 SHEET 4 AE1 4 THR I 117 PHE I 118 -1 O THR I 117 N GLN I 106 SHEET 1 AE2 4 SER I 134 PHE I 138 0 SHEET 2 AE2 4 THR I 149 PHE I 159 -1 O LEU I 155 N PHE I 136 SHEET 3 AE2 4 TYR I 193 SER I 202 -1 O LEU I 201 N ALA I 150 SHEET 4 AE2 4 SER I 179 VAL I 183 -1 N SER I 182 O SER I 196 SHEET 1 AE3 4 ALA I 173 LEU I 174 0 SHEET 2 AE3 4 LYS I 165 VAL I 170 -1 N VAL I 170 O ALA I 173 SHEET 3 AE3 4 VAL I 211 THR I 217 -1 O GLU I 215 N GLN I 167 SHEET 4 AE3 4 VAL I 225 ASN I 230 -1 O VAL I 225 N VAL I 216 SHEET 1 AE4 4 LEU K 4 SER K 7 0 SHEET 2 AE4 4 LEU K 19 ALA K 25 -1 O GLU K 24 N VAL K 5 SHEET 3 AE4 4 SER K 86 MET K 91 -1 O LEU K 87 N CYS K 23 SHEET 4 AE4 4 PHE K 76 ASP K 81 -1 N THR K 77 O GLN K 90 SHEET 1 AE5 5 VAL K 12 VAL K 13 0 SHEET 2 AE5 5 THR K 122 VAL K 126 1 O THR K 125 N VAL K 13 SHEET 3 AE5 5 ALA K 100 ASP K 107 -1 N TYR K 102 O THR K 122 SHEET 4 AE5 5 MET K 39 SER K 45 -1 N VAL K 42 O PHE K 103 SHEET 5 AE5 5 GLY K 49 ILE K 56 -1 O GLY K 49 N SER K 45 SHEET 1 AE6 4 VAL K 12 VAL K 13 0 SHEET 2 AE6 4 THR K 122 VAL K 126 1 O THR K 125 N VAL K 13 SHEET 3 AE6 4 ALA K 100 ASP K 107 -1 N TYR K 102 O THR K 122 SHEET 4 AE6 4 PHE K 115 TRP K 118 -1 O SER K 117 N LYS K 106 SHEET 1 AE7 4 SER K 135 LEU K 139 0 SHEET 2 AE7 4 THR K 150 TYR K 160 -1 O LEU K 156 N PHE K 137 SHEET 3 AE7 4 TYR K 191 PRO K 200 -1 O LEU K 193 N VAL K 157 SHEET 4 AE7 4 VAL K 178 THR K 180 -1 N HIS K 179 O VAL K 196 SHEET 1 AE8 4 SER K 135 LEU K 139 0 SHEET 2 AE8 4 THR K 150 TYR K 160 -1 O LEU K 156 N PHE K 137 SHEET 3 AE8 4 TYR K 191 PRO K 200 -1 O LEU K 193 N VAL K 157 SHEET 4 AE8 4 VAL K 184 LEU K 185 -1 N VAL K 184 O SER K 192 SHEET 1 AE9 3 THR K 166 TRP K 169 0 SHEET 2 AE9 3 TYR K 209 HIS K 215 -1 O ASN K 212 N SER K 168 SHEET 3 AE9 3 THR K 220 VAL K 226 -1 O VAL K 226 N TYR K 209 SHEET 1 AF1 4 MET L 4 SER L 7 0 SHEET 2 AF1 4 ALA L 19 SER L 25 -1 O SER L 22 N SER L 7 SHEET 3 AF1 4 ASP L 86 ILE L 91 -1 O ILE L 91 N ALA L 19 SHEET 4 AF1 4 PHE L 76 SER L 83 -1 N SER L 77 O LYS L 90 SHEET 1 AF2 6 SER L 10 VAL L 13 0 SHEET 2 AF2 6 THR L 122 ILE L 126 1 O LYS L 123 N LEU L 11 SHEET 3 AF2 6 GLY L 100 GLN L 106 -1 N GLY L 100 O VAL L 124 SHEET 4 AF2 6 LEU L 39 GLN L 44 -1 N ASP L 40 O MET L 105 SHEET 5 AF2 6 GLN L 51 TYR L 55 -1 O LEU L 53 N TRP L 41 SHEET 6 AF2 6 LYS L 66 ARG L 67 -1 O LYS L 66 N TYR L 55 SHEET 1 AF3 4 SER L 10 VAL L 13 0 SHEET 2 AF3 4 THR L 122 ILE L 126 1 O LYS L 123 N LEU L 11 SHEET 3 AF3 4 GLY L 100 GLN L 106 -1 N GLY L 100 O VAL L 124 SHEET 4 AF3 4 THR L 117 PHE L 118 -1 O THR L 117 N GLN L 106 SHEET 1 AF4 4 SER L 134 PHE L 138 0 SHEET 2 AF4 4 THR L 149 PHE L 159 -1 O LEU L 155 N PHE L 136 SHEET 3 AF4 4 TYR L 193 SER L 202 -1 O LEU L 201 N ALA L 150 SHEET 4 AF4 4 SER L 179 VAL L 183 -1 N GLN L 180 O THR L 198 SHEET 1 AF5 4 ALA L 173 LEU L 174 0 SHEET 2 AF5 4 ALA L 164 VAL L 170 -1 N VAL L 170 O ALA L 173 SHEET 3 AF5 4 VAL L 211 HIS L 218 -1 O ALA L 213 N LYS L 169 SHEET 4 AF5 4 VAL L 225 ASN L 230 -1 O VAL L 225 N VAL L 216 SHEET 1 AF6 4 GLN M 3 SER M 7 0 SHEET 2 AF6 4 LEU M 19 SER M 26 -1 O THR M 24 N VAL M 5 SHEET 3 AF6 4 SER M 86 MET M 91 -1 O MET M 91 N LEU M 19 SHEET 4 AF6 4 PHE M 76 ASP M 81 -1 N THR M 77 O GLN M 90 SHEET 1 AF7 6 GLY M 11 VAL M 13 0 SHEET 2 AF7 6 THR M 122 VAL M 126 1 O THR M 125 N GLY M 11 SHEET 3 AF7 6 ALA M 100 PRO M 107 -1 N TYR M 102 O THR M 122 SHEET 4 AF7 6 MET M 39 GLN M 44 -1 N ILE M 42 O TYR M 103 SHEET 5 AF7 6 LEU M 50 ILE M 56 -1 O GLU M 51 N ARG M 43 SHEET 6 AF7 6 ILE M 65 TYR M 67 -1 O SER M 66 N TYR M 55 SHEET 1 AF8 4 GLY M 11 VAL M 13 0 SHEET 2 AF8 4 THR M 122 VAL M 126 1 O THR M 125 N GLY M 11 SHEET 3 AF8 4 ALA M 100 PRO M 107 -1 N TYR M 102 O THR M 122 SHEET 4 AF8 4 GLU M 115 TRP M 118 -1 O LEU M 116 N ARG M 106 SHEET 1 AF9 4 SER M 135 LEU M 139 0 SHEET 2 AF9 4 THR M 150 TYR M 160 -1 O LEU M 156 N PHE M 137 SHEET 3 AF9 4 TYR M 191 PRO M 200 -1 O VAL M 197 N LEU M 153 SHEET 4 AF9 4 VAL M 178 THR M 180 -1 N HIS M 179 O VAL M 196 SHEET 1 AG1 4 SER M 135 LEU M 139 0 SHEET 2 AG1 4 THR M 150 TYR M 160 -1 O LEU M 156 N PHE M 137 SHEET 3 AG1 4 TYR M 191 PRO M 200 -1 O VAL M 197 N LEU M 153 SHEET 4 AG1 4 VAL M 184 LEU M 185 -1 N VAL M 184 O SER M 192 SHEET 1 AG2 3 THR M 166 TRP M 169 0 SHEET 2 AG2 3 CYS M 211 HIS M 215 -1 O ASN M 214 N THR M 166 SHEET 3 AG2 3 THR M 220 VAL M 222 -1 O THR M 220 N HIS M 215 SHEET 1 AG3 4 MET N 4 SER N 7 0 SHEET 2 AG3 4 VAL N 19 ALA N 25 -1 O ARG N 24 N THR N 5 SHEET 3 AG3 4 ASP N 86 ILE N 91 -1 O LEU N 89 N ILE N 21 SHEET 4 AG3 4 PHE N 76 GLY N 80 -1 N ARG N 77 O THR N 90 SHEET 1 AG4 6 SER N 10 ALA N 13 0 SHEET 2 AG4 6 THR N 122 ILE N 126 1 O GLU N 125 N LEU N 11 SHEET 3 AG4 6 THR N 101 GLN N 106 -1 N TYR N 102 O THR N 122 SHEET 4 AG4 6 LEU N 39 GLN N 44 -1 N ASN N 40 O HIS N 105 SHEET 5 AG4 6 ASN N 51 TYR N 55 -1 O ASN N 51 N GLN N 43 SHEET 6 AG4 6 SER N 66 LEU N 67 -1 O SER N 66 N TYR N 55 SHEET 1 AG5 4 SER N 10 ALA N 13 0 SHEET 2 AG5 4 THR N 122 ILE N 126 1 O GLU N 125 N LEU N 11 SHEET 3 AG5 4 THR N 101 GLN N 106 -1 N TYR N 102 O THR N 122 SHEET 4 AG5 4 THR N 117 PHE N 118 -1 O THR N 117 N GLN N 106 SHEET 1 AG6 4 SER N 134 PHE N 138 0 SHEET 2 AG6 4 THR N 149 PHE N 159 -1 O LEU N 155 N PHE N 136 SHEET 3 AG6 4 TYR N 193 SER N 202 -1 O LEU N 201 N ALA N 150 SHEET 4 AG6 4 SER N 179 VAL N 183 -1 N SER N 182 O SER N 196 SHEET 1 AG7 4 ALA N 173 LEU N 174 0 SHEET 2 AG7 4 LYS N 165 VAL N 170 -1 N VAL N 170 O ALA N 173 SHEET 3 AG7 4 VAL N 211 THR N 217 -1 O GLU N 215 N GLN N 167 SHEET 4 AG7 4 VAL N 225 ASN N 230 -1 O VAL N 225 N VAL N 216 SHEET 1 AG8 4 GLN P 3 SER P 7 0 SHEET 2 AG8 4 LEU P 19 SER P 26 -1 O SER P 22 N SER P 7 SHEET 3 AG8 4 SER P 86 MET P 91 -1 O MET P 91 N LEU P 19 SHEET 4 AG8 4 PHE P 76 ASP P 81 -1 N SER P 79 O TYR P 88 SHEET 1 AG9 6 VAL P 12 VAL P 13 0 SHEET 2 AG9 6 THR P 122 VAL P 126 1 O THR P 125 N VAL P 13 SHEET 3 AG9 6 ALA P 100 ASP P 107 -1 N TYR P 102 O THR P 122 SHEET 4 AG9 6 MET P 39 SER P 45 -1 N VAL P 42 O PHE P 103 SHEET 5 AG9 6 GLY P 49 ILE P 56 -1 O GLU P 51 N ARG P 43 SHEET 6 AG9 6 THR P 65 TYR P 67 -1 O GLU P 66 N LEU P 55 SHEET 1 AH1 4 VAL P 12 VAL P 13 0 SHEET 2 AH1 4 THR P 122 VAL P 126 1 O THR P 125 N VAL P 13 SHEET 3 AH1 4 ALA P 100 ASP P 107 -1 N TYR P 102 O THR P 122 SHEET 4 AH1 4 PHE P 115 TRP P 118 -1 O SER P 117 N LYS P 106 SHEET 1 AH2 4 SER P 135 LEU P 139 0 SHEET 2 AH2 4 THR P 150 TYR P 160 -1 O LYS P 158 N SER P 135 SHEET 3 AH2 4 TYR P 191 PRO P 200 -1 O LEU P 193 N VAL P 157 SHEET 4 AH2 4 VAL P 178 THR P 180 -1 N HIS P 179 O VAL P 196 SHEET 1 AH3 4 SER P 135 LEU P 139 0 SHEET 2 AH3 4 THR P 150 TYR P 160 -1 O LYS P 158 N SER P 135 SHEET 3 AH3 4 TYR P 191 PRO P 200 -1 O LEU P 193 N VAL P 157 SHEET 4 AH3 4 VAL P 184 LEU P 185 -1 N VAL P 184 O SER P 192 SHEET 1 AH4 3 THR P 166 TRP P 169 0 SHEET 2 AH4 3 TYR P 209 HIS P 215 -1 O ASN P 212 N SER P 168 SHEET 3 AH4 3 THR P 220 VAL P 226 -1 O VAL P 222 N VAL P 213 SHEET 1 AH5 4 MET Q 4 SER Q 7 0 SHEET 2 AH5 4 ALA Q 19 SER Q 25 -1 O ARG Q 24 N THR Q 5 SHEET 3 AH5 4 ASP Q 86 ILE Q 91 -1 O PHE Q 87 N CYS Q 23 SHEET 4 AH5 4 PHE Q 76 SER Q 83 -1 N SER Q 77 O LYS Q 90 SHEET 1 AH6 6 SER Q 10 VAL Q 13 0 SHEET 2 AH6 6 THR Q 122 ILE Q 126 1 O LYS Q 123 N LEU Q 11 SHEET 3 AH6 6 GLY Q 100 GLN Q 106 -1 N GLY Q 100 O VAL Q 124 SHEET 4 AH6 6 LEU Q 39 GLN Q 44 -1 N TYR Q 42 O TYR Q 103 SHEET 5 AH6 6 PRO Q 50 TYR Q 55 -1 O ILE Q 54 N TRP Q 41 SHEET 6 AH6 6 LYS Q 66 ARG Q 67 -1 O LYS Q 66 N TYR Q 55 SHEET 1 AH7 4 SER Q 10 VAL Q 13 0 SHEET 2 AH7 4 THR Q 122 ILE Q 126 1 O LYS Q 123 N LEU Q 11 SHEET 3 AH7 4 GLY Q 100 GLN Q 106 -1 N GLY Q 100 O VAL Q 124 SHEET 4 AH7 4 THR Q 117 PHE Q 118 -1 O THR Q 117 N GLN Q 106 SHEET 1 AH8 4 SER Q 134 PHE Q 138 0 SHEET 2 AH8 4 THR Q 149 PHE Q 159 -1 O LEU Q 155 N PHE Q 136 SHEET 3 AH8 4 TYR Q 193 SER Q 202 -1 O LEU Q 201 N ALA Q 150 SHEET 4 AH8 4 SER Q 179 VAL Q 183 -1 N GLN Q 180 O THR Q 198 SHEET 1 AH9 4 ALA Q 173 LEU Q 174 0 SHEET 2 AH9 4 LYS Q 165 VAL Q 170 -1 N VAL Q 170 O ALA Q 173 SHEET 3 AH9 4 VAL Q 211 THR Q 217 -1 O GLU Q 215 N GLN Q 167 SHEET 4 AH9 4 VAL Q 225 ASN Q 230 -1 O VAL Q 225 N VAL Q 216 SHEET 1 AI1 4 GLN R 3 SER R 7 0 SHEET 2 AI1 4 LEU R 19 SER R 26 -1 O THR R 24 N VAL R 5 SHEET 3 AI1 4 SER R 86 MET R 91 -1 O MET R 91 N LEU R 19 SHEET 4 AI1 4 PHE R 76 ASP R 81 -1 N SER R 79 O TYR R 88 SHEET 1 AI2 6 GLY R 11 VAL R 13 0 SHEET 2 AI2 6 THR R 122 VAL R 126 1 O THR R 125 N GLY R 11 SHEET 3 AI2 6 ALA R 100 PRO R 107 -1 N TYR R 102 O THR R 122 SHEET 4 AI2 6 MET R 39 GLN R 44 -1 N ILE R 42 O TYR R 103 SHEET 5 AI2 6 LEU R 50 ILE R 56 -1 O GLU R 51 N ARG R 43 SHEET 6 AI2 6 ILE R 65 TYR R 67 -1 O SER R 66 N TYR R 55 SHEET 1 AI3 4 GLY R 11 VAL R 13 0 SHEET 2 AI3 4 THR R 122 VAL R 126 1 O THR R 125 N GLY R 11 SHEET 3 AI3 4 ALA R 100 PRO R 107 -1 N TYR R 102 O THR R 122 SHEET 4 AI3 4 GLU R 115 TRP R 118 -1 O ASP R 117 N ARG R 106 SHEET 1 AI4 4 SER R 135 LEU R 139 0 SHEET 2 AI4 4 THR R 150 TYR R 160 -1 O LEU R 156 N PHE R 137 SHEET 3 AI4 4 TYR R 191 PRO R 200 -1 O TYR R 191 N TYR R 160 SHEET 4 AI4 4 VAL R 178 THR R 180 -1 N HIS R 179 O VAL R 196 SHEET 1 AI5 4 SER R 135 LEU R 139 0 SHEET 2 AI5 4 THR R 150 TYR R 160 -1 O LEU R 156 N PHE R 137 SHEET 3 AI5 4 TYR R 191 PRO R 200 -1 O TYR R 191 N TYR R 160 SHEET 4 AI5 4 VAL R 184 LEU R 185 -1 N VAL R 184 O SER R 192 SHEET 1 AI6 3 THR R 166 TRP R 169 0 SHEET 2 AI6 3 ILE R 210 HIS R 215 -1 O ASN R 214 N THR R 166 SHEET 3 AI6 3 THR R 220 ARG R 225 -1 O VAL R 222 N VAL R 213 SHEET 1 AI7 4 MET V 4 SER V 7 0 SHEET 2 AI7 4 VAL V 19 ALA V 25 -1 O ARG V 24 N THR V 5 SHEET 3 AI7 4 ASP V 86 ILE V 91 -1 O LEU V 89 N ILE V 21 SHEET 4 AI7 4 PHE V 76 SER V 83 -1 N ARG V 77 O THR V 90 SHEET 1 AI8 6 SER V 10 ALA V 13 0 SHEET 2 AI8 6 THR V 122 ILE V 126 1 O GLU V 125 N LEU V 11 SHEET 3 AI8 6 THR V 101 GLN V 106 -1 N TYR V 102 O THR V 122 SHEET 4 AI8 6 LEU V 39 GLN V 44 -1 N ASN V 40 O HIS V 105 SHEET 5 AI8 6 ASN V 51 TYR V 55 -1 O LEU V 53 N TRP V 41 SHEET 6 AI8 6 SER V 66 LEU V 67 -1 O SER V 66 N TYR V 55 SHEET 1 AI9 4 SER V 10 ALA V 13 0 SHEET 2 AI9 4 THR V 122 ILE V 126 1 O GLU V 125 N LEU V 11 SHEET 3 AI9 4 THR V 101 GLN V 106 -1 N TYR V 102 O THR V 122 SHEET 4 AI9 4 THR V 117 PHE V 118 -1 O THR V 117 N GLN V 106 SHEET 1 AJ1 4 SER V 134 PHE V 138 0 SHEET 2 AJ1 4 THR V 149 PHE V 159 -1 O LEU V 155 N PHE V 136 SHEET 3 AJ1 4 TYR V 193 SER V 202 -1 O TYR V 193 N PHE V 159 SHEET 4 AJ1 4 SER V 179 VAL V 183 -1 N SER V 182 O SER V 196 SHEET 1 AJ2 4 ALA V 173 LEU V 174 0 SHEET 2 AJ2 4 LYS V 165 VAL V 170 -1 N VAL V 170 O ALA V 173 SHEET 3 AJ2 4 VAL V 211 THR V 217 -1 O GLU V 215 N GLN V 167 SHEET 4 AJ2 4 VAL V 225 ASN V 230 -1 O VAL V 225 N VAL V 216 SSBOND 1 CYS A 23 CYS A 104 1555 1555 2.05 SSBOND 2 CYS B 23 CYS B 104 1555 1555 2.06 SSBOND 3 CYS C 23 CYS C 104 1555 1555 2.04 SSBOND 4 CYS C 155 CYS C 211 1555 1555 2.04 SSBOND 5 CYS D 23 CYS D 104 1555 1555 2.07 SSBOND 6 CYS D 154 CYS D 214 1555 1555 2.03 SSBOND 7 CYS E 45 CYS E 91 1555 1555 2.05 SSBOND 8 CYS E 92 CYS E 140 1555 1555 2.05 SSBOND 9 CYS E 106 CYS E 148 1555 1555 2.05 SSBOND 10 CYS F 23 CYS F 104 1555 1555 2.05 SSBOND 11 CYS F 155 CYS F 211 1555 1555 2.03 SSBOND 12 CYS G 23 CYS G 104 1555 1555 2.07 SSBOND 13 CYS H 23 CYS H 104 1555 1555 2.03 SSBOND 14 CYS H 155 CYS H 211 1555 1555 2.03 SSBOND 15 CYS I 23 CYS I 104 1555 1555 2.05 SSBOND 16 CYS I 154 CYS I 214 1555 1555 2.06 SSBOND 17 CYS J 33 CYS J 104 1555 1555 2.06 SSBOND 18 CYS J 45 CYS J 91 1555 1555 2.05 SSBOND 19 CYS J 92 CYS J 140 1555 1555 2.04 SSBOND 20 CYS J 106 CYS J 148 1555 1555 2.05 SSBOND 21 CYS K 23 CYS K 104 1555 1555 2.05 SSBOND 22 CYS K 155 CYS K 211 1555 1555 2.04 SSBOND 23 CYS L 23 CYS L 104 1555 1555 2.08 SSBOND 24 CYS L 154 CYS L 214 1555 1555 2.04 SSBOND 25 CYS M 23 CYS M 104 1555 1555 2.04 SSBOND 26 CYS M 155 CYS M 211 1555 1555 2.03 SSBOND 27 CYS N 23 CYS N 104 1555 1555 2.06 SSBOND 28 CYS N 154 CYS N 214 1555 1555 2.06 SSBOND 29 CYS O 33 CYS O 104 1555 1555 2.05 SSBOND 30 CYS O 45 CYS O 91 1555 1555 2.05 SSBOND 31 CYS O 92 CYS O 140 1555 1555 2.04 SSBOND 32 CYS O 106 CYS O 148 1555 1555 2.06 SSBOND 33 CYS P 23 CYS P 104 1555 1555 2.06 SSBOND 34 CYS P 155 CYS P 211 1555 1555 2.04 SSBOND 35 CYS Q 23 CYS Q 104 1555 1555 2.06 SSBOND 36 CYS Q 154 CYS Q 214 1555 1555 2.05 SSBOND 37 CYS R 23 CYS R 104 1555 1555 2.05 SSBOND 38 CYS R 155 CYS R 211 1555 1555 2.04 SSBOND 39 CYS V 23 CYS V 104 1555 1555 2.06 SSBOND 40 CYS V 154 CYS V 214 1555 1555 2.06 SSBOND 41 CYS T 33 CYS T 104 1555 1555 2.07 SSBOND 42 CYS T 45 CYS T 91 1555 1555 2.05 SSBOND 43 CYS T 92 CYS T 140 1555 1555 2.03 SSBOND 44 CYS T 106 CYS T 148 1555 1555 2.06 CISPEP 1 SER B 7 PRO B 8 0 -0.54 CISPEP 2 PHE C 161 PRO C 162 0 -5.68 CISPEP 3 GLU C 163 PRO C 164 0 -3.66 CISPEP 4 SER D 7 PRO D 8 0 -12.53 CISPEP 5 ALA D 114 PRO D 115 0 2.30 CISPEP 6 TYR D 160 PRO D 161 0 1.56 CISPEP 7 PHE F 161 PRO F 162 0 -6.53 CISPEP 8 GLU F 163 PRO F 164 0 1.61 CISPEP 9 SER G 7 PRO G 8 0 -8.09 CISPEP 10 TYR G 160 PRO G 161 0 2.83 CISPEP 11 PHE H 161 PRO H 162 0 -5.35 CISPEP 12 GLU H 163 PRO H 164 0 -2.79 CISPEP 13 SER I 7 PRO I 8 0 -12.07 CISPEP 14 ALA I 114 PRO I 115 0 2.17 CISPEP 15 TYR I 160 PRO I 161 0 1.78 CISPEP 16 PHE K 161 PRO K 162 0 -6.28 CISPEP 17 GLU K 163 PRO K 164 0 2.05 CISPEP 18 SER L 7 PRO L 8 0 -2.08 CISPEP 19 TYR L 160 PRO L 161 0 5.25 CISPEP 20 PHE M 161 PRO M 162 0 -6.08 CISPEP 21 GLU M 163 PRO M 164 0 -2.84 CISPEP 22 SER N 7 PRO N 8 0 -12.87 CISPEP 23 ALA N 114 PRO N 115 0 2.84 CISPEP 24 TYR N 160 PRO N 161 0 1.31 CISPEP 25 PHE P 161 PRO P 162 0 -6.68 CISPEP 26 GLU P 163 PRO P 164 0 1.96 CISPEP 27 SER Q 7 PRO Q 8 0 -2.91 CISPEP 28 TYR Q 160 PRO Q 161 0 5.53 CISPEP 29 PHE R 161 PRO R 162 0 -5.36 CISPEP 30 GLU R 163 PRO R 164 0 -3.03 CISPEP 31 SER V 7 PRO V 8 0 -12.27 CISPEP 32 ALA V 114 PRO V 115 0 2.52 CISPEP 33 TYR V 160 PRO V 161 0 1.51 CRYST1 90.906 165.009 164.642 90.00 105.93 90.00 P 1 21 1 8 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 0.011000 0.000000 0.003140 0.00000 SCALE2 0.000000 0.006060 0.000000 0.00000 SCALE3 0.000000 0.000000 0.006316 0.00000