HEADER ANTIVIRAL PROTEIN 27-AUG-22 8GPU TITLE YFV_E_YD6FAB_PREFUSION COMPND MOL_ID: 1; COMPND 2 MOLECULE: ENVELOPE PROTEIN; COMPND 3 CHAIN: A, E, B, I, M, P; COMPND 4 ENGINEERED: YES; COMPND 5 MOL_ID: 2; COMPND 6 MOLECULE: YD6FAB_H; COMPND 7 CHAIN: H, F, C, J, N, Q; COMPND 8 ENGINEERED: YES; COMPND 9 MOL_ID: 3; COMPND 10 MOLECULE: YD6FAB_L; COMPND 11 CHAIN: L, G, D, K, O, R; COMPND 12 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: YELLOW FEVER VIRUS; SOURCE 3 ORGANISM_TAXID: 11089; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 5 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 6 MOL_ID: 2; SOURCE 7 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 8 ORGANISM_TAXID: 9606; SOURCE 9 EXPRESSION_SYSTEM: HOMO SAPIENS; SOURCE 10 EXPRESSION_SYSTEM_TAXID: 9606; SOURCE 11 MOL_ID: 3; SOURCE 12 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 13 ORGANISM_TAXID: 9606; SOURCE 14 EXPRESSION_SYSTEM: HOMO SAPIENS; SOURCE 15 EXPRESSION_SYSTEM_TAXID: 9606 KEYWDS YELLOW FEVER VIRUS, NEUTRALIZING ANTIBODY, ANTIVIRAL PROTEIN, HUMAN KEYWDS 2 ANTIBODY EXPDTA X-RAY DIFFRACTION AUTHOR Y.LI,L.WU,J.QI,J.YAN,G.F.GAO JRNL AUTH Y.LI,Z.CHEN,L.WU,L.DAI,J.QI,Y.CHAI,S.LI,Q.WANG,Z.TONG,S.MA, JRNL AUTH 2 X.DUAN,S.REN,R.SONG,M.LIANG,W.LIU,J.YAN,G.F.GAO JRNL TITL A NEUTRALIZING-PROTECTIVE SUPERSITE OF HUMAN MONOCLONAL JRNL TITL 2 ANTIBODIES FOR YELLOW FEVER VIRUS. JRNL REF INNOVATION (N Y) V. 3 00323 2022 JRNL REFN ISSN 2666-6758 JRNL PMID 36199277 JRNL DOI 10.1016/J.XINN.2022.100323 REMARK 2 REMARK 2 RESOLUTION. 2.79 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PHENIX 1.19_4092 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) : 2.79 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 42.57 REMARK 3 MIN(FOBS/SIGMA_FOBS) : 1.350 REMARK 3 COMPLETENESS FOR RANGE (%) : 85.4 REMARK 3 NUMBER OF REFLECTIONS : 162984 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 R VALUE (WORKING + TEST SET) : 0.246 REMARK 3 R VALUE (WORKING SET) : 0.244 REMARK 3 FREE R VALUE : 0.279 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.110 REMARK 3 FREE R VALUE TEST SET COUNT : 8336 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 42.5700 - 8.6600 0.99 6366 276 0.2154 0.2517 REMARK 3 2 8.6600 - 6.8800 1.00 6154 340 0.2222 0.2437 REMARK 3 3 6.8800 - 6.0200 1.00 6142 323 0.2396 0.2679 REMARK 3 4 6.0200 - 5.4700 1.00 6082 321 0.2131 0.2667 REMARK 3 5 5.4700 - 5.0800 1.00 6118 302 0.2057 0.2309 REMARK 3 6 5.0800 - 4.7800 1.00 6059 334 0.1862 0.2186 REMARK 3 7 4.7800 - 4.5400 1.00 6072 330 0.1862 0.2182 REMARK 3 8 4.5400 - 4.3400 1.00 6034 311 0.1896 0.2048 REMARK 3 9 4.3400 - 4.1700 1.00 6048 333 0.2063 0.2293 REMARK 3 10 4.1700 - 4.0300 1.00 6019 317 0.2232 0.2637 REMARK 3 11 4.0300 - 3.9000 1.00 6039 332 0.2350 0.2523 REMARK 3 12 3.9000 - 3.7900 1.00 6013 328 0.2449 0.2824 REMARK 3 13 3.7900 - 3.6900 1.00 6039 324 0.2534 0.2885 REMARK 3 14 3.6900 - 3.6000 1.00 6014 320 0.2766 0.3118 REMARK 3 15 3.6000 - 3.5200 1.00 6045 323 0.2755 0.3272 REMARK 3 16 3.5200 - 3.4500 1.00 6004 313 0.2732 0.3132 REMARK 3 17 3.4500 - 3.3800 1.00 6029 316 0.2822 0.3288 REMARK 3 18 3.3800 - 3.3100 1.00 5908 374 0.2965 0.3384 REMARK 3 19 3.3100 - 3.2500 0.99 5970 315 0.3164 0.3762 REMARK 3 20 3.2500 - 3.2000 0.97 5800 332 0.3178 0.3705 REMARK 3 21 3.2000 - 3.1500 0.92 5513 304 0.3309 0.3559 REMARK 3 22 3.1500 - 3.1000 0.84 5067 284 0.3298 0.3390 REMARK 3 23 3.1000 - 3.0500 0.75 4471 253 0.3259 0.3950 REMARK 3 24 3.0500 - 3.0100 0.68 4086 215 0.3238 0.3693 REMARK 3 25 3.0100 - 2.9700 0.62 3700 214 0.3339 0.3742 REMARK 3 26 2.9700 - 2.9300 0.54 3229 204 0.3356 0.3365 REMARK 3 27 2.9300 - 2.8900 0.45 2677 138 0.3320 0.3739 REMARK 3 28 2.8900 - 2.8600 0.36 2142 108 0.3512 0.3537 REMARK 3 29 2.8600 - 2.8300 0.29 1763 91 0.3454 0.3414 REMARK 3 30 2.8300 - 2.7900 0.18 1045 61 0.3591 0.3678 REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : FLAT BULK SOLVENT MODEL REMARK 3 SOLVENT RADIUS : 1.11 REMARK 3 SHRINKAGE RADIUS : 0.90 REMARK 3 K_SOL : NULL REMARK 3 B_SOL : NULL REMARK 3 REMARK 3 ERROR ESTIMATES. REMARK 3 COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED) : 0.377 REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 30.446 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 49.92 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 70.72 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 : 0.004 37965 REMARK 3 ANGLE : 0.780 51642 REMARK 3 CHIRALITY : 0.051 5865 REMARK 3 PLANARITY : 0.006 6601 REMARK 3 DIHEDRAL : 15.511 13514 REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : 201 REMARK 3 TLS GROUP : 1 REMARK 3 SELECTION: CHAIN 'A' AND (RESID 1 THROUGH 26 ) REMARK 3 ORIGIN FOR THE GROUP (A): -40.8649 -81.6351 -0.2957 REMARK 3 T TENSOR REMARK 3 T11: 0.2295 T22: 0.4815 REMARK 3 T33: 0.4157 T12: 0.0385 REMARK 3 T13: -0.0001 T23: -0.0078 REMARK 3 L TENSOR REMARK 3 L11: 2.4088 L22: 3.0496 REMARK 3 L33: 1.4295 L12: -0.7558 REMARK 3 L13: -1.0754 L23: 0.0077 REMARK 3 S TENSOR REMARK 3 S11: -0.0352 S12: 0.2276 S13: -0.1911 REMARK 3 S21: -0.3730 S22: -0.1664 S23: 0.5522 REMARK 3 S31: 0.0200 S32: -0.2681 S33: 0.0204 REMARK 3 TLS GROUP : 2 REMARK 3 SELECTION: CHAIN 'A' AND (RESID 27 THROUGH 167 ) REMARK 3 ORIGIN FOR THE GROUP (A): -31.5957 -70.6009 34.8190 REMARK 3 T TENSOR REMARK 3 T11: 0.2310 T22: 0.2568 REMARK 3 T33: 0.2773 T12: 0.1459 REMARK 3 T13: 0.0359 T23: -0.0168 REMARK 3 L TENSOR REMARK 3 L11: 0.3773 L22: 0.0345 REMARK 3 L33: 1.3996 L12: -0.1387 REMARK 3 L13: 0.1267 L23: 0.0434 REMARK 3 S TENSOR REMARK 3 S11: -0.0331 S12: 0.0256 S13: 0.0316 REMARK 3 S21: -0.0319 S22: -0.0422 S23: -0.0425 REMARK 3 S31: 0.0274 S32: -0.2288 S33: 0.0380 REMARK 3 TLS GROUP : 3 REMARK 3 SELECTION: CHAIN 'A' AND (RESID 168 THROUGH 201 ) REMARK 3 ORIGIN FOR THE GROUP (A): -39.5189 -71.3104 13.0705 REMARK 3 T TENSOR REMARK 3 T11: 0.4018 T22: 0.4722 REMARK 3 T33: 0.3806 T12: 0.0975 REMARK 3 T13: -0.0295 T23: -0.0169 REMARK 3 L TENSOR REMARK 3 L11: 0.3579 L22: 0.0386 REMARK 3 L33: 4.3351 L12: -0.0939 REMARK 3 L13: 1.2033 L23: -0.2364 REMARK 3 S TENSOR REMARK 3 S11: 0.2629 S12: 0.2266 S13: 0.0558 REMARK 3 S21: -0.1458 S22: -0.1418 S23: -0.0616 REMARK 3 S31: 0.1386 S32: -0.3759 S33: -0.1010 REMARK 3 TLS GROUP : 4 REMARK 3 SELECTION: CHAIN 'A' AND (RESID 202 THROUGH 243 ) REMARK 3 ORIGIN FOR THE GROUP (A): -32.1950 -73.8040 48.8010 REMARK 3 T TENSOR REMARK 3 T11: 0.3230 T22: 0.2549 REMARK 3 T33: 0.2577 T12: 0.0695 REMARK 3 T13: 0.0700 T23: -0.0510 REMARK 3 L TENSOR REMARK 3 L11: 0.5845 L22: 0.8878 REMARK 3 L33: 2.1646 L12: 0.3295 REMARK 3 L13: 0.0652 L23: 0.7114 REMARK 3 S TENSOR REMARK 3 S11: 0.0188 S12: -0.0656 S13: -0.0895 REMARK 3 S21: 0.0932 S22: -0.0862 S23: 0.1224 REMARK 3 S31: 0.0428 S32: -0.3443 S33: 0.0603 REMARK 3 TLS GROUP : 5 REMARK 3 SELECTION: CHAIN 'A' AND (RESID 244 THROUGH 296 ) REMARK 3 ORIGIN FOR THE GROUP (A): -33.4972 -74.5903 18.7729 REMARK 3 T TENSOR REMARK 3 T11: 0.3593 T22: 0.3624 REMARK 3 T33: 0.2862 T12: 0.2841 REMARK 3 T13: 0.0052 T23: -0.0722 REMARK 3 L TENSOR REMARK 3 L11: 0.6897 L22: 0.2154 REMARK 3 L33: 2.9139 L12: -0.0403 REMARK 3 L13: 0.7715 L23: -0.3399 REMARK 3 S TENSOR REMARK 3 S11: -0.0935 S12: 0.2801 S13: 0.0237 REMARK 3 S21: -0.0461 S22: -0.1199 S23: 0.1621 REMARK 3 S31: -0.1411 S32: -0.1513 S33: 0.0825 REMARK 3 TLS GROUP : 6 REMARK 3 SELECTION: CHAIN 'A' AND (RESID 297 THROUGH 392 ) REMARK 3 ORIGIN FOR THE GROUP (A): -27.1653 -86.9018 -17.2366 REMARK 3 T TENSOR REMARK 3 T11: 0.3078 T22: 0.4233 REMARK 3 T33: 0.2152 T12: 0.1002 REMARK 3 T13: 0.0437 T23: -0.0395 REMARK 3 L TENSOR REMARK 3 L11: 1.4215 L22: 1.3447 REMARK 3 L33: 1.5825 L12: -0.1390 REMARK 3 L13: -0.0981 L23: 0.0121 REMARK 3 S TENSOR REMARK 3 S11: 0.1445 S12: 0.5148 S13: -0.0096 REMARK 3 S21: -0.1758 S22: -0.1087 S23: 0.1627 REMARK 3 S31: 0.0020 S32: -0.3667 S33: -0.0328 REMARK 3 TLS GROUP : 7 REMARK 3 SELECTION: CHAIN 'H' AND (RESID 2 THROUGH 32 ) REMARK 3 ORIGIN FOR THE GROUP (A): -7.5644 -53.4834 74.0981 REMARK 3 T TENSOR REMARK 3 T11: 0.4633 T22: 0.6253 REMARK 3 T33: 0.4890 T12: -0.0193 REMARK 3 T13: -0.1848 T23: 0.0151 REMARK 3 L TENSOR REMARK 3 L11: 1.0194 L22: 0.3297 REMARK 3 L33: 0.1775 L12: 0.0077 REMARK 3 L13: -0.0575 L23: 0.1099 REMARK 3 S TENSOR REMARK 3 S11: -0.0326 S12: -0.2249 S13: 0.2369 REMARK 3 S21: 0.2629 S22: -0.1907 S23: -0.3006 REMARK 3 S31: -0.1922 S32: 0.2594 S33: 0.1527 REMARK 3 TLS GROUP : 8 REMARK 3 SELECTION: CHAIN 'H' AND (RESID 33 THROUGH 67 ) REMARK 3 ORIGIN FOR THE GROUP (A): -5.6736 -62.3272 65.8558 REMARK 3 T TENSOR REMARK 3 T11: 0.2141 T22: 0.3945 REMARK 3 T33: 0.4212 T12: 0.0534 REMARK 3 T13: -0.0882 T23: 0.0722 REMARK 3 L TENSOR REMARK 3 L11: 1.1306 L22: 1.7280 REMARK 3 L33: 1.2721 L12: 0.3110 REMARK 3 L13: 0.3112 L23: -0.2215 REMARK 3 S TENSOR REMARK 3 S11: -0.1905 S12: 0.0473 S13: -0.0832 REMARK 3 S21: 0.0639 S22: -0.0198 S23: -0.3300 REMARK 3 S31: 0.0731 S32: 0.3225 S33: 0.1105 REMARK 3 TLS GROUP : 9 REMARK 3 SELECTION: CHAIN 'H' AND (RESID 68 THROUGH 117 ) REMARK 3 ORIGIN FOR THE GROUP (A): -5.0731 -56.5887 69.8901 REMARK 3 T TENSOR REMARK 3 T11: 0.2639 T22: 0.4844 REMARK 3 T33: 0.4246 T12: 0.0308 REMARK 3 T13: -0.1096 T23: 0.0523 REMARK 3 L TENSOR REMARK 3 L11: 0.6104 L22: 0.2469 REMARK 3 L33: 0.4546 L12: 0.3755 REMARK 3 L13: 0.2554 L23: 0.1428 REMARK 3 S TENSOR REMARK 3 S11: -0.1401 S12: -0.2782 S13: 0.1322 REMARK 3 S21: 0.2265 S22: -0.2634 S23: -0.3197 REMARK 3 S31: -0.1624 S32: 0.2825 S33: 0.1815 REMARK 3 TLS GROUP : 10 REMARK 3 SELECTION: CHAIN 'H' AND (RESID 118 THROUGH 128 ) REMARK 3 ORIGIN FOR THE GROUP (A): 24.9199 -39.4971 70.9912 REMARK 3 T TENSOR REMARK 3 T11: 0.9528 T22: 1.0822 REMARK 3 T33: 0.9290 T12: -0.1557 REMARK 3 T13: -0.2101 T23: 0.0064 REMARK 3 L TENSOR REMARK 3 L11: 1.1820 L22: 0.5380 REMARK 3 L33: 1.0500 L12: -0.1711 REMARK 3 L13: 0.4114 L23: 0.6075 REMARK 3 S TENSOR REMARK 3 S11: 0.0017 S12: 0.0810 S13: 0.0781 REMARK 3 S21: -0.0883 S22: 0.0098 S23: -0.1039 REMARK 3 S31: -0.0484 S32: 0.0247 S33: 0.0016 REMARK 3 TLS GROUP : 11 REMARK 3 SELECTION: CHAIN 'H' AND (RESID 129 THROUGH 139 ) REMARK 3 ORIGIN FOR THE GROUP (A): 25.0541 -19.1901 52.7093 REMARK 3 T TENSOR REMARK 3 T11: 1.7447 T22: 1.6749 REMARK 3 T33: 1.6025 T12: 0.0987 REMARK 3 T13: -0.0530 T23: 0.2106 REMARK 3 L TENSOR REMARK 3 L11: 0.0003 L22: 0.0007 REMARK 3 L33: 0.0007 L12: 0.0003 REMARK 3 L13: 0.0000 L23: -0.0008 REMARK 3 S TENSOR REMARK 3 S11: 0.3250 S12: 0.7654 S13: 0.1212 REMARK 3 S21: -0.7016 S22: -0.4299 S23: -0.0728 REMARK 3 S31: 0.2398 S32: 0.5897 S33: 0.1055 REMARK 3 TLS GROUP : 12 REMARK 3 SELECTION: CHAIN 'H' AND (RESID 140 THROUGH 158 ) REMARK 3 ORIGIN FOR THE GROUP (A): 19.6539 -34.5336 68.4124 REMARK 3 T TENSOR REMARK 3 T11: 0.9323 T22: 1.1235 REMARK 3 T33: 1.1081 T12: -0.1141 REMARK 3 T13: -0.4754 T23: 0.1307 REMARK 3 L TENSOR REMARK 3 L11: 2.2172 L22: 0.9606 REMARK 3 L33: 2.0470 L12: -0.1644 REMARK 3 L13: -0.6988 L23: 0.1100 REMARK 3 S TENSOR REMARK 3 S11: -0.0196 S12: -0.0589 S13: 0.2186 REMARK 3 S21: 0.2253 S22: 0.0927 S23: 0.2895 REMARK 3 S31: -0.3169 S32: -0.1634 S33: -0.1040 REMARK 3 TLS GROUP : 13 REMARK 3 SELECTION: CHAIN 'H' AND (RESID 159 THROUGH 170 ) REMARK 3 ORIGIN FOR THE GROUP (A): 15.4389 -23.6021 66.2478 REMARK 3 T TENSOR REMARK 3 T11: 1.0281 T22: 1.1149 REMARK 3 T33: 1.2634 T12: 0.0282 REMARK 3 T13: -0.1444 T23: 0.0341 REMARK 3 L TENSOR REMARK 3 L11: 0.0767 L22: 0.4830 REMARK 3 L33: 0.0043 L12: -0.1896 REMARK 3 L13: 0.0162 L23: -0.0354 REMARK 3 S TENSOR REMARK 3 S11: 0.0788 S12: -0.1346 S13: 0.2601 REMARK 3 S21: -0.0660 S22: -0.0085 S23: 0.1060 REMARK 3 S31: -0.3799 S32: 0.0132 S33: 0.0054 REMARK 3 TLS GROUP : 14 REMARK 3 SELECTION: CHAIN 'H' AND (RESID 171 THROUGH 188 ) REMARK 3 ORIGIN FOR THE GROUP (A): 18.9904 -37.9846 63.4160 REMARK 3 T TENSOR REMARK 3 T11: 0.6268 T22: 0.9374 REMARK 3 T33: 1.1035 T12: -0.1882 REMARK 3 T13: -0.2267 T23: 0.1721 REMARK 3 L TENSOR REMARK 3 L11: 2.2156 L22: 3.3330 REMARK 3 L33: 1.8796 L12: 1.2285 REMARK 3 L13: 0.0519 L23: 0.8410 REMARK 3 S TENSOR REMARK 3 S11: 0.0495 S12: 0.1048 S13: -0.0203 REMARK 3 S21: -0.2467 S22: -0.0417 S23: -0.1614 REMARK 3 S31: -0.0599 S32: 0.1028 S33: 0.0136 REMARK 3 TLS GROUP : 15 REMARK 3 SELECTION: CHAIN 'H' AND (RESID 189 THROUGH 211 ) REMARK 3 ORIGIN FOR THE GROUP (A): 22.4672 -25.8432 71.6398 REMARK 3 T TENSOR REMARK 3 T11: 1.3401 T22: 1.3270 REMARK 3 T33: 1.4128 T12: -0.1698 REMARK 3 T13: -0.2520 T23: 0.0952 REMARK 3 L TENSOR REMARK 3 L11: 0.7604 L22: 0.5267 REMARK 3 L33: 1.1220 L12: -0.5837 REMARK 3 L13: 0.6711 L23: -0.3101 REMARK 3 S TENSOR REMARK 3 S11: -0.0126 S12: 0.0198 S13: 0.1185 REMARK 3 S21: -0.0276 S22: -0.0562 S23: -0.1450 REMARK 3 S31: -0.1943 S32: 0.1529 S33: 0.0578 REMARK 3 TLS GROUP : 16 REMARK 3 SELECTION: CHAIN 'H' AND (RESID 212 THROUGH 217 ) REMARK 3 ORIGIN FOR THE GROUP (A): 29.3443 -24.2091 69.7589 REMARK 3 T TENSOR REMARK 3 T11: 1.4425 T22: 1.4611 REMARK 3 T33: 1.4718 T12: -0.1196 REMARK 3 T13: -0.2275 T23: -0.0371 REMARK 3 L TENSOR REMARK 3 L11: 1.9768 L22: 3.1890 REMARK 3 L33: 1.7900 L12: 2.5106 REMARK 3 L13: -1.8785 L23: -2.3876 REMARK 3 S TENSOR REMARK 3 S11: 0.1118 S12: 0.1002 S13: 0.3472 REMARK 3 S21: 0.0724 S22: 0.1645 S23: 0.3871 REMARK 3 S31: -0.0530 S32: -0.4246 S33: -0.2543 REMARK 3 TLS GROUP : 17 REMARK 3 SELECTION: CHAIN 'L' AND (RESID 1 THROUGH 8 ) REMARK 3 ORIGIN FOR THE GROUP (A): -0.9708 -57.5005 48.0263 REMARK 3 T TENSOR REMARK 3 T11: 0.2799 T22: 0.4776 REMARK 3 T33: 0.6774 T12: 0.1533 REMARK 3 T13: 0.0987 T23: 0.2307 REMARK 3 L TENSOR REMARK 3 L11: 4.1120 L22: 0.6511 REMARK 3 L33: 2.7280 L12: -1.2582 REMARK 3 L13: 0.4410 L23: 0.7095 REMARK 3 S TENSOR REMARK 3 S11: -0.0544 S12: -0.1731 S13: -0.3059 REMARK 3 S21: -0.0202 S22: -0.0137 S23: 0.0164 REMARK 3 S31: 0.3183 S32: 0.1901 S33: 0.0313 REMARK 3 TLS GROUP : 18 REMARK 3 SELECTION: CHAIN 'L' AND (RESID 9 THROUGH 23 ) REMARK 3 ORIGIN FOR THE GROUP (A): -5.7597 -42.4343 42.5418 REMARK 3 T TENSOR REMARK 3 T11: 0.4372 T22: 0.5681 REMARK 3 T33: 0.6837 T12: -0.0072 REMARK 3 T13: -0.0365 T23: 0.2229 REMARK 3 L TENSOR REMARK 3 L11: 1.4859 L22: 0.3217 REMARK 3 L33: 0.6994 L12: -0.6911 REMARK 3 L13: 0.1200 L23: -0.0324 REMARK 3 S TENSOR REMARK 3 S11: -0.0851 S12: 0.1523 S13: 0.2698 REMARK 3 S21: -0.1107 S22: -0.0487 S23: -0.2271 REMARK 3 S31: -0.2092 S32: 0.1207 S33: 0.0556 REMARK 3 TLS GROUP : 19 REMARK 3 SELECTION: CHAIN 'L' AND (RESID 24 THROUGH 34 ) REMARK 3 ORIGIN FOR THE GROUP (A): -11.9649 -63.7583 46.3525 REMARK 3 T TENSOR REMARK 3 T11: 0.3394 T22: 0.4789 REMARK 3 T33: 0.4146 T12: 0.0711 REMARK 3 T13: 0.1133 T23: -0.1029 REMARK 3 L TENSOR REMARK 3 L11: 1.7710 L22: 1.0430 REMARK 3 L33: 2.1868 L12: 1.3586 REMARK 3 L13: -1.9665 L23: -1.5101 REMARK 3 S TENSOR REMARK 3 S11: 0.0216 S12: 0.3486 S13: -0.0775 REMARK 3 S21: -0.4653 S22: 0.0748 S23: -0.4252 REMARK 3 S31: 0.0829 S32: 0.1643 S33: -0.0144 REMARK 3 TLS GROUP : 20 REMARK 3 SELECTION: CHAIN 'L' AND (RESID 35 THROUGH 50 ) REMARK 3 ORIGIN FOR THE GROUP (A): -9.9419 -46.3876 56.4059 REMARK 3 T TENSOR REMARK 3 T11: 0.2563 T22: 0.2801 REMARK 3 T33: 0.5372 T12: 0.0663 REMARK 3 T13: -0.1296 T23: 0.0040 REMARK 3 L TENSOR REMARK 3 L11: 2.0363 L22: 0.8645 REMARK 3 L33: 2.7261 L12: 0.0501 REMARK 3 L13: 0.0991 L23: -0.3416 REMARK 3 S TENSOR REMARK 3 S11: 0.0163 S12: -0.1344 S13: 0.4237 REMARK 3 S21: 0.1393 S22: 0.0816 S23: -0.0895 REMARK 3 S31: -0.3029 S32: 0.0350 S33: 0.0740 REMARK 3 TLS GROUP : 21 REMARK 3 SELECTION: CHAIN 'L' AND (RESID 51 THROUGH 77 ) REMARK 3 ORIGIN FOR THE GROUP (A): -16.5232 -48.8388 46.9210 REMARK 3 T TENSOR REMARK 3 T11: 0.2054 T22: 0.3065 REMARK 3 T33: 0.4949 T12: 0.0562 REMARK 3 T13: -0.0770 T23: 0.1011 REMARK 3 L TENSOR REMARK 3 L11: 1.8500 L22: 0.4032 REMARK 3 L33: 2.6031 L12: 0.6884 REMARK 3 L13: -0.8242 L23: -0.1540 REMARK 3 S TENSOR REMARK 3 S11: -0.0323 S12: 0.3162 S13: 0.0930 REMARK 3 S21: -0.1416 S22: -0.0796 S23: 0.0899 REMARK 3 S31: -0.1100 S32: -0.1545 S33: 0.0396 REMARK 3 TLS GROUP : 22 REMARK 3 SELECTION: CHAIN 'L' AND (RESID 78 THROUGH 93 ) REMARK 3 ORIGIN FOR THE GROUP (A): -8.6791 -44.2655 50.9922 REMARK 3 T TENSOR REMARK 3 T11: 0.3088 T22: 0.3409 REMARK 3 T33: 0.5293 T12: 0.0730 REMARK 3 T13: -0.0965 T23: 0.0820 REMARK 3 L TENSOR REMARK 3 L11: 0.6317 L22: 4.1270 REMARK 3 L33: 1.4251 L12: 0.3337 REMARK 3 L13: 0.0768 L23: -2.3170 REMARK 3 S TENSOR REMARK 3 S11: -0.0627 S12: -0.0139 S13: 0.5191 REMARK 3 S21: 0.3367 S22: -0.0391 S23: -0.1244 REMARK 3 S31: -0.2665 S32: 0.0851 S33: 0.0790 REMARK 3 TLS GROUP : 23 REMARK 3 SELECTION: CHAIN 'L' AND (RESID 94 THROUGH 105 ) REMARK 3 ORIGIN FOR THE GROUP (A): -7.9908 -63.2101 55.3129 REMARK 3 T TENSOR REMARK 3 T11: 0.2130 T22: 0.3730 REMARK 3 T33: 0.4139 T12: 0.1941 REMARK 3 T13: -0.0677 T23: -0.0085 REMARK 3 L TENSOR REMARK 3 L11: 2.4812 L22: 0.2268 REMARK 3 L33: 0.8543 L12: 0.0079 REMARK 3 L13: -0.5100 L23: -0.4033 REMARK 3 S TENSOR REMARK 3 S11: -0.0423 S12: 0.0328 S13: -0.1578 REMARK 3 S21: -0.0072 S22: -0.1211 S23: -0.1537 REMARK 3 S31: 0.0548 S32: 0.1006 S33: 0.0173 REMARK 3 TLS GROUP : 24 REMARK 3 SELECTION: CHAIN 'L' AND (RESID 106 THROUGH 113 ) REMARK 3 ORIGIN FOR THE GROUP (A): -1.3633 -36.3837 47.6630 REMARK 3 T TENSOR REMARK 3 T11: 0.4097 T22: 0.4586 REMARK 3 T33: 0.7194 T12: -0.1899 REMARK 3 T13: 0.0277 T23: 0.1894 REMARK 3 L TENSOR REMARK 3 L11: 0.0555 L22: 1.4970 REMARK 3 L33: 0.2428 L12: 0.2833 REMARK 3 L13: -0.0886 L23: -0.5251 REMARK 3 S TENSOR REMARK 3 S11: 0.0385 S12: 0.0261 S13: 0.2202 REMARK 3 S21: 0.2006 S22: -0.0986 S23: -0.1373 REMARK 3 S31: -0.2435 S32: 0.1227 S33: 0.0467 REMARK 3 TLS GROUP : 25 REMARK 3 SELECTION: CHAIN 'L' AND (RESID 114 THROUGH 126 ) REMARK 3 ORIGIN FOR THE GROUP (A): 20.3355 -29.6885 51.2078 REMARK 3 T TENSOR REMARK 3 T11: 0.6846 T22: 0.8536 REMARK 3 T33: 1.1334 T12: -0.1966 REMARK 3 T13: -0.1634 T23: 0.1818 REMARK 3 L TENSOR REMARK 3 L11: 0.3350 L22: 1.0807 REMARK 3 L33: 0.3621 L12: -0.1317 REMARK 3 L13: -0.3422 L23: 0.0408 REMARK 3 S TENSOR REMARK 3 S11: -0.0980 S12: -0.2068 S13: 0.2877 REMARK 3 S21: 0.2061 S22: 0.1147 S23: -0.1857 REMARK 3 S31: -0.1053 S32: 0.1985 S33: 0.1230 REMARK 3 TLS GROUP : 26 REMARK 3 SELECTION: CHAIN 'L' AND (RESID 127 THROUGH 134 ) REMARK 3 ORIGIN FOR THE GROUP (A): 36.1553 -37.4336 65.6104 REMARK 3 T TENSOR REMARK 3 T11: 1.2969 T22: 1.4354 REMARK 3 T33: 1.3474 T12: -0.0850 REMARK 3 T13: -0.1500 T23: 0.0429 REMARK 3 L TENSOR REMARK 3 L11: 0.0004 L22: 0.0001 REMARK 3 L33: 0.0002 L12: 0.0002 REMARK 3 L13: 0.0004 L23: 0.0002 REMARK 3 S TENSOR REMARK 3 S11: -0.0194 S12: 0.1246 S13: 0.4232 REMARK 3 S21: -0.1885 S22: 0.0005 S23: 0.2829 REMARK 3 S31: -0.3813 S32: -0.2034 S33: 0.0197 REMARK 3 TLS GROUP : 27 REMARK 3 SELECTION: CHAIN 'L' AND (RESID 135 THROUGH 149 ) REMARK 3 ORIGIN FOR THE GROUP (A): 16.4737 -33.8462 51.8789 REMARK 3 T TENSOR REMARK 3 T11: 0.6799 T22: 0.7702 REMARK 3 T33: 1.0547 T12: -0.1873 REMARK 3 T13: -0.2955 T23: 0.1909 REMARK 3 L TENSOR REMARK 3 L11: 8.0181 L22: 0.8010 REMARK 3 L33: 2.2894 L12: 0.0348 REMARK 3 L13: 2.7864 L23: 0.4072 REMARK 3 S TENSOR REMARK 3 S11: 0.0511 S12: -0.1009 S13: -0.0409 REMARK 3 S21: 0.0505 S22: 0.0097 S23: -0.1002 REMARK 3 S31: 0.0096 S32: 0.1063 S33: -0.0378 REMARK 3 TLS GROUP : 28 REMARK 3 SELECTION: CHAIN 'L' AND (RESID 150 THROUGH 166 ) REMARK 3 ORIGIN FOR THE GROUP (A): 26.3519 -42.8208 48.2724 REMARK 3 T TENSOR REMARK 3 T11: 0.7279 T22: 1.0454 REMARK 3 T33: 1.0845 T12: -0.0238 REMARK 3 T13: -0.2963 T23: 0.1501 REMARK 3 L TENSOR REMARK 3 L11: 1.9299 L22: 2.3090 REMARK 3 L33: 5.0457 L12: -2.0791 REMARK 3 L13: -0.8518 L23: 0.3496 REMARK 3 S TENSOR REMARK 3 S11: 0.0527 S12: 0.0237 S13: 0.0020 REMARK 3 S21: -0.3175 S22: -0.0467 S23: -0.4181 REMARK 3 S31: 0.0194 S32: 0.5313 S33: -0.0032 REMARK 3 TLS GROUP : 29 REMARK 3 SELECTION: CHAIN 'L' AND (RESID 167 THROUGH 176 ) REMARK 3 ORIGIN FOR THE GROUP (A): 7.4272 -32.1480 55.3987 REMARK 3 T TENSOR REMARK 3 T11: 0.6778 T22: 0.7877 REMARK 3 T33: 1.0311 T12: -0.0643 REMARK 3 T13: -0.0430 T23: 0.1447 REMARK 3 L TENSOR REMARK 3 L11: 0.0273 L22: 0.0040 REMARK 3 L33: 0.4973 L12: -0.0016 REMARK 3 L13: -0.1082 L23: 0.0120 REMARK 3 S TENSOR REMARK 3 S11: -0.1153 S12: -0.2128 S13: 0.4139 REMARK 3 S21: 0.3530 S22: 0.1301 S23: -0.2825 REMARK 3 S31: -0.3746 S32: -0.1022 S33: -0.0087 REMARK 3 TLS GROUP : 30 REMARK 3 SELECTION: CHAIN 'L' AND (RESID 177 THROUGH 185 ) REMARK 3 ORIGIN FOR THE GROUP (A): 20.2565 -38.1938 55.4794 REMARK 3 T TENSOR REMARK 3 T11: 0.7791 T22: 0.9202 REMARK 3 T33: 1.1868 T12: -0.0417 REMARK 3 T13: -0.1455 T23: 0.1955 REMARK 3 L TENSOR REMARK 3 L11: 0.1969 L22: 1.4810 REMARK 3 L33: 1.6357 L12: 0.4966 REMARK 3 L13: -0.1742 L23: 0.1444 REMARK 3 S TENSOR REMARK 3 S11: 0.0728 S12: 0.0450 S13: 0.0952 REMARK 3 S21: -0.1151 S22: -0.0879 S23: 0.0071 REMARK 3 S31: -0.0259 S32: 0.0566 S33: -0.0189 REMARK 3 TLS GROUP : 31 REMARK 3 SELECTION: CHAIN 'L' AND (RESID 186 THROUGH 192 ) REMARK 3 ORIGIN FOR THE GROUP (A): 38.8642 -40.8862 55.2263 REMARK 3 T TENSOR REMARK 3 T11: 0.9194 T22: 1.4061 REMARK 3 T33: 1.1554 T12: 0.1415 REMARK 3 T13: -0.2466 T23: 0.1260 REMARK 3 L TENSOR REMARK 3 L11: 1.4742 L22: 2.0886 REMARK 3 L33: 2.3909 L12: 1.6997 REMARK 3 L13: 1.5817 L23: 2.1225 REMARK 3 S TENSOR REMARK 3 S11: 0.0115 S12: -0.0313 S13: -0.3088 REMARK 3 S21: -0.0418 S22: -0.0047 S23: -0.1485 REMARK 3 S31: 0.3091 S32: 0.1587 S33: 0.0073 REMARK 3 TLS GROUP : 32 REMARK 3 SELECTION: CHAIN 'L' AND (RESID 193 THROUGH 214 ) REMARK 3 ORIGIN FOR THE GROUP (A): 26.6476 -34.3353 45.9150 REMARK 3 T TENSOR REMARK 3 T11: 0.5340 T22: 0.7816 REMARK 3 T33: 1.0901 T12: -0.0213 REMARK 3 T13: -0.1672 T23: 0.1586 REMARK 3 L TENSOR REMARK 3 L11: 0.3110 L22: 1.0177 REMARK 3 L33: 0.8251 L12: 0.0167 REMARK 3 L13: -0.4975 L23: 0.1444 REMARK 3 S TENSOR REMARK 3 S11: 0.0130 S12: -0.0488 S13: -0.1816 REMARK 3 S21: 0.0583 S22: -0.1687 S23: -0.2225 REMARK 3 S31: 0.0813 S32: 0.3035 S33: 0.0287 REMARK 3 TLS GROUP : 33 REMARK 3 SELECTION: CHAIN 'E' AND (RESID 1 THROUGH 26 ) REMARK 3 ORIGIN FOR THE GROUP (A): -14.0685-108.5183 -28.7555 REMARK 3 T TENSOR REMARK 3 T11: 0.5291 T22: 0.3321 REMARK 3 T33: 0.3608 T12: 0.1143 REMARK 3 T13: -0.1437 T23: -0.0724 REMARK 3 L TENSOR REMARK 3 L11: 1.4658 L22: 3.1953 REMARK 3 L33: 0.4028 L12: -0.6890 REMARK 3 L13: -0.7637 L23: 0.2506 REMARK 3 S TENSOR REMARK 3 S11: 0.0763 S12: 0.3193 S13: -0.0116 REMARK 3 S21: -0.4489 S22: -0.0941 S23: 0.4477 REMARK 3 S31: -0.0469 S32: -0.2522 S33: -0.0486 REMARK 3 TLS GROUP : 34 REMARK 3 SELECTION: CHAIN 'E' AND (RESID 27 THROUGH 143 ) REMARK 3 ORIGIN FOR THE GROUP (A): -2.8547-104.1809 14.1545 REMARK 3 T TENSOR REMARK 3 T11: 0.4712 T22: 0.1663 REMARK 3 T33: 0.2525 T12: 0.2692 REMARK 3 T13: -0.0216 T23: -0.0211 REMARK 3 L TENSOR REMARK 3 L11: 0.0387 L22: 0.5287 REMARK 3 L33: 0.6656 L12: -0.0148 REMARK 3 L13: 0.0214 L23: -0.1683 REMARK 3 S TENSOR REMARK 3 S11: -0.0433 S12: 0.0227 S13: 0.0144 REMARK 3 S21: 0.0356 S22: 0.0130 S23: -0.0684 REMARK 3 S31: 0.1096 S32: -0.0802 S33: -0.0356 REMARK 3 TLS GROUP : 35 REMARK 3 SELECTION: CHAIN 'E' AND (RESID 144 THROUGH 200 ) REMARK 3 ORIGIN FOR THE GROUP (A): -5.7278-100.9370 -20.7848 REMARK 3 T TENSOR REMARK 3 T11: 0.6877 T22: 0.2382 REMARK 3 T33: 0.3345 T12: 0.0720 REMARK 3 T13: 0.0481 T23: 0.0151 REMARK 3 L TENSOR REMARK 3 L11: 0.3144 L22: 0.2387 REMARK 3 L33: 1.5277 L12: -0.1782 REMARK 3 L13: 0.2909 L23: 0.0727 REMARK 3 S TENSOR REMARK 3 S11: 0.1493 S12: -0.0545 S13: 0.0791 REMARK 3 S21: -0.3363 S22: -0.0741 S23: -0.2606 REMARK 3 S31: -0.0985 S32: -0.0674 S33: 0.0032 REMARK 3 TLS GROUP : 36 REMARK 3 SELECTION: CHAIN 'E' AND (RESID 201 THROUGH 243 ) REMARK 3 ORIGIN FOR THE GROUP (A): -5.0783-106.6137 19.9559 REMARK 3 T TENSOR REMARK 3 T11: 0.5059 T22: 0.2355 REMARK 3 T33: 0.2290 T12: 0.1427 REMARK 3 T13: 0.0059 T23: -0.0384 REMARK 3 L TENSOR REMARK 3 L11: 0.7831 L22: 0.2705 REMARK 3 L33: 2.9872 L12: 0.3444 REMARK 3 L13: 0.5045 L23: 0.7247 REMARK 3 S TENSOR REMARK 3 S11: 0.0515 S12: 0.0259 S13: 0.0421 REMARK 3 S21: 0.0896 S22: -0.0355 S23: 0.2300 REMARK 3 S31: 0.1131 S32: -0.0599 S33: -0.0261 REMARK 3 TLS GROUP : 37 REMARK 3 SELECTION: CHAIN 'E' AND (RESID 244 THROUGH 272 ) REMARK 3 ORIGIN FOR THE GROUP (A): -0.8906-110.2987 4.7460 REMARK 3 T TENSOR REMARK 3 T11: 0.4631 T22: 0.2264 REMARK 3 T33: 0.3369 T12: 0.2484 REMARK 3 T13: -0.0072 T23: -0.0567 REMARK 3 L TENSOR REMARK 3 L11: 0.9275 L22: 1.6808 REMARK 3 L33: 2.7518 L12: -0.5368 REMARK 3 L13: 0.7367 L23: 0.1964 REMARK 3 S TENSOR REMARK 3 S11: 0.0926 S12: 0.1916 S13: 0.1086 REMARK 3 S21: -0.3493 S22: -0.1456 S23: -0.1135 REMARK 3 S31: -0.0724 S32: 0.0818 S33: 0.1048 REMARK 3 TLS GROUP : 38 REMARK 3 SELECTION: CHAIN 'E' AND (RESID 273 THROUGH 367 ) REMARK 3 ORIGIN FOR THE GROUP (A): -4.3846-112.6720 -40.9799 REMARK 3 T TENSOR REMARK 3 T11: 1.1075 T22: 0.3228 REMARK 3 T33: 0.3111 T12: 0.2082 REMARK 3 T13: 0.0417 T23: -0.0371 REMARK 3 L TENSOR REMARK 3 L11: 0.3813 L22: 0.5523 REMARK 3 L33: 1.1505 L12: -0.3565 REMARK 3 L13: -0.2551 L23: 0.2918 REMARK 3 S TENSOR REMARK 3 S11: 0.1185 S12: 0.2434 S13: 0.0036 REMARK 3 S21: -0.6895 S22: -0.1753 S23: -0.0092 REMARK 3 S31: -0.2314 S32: -0.2250 S33: 0.0507 REMARK 3 TLS GROUP : 39 REMARK 3 SELECTION: CHAIN 'E' AND (RESID 368 THROUGH 392 ) REMARK 3 ORIGIN FOR THE GROUP (A): -8.2984-126.1780 -45.1851 REMARK 3 T TENSOR REMARK 3 T11: 1.0675 T22: 0.5881 REMARK 3 T33: 0.3795 T12: 0.1539 REMARK 3 T13: -0.2332 T23: -0.1571 REMARK 3 L TENSOR REMARK 3 L11: 2.4983 L22: 4.1701 REMARK 3 L33: 1.7487 L12: -0.9875 REMARK 3 L13: 1.7618 L23: 0.6875 REMARK 3 S TENSOR REMARK 3 S11: 0.0571 S12: -0.0170 S13: -0.1169 REMARK 3 S21: -0.1965 S22: -0.1595 S23: 0.0377 REMARK 3 S31: 0.3125 S32: -0.2396 S33: 0.0664 REMARK 3 TLS GROUP : 40 REMARK 3 SELECTION: CHAIN 'F' AND (RESID 2 THROUGH 16 ) REMARK 3 ORIGIN FOR THE GROUP (A): 30.8034-101.5114 49.4003 REMARK 3 T TENSOR REMARK 3 T11: 0.6172 T22: 0.6953 REMARK 3 T33: 0.5853 T12: 0.2256 REMARK 3 T13: -0.2015 T23: 0.1300 REMARK 3 L TENSOR REMARK 3 L11: 0.9478 L22: 0.5737 REMARK 3 L33: 0.7699 L12: 0.0554 REMARK 3 L13: -0.3472 L23: 0.3362 REMARK 3 S TENSOR REMARK 3 S11: -0.0034 S12: -0.0419 S13: 0.0689 REMARK 3 S21: 0.1961 S22: 0.0227 S23: -0.3274 REMARK 3 S31: 0.2622 S32: 0.2522 S33: 0.0397 REMARK 3 TLS GROUP : 41 REMARK 3 SELECTION: CHAIN 'F' AND (RESID 17 THROUGH 32 ) REMARK 3 ORIGIN FOR THE GROUP (A): 17.8867 -98.6568 48.7189 REMARK 3 T TENSOR REMARK 3 T11: 0.7582 T22: 0.4000 REMARK 3 T33: 0.3490 T12: 0.2770 REMARK 3 T13: -0.1514 T23: -0.0708 REMARK 3 L TENSOR REMARK 3 L11: 2.4356 L22: 0.9534 REMARK 3 L33: 1.2702 L12: -0.2446 REMARK 3 L13: 0.3575 L23: -0.1522 REMARK 3 S TENSOR REMARK 3 S11: 0.0260 S12: -0.1060 S13: -0.0071 REMARK 3 S21: 0.2455 S22: -0.0625 S23: -0.2462 REMARK 3 S31: 0.0186 S32: 0.1490 S33: 0.0465 REMARK 3 TLS GROUP : 42 REMARK 3 SELECTION: CHAIN 'F' AND (RESID 33 THROUGH 60 ) REMARK 3 ORIGIN FOR THE GROUP (A): 21.4715-106.4598 39.8732 REMARK 3 T TENSOR REMARK 3 T11: 0.6152 T22: 0.2701 REMARK 3 T33: 0.3926 T12: 0.3382 REMARK 3 T13: -0.0902 T23: 0.0533 REMARK 3 L TENSOR REMARK 3 L11: 0.2974 L22: 0.9620 REMARK 3 L33: 0.1737 L12: 0.0085 REMARK 3 L13: 0.0446 L23: -0.2592 REMARK 3 S TENSOR REMARK 3 S11: 0.0557 S12: 0.0545 S13: -0.0445 REMARK 3 S21: 0.0171 S22: -0.0511 S23: -0.2594 REMARK 3 S31: 0.0741 S32: 0.0966 S33: 0.2816 REMARK 3 TLS GROUP : 43 REMARK 3 SELECTION: CHAIN 'F' AND (RESID 61 THROUGH 68 ) REMARK 3 ORIGIN FOR THE GROUP (A): 25.6547-115.6463 41.9231 REMARK 3 T TENSOR REMARK 3 T11: 0.7245 T22: 0.4633 REMARK 3 T33: 0.7344 T12: 0.3574 REMARK 3 T13: -0.0490 T23: 0.0560 REMARK 3 L TENSOR REMARK 3 L11: 3.4611 L22: 4.9331 REMARK 3 L33: 2.0785 L12: -2.3190 REMARK 3 L13: 1.2046 L23: -3.1750 REMARK 3 S TENSOR REMARK 3 S11: 0.2332 S12: 0.1896 S13: -0.3035 REMARK 3 S21: -0.3250 S22: -0.1053 S23: 0.1305 REMARK 3 S31: 0.3014 S32: 0.0381 S33: -0.1049 REMARK 3 TLS GROUP : 44 REMARK 3 SELECTION: CHAIN 'F' AND (RESID 69 THROUGH 84 ) REMARK 3 ORIGIN FOR THE GROUP (A): 19.3193-104.7541 51.4550 REMARK 3 T TENSOR REMARK 3 T11: 0.6605 T22: 0.4126 REMARK 3 T33: 0.3409 T12: 0.2901 REMARK 3 T13: -0.1360 T23: -0.0661 REMARK 3 L TENSOR REMARK 3 L11: 1.7628 L22: 1.1527 REMARK 3 L33: 2.0781 L12: 1.3211 REMARK 3 L13: 0.1977 L23: -0.4309 REMARK 3 S TENSOR REMARK 3 S11: -0.2077 S12: -0.3658 S13: -0.0622 REMARK 3 S21: 0.3305 S22: 0.0634 S23: -0.2419 REMARK 3 S31: 0.0898 S32: 0.2562 S33: 0.0702 REMARK 3 TLS GROUP : 45 REMARK 3 SELECTION: CHAIN 'F' AND (RESID 85 THROUGH 99 ) REMARK 3 ORIGIN FOR THE GROUP (A): 29.6768-106.1942 42.5227 REMARK 3 T TENSOR REMARK 3 T11: 0.5304 T22: 0.4804 REMARK 3 T33: 0.5904 T12: 0.3265 REMARK 3 T13: -0.1811 T23: 0.0101 REMARK 3 L TENSOR REMARK 3 L11: 0.2854 L22: 0.5481 REMARK 3 L33: 0.3504 L12: 0.1243 REMARK 3 L13: -0.0844 L23: -0.3217 REMARK 3 S TENSOR REMARK 3 S11: 0.0214 S12: -0.0969 S13: -0.2472 REMARK 3 S21: -0.0375 S22: -0.1710 S23: -0.3419 REMARK 3 S31: 0.1879 S32: 0.2687 S33: 0.1024 REMARK 3 TLS GROUP : 46 REMARK 3 SELECTION: CHAIN 'F' AND (RESID 100 THROUGH 117 ) REMARK 3 ORIGIN FOR THE GROUP (A): 25.7237 -99.7964 40.2287 REMARK 3 T TENSOR REMARK 3 T11: 0.4688 T22: 0.3898 REMARK 3 T33: 0.4459 T12: 0.3019 REMARK 3 T13: -0.0452 T23: 0.0481 REMARK 3 L TENSOR REMARK 3 L11: 0.9952 L22: 0.6289 REMARK 3 L33: 0.8947 L12: 0.6584 REMARK 3 L13: 0.1211 L23: 0.1124 REMARK 3 S TENSOR REMARK 3 S11: -0.0572 S12: -0.1088 S13: 0.0931 REMARK 3 S21: 0.1799 S22: 0.0015 S23: -0.4421 REMARK 3 S31: 0.0807 S32: 0.2124 S33: 0.2077 REMARK 3 TLS GROUP : 47 REMARK 3 SELECTION: CHAIN 'F' AND (RESID 118 THROUGH 128 ) REMARK 3 ORIGIN FOR THE GROUP (A): 60.0079-105.0859 47.3248 REMARK 3 T TENSOR REMARK 3 T11: 1.2979 T22: 1.4727 REMARK 3 T33: 1.3944 T12: 0.1831 REMARK 3 T13: -0.1911 T23: 0.2092 REMARK 3 L TENSOR REMARK 3 L11: 0.8522 L22: 2.2335 REMARK 3 L33: 2.9347 L12: -0.8236 REMARK 3 L13: 1.3690 L23: -0.2945 REMARK 3 S TENSOR REMARK 3 S11: 0.0744 S12: 0.0508 S13: 0.1870 REMARK 3 S21: -0.1592 S22: -0.1190 S23: -0.3441 REMARK 3 S31: -0.2550 S32: 0.3699 S33: 0.0297 REMARK 3 TLS GROUP : 48 REMARK 3 SELECTION: CHAIN 'F' AND (RESID 129 THROUGH 139 ) REMARK 3 ORIGIN FOR THE GROUP (A): 71.3103 -90.7468 26.8756 REMARK 3 T TENSOR REMARK 3 T11: 2.2460 T22: 2.1263 REMARK 3 T33: 2.1499 T12: 0.0730 REMARK 3 T13: -0.0351 T23: 0.1868 REMARK 3 L TENSOR REMARK 3 L11: 0.0001 L22: 0.0001 REMARK 3 L33: 0.0003 L12: 0.0000 REMARK 3 L13: -0.0001 L23: -0.0002 REMARK 3 S TENSOR REMARK 3 S11: -0.0311 S12: 0.3853 S13: -0.0154 REMARK 3 S21: -0.6301 S22: 0.1659 S23: 0.3541 REMARK 3 S31: 0.4843 S32: -0.4866 S33: -0.1356 REMARK 3 TLS GROUP : 49 REMARK 3 SELECTION: CHAIN 'F' AND (RESID 140 THROUGH 161 ) REMARK 3 ORIGIN FOR THE GROUP (A): 60.2993 -96.6289 45.0650 REMARK 3 T TENSOR REMARK 3 T11: 1.5645 T22: 1.8904 REMARK 3 T33: 1.6715 T12: 0.1426 REMARK 3 T13: -0.4093 T23: 0.1968 REMARK 3 L TENSOR REMARK 3 L11: 0.8518 L22: 0.8623 REMARK 3 L33: 2.4812 L12: -0.7404 REMARK 3 L13: -0.4414 L23: 1.0859 REMARK 3 S TENSOR REMARK 3 S11: 0.0328 S12: -0.0243 S13: 0.1080 REMARK 3 S21: -0.1350 S22: 0.0718 S23: -0.2445 REMARK 3 S31: -0.2438 S32: 0.2702 S33: -0.0419 REMARK 3 TLS GROUP : 50 REMARK 3 SELECTION: CHAIN 'F' AND (RESID 162 THROUGH 170 ) REMARK 3 ORIGIN FOR THE GROUP (A): 61.7261 -87.1807 39.4241 REMARK 3 T TENSOR REMARK 3 T11: 1.4198 T22: 1.3880 REMARK 3 T33: 1.4154 T12: 0.0751 REMARK 3 T13: -0.0259 T23: -0.0329 REMARK 3 L TENSOR REMARK 3 L11: 0.4689 L22: 0.5769 REMARK 3 L33: 1.6159 L12: -0.0882 REMARK 3 L13: -0.7384 L23: -0.3318 REMARK 3 S TENSOR REMARK 3 S11: 0.1103 S12: -0.1037 S13: -0.2964 REMARK 3 S21: 0.3288 S22: 0.1505 S23: -0.8359 REMARK 3 S31: -0.1622 S32: 0.5442 S33: -0.2655 REMARK 3 TLS GROUP : 51 REMARK 3 SELECTION: CHAIN 'F' AND (RESID 171 THROUGH 188 ) REMARK 3 ORIGIN FOR THE GROUP (A): 55.6834-100.2295 40.2117 REMARK 3 T TENSOR REMARK 3 T11: 1.0323 T22: 1.4143 REMARK 3 T33: 1.5544 T12: 0.3405 REMARK 3 T13: -0.1961 T23: 0.2955 REMARK 3 L TENSOR REMARK 3 L11: 2.4344 L22: 1.7008 REMARK 3 L33: 4.1718 L12: -1.7794 REMARK 3 L13: 0.5557 L23: 0.8665 REMARK 3 S TENSOR REMARK 3 S11: 0.0846 S12: 0.0155 S13: 0.1371 REMARK 3 S21: -0.0380 S22: -0.0216 S23: -0.1147 REMARK 3 S31: -0.1407 S32: 0.1172 S33: -0.0128 REMARK 3 TLS GROUP : 52 REMARK 3 SELECTION: CHAIN 'F' AND (RESID 189 THROUGH 197 ) REMARK 3 ORIGIN FOR THE GROUP (A): 77.4453 -87.6031 37.0017 REMARK 3 T TENSOR REMARK 3 T11: 1.7616 T22: 1.7633 REMARK 3 T33: 1.9150 T12: -0.0531 REMARK 3 T13: -0.0544 T23: -0.0253 REMARK 3 L TENSOR REMARK 3 L11: 6.1270 L22: 6.8375 REMARK 3 L33: 0.5164 L12: -1.5733 REMARK 3 L13: -1.5327 L23: 1.2057 REMARK 3 S TENSOR REMARK 3 S11: 0.0385 S12: 0.5092 S13: 0.0167 REMARK 3 S21: -0.5907 S22: 0.0028 S23: 0.1831 REMARK 3 S31: 0.0968 S32: -0.2464 S33: -0.0378 REMARK 3 TLS GROUP : 53 REMARK 3 SELECTION: CHAIN 'F' AND (RESID 198 THROUGH 208 ) REMARK 3 ORIGIN FOR THE GROUP (A): 61.8039 -96.0468 51.3100 REMARK 3 T TENSOR REMARK 3 T11: 2.0963 T22: 2.1370 REMARK 3 T33: 2.0090 T12: -0.0567 REMARK 3 T13: -0.0591 T23: 0.1177 REMARK 3 L TENSOR REMARK 3 L11: 0.2156 L22: 0.1298 REMARK 3 L33: 0.5344 L12: -0.0941 REMARK 3 L13: 0.2998 L23: -0.0287 REMARK 3 S TENSOR REMARK 3 S11: 0.1347 S12: 0.0990 S13: 0.3008 REMARK 3 S21: -0.0851 S22: 0.0119 S23: -0.0121 REMARK 3 S31: -0.1743 S32: 0.1166 S33: -0.1504 REMARK 3 TLS GROUP : 54 REMARK 3 SELECTION: CHAIN 'F' AND (RESID 209 THROUGH 217 ) REMARK 3 ORIGIN FOR THE GROUP (A): 70.3868 -97.3827 47.3569 REMARK 3 T TENSOR REMARK 3 T11: 1.3414 T22: 1.6261 REMARK 3 T33: 1.4420 T12: 0.1255 REMARK 3 T13: -0.0660 T23: 0.0323 REMARK 3 L TENSOR REMARK 3 L11: 1.6540 L22: 0.2844 REMARK 3 L33: 2.0512 L12: -0.6859 REMARK 3 L13: -1.8401 L23: 0.7614 REMARK 3 S TENSOR REMARK 3 S11: 0.1866 S12: 0.2218 S13: 0.2315 REMARK 3 S21: -0.0633 S22: 0.0498 S23: -0.0197 REMARK 3 S31: -0.3449 S32: -0.1578 S33: -0.2161 REMARK 3 TLS GROUP : 55 REMARK 3 SELECTION: CHAIN 'G' AND (RESID 2 THROUGH 23 ) REMARK 3 ORIGIN FOR THE GROUP (A): 32.6258 -93.5933 20.2275 REMARK 3 T TENSOR REMARK 3 T11: 0.4373 T22: 0.6063 REMARK 3 T33: 0.7497 T12: 0.2245 REMARK 3 T13: 0.0756 T23: 0.0994 REMARK 3 L TENSOR REMARK 3 L11: 2.0390 L22: 1.0928 REMARK 3 L33: 0.9850 L12: 0.8864 REMARK 3 L13: 0.1288 L23: 0.7401 REMARK 3 S TENSOR REMARK 3 S11: -0.1216 S12: 0.0384 S13: -0.0851 REMARK 3 S21: -0.0345 S22: -0.0548 S23: -0.2063 REMARK 3 S31: 0.0611 S32: 0.1265 S33: 0.0826 REMARK 3 TLS GROUP : 56 REMARK 3 SELECTION: CHAIN 'G' AND (RESID 24 THROUGH 34 ) REMARK 3 ORIGIN FOR THE GROUP (A): 18.1255-105.7582 20.2239 REMARK 3 T TENSOR REMARK 3 T11: 0.6558 T22: 0.5852 REMARK 3 T33: 0.2918 T12: 0.1229 REMARK 3 T13: -0.0432 T23: -0.1912 REMARK 3 L TENSOR REMARK 3 L11: 3.5027 L22: 0.6716 REMARK 3 L33: 1.2202 L12: 1.5284 REMARK 3 L13: -1.6930 L23: -0.7811 REMARK 3 S TENSOR REMARK 3 S11: -0.0634 S12: 0.4743 S13: -0.4954 REMARK 3 S21: -0.3582 S22: 0.0911 S23: -0.2763 REMARK 3 S31: 0.2055 S32: 0.2131 S33: 0.0134 REMARK 3 TLS GROUP : 57 REMARK 3 SELECTION: CHAIN 'G' AND (RESID 35 THROUGH 50 ) REMARK 3 ORIGIN FOR THE GROUP (A): 26.3934 -91.6379 32.0675 REMARK 3 T TENSOR REMARK 3 T11: 0.3520 T22: 0.3706 REMARK 3 T33: 0.5403 T12: 0.2545 REMARK 3 T13: -0.0774 T23: 0.0476 REMARK 3 L TENSOR REMARK 3 L11: 1.4648 L22: 0.4770 REMARK 3 L33: 0.8699 L12: -0.2091 REMARK 3 L13: 0.6284 L23: -0.3407 REMARK 3 S TENSOR REMARK 3 S11: -0.0747 S12: -0.0659 S13: 0.0814 REMARK 3 S21: 0.1017 S22: 0.0315 S23: -0.1459 REMARK 3 S31: -0.0101 S32: 0.1269 S33: 0.0834 REMARK 3 TLS GROUP : 58 REMARK 3 SELECTION: CHAIN 'G' AND (RESID 51 THROUGH 63 ) REMARK 3 ORIGIN FOR THE GROUP (A): 17.7584 -87.2045 25.4378 REMARK 3 T TENSOR REMARK 3 T11: 0.5556 T22: 0.4199 REMARK 3 T33: 0.4988 T12: 0.2437 REMARK 3 T13: -0.0196 T23: 0.0606 REMARK 3 L TENSOR REMARK 3 L11: 1.6646 L22: 1.1114 REMARK 3 L33: 2.4943 L12: -1.3260 REMARK 3 L13: -0.5782 L23: 0.4192 REMARK 3 S TENSOR REMARK 3 S11: 0.0106 S12: 0.1471 S13: 0.2508 REMARK 3 S21: -0.1523 S22: 0.0264 S23: 0.0399 REMARK 3 S31: -0.2029 S32: 0.0618 S33: 0.0017 REMARK 3 TLS GROUP : 59 REMARK 3 SELECTION: CHAIN 'G' AND (RESID 64 THROUGH 78 ) REMARK 3 ORIGIN FOR THE GROUP (A): 23.6135 -92.9588 18.1554 REMARK 3 T TENSOR REMARK 3 T11: 0.5986 T22: 0.7625 REMARK 3 T33: 0.4619 T12: 0.3129 REMARK 3 T13: -0.0119 T23: 0.0359 REMARK 3 L TENSOR REMARK 3 L11: 1.3226 L22: 2.4884 REMARK 3 L33: 1.5018 L12: -0.5400 REMARK 3 L13: -0.0874 L23: 0.3082 REMARK 3 S TENSOR REMARK 3 S11: -0.0560 S12: 0.1686 S13: 0.0294 REMARK 3 S21: -0.2387 S22: -0.0363 S23: 0.1565 REMARK 3 S31: 0.0006 S32: -0.0711 S33: 0.0655 REMARK 3 TLS GROUP : 60 REMARK 3 SELECTION: CHAIN 'G' AND (RESID 79 THROUGH 93 ) REMARK 3 ORIGIN FOR THE GROUP (A): 29.2688 -90.3797 27.5236 REMARK 3 T TENSOR REMARK 3 T11: 0.5033 T22: 0.3082 REMARK 3 T33: 0.5016 T12: 0.2842 REMARK 3 T13: -0.0840 T23: 0.0100 REMARK 3 L TENSOR REMARK 3 L11: 1.5868 L22: 2.6064 REMARK 3 L33: 0.7824 L12: 1.6425 REMARK 3 L13: -0.7127 L23: -1.1232 REMARK 3 S TENSOR REMARK 3 S11: 0.0121 S12: -0.0528 S13: 0.1477 REMARK 3 S21: 0.1555 S22: -0.0363 S23: -0.2564 REMARK 3 S31: -0.1964 S32: 0.0446 S33: 0.1194 REMARK 3 TLS GROUP : 61 REMARK 3 SELECTION: CHAIN 'G' AND (RESID 94 THROUGH 99 ) REMARK 3 ORIGIN FOR THE GROUP (A): 17.1376-111.4616 29.2322 REMARK 3 T TENSOR REMARK 3 T11: 0.5032 T22: 0.3660 REMARK 3 T33: 0.4762 T12: 0.2771 REMARK 3 T13: 0.0035 T23: 0.0491 REMARK 3 L TENSOR REMARK 3 L11: 2.3353 L22: 0.0494 REMARK 3 L33: 1.3752 L12: -0.3012 REMARK 3 L13: -1.2954 L23: 0.2507 REMARK 3 S TENSOR REMARK 3 S11: -0.0117 S12: -0.0072 S13: -0.4366 REMARK 3 S21: -0.0027 S22: 0.0207 S23: 0.0303 REMARK 3 S31: 0.3352 S32: 0.0432 S33: -0.0207 REMARK 3 TLS GROUP : 62 REMARK 3 SELECTION: CHAIN 'G' AND (RESID 100 THROUGH 113 ) REMARK 3 ORIGIN FOR THE GROUP (A): 33.5931 -93.3758 26.9893 REMARK 3 T TENSOR REMARK 3 T11: 0.4536 T22: 0.3583 REMARK 3 T33: 0.6604 T12: 0.2214 REMARK 3 T13: 0.0697 T23: -0.0279 REMARK 3 L TENSOR REMARK 3 L11: 0.1618 L22: 0.1749 REMARK 3 L33: 1.2812 L12: -0.1232 REMARK 3 L13: 0.0570 L23: -0.3637 REMARK 3 S TENSOR REMARK 3 S11: 0.0950 S12: 0.1056 S13: 0.2391 REMARK 3 S21: 0.0655 S22: -0.1441 S23: -0.1369 REMARK 3 S31: -0.2503 S32: 0.1834 S33: -0.0798 REMARK 3 TLS GROUP : 63 REMARK 3 SELECTION: CHAIN 'G' AND (RESID 114 THROUGH 118 ) REMARK 3 ORIGIN FOR THE GROUP (A): 51.7334 -86.1143 21.4810 REMARK 3 T TENSOR REMARK 3 T11: 1.1141 T22: 1.2125 REMARK 3 T33: 1.3455 T12: 0.1561 REMARK 3 T13: 0.0353 T23: 0.0568 REMARK 3 L TENSOR REMARK 3 L11: 0.0409 L22: 0.0465 REMARK 3 L33: 0.0032 L12: -0.0434 REMARK 3 L13: 0.0110 L23: -0.0120 REMARK 3 S TENSOR REMARK 3 S11: 0.0167 S12: 0.2720 S13: 0.0290 REMARK 3 S21: 0.0720 S22: -0.1990 S23: -0.4098 REMARK 3 S31: 0.1950 S32: 0.2698 S33: 0.1544 REMARK 3 TLS GROUP : 64 REMARK 3 SELECTION: CHAIN 'G' AND (RESID 119 THROUGH 126 ) REMARK 3 ORIGIN FOR THE GROUP (A): 64.5298 -99.7530 30.4808 REMARK 3 T TENSOR REMARK 3 T11: 1.0768 T22: 1.2207 REMARK 3 T33: 1.2771 T12: 0.1539 REMARK 3 T13: -0.1317 T23: 0.1448 REMARK 3 L TENSOR REMARK 3 L11: 0.8168 L22: 6.2429 REMARK 3 L33: 0.4645 L12: -1.5871 REMARK 3 L13: -0.5853 L23: 1.5146 REMARK 3 S TENSOR REMARK 3 S11: -0.2203 S12: -0.2393 S13: 0.2023 REMARK 3 S21: 0.3818 S22: 0.0442 S23: -0.3571 REMARK 3 S31: -0.2680 S32: -0.0366 S33: 0.1664 REMARK 3 TLS GROUP : 65 REMARK 3 SELECTION: CHAIN 'G' AND (RESID 127 THROUGH 134 ) REMARK 3 ORIGIN FOR THE GROUP (A): 68.8553-111.4339 40.4001 REMARK 3 T TENSOR REMARK 3 T11: 1.4761 T22: 1.6853 REMARK 3 T33: 1.6420 T12: 0.0369 REMARK 3 T13: -0.1077 T23: 0.1307 REMARK 3 L TENSOR REMARK 3 L11: 0.2794 L22: 0.7910 REMARK 3 L33: 1.5130 L12: 0.4700 REMARK 3 L13: 0.6499 L23: 1.0940 REMARK 3 S TENSOR REMARK 3 S11: -0.1289 S12: 0.5701 S13: 0.4976 REMARK 3 S21: -0.5217 S22: 0.1308 S23: -0.0249 REMARK 3 S31: -0.4940 S32: 0.1935 S33: -0.0223 REMARK 3 TLS GROUP : 66 REMARK 3 SELECTION: CHAIN 'G' AND (RESID 135 THROUGH 149 ) REMARK 3 ORIGIN FOR THE GROUP (A): 54.4512 -95.4969 28.8008 REMARK 3 T TENSOR REMARK 3 T11: 0.9713 T22: 1.0436 REMARK 3 T33: 1.2791 T12: 0.1274 REMARK 3 T13: -0.0926 T23: 0.2190 REMARK 3 L TENSOR REMARK 3 L11: 1.9933 L22: 1.1394 REMARK 3 L33: 0.6383 L12: -0.5126 REMARK 3 L13: -0.1118 L23: 0.5729 REMARK 3 S TENSOR REMARK 3 S11: -0.0451 S12: -0.0788 S13: 0.0201 REMARK 3 S21: 0.2181 S22: 0.0495 S23: -0.3492 REMARK 3 S31: 0.0521 S32: 0.2299 S33: 0.0460 REMARK 3 TLS GROUP : 67 REMARK 3 SELECTION: CHAIN 'G' AND (RESID 150 THROUGH 155 ) REMARK 3 ORIGIN FOR THE GROUP (A): 55.7884-105.5336 23.2956 REMARK 3 T TENSOR REMARK 3 T11: 1.2464 T22: 1.1988 REMARK 3 T33: 1.2628 T12: 0.0978 REMARK 3 T13: 0.1178 T23: 0.1302 REMARK 3 L TENSOR REMARK 3 L11: 2.4115 L22: 5.7658 REMARK 3 L33: 7.2690 L12: 1.4845 REMARK 3 L13: -2.2466 L23: 3.6284 REMARK 3 S TENSOR REMARK 3 S11: 0.2553 S12: 0.5666 S13: -0.0503 REMARK 3 S21: -0.4095 S22: -0.1937 S23: -0.4036 REMARK 3 S31: 0.3288 S32: 0.3891 S33: -0.0539 REMARK 3 TLS GROUP : 68 REMARK 3 SELECTION: CHAIN 'G' AND (RESID 156 THROUGH 166 ) REMARK 3 ORIGIN FOR THE GROUP (A): 55.7216-110.8383 25.5853 REMARK 3 T TENSOR REMARK 3 T11: 1.1973 T22: 1.2636 REMARK 3 T33: 1.2841 T12: -0.0230 REMARK 3 T13: 0.0650 T23: 0.1904 REMARK 3 L TENSOR REMARK 3 L11: 1.5754 L22: 7.0258 REMARK 3 L33: 2.7348 L12: -2.3734 REMARK 3 L13: -2.0031 L23: 3.8212 REMARK 3 S TENSOR REMARK 3 S11: -0.2014 S12: -0.1421 S13: -0.2441 REMARK 3 S21: -0.1842 S22: -0.0013 S23: -0.2303 REMARK 3 S31: 0.5936 S32: 0.6577 S33: 0.1819 REMARK 3 TLS GROUP : 69 REMARK 3 SELECTION: CHAIN 'G' AND (RESID 167 THROUGH 185 ) REMARK 3 ORIGIN FOR THE GROUP (A): 51.8597 -94.6709 32.9605 REMARK 3 T TENSOR REMARK 3 T11: 0.9248 T22: 0.9612 REMARK 3 T33: 1.1202 T12: 0.1342 REMARK 3 T13: -0.0211 T23: -0.0351 REMARK 3 L TENSOR REMARK 3 L11: 0.8886 L22: 2.1593 REMARK 3 L33: 1.6638 L12: 0.3383 REMARK 3 L13: 0.5623 L23: -1.3960 REMARK 3 S TENSOR REMARK 3 S11: -0.0383 S12: -0.0632 S13: 0.1721 REMARK 3 S21: -0.0496 S22: -0.1089 S23: -0.2800 REMARK 3 S31: -0.0510 S32: 0.1360 S33: 0.0394 REMARK 3 TLS GROUP : 70 REMARK 3 SELECTION: CHAIN 'G' AND (RESID 186 THROUGH 192 ) REMARK 3 ORIGIN FOR THE GROUP (A): 67.8148-115.4099 30.2493 REMARK 3 T TENSOR REMARK 3 T11: 1.6522 T22: 1.4643 REMARK 3 T33: 1.6894 T12: 0.2115 REMARK 3 T13: -0.0113 T23: 0.0004 REMARK 3 L TENSOR REMARK 3 L11: 0.0016 L22: 0.0014 REMARK 3 L33: 0.0026 L12: -0.0010 REMARK 3 L13: -0.0020 L23: 0.0007 REMARK 3 S TENSOR REMARK 3 S11: 0.0936 S12: -0.3264 S13: 0.6512 REMARK 3 S21: 0.3204 S22: -0.0568 S23: -0.2200 REMARK 3 S31: -0.7726 S32: 0.4240 S33: -0.0233 REMARK 3 TLS GROUP : 71 REMARK 3 SELECTION: CHAIN 'G' AND (RESID 193 THROUGH 202 ) REMARK 3 ORIGIN FOR THE GROUP (A): 60.5596-104.8093 21.8872 REMARK 3 T TENSOR REMARK 3 T11: 1.5076 T22: 1.6130 REMARK 3 T33: 1.6304 T12: 0.1200 REMARK 3 T13: -0.0522 T23: 0.1603 REMARK 3 L TENSOR REMARK 3 L11: 0.0019 L22: 0.0017 REMARK 3 L33: 0.0008 L12: 0.0019 REMARK 3 L13: -0.0015 L23: -0.0014 REMARK 3 S TENSOR REMARK 3 S11: 0.0118 S12: 0.0630 S13: 0.0046 REMARK 3 S21: 0.0505 S22: -0.0976 S23: -0.3484 REMARK 3 S31: 0.2403 S32: 0.3060 S33: 0.0667 REMARK 3 TLS GROUP : 72 REMARK 3 SELECTION: CHAIN 'G' AND (RESID 203 THROUGH 211 ) REMARK 3 ORIGIN FOR THE GROUP (A): 58.3334 -97.8030 19.6017 REMARK 3 T TENSOR REMARK 3 T11: 1.3512 T22: 1.3907 REMARK 3 T33: 1.4301 T12: 0.1936 REMARK 3 T13: 0.0654 T23: 0.1521 REMARK 3 L TENSOR REMARK 3 L11: 2.7075 L22: 2.8603 REMARK 3 L33: 5.2223 L12: 0.4168 REMARK 3 L13: -2.9889 L23: 1.7392 REMARK 3 S TENSOR REMARK 3 S11: 0.2187 S12: 0.4769 S13: -0.0783 REMARK 3 S21: -0.1615 S22: -0.1858 S23: -0.0413 REMARK 3 S31: 0.0678 S32: 0.1532 S33: -0.0307 REMARK 3 TLS GROUP : 73 REMARK 3 SELECTION: CHAIN 'G' AND (RESID 212 THROUGH 217 ) REMARK 3 ORIGIN FOR THE GROUP (A): 77.6568-108.9227 30.0648 REMARK 3 T TENSOR REMARK 3 T11: 2.0973 T22: 2.1464 REMARK 3 T33: 2.0768 T12: 0.0815 REMARK 3 T13: -0.0764 T23: 0.0435 REMARK 3 L TENSOR REMARK 3 L11: 1.3255 L22: 0.9823 REMARK 3 L33: 0.0533 L12: 1.1168 REMARK 3 L13: -0.1994 L23: -0.1991 REMARK 3 S TENSOR REMARK 3 S11: -0.2833 S12: -0.0646 S13: 0.5085 REMARK 3 S21: -0.1193 S22: 0.0566 S23: 0.2031 REMARK 3 S31: -0.4480 S32: -0.2806 S33: 0.2307 REMARK 3 TLS GROUP : 74 REMARK 3 SELECTION: CHAIN 'B' AND (RESID 1 THROUGH 201 ) REMARK 3 ORIGIN FOR THE GROUP (A): -12.3767 -91.7078 57.4409 REMARK 3 T TENSOR REMARK 3 T11: 0.3881 T22: 0.1473 REMARK 3 T33: 0.2323 T12: 0.2286 REMARK 3 T13: 0.0489 T23: 0.0179 REMARK 3 L TENSOR REMARK 3 L11: 0.3132 L22: 0.0062 REMARK 3 L33: 1.2344 L12: -0.1691 REMARK 3 L13: 0.0240 L23: -0.0976 REMARK 3 S TENSOR REMARK 3 S11: 0.0717 S12: -0.1783 S13: 0.0022 REMARK 3 S21: -0.0417 S22: -0.0610 S23: 0.0228 REMARK 3 S31: 0.3648 S32: 0.0126 S33: 0.0019 REMARK 3 TLS GROUP : 75 REMARK 3 SELECTION: CHAIN 'B' AND (RESID 202 THROUGH 273 ) REMARK 3 ORIGIN FOR THE GROUP (A): -16.4694 -89.0342 40.0173 REMARK 3 T TENSOR REMARK 3 T11: 0.3498 T22: 0.1719 REMARK 3 T33: 0.2523 T12: 0.1811 REMARK 3 T13: 0.0364 T23: -0.0262 REMARK 3 L TENSOR REMARK 3 L11: 0.8816 L22: 0.9597 REMARK 3 L33: 2.2746 L12: -0.2239 REMARK 3 L13: -0.2773 L23: -0.3921 REMARK 3 S TENSOR REMARK 3 S11: 0.0586 S12: 0.1558 S13: -0.0993 REMARK 3 S21: 0.0872 S22: 0.0088 S23: 0.0984 REMARK 3 S31: 0.1354 S32: -0.0426 S33: -0.0135 REMARK 3 TLS GROUP : 76 REMARK 3 SELECTION: CHAIN 'B' AND (RESID 274 THROUGH 392 ) REMARK 3 ORIGIN FOR THE GROUP (A): -21.9230 -85.4796 98.3046 REMARK 3 T TENSOR REMARK 3 T11: 0.4976 T22: 0.6957 REMARK 3 T33: 0.2763 T12: 0.2728 REMARK 3 T13: 0.0115 T23: -0.0397 REMARK 3 L TENSOR REMARK 3 L11: 0.5869 L22: 0.8430 REMARK 3 L33: 1.1715 L12: -0.3066 REMARK 3 L13: -0.3488 L23: 0.2031 REMARK 3 S TENSOR REMARK 3 S11: -0.1536 S12: -0.5003 S13: 0.0971 REMARK 3 S21: 0.3281 S22: 0.2814 S23: -0.0404 REMARK 3 S31: 0.3786 S32: 0.1567 S33: -0.0770 REMARK 3 TLS GROUP : 77 REMARK 3 SELECTION: CHAIN 'C' AND (RESID 2 THROUGH 25 ) REMARK 3 ORIGIN FOR THE GROUP (A): 3.8227 -63.9423 4.3495 REMARK 3 T TENSOR REMARK 3 T11: 0.3357 T22: 0.6953 REMARK 3 T33: 0.4943 T12: 0.1840 REMARK 3 T13: 0.1902 T23: 0.2061 REMARK 3 L TENSOR REMARK 3 L11: 0.6184 L22: 1.5128 REMARK 3 L33: 0.8462 L12: 0.2267 REMARK 3 L13: -0.2803 L23: -0.1642 REMARK 3 S TENSOR REMARK 3 S11: -0.0296 S12: 0.0350 S13: 0.0371 REMARK 3 S21: -0.0521 S22: 0.1754 S23: -0.1425 REMARK 3 S31: 0.0202 S32: 0.1575 S33: 0.0954 REMARK 3 TLS GROUP : 78 REMARK 3 SELECTION: CHAIN 'C' AND (RESID 26 THROUGH 32 ) REMARK 3 ORIGIN FOR THE GROUP (A): 1.1668 -82.0771 10.5074 REMARK 3 T TENSOR REMARK 3 T11: 0.4838 T22: 0.3559 REMARK 3 T33: 0.3684 T12: 0.3022 REMARK 3 T13: 0.0272 T23: 0.0157 REMARK 3 L TENSOR REMARK 3 L11: 1.8575 L22: 2.8818 REMARK 3 L33: 0.8835 L12: -1.7691 REMARK 3 L13: -0.1229 L23: 0.5768 REMARK 3 S TENSOR REMARK 3 S11: 0.0385 S12: 0.0599 S13: 0.0191 REMARK 3 S21: -0.0927 S22: -0.0656 S23: -0.0859 REMARK 3 S31: 0.0689 S32: 0.0760 S33: -0.0192 REMARK 3 TLS GROUP : 79 REMARK 3 SELECTION: CHAIN 'C' AND (RESID 33 THROUGH 51 ) REMARK 3 ORIGIN FOR THE GROUP (A): -1.0407 -64.4870 16.3999 REMARK 3 T TENSOR REMARK 3 T11: 0.2169 T22: 0.2865 REMARK 3 T33: 0.3306 T12: 0.2130 REMARK 3 T13: 0.0607 T23: 0.1478 REMARK 3 L TENSOR REMARK 3 L11: 1.2232 L22: 0.3894 REMARK 3 L33: 0.3460 L12: -0.1209 REMARK 3 L13: 0.3153 L23: -0.1409 REMARK 3 S TENSOR REMARK 3 S11: -0.0402 S12: -0.0039 S13: 0.1759 REMARK 3 S21: 0.0617 S22: 0.0478 S23: -0.1057 REMARK 3 S31: -0.0651 S32: -0.0168 S33: 0.1216 REMARK 3 TLS GROUP : 80 REMARK 3 SELECTION: CHAIN 'C' AND (RESID 52 THROUGH 67 ) REMARK 3 ORIGIN FOR THE GROUP (A): -10.6755 -67.2320 12.5631 REMARK 3 T TENSOR REMARK 3 T11: 0.2641 T22: 0.4563 REMARK 3 T33: 0.3366 T12: 0.2562 REMARK 3 T13: 0.0932 T23: 0.1441 REMARK 3 L TENSOR REMARK 3 L11: 1.0943 L22: 1.4579 REMARK 3 L33: 0.4095 L12: 0.3671 REMARK 3 L13: 0.2203 L23: -0.3274 REMARK 3 S TENSOR REMARK 3 S11: 0.0452 S12: 0.0137 S13: 0.1476 REMARK 3 S21: 0.0284 S22: 0.0547 S23: 0.1169 REMARK 3 S31: -0.0375 S32: -0.0457 S33: 0.1379 REMARK 3 TLS GROUP : 81 REMARK 3 SELECTION: CHAIN 'C' AND (RESID 68 THROUGH 91 ) REMARK 3 ORIGIN FOR THE GROUP (A): -3.5297 -65.0553 5.6859 REMARK 3 T TENSOR REMARK 3 T11: 0.2551 T22: 0.4799 REMARK 3 T33: 0.3669 T12: 0.2467 REMARK 3 T13: 0.1087 T23: 0.1621 REMARK 3 L TENSOR REMARK 3 L11: 1.4094 L22: 1.0572 REMARK 3 L33: 0.3564 L12: 0.1515 REMARK 3 L13: 0.4127 L23: -0.0266 REMARK 3 S TENSOR REMARK 3 S11: 0.0060 S12: 0.0617 S13: 0.1380 REMARK 3 S21: -0.0056 S22: 0.0473 S23: -0.1316 REMARK 3 S31: -0.0198 S32: 0.0108 S33: -0.0084 REMARK 3 TLS GROUP : 82 REMARK 3 SELECTION: CHAIN 'C' AND (RESID 92 THROUGH 117 ) REMARK 3 ORIGIN FOR THE GROUP (A): 3.8806 -66.4543 14.5440 REMARK 3 T TENSOR REMARK 3 T11: 0.2569 T22: 0.4385 REMARK 3 T33: 0.3351 T12: 0.3072 REMARK 3 T13: 0.0249 T23: 0.2024 REMARK 3 L TENSOR REMARK 3 L11: 0.5276 L22: 0.8065 REMARK 3 L33: 0.4829 L12: 0.5249 REMARK 3 L13: -0.3957 L23: -0.4820 REMARK 3 S TENSOR REMARK 3 S11: -0.0209 S12: 0.0482 S13: 0.0830 REMARK 3 S21: 0.0139 S22: -0.0158 S23: -0.1310 REMARK 3 S31: -0.0166 S32: 0.0579 S33: 0.1492 REMARK 3 TLS GROUP : 83 REMARK 3 SELECTION: CHAIN 'C' AND (RESID 118 THROUGH 128 ) REMARK 3 ORIGIN FOR THE GROUP (A): 14.2137 -33.3284 5.5741 REMARK 3 T TENSOR REMARK 3 T11: 0.7979 T22: 0.8757 REMARK 3 T33: 0.8584 T12: -0.1491 REMARK 3 T13: -0.0610 T23: 0.2831 REMARK 3 L TENSOR REMARK 3 L11: 3.0870 L22: 2.1291 REMARK 3 L33: 0.1459 L12: 2.3351 REMARK 3 L13: 0.6663 L23: 0.4731 REMARK 3 S TENSOR REMARK 3 S11: -0.0565 S12: 0.0251 S13: 0.0594 REMARK 3 S21: -0.0707 S22: 0.1379 S23: -0.0605 REMARK 3 S31: -0.1756 S32: 0.1698 S33: -0.0307 REMARK 3 TLS GROUP : 84 REMARK 3 SELECTION: CHAIN 'C' AND (RESID 129 THROUGH 139 ) REMARK 3 ORIGIN FOR THE GROUP (A): 31.4075 -28.3124 26.3568 REMARK 3 T TENSOR REMARK 3 T11: 1.6503 T22: 1.8378 REMARK 3 T33: 1.6488 T12: 0.1158 REMARK 3 T13: -0.1307 T23: 0.1411 REMARK 3 L TENSOR REMARK 3 L11: 0.0004 L22: 0.0008 REMARK 3 L33: 0.0005 L12: 0.0006 REMARK 3 L13: -0.0004 L23: -0.0006 REMARK 3 S TENSOR REMARK 3 S11: -0.1695 S12: -1.1239 S13: -0.2960 REMARK 3 S21: 0.9173 S22: 0.2181 S23: -0.3792 REMARK 3 S31: -0.1483 S32: -0.0465 S33: -0.0360 REMARK 3 TLS GROUP : 85 REMARK 3 SELECTION: CHAIN 'C' AND (RESID 140 THROUGH 158 ) REMARK 3 ORIGIN FOR THE GROUP (A): 20.1172 -36.9785 8.5222 REMARK 3 T TENSOR REMARK 3 T11: 0.6349 T22: 0.9776 REMARK 3 T33: 1.3313 T12: -0.0891 REMARK 3 T13: -0.0906 T23: 0.2656 REMARK 3 L TENSOR REMARK 3 L11: 0.2647 L22: 0.1045 REMARK 3 L33: 0.7273 L12: -0.1620 REMARK 3 L13: 0.1783 L23: -0.0913 REMARK 3 S TENSOR REMARK 3 S11: 0.0032 S12: -0.0179 S13: 0.0382 REMARK 3 S21: 0.1449 S22: 0.0627 S23: -0.2326 REMARK 3 S31: -0.1579 S32: 0.2516 S33: -0.0460 REMARK 3 TLS GROUP : 86 REMARK 3 SELECTION: CHAIN 'C' AND (RESID 159 THROUGH 181 ) REMARK 3 ORIGIN FOR THE GROUP (A): 21.1767 -39.5892 11.3159 REMARK 3 T TENSOR REMARK 3 T11: 0.4425 T22: 0.8818 REMARK 3 T33: 1.0867 T12: -0.0466 REMARK 3 T13: -0.0328 T23: 0.2895 REMARK 3 L TENSOR REMARK 3 L11: 0.9797 L22: 1.3887 REMARK 3 L33: 1.3940 L12: 1.1609 REMARK 3 L13: -0.3299 L23: -0.3611 REMARK 3 S TENSOR REMARK 3 S11: 0.0762 S12: -0.1052 S13: 0.0233 REMARK 3 S21: 0.0443 S22: 0.0535 S23: -0.0786 REMARK 3 S31: -0.1313 S32: 0.1782 S33: -0.0405 REMARK 3 TLS GROUP : 87 REMARK 3 SELECTION: CHAIN 'C' AND (RESID 182 THROUGH 188 ) REMARK 3 ORIGIN FOR THE GROUP (A): 26.8772 -34.8787 15.7184 REMARK 3 T TENSOR REMARK 3 T11: 0.7573 T22: 0.7460 REMARK 3 T33: 1.0524 T12: -0.1634 REMARK 3 T13: 0.0038 T23: 0.2851 REMARK 3 L TENSOR REMARK 3 L11: 2.8894 L22: 4.8670 REMARK 3 L33: 8.1020 L12: -3.2533 REMARK 3 L13: -0.9569 L23: -1.3734 REMARK 3 S TENSOR REMARK 3 S11: -0.1131 S12: -0.3082 S13: 0.5510 REMARK 3 S21: 0.3374 S22: 0.0921 S23: -0.4619 REMARK 3 S31: -0.5555 S32: 0.6374 S33: 0.0769 REMARK 3 TLS GROUP : 88 REMARK 3 SELECTION: CHAIN 'C' AND (RESID 189 THROUGH 201 ) REMARK 3 ORIGIN FOR THE GROUP (A): 33.9231 -26.3945 12.9239 REMARK 3 T TENSOR REMARK 3 T11: 1.2527 T22: 1.4111 REMARK 3 T33: 1.4761 T12: -0.2317 REMARK 3 T13: 0.0142 T23: 0.0898 REMARK 3 L TENSOR REMARK 3 L11: 2.7303 L22: 0.8931 REMARK 3 L33: 1.0388 L12: 1.5616 REMARK 3 L13: 1.6837 L23: 0.9633 REMARK 3 S TENSOR REMARK 3 S11: -0.0228 S12: -0.1996 S13: 0.1794 REMARK 3 S21: 0.1908 S22: 0.0031 S23: -0.1122 REMARK 3 S31: -0.1621 S32: 0.0395 S33: 0.0392 REMARK 3 TLS GROUP : 89 REMARK 3 SELECTION: CHAIN 'C' AND (RESID 202 THROUGH 217 ) REMARK 3 ORIGIN FOR THE GROUP (A): 22.4673 -32.1166 2.7599 REMARK 3 T TENSOR REMARK 3 T11: 0.9126 T22: 1.1095 REMARK 3 T33: 0.9779 T12: -0.0657 REMARK 3 T13: 0.0389 T23: 0.3273 REMARK 3 L TENSOR REMARK 3 L11: 0.9989 L22: 0.4151 REMARK 3 L33: 1.7315 L12: -0.3998 REMARK 3 L13: -0.9648 L23: -0.0655 REMARK 3 S TENSOR REMARK 3 S11: -0.1899 S12: 0.2161 S13: -0.0244 REMARK 3 S21: -0.2571 S22: 0.0867 S23: -0.0642 REMARK 3 S31: -0.2468 S32: 0.1524 S33: 0.0022 REMARK 3 TLS GROUP : 90 REMARK 3 SELECTION: CHAIN 'D' AND (RESID 1 THROUGH 12 ) REMARK 3 ORIGIN FOR THE GROUP (A): 6.0367 -58.5340 32.2872 REMARK 3 T TENSOR REMARK 3 T11: 0.3743 T22: 0.2087 REMARK 3 T33: 0.6105 T12: 0.0188 REMARK 3 T13: 0.0090 T23: -0.0557 REMARK 3 L TENSOR REMARK 3 L11: 0.1604 L22: 3.6980 REMARK 3 L33: 3.8101 L12: -0.3200 REMARK 3 L13: 0.6544 L23: -0.2108 REMARK 3 S TENSOR REMARK 3 S11: -0.1675 S12: 0.0934 S13: 0.5357 REMARK 3 S21: 0.0030 S22: -0.1259 S23: 0.0452 REMARK 3 S31: -0.1515 S32: -0.0550 S33: 0.1680 REMARK 3 TLS GROUP : 91 REMARK 3 SELECTION: CHAIN 'D' AND (RESID 13 THROUGH 26 ) REMARK 3 ORIGIN FOR THE GROUP (A): 12.7861 -63.3828 36.6751 REMARK 3 T TENSOR REMARK 3 T11: 0.5288 T22: 0.3504 REMARK 3 T33: 0.5922 T12: 0.0554 REMARK 3 T13: -0.1370 T23: -0.0442 REMARK 3 L TENSOR REMARK 3 L11: 4.1658 L22: 1.0743 REMARK 3 L33: 1.2840 L12: 0.8568 REMARK 3 L13: -1.9408 L23: 0.1809 REMARK 3 S TENSOR REMARK 3 S11: -0.1111 S12: -0.1969 S13: -0.1107 REMARK 3 S21: 0.1466 S22: -0.1214 S23: -0.0718 REMARK 3 S31: -0.0212 S32: 0.1430 S33: 0.1104 REMARK 3 TLS GROUP : 92 REMARK 3 SELECTION: CHAIN 'D' AND (RESID 27 THROUGH 34 ) REMARK 3 ORIGIN FOR THE GROUP (A): -6.5599 -70.6580 35.1139 REMARK 3 T TENSOR REMARK 3 T11: 0.6291 T22: 0.6736 REMARK 3 T33: 0.4457 T12: 0.0901 REMARK 3 T13: 0.0423 T23: 0.0791 REMARK 3 L TENSOR REMARK 3 L11: 0.1264 L22: 0.1329 REMARK 3 L33: 2.1321 L12: 0.1241 REMARK 3 L13: 0.3627 L23: 0.3803 REMARK 3 S TENSOR REMARK 3 S11: -0.0209 S12: -0.4763 S13: 0.6063 REMARK 3 S21: 0.4150 S22: 0.1500 S23: -0.1759 REMARK 3 S31: -0.3722 S32: 0.0215 S33: -0.1024 REMARK 3 TLS GROUP : 93 REMARK 3 SELECTION: CHAIN 'D' AND (RESID 35 THROUGH 50 ) REMARK 3 ORIGIN FOR THE GROUP (A): 11.5309 -68.4875 23.3033 REMARK 3 T TENSOR REMARK 3 T11: 0.3209 T22: 0.3088 REMARK 3 T33: 0.4916 T12: 0.1926 REMARK 3 T13: 0.0306 T23: 0.0918 REMARK 3 L TENSOR REMARK 3 L11: 0.8373 L22: 1.4308 REMARK 3 L33: 0.9473 L12: -0.5959 REMARK 3 L13: 0.1914 L23: -0.4468 REMARK 3 S TENSOR REMARK 3 S11: 0.0795 S12: 0.1617 S13: 0.0689 REMARK 3 S21: -0.0861 S22: -0.1202 S23: -0.2911 REMARK 3 S31: 0.0679 S32: 0.2087 S33: 0.0830 REMARK 3 TLS GROUP : 94 REMARK 3 SELECTION: CHAIN 'D' AND (RESID 51 THROUGH 77 ) REMARK 3 ORIGIN FOR THE GROUP (A): 10.0661 -73.6489 33.8838 REMARK 3 T TENSOR REMARK 3 T11: 0.4721 T22: 0.3557 REMARK 3 T33: 0.5426 T12: 0.2717 REMARK 3 T13: -0.0929 T23: 0.0965 REMARK 3 L TENSOR REMARK 3 L11: 0.2924 L22: 0.7080 REMARK 3 L33: 0.5377 L12: 0.0888 REMARK 3 L13: 0.1150 L23: 0.0105 REMARK 3 S TENSOR REMARK 3 S11: -0.0533 S12: -0.0184 S13: 0.0180 REMARK 3 S21: 0.0607 S22: -0.0397 S23: -0.1355 REMARK 3 S31: 0.0458 S32: 0.0856 S33: -0.1217 REMARK 3 TLS GROUP : 95 REMARK 3 SELECTION: CHAIN 'D' AND (RESID 78 THROUGH 93 ) REMARK 3 ORIGIN FOR THE GROUP (A): 14.1449 -66.4768 28.1880 REMARK 3 T TENSOR REMARK 3 T11: 0.2435 T22: 0.4651 REMARK 3 T33: 0.5031 T12: 0.1839 REMARK 3 T13: 0.0130 T23: 0.1379 REMARK 3 L TENSOR REMARK 3 L11: 3.1050 L22: 0.2988 REMARK 3 L33: 0.3702 L12: 0.3588 REMARK 3 L13: 0.3274 L23: 0.0623 REMARK 3 S TENSOR REMARK 3 S11: 0.0713 S12: 0.2020 S13: 0.1347 REMARK 3 S21: -0.0200 S22: -0.1044 S23: -0.3079 REMARK 3 S31: 0.0411 S32: 0.3633 S33: 0.0089 REMARK 3 TLS GROUP : 96 REMARK 3 SELECTION: CHAIN 'D' AND (RESID 94 THROUGH 106 ) REMARK 3 ORIGIN FOR THE GROUP (A): -3.8972 -66.0213 25.8967 REMARK 3 T TENSOR REMARK 3 T11: 0.2980 T22: 0.3403 REMARK 3 T33: 0.4580 T12: 0.2196 REMARK 3 T13: 0.1252 T23: 0.1642 REMARK 3 L TENSOR REMARK 3 L11: 0.4154 L22: 0.8314 REMARK 3 L33: 0.3304 L12: -0.2023 REMARK 3 L13: 0.1223 L23: 0.1083 REMARK 3 S TENSOR REMARK 3 S11: -0.0226 S12: 0.0195 S13: 0.0780 REMARK 3 S21: 0.0206 S22: 0.0179 S23: 0.0882 REMARK 3 S31: 0.0103 S32: 0.0010 S33: 0.0372 REMARK 3 TLS GROUP : 97 REMARK 3 SELECTION: CHAIN 'D' AND (RESID 107 THROUGH 113 ) REMARK 3 ORIGIN FOR THE GROUP (A): 23.2977 -58.2075 29.8390 REMARK 3 T TENSOR REMARK 3 T11: 0.3771 T22: 0.6605 REMARK 3 T33: 0.7287 T12: 0.0374 REMARK 3 T13: -0.0669 T23: 0.1444 REMARK 3 L TENSOR REMARK 3 L11: 0.0037 L22: 0.0010 REMARK 3 L33: 0.0009 L12: 0.0001 REMARK 3 L13: 0.0013 L23: -0.0010 REMARK 3 S TENSOR REMARK 3 S11: 0.0371 S12: -0.1442 S13: 0.0545 REMARK 3 S21: 0.1548 S22: 0.0224 S23: -0.2351 REMARK 3 S31: -0.0448 S32: 0.2022 S33: -0.0419 REMARK 3 TLS GROUP : 98 REMARK 3 SELECTION: CHAIN 'D' AND (RESID 114 THROUGH 129 ) REMARK 3 ORIGIN FOR THE GROUP (A): 21.2694 -33.6387 23.3285 REMARK 3 T TENSOR REMARK 3 T11: 0.9578 T22: 0.7302 REMARK 3 T33: 1.1465 T12: -0.0844 REMARK 3 T13: -0.0692 T23: 0.3613 REMARK 3 L TENSOR REMARK 3 L11: 0.5644 L22: 0.3924 REMARK 3 L33: 0.2926 L12: 0.3052 REMARK 3 L13: -0.2087 L23: 0.0976 REMARK 3 S TENSOR REMARK 3 S11: 0.2514 S12: 0.2558 S13: 0.1658 REMARK 3 S21: -0.2231 S22: 0.1450 S23: 0.1009 REMARK 3 S31: -0.1498 S32: -0.1458 S33: -0.1413 REMARK 3 TLS GROUP : 99 REMARK 3 SELECTION: CHAIN 'D' AND (RESID 130 THROUGH 134 ) REMARK 3 ORIGIN FOR THE GROUP (A): 9.3602 -22.4068 11.5127 REMARK 3 T TENSOR REMARK 3 T11: 1.2595 T22: 1.2765 REMARK 3 T33: 1.2319 T12: 0.0095 REMARK 3 T13: 0.0048 T23: 0.1980 REMARK 3 L TENSOR REMARK 3 L11: 0.9013 L22: 1.1083 REMARK 3 L33: 3.0732 L12: 0.9896 REMARK 3 L13: 1.6468 L23: 1.8317 REMARK 3 S TENSOR REMARK 3 S11: 0.0778 S12: -0.0244 S13: 0.1999 REMARK 3 S21: 0.1038 S22: -0.0335 S23: 0.0385 REMARK 3 S31: -0.0920 S32: 0.0430 S33: -0.0331 REMARK 3 TLS GROUP : 100 REMARK 3 SELECTION: CHAIN 'D' AND (RESID 135 THROUGH 149 ) REMARK 3 ORIGIN FOR THE GROUP (A): 19.9368 -41.5363 24.7330 REMARK 3 T TENSOR REMARK 3 T11: 0.6461 T22: 0.7193 REMARK 3 T33: 0.9910 T12: -0.0602 REMARK 3 T13: -0.1880 T23: 0.2183 REMARK 3 L TENSOR REMARK 3 L11: 0.5167 L22: 3.6735 REMARK 3 L33: 0.4798 L12: -0.3384 REMARK 3 L13: -0.4299 L23: -0.3587 REMARK 3 S TENSOR REMARK 3 S11: 0.1869 S12: 0.1578 S13: 0.1134 REMARK 3 S21: -0.1095 S22: 0.0351 S23: -0.1282 REMARK 3 S31: -0.0879 S32: 0.1126 S33: -0.0534 REMARK 3 TLS GROUP : 101 REMARK 3 SELECTION: CHAIN 'D' AND (RESID 150 THROUGH 166 ) REMARK 3 ORIGIN FOR THE GROUP (A): 7.8768 -34.9033 27.9240 REMARK 3 T TENSOR REMARK 3 T11: 0.6808 T22: 0.6564 REMARK 3 T33: 1.0915 T12: 0.0761 REMARK 3 T13: -0.0107 T23: 0.2028 REMARK 3 L TENSOR REMARK 3 L11: 4.6361 L22: 1.6585 REMARK 3 L33: 4.2792 L12: -1.3518 REMARK 3 L13: 0.3836 L23: -1.7322 REMARK 3 S TENSOR REMARK 3 S11: 0.0275 S12: -0.1230 S13: 0.1517 REMARK 3 S21: -0.0614 S22: -0.0637 S23: 0.3015 REMARK 3 S31: -0.3871 S32: -0.3236 S33: 0.0368 REMARK 3 TLS GROUP : 102 REMARK 3 SELECTION: CHAIN 'D' AND (RESID 167 THROUGH 185 ) REMARK 3 ORIGIN FOR THE GROUP (A): 19.8280 -44.4746 20.6776 REMARK 3 T TENSOR REMARK 3 T11: 0.6015 T22: 0.8862 REMARK 3 T33: 0.7849 T12: 0.1036 REMARK 3 T13: -0.0748 T23: 0.2347 REMARK 3 L TENSOR REMARK 3 L11: 0.5173 L22: 2.4386 REMARK 3 L33: 1.9360 L12: 0.1017 REMARK 3 L13: 0.1309 L23: 0.0710 REMARK 3 S TENSOR REMARK 3 S11: 0.0610 S12: 0.2148 S13: -0.0061 REMARK 3 S21: -0.1416 S22: -0.0811 S23: -0.2646 REMARK 3 S31: 0.0388 S32: 0.1396 S33: 0.0000 REMARK 3 TLS GROUP : 103 REMARK 3 SELECTION: CHAIN 'D' AND (RESID 186 THROUGH 192 ) REMARK 3 ORIGIN FOR THE GROUP (A): 6.8654 -21.8476 21.2825 REMARK 3 T TENSOR REMARK 3 T11: 1.1755 T22: 1.0646 REMARK 3 T33: 1.2253 T12: 0.2110 REMARK 3 T13: -0.0589 T23: 0.1614 REMARK 3 L TENSOR REMARK 3 L11: 2.8436 L22: 8.9328 REMARK 3 L33: 5.5851 L12: 3.4829 REMARK 3 L13: -1.5264 L23: 2.8159 REMARK 3 S TENSOR REMARK 3 S11: -0.1150 S12: 0.0756 S13: 0.3092 REMARK 3 S21: -0.2723 S22: -0.0253 S23: 0.5404 REMARK 3 S31: -0.3012 S32: -0.4909 S33: 0.1356 REMARK 3 TLS GROUP : 104 REMARK 3 SELECTION: CHAIN 'D' AND (RESID 193 THROUGH 213 ) REMARK 3 ORIGIN FOR THE GROUP (A): 15.7362 -33.1261 31.3738 REMARK 3 T TENSOR REMARK 3 T11: 1.0353 T22: 0.5978 REMARK 3 T33: 1.2026 T12: 0.1709 REMARK 3 T13: -0.2983 T23: 0.1307 REMARK 3 L TENSOR REMARK 3 L11: 1.1748 L22: 0.1630 REMARK 3 L33: 1.4029 L12: 0.4110 REMARK 3 L13: 0.0829 L23: -0.1321 REMARK 3 S TENSOR REMARK 3 S11: -0.1445 S12: -0.0408 S13: 0.2121 REMARK 3 S21: 0.1956 S22: 0.0367 S23: 0.0578 REMARK 3 S31: -0.3633 S32: -0.2363 S33: 0.0439 REMARK 3 TLS GROUP : 105 REMARK 3 SELECTION: CHAIN 'I' AND (RESID 1 THROUGH 34 ) REMARK 3 ORIGIN FOR THE GROUP (A): -6.5320-132.6359 55.7982 REMARK 3 T TENSOR REMARK 3 T11: 0.6962 T22: 0.3270 REMARK 3 T33: 0.3313 T12: -0.0185 REMARK 3 T13: 0.0617 T23: -0.0682 REMARK 3 L TENSOR REMARK 3 L11: 2.1615 L22: 3.0225 REMARK 3 L33: 0.8660 L12: -0.7810 REMARK 3 L13: 0.7158 L23: 1.0193 REMARK 3 S TENSOR REMARK 3 S11: 0.1089 S12: -0.0850 S13: -0.2218 REMARK 3 S21: 0.2221 S22: -0.0600 S23: 0.1943 REMARK 3 S31: 0.1124 S32: -0.2729 S33: -0.0572 REMARK 3 TLS GROUP : 106 REMARK 3 SELECTION: CHAIN 'I' AND (RESID 35 THROUGH 167 ) REMARK 3 ORIGIN FOR THE GROUP (A): 6.4051-130.6733 19.2084 REMARK 3 T TENSOR REMARK 3 T11: 0.4540 T22: 0.1732 REMARK 3 T33: 0.2519 T12: 0.0544 REMARK 3 T13: -0.0232 T23: -0.0272 REMARK 3 L TENSOR REMARK 3 L11: 0.0157 L22: 0.3190 REMARK 3 L33: 1.5661 L12: -0.0055 REMARK 3 L13: -0.2367 L23: 0.0311 REMARK 3 S TENSOR REMARK 3 S11: -0.0770 S12: -0.0593 S13: 0.0265 REMARK 3 S21: 0.0615 S22: -0.0414 S23: -0.0524 REMARK 3 S31: 0.2367 S32: -0.0189 S33: 0.0499 REMARK 3 TLS GROUP : 107 REMARK 3 SELECTION: CHAIN 'I' AND (RESID 168 THROUGH 201 ) REMARK 3 ORIGIN FOR THE GROUP (A): 2.5055-136.9849 43.4099 REMARK 3 T TENSOR REMARK 3 T11: 0.8148 T22: 0.2387 REMARK 3 T33: 0.4139 T12: 0.1656 REMARK 3 T13: -0.0541 T23: -0.0054 REMARK 3 L TENSOR REMARK 3 L11: 0.3346 L22: 0.2932 REMARK 3 L33: 4.8006 L12: 0.0458 REMARK 3 L13: -0.0925 L23: -1.1825 REMARK 3 S TENSOR REMARK 3 S11: 0.0453 S12: 0.0697 S13: -0.1035 REMARK 3 S21: 0.0431 S22: 0.0864 S23: -0.1219 REMARK 3 S31: 0.2599 S32: -0.2739 S33: -0.0823 REMARK 3 TLS GROUP : 108 REMARK 3 SELECTION: CHAIN 'I' AND (RESID 202 THROUGH 257 ) REMARK 3 ORIGIN FOR THE GROUP (A): 1.8365-128.0724 8.6865 REMARK 3 T TENSOR REMARK 3 T11: 0.3591 T22: 0.1580 REMARK 3 T33: 0.2395 T12: 0.1354 REMARK 3 T13: -0.0364 T23: -0.0037 REMARK 3 L TENSOR REMARK 3 L11: 1.0058 L22: 0.3593 REMARK 3 L33: 2.7526 L12: 0.0649 REMARK 3 L13: -0.8345 L23: 0.5416 REMARK 3 S TENSOR REMARK 3 S11: -0.0702 S12: 0.0467 S13: 0.0009 REMARK 3 S21: 0.1582 S22: 0.1273 S23: 0.2146 REMARK 3 S31: 0.0362 S32: -0.0167 S33: -0.0253 REMARK 3 TLS GROUP : 109 REMARK 3 SELECTION: CHAIN 'I' AND (RESID 258 THROUGH 286 ) REMARK 3 ORIGIN FOR THE GROUP (A): 1.1274-132.3245 38.4587 REMARK 3 T TENSOR REMARK 3 T11: 0.8441 T22: 0.2675 REMARK 3 T33: 0.3534 T12: 0.1426 REMARK 3 T13: 0.0023 T23: -0.0010 REMARK 3 L TENSOR REMARK 3 L11: 0.3877 L22: 1.6217 REMARK 3 L33: 4.5108 L12: -0.0766 REMARK 3 L13: -0.2207 L23: -2.2433 REMARK 3 S TENSOR REMARK 3 S11: 0.0932 S12: 0.0372 S13: 0.0579 REMARK 3 S21: 0.1648 S22: -0.0990 S23: 0.0491 REMARK 3 S31: -0.1293 S32: -0.1027 S33: 0.0084 REMARK 3 TLS GROUP : 110 REMARK 3 SELECTION: CHAIN 'I' AND (RESID 287 THROUGH 392 ) REMARK 3 ORIGIN FOR THE GROUP (A): -4.9504-120.3631 73.3968 REMARK 3 T TENSOR REMARK 3 T11: 0.7682 T22: 0.2277 REMARK 3 T33: 0.2210 T12: 0.0429 REMARK 3 T13: 0.0189 T23: 0.0016 REMARK 3 L TENSOR REMARK 3 L11: 0.9085 L22: 1.4403 REMARK 3 L33: 0.6934 L12: 0.0261 REMARK 3 L13: 0.0226 L23: 0.2486 REMARK 3 S TENSOR REMARK 3 S11: 0.1568 S12: -0.3011 S13: -0.0643 REMARK 3 S21: 0.4055 S22: -0.0827 S23: 0.1070 REMARK 3 S31: 0.2335 S32: -0.0585 S33: -0.0176 REMARK 3 TLS GROUP : 111 REMARK 3 SELECTION: CHAIN 'J' AND (RESID 2 THROUGH 32 ) REMARK 3 ORIGIN FOR THE GROUP (A): 30.5466-120.0011 -20.5699 REMARK 3 T TENSOR REMARK 3 T11: 0.4048 T22: 0.3177 REMARK 3 T33: 0.4733 T12: -0.1581 REMARK 3 T13: -0.0502 T23: 0.2457 REMARK 3 L TENSOR REMARK 3 L11: 0.1228 L22: 1.3804 REMARK 3 L33: 0.4725 L12: 0.4129 REMARK 3 L13: -0.2409 L23: -0.8071 REMARK 3 S TENSOR REMARK 3 S11: -0.3245 S12: 0.2627 S13: 0.2228 REMARK 3 S21: -0.0456 S22: -0.1704 S23: -0.3763 REMARK 3 S31: -0.0737 S32: 0.3989 S33: -0.1881 REMARK 3 TLS GROUP : 112 REMARK 3 SELECTION: CHAIN 'J' AND (RESID 33 THROUGH 57 ) REMARK 3 ORIGIN FOR THE GROUP (A): 26.0401-115.7013 -11.3055 REMARK 3 T TENSOR REMARK 3 T11: 0.3788 T22: 0.1241 REMARK 3 T33: 0.3721 T12: -0.1100 REMARK 3 T13: -0.2139 T23: 0.1505 REMARK 3 L TENSOR REMARK 3 L11: 0.3280 L22: 0.7504 REMARK 3 L33: 0.6552 L12: -0.1361 REMARK 3 L13: 0.0422 L23: -0.3655 REMARK 3 S TENSOR REMARK 3 S11: -0.2056 S12: -0.0354 S13: 0.1835 REMARK 3 S21: 0.2278 S22: -0.1265 S23: -0.3541 REMARK 3 S31: -0.2822 S32: 0.2534 S33: -0.2169 REMARK 3 TLS GROUP : 113 REMARK 3 SELECTION: CHAIN 'J' AND (RESID 58 THROUGH 73 ) REMARK 3 ORIGIN FOR THE GROUP (A): 21.9421-110.7638 -16.1398 REMARK 3 T TENSOR REMARK 3 T11: 0.5372 T22: 0.1765 REMARK 3 T33: 0.4611 T12: -0.2024 REMARK 3 T13: -0.2470 T23: 0.0993 REMARK 3 L TENSOR REMARK 3 L11: 1.7503 L22: 3.1263 REMARK 3 L33: 0.6419 L12: 2.2004 REMARK 3 L13: -0.1284 L23: -0.6389 REMARK 3 S TENSOR REMARK 3 S11: -0.0866 S12: -0.0450 S13: 0.1926 REMARK 3 S21: 0.0018 S22: 0.0160 S23: -0.2405 REMARK 3 S31: -0.3154 S32: 0.1797 S33: -0.1762 REMARK 3 TLS GROUP : 114 REMARK 3 SELECTION: CHAIN 'J' AND (RESID 74 THROUGH 84 ) REMARK 3 ORIGIN FOR THE GROUP (A): 25.8155-118.2393 -23.6712 REMARK 3 T TENSOR REMARK 3 T11: 0.3709 T22: 0.1955 REMARK 3 T33: 0.4932 T12: -0.1065 REMARK 3 T13: -0.0516 T23: 0.1082 REMARK 3 L TENSOR REMARK 3 L11: 2.0693 L22: 0.1114 REMARK 3 L33: 2.4244 L12: -0.3009 REMARK 3 L13: -0.4032 L23: -0.1849 REMARK 3 S TENSOR REMARK 3 S11: -0.2170 S12: 0.0856 S13: 0.0634 REMARK 3 S21: -0.0755 S22: -0.0664 S23: -0.0960 REMARK 3 S31: -0.0865 S32: 0.0684 S33: 0.0287 REMARK 3 TLS GROUP : 115 REMARK 3 SELECTION: CHAIN 'J' AND (RESID 85 THROUGH 91 ) REMARK 3 ORIGIN FOR THE GROUP (A): 33.0788-102.4907 -15.7164 REMARK 3 T TENSOR REMARK 3 T11: 0.7173 T22: 0.5521 REMARK 3 T33: 0.9168 T12: -0.3243 REMARK 3 T13: -0.4099 T23: 0.3293 REMARK 3 L TENSOR REMARK 3 L11: 0.4547 L22: 4.1233 REMARK 3 L33: 0.0429 L12: -1.3689 REMARK 3 L13: 0.1398 L23: -0.4213 REMARK 3 S TENSOR REMARK 3 S11: -0.0394 S12: -0.0600 S13: 0.3575 REMARK 3 S21: 0.3682 S22: -0.1641 S23: -0.2126 REMARK 3 S31: -0.1795 S32: 0.1485 S33: 0.1573 REMARK 3 TLS GROUP : 116 REMARK 3 SELECTION: CHAIN 'J' AND (RESID 92 THROUGH 110 ) REMARK 3 ORIGIN FOR THE GROUP (A): 29.4903-122.3076 -9.9141 REMARK 3 T TENSOR REMARK 3 T11: 0.3365 T22: 0.1601 REMARK 3 T33: 0.4243 T12: -0.1184 REMARK 3 T13: -0.0681 T23: 0.2004 REMARK 3 L TENSOR REMARK 3 L11: 1.3180 L22: 0.4467 REMARK 3 L33: 0.7109 L12: 0.3342 REMARK 3 L13: -0.2282 L23: -0.4079 REMARK 3 S TENSOR REMARK 3 S11: -0.1952 S12: 0.1262 S13: 0.1716 REMARK 3 S21: -0.1636 S22: -0.1241 S23: -0.4302 REMARK 3 S31: -0.0730 S32: 0.2706 S33: -0.1291 REMARK 3 TLS GROUP : 117 REMARK 3 SELECTION: CHAIN 'J' AND (RESID 111 THROUGH 117 ) REMARK 3 ORIGIN FOR THE GROUP (A): 39.9694-107.1363 -18.8443 REMARK 3 T TENSOR REMARK 3 T11: 0.7219 T22: 0.6451 REMARK 3 T33: 0.9518 T12: -0.2610 REMARK 3 T13: -0.1970 T23: 0.4089 REMARK 3 L TENSOR REMARK 3 L11: 0.0206 L22: 0.0894 REMARK 3 L33: 0.0754 L12: 0.0047 REMARK 3 L13: -0.0242 L23: 0.0584 REMARK 3 S TENSOR REMARK 3 S11: 0.0199 S12: 0.0497 S13: 0.2435 REMARK 3 S21: -0.1403 S22: -0.0736 S23: -0.2897 REMARK 3 S31: -0.2736 S32: 0.1487 S33: 0.0520 REMARK 3 TLS GROUP : 118 REMARK 3 SELECTION: CHAIN 'J' AND (RESID 118 THROUGH 124 ) REMARK 3 ORIGIN FOR THE GROUP (A): 53.1077 -97.7121 -22.4369 REMARK 3 T TENSOR REMARK 3 T11: 0.9676 T22: 0.8039 REMARK 3 T33: 0.9458 T12: -0.1769 REMARK 3 T13: -0.0815 T23: 0.3797 REMARK 3 L TENSOR REMARK 3 L11: 0.1263 L22: 0.0308 REMARK 3 L33: 0.4474 L12: -0.0573 REMARK 3 L13: -0.2302 L23: 0.1138 REMARK 3 S TENSOR REMARK 3 S11: 0.0097 S12: 0.1889 S13: -0.0292 REMARK 3 S21: -0.0144 S22: 0.0343 S23: -0.0794 REMARK 3 S31: 0.0047 S32: 0.1643 S33: -0.0357 REMARK 3 TLS GROUP : 119 REMARK 3 SELECTION: CHAIN 'J' AND (RESID 125 THROUGH 149 ) REMARK 3 ORIGIN FOR THE GROUP (A): 63.9558 -99.5978 -7.1147 REMARK 3 T TENSOR REMARK 3 T11: 0.5431 T22: 0.5609 REMARK 3 T33: 0.7287 T12: -0.3007 REMARK 3 T13: -0.0933 T23: 0.2338 REMARK 3 L TENSOR REMARK 3 L11: 1.6660 L22: 2.8901 REMARK 3 L33: 1.9483 L12: -0.8227 REMARK 3 L13: -0.0335 L23: -1.2513 REMARK 3 S TENSOR REMARK 3 S11: -0.0415 S12: -0.1024 S13: 0.0212 REMARK 3 S21: 0.0384 S22: 0.0634 S23: -0.0602 REMARK 3 S31: -0.0009 S32: 0.0074 S33: 0.0122 REMARK 3 TLS GROUP : 120 REMARK 3 SELECTION: CHAIN 'J' AND (RESID 150 THROUGH 154 ) REMARK 3 ORIGIN FOR THE GROUP (A): 52.8162-105.7621 -20.7568 REMARK 3 T TENSOR REMARK 3 T11: 1.0401 T22: 0.8259 REMARK 3 T33: 1.0101 T12: -0.2302 REMARK 3 T13: -0.1872 T23: 0.2174 REMARK 3 L TENSOR REMARK 3 L11: 0.0360 L22: 0.0138 REMARK 3 L33: 0.0048 L12: -0.0210 REMARK 3 L13: -0.0039 L23: 0.0013 REMARK 3 S TENSOR REMARK 3 S11: 0.0447 S12: 0.2294 S13: 0.2135 REMARK 3 S21: -0.1861 S22: -0.1010 S23: 0.0223 REMARK 3 S31: -0.1406 S32: -0.0403 S33: 0.0539 REMARK 3 TLS GROUP : 121 REMARK 3 SELECTION: CHAIN 'J' AND (RESID 155 THROUGH 159 ) REMARK 3 ORIGIN FOR THE GROUP (A): 67.6410-107.5437 -14.4143 REMARK 3 T TENSOR REMARK 3 T11: 0.7571 T22: 0.6714 REMARK 3 T33: 1.0719 T12: -0.1080 REMARK 3 T13: -0.0104 T23: 0.0120 REMARK 3 L TENSOR REMARK 3 L11: 2.0486 L22: 1.7279 REMARK 3 L33: 0.2624 L12: -0.0720 REMARK 3 L13: -0.6495 L23: -0.2494 REMARK 3 S TENSOR REMARK 3 S11: 0.0321 S12: 0.4155 S13: -0.3202 REMARK 3 S21: -0.2680 S22: 0.0390 S23: 0.1169 REMARK 3 S31: 0.1572 S32: 0.0310 S33: -0.0646 REMARK 3 TLS GROUP : 122 REMARK 3 SELECTION: CHAIN 'J' AND (RESID 160 THROUGH 164 ) REMARK 3 ORIGIN FOR THE GROUP (A): 72.7599-112.1154 -12.8077 REMARK 3 T TENSOR REMARK 3 T11: 1.1010 T22: 1.1955 REMARK 3 T33: 1.2712 T12: -0.0616 REMARK 3 T13: -0.0123 T23: 0.0241 REMARK 3 L TENSOR REMARK 3 L11: 6.9082 L22: 7.0940 REMARK 3 L33: 2.9960 L12: 6.9940 REMARK 3 L13: -4.4381 L23: -4.4792 REMARK 3 S TENSOR REMARK 3 S11: -0.1258 S12: 0.7930 S13: 0.2112 REMARK 3 S21: -0.8959 S22: 0.2430 S23: 0.0143 REMARK 3 S31: 0.2332 S32: -0.6463 S33: -0.1148 REMARK 3 TLS GROUP : 123 REMARK 3 SELECTION: CHAIN 'J' AND (RESID 165 THROUGH 174 ) REMARK 3 ORIGIN FOR THE GROUP (A): 58.3310-109.1256 -8.6420 REMARK 3 T TENSOR REMARK 3 T11: 0.7284 T22: 0.6173 REMARK 3 T33: 0.8967 T12: -0.2893 REMARK 3 T13: -0.0686 T23: 0.2990 REMARK 3 L TENSOR REMARK 3 L11: 0.7554 L22: 0.0920 REMARK 3 L33: 0.5085 L12: -0.0878 REMARK 3 L13: -0.5221 L23: 0.1628 REMARK 3 S TENSOR REMARK 3 S11: 0.0349 S12: -0.1430 S13: -0.2711 REMARK 3 S21: 0.0486 S22: 0.1303 S23: 0.0584 REMARK 3 S31: 0.0120 S32: -0.0172 S33: -0.0670 REMARK 3 TLS GROUP : 124 REMARK 3 SELECTION: CHAIN 'J' AND (RESID 175 THROUGH 212 ) REMARK 3 ORIGIN FOR THE GROUP (A): 64.6294-103.1483 -13.3136 REMARK 3 T TENSOR REMARK 3 T11: 0.7604 T22: 0.7238 REMARK 3 T33: 1.0316 T12: -0.2631 REMARK 3 T13: -0.1312 T23: 0.3356 REMARK 3 L TENSOR REMARK 3 L11: 1.3438 L22: 0.5263 REMARK 3 L33: 0.8811 L12: -0.0612 REMARK 3 L13: 0.1994 L23: -0.0785 REMARK 3 S TENSOR REMARK 3 S11: -0.0962 S12: 0.2240 S13: -0.0438 REMARK 3 S21: -0.1483 S22: 0.0615 S23: -0.0287 REMARK 3 S31: 0.0911 S32: -0.0495 S33: 0.0029 REMARK 3 TLS GROUP : 125 REMARK 3 SELECTION: CHAIN 'J' AND (RESID 213 THROUGH 217 ) REMARK 3 ORIGIN FOR THE GROUP (A): 72.3727 -96.7966 -9.4442 REMARK 3 T TENSOR REMARK 3 T11: 0.6735 T22: 0.7169 REMARK 3 T33: 0.6833 T12: -0.2419 REMARK 3 T13: -0.0720 T23: 0.2189 REMARK 3 L TENSOR REMARK 3 L11: 0.2278 L22: 0.0232 REMARK 3 L33: 1.3297 L12: 0.0727 REMARK 3 L13: 0.5486 L23: 0.1734 REMARK 3 S TENSOR REMARK 3 S11: -0.0337 S12: 0.3397 S13: -0.0228 REMARK 3 S21: -0.2147 S22: 0.0422 S23: -0.2310 REMARK 3 S31: -0.0812 S32: 0.4582 S33: -0.0194 REMARK 3 TLS GROUP : 126 REMARK 3 SELECTION: CHAIN 'K' AND (RESID 1 THROUGH 8 ) REMARK 3 ORIGIN FOR THE GROUP (A): 32.2017-112.0178 6.2349 REMARK 3 T TENSOR REMARK 3 T11: 0.6216 T22: 0.2860 REMARK 3 T33: 0.7865 T12: -0.1307 REMARK 3 T13: -0.2386 T23: 0.1189 REMARK 3 L TENSOR REMARK 3 L11: 1.3611 L22: 4.6815 REMARK 3 L33: 6.2627 L12: 2.4324 REMARK 3 L13: 0.4884 L23: -0.5555 REMARK 3 S TENSOR REMARK 3 S11: -0.3090 S12: -0.2265 S13: 0.4431 REMARK 3 S21: -0.0455 S22: 0.2419 S23: 0.4560 REMARK 3 S31: -0.5715 S32: -0.3940 S33: 0.0522 REMARK 3 TLS GROUP : 127 REMARK 3 SELECTION: CHAIN 'K' AND (RESID 9 THROUGH 23 ) REMARK 3 ORIGIN FOR THE GROUP (A): 43.0522-123.8790 10.7640 REMARK 3 T TENSOR REMARK 3 T11: 0.5979 T22: 0.3456 REMARK 3 T33: 0.6542 T12: -0.0631 REMARK 3 T13: -0.3484 T23: 0.1406 REMARK 3 L TENSOR REMARK 3 L11: 1.9630 L22: 0.7565 REMARK 3 L33: 0.0614 L12: -1.2063 REMARK 3 L13: -0.2894 L23: 0.1727 REMARK 3 S TENSOR REMARK 3 S11: -0.1362 S12: -0.2323 S13: 0.0235 REMARK 3 S21: 0.1060 S22: -0.0403 S23: -0.1779 REMARK 3 S31: -0.0790 S32: 0.1170 S33: 0.0509 REMARK 3 TLS GROUP : 128 REMARK 3 SELECTION: CHAIN 'K' AND (RESID 24 THROUGH 34 ) REMARK 3 ORIGIN FOR THE GROUP (A): 21.3507-117.5349 8.0674 REMARK 3 T TENSOR REMARK 3 T11: 0.5332 T22: 0.4361 REMARK 3 T33: 0.3694 T12: 0.1348 REMARK 3 T13: -0.0509 T23: 0.0158 REMARK 3 L TENSOR REMARK 3 L11: 3.5450 L22: 0.0877 REMARK 3 L33: 2.0709 L12: 0.5464 REMARK 3 L13: 1.7730 L23: 0.3389 REMARK 3 S TENSOR REMARK 3 S11: 0.0747 S12: -0.4920 S13: 0.5334 REMARK 3 S21: 0.3513 S22: -0.0867 S23: 0.1961 REMARK 3 S31: -0.2277 S32: -0.1270 S33: 0.0636 REMARK 3 TLS GROUP : 129 REMARK 3 SELECTION: CHAIN 'K' AND (RESID 35 THROUGH 50 ) REMARK 3 ORIGIN FOR THE GROUP (A): 36.6839-124.9486 -2.9693 REMARK 3 T TENSOR REMARK 3 T11: 0.2658 T22: 0.1507 REMARK 3 T33: 0.4310 T12: -0.1241 REMARK 3 T13: -0.1254 T23: 0.1578 REMARK 3 L TENSOR REMARK 3 L11: 0.2767 L22: 1.7346 REMARK 3 L33: 1.2417 L12: 0.1379 REMARK 3 L13: -0.1591 L23: -0.1362 REMARK 3 S TENSOR REMARK 3 S11: -0.0995 S12: 0.0302 S13: 0.0242 REMARK 3 S21: -0.1346 S22: -0.0914 S23: -0.2389 REMARK 3 S31: -0.0972 S32: 0.1963 S33: 0.0073 REMARK 3 TLS GROUP : 130 REMARK 3 SELECTION: CHAIN 'K' AND (RESID 51 THROUGH 69 ) REMARK 3 ORIGIN FOR THE GROUP (A): 31.3418-131.7330 5.3122 REMARK 3 T TENSOR REMARK 3 T11: 0.4685 T22: 0.1792 REMARK 3 T33: 0.5311 T12: -0.0909 REMARK 3 T13: -0.1289 T23: 0.1856 REMARK 3 L TENSOR REMARK 3 L11: 0.6042 L22: 0.6995 REMARK 3 L33: 1.1721 L12: 0.5795 REMARK 3 L13: -0.3141 L23: -0.6480 REMARK 3 S TENSOR REMARK 3 S11: -0.0744 S12: -0.0059 S13: 0.0367 REMARK 3 S21: 0.1675 S22: -0.0397 S23: -0.0397 REMARK 3 S31: -0.0023 S32: 0.0556 S33: -0.0811 REMARK 3 TLS GROUP : 131 REMARK 3 SELECTION: CHAIN 'K' AND (RESID 70 THROUGH 92 ) REMARK 3 ORIGIN FOR THE GROUP (A): 38.7678-124.9829 5.1815 REMARK 3 T TENSOR REMARK 3 T11: 0.4836 T22: 0.4025 REMARK 3 T33: 0.5665 T12: -0.0827 REMARK 3 T13: -0.2256 T23: 0.2432 REMARK 3 L TENSOR REMARK 3 L11: 1.5841 L22: 2.2996 REMARK 3 L33: 1.4438 L12: -0.4384 REMARK 3 L13: 1.1814 L23: -1.0852 REMARK 3 S TENSOR REMARK 3 S11: -0.0946 S12: -0.1244 S13: -0.0678 REMARK 3 S21: 0.0065 S22: -0.2260 S23: -0.3082 REMARK 3 S31: -0.0827 S32: 0.1593 S33: 0.0707 REMARK 3 TLS GROUP : 132 REMARK 3 SELECTION: CHAIN 'K' AND (RESID 93 THROUGH 113 ) REMARK 3 ORIGIN FOR THE GROUP (A): 33.1050-117.9931 1.4679 REMARK 3 T TENSOR REMARK 3 T11: 0.4846 T22: 0.0789 REMARK 3 T33: 0.5272 T12: -0.0492 REMARK 3 T13: -0.2241 T23: 0.0680 REMARK 3 L TENSOR REMARK 3 L11: 0.1169 L22: 0.9682 REMARK 3 L33: 0.6473 L12: 0.3340 REMARK 3 L13: -0.0487 L23: -0.2659 REMARK 3 S TENSOR REMARK 3 S11: -0.1990 S12: -0.0243 S13: 0.0883 REMARK 3 S21: 0.1215 S22: -0.1374 S23: -0.1871 REMARK 3 S31: -0.0955 S32: 0.1485 S33: -0.1667 REMARK 3 TLS GROUP : 133 REMARK 3 SELECTION: CHAIN 'K' AND (RESID 114 THROUGH 134 ) REMARK 3 ORIGIN FOR THE GROUP (A): 60.6527 -97.5184 -2.0506 REMARK 3 T TENSOR REMARK 3 T11: 0.5002 T22: 0.6531 REMARK 3 T33: 0.6852 T12: -0.1698 REMARK 3 T13: -0.0394 T23: 0.2770 REMARK 3 L TENSOR REMARK 3 L11: 0.6746 L22: 3.0807 REMARK 3 L33: 1.4416 L12: 0.3198 REMARK 3 L13: -0.2455 L23: -1.5026 REMARK 3 S TENSOR REMARK 3 S11: 0.1414 S12: 0.0516 S13: 0.0537 REMARK 3 S21: -0.1654 S22: 0.0911 S23: 0.0006 REMARK 3 S31: 0.0725 S32: 0.0092 S33: -0.1012 REMARK 3 TLS GROUP : 134 REMARK 3 SELECTION: CHAIN 'K' AND (RESID 135 THROUGH 155 ) REMARK 3 ORIGIN FOR THE GROUP (A): 54.7745-104.9019 2.9898 REMARK 3 T TENSOR REMARK 3 T11: 0.4763 T22: 0.6666 REMARK 3 T33: 0.9524 T12: -0.1712 REMARK 3 T13: -0.1380 T23: 0.4020 REMARK 3 L TENSOR REMARK 3 L11: 1.2335 L22: 5.5880 REMARK 3 L33: 1.0331 L12: 0.8928 REMARK 3 L13: -0.3722 L23: -1.6310 REMARK 3 S TENSOR REMARK 3 S11: 0.0252 S12: -0.2003 S13: -0.0591 REMARK 3 S21: 0.2189 S22: 0.1648 S23: 0.0096 REMARK 3 S31: -0.0206 S32: -0.0482 S33: -0.0517 REMARK 3 TLS GROUP : 135 REMARK 3 SELECTION: CHAIN 'K' AND (RESID 156 THROUGH 185 ) REMARK 3 ORIGIN FOR THE GROUP (A): 53.1120-104.5969 -0.3505 REMARK 3 T TENSOR REMARK 3 T11: 0.5276 T22: 0.7365 REMARK 3 T33: 0.8587 T12: -0.3332 REMARK 3 T13: -0.0365 T23: 0.3231 REMARK 3 L TENSOR REMARK 3 L11: 1.6885 L22: 2.7719 REMARK 3 L33: 1.2694 L12: 0.4410 REMARK 3 L13: 0.0299 L23: -0.2610 REMARK 3 S TENSOR REMARK 3 S11: 0.2151 S12: -0.0635 S13: 0.0775 REMARK 3 S21: 0.0333 S22: 0.0649 S23: 0.0036 REMARK 3 S31: -0.0198 S32: -0.1038 S33: -0.0719 REMARK 3 TLS GROUP : 136 REMARK 3 SELECTION: CHAIN 'K' AND (RESID 186 THROUGH 214 ) REMARK 3 ORIGIN FOR THE GROUP (A): 55.4276 -94.0027 5.9980 REMARK 3 T TENSOR REMARK 3 T11: 0.7267 T22: 0.6383 REMARK 3 T33: 1.0757 T12: -0.1066 REMARK 3 T13: -0.0693 T23: 0.2498 REMARK 3 L TENSOR REMARK 3 L11: 0.6864 L22: 1.2559 REMARK 3 L33: 1.0119 L12: 0.0264 REMARK 3 L13: -0.1061 L23: -0.2739 REMARK 3 S TENSOR REMARK 3 S11: 0.1129 S12: -0.0458 S13: 0.1864 REMARK 3 S21: 0.0524 S22: 0.1135 S23: 0.2425 REMARK 3 S31: -0.3381 S32: -0.2265 S33: -0.1370 REMARK 3 TLS GROUP : 137 REMARK 3 SELECTION: CHAIN 'M' AND (RESID 1 THROUGH 143 ) REMARK 3 ORIGIN FOR THE GROUP (A): -71.6938 -57.2082 64.6709 REMARK 3 T TENSOR REMARK 3 T11: 0.0047 T22: 0.7899 REMARK 3 T33: 0.2998 T12: 0.2014 REMARK 3 T13: -0.1110 T23: -0.0755 REMARK 3 L TENSOR REMARK 3 L11: 0.4831 L22: 0.0845 REMARK 3 L33: 0.9170 L12: 0.0059 REMARK 3 L13: -0.1700 L23: 0.0426 REMARK 3 S TENSOR REMARK 3 S11: -0.2773 S12: -0.0955 S13: -0.0877 REMARK 3 S21: -0.0271 S22: 0.0890 S23: -0.0048 REMARK 3 S31: 0.0024 S32: -0.4035 S33: -0.4248 REMARK 3 TLS GROUP : 138 REMARK 3 SELECTION: CHAIN 'M' AND (RESID 144 THROUGH 201 ) REMARK 3 ORIGIN FOR THE GROUP (A): -77.6752 -58.5569 38.0315 REMARK 3 T TENSOR REMARK 3 T11: 0.2933 T22: 0.8464 REMARK 3 T33: 0.4119 T12: -0.0307 REMARK 3 T13: -0.0503 T23: 0.0000 REMARK 3 L TENSOR REMARK 3 L11: 0.7351 L22: 0.7064 REMARK 3 L33: 0.9956 L12: 0.0246 REMARK 3 L13: 0.4392 L23: 0.6721 REMARK 3 S TENSOR REMARK 3 S11: -0.0259 S12: 0.2478 S13: 0.2244 REMARK 3 S21: 0.2275 S22: 0.0983 S23: -0.1433 REMARK 3 S31: 0.1600 S32: -0.2848 S33: 0.0226 REMARK 3 TLS GROUP : 139 REMARK 3 SELECTION: CHAIN 'M' AND (RESID 202 THROUGH 257 ) REMARK 3 ORIGIN FOR THE GROUP (A): -67.9872 -57.3263 77.3339 REMARK 3 T TENSOR REMARK 3 T11: 0.2361 T22: 0.7742 REMARK 3 T33: 0.3051 T12: 0.0976 REMARK 3 T13: -0.0004 T23: -0.0831 REMARK 3 L TENSOR REMARK 3 L11: 0.5348 L22: 1.2809 REMARK 3 L33: 3.0914 L12: -0.2020 REMARK 3 L13: -0.4105 L23: 0.5689 REMARK 3 S TENSOR REMARK 3 S11: -0.0110 S12: 0.0088 S13: -0.0533 REMARK 3 S21: 0.0874 S22: -0.1714 S23: 0.4153 REMARK 3 S31: 0.1243 S32: -0.3459 S33: 0.0472 REMARK 3 TLS GROUP : 140 REMARK 3 SELECTION: CHAIN 'M' AND (RESID 258 THROUGH 392 ) REMARK 3 ORIGIN FOR THE GROUP (A): -66.1660 -66.4493 19.7095 REMARK 3 T TENSOR REMARK 3 T11: 0.2781 T22: 1.3051 REMARK 3 T33: 0.3036 T12: -0.1064 REMARK 3 T13: -0.0459 T23: -0.1603 REMARK 3 L TENSOR REMARK 3 L11: 0.7892 L22: 0.3702 REMARK 3 L33: 0.5879 L12: -0.2514 REMARK 3 L13: -0.0081 L23: 0.1274 REMARK 3 S TENSOR REMARK 3 S11: -0.2172 S12: 0.8847 S13: 0.0429 REMARK 3 S21: -0.1059 S22: 0.1002 S23: -0.0931 REMARK 3 S31: 0.0502 S32: -0.1814 S33: -0.2262 REMARK 3 TLS GROUP : 141 REMARK 3 SELECTION: CHAIN 'N' AND (RESID 2 THROUGH 32 ) REMARK 3 ORIGIN FOR THE GROUP (A): -56.7974 -27.2445 104.3695 REMARK 3 T TENSOR REMARK 3 T11: 0.8607 T22: 0.8397 REMARK 3 T33: 0.6476 T12: 0.2918 REMARK 3 T13: -0.3959 T23: -0.2140 REMARK 3 L TENSOR REMARK 3 L11: 1.2884 L22: 0.4857 REMARK 3 L33: 0.0273 L12: 0.2970 REMARK 3 L13: 0.1834 L23: 0.0175 REMARK 3 S TENSOR REMARK 3 S11: -0.2930 S12: -0.0584 S13: 0.4118 REMARK 3 S21: 0.2721 S22: 0.0082 S23: -0.3105 REMARK 3 S31: -0.3106 S32: 0.0988 S33: 0.1233 REMARK 3 TLS GROUP : 142 REMARK 3 SELECTION: CHAIN 'N' AND (RESID 33 THROUGH 60 ) REMARK 3 ORIGIN FOR THE GROUP (A): -53.4320 -33.4177 95.2642 REMARK 3 T TENSOR REMARK 3 T11: 0.5284 T22: 0.5773 REMARK 3 T33: 0.4774 T12: 0.0670 REMARK 3 T13: -0.3863 T23: -0.0640 REMARK 3 L TENSOR REMARK 3 L11: 1.1450 L22: 0.8752 REMARK 3 L33: 1.0342 L12: -0.0051 REMARK 3 L13: 0.6504 L23: -0.0774 REMARK 3 S TENSOR REMARK 3 S11: -0.1409 S12: 0.2027 S13: 0.2402 REMARK 3 S21: 0.0023 S22: -0.1104 S23: -0.0712 REMARK 3 S31: -0.2569 S32: 0.2747 S33: -0.0711 REMARK 3 TLS GROUP : 143 REMARK 3 SELECTION: CHAIN 'N' AND (RESID 61 THROUGH 77 ) REMARK 3 ORIGIN FOR THE GROUP (A): -51.3382 -35.2012 102.4668 REMARK 3 T TENSOR REMARK 3 T11: 0.6923 T22: 0.7576 REMARK 3 T33: 0.5743 T12: 0.1575 REMARK 3 T13: -0.3679 T23: -0.1601 REMARK 3 L TENSOR REMARK 3 L11: 2.3608 L22: 2.5876 REMARK 3 L33: 1.3271 L12: 0.5898 REMARK 3 L13: 1.5881 L23: -0.3976 REMARK 3 S TENSOR REMARK 3 S11: -0.0781 S12: -0.0699 S13: -0.0246 REMARK 3 S21: 0.1115 S22: -0.0941 S23: -0.2290 REMARK 3 S31: -0.1219 S32: 0.2088 S33: 0.0500 REMARK 3 TLS GROUP : 144 REMARK 3 SELECTION: CHAIN 'N' AND (RESID 78 THROUGH 117 ) REMARK 3 ORIGIN FOR THE GROUP (A): -52.3668 -26.9817 97.9446 REMARK 3 T TENSOR REMARK 3 T11: 0.6337 T22: 0.8155 REMARK 3 T33: 0.7214 T12: 0.1946 REMARK 3 T13: -0.4459 T23: -0.1491 REMARK 3 L TENSOR REMARK 3 L11: 0.0800 L22: 0.2791 REMARK 3 L33: 0.4909 L12: 0.1413 REMARK 3 L13: 0.1589 L23: 0.2065 REMARK 3 S TENSOR REMARK 3 S11: -0.1226 S12: -0.0343 S13: 0.2188 REMARK 3 S21: 0.2089 S22: -0.0073 S23: -0.3264 REMARK 3 S31: -0.1894 S32: 0.3162 S33: 0.1740 REMARK 3 TLS GROUP : 145 REMARK 3 SELECTION: CHAIN 'N' AND (RESID 118 THROUGH 139 ) REMARK 3 ORIGIN FOR THE GROUP (A): -36.8153 8.6191 91.3552 REMARK 3 T TENSOR REMARK 3 T11: 1.7485 T22: 1.7956 REMARK 3 T33: 1.6427 T12: -0.0004 REMARK 3 T13: -0.3024 T23: 0.0339 REMARK 3 L TENSOR REMARK 3 L11: 1.3112 L22: 0.0396 REMARK 3 L33: 1.4543 L12: -0.2148 REMARK 3 L13: 1.3790 L23: -0.2283 REMARK 3 S TENSOR REMARK 3 S11: 0.0965 S12: 0.4756 S13: 0.5393 REMARK 3 S21: -0.2923 S22: -0.3415 S23: -0.2568 REMARK 3 S31: -0.2153 S32: 0.3036 S33: 0.3231 REMARK 3 TLS GROUP : 146 REMARK 3 SELECTION: CHAIN 'N' AND (RESID 140 THROUGH 168 ) REMARK 3 ORIGIN FOR THE GROUP (A): -42.2387 6.4598 97.8612 REMARK 3 T TENSOR REMARK 3 T11: 1.9352 T22: 1.5886 REMARK 3 T33: 1.9383 T12: -0.1463 REMARK 3 T13: -0.3022 T23: -0.1865 REMARK 3 L TENSOR REMARK 3 L11: 1.6788 L22: 0.7636 REMARK 3 L33: 0.7642 L12: -0.7821 REMARK 3 L13: -0.6029 L23: 0.7486 REMARK 3 S TENSOR REMARK 3 S11: 0.0752 S12: 0.2359 S13: 0.3133 REMARK 3 S21: -0.2359 S22: -0.0751 S23: -0.0080 REMARK 3 S31: -0.3075 S32: -0.1460 S33: 0.0010 REMARK 3 TLS GROUP : 147 REMARK 3 SELECTION: CHAIN 'N' AND (RESID 169 THROUGH 188 ) REMARK 3 ORIGIN FOR THE GROUP (A): -40.4737 -0.5075 93.6796 REMARK 3 T TENSOR REMARK 3 T11: 1.5050 T22: 1.3172 REMARK 3 T33: 1.3283 T12: 0.0046 REMARK 3 T13: -0.2702 T23: 0.0221 REMARK 3 L TENSOR REMARK 3 L11: 2.3300 L22: 4.2259 REMARK 3 L33: 3.0486 L12: 1.6564 REMARK 3 L13: -1.3522 L23: 1.6608 REMARK 3 S TENSOR REMARK 3 S11: -0.0586 S12: 0.1683 S13: 0.4378 REMARK 3 S21: 0.2219 S22: -0.0301 S23: -0.2816 REMARK 3 S31: -0.2417 S32: -0.0195 S33: 0.1266 REMARK 3 TLS GROUP : 148 REMARK 3 SELECTION: CHAIN 'N' AND (RESID 189 THROUGH 197 ) REMARK 3 ORIGIN FOR THE GROUP (A): -40.3183 24.0602 91.4531 REMARK 3 T TENSOR REMARK 3 T11: 2.1669 T22: 1.9739 REMARK 3 T33: 2.1124 T12: 0.0494 REMARK 3 T13: -0.1082 T23: 0.0643 REMARK 3 L TENSOR REMARK 3 L11: 3.9611 L22: 0.5709 REMARK 3 L33: 4.4242 L12: -0.3045 REMARK 3 L13: -4.1802 L23: 0.4050 REMARK 3 S TENSOR REMARK 3 S11: 0.0729 S12: -0.2571 S13: -0.1262 REMARK 3 S21: 0.1190 S22: -0.0137 S23: 0.2679 REMARK 3 S31: 0.1736 S32: -0.5495 S33: -0.0645 REMARK 3 TLS GROUP : 149 REMARK 3 SELECTION: CHAIN 'N' AND (RESID 198 THROUGH 217 ) REMARK 3 ORIGIN FOR THE GROUP (A): -37.4919 9.2161 103.2297 REMARK 3 T TENSOR REMARK 3 T11: 1.8142 T22: 1.7437 REMARK 3 T33: 1.6892 T12: -0.1010 REMARK 3 T13: -0.2147 T23: 0.0010 REMARK 3 L TENSOR REMARK 3 L11: 1.9910 L22: 0.0090 REMARK 3 L33: 1.3118 L12: -0.1312 REMARK 3 L13: -1.6161 L23: 0.1071 REMARK 3 S TENSOR REMARK 3 S11: 0.0097 S12: 0.2111 S13: 0.1825 REMARK 3 S21: -0.3102 S22: 0.1747 S23: 0.1524 REMARK 3 S31: -0.0120 S32: -0.1515 S33: -0.1548 REMARK 3 TLS GROUP : 150 REMARK 3 SELECTION: CHAIN 'O' AND (RESID 1 THROUGH 23 ) REMARK 3 ORIGIN FOR THE GROUP (A): -58.1460 -19.4435 74.7890 REMARK 3 T TENSOR REMARK 3 T11: 1.1567 T22: 1.0520 REMARK 3 T33: 1.1067 T12: -0.1084 REMARK 3 T13: -0.4276 T23: 0.2943 REMARK 3 L TENSOR REMARK 3 L11: 0.8505 L22: 0.5240 REMARK 3 L33: 1.2725 L12: 0.2368 REMARK 3 L13: -0.5582 L23: 0.4874 REMARK 3 S TENSOR REMARK 3 S11: -0.0229 S12: 0.1247 S13: 0.3040 REMARK 3 S21: -0.0885 S22: -0.1318 S23: -0.1411 REMARK 3 S31: -0.1715 S32: -0.0710 S33: 0.0817 REMARK 3 TLS GROUP : 151 REMARK 3 SELECTION: CHAIN 'O' AND (RESID 24 THROUGH 34 ) REMARK 3 ORIGIN FOR THE GROUP (A): -57.7721 -37.0351 76.1625 REMARK 3 T TENSOR REMARK 3 T11: 0.8466 T22: 0.8957 REMARK 3 T33: 0.4550 T12: 0.0028 REMARK 3 T13: 0.0857 T23: -0.1764 REMARK 3 L TENSOR REMARK 3 L11: 0.2428 L22: 1.5236 REMARK 3 L33: 0.2786 L12: 0.4624 REMARK 3 L13: -0.1966 L23: -0.6508 REMARK 3 S TENSOR REMARK 3 S11: -0.1205 S12: 0.5504 S13: 0.0736 REMARK 3 S21: -0.6952 S22: 0.0682 S23: -0.6557 REMARK 3 S31: -0.0811 S32: 0.4336 S33: 0.0628 REMARK 3 TLS GROUP : 152 REMARK 3 SELECTION: CHAIN 'O' AND (RESID 35 THROUGH 63 ) REMARK 3 ORIGIN FOR THE GROUP (A): -67.3864 -23.2652 85.1577 REMARK 3 T TENSOR REMARK 3 T11: 0.8211 T22: 0.7815 REMARK 3 T33: 0.7067 T12: 0.2492 REMARK 3 T13: -0.4869 T23: -0.1469 REMARK 3 L TENSOR REMARK 3 L11: 1.1719 L22: 0.3060 REMARK 3 L33: 1.4889 L12: -0.5423 REMARK 3 L13: 0.1264 L23: -0.2642 REMARK 3 S TENSOR REMARK 3 S11: -0.2842 S12: -0.0646 S13: 0.3644 REMARK 3 S21: 0.0136 S22: 0.0723 S23: 0.1805 REMARK 3 S31: -0.4239 S32: -0.2448 S33: 0.1945 REMARK 3 TLS GROUP : 153 REMARK 3 SELECTION: CHAIN 'O' AND (RESID 64 THROUGH 77 ) REMARK 3 ORIGIN FOR THE GROUP (A): -64.6307 -25.7606 73.7611 REMARK 3 T TENSOR REMARK 3 T11: 1.0007 T22: 0.9880 REMARK 3 T33: 0.7493 T12: -0.0093 REMARK 3 T13: -0.2993 T23: -0.0822 REMARK 3 L TENSOR REMARK 3 L11: 7.0512 L22: 3.3736 REMARK 3 L33: 9.1060 L12: 1.7885 REMARK 3 L13: -1.8431 L23: 1.1047 REMARK 3 S TENSOR REMARK 3 S11: -0.0291 S12: 0.1920 S13: 0.0416 REMARK 3 S21: -0.3006 S22: -0.0913 S23: -0.0898 REMARK 3 S31: -0.1467 S32: -0.0677 S33: 0.0304 REMARK 3 TLS GROUP : 154 REMARK 3 SELECTION: CHAIN 'O' AND (RESID 78 THROUGH 106 ) REMARK 3 ORIGIN FOR THE GROUP (A): -59.2976 -25.0644 83.1711 REMARK 3 T TENSOR REMARK 3 T11: 0.6650 T22: 0.7826 REMARK 3 T33: 0.6743 T12: 0.0984 REMARK 3 T13: -0.3476 T23: -0.0739 REMARK 3 L TENSOR REMARK 3 L11: 0.9772 L22: 1.5449 REMARK 3 L33: 0.7678 L12: -0.1940 REMARK 3 L13: 0.4711 L23: -0.9976 REMARK 3 S TENSOR REMARK 3 S11: -0.2957 S12: 0.0544 S13: 0.4937 REMARK 3 S21: -0.1281 S22: -0.2800 S23: -0.2949 REMARK 3 S31: -0.5946 S32: -0.0496 S33: 0.1816 REMARK 3 TLS GROUP : 155 REMARK 3 SELECTION: CHAIN 'O' AND (RESID 107 THROUGH 113 ) REMARK 3 ORIGIN FOR THE GROUP (A): -61.1962 -6.9018 78.2319 REMARK 3 T TENSOR REMARK 3 T11: 1.8506 T22: 1.6303 REMARK 3 T33: 1.9678 T12: -0.0092 REMARK 3 T13: -0.1305 T23: 0.0639 REMARK 3 L TENSOR REMARK 3 L11: 0.0015 L22: 0.0075 REMARK 3 L33: 0.0004 L12: -0.0021 REMARK 3 L13: 0.0002 L23: -0.0013 REMARK 3 S TENSOR REMARK 3 S11: -0.0673 S12: -0.2096 S13: -0.1610 REMARK 3 S21: 0.2706 S22: 0.2115 S23: 0.3947 REMARK 3 S31: -0.0068 S32: -0.1975 S33: -0.1023 REMARK 3 TLS GROUP : 156 REMARK 3 SELECTION: CHAIN 'O' AND (RESID 114 THROUGH 126 ) REMARK 3 ORIGIN FOR THE GROUP (A): -42.5868 5.6693 81.0331 REMARK 3 T TENSOR REMARK 3 T11: 1.8123 T22: 1.7545 REMARK 3 T33: 1.8228 T12: -0.0579 REMARK 3 T13: -0.2599 T23: 0.0816 REMARK 3 L TENSOR REMARK 3 L11: 4.8860 L22: 0.0448 REMARK 3 L33: 1.9153 L12: 0.4577 REMARK 3 L13: 3.0592 L23: 0.2858 REMARK 3 S TENSOR REMARK 3 S11: -0.1077 S12: -0.7014 S13: 0.4149 REMARK 3 S21: 0.3254 S22: -0.0621 S23: -0.3427 REMARK 3 S31: -0.2850 S32: 0.2109 S33: 0.1662 REMARK 3 TLS GROUP : 157 REMARK 3 SELECTION: CHAIN 'O' AND (RESID 127 THROUGH 134 ) REMARK 3 ORIGIN FOR THE GROUP (A): -23.4916 5.1018 93.7779 REMARK 3 T TENSOR REMARK 3 T11: 1.8948 T22: 1.7849 REMARK 3 T33: 1.7409 T12: -0.0173 REMARK 3 T13: -0.0461 T23: -0.0843 REMARK 3 L TENSOR REMARK 3 L11: 0.3367 L22: 0.6800 REMARK 3 L33: 0.3142 L12: -0.4785 REMARK 3 L13: -0.3253 L23: 0.4623 REMARK 3 S TENSOR REMARK 3 S11: -0.0035 S12: -0.1687 S13: 0.0668 REMARK 3 S21: 0.1989 S22: 0.0175 S23: 0.3826 REMARK 3 S31: -0.0933 S32: -0.2802 S33: -0.0013 REMARK 3 TLS GROUP : 158 REMARK 3 SELECTION: CHAIN 'O' AND (RESID 135 THROUGH 160 ) REMARK 3 ORIGIN FOR THE GROUP (A): -39.3380 -0.8525 79.2419 REMARK 3 T TENSOR REMARK 3 T11: 1.8848 T22: 1.6735 REMARK 3 T33: 1.7525 T12: 0.1048 REMARK 3 T13: -0.3327 T23: 0.1184 REMARK 3 L TENSOR REMARK 3 L11: 1.5436 L22: 0.7645 REMARK 3 L33: 0.6119 L12: 0.7549 REMARK 3 L13: -0.6153 L23: -0.1659 REMARK 3 S TENSOR REMARK 3 S11: 0.0235 S12: -0.0959 S13: 0.0379 REMARK 3 S21: 0.0211 S22: 0.0849 S23: -0.3015 REMARK 3 S31: 0.0286 S32: 0.3097 S33: -0.0285 REMARK 3 TLS GROUP : 159 REMARK 3 SELECTION: CHAIN 'O' AND (RESID 161 THROUGH 165 ) REMARK 3 ORIGIN FOR THE GROUP (A): -31.7260 -8.9159 82.7709 REMARK 3 T TENSOR REMARK 3 T11: 2.0012 T22: 2.0680 REMARK 3 T33: 2.0105 T12: -0.0192 REMARK 3 T13: 0.0424 T23: -0.0301 REMARK 3 L TENSOR REMARK 3 L11: 0.0003 L22: 0.0001 REMARK 3 L33: 0.0001 L12: 0.0001 REMARK 3 L13: 0.0001 L23: 0.0001 REMARK 3 S TENSOR REMARK 3 S11: 0.2364 S12: 0.3390 S13: 0.4448 REMARK 3 S21: -0.5829 S22: 0.0495 S23: -0.5794 REMARK 3 S31: -0.0675 S32: 0.5046 S33: -0.2884 REMARK 3 TLS GROUP : 160 REMARK 3 SELECTION: CHAIN 'O' AND (RESID 166 THROUGH 185 ) REMARK 3 ORIGIN FOR THE GROUP (A): -46.4026 -1.4286 86.3961 REMARK 3 T TENSOR REMARK 3 T11: 1.5312 T22: 1.4124 REMARK 3 T33: 1.3952 T12: 0.0106 REMARK 3 T13: -0.1609 T23: 0.0143 REMARK 3 L TENSOR REMARK 3 L11: 2.2667 L22: 2.4071 REMARK 3 L33: 2.2755 L12: -1.2538 REMARK 3 L13: 1.9536 L23: -0.0733 REMARK 3 S TENSOR REMARK 3 S11: 0.0971 S12: 0.5103 S13: 0.3444 REMARK 3 S21: -0.1061 S22: -0.0735 S23: -0.3086 REMARK 3 S31: -0.0181 S32: 0.3505 S33: -0.0316 REMARK 3 TLS GROUP : 161 REMARK 3 SELECTION: CHAIN 'O' AND (RESID 186 THROUGH 192 ) REMARK 3 ORIGIN FOR THE GROUP (A): -20.8708 2.2087 83.5330 REMARK 3 T TENSOR REMARK 3 T11: 2.3380 T22: 2.4159 REMARK 3 T33: 2.3618 T12: -0.0179 REMARK 3 T13: -0.0625 T23: 0.0244 REMARK 3 L TENSOR REMARK 3 L11: 0.1184 L22: 0.7596 REMARK 3 L33: 0.8293 L12: 0.2984 REMARK 3 L13: 0.3133 L23: 0.7902 REMARK 3 S TENSOR REMARK 3 S11: 0.0580 S12: -0.0209 S13: 0.1645 REMARK 3 S21: 0.0631 S22: 0.1221 S23: 1.0710 REMARK 3 S31: -0.3610 S32: -0.9643 S33: -0.1814 REMARK 3 TLS GROUP : 162 REMARK 3 SELECTION: CHAIN 'O' AND (RESID 193 THROUGH 208 ) REMARK 3 ORIGIN FOR THE GROUP (A): -37.4467 1.3293 74.0173 REMARK 3 T TENSOR REMARK 3 T11: 2.2289 T22: 2.2740 REMARK 3 T33: 2.1826 T12: -0.0734 REMARK 3 T13: -0.0447 T23: -0.0224 REMARK 3 L TENSOR REMARK 3 L11: 4.7573 L22: 2.7418 REMARK 3 L33: 1.0824 L12: 3.6118 REMARK 3 L13: -2.2686 L23: -1.7226 REMARK 3 S TENSOR REMARK 3 S11: 0.2536 S12: -0.7006 S13: -0.2800 REMARK 3 S21: 0.4050 S22: -0.1693 S23: -0.3873 REMARK 3 S31: -0.0026 S32: 0.2845 S33: -0.1118 REMARK 3 TLS GROUP : 163 REMARK 3 SELECTION: CHAIN 'O' AND (RESID 209 THROUGH 217 ) REMARK 3 ORIGIN FOR THE GROUP (A): -25.9523 11.9675 81.3409 REMARK 3 T TENSOR REMARK 3 T11: 2.0184 T22: 2.0567 REMARK 3 T33: 2.0760 T12: -0.1114 REMARK 3 T13: -0.1338 T23: -0.0097 REMARK 3 L TENSOR REMARK 3 L11: 4.9232 L22: 2.6373 REMARK 3 L33: 6.5769 L12: 3.6022 REMARK 3 L13: 5.6902 L23: 4.1625 REMARK 3 S TENSOR REMARK 3 S11: 0.1473 S12: 0.1536 S13: -0.2558 REMARK 3 S21: -0.0563 S22: -0.0031 S23: 0.1148 REMARK 3 S31: 0.2689 S32: -0.1452 S33: -0.1382 REMARK 3 TLS GROUP : 164 REMARK 3 SELECTION: CHAIN 'P' AND (RESID 1 THROUGH 26 ) REMARK 3 ORIGIN FOR THE GROUP (A): -45.0847 -69.7242 114.2992 REMARK 3 T TENSOR REMARK 3 T11: 0.3572 T22: 0.6900 REMARK 3 T33: 0.3764 T12: 0.2245 REMARK 3 T13: 0.0588 T23: 0.0735 REMARK 3 L TENSOR REMARK 3 L11: 2.9364 L22: 1.6698 REMARK 3 L33: 0.4608 L12: -0.2845 REMARK 3 L13: -0.5813 L23: 0.8082 REMARK 3 S TENSOR REMARK 3 S11: -0.0854 S12: -0.3718 S13: -0.5038 REMARK 3 S21: 0.3669 S22: 0.0861 S23: -0.1652 REMARK 3 S31: 0.1826 S32: 0.1142 S33: -0.0464 REMARK 3 TLS GROUP : 165 REMARK 3 SELECTION: CHAIN 'P' AND (RESID 27 THROUGH 143 ) REMARK 3 ORIGIN FOR THE GROUP (A): -44.3056 -60.8358 70.4457 REMARK 3 T TENSOR REMARK 3 T11: 0.2006 T22: 0.3777 REMARK 3 T33: 0.2152 T12: 0.1330 REMARK 3 T13: 0.0155 T23: -0.0166 REMARK 3 L TENSOR REMARK 3 L11: 0.3585 L22: 0.0415 REMARK 3 L33: 1.0776 L12: 0.0234 REMARK 3 L13: -0.1749 L23: 0.0406 REMARK 3 S TENSOR REMARK 3 S11: -0.1521 S12: -0.1821 S13: 0.0318 REMARK 3 S21: 0.0250 S22: -0.0024 S23: 0.0665 REMARK 3 S31: 0.0112 S32: -0.0547 S33: -0.0724 REMARK 3 TLS GROUP : 166 REMARK 3 SELECTION: CHAIN 'P' AND (RESID 144 THROUGH 201 ) REMARK 3 ORIGIN FOR THE GROUP (A): -38.6204 -61.5287 104.7255 REMARK 3 T TENSOR REMARK 3 T11: 0.2412 T22: 0.7834 REMARK 3 T33: 0.3678 T12: 0.1556 REMARK 3 T13: -0.0087 T23: -0.0784 REMARK 3 L TENSOR REMARK 3 L11: 0.1261 L22: 0.2516 REMARK 3 L33: 1.9682 L12: 0.0234 REMARK 3 L13: 0.0444 L23: -0.1427 REMARK 3 S TENSOR REMARK 3 S11: 0.0997 S12: -0.2338 S13: 0.1858 REMARK 3 S21: -0.0513 S22: 0.2355 S23: -0.0095 REMARK 3 S31: -0.0104 S32: 0.0307 S33: -0.0625 REMARK 3 TLS GROUP : 167 REMARK 3 SELECTION: CHAIN 'P' AND (RESID 202 THROUGH 257 ) REMARK 3 ORIGIN FOR THE GROUP (A): -48.8940 -62.9988 65.6646 REMARK 3 T TENSOR REMARK 3 T11: 0.2144 T22: 0.4123 REMARK 3 T33: 0.2204 T12: 0.0893 REMARK 3 T13: 0.0164 T23: -0.0164 REMARK 3 L TENSOR REMARK 3 L11: 0.2132 L22: 0.3320 REMARK 3 L33: 2.5508 L12: 0.1702 REMARK 3 L13: -0.6540 L23: -0.2159 REMARK 3 S TENSOR REMARK 3 S11: -0.1015 S12: -0.1924 S13: -0.1794 REMARK 3 S21: -0.0305 S22: 0.0202 S23: -0.0154 REMARK 3 S31: 0.1071 S32: -0.1149 S33: 0.0379 REMARK 3 TLS GROUP : 168 REMARK 3 SELECTION: CHAIN 'P' AND (RESID 258 THROUGH 286 ) REMARK 3 ORIGIN FOR THE GROUP (A): -43.2868 -63.9821 95.2413 REMARK 3 T TENSOR REMARK 3 T11: 0.2766 T22: 0.6215 REMARK 3 T33: 0.3059 T12: 0.2463 REMARK 3 T13: 0.0501 T23: -0.0208 REMARK 3 L TENSOR REMARK 3 L11: 1.4143 L22: 0.4917 REMARK 3 L33: 3.9003 L12: -0.4877 REMARK 3 L13: 1.8295 L23: -0.9832 REMARK 3 S TENSOR REMARK 3 S11: -0.0143 S12: -0.1175 S13: 0.0511 REMARK 3 S21: 0.0560 S22: 0.1279 S23: 0.0582 REMARK 3 S31: 0.0141 S32: -0.1705 S33: -0.0353 REMARK 3 TLS GROUP : 169 REMARK 3 SELECTION: CHAIN 'P' AND (RESID 287 THROUGH 347 ) REMARK 3 ORIGIN FOR THE GROUP (A): -51.0188 -58.6646 131.5100 REMARK 3 T TENSOR REMARK 3 T11: 0.4541 T22: 0.9228 REMARK 3 T33: 0.2110 T12: 0.2352 REMARK 3 T13: 0.0678 T23: 0.0272 REMARK 3 L TENSOR REMARK 3 L11: 0.8924 L22: 0.4137 REMARK 3 L33: 0.7009 L12: -0.1996 REMARK 3 L13: -0.2990 L23: 0.1275 REMARK 3 S TENSOR REMARK 3 S11: 0.0449 S12: -0.5576 S13: 0.0328 REMARK 3 S21: 0.3413 S22: 0.1830 S23: -0.0992 REMARK 3 S31: 0.0950 S32: 0.3751 S33: 0.0057 REMARK 3 TLS GROUP : 170 REMARK 3 SELECTION: CHAIN 'P' AND (RESID 348 THROUGH 392 ) REMARK 3 ORIGIN FOR THE GROUP (A): -55.7219 -60.1586 130.0762 REMARK 3 T TENSOR REMARK 3 T11: 0.3076 T22: 0.9208 REMARK 3 T33: 0.2252 T12: 0.2225 REMARK 3 T13: 0.0171 T23: 0.0046 REMARK 3 L TENSOR REMARK 3 L11: 1.8026 L22: 1.1202 REMARK 3 L33: 1.8134 L12: -0.1205 REMARK 3 L13: -0.8392 L23: -0.5445 REMARK 3 S TENSOR REMARK 3 S11: 0.0364 S12: -0.1014 S13: -0.0752 REMARK 3 S21: 0.1446 S22: 0.1777 S23: -0.0196 REMARK 3 S31: 0.0268 S32: 0.1072 S33: -0.0833 REMARK 3 TLS GROUP : 171 REMARK 3 SELECTION: CHAIN 'Q' AND (RESID 2 THROUGH 16 ) REMARK 3 ORIGIN FOR THE GROUP (A): -46.5203 -28.7584 33.6613 REMARK 3 T TENSOR REMARK 3 T11: 0.3758 T22: 0.2070 REMARK 3 T33: 0.3570 T12: 0.1443 REMARK 3 T13: 0.0490 T23: 0.0095 REMARK 3 L TENSOR REMARK 3 L11: 0.0773 L22: 0.8791 REMARK 3 L33: 1.1093 L12: 0.2476 REMARK 3 L13: -0.1586 L23: -0.2507 REMARK 3 S TENSOR REMARK 3 S11: 0.0757 S12: 0.3177 S13: 0.0617 REMARK 3 S21: -0.3377 S22: -0.1211 S23: -0.2962 REMARK 3 S31: 0.0496 S32: -0.0364 S33: -0.0137 REMARK 3 TLS GROUP : 172 REMARK 3 SELECTION: CHAIN 'Q' AND (RESID 17 THROUGH 32 ) REMARK 3 ORIGIN FOR THE GROUP (A): -42.9892 -41.4787 34.6572 REMARK 3 T TENSOR REMARK 3 T11: 0.4315 T22: 0.2382 REMARK 3 T33: 0.3545 T12: 0.0778 REMARK 3 T13: 0.1406 T23: -0.0051 REMARK 3 L TENSOR REMARK 3 L11: 0.9744 L22: 3.1849 REMARK 3 L33: 0.2375 L12: -1.5881 REMARK 3 L13: -0.0216 L23: -0.2271 REMARK 3 S TENSOR REMARK 3 S11: -0.0071 S12: 0.2153 S13: 0.0069 REMARK 3 S21: -0.3922 S22: -0.1084 S23: -0.0935 REMARK 3 S31: 0.0787 S32: 0.1023 S33: 0.0251 REMARK 3 TLS GROUP : 173 REMARK 3 SELECTION: CHAIN 'Q' AND (RESID 33 THROUGH 60 ) REMARK 3 ORIGIN FOR THE GROUP (A): -49.9547 -38.0670 44.0683 REMARK 3 T TENSOR REMARK 3 T11: 0.0711 T22: 0.1690 REMARK 3 T33: 0.1660 T12: 0.0733 REMARK 3 T13: -0.0833 T23: -0.0399 REMARK 3 L TENSOR REMARK 3 L11: 1.4972 L22: 0.9345 REMARK 3 L33: 0.6115 L12: 0.0774 REMARK 3 L13: 0.2983 L23: -0.4781 REMARK 3 S TENSOR REMARK 3 S11: -0.0868 S12: -0.1288 S13: 0.3143 REMARK 3 S21: 0.0890 S22: 0.0204 S23: 0.0357 REMARK 3 S31: -0.1398 S32: -0.1107 S33: 0.0189 REMARK 3 TLS GROUP : 174 REMARK 3 SELECTION: CHAIN 'Q' AND (RESID 61 THROUGH 84 ) REMARK 3 ORIGIN FOR THE GROUP (A): -52.7332 -38.4119 35.8287 REMARK 3 T TENSOR REMARK 3 T11: 0.2711 T22: 0.1735 REMARK 3 T33: 0.2379 T12: 0.1214 REMARK 3 T13: -0.0015 T23: 0.0122 REMARK 3 L TENSOR REMARK 3 L11: 1.4643 L22: 2.4327 REMARK 3 L33: 0.6809 L12: -0.9172 REMARK 3 L13: 0.5300 L23: 0.2672 REMARK 3 S TENSOR REMARK 3 S11: -0.0706 S12: -0.1007 S13: -0.1273 REMARK 3 S21: -0.2370 S22: 0.0211 S23: 0.0872 REMARK 3 S31: 0.0104 S32: -0.2038 S33: 0.0621 REMARK 3 TLS GROUP : 175 REMARK 3 SELECTION: CHAIN 'Q' AND (RESID 85 THROUGH 117 ) REMARK 3 ORIGIN FOR THE GROUP (A): -46.6325 -31.7651 42.1261 REMARK 3 T TENSOR REMARK 3 T11: 0.1870 T22: 0.1652 REMARK 3 T33: 0.2633 T12: 0.1287 REMARK 3 T13: -0.0591 T23: -0.0131 REMARK 3 L TENSOR REMARK 3 L11: 0.2384 L22: 2.2701 REMARK 3 L33: 0.8650 L12: -0.5392 REMARK 3 L13: 0.2507 L23: -1.0979 REMARK 3 S TENSOR REMARK 3 S11: 0.0243 S12: 0.0660 S13: 0.1594 REMARK 3 S21: -0.0641 S22: -0.0922 S23: -0.2708 REMARK 3 S31: -0.2610 S32: -0.1009 S33: 0.0510 REMARK 3 TLS GROUP : 176 REMARK 3 SELECTION: CHAIN 'Q' AND (RESID 118 THROUGH 128 ) REMARK 3 ORIGIN FOR THE GROUP (A): -50.9189 0.5746 36.7065 REMARK 3 T TENSOR REMARK 3 T11: 0.5446 T22: 0.3756 REMARK 3 T33: 0.6243 T12: 0.1878 REMARK 3 T13: -0.2477 T23: 0.0064 REMARK 3 L TENSOR REMARK 3 L11: 0.5776 L22: 2.5232 REMARK 3 L33: 0.1485 L12: -0.2281 REMARK 3 L13: -0.1262 L23: 0.0302 REMARK 3 S TENSOR REMARK 3 S11: -0.0845 S12: -0.0832 S13: 0.1979 REMARK 3 S21: 0.0951 S22: 0.0317 S23: -0.1584 REMARK 3 S31: -0.1115 S32: 0.0079 S33: 0.0487 REMARK 3 TLS GROUP : 177 REMARK 3 SELECTION: CHAIN 'Q' AND (RESID 129 THROUGH 139 ) REMARK 3 ORIGIN FOR THE GROUP (A): -35.2394 12.2081 55.5168 REMARK 3 T TENSOR REMARK 3 T11: 1.2740 T22: 1.5120 REMARK 3 T33: 1.3167 T12: 0.0028 REMARK 3 T13: -0.1066 T23: -0.0483 REMARK 3 L TENSOR REMARK 3 L11: 0.0009 L22: 0.1978 REMARK 3 L33: 0.4088 L12: -0.0062 REMARK 3 L13: 0.0076 L23: -0.2837 REMARK 3 S TENSOR REMARK 3 S11: 0.1156 S12: -1.0887 S13: -0.2374 REMARK 3 S21: 0.7869 S22: 0.0088 S23: -0.5233 REMARK 3 S31: -0.0340 S32: 0.1064 S33: -0.1337 REMARK 3 TLS GROUP : 178 REMARK 3 SELECTION: CHAIN 'Q' AND (RESID 140 THROUGH 154 ) REMARK 3 ORIGIN FOR THE GROUP (A): -45.4596 -1.0406 39.0944 REMARK 3 T TENSOR REMARK 3 T11: 0.4687 T22: 0.3555 REMARK 3 T33: 0.6751 T12: 0.1617 REMARK 3 T13: -0.1741 T23: -0.0091 REMARK 3 L TENSOR REMARK 3 L11: 1.9156 L22: 4.3949 REMARK 3 L33: 4.0241 L12: 1.4416 REMARK 3 L13: 1.2641 L23: 2.6728 REMARK 3 S TENSOR REMARK 3 S11: -0.0694 S12: 0.0372 S13: 0.0759 REMARK 3 S21: 0.0547 S22: 0.0513 S23: -0.3120 REMARK 3 S31: -0.2021 S32: 0.2773 S33: -0.0861 REMARK 3 TLS GROUP : 179 REMARK 3 SELECTION: CHAIN 'Q' AND (RESID 155 THROUGH 163 ) REMARK 3 ORIGIN FOR THE GROUP (A): -34.7801 6.3133 35.6456 REMARK 3 T TENSOR REMARK 3 T11: 0.9030 T22: 0.7492 REMARK 3 T33: 0.8723 T12: -0.1525 REMARK 3 T13: 0.0753 T23: -0.0570 REMARK 3 L TENSOR REMARK 3 L11: 0.2703 L22: 3.7214 REMARK 3 L33: 0.0621 L12: 1.0016 REMARK 3 L13: -0.1274 L23: -0.4669 REMARK 3 S TENSOR REMARK 3 S11: -0.0630 S12: 0.0553 S13: -0.1568 REMARK 3 S21: -0.1049 S22: 0.0551 S23: -0.7962 REMARK 3 S31: -0.2481 S32: 0.6890 S33: -0.0163 REMARK 3 TLS GROUP : 180 REMARK 3 SELECTION: CHAIN 'Q' AND (RESID 164 THROUGH 173 ) REMARK 3 ORIGIN FOR THE GROUP (A): -36.0498 -1.0072 43.5124 REMARK 3 T TENSOR REMARK 3 T11: 0.4822 T22: 0.3516 REMARK 3 T33: 0.7388 T12: 0.1208 REMARK 3 T13: -0.1918 T23: -0.0199 REMARK 3 L TENSOR REMARK 3 L11: 2.6680 L22: 3.6116 REMARK 3 L33: 3.5114 L12: 1.9924 REMARK 3 L13: -1.3598 L23: -0.8799 REMARK 3 S TENSOR REMARK 3 S11: 0.0660 S12: -0.0995 S13: 0.3159 REMARK 3 S21: 0.0570 S22: -0.0719 S23: -0.4783 REMARK 3 S31: -0.4293 S32: 0.4200 S33: 0.0274 REMARK 3 TLS GROUP : 181 REMARK 3 SELECTION: CHAIN 'Q' AND (RESID 174 THROUGH 179 ) REMARK 3 ORIGIN FOR THE GROUP (A): -53.5717 -9.7372 41.7376 REMARK 3 T TENSOR REMARK 3 T11: 0.3852 T22: 0.4225 REMARK 3 T33: 0.5633 T12: 0.0587 REMARK 3 T13: -0.1032 T23: -0.0559 REMARK 3 L TENSOR REMARK 3 L11: 6.0072 L22: 3.7451 REMARK 3 L33: 1.0995 L12: -3.0298 REMARK 3 L13: 1.5696 L23: -1.1737 REMARK 3 S TENSOR REMARK 3 S11: 0.0069 S12: -0.0868 S13: 0.2173 REMARK 3 S21: 0.1124 S22: 0.0019 S23: 0.3182 REMARK 3 S31: -0.2616 S32: -0.3209 S33: -0.0003 REMARK 3 TLS GROUP : 182 REMARK 3 SELECTION: CHAIN 'Q' AND (RESID 180 THROUGH 188 ) REMARK 3 ORIGIN FOR THE GROUP (A): -40.4122 1.3213 43.5317 REMARK 3 T TENSOR REMARK 3 T11: 0.5082 T22: 0.2946 REMARK 3 T33: 0.7706 T12: 0.1178 REMARK 3 T13: -0.0915 T23: -0.0107 REMARK 3 L TENSOR REMARK 3 L11: 1.1524 L22: 1.3136 REMARK 3 L33: 1.9481 L12: -0.6754 REMARK 3 L13: -0.6883 L23: -0.4331 REMARK 3 S TENSOR REMARK 3 S11: 0.0882 S12: -0.1766 S13: 0.2676 REMARK 3 S21: 0.1407 S22: 0.0771 S23: -0.2303 REMARK 3 S31: -0.1624 S32: 0.1556 S33: -0.0532 REMARK 3 TLS GROUP : 183 REMARK 3 SELECTION: CHAIN 'Q' AND (RESID 189 THROUGH 217 ) REMARK 3 ORIGIN FOR THE GROUP (A): -40.6575 9.8614 36.7329 REMARK 3 T TENSOR REMARK 3 T11: 0.8309 T22: 0.4946 REMARK 3 T33: 1.0829 T12: -0.0488 REMARK 3 T13: -0.0679 T23: 0.0890 REMARK 3 L TENSOR REMARK 3 L11: 0.9223 L22: 1.4151 REMARK 3 L33: 0.8148 L12: -0.5272 REMARK 3 L13: -0.3888 L23: -0.6287 REMARK 3 S TENSOR REMARK 3 S11: -0.0895 S12: -0.0240 S13: 0.3637 REMARK 3 S21: -0.1909 S22: 0.1126 S23: -0.1458 REMARK 3 S31: -0.4549 S32: 0.3704 S33: -0.0210 REMARK 3 TLS GROUP : 184 REMARK 3 SELECTION: CHAIN 'R' AND (RESID 1 THROUGH 8 ) REMARK 3 ORIGIN FOR THE GROUP (A): -46.9488 -28.6058 60.4117 REMARK 3 T TENSOR REMARK 3 T11: 0.3797 T22: 0.3177 REMARK 3 T33: 0.7333 T12: 0.0929 REMARK 3 T13: -0.1264 T23: -0.1078 REMARK 3 L TENSOR REMARK 3 L11: 0.8826 L22: 4.9761 REMARK 3 L33: 6.4264 L12: -2.0631 REMARK 3 L13: -0.1007 L23: -0.7567 REMARK 3 S TENSOR REMARK 3 S11: 0.0303 S12: -0.0261 S13: -0.0142 REMARK 3 S21: 0.1643 S22: -0.1692 S23: 0.7149 REMARK 3 S31: 0.4277 S32: -0.5272 S33: 0.0481 REMARK 3 TLS GROUP : 185 REMARK 3 SELECTION: CHAIN 'R' AND (RESID 9 THROUGH 23 ) REMARK 3 ORIGIN FOR THE GROUP (A): -30.8562 -25.0450 63.0575 REMARK 3 T TENSOR REMARK 3 T11: 0.5595 T22: 0.3787 REMARK 3 T33: 0.8801 T12: 0.1285 REMARK 3 T13: -0.3830 T23: -0.2249 REMARK 3 L TENSOR REMARK 3 L11: 1.5984 L22: 1.2501 REMARK 3 L33: 0.7097 L12: 1.3492 REMARK 3 L13: -0.7443 L23: -0.5212 REMARK 3 S TENSOR REMARK 3 S11: 0.0046 S12: -0.1327 S13: 0.1216 REMARK 3 S21: 0.1381 S22: -0.0513 S23: -0.2140 REMARK 3 S31: -0.2045 S32: 0.0944 S33: -0.0088 REMARK 3 TLS GROUP : 186 REMARK 3 SELECTION: CHAIN 'R' AND (RESID 24 THROUGH 34 ) REMARK 3 ORIGIN FOR THE GROUP (A): -47.2134 -40.7781 63.7188 REMARK 3 T TENSOR REMARK 3 T11: 0.6418 T22: 0.5710 REMARK 3 T33: 0.2448 T12: 0.0913 REMARK 3 T13: -0.0742 T23: -0.0965 REMARK 3 L TENSOR REMARK 3 L11: 0.4219 L22: 4.0940 REMARK 3 L33: 0.6705 L12: 1.3133 REMARK 3 L13: 0.5318 L23: 1.6536 REMARK 3 S TENSOR REMARK 3 S11: -0.0187 S12: -0.4695 S13: 0.2245 REMARK 3 S21: 0.5394 S22: 0.0124 S23: 0.3094 REMARK 3 S31: -0.1609 S32: -0.0928 S33: 0.0144 REMARK 3 TLS GROUP : 187 REMARK 3 SELECTION: CHAIN 'R' AND (RESID 35 THROUGH 63 ) REMARK 3 ORIGIN FOR THE GROUP (A): -32.2230 -35.9286 53.0598 REMARK 3 T TENSOR REMARK 3 T11: 0.2309 T22: 0.2407 REMARK 3 T33: 0.6345 T12: 0.1341 REMARK 3 T13: -0.2110 T23: 0.0191 REMARK 3 L TENSOR REMARK 3 L11: 0.9136 L22: 0.9951 REMARK 3 L33: 0.5967 L12: -0.3211 REMARK 3 L13: 0.1236 L23: -0.4006 REMARK 3 S TENSOR REMARK 3 S11: -0.0397 S12: -0.0202 S13: 0.0703 REMARK 3 S21: 0.0621 S22: -0.0317 S23: -0.2721 REMARK 3 S31: 0.0078 S32: 0.1544 S33: 0.1749 REMARK 3 TLS GROUP : 188 REMARK 3 SELECTION: CHAIN 'R' AND (RESID 64 THROUGH 71 ) REMARK 3 ORIGIN FOR THE GROUP (A): -36.0686 -36.8978 65.0465 REMARK 3 T TENSOR REMARK 3 T11: 0.6339 T22: 0.3880 REMARK 3 T33: 0.6345 T12: 0.0975 REMARK 3 T13: -0.2988 T23: -0.1136 REMARK 3 L TENSOR REMARK 3 L11: 8.4380 L22: 2.6817 REMARK 3 L33: 4.0686 L12: -0.3297 REMARK 3 L13: -2.5344 L23: -0.0546 REMARK 3 S TENSOR REMARK 3 S11: -0.0456 S12: -0.3197 S13: -0.1603 REMARK 3 S21: 0.2412 S22: 0.0228 S23: 0.1764 REMARK 3 S31: 0.0787 S32: -0.0868 S33: 0.0332 REMARK 3 TLS GROUP : 189 REMARK 3 SELECTION: CHAIN 'R' AND (RESID 72 THROUGH 78 ) REMARK 3 ORIGIN FOR THE GROUP (A): -32.5206 -32.2622 63.3248 REMARK 3 T TENSOR REMARK 3 T11: 0.5529 T22: 0.2875 REMARK 3 T33: 0.5557 T12: 0.1438 REMARK 3 T13: -0.3171 T23: -0.0474 REMARK 3 L TENSOR REMARK 3 L11: 2.3388 L22: 2.5822 REMARK 3 L33: 1.5810 L12: -1.5623 REMARK 3 L13: 0.6676 L23: -1.0050 REMARK 3 S TENSOR REMARK 3 S11: -0.0930 S12: -0.1359 S13: 0.1064 REMARK 3 S21: 0.0980 S22: 0.0805 S23: -0.0541 REMARK 3 S31: -0.0244 S32: 0.0445 S33: 0.0445 REMARK 3 TLS GROUP : 190 REMARK 3 SELECTION: CHAIN 'R' AND (RESID 79 THROUGH 86 ) REMARK 3 ORIGIN FOR THE GROUP (A): -24.5464 -25.1724 54.1264 REMARK 3 T TENSOR REMARK 3 T11: 0.5716 T22: 0.4486 REMARK 3 T33: 0.9672 T12: -0.0992 REMARK 3 T13: -0.1957 T23: 0.1162 REMARK 3 L TENSOR REMARK 3 L11: 4.3534 L22: 0.5684 REMARK 3 L33: 3.7142 L12: 0.7631 REMARK 3 L13: 2.7093 L23: -0.4630 REMARK 3 S TENSOR REMARK 3 S11: 0.0556 S12: 0.4056 S13: -0.0511 REMARK 3 S21: -0.3629 S22: -0.0690 S23: -0.1681 REMARK 3 S31: 0.1638 S32: 0.2882 S33: 0.0016 REMARK 3 TLS GROUP : 191 REMARK 3 SELECTION: CHAIN 'R' AND (RESID 87 THROUGH 106 ) REMARK 3 ORIGIN FOR THE GROUP (A): -45.6874 -35.5795 54.8515 REMARK 3 T TENSOR REMARK 3 T11: 0.1746 T22: 0.3345 REMARK 3 T33: 0.3269 T12: 0.1699 REMARK 3 T13: -0.0673 T23: 0.0190 REMARK 3 L TENSOR REMARK 3 L11: 0.0983 L22: 1.4332 REMARK 3 L33: 0.5455 L12: 0.1504 REMARK 3 L13: 0.1468 L23: -0.0928 REMARK 3 S TENSOR REMARK 3 S11: -0.0554 S12: -0.0180 S13: 0.3139 REMARK 3 S21: 0.0626 S22: 0.0112 S23: 0.0706 REMARK 3 S31: -0.0397 S32: 0.0122 S33: 0.0213 REMARK 3 TLS GROUP : 192 REMARK 3 SELECTION: CHAIN 'R' AND (RESID 107 THROUGH 113 ) REMARK 3 ORIGIN FOR THE GROUP (A): -27.4869 -18.1612 56.4004 REMARK 3 T TENSOR REMARK 3 T11: 0.7888 T22: 0.4256 REMARK 3 T33: 1.1752 T12: -0.0239 REMARK 3 T13: -0.3995 T23: 0.1011 REMARK 3 L TENSOR REMARK 3 L11: 1.6671 L22: 1.1172 REMARK 3 L33: 2.3738 L12: 0.1848 REMARK 3 L13: 1.3651 L23: 0.7478 REMARK 3 S TENSOR REMARK 3 S11: -0.0753 S12: 0.2223 S13: 0.0751 REMARK 3 S21: -0.1234 S22: 0.1146 S23: -0.4019 REMARK 3 S31: -0.2663 S32: 0.2311 S33: 0.0071 REMARK 3 TLS GROUP : 193 REMARK 3 SELECTION: CHAIN 'R' AND (RESID 114 THROUGH 126 ) REMARK 3 ORIGIN FOR THE GROUP (A): -38.8771 0.6409 55.2744 REMARK 3 T TENSOR REMARK 3 T11: 0.7302 T22: 0.4289 REMARK 3 T33: 0.9617 T12: 0.1052 REMARK 3 T13: -0.3867 T23: -0.1605 REMARK 3 L TENSOR REMARK 3 L11: 2.8332 L22: 0.5925 REMARK 3 L33: 0.7237 L12: -0.1051 REMARK 3 L13: -0.5866 L23: 0.6139 REMARK 3 S TENSOR REMARK 3 S11: 0.0784 S12: -0.0811 S13: -0.1121 REMARK 3 S21: 0.0830 S22: 0.0214 S23: -0.0488 REMARK 3 S31: 0.0517 S32: 0.0137 S33: -0.0412 REMARK 3 TLS GROUP : 194 REMARK 3 SELECTION: CHAIN 'R' AND (RESID 127 THROUGH 134 ) REMARK 3 ORIGIN FOR THE GROUP (A): -56.8465 9.2292 43.7782 REMARK 3 T TENSOR REMARK 3 T11: 0.7144 T22: 0.6565 REMARK 3 T33: 0.9500 T12: 0.2454 REMARK 3 T13: -0.1433 T23: -0.0306 REMARK 3 L TENSOR REMARK 3 L11: 6.2172 L22: 4.4171 REMARK 3 L33: 1.6096 L12: 4.9334 REMARK 3 L13: 0.3042 L23: 1.1351 REMARK 3 S TENSOR REMARK 3 S11: -0.1219 S12: 0.4647 S13: 0.4605 REMARK 3 S21: -0.3859 S22: 0.0741 S23: 0.3407 REMARK 3 S31: -0.2401 S32: -0.2214 S33: 0.0095 REMARK 3 TLS GROUP : 195 REMARK 3 SELECTION: CHAIN 'R' AND (RESID 135 THROUGH 155 ) REMARK 3 ORIGIN FOR THE GROUP (A): -42.1317 -4.6666 55.6320 REMARK 3 T TENSOR REMARK 3 T11: 0.8917 T22: 0.3103 REMARK 3 T33: 0.8892 T12: 0.0109 REMARK 3 T13: -0.2573 T23: -0.1741 REMARK 3 L TENSOR REMARK 3 L11: 1.8202 L22: 3.1425 REMARK 3 L33: 1.2026 L12: -1.2704 REMARK 3 L13: 0.9666 L23: -1.0456 REMARK 3 S TENSOR REMARK 3 S11: 0.0069 S12: -0.0805 S13: -0.0723 REMARK 3 S21: 0.3359 S22: -0.0747 S23: 0.0784 REMARK 3 S31: -0.0471 S32: -0.0735 S33: 0.0443 REMARK 3 TLS GROUP : 196 REMARK 3 SELECTION: CHAIN 'R' AND (RESID 156 THROUGH 166 ) REMARK 3 ORIGIN FOR THE GROUP (A): -54.5056 -4.8166 58.3283 REMARK 3 T TENSOR REMARK 3 T11: 1.1627 T22: 0.7807 REMARK 3 T33: 0.6680 T12: -0.0698 REMARK 3 T13: -0.0997 T23: -0.1529 REMARK 3 L TENSOR REMARK 3 L11: 2.0938 L22: 0.5034 REMARK 3 L33: 0.7393 L12: -0.7807 REMARK 3 L13: -1.0286 L23: 0.1621 REMARK 3 S TENSOR REMARK 3 S11: -0.0544 S12: -0.3690 S13: 0.2223 REMARK 3 S21: 0.5177 S22: -0.1045 S23: 0.3978 REMARK 3 S31: -0.1183 S32: -0.3804 S33: 0.1277 REMARK 3 TLS GROUP : 197 REMARK 3 SELECTION: CHAIN 'R' AND (RESID 167 THROUGH 176 ) REMARK 3 ORIGIN FOR THE GROUP (A): -32.0460 -9.1970 48.5767 REMARK 3 T TENSOR REMARK 3 T11: 0.7007 T22: 0.5578 REMARK 3 T33: 1.0567 T12: 0.1243 REMARK 3 T13: -0.2902 T23: -0.1297 REMARK 3 L TENSOR REMARK 3 L11: 0.5142 L22: 1.7698 REMARK 3 L33: 2.0004 L12: 0.7280 REMARK 3 L13: 0.8753 L23: 0.7172 REMARK 3 S TENSOR REMARK 3 S11: -0.0653 S12: 0.2802 S13: 0.1587 REMARK 3 S21: -0.2066 S22: 0.0639 S23: -0.4866 REMARK 3 S31: -0.2213 S32: 0.5175 S33: -0.0026 REMARK 3 TLS GROUP : 198 REMARK 3 SELECTION: CHAIN 'R' AND (RESID 177 THROUGH 185 ) REMARK 3 ORIGIN FOR THE GROUP (A): -45.4091 -4.6030 50.6556 REMARK 3 T TENSOR REMARK 3 T11: 0.5326 T22: 0.3657 REMARK 3 T33: 0.5777 T12: 0.0338 REMARK 3 T13: -0.1042 T23: -0.1224 REMARK 3 L TENSOR REMARK 3 L11: 1.2248 L22: 4.7469 REMARK 3 L33: 3.4190 L12: -1.4077 REMARK 3 L13: -0.5278 L23: 0.3807 REMARK 3 S TENSOR REMARK 3 S11: -0.1059 S12: -0.1247 S13: -0.1907 REMARK 3 S21: 0.1276 S22: 0.0870 S23: -0.0171 REMARK 3 S31: 0.0516 S32: 0.0053 S33: 0.0388 REMARK 3 TLS GROUP : 199 REMARK 3 SELECTION: CHAIN 'R' AND (RESID 186 THROUGH 194 ) REMARK 3 ORIGIN FOR THE GROUP (A): -59.3843 6.8802 56.4114 REMARK 3 T TENSOR REMARK 3 T11: 1.0270 T22: 0.9336 REMARK 3 T33: 1.2575 T12: 0.1211 REMARK 3 T13: 0.1195 T23: -0.2716 REMARK 3 L TENSOR REMARK 3 L11: 0.0008 L22: 0.7752 REMARK 3 L33: 3.2674 L12: -0.0158 REMARK 3 L13: -0.0330 L23: 1.5912 REMARK 3 S TENSOR REMARK 3 S11: -0.0209 S12: -0.1728 S13: 0.0822 REMARK 3 S21: 0.1042 S22: -0.0537 S23: 0.2886 REMARK 3 S31: -0.0864 S32: -0.4452 S33: 0.0741 REMARK 3 TLS GROUP : 200 REMARK 3 SELECTION: CHAIN 'R' AND (RESID 195 THROUGH 204 ) REMARK 3 ORIGIN FOR THE GROUP (A): -43.7257 -3.5939 61.7557 REMARK 3 T TENSOR REMARK 3 T11: 0.9696 T22: 0.7440 REMARK 3 T33: 0.7799 T12: -0.0744 REMARK 3 T13: -0.1268 T23: -0.0564 REMARK 3 L TENSOR REMARK 3 L11: 0.7976 L22: 0.5381 REMARK 3 L33: 1.1176 L12: 0.5606 REMARK 3 L13: -0.2165 L23: 0.2185 REMARK 3 S TENSOR REMARK 3 S11: -0.2442 S12: -0.4114 S13: -0.1451 REMARK 3 S21: 0.3130 S22: 0.1572 S23: 0.1194 REMARK 3 S31: -0.0408 S32: -0.1206 S33: 0.0148 REMARK 3 TLS GROUP : 201 REMARK 3 SELECTION: CHAIN 'R' AND (RESID 205 THROUGH 213 ) REMARK 3 ORIGIN FOR THE GROUP (A): -44.4838 3.0079 61.7559 REMARK 3 T TENSOR REMARK 3 T11: 0.9974 T22: 0.7028 REMARK 3 T33: 0.8543 T12: 0.0958 REMARK 3 T13: -0.0881 T23: -0.3003 REMARK 3 L TENSOR REMARK 3 L11: 4.2838 L22: 0.1489 REMARK 3 L33: 0.2153 L12: -0.6113 REMARK 3 L13: 0.5248 L23: 0.0174 REMARK 3 S TENSOR REMARK 3 S11: -0.3148 S12: -0.4546 S13: -0.1462 REMARK 3 S21: 0.5461 S22: 0.3633 S23: 0.0668 REMARK 3 S31: -0.1003 S32: -0.1993 S33: -0.0641 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 8GPU COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ. REMARK 100 THE DEPOSITION ID IS D_1300031881. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 18-MAY-17 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 : SSRF REMARK 200 BEAMLINE : BL17U1 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.979 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 : 191067 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.790 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 (%) : 99.6 REMARK 200 DATA REDUNDANCY : 7.000 REMARK 200 R MERGE (I) : 0.18400 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 10.7000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.80 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.90 REMARK 200 COMPLETENESS FOR SHELL (%) : 95.9 REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: PHASER REMARK 200 STARTING MODEL: 5JHL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 65.97 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.61 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 1% (W/V) TRYPTONE, 0.05 M NA-HEPES, PH REMARK 280 7.0, AND 12% (W/V) PEG 3,350, VAPOR DIFFUSION, SITTING DROP, REMARK 280 TEMPERATURE 289.5K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 2 2 21 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z+1/2 REMARK 290 3555 -X,Y,-Z+1/2 REMARK 290 4555 X,-Y,-Z REMARK 290 5555 X+1/2,Y+1/2,Z REMARK 290 6555 -X+1/2,-Y+1/2,Z+1/2 REMARK 290 7555 -X+1/2,Y+1/2,-Z+1/2 REMARK 290 8555 X+1/2,-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 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 177.32850 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 177.32850 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 78.62950 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 139.00150 REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 6 -1.000000 0.000000 0.000000 78.62950 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 139.00150 REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 177.32850 REMARK 290 SMTRY1 7 -1.000000 0.000000 0.000000 78.62950 REMARK 290 SMTRY2 7 0.000000 1.000000 0.000000 139.00150 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 177.32850 REMARK 290 SMTRY1 8 1.000000 0.000000 0.000000 78.62950 REMARK 290 SMTRY2 8 0.000000 -1.000000 0.000000 139.00150 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 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: OCTADECAMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, H, L, E, F, G, B, C, D, I, REMARK 350 AND CHAINS: J, K, M, N, O, P, Q, R 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 GLY A 393 REMARK 465 SER A 394 REMARK 465 SER A 395 REMARK 465 ILE A 396 REMARK 465 GLY A 397 REMARK 465 LYS A 398 REMARK 465 GLU H 1 REMARK 465 GLU L 215 REMARK 465 CYS L 216 REMARK 465 SER L 217 REMARK 465 GLY E 393 REMARK 465 SER E 394 REMARK 465 SER E 395 REMARK 465 ILE E 396 REMARK 465 GLY E 397 REMARK 465 LYS E 398 REMARK 465 GLU F 1 REMARK 465 GLN G 1 REMARK 465 ASN B 269 REMARK 465 ASP B 270 REMARK 465 ASN B 271 REMARK 465 ASN B 272 REMARK 465 GLY B 393 REMARK 465 SER B 394 REMARK 465 SER B 395 REMARK 465 ILE B 396 REMARK 465 GLY B 397 REMARK 465 LYS B 398 REMARK 465 GLU C 1 REMARK 465 THR D 214 REMARK 465 GLU D 215 REMARK 465 CYS D 216 REMARK 465 SER D 217 REMARK 465 ASN I 269 REMARK 465 ASP I 270 REMARK 465 ASN I 271 REMARK 465 ASN I 272 REMARK 465 GLY I 393 REMARK 465 SER I 394 REMARK 465 SER I 395 REMARK 465 ILE I 396 REMARK 465 GLY I 397 REMARK 465 LYS I 398 REMARK 465 GLU J 1 REMARK 465 LYS J 133 REMARK 465 SER J 134 REMARK 465 THR J 135 REMARK 465 SER J 136 REMARK 465 GLY J 137 REMARK 465 GLU K 215 REMARK 465 CYS K 216 REMARK 465 SER K 217 REMARK 465 ASN M 269 REMARK 465 ASP M 270 REMARK 465 ASN M 271 REMARK 465 ASN M 272 REMARK 465 GLY M 393 REMARK 465 SER M 394 REMARK 465 SER M 395 REMARK 465 ILE M 396 REMARK 465 GLY M 397 REMARK 465 LYS M 398 REMARK 465 GLU N 1 REMARK 465 ASN P 269 REMARK 465 ASP P 270 REMARK 465 ASN P 271 REMARK 465 ASN P 272 REMARK 465 GLY P 393 REMARK 465 SER P 394 REMARK 465 SER P 395 REMARK 465 ILE P 396 REMARK 465 GLY P 397 REMARK 465 LYS P 398 REMARK 465 GLU Q 1 REMARK 465 THR R 214 REMARK 465 GLU R 215 REMARK 465 CYS R 216 REMARK 465 SER R 217 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 THR A 380 CG2 REMARK 470 VAL E 188 CG1 CG2 REMARK 470 LYS E 200 CD CE NZ REMARK 470 THR E 380 CG2 REMARK 470 GLU B 268 CD OE1 OE2 REMARK 470 THR B 380 CG2 REMARK 470 LYS I 200 CD CE NZ REMARK 470 GLU I 268 CD OE1 OE2 REMARK 470 THR I 380 CG2 REMARK 470 VAL M 188 CG1 CG2 REMARK 470 LYS M 200 CD CE NZ REMARK 470 GLU M 268 CD OE1 OE2 REMARK 470 THR M 380 CG2 REMARK 470 VAL P 188 CG1 CG2 REMARK 470 LYS P 200 CD CE NZ REMARK 470 GLU P 268 CD OE1 OE2 REMARK 470 THR P 380 CG2 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 PRO E 329 CA - N - CD ANGL. DEV. = -8.7 DEGREES REMARK 500 PRO O 114 N - CA - CB ANGL. DEV. = -8.6 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 VAL A 145 -75.44 -109.33 REMARK 500 SER A 219 43.56 -91.28 REMARK 500 HIS A 238 -63.57 -95.03 REMARK 500 HIS A 238 -63.98 -94.66 REMARK 500 ALA A 239 -43.78 -140.78 REMARK 500 ASP A 267 -158.80 -90.19 REMARK 500 GLU A 268 -149.54 -69.26 REMARK 500 PRO A 329 83.23 -23.44 REMARK 500 ASN A 353 72.86 53.74 REMARK 500 ASP H 105 -62.93 -93.32 REMARK 500 ALA H 118 127.02 -35.83 REMARK 500 SER L 27 -63.34 172.70 REMARK 500 ASN L 28 -63.30 -29.42 REMARK 500 VAL L 53 -66.56 55.32 REMARK 500 ASN L 97 -63.49 -91.52 REMARK 500 PHE L 99 -91.70 52.67 REMARK 500 ASP L 143 64.77 60.72 REMARK 500 ASP L 156 -33.11 70.15 REMARK 500 SER L 157 1.92 -160.30 REMARK 500 SER E 76 18.83 58.46 REMARK 500 GLU E 199 -21.80 70.25 REMARK 500 LYS E 200 -38.89 -139.96 REMARK 500 ALA E 239 -44.89 -134.84 REMARK 500 ALA E 240 15.09 -144.34 REMARK 500 ASP E 267 103.82 8.41 REMARK 500 GLU E 268 -21.22 -27.48 REMARK 500 ASN E 269 60.30 -69.13 REMARK 500 ASP E 270 57.15 33.99 REMARK 500 ALA E 328 92.02 58.07 REMARK 500 PRO E 329 94.06 26.77 REMARK 500 ASN E 353 74.70 54.15 REMARK 500 THR E 380 -39.56 -130.55 REMARK 500 TYR F 50 113.26 -160.50 REMARK 500 ASP F 105 -62.57 -93.59 REMARK 500 LYS F 133 54.17 -91.36 REMARK 500 SER G 27 -150.88 -146.47 REMARK 500 ASN G 28 -10.65 69.70 REMARK 500 VAL G 53 -73.33 67.68 REMARK 500 PHE G 99 -94.23 40.17 REMARK 500 ASP G 156 -35.72 71.21 REMARK 500 SER G 157 -1.40 -160.34 REMARK 500 ASN G 175 -3.18 77.28 REMARK 500 LYS G 176 -168.81 -79.09 REMARK 500 GLU G 203 15.42 57.45 REMARK 500 THR B 186 13.55 -65.60 REMARK 500 ALA B 187 17.63 52.41 REMARK 500 VAL B 188 74.83 56.81 REMARK 500 PHE B 190 137.63 -37.25 REMARK 500 SER B 221 -164.55 -77.64 REMARK 500 HIS B 238 -63.91 -92.88 REMARK 500 REMARK 500 THIS ENTRY HAS 130 RAMACHANDRAN OUTLIERS. REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: MAIN CHAIN PLANARITY REMARK 500 REMARK 500 THE FOLLOWING RESIDUES HAVE A PSEUDO PLANARITY REMARK 500 TORSION ANGLE, C(I) - CA(I) - N(I+1) - O(I), GREATER REMARK 500 10.0 DEGREES. (M=MODEL NUMBER; RES=RESIDUE NAME; REMARK 500 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 500 I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI ANGLE REMARK 500 ALA B 328 -12.95 REMARK 500 ALA I 328 -11.04 REMARK 500 GLY K 112 -11.71 REMARK 500 REMARK 500 REMARK: NULL DBREF 8GPU A 1 398 UNP Q89292 Q89292_9FLAV 1 398 DBREF 8GPU H 1 217 PDB 8GPU 8GPU 1 217 DBREF 8GPU L 1 217 PDB 8GPU 8GPU 1 217 DBREF 8GPU E 1 398 UNP Q89292 Q89292_9FLAV 1 398 DBREF 8GPU F 1 217 PDB 8GPU 8GPU 1 217 DBREF 8GPU G 1 217 PDB 8GPU 8GPU 1 217 DBREF 8GPU B 1 398 UNP Q89292 Q89292_9FLAV 1 398 DBREF 8GPU C 1 217 PDB 8GPU 8GPU 1 217 DBREF 8GPU D 1 217 PDB 8GPU 8GPU 1 217 DBREF 8GPU I 1 398 UNP Q89292 Q89292_9FLAV 1 398 DBREF 8GPU J 1 217 PDB 8GPU 8GPU 1 217 DBREF 8GPU K 1 217 PDB 8GPU 8GPU 1 217 DBREF 8GPU M 1 398 UNP Q89292 Q89292_9FLAV 1 398 DBREF 8GPU N 1 217 PDB 8GPU 8GPU 1 217 DBREF 8GPU O 1 217 PDB 8GPU 8GPU 1 217 DBREF 8GPU P 1 398 UNP Q89292 Q89292_9FLAV 1 398 DBREF 8GPU Q 1 217 PDB 8GPU 8GPU 1 217 DBREF 8GPU R 1 217 PDB 8GPU 8GPU 1 217 SEQRES 1 A 398 ALA HIS CYS ILE GLY ILE THR ASP ARG ASP PHE ILE GLU SEQRES 2 A 398 GLY VAL HIS GLY GLY THR TRP VAL SER ALA THR LEU GLU SEQRES 3 A 398 GLN ASP LYS CYS VAL THR VAL MET ALA PRO ASP LYS PRO SEQRES 4 A 398 SER LEU ASP ILE SER LEU GLN THR VAL ALA ILE ASP GLY SEQRES 5 A 398 PRO ALA GLU ALA ARG LYS VAL CYS TYR SER ALA VAL LEU SEQRES 6 A 398 THR HIS VAL LYS ILE ASN ASP LYS CYS PRO SER THR GLY SEQRES 7 A 398 GLU ALA HIS LEU ALA GLU GLU ASN ASP GLY ASP ASN ALA SEQRES 8 A 398 CYS LYS ARG THR TYR SER ASP ARG GLY TRP GLY ASN GLY SEQRES 9 A 398 CYS GLY LEU PHE GLY LYS GLY SER ILE VAL ALA CYS ALA SEQRES 10 A 398 LYS PHE THR CYS ALA LYS SER MET SER LEU PHE GLU VAL SEQRES 11 A 398 ASP GLN THR LYS ILE GLN TYR VAL ILE ARG ALA GLN LEU SEQRES 12 A 398 HIS VAL GLY ALA LYS GLN GLU ASN TRP ASN THR ASP ILE SEQRES 13 A 398 LYS THR LEU LYS PHE ASP ALA LEU SER GLY SER GLN GLU SEQRES 14 A 398 ALA GLU PHE THR GLY TYR GLY LYS ALA THR LEU GLU CYS SEQRES 15 A 398 GLN VAL GLN THR ALA VAL ASP PHE GLY ASN SER TYR ILE SEQRES 16 A 398 ALA GLU MET GLU LYS ASP SER TRP ILE VAL ASP ARG GLN SEQRES 17 A 398 TRP ALA GLN ASP LEU THR LEU PRO TRP GLN SER GLY SER SEQRES 18 A 398 GLY GLY ILE TRP ARG GLU MET HIS HIS LEU VAL GLU PHE SEQRES 19 A 398 GLU PRO PRO HIS ALA ALA THR ILE ARG VAL LEU ALA LEU SEQRES 20 A 398 GLY ASN GLN GLU GLY SER LEU LYS THR ALA LEU THR GLY SEQRES 21 A 398 ALA MET ARG VAL THR LYS ASP GLU ASN ASP ASN ASN LEU SEQRES 22 A 398 TYR LYS LEU HIS GLY GLY HIS VAL SER CYS ARG VAL LYS SEQRES 23 A 398 LEU SER ALA LEU THR LEU LYS GLY THR SER TYR LYS MET SEQRES 24 A 398 CYS THR ASP LYS MET SER PHE VAL LYS ASN PRO THR ASP SEQRES 25 A 398 THR GLY HIS GLY THR VAL VAL MET GLN VAL LYS VAL PRO SEQRES 26 A 398 LYS GLY ALA PRO CYS LYS ILE PRO VAL ILE VAL ALA ASP SEQRES 27 A 398 ASP LEU THR ALA ALA VAL ASN LYS GLY ILE LEU VAL THR SEQRES 28 A 398 VAL ASN PRO ILE ALA SER THR ASN ASP ASP GLU VAL LEU SEQRES 29 A 398 ILE GLU VAL ASN PRO PRO PHE GLY ASP SER TYR ILE ILE SEQRES 30 A 398 VAL GLY THR GLY ASP SER ARG LEU THR TYR GLN TRP HIS SEQRES 31 A 398 LYS GLU GLY SER SER ILE GLY LYS SEQRES 1 H 217 GLU VAL GLN LEU VAL GLU SER GLY GLY GLY LEU VAL LYS SEQRES 2 H 217 PRO GLY GLY SER LEU ARG LEU SER CYS ALA ALA SER GLY SEQRES 3 H 217 PHE ILE PHE SER ASP TYR TYR MET MET TRP ILE ARG GLN SEQRES 4 H 217 ALA PRO GLY LYS GLY LEU GLU TRP ILE SER TYR ILE SER SEQRES 5 H 217 SER SER GLY SER GLN ILE TYR TYR THR GLU SER VAL LYS SEQRES 6 H 217 GLY ARG PHE THR ILE SER ARG ASP ASN GLY LYS ASN LEU SEQRES 7 H 217 LEU TYR LEU GLN MET ASN SER LEU ARG GLY GLU ASP THR SEQRES 8 H 217 ALA LEU TYR TYR CYS ALA THR GLU THR GLY TRP ARG ILE SEQRES 9 H 217 ASP THR TRP GLY GLN GLY THR LEU VAL THR VAL SER SER SEQRES 10 H 217 ALA SER THR LYS GLY PRO SER VAL PHE PRO LEU ALA PRO SEQRES 11 H 217 SER SER LYS SER THR SER GLY GLY THR ALA ALA LEU GLY SEQRES 12 H 217 CYS LEU VAL LYS ASP TYR PHE PRO GLU PRO VAL THR VAL SEQRES 13 H 217 SER TRP ASN SER GLY ALA LEU THR SER GLY VAL HIS THR SEQRES 14 H 217 PHE PRO ALA VAL LEU GLN SER SER GLY LEU TYR SER LEU SEQRES 15 H 217 SER SER VAL VAL THR VAL PRO SER SER SER LEU GLY THR SEQRES 16 H 217 GLN THR TYR ILE CYS ASN VAL ASN HIS LYS PRO SER ASN SEQRES 17 H 217 THR LYS VAL ASP LYS ARG VAL GLU PRO SEQRES 1 L 217 GLN ALA VAL LEU THR GLN PRO ALA SER VAL SER GLY SER SEQRES 2 L 217 PRO GLY GLN SER ILE THR ILE SER CYS THR GLY THR GLY SEQRES 3 L 217 SER ASN ILE GLU THR TYR ASN LEU VAL SER TRP TYR GLN SEQRES 4 L 217 ARG HIS PRO GLY LYS ALA PRO LYS LEU ILE LEU TYR GLU SEQRES 5 L 217 VAL SER GLU ARG PRO SER GLY VAL SER ASN ARG PHE SER SEQRES 6 L 217 GLY SER LYS SER GLY ASN THR ALA SER LEU THR ILE SER SEQRES 7 L 217 GLY LEU GLN ALA GLU ASP GLU ALA ASP TYR PHE CYS CYS SEQRES 8 L 217 SER TYR ALA ASP THR ASN ILE PHE TRP VAL PHE GLY GLY SEQRES 9 L 217 GLY THR HIS LEU THR VAL LEU GLY GLN PRO LYS ALA ALA SEQRES 10 L 217 PRO SER VAL THR LEU PHE PRO PRO SER SER GLU GLU LEU SEQRES 11 L 217 GLN ALA ASN LYS ALA THR LEU VAL CYS LEU ILE SER ASP SEQRES 12 L 217 PHE TYR PRO GLY ALA VAL THR VAL ALA TRP LYS ALA ASP SEQRES 13 L 217 SER SER PRO VAL LYS ALA GLY VAL GLU THR THR THR PRO SEQRES 14 L 217 SER LYS GLN SER ASN ASN LYS TYR ALA ALA SER SER TYR SEQRES 15 L 217 LEU SER LEU THR PRO GLU GLN TRP LYS SER HIS ARG SER SEQRES 16 L 217 TYR SER CYS GLN VAL THR HIS GLU GLY SER THR VAL GLU SEQRES 17 L 217 LYS THR VAL ALA PRO THR GLU CYS SER SEQRES 1 E 398 ALA HIS CYS ILE GLY ILE THR ASP ARG ASP PHE ILE GLU SEQRES 2 E 398 GLY VAL HIS GLY GLY THR TRP VAL SER ALA THR LEU GLU SEQRES 3 E 398 GLN ASP LYS CYS VAL THR VAL MET ALA PRO ASP LYS PRO SEQRES 4 E 398 SER LEU ASP ILE SER LEU GLN THR VAL ALA ILE ASP GLY SEQRES 5 E 398 PRO ALA GLU ALA ARG LYS VAL CYS TYR SER ALA VAL LEU SEQRES 6 E 398 THR HIS VAL LYS ILE ASN ASP LYS CYS PRO SER THR GLY SEQRES 7 E 398 GLU ALA HIS LEU ALA GLU GLU ASN ASP GLY ASP ASN ALA SEQRES 8 E 398 CYS LYS ARG THR TYR SER ASP ARG GLY TRP GLY ASN GLY SEQRES 9 E 398 CYS GLY LEU PHE GLY LYS GLY SER ILE VAL ALA CYS ALA SEQRES 10 E 398 LYS PHE THR CYS ALA LYS SER MET SER LEU PHE GLU VAL SEQRES 11 E 398 ASP GLN THR LYS ILE GLN TYR VAL ILE ARG ALA GLN LEU SEQRES 12 E 398 HIS VAL GLY ALA LYS GLN GLU ASN TRP ASN THR ASP ILE SEQRES 13 E 398 LYS THR LEU LYS PHE ASP ALA LEU SER GLY SER GLN GLU SEQRES 14 E 398 ALA GLU PHE THR GLY TYR GLY LYS ALA THR LEU GLU CYS SEQRES 15 E 398 GLN VAL GLN THR ALA VAL ASP PHE GLY ASN SER TYR ILE SEQRES 16 E 398 ALA GLU MET GLU LYS ASP SER TRP ILE VAL ASP ARG GLN SEQRES 17 E 398 TRP ALA GLN ASP LEU THR LEU PRO TRP GLN SER GLY SER SEQRES 18 E 398 GLY GLY ILE TRP ARG GLU MET HIS HIS LEU VAL GLU PHE SEQRES 19 E 398 GLU PRO PRO HIS ALA ALA THR ILE ARG VAL LEU ALA LEU SEQRES 20 E 398 GLY ASN GLN GLU GLY SER LEU LYS THR ALA LEU THR GLY SEQRES 21 E 398 ALA MET ARG VAL THR LYS ASP GLU ASN ASP ASN ASN LEU SEQRES 22 E 398 TYR LYS LEU HIS GLY GLY HIS VAL SER CYS ARG VAL LYS SEQRES 23 E 398 LEU SER ALA LEU THR LEU LYS GLY THR SER TYR LYS MET SEQRES 24 E 398 CYS THR ASP LYS MET SER PHE VAL LYS ASN PRO THR ASP SEQRES 25 E 398 THR GLY HIS GLY THR VAL VAL MET GLN VAL LYS VAL PRO SEQRES 26 E 398 LYS GLY ALA PRO CYS LYS ILE PRO VAL ILE VAL ALA ASP SEQRES 27 E 398 ASP LEU THR ALA ALA VAL ASN LYS GLY ILE LEU VAL THR SEQRES 28 E 398 VAL ASN PRO ILE ALA SER THR ASN ASP ASP GLU VAL LEU SEQRES 29 E 398 ILE GLU VAL ASN PRO PRO PHE GLY ASP SER TYR ILE ILE SEQRES 30 E 398 VAL GLY THR GLY ASP SER ARG LEU THR TYR GLN TRP HIS SEQRES 31 E 398 LYS GLU GLY SER SER ILE GLY LYS SEQRES 1 F 217 GLU VAL GLN LEU VAL GLU SER GLY GLY GLY LEU VAL LYS SEQRES 2 F 217 PRO GLY GLY SER LEU ARG LEU SER CYS ALA ALA SER GLY SEQRES 3 F 217 PHE ILE PHE SER ASP TYR TYR MET MET TRP ILE ARG GLN SEQRES 4 F 217 ALA PRO GLY LYS GLY LEU GLU TRP ILE SER TYR ILE SER SEQRES 5 F 217 SER SER GLY SER GLN ILE TYR TYR THR GLU SER VAL LYS SEQRES 6 F 217 GLY ARG PHE THR ILE SER ARG ASP ASN GLY LYS ASN LEU SEQRES 7 F 217 LEU TYR LEU GLN MET ASN SER LEU ARG GLY GLU ASP THR SEQRES 8 F 217 ALA LEU TYR TYR CYS ALA THR GLU THR GLY TRP ARG ILE SEQRES 9 F 217 ASP THR TRP GLY GLN GLY THR LEU VAL THR VAL SER SER SEQRES 10 F 217 ALA SER THR LYS GLY PRO SER VAL PHE PRO LEU ALA PRO SEQRES 11 F 217 SER SER LYS SER THR SER GLY GLY THR ALA ALA LEU GLY SEQRES 12 F 217 CYS LEU VAL LYS ASP TYR PHE PRO GLU PRO VAL THR VAL SEQRES 13 F 217 SER TRP ASN SER GLY ALA LEU THR SER GLY VAL HIS THR SEQRES 14 F 217 PHE PRO ALA VAL LEU GLN SER SER GLY LEU TYR SER LEU SEQRES 15 F 217 SER SER VAL VAL THR VAL PRO SER SER SER LEU GLY THR SEQRES 16 F 217 GLN THR TYR ILE CYS ASN VAL ASN HIS LYS PRO SER ASN SEQRES 17 F 217 THR LYS VAL ASP LYS ARG VAL GLU PRO SEQRES 1 G 217 GLN ALA VAL LEU THR GLN PRO ALA SER VAL SER GLY SER SEQRES 2 G 217 PRO GLY GLN SER ILE THR ILE SER CYS THR GLY THR GLY SEQRES 3 G 217 SER ASN ILE GLU THR TYR ASN LEU VAL SER TRP TYR GLN SEQRES 4 G 217 ARG HIS PRO GLY LYS ALA PRO LYS LEU ILE LEU TYR GLU SEQRES 5 G 217 VAL SER GLU ARG PRO SER GLY VAL SER ASN ARG PHE SER SEQRES 6 G 217 GLY SER LYS SER GLY ASN THR ALA SER LEU THR ILE SER SEQRES 7 G 217 GLY LEU GLN ALA GLU ASP GLU ALA ASP TYR PHE CYS CYS SEQRES 8 G 217 SER TYR ALA ASP THR ASN ILE PHE TRP VAL PHE GLY GLY SEQRES 9 G 217 GLY THR HIS LEU THR VAL LEU GLY GLN PRO LYS ALA ALA SEQRES 10 G 217 PRO SER VAL THR LEU PHE PRO PRO SER SER GLU GLU LEU SEQRES 11 G 217 GLN ALA ASN LYS ALA THR LEU VAL CYS LEU ILE SER ASP SEQRES 12 G 217 PHE TYR PRO GLY ALA VAL THR VAL ALA TRP LYS ALA ASP SEQRES 13 G 217 SER SER PRO VAL LYS ALA GLY VAL GLU THR THR THR PRO SEQRES 14 G 217 SER LYS GLN SER ASN ASN LYS TYR ALA ALA SER SER TYR SEQRES 15 G 217 LEU SER LEU THR PRO GLU GLN TRP LYS SER HIS ARG SER SEQRES 16 G 217 TYR SER CYS GLN VAL THR HIS GLU GLY SER THR VAL GLU SEQRES 17 G 217 LYS THR VAL ALA PRO THR GLU CYS SER SEQRES 1 B 398 ALA HIS CYS ILE GLY ILE THR ASP ARG ASP PHE ILE GLU SEQRES 2 B 398 GLY VAL HIS GLY GLY THR TRP VAL SER ALA THR LEU GLU SEQRES 3 B 398 GLN ASP LYS CYS VAL THR VAL MET ALA PRO ASP LYS PRO SEQRES 4 B 398 SER LEU ASP ILE SER LEU GLN THR VAL ALA ILE ASP GLY SEQRES 5 B 398 PRO ALA GLU ALA ARG LYS VAL CYS TYR SER ALA VAL LEU SEQRES 6 B 398 THR HIS VAL LYS ILE ASN ASP LYS CYS PRO SER THR GLY SEQRES 7 B 398 GLU ALA HIS LEU ALA GLU GLU ASN ASP GLY ASP ASN ALA SEQRES 8 B 398 CYS LYS ARG THR TYR SER ASP ARG GLY TRP GLY ASN GLY SEQRES 9 B 398 CYS GLY LEU PHE GLY LYS GLY SER ILE VAL ALA CYS ALA SEQRES 10 B 398 LYS PHE THR CYS ALA LYS SER MET SER LEU PHE GLU VAL SEQRES 11 B 398 ASP GLN THR LYS ILE GLN TYR VAL ILE ARG ALA GLN LEU SEQRES 12 B 398 HIS VAL GLY ALA LYS GLN GLU ASN TRP ASN THR ASP ILE SEQRES 13 B 398 LYS THR LEU LYS PHE ASP ALA LEU SER GLY SER GLN GLU SEQRES 14 B 398 ALA GLU PHE THR GLY TYR GLY LYS ALA THR LEU GLU CYS SEQRES 15 B 398 GLN VAL GLN THR ALA VAL ASP PHE GLY ASN SER TYR ILE SEQRES 16 B 398 ALA GLU MET GLU LYS ASP SER TRP ILE VAL ASP ARG GLN SEQRES 17 B 398 TRP ALA GLN ASP LEU THR LEU PRO TRP GLN SER GLY SER SEQRES 18 B 398 GLY GLY ILE TRP ARG GLU MET HIS HIS LEU VAL GLU PHE SEQRES 19 B 398 GLU PRO PRO HIS ALA ALA THR ILE ARG VAL LEU ALA LEU SEQRES 20 B 398 GLY ASN GLN GLU GLY SER LEU LYS THR ALA LEU THR GLY SEQRES 21 B 398 ALA MET ARG VAL THR LYS ASP GLU ASN ASP ASN ASN LEU SEQRES 22 B 398 TYR LYS LEU HIS GLY GLY HIS VAL SER CYS ARG VAL LYS SEQRES 23 B 398 LEU SER ALA LEU THR LEU LYS GLY THR SER TYR LYS MET SEQRES 24 B 398 CYS THR ASP LYS MET SER PHE VAL LYS ASN PRO THR ASP SEQRES 25 B 398 THR GLY HIS GLY THR VAL VAL MET GLN VAL LYS VAL PRO SEQRES 26 B 398 LYS GLY ALA PRO CYS LYS ILE PRO VAL ILE VAL ALA ASP SEQRES 27 B 398 ASP LEU THR ALA ALA VAL ASN LYS GLY ILE LEU VAL THR SEQRES 28 B 398 VAL ASN PRO ILE ALA SER THR ASN ASP ASP GLU VAL LEU SEQRES 29 B 398 ILE GLU VAL ASN PRO PRO PHE GLY ASP SER TYR ILE ILE SEQRES 30 B 398 VAL GLY THR GLY ASP SER ARG LEU THR TYR GLN TRP HIS SEQRES 31 B 398 LYS GLU GLY SER SER ILE GLY LYS SEQRES 1 C 217 GLU VAL GLN LEU VAL GLU SER GLY GLY GLY LEU VAL LYS SEQRES 2 C 217 PRO GLY GLY SER LEU ARG LEU SER CYS ALA ALA SER GLY SEQRES 3 C 217 PHE ILE PHE SER ASP TYR TYR MET MET TRP ILE ARG GLN SEQRES 4 C 217 ALA PRO GLY LYS GLY LEU GLU TRP ILE SER TYR ILE SER SEQRES 5 C 217 SER SER GLY SER GLN ILE TYR TYR THR GLU SER VAL LYS SEQRES 6 C 217 GLY ARG PHE THR ILE SER ARG ASP ASN GLY LYS ASN LEU SEQRES 7 C 217 LEU TYR LEU GLN MET ASN SER LEU ARG GLY GLU ASP THR SEQRES 8 C 217 ALA LEU TYR TYR CYS ALA THR GLU THR GLY TRP ARG ILE SEQRES 9 C 217 ASP THR TRP GLY GLN GLY THR LEU VAL THR VAL SER SER SEQRES 10 C 217 ALA SER THR LYS GLY PRO SER VAL PHE PRO LEU ALA PRO SEQRES 11 C 217 SER SER LYS SER THR SER GLY GLY THR ALA ALA LEU GLY SEQRES 12 C 217 CYS LEU VAL LYS ASP TYR PHE PRO GLU PRO VAL THR VAL SEQRES 13 C 217 SER TRP ASN SER GLY ALA LEU THR SER GLY VAL HIS THR SEQRES 14 C 217 PHE PRO ALA VAL LEU GLN SER SER GLY LEU TYR SER LEU SEQRES 15 C 217 SER SER VAL VAL THR VAL PRO SER SER SER LEU GLY THR SEQRES 16 C 217 GLN THR TYR ILE CYS ASN VAL ASN HIS LYS PRO SER ASN SEQRES 17 C 217 THR LYS VAL ASP LYS ARG VAL GLU PRO SEQRES 1 D 217 GLN ALA VAL LEU THR GLN PRO ALA SER VAL SER GLY SER SEQRES 2 D 217 PRO GLY GLN SER ILE THR ILE SER CYS THR GLY THR GLY SEQRES 3 D 217 SER ASN ILE GLU THR TYR ASN LEU VAL SER TRP TYR GLN SEQRES 4 D 217 ARG HIS PRO GLY LYS ALA PRO LYS LEU ILE LEU TYR GLU SEQRES 5 D 217 VAL SER GLU ARG PRO SER GLY VAL SER ASN ARG PHE SER SEQRES 6 D 217 GLY SER LYS SER GLY ASN THR ALA SER LEU THR ILE SER SEQRES 7 D 217 GLY LEU GLN ALA GLU ASP GLU ALA ASP TYR PHE CYS CYS SEQRES 8 D 217 SER TYR ALA ASP THR ASN ILE PHE TRP VAL PHE GLY GLY SEQRES 9 D 217 GLY THR HIS LEU THR VAL LEU GLY GLN PRO LYS ALA ALA SEQRES 10 D 217 PRO SER VAL THR LEU PHE PRO PRO SER SER GLU GLU LEU SEQRES 11 D 217 GLN ALA ASN LYS ALA THR LEU VAL CYS LEU ILE SER ASP SEQRES 12 D 217 PHE TYR PRO GLY ALA VAL THR VAL ALA TRP LYS ALA ASP SEQRES 13 D 217 SER SER PRO VAL LYS ALA GLY VAL GLU THR THR THR PRO SEQRES 14 D 217 SER LYS GLN SER ASN ASN LYS TYR ALA ALA SER SER TYR SEQRES 15 D 217 LEU SER LEU THR PRO GLU GLN TRP LYS SER HIS ARG SER SEQRES 16 D 217 TYR SER CYS GLN VAL THR HIS GLU GLY SER THR VAL GLU SEQRES 17 D 217 LYS THR VAL ALA PRO THR GLU CYS SER SEQRES 1 I 398 ALA HIS CYS ILE GLY ILE THR ASP ARG ASP PHE ILE GLU SEQRES 2 I 398 GLY VAL HIS GLY GLY THR TRP VAL SER ALA THR LEU GLU SEQRES 3 I 398 GLN ASP LYS CYS VAL THR VAL MET ALA PRO ASP LYS PRO SEQRES 4 I 398 SER LEU ASP ILE SER LEU GLN THR VAL ALA ILE ASP GLY SEQRES 5 I 398 PRO ALA GLU ALA ARG LYS VAL CYS TYR SER ALA VAL LEU SEQRES 6 I 398 THR HIS VAL LYS ILE ASN ASP LYS CYS PRO SER THR GLY SEQRES 7 I 398 GLU ALA HIS LEU ALA GLU GLU ASN ASP GLY ASP ASN ALA SEQRES 8 I 398 CYS LYS ARG THR TYR SER ASP ARG GLY TRP GLY ASN GLY SEQRES 9 I 398 CYS GLY LEU PHE GLY LYS GLY SER ILE VAL ALA CYS ALA SEQRES 10 I 398 LYS PHE THR CYS ALA LYS SER MET SER LEU PHE GLU VAL SEQRES 11 I 398 ASP GLN THR LYS ILE GLN TYR VAL ILE ARG ALA GLN LEU SEQRES 12 I 398 HIS VAL GLY ALA LYS GLN GLU ASN TRP ASN THR ASP ILE SEQRES 13 I 398 LYS THR LEU LYS PHE ASP ALA LEU SER GLY SER GLN GLU SEQRES 14 I 398 ALA GLU PHE THR GLY TYR GLY LYS ALA THR LEU GLU CYS SEQRES 15 I 398 GLN VAL GLN THR ALA VAL ASP PHE GLY ASN SER TYR ILE SEQRES 16 I 398 ALA GLU MET GLU LYS ASP SER TRP ILE VAL ASP ARG GLN SEQRES 17 I 398 TRP ALA GLN ASP LEU THR LEU PRO TRP GLN SER GLY SER SEQRES 18 I 398 GLY GLY ILE TRP ARG GLU MET HIS HIS LEU VAL GLU PHE SEQRES 19 I 398 GLU PRO PRO HIS ALA ALA THR ILE ARG VAL LEU ALA LEU SEQRES 20 I 398 GLY ASN GLN GLU GLY SER LEU LYS THR ALA LEU THR GLY SEQRES 21 I 398 ALA MET ARG VAL THR LYS ASP GLU ASN ASP ASN ASN LEU SEQRES 22 I 398 TYR LYS LEU HIS GLY GLY HIS VAL SER CYS ARG VAL LYS SEQRES 23 I 398 LEU SER ALA LEU THR LEU LYS GLY THR SER TYR LYS MET SEQRES 24 I 398 CYS THR ASP LYS MET SER PHE VAL LYS ASN PRO THR ASP SEQRES 25 I 398 THR GLY HIS GLY THR VAL VAL MET GLN VAL LYS VAL PRO SEQRES 26 I 398 LYS GLY ALA PRO CYS LYS ILE PRO VAL ILE VAL ALA ASP SEQRES 27 I 398 ASP LEU THR ALA ALA VAL ASN LYS GLY ILE LEU VAL THR SEQRES 28 I 398 VAL ASN PRO ILE ALA SER THR ASN ASP ASP GLU VAL LEU SEQRES 29 I 398 ILE GLU VAL ASN PRO PRO PHE GLY ASP SER TYR ILE ILE SEQRES 30 I 398 VAL GLY THR GLY ASP SER ARG LEU THR TYR GLN TRP HIS SEQRES 31 I 398 LYS GLU GLY SER SER ILE GLY LYS SEQRES 1 J 217 GLU VAL GLN LEU VAL GLU SER GLY GLY GLY LEU VAL LYS SEQRES 2 J 217 PRO GLY GLY SER LEU ARG LEU SER CYS ALA ALA SER GLY SEQRES 3 J 217 PHE ILE PHE SER ASP TYR TYR MET MET TRP ILE ARG GLN SEQRES 4 J 217 ALA PRO GLY LYS GLY LEU GLU TRP ILE SER TYR ILE SER SEQRES 5 J 217 SER SER GLY SER GLN ILE TYR TYR THR GLU SER VAL LYS SEQRES 6 J 217 GLY ARG PHE THR ILE SER ARG ASP ASN GLY LYS ASN LEU SEQRES 7 J 217 LEU TYR LEU GLN MET ASN SER LEU ARG GLY GLU ASP THR SEQRES 8 J 217 ALA LEU TYR TYR CYS ALA THR GLU THR GLY TRP ARG ILE SEQRES 9 J 217 ASP THR TRP GLY GLN GLY THR LEU VAL THR VAL SER SER SEQRES 10 J 217 ALA SER THR LYS GLY PRO SER VAL PHE PRO LEU ALA PRO SEQRES 11 J 217 SER SER LYS SER THR SER GLY GLY THR ALA ALA LEU GLY SEQRES 12 J 217 CYS LEU VAL LYS ASP TYR PHE PRO GLU PRO VAL THR VAL SEQRES 13 J 217 SER TRP ASN SER GLY ALA LEU THR SER GLY VAL HIS THR SEQRES 14 J 217 PHE PRO ALA VAL LEU GLN SER SER GLY LEU TYR SER LEU SEQRES 15 J 217 SER SER VAL VAL THR VAL PRO SER SER SER LEU GLY THR SEQRES 16 J 217 GLN THR TYR ILE CYS ASN VAL ASN HIS LYS PRO SER ASN SEQRES 17 J 217 THR LYS VAL ASP LYS ARG VAL GLU PRO SEQRES 1 K 217 GLN ALA VAL LEU THR GLN PRO ALA SER VAL SER GLY SER SEQRES 2 K 217 PRO GLY GLN SER ILE THR ILE SER CYS THR GLY THR GLY SEQRES 3 K 217 SER ASN ILE GLU THR TYR ASN LEU VAL SER TRP TYR GLN SEQRES 4 K 217 ARG HIS PRO GLY LYS ALA PRO LYS LEU ILE LEU TYR GLU SEQRES 5 K 217 VAL SER GLU ARG PRO SER GLY VAL SER ASN ARG PHE SER SEQRES 6 K 217 GLY SER LYS SER GLY ASN THR ALA SER LEU THR ILE SER SEQRES 7 K 217 GLY LEU GLN ALA GLU ASP GLU ALA ASP TYR PHE CYS CYS SEQRES 8 K 217 SER TYR ALA ASP THR ASN ILE PHE TRP VAL PHE GLY GLY SEQRES 9 K 217 GLY THR HIS LEU THR VAL LEU GLY GLN PRO LYS ALA ALA SEQRES 10 K 217 PRO SER VAL THR LEU PHE PRO PRO SER SER GLU GLU LEU SEQRES 11 K 217 GLN ALA ASN LYS ALA THR LEU VAL CYS LEU ILE SER ASP SEQRES 12 K 217 PHE TYR PRO GLY ALA VAL THR VAL ALA TRP LYS ALA ASP SEQRES 13 K 217 SER SER PRO VAL LYS ALA GLY VAL GLU THR THR THR PRO SEQRES 14 K 217 SER LYS GLN SER ASN ASN LYS TYR ALA ALA SER SER TYR SEQRES 15 K 217 LEU SER LEU THR PRO GLU GLN TRP LYS SER HIS ARG SER SEQRES 16 K 217 TYR SER CYS GLN VAL THR HIS GLU GLY SER THR VAL GLU SEQRES 17 K 217 LYS THR VAL ALA PRO THR GLU CYS SER SEQRES 1 M 398 ALA HIS CYS ILE GLY ILE THR ASP ARG ASP PHE ILE GLU SEQRES 2 M 398 GLY VAL HIS GLY GLY THR TRP VAL SER ALA THR LEU GLU SEQRES 3 M 398 GLN ASP LYS CYS VAL THR VAL MET ALA PRO ASP LYS PRO SEQRES 4 M 398 SER LEU ASP ILE SER LEU GLN THR VAL ALA ILE ASP GLY SEQRES 5 M 398 PRO ALA GLU ALA ARG LYS VAL CYS TYR SER ALA VAL LEU SEQRES 6 M 398 THR HIS VAL LYS ILE ASN ASP LYS CYS PRO SER THR GLY SEQRES 7 M 398 GLU ALA HIS LEU ALA GLU GLU ASN ASP GLY ASP ASN ALA SEQRES 8 M 398 CYS LYS ARG THR TYR SER ASP ARG GLY TRP GLY ASN GLY SEQRES 9 M 398 CYS GLY LEU PHE GLY LYS GLY SER ILE VAL ALA CYS ALA SEQRES 10 M 398 LYS PHE THR CYS ALA LYS SER MET SER LEU PHE GLU VAL SEQRES 11 M 398 ASP GLN THR LYS ILE GLN TYR VAL ILE ARG ALA GLN LEU SEQRES 12 M 398 HIS VAL GLY ALA LYS GLN GLU ASN TRP ASN THR ASP ILE SEQRES 13 M 398 LYS THR LEU LYS PHE ASP ALA LEU SER GLY SER GLN GLU SEQRES 14 M 398 ALA GLU PHE THR GLY TYR GLY LYS ALA THR LEU GLU CYS SEQRES 15 M 398 GLN VAL GLN THR ALA VAL ASP PHE GLY ASN SER TYR ILE SEQRES 16 M 398 ALA GLU MET GLU LYS ASP SER TRP ILE VAL ASP ARG GLN SEQRES 17 M 398 TRP ALA GLN ASP LEU THR LEU PRO TRP GLN SER GLY SER SEQRES 18 M 398 GLY GLY ILE TRP ARG GLU MET HIS HIS LEU VAL GLU PHE SEQRES 19 M 398 GLU PRO PRO HIS ALA ALA THR ILE ARG VAL LEU ALA LEU SEQRES 20 M 398 GLY ASN GLN GLU GLY SER LEU LYS THR ALA LEU THR GLY SEQRES 21 M 398 ALA MET ARG VAL THR LYS ASP GLU ASN ASP ASN ASN LEU SEQRES 22 M 398 TYR LYS LEU HIS GLY GLY HIS VAL SER CYS ARG VAL LYS SEQRES 23 M 398 LEU SER ALA LEU THR LEU LYS GLY THR SER TYR LYS MET SEQRES 24 M 398 CYS THR ASP LYS MET SER PHE VAL LYS ASN PRO THR ASP SEQRES 25 M 398 THR GLY HIS GLY THR VAL VAL MET GLN VAL LYS VAL PRO SEQRES 26 M 398 LYS GLY ALA PRO CYS LYS ILE PRO VAL ILE VAL ALA ASP SEQRES 27 M 398 ASP LEU THR ALA ALA VAL ASN LYS GLY ILE LEU VAL THR SEQRES 28 M 398 VAL ASN PRO ILE ALA SER THR ASN ASP ASP GLU VAL LEU SEQRES 29 M 398 ILE GLU VAL ASN PRO PRO PHE GLY ASP SER TYR ILE ILE SEQRES 30 M 398 VAL GLY THR GLY ASP SER ARG LEU THR TYR GLN TRP HIS SEQRES 31 M 398 LYS GLU GLY SER SER ILE GLY LYS SEQRES 1 N 217 GLU VAL GLN LEU VAL GLU SER GLY GLY GLY LEU VAL LYS SEQRES 2 N 217 PRO GLY GLY SER LEU ARG LEU SER CYS ALA ALA SER GLY SEQRES 3 N 217 PHE ILE PHE SER ASP TYR TYR MET MET TRP ILE ARG GLN SEQRES 4 N 217 ALA PRO GLY LYS GLY LEU GLU TRP ILE SER TYR ILE SER SEQRES 5 N 217 SER SER GLY SER GLN ILE TYR TYR THR GLU SER VAL LYS SEQRES 6 N 217 GLY ARG PHE THR ILE SER ARG ASP ASN GLY LYS ASN LEU SEQRES 7 N 217 LEU TYR LEU GLN MET ASN SER LEU ARG GLY GLU ASP THR SEQRES 8 N 217 ALA LEU TYR TYR CYS ALA THR GLU THR GLY TRP ARG ILE SEQRES 9 N 217 ASP THR TRP GLY GLN GLY THR LEU VAL THR VAL SER SER SEQRES 10 N 217 ALA SER THR LYS GLY PRO SER VAL PHE PRO LEU ALA PRO SEQRES 11 N 217 SER SER LYS SER THR SER GLY GLY THR ALA ALA LEU GLY SEQRES 12 N 217 CYS LEU VAL LYS ASP TYR PHE PRO GLU PRO VAL THR VAL SEQRES 13 N 217 SER TRP ASN SER GLY ALA LEU THR SER GLY VAL HIS THR SEQRES 14 N 217 PHE PRO ALA VAL LEU GLN SER SER GLY LEU TYR SER LEU SEQRES 15 N 217 SER SER VAL VAL THR VAL PRO SER SER SER LEU GLY THR SEQRES 16 N 217 GLN THR TYR ILE CYS ASN VAL ASN HIS LYS PRO SER ASN SEQRES 17 N 217 THR LYS VAL ASP LYS ARG VAL GLU PRO SEQRES 1 O 217 GLN ALA VAL LEU THR GLN PRO ALA SER VAL SER GLY SER SEQRES 2 O 217 PRO GLY GLN SER ILE THR ILE SER CYS THR GLY THR GLY SEQRES 3 O 217 SER ASN ILE GLU THR TYR ASN LEU VAL SER TRP TYR GLN SEQRES 4 O 217 ARG HIS PRO GLY LYS ALA PRO LYS LEU ILE LEU TYR GLU SEQRES 5 O 217 VAL SER GLU ARG PRO SER GLY VAL SER ASN ARG PHE SER SEQRES 6 O 217 GLY SER LYS SER GLY ASN THR ALA SER LEU THR ILE SER SEQRES 7 O 217 GLY LEU GLN ALA GLU ASP GLU ALA ASP TYR PHE CYS CYS SEQRES 8 O 217 SER TYR ALA ASP THR ASN ILE PHE TRP VAL PHE GLY GLY SEQRES 9 O 217 GLY THR HIS LEU THR VAL LEU GLY GLN PRO LYS ALA ALA SEQRES 10 O 217 PRO SER VAL THR LEU PHE PRO PRO SER SER GLU GLU LEU SEQRES 11 O 217 GLN ALA ASN LYS ALA THR LEU VAL CYS LEU ILE SER ASP SEQRES 12 O 217 PHE TYR PRO GLY ALA VAL THR VAL ALA TRP LYS ALA ASP SEQRES 13 O 217 SER SER PRO VAL LYS ALA GLY VAL GLU THR THR THR PRO SEQRES 14 O 217 SER LYS GLN SER ASN ASN LYS TYR ALA ALA SER SER TYR SEQRES 15 O 217 LEU SER LEU THR PRO GLU GLN TRP LYS SER HIS ARG SER SEQRES 16 O 217 TYR SER CYS GLN VAL THR HIS GLU GLY SER THR VAL GLU SEQRES 17 O 217 LYS THR VAL ALA PRO THR GLU CYS SER SEQRES 1 P 398 ALA HIS CYS ILE GLY ILE THR ASP ARG ASP PHE ILE GLU SEQRES 2 P 398 GLY VAL HIS GLY GLY THR TRP VAL SER ALA THR LEU GLU SEQRES 3 P 398 GLN ASP LYS CYS VAL THR VAL MET ALA PRO ASP LYS PRO SEQRES 4 P 398 SER LEU ASP ILE SER LEU GLN THR VAL ALA ILE ASP GLY SEQRES 5 P 398 PRO ALA GLU ALA ARG LYS VAL CYS TYR SER ALA VAL LEU SEQRES 6 P 398 THR HIS VAL LYS ILE ASN ASP LYS CYS PRO SER THR GLY SEQRES 7 P 398 GLU ALA HIS LEU ALA GLU GLU ASN ASP GLY ASP ASN ALA SEQRES 8 P 398 CYS LYS ARG THR TYR SER ASP ARG GLY TRP GLY ASN GLY SEQRES 9 P 398 CYS GLY LEU PHE GLY LYS GLY SER ILE VAL ALA CYS ALA SEQRES 10 P 398 LYS PHE THR CYS ALA LYS SER MET SER LEU PHE GLU VAL SEQRES 11 P 398 ASP GLN THR LYS ILE GLN TYR VAL ILE ARG ALA GLN LEU SEQRES 12 P 398 HIS VAL GLY ALA LYS GLN GLU ASN TRP ASN THR ASP ILE SEQRES 13 P 398 LYS THR LEU LYS PHE ASP ALA LEU SER GLY SER GLN GLU SEQRES 14 P 398 ALA GLU PHE THR GLY TYR GLY LYS ALA THR LEU GLU CYS SEQRES 15 P 398 GLN VAL GLN THR ALA VAL ASP PHE GLY ASN SER TYR ILE SEQRES 16 P 398 ALA GLU MET GLU LYS ASP SER TRP ILE VAL ASP ARG GLN SEQRES 17 P 398 TRP ALA GLN ASP LEU THR LEU PRO TRP GLN SER GLY SER SEQRES 18 P 398 GLY GLY ILE TRP ARG GLU MET HIS HIS LEU VAL GLU PHE SEQRES 19 P 398 GLU PRO PRO HIS ALA ALA THR ILE ARG VAL LEU ALA LEU SEQRES 20 P 398 GLY ASN GLN GLU GLY SER LEU LYS THR ALA LEU THR GLY SEQRES 21 P 398 ALA MET ARG VAL THR LYS ASP GLU ASN ASP ASN ASN LEU SEQRES 22 P 398 TYR LYS LEU HIS GLY GLY HIS VAL SER CYS ARG VAL LYS SEQRES 23 P 398 LEU SER ALA LEU THR LEU LYS GLY THR SER TYR LYS MET SEQRES 24 P 398 CYS THR ASP LYS MET SER PHE VAL LYS ASN PRO THR ASP SEQRES 25 P 398 THR GLY HIS GLY THR VAL VAL MET GLN VAL LYS VAL PRO SEQRES 26 P 398 LYS GLY ALA PRO CYS LYS ILE PRO VAL ILE VAL ALA ASP SEQRES 27 P 398 ASP LEU THR ALA ALA VAL ASN LYS GLY ILE LEU VAL THR SEQRES 28 P 398 VAL ASN PRO ILE ALA SER THR ASN ASP ASP GLU VAL LEU SEQRES 29 P 398 ILE GLU VAL ASN PRO PRO PHE GLY ASP SER TYR ILE ILE SEQRES 30 P 398 VAL GLY THR GLY ASP SER ARG LEU THR TYR GLN TRP HIS SEQRES 31 P 398 LYS GLU GLY SER SER ILE GLY LYS SEQRES 1 Q 217 GLU VAL GLN LEU VAL GLU SER GLY GLY GLY LEU VAL LYS SEQRES 2 Q 217 PRO GLY GLY SER LEU ARG LEU SER CYS ALA ALA SER GLY SEQRES 3 Q 217 PHE ILE PHE SER ASP TYR TYR MET MET TRP ILE ARG GLN SEQRES 4 Q 217 ALA PRO GLY LYS GLY LEU GLU TRP ILE SER TYR ILE SER SEQRES 5 Q 217 SER SER GLY SER GLN ILE TYR TYR THR GLU SER VAL LYS SEQRES 6 Q 217 GLY ARG PHE THR ILE SER ARG ASP ASN GLY LYS ASN LEU SEQRES 7 Q 217 LEU TYR LEU GLN MET ASN SER LEU ARG GLY GLU ASP THR SEQRES 8 Q 217 ALA LEU TYR TYR CYS ALA THR GLU THR GLY TRP ARG ILE SEQRES 9 Q 217 ASP THR TRP GLY GLN GLY THR LEU VAL THR VAL SER SER SEQRES 10 Q 217 ALA SER THR LYS GLY PRO SER VAL PHE PRO LEU ALA PRO SEQRES 11 Q 217 SER SER LYS SER THR SER GLY GLY THR ALA ALA LEU GLY SEQRES 12 Q 217 CYS LEU VAL LYS ASP TYR PHE PRO GLU PRO VAL THR VAL SEQRES 13 Q 217 SER TRP ASN SER GLY ALA LEU THR SER GLY VAL HIS THR SEQRES 14 Q 217 PHE PRO ALA VAL LEU GLN SER SER GLY LEU TYR SER LEU SEQRES 15 Q 217 SER SER VAL VAL THR VAL PRO SER SER SER LEU GLY THR SEQRES 16 Q 217 GLN THR TYR ILE CYS ASN VAL ASN HIS LYS PRO SER ASN SEQRES 17 Q 217 THR LYS VAL ASP LYS ARG VAL GLU PRO SEQRES 1 R 217 GLN ALA VAL LEU THR GLN PRO ALA SER VAL SER GLY SER SEQRES 2 R 217 PRO GLY GLN SER ILE THR ILE SER CYS THR GLY THR GLY SEQRES 3 R 217 SER ASN ILE GLU THR TYR ASN LEU VAL SER TRP TYR GLN SEQRES 4 R 217 ARG HIS PRO GLY LYS ALA PRO LYS LEU ILE LEU TYR GLU SEQRES 5 R 217 VAL SER GLU ARG PRO SER GLY VAL SER ASN ARG PHE SER SEQRES 6 R 217 GLY SER LYS SER GLY ASN THR ALA SER LEU THR ILE SER SEQRES 7 R 217 GLY LEU GLN ALA GLU ASP GLU ALA ASP TYR PHE CYS CYS SEQRES 8 R 217 SER TYR ALA ASP THR ASN ILE PHE TRP VAL PHE GLY GLY SEQRES 9 R 217 GLY THR HIS LEU THR VAL LEU GLY GLN PRO LYS ALA ALA SEQRES 10 R 217 PRO SER VAL THR LEU PHE PRO PRO SER SER GLU GLU LEU SEQRES 11 R 217 GLN ALA ASN LYS ALA THR LEU VAL CYS LEU ILE SER ASP SEQRES 12 R 217 PHE TYR PRO GLY ALA VAL THR VAL ALA TRP LYS ALA ASP SEQRES 13 R 217 SER SER PRO VAL LYS ALA GLY VAL GLU THR THR THR PRO SEQRES 14 R 217 SER LYS GLN SER ASN ASN LYS TYR ALA ALA SER SER TYR SEQRES 15 R 217 LEU SER LEU THR PRO GLU GLN TRP LYS SER HIS ARG SER SEQRES 16 R 217 TYR SER CYS GLN VAL THR HIS GLU GLY SER THR VAL GLU SEQRES 17 R 217 LYS THR VAL ALA PRO THR GLU CYS SER HELIX 1 AA1 HIS A 2 ILE A 6 5 5 HELIX 2 AA2 LEU A 82 ASN A 86 5 5 HELIX 3 AA3 GLY A 100 GLY A 104 5 5 HELIX 4 AA4 ASP A 131 THR A 133 5 3 HELIX 5 AA5 LYS A 148 GLU A 150 5 3 HELIX 6 AA6 ASN A 151 ILE A 156 1 6 HELIX 7 AA7 ARG A 207 ASP A 212 1 6 HELIX 8 AA8 GLU A 227 HIS A 230 5 4 HELIX 9 AA9 GLN A 250 LEU A 258 1 9 HELIX 10 AB1 THR A 380 ARG A 384 5 5 HELIX 11 AB2 ILE H 28 TYR H 32 5 5 HELIX 12 AB3 ARG H 87 THR H 91 5 5 HELIX 13 AB4 GLN L 81 GLU L 85 5 5 HELIX 14 AB5 SER L 126 GLN L 131 1 6 HELIX 15 AB6 THR L 186 HIS L 193 1 8 HELIX 16 AB7 HIS E 2 ILE E 6 5 5 HELIX 17 AB8 LEU E 82 ASP E 87 5 6 HELIX 18 AB9 GLY E 100 GLY E 104 5 5 HELIX 19 AC1 ASP E 131 THR E 133 5 3 HELIX 20 AC2 LYS E 148 TRP E 152 5 5 HELIX 21 AC3 ARG E 207 ASP E 212 1 6 HELIX 22 AC4 GLU E 227 HIS E 230 5 4 HELIX 23 AC5 GLN E 250 LEU E 258 1 9 HELIX 24 AC6 ILE F 28 TYR F 32 5 5 HELIX 25 AC7 ARG F 87 THR F 91 5 5 HELIX 26 AC8 GLN G 81 GLU G 85 5 5 HELIX 27 AC9 SER G 126 ALA G 132 1 7 HELIX 28 AD1 THR G 186 HIS G 193 1 8 HELIX 29 AD2 HIS B 2 ILE B 6 5 5 HELIX 30 AD3 LEU B 82 ASP B 87 5 6 HELIX 31 AD4 GLY B 100 GLY B 104 5 5 HELIX 32 AD5 ASP B 131 THR B 133 5 3 HELIX 33 AD6 LYS B 148 GLU B 150 5 3 HELIX 34 AD7 ASN B 151 ILE B 156 1 6 HELIX 35 AD8 ARG B 207 ASP B 212 1 6 HELIX 36 AD9 GLU B 227 HIS B 230 5 4 HELIX 37 AE1 GLN B 250 LEU B 258 1 9 HELIX 38 AE2 ILE C 28 TYR C 32 5 5 HELIX 39 AE3 ARG C 87 THR C 91 5 5 HELIX 40 AE4 GLN D 81 GLU D 85 5 5 HELIX 41 AE5 GLU D 129 ASN D 133 5 5 HELIX 42 AE6 THR D 186 HIS D 193 1 8 HELIX 43 AE7 LEU I 82 ASP I 87 5 6 HELIX 44 AE8 GLY I 100 GLY I 104 5 5 HELIX 45 AE9 ASP I 131 ILE I 135 5 5 HELIX 46 AF1 LYS I 148 GLU I 150 5 3 HELIX 47 AF2 ASN I 151 ILE I 156 1 6 HELIX 48 AF3 ARG I 207 ASP I 212 1 6 HELIX 49 AF4 GLU I 227 HIS I 230 5 4 HELIX 50 AF5 GLN I 250 LEU I 258 1 9 HELIX 51 AF6 ILE J 28 TYR J 32 5 5 HELIX 52 AF7 ARG J 87 THR J 91 5 5 HELIX 53 AF8 GLN K 81 GLU K 85 5 5 HELIX 54 AF9 SER K 126 GLN K 131 1 6 HELIX 55 AG1 HIS M 2 ILE M 6 5 5 HELIX 56 AG2 LEU M 82 ASP M 87 5 6 HELIX 57 AG3 GLY M 100 GLY M 104 5 5 HELIX 58 AG4 ASP M 131 THR M 133 5 3 HELIX 59 AG5 LYS M 148 GLU M 150 5 3 HELIX 60 AG6 ASN M 151 ILE M 156 1 6 HELIX 61 AG7 ARG M 207 ASP M 212 1 6 HELIX 62 AG8 GLU M 227 HIS M 230 5 4 HELIX 63 AG9 GLN M 250 LEU M 258 1 9 HELIX 64 AH1 ILE N 28 TYR N 32 5 5 HELIX 65 AH2 ARG N 87 THR N 91 5 5 HELIX 66 AH3 PRO N 189 LEU N 193 5 5 HELIX 67 AH4 SER O 126 ALA O 132 1 7 HELIX 68 AH5 THR O 186 HIS O 193 1 8 HELIX 69 AH6 LEU P 82 ASP P 87 5 6 HELIX 70 AH7 GLY P 100 GLY P 104 5 5 HELIX 71 AH8 ASP P 131 ILE P 135 5 5 HELIX 72 AH9 LYS P 148 GLU P 150 5 3 HELIX 73 AI1 ASN P 151 ILE P 156 1 6 HELIX 74 AI2 ARG P 207 ASP P 212 1 6 HELIX 75 AI3 GLU P 227 HIS P 230 5 4 HELIX 76 AI4 GLN P 250 LEU P 258 1 9 HELIX 77 AI5 ILE Q 28 TYR Q 32 5 5 HELIX 78 AI6 ARG Q 87 THR Q 91 5 5 HELIX 79 AI7 PRO Q 189 LEU Q 193 5 5 HELIX 80 AI8 LYS Q 205 ASN Q 208 5 4 HELIX 81 AI9 GLN R 81 GLU R 85 5 5 HELIX 82 AJ1 SER R 126 GLN R 131 1 6 HELIX 83 AJ2 THR R 186 HIS R 193 1 8 SHEET 1 AA1 7 ARG A 9 GLU A 13 0 SHEET 2 AA1 7 CYS A 30 MET A 34 1 O MET A 34 N ILE A 12 SHEET 3 AA1 7 LEU A 41 ASP A 51 -1 O LEU A 41 N VAL A 33 SHEET 4 AA1 7 ILE A 135 LEU A 143 -1 O GLN A 136 N ALA A 49 SHEET 5 AA1 7 LYS A 157 PHE A 161 -1 O LYS A 157 N ALA A 141 SHEET 6 AA1 7 ARG A 263 LYS A 266 0 SHEET 7 AA1 7 LEU A 273 HIS A 277 -1 O LYS A 275 N THR A 265 SHEET 1 AA2 4 TRP A 20 GLU A 26 0 SHEET 2 AA2 4 HIS A 280 LYS A 286 -1 O VAL A 281 N LEU A 25 SHEET 3 AA2 4 GLY A 176 GLN A 185 -1 N THR A 179 O LYS A 286 SHEET 4 AA2 4 GLN A 168 PHE A 172 -1 N GLN A 168 O LEU A 180 SHEET 1 AA3 7 ALA A 54 LEU A 65 0 SHEET 2 AA3 7 LYS A 69 ASP A 72 0 SHEET 3 AA3 7 ASN A 90 ARG A 99 0 SHEET 4 AA3 7 GLY A 109 GLU A 129 -1 O GLY A 111 N SER A 97 SHEET 5 AA3 7 SER A 193 GLU A 197 -1 O ILE A 195 N PHE A 128 SHEET 6 AA3 7 SER A 202 ASP A 206 -1 O TRP A 203 N ALA A 196 SHEET 7 AA3 7 TRP A 217 GLN A 218 -1 O GLN A 218 N LYS A 58 SHEET 1 AA4 2 VAL A 232 PHE A 234 0 SHEET 2 AA4 2 VAL A 244 ALA A 246 -1 O LEU A 245 N GLU A 233 SHEET 1 AA5 3 LYS A 298 MET A 299 0 SHEET 2 AA5 3 CYS A 330 LYS A 331 1 O LYS A 331 N LYS A 298 SHEET 3 AA5 3 ILE A 355 ALA A 356 -1 O ALA A 356 N CYS A 330 SHEET 1 AA6 4 SER A 305 ASP A 312 0 SHEET 2 AA6 4 VAL A 318 VAL A 324 -1 O LYS A 323 N SER A 305 SHEET 3 AA6 4 ASP A 361 ASN A 368 -1 O ILE A 365 N MET A 320 SHEET 4 AA6 4 ILE A 348 LEU A 349 -1 N ILE A 348 O ASN A 368 SHEET 1 AA7 3 VAL A 334 ALA A 337 0 SHEET 2 AA7 3 GLY A 372 VAL A 378 -1 O ILE A 377 N ILE A 335 SHEET 3 AA7 3 LEU A 385 LYS A 391 -1 O LEU A 385 N VAL A 378 SHEET 1 AA8 4 GLN H 3 SER H 7 0 SHEET 2 AA8 4 SER H 17 SER H 25 -1 O ALA H 23 N VAL H 5 SHEET 3 AA8 4 LEU H 78 ASN H 84 -1 O MET H 83 N LEU H 18 SHEET 4 AA8 4 PHE H 68 ASP H 73 -1 N SER H 71 O TYR H 80 SHEET 1 AA9 7 LEU H 11 VAL H 12 0 SHEET 2 AA9 7 TYR H 33 GLN H 39 0 SHEET 3 AA9 7 LEU H 45 ILE H 51 -1 O ILE H 51 N MET H 34 SHEET 4 AA9 7 ILE H 58 TYR H 60 -1 O TYR H 59 N TYR H 50 SHEET 5 AA9 7 ALA H 92 THR H 100 -1 O TYR H 95 N ILE H 37 SHEET 6 AA9 7 ARG H 103 ILE H 104 -1 O ARG H 103 N THR H 100 SHEET 7 AA9 7 THR H 111 VAL H 115 -1 O THR H 111 N TYR H 94 SHEET 1 AB1 4 SER H 124 LEU H 128 0 SHEET 2 AB1 4 ALA H 140 TYR H 149 -1 O LEU H 145 N PHE H 126 SHEET 3 AB1 4 TYR H 180 VAL H 188 -1 O TYR H 180 N TYR H 149 SHEET 4 AB1 4 VAL H 167 LEU H 174 -1 N HIS H 168 O VAL H 185 SHEET 1 AB2 4 VAL H 154 TRP H 158 0 SHEET 2 AB2 4 TYR H 198 HIS H 204 -1 O ASN H 201 N SER H 157 SHEET 3 AB2 4 THR H 209 VAL H 211 -1 O VAL H 211 N VAL H 202 SHEET 4 AB2 4 ARG H 214 VAL H 215 -1 O VAL H 215 N TYR H 198 SHEET 1 AB3 6 SER L 9 GLY L 12 0 SHEET 2 AB3 6 VAL L 35 ARG L 40 0 SHEET 3 AB3 6 LYS L 47 LEU L 50 -1 O LYS L 47 N GLN L 39 SHEET 4 AB3 6 ASP L 87 TYR L 93 -1 O ASP L 87 N ARG L 40 SHEET 5 AB3 6 TRP L 100 PHE L 102 -1 O VAL L 101 N SER L 92 SHEET 6 AB3 6 THR L 106 VAL L 110 -1 O THR L 106 N TYR L 88 SHEET 1 AB4 3 ILE L 18 THR L 23 0 SHEET 2 AB4 3 THR L 72 ILE L 77 -1 O LEU L 75 N ILE L 20 SHEET 3 AB4 3 PHE L 64 SER L 69 -1 N SER L 65 O THR L 76 SHEET 1 AB5 5 SER L 119 PHE L 123 0 SHEET 2 AB5 5 ALA L 135 PHE L 144 -1 O SER L 142 N SER L 119 SHEET 3 AB5 5 VAL L 164 THR L 166 0 SHEET 4 AB5 5 SER L 170 LYS L 171 0 SHEET 5 AB5 5 TYR L 177 LEU L 185 -1 O ALA L 178 N SER L 170 SHEET 1 AB6 4 SER L 158 PRO L 159 0 SHEET 2 AB6 4 THR L 150 ALA L 155 -1 N ALA L 155 O SER L 158 SHEET 3 AB6 4 TYR L 196 HIS L 202 -1 O GLN L 199 N ALA L 152 SHEET 4 AB6 4 SER L 205 VAL L 211 -1 O VAL L 207 N VAL L 200 SHEET 1 AB714 ARG E 9 GLU E 13 0 SHEET 2 AB714 CYS E 30 ALA E 35 1 O MET E 34 N ILE E 12 SHEET 3 AB714 LYS E 38 ASP E 51 -1 O LEU E 41 N VAL E 33 SHEET 4 AB714 ALA E 54 LEU E 65 0 SHEET 5 AB714 LYS E 69 ASP E 72 0 SHEET 6 AB714 ASN E 90 ARG E 99 0 SHEET 7 AB714 GLY E 109 GLU E 129 -1 O ALA E 117 N ALA E 91 SHEET 8 AB714 ILE E 135 LEU E 143 -1 O GLN E 142 N ASP E 42 SHEET 9 AB714 LYS E 157 PHE E 161 -1 O LEU E 159 N ILE E 139 SHEET 10 AB714 SER E 193 MET E 198 -1 O ILE E 195 N PHE E 128 SHEET 11 AB714 ASP E 201 ASP E 206 -1 O TRP E 203 N ALA E 196 SHEET 12 AB714 TRP E 217 GLN E 218 -1 O GLN E 218 N LYS E 58 SHEET 13 AB714 ARG E 263 THR E 265 -1 O VAL E 264 N SER E 202 SHEET 14 AB714 LEU E 273 LEU E 276 -1 O LYS E 275 N THR E 265 SHEET 1 AB8 4 TRP E 20 GLU E 26 0 SHEET 2 AB8 4 HIS E 280 LYS E 286 -1 O VAL E 281 N LEU E 25 SHEET 3 AB8 4 GLY E 176 GLN E 185 -1 N THR E 179 O LYS E 286 SHEET 4 AB8 4 GLN E 168 PHE E 172 -1 N GLN E 168 O LEU E 180 SHEET 1 AB9 2 VAL E 232 PHE E 234 0 SHEET 2 AB9 2 VAL E 244 ALA E 246 -1 O LEU E 245 N GLU E 233 SHEET 1 AC1 3 LYS E 298 MET E 299 0 SHEET 2 AC1 3 CYS E 330 LYS E 331 1 O LYS E 331 N LYS E 298 SHEET 3 AC1 3 ILE E 355 ALA E 356 -1 O ALA E 356 N CYS E 330 SHEET 1 AC2 4 SER E 305 ASP E 312 0 SHEET 2 AC2 4 VAL E 318 VAL E 324 -1 O LYS E 323 N SER E 305 SHEET 3 AC2 4 ASP E 361 ASN E 368 -1 O ILE E 365 N MET E 320 SHEET 4 AC2 4 ILE E 348 LEU E 349 -1 N ILE E 348 O ASN E 368 SHEET 1 AC3 3 VAL E 334 ALA E 337 0 SHEET 2 AC3 3 GLY E 372 VAL E 378 -1 O ILE E 377 N ILE E 335 SHEET 3 AC3 3 LEU E 385 LYS E 391 -1 O LEU E 385 N VAL E 378 SHEET 1 AC4 4 GLN F 3 SER F 7 0 SHEET 2 AC4 4 SER F 17 SER F 25 -1 O ALA F 23 N VAL F 5 SHEET 3 AC4 4 LEU F 78 ASN F 84 -1 O LEU F 79 N CYS F 22 SHEET 4 AC4 4 THR F 69 ARG F 72 -1 N SER F 71 O TYR F 80 SHEET 1 AC5 7 LEU F 11 VAL F 12 0 SHEET 2 AC5 7 TYR F 33 GLN F 39 0 SHEET 3 AC5 7 LEU F 45 ILE F 51 -1 O ILE F 51 N MET F 34 SHEET 4 AC5 7 ILE F 58 TYR F 60 -1 O TYR F 59 N TYR F 50 SHEET 5 AC5 7 ALA F 92 THR F 100 -1 O TYR F 95 N ILE F 37 SHEET 6 AC5 7 ARG F 103 ILE F 104 -1 O ARG F 103 N THR F 100 SHEET 7 AC5 7 THR F 111 VAL F 115 -1 O THR F 111 N TYR F 94 SHEET 1 AC6 4 PHE F 126 LEU F 128 0 SHEET 2 AC6 4 ALA F 140 TYR F 149 -1 O LEU F 145 N PHE F 126 SHEET 3 AC6 4 TYR F 180 VAL F 188 -1 O VAL F 188 N ALA F 140 SHEET 4 AC6 4 VAL F 167 LEU F 174 -1 N HIS F 168 O VAL F 185 SHEET 1 AC7 3 THR F 155 TRP F 158 0 SHEET 2 AC7 3 TYR F 198 HIS F 204 -1 O ASN F 203 N THR F 155 SHEET 3 AC7 3 THR F 209 VAL F 215 -1 O THR F 209 N HIS F 204 SHEET 1 AC8 6 SER G 9 GLY G 12 0 SHEET 2 AC8 6 VAL G 35 ARG G 40 0 SHEET 3 AC8 6 LYS G 47 LEU G 50 -1 O LEU G 50 N TRP G 37 SHEET 4 AC8 6 ASP G 87 TYR G 93 -1 O CYS G 91 N SER G 36 SHEET 5 AC8 6 TRP G 100 PHE G 102 -1 O VAL G 101 N SER G 92 SHEET 6 AC8 6 THR G 106 VAL G 110 -1 O THR G 106 N TYR G 88 SHEET 1 AC9 3 SER G 17 THR G 23 0 SHEET 2 AC9 3 THR G 72 SER G 78 -1 O LEU G 75 N ILE G 20 SHEET 3 AC9 3 PHE G 64 SER G 69 -1 N SER G 67 O SER G 74 SHEET 1 AD1 5 SER G 119 PHE G 123 0 SHEET 2 AD1 5 ALA G 135 PHE G 144 -1 O LEU G 140 N THR G 121 SHEET 3 AD1 5 VAL G 164 THR G 166 0 SHEET 4 AD1 5 SER G 170 LYS G 171 0 SHEET 5 AD1 5 TYR G 177 LEU G 185 -1 O ALA G 178 N SER G 170 SHEET 1 AD2 4 SER G 158 PRO G 159 0 SHEET 2 AD2 4 THR G 150 ALA G 155 -1 N ALA G 155 O SER G 158 SHEET 3 AD2 4 TYR G 196 HIS G 202 -1 O THR G 201 N THR G 150 SHEET 4 AD2 4 SER G 205 VAL G 211 -1 O VAL G 207 N VAL G 200 SHEET 1 AD3 7 ARG B 9 GLU B 13 0 SHEET 2 AD3 7 CYS B 30 ALA B 35 1 O THR B 32 N ASP B 10 SHEET 3 AD3 7 LYS B 38 ILE B 50 -1 O ILE B 43 N VAL B 31 SHEET 4 AD3 7 ILE B 135 LEU B 143 -1 O GLN B 142 N ASP B 42 SHEET 5 AD3 7 LYS B 157 PHE B 161 -1 O LEU B 159 N ILE B 139 SHEET 6 AD3 7 ARG B 263 LYS B 266 0 SHEET 7 AD3 7 TYR B 274 HIS B 277 -1 O LYS B 275 N THR B 265 SHEET 1 AD4 4 TRP B 20 GLU B 26 0 SHEET 2 AD4 4 HIS B 280 LYS B 286 -1 O CYS B 283 N ALA B 23 SHEET 3 AD4 4 GLY B 176 GLN B 185 -1 N THR B 179 O LYS B 286 SHEET 4 AD4 4 SER B 167 PHE B 172 -1 N PHE B 172 O GLY B 176 SHEET 1 AD5 7 ALA B 54 LEU B 65 0 SHEET 2 AD5 7 LYS B 69 ASP B 72 0 SHEET 3 AD5 7 ASN B 90 ARG B 99 0 SHEET 4 AD5 7 GLY B 109 GLU B 129 -1 O ALA B 117 N ALA B 91 SHEET 5 AD5 7 SER B 193 GLU B 197 -1 O ILE B 195 N PHE B 128 SHEET 6 AD5 7 SER B 202 ASP B 206 -1 O VAL B 205 N TYR B 194 SHEET 7 AD5 7 TRP B 217 GLN B 218 -1 O GLN B 218 N LYS B 58 SHEET 1 AD6 2 VAL B 232 PHE B 234 0 SHEET 2 AD6 2 VAL B 244 ALA B 246 -1 O LEU B 245 N GLU B 233 SHEET 1 AD7 3 LYS B 298 MET B 299 0 SHEET 2 AD7 3 CYS B 330 LYS B 331 1 O LYS B 331 N LYS B 298 SHEET 3 AD7 3 ILE B 355 ALA B 356 -1 O ALA B 356 N CYS B 330 SHEET 1 AD8 4 SER B 305 ASP B 312 0 SHEET 2 AD8 4 VAL B 318 VAL B 324 -1 O LYS B 323 N SER B 305 SHEET 3 AD8 4 ASP B 361 ASN B 368 -1 O ILE B 365 N MET B 320 SHEET 4 AD8 4 ILE B 348 LEU B 349 -1 N ILE B 348 O ASN B 368 SHEET 1 AD9 3 VAL B 334 ALA B 337 0 SHEET 2 AD9 3 GLY B 372 VAL B 378 -1 O ILE B 377 N ILE B 335 SHEET 3 AD9 3 LEU B 385 LYS B 391 -1 O LEU B 385 N VAL B 378 SHEET 1 AE1 4 GLN C 3 SER C 7 0 SHEET 2 AE1 4 LEU C 18 SER C 25 -1 O SER C 21 N SER C 7 SHEET 3 AE1 4 LEU C 78 MET C 83 -1 O MET C 83 N LEU C 18 SHEET 4 AE1 4 PHE C 68 ASP C 73 -1 N SER C 71 O TYR C 80 SHEET 1 AE2 7 GLY C 10 LEU C 11 0 SHEET 2 AE2 7 TYR C 33 GLN C 39 0 SHEET 3 AE2 7 LEU C 45 ILE C 51 -1 O ILE C 51 N MET C 34 SHEET 4 AE2 7 ILE C 58 TYR C 60 -1 O TYR C 59 N TYR C 50 SHEET 5 AE2 7 ALA C 92 THR C 100 -1 O TYR C 95 N ILE C 37 SHEET 6 AE2 7 ARG C 103 TRP C 107 -1 O THR C 106 N THR C 98 SHEET 7 AE2 7 THR C 111 THR C 114 -1 O THR C 111 N TYR C 94 SHEET 1 AE3 4 SER C 124 SER C 131 0 SHEET 2 AE3 4 ALA C 140 TYR C 149 -1 O LEU C 145 N PHE C 126 SHEET 3 AE3 4 TYR C 180 VAL C 188 -1 O TYR C 180 N TYR C 149 SHEET 4 AE3 4 VAL C 167 THR C 169 -1 N HIS C 168 O VAL C 185 SHEET 1 AE4 2 VAL C 202 HIS C 204 0 SHEET 2 AE4 2 THR C 209 VAL C 211 -1 O THR C 209 N HIS C 204 SHEET 1 AE5 4 ALA D 2 THR D 5 0 SHEET 2 AE5 4 ILE D 18 GLY D 26 -1 O THR D 25 N VAL D 3 SHEET 3 AE5 4 THR D 72 ILE D 77 -1 O LEU D 75 N ILE D 20 SHEET 4 AE5 4 PHE D 64 SER D 69 -1 N SER D 65 O THR D 76 SHEET 1 AE6 6 SER D 9 GLY D 12 0 SHEET 2 AE6 6 VAL D 35 ARG D 40 0 SHEET 3 AE6 6 LYS D 47 LEU D 50 -1 O LYS D 47 N GLN D 39 SHEET 4 AE6 6 ASP D 87 TYR D 93 -1 O CYS D 91 N SER D 36 SHEET 5 AE6 6 TRP D 100 PHE D 102 -1 O VAL D 101 N SER D 92 SHEET 6 AE6 6 THR D 106 VAL D 110 -1 O THR D 106 N TYR D 88 SHEET 1 AE7 5 SER D 119 PHE D 123 0 SHEET 2 AE7 5 ALA D 135 PHE D 144 -1 O SER D 142 N SER D 119 SHEET 3 AE7 5 VAL D 164 THR D 166 0 SHEET 4 AE7 5 SER D 170 LYS D 171 0 SHEET 5 AE7 5 TYR D 177 LEU D 185 -1 O ALA D 178 N SER D 170 SHEET 1 AE8 4 SER D 158 PRO D 159 0 SHEET 2 AE8 4 THR D 150 ALA D 155 -1 N ALA D 155 O SER D 158 SHEET 3 AE8 4 TYR D 196 HIS D 202 -1 O THR D 201 N THR D 150 SHEET 4 AE8 4 SER D 205 VAL D 211 -1 O VAL D 207 N VAL D 200 SHEET 1 AE9 7 ARG I 9 GLU I 13 0 SHEET 2 AE9 7 CYS I 30 ALA I 35 1 O THR I 32 N ASP I 10 SHEET 3 AE9 7 LYS I 38 ILE I 50 -1 O LEU I 41 N VAL I 33 SHEET 4 AE9 7 GLN I 136 LEU I 143 -1 O GLN I 142 N ASP I 42 SHEET 5 AE9 7 LYS I 157 PHE I 161 -1 O LEU I 159 N ILE I 139 SHEET 6 AE9 7 VAL I 264 LYS I 266 0 SHEET 7 AE9 7 TYR I 274 LEU I 276 -1 O LYS I 275 N THR I 265 SHEET 1 AF1 4 TRP I 20 LEU I 25 0 SHEET 2 AF1 4 HIS I 280 LYS I 286 -1 O VAL I 281 N LEU I 25 SHEET 3 AF1 4 GLY I 176 GLN I 185 -1 N THR I 179 O LYS I 286 SHEET 4 AF1 4 GLN I 168 PHE I 172 -1 N GLN I 168 O LEU I 180 SHEET 1 AF2 7 ALA I 54 LEU I 65 0 SHEET 2 AF2 7 LYS I 69 ASP I 72 0 SHEET 3 AF2 7 ASN I 90 ARG I 99 0 SHEET 4 AF2 7 GLY I 109 GLU I 129 -1 O ALA I 117 N ALA I 91 SHEET 5 AF2 7 SER I 193 GLU I 197 -1 O GLU I 197 N SER I 126 SHEET 6 AF2 7 SER I 202 ASP I 206 -1 O VAL I 205 N TYR I 194 SHEET 7 AF2 7 TRP I 217 GLN I 218 -1 O GLN I 218 N LYS I 58 SHEET 1 AF3 2 VAL I 232 PHE I 234 0 SHEET 2 AF3 2 VAL I 244 ALA I 246 -1 O LEU I 245 N GLU I 233 SHEET 1 AF4 3 LYS I 298 MET I 299 0 SHEET 2 AF4 3 CYS I 330 LYS I 331 1 O LYS I 331 N LYS I 298 SHEET 3 AF4 3 ILE I 355 ALA I 356 -1 O ALA I 356 N CYS I 330 SHEET 1 AF5 4 SER I 305 ASP I 312 0 SHEET 2 AF5 4 VAL I 318 VAL I 324 -1 O LYS I 323 N SER I 305 SHEET 3 AF5 4 ASP I 361 ASN I 368 -1 O ILE I 365 N MET I 320 SHEET 4 AF5 4 ILE I 348 LEU I 349 -1 N ILE I 348 O ASN I 368 SHEET 1 AF6 3 VAL I 334 ALA I 337 0 SHEET 2 AF6 3 GLY I 372 VAL I 378 -1 O ILE I 377 N ILE I 335 SHEET 3 AF6 3 LEU I 385 LYS I 391 -1 O LEU I 385 N VAL I 378 SHEET 1 AF7 4 GLN J 3 SER J 7 0 SHEET 2 AF7 4 SER J 17 SER J 25 -1 O ALA J 23 N VAL J 5 SHEET 3 AF7 4 LEU J 78 ASN J 84 -1 O MET J 83 N LEU J 18 SHEET 4 AF7 4 PHE J 68 ASP J 73 -1 N ASP J 73 O LEU J 78 SHEET 1 AF8 7 LEU J 11 VAL J 12 0 SHEET 2 AF8 7 TYR J 33 GLN J 39 0 SHEET 3 AF8 7 GLU J 46 ILE J 51 -1 O ILE J 51 N MET J 34 SHEET 4 AF8 7 ILE J 58 TYR J 60 -1 O TYR J 59 N TYR J 50 SHEET 5 AF8 7 ALA J 92 THR J 100 -1 O TYR J 95 N ILE J 37 SHEET 6 AF8 7 ARG J 103 TRP J 107 -1 O ASP J 105 N THR J 98 SHEET 7 AF8 7 THR J 111 VAL J 115 -1 O THR J 111 N TYR J 94 SHEET 1 AF9 5 VAL J 125 PRO J 127 0 SHEET 2 AF9 5 THR J 139 TYR J 149 -1 O LEU J 145 N PHE J 126 SHEET 3 AF9 5 HIS J 168 THR J 169 0 SHEET 4 AF9 5 VAL J 173 LEU J 174 0 SHEET 5 AF9 5 TYR J 180 PRO J 189 -1 O SER J 181 N VAL J 173 SHEET 1 AG1 3 VAL J 154 THR J 155 0 SHEET 2 AG1 3 ASN J 203 HIS J 204 -1 O ASN J 203 N THR J 155 SHEET 3 AG1 3 THR J 209 LYS J 210 -1 O THR J 209 N HIS J 204 SHEET 1 AG2 2 TYR J 198 CYS J 200 0 SHEET 2 AG2 2 LYS J 213 VAL J 215 -1 O LYS J 213 N CYS J 200 SHEET 1 AG3 6 SER K 9 GLY K 12 0 SHEET 2 AG3 6 VAL K 35 ARG K 40 0 SHEET 3 AG3 6 LYS K 47 LEU K 50 -1 O LYS K 47 N GLN K 39 SHEET 4 AG3 6 ALA K 86 SER K 92 -1 O CYS K 91 N SER K 36 SHEET 5 AG3 6 VAL K 101 PHE K 102 -1 O VAL K 101 N SER K 92 SHEET 6 AG3 6 THR K 106 VAL K 110 -1 O LEU K 108 N ALA K 86 SHEET 1 AG4 3 ILE K 18 THR K 23 0 SHEET 2 AG4 3 THR K 72 ILE K 77 -1 O LEU K 75 N ILE K 20 SHEET 3 AG4 3 PHE K 64 SER K 69 -1 N SER K 65 O THR K 76 SHEET 1 AG5 5 SER K 119 PHE K 123 0 SHEET 2 AG5 5 ALA K 135 PHE K 144 -1 O LEU K 140 N THR K 121 SHEET 3 AG5 5 VAL K 164 THR K 166 0 SHEET 4 AG5 5 SER K 170 LYS K 171 0 SHEET 5 AG5 5 TYR K 177 LEU K 185 -1 O ALA K 178 N SER K 170 SHEET 1 AG6 3 THR K 150 ALA K 155 0 SHEET 2 AG6 3 TYR K 196 HIS K 202 -1 O THR K 201 N THR K 150 SHEET 3 AG6 3 SER K 205 VAL K 211 -1 O VAL K 207 N VAL K 200 SHEET 1 AG7 7 ASP M 8 GLU M 13 0 SHEET 2 AG7 7 LYS M 29 ALA M 35 1 O THR M 32 N ASP M 10 SHEET 3 AG7 7 LYS M 38 ILE M 50 -1 O ILE M 43 N VAL M 31 SHEET 4 AG7 7 ILE M 135 LEU M 143 -1 O GLN M 142 N ASP M 42 SHEET 5 AG7 7 LYS M 157 PHE M 161 -1 O LEU M 159 N ILE M 139 SHEET 6 AG7 7 VAL M 264 LYS M 266 0 SHEET 7 AG7 7 TYR M 274 LEU M 276 -1 O LYS M 275 N THR M 265 SHEET 1 AG8 4 TRP M 20 LEU M 25 0 SHEET 2 AG8 4 VAL M 281 LYS M 286 -1 O CYS M 283 N ALA M 23 SHEET 3 AG8 4 GLY M 176 VAL M 184 -1 N THR M 179 O LYS M 286 SHEET 4 AG8 4 SER M 167 PHE M 172 -1 N ALA M 170 O ALA M 178 SHEET 1 AG9 7 ALA M 54 LEU M 65 0 SHEET 2 AG9 7 LYS M 69 LYS M 73 0 SHEET 3 AG9 7 ASN M 90 ARG M 99 0 SHEET 4 AG9 7 GLY M 109 GLU M 129 -1 O ALA M 117 N ALA M 91 SHEET 5 AG9 7 SER M 193 GLU M 197 -1 O ILE M 195 N PHE M 128 SHEET 6 AG9 7 SER M 202 ASP M 206 -1 O TRP M 203 N ALA M 196 SHEET 7 AG9 7 TRP M 217 GLN M 218 -1 O GLN M 218 N LYS M 58 SHEET 1 AH1 2 VAL M 232 PHE M 234 0 SHEET 2 AH1 2 VAL M 244 ALA M 246 -1 O LEU M 245 N GLU M 233 SHEET 1 AH2 3 LYS M 298 MET M 299 0 SHEET 2 AH2 3 CYS M 330 LYS M 331 1 O LYS M 331 N LYS M 298 SHEET 3 AH2 3 ILE M 355 ALA M 356 -1 O ALA M 356 N CYS M 330 SHEET 1 AH3 4 SER M 305 ASP M 312 0 SHEET 2 AH3 4 VAL M 318 VAL M 324 -1 O LYS M 323 N SER M 305 SHEET 3 AH3 4 ASP M 361 ASN M 368 -1 O ILE M 365 N MET M 320 SHEET 4 AH3 4 ILE M 348 LEU M 349 -1 N ILE M 348 O ASN M 368 SHEET 1 AH4 3 ILE M 335 ALA M 337 0 SHEET 2 AH4 3 GLY M 372 VAL M 378 -1 O ILE M 377 N ILE M 335 SHEET 3 AH4 3 LEU M 385 LYS M 391 -1 O LEU M 385 N VAL M 378 SHEET 1 AH5 4 GLN N 3 SER N 7 0 SHEET 2 AH5 4 LEU N 18 SER N 25 -1 O SER N 21 N SER N 7 SHEET 3 AH5 4 LEU N 78 MET N 83 -1 O MET N 83 N LEU N 18 SHEET 4 AH5 4 THR N 69 ASP N 73 -1 N THR N 69 O GLN N 82 SHEET 1 AH6 6 LEU N 11 VAL N 12 0 SHEET 2 AH6 6 THR N 111 VAL N 115 1 O THR N 114 N VAL N 12 SHEET 3 AH6 6 ALA N 92 GLU N 99 -1 N TYR N 94 O THR N 111 SHEET 4 AH6 6 TYR N 33 GLN N 39 -1 N ILE N 37 O TYR N 95 SHEET 5 AH6 6 LEU N 45 ILE N 51 -1 O ILE N 51 N MET N 34 SHEET 6 AH6 6 ILE N 58 TYR N 60 -1 O TYR N 59 N TYR N 50 SHEET 1 AH7 5 SER N 124 SER N 132 0 SHEET 2 AH7 5 ALA N 140 TYR N 149 -1 O LEU N 145 N PHE N 126 SHEET 3 AH7 5 HIS N 168 THR N 169 0 SHEET 4 AH7 5 VAL N 173 LEU N 174 0 SHEET 5 AH7 5 TYR N 180 VAL N 188 -1 O SER N 181 N VAL N 173 SHEET 1 AH8 3 THR N 155 TRP N 158 0 SHEET 2 AH8 3 TYR N 198 HIS N 204 -1 O ASN N 203 N THR N 155 SHEET 3 AH8 3 THR N 209 VAL N 215 -1 O THR N 209 N HIS N 204 SHEET 1 AH9 6 SER O 9 GLY O 12 0 SHEET 2 AH9 6 VAL O 35 ARG O 40 0 SHEET 3 AH9 6 LYS O 47 LEU O 50 -1 O LEU O 50 N TRP O 37 SHEET 4 AH9 6 ASP O 87 TYR O 93 -1 O CYS O 91 N SER O 36 SHEET 5 AH9 6 TRP O 100 PHE O 102 -1 O VAL O 101 N SER O 92 SHEET 6 AH9 6 THR O 106 VAL O 110 -1 O THR O 106 N TYR O 88 SHEET 1 AI1 3 ILE O 18 THR O 23 0 SHEET 2 AI1 3 THR O 72 ILE O 77 -1 O LEU O 75 N ILE O 20 SHEET 3 AI1 3 PHE O 64 SER O 69 -1 N SER O 65 O THR O 76 SHEET 1 AI2 5 SER O 119 PHE O 123 0 SHEET 2 AI2 5 ALA O 135 PHE O 144 -1 O VAL O 138 N PHE O 123 SHEET 3 AI2 5 VAL O 164 GLU O 165 0 SHEET 4 AI2 5 SER O 170 LYS O 171 0 SHEET 5 AI2 5 TYR O 177 LEU O 185 -1 O ALA O 178 N SER O 170 SHEET 1 AI3 4 SER O 158 PRO O 159 0 SHEET 2 AI3 4 VAL O 149 ALA O 155 -1 N ALA O 155 O SER O 158 SHEET 3 AI3 4 TYR O 196 HIS O 202 -1 O THR O 201 N THR O 150 SHEET 4 AI3 4 SER O 205 VAL O 211 -1 O VAL O 207 N VAL O 200 SHEET 1 AI4 7 ARG P 9 GLU P 13 0 SHEET 2 AI4 7 CYS P 30 MET P 34 1 O MET P 34 N ILE P 12 SHEET 3 AI4 7 LEU P 41 ILE P 50 -1 O ILE P 43 N VAL P 31 SHEET 4 AI4 7 GLN P 136 LEU P 143 -1 O GLN P 142 N ASP P 42 SHEET 5 AI4 7 LYS P 157 PHE P 161 -1 O LEU P 159 N ILE P 139 SHEET 6 AI4 7 ARG P 263 LYS P 266 0 SHEET 7 AI4 7 TYR P 274 HIS P 277 -1 O LYS P 275 N THR P 265 SHEET 1 AI5 4 TRP P 20 GLU P 26 0 SHEET 2 AI5 4 HIS P 280 LYS P 286 -1 O VAL P 285 N VAL P 21 SHEET 3 AI5 4 LYS P 177 GLN P 185 -1 N GLN P 183 O SER P 282 SHEET 4 AI5 4 GLN P 168 GLU P 171 -1 N GLN P 168 O LEU P 180 SHEET 1 AI6 7 ALA P 54 LEU P 65 0 SHEET 2 AI6 7 LYS P 69 ASP P 72 0 SHEET 3 AI6 7 ASN P 90 ARG P 99 0 SHEET 4 AI6 7 GLY P 109 GLU P 129 -1 O GLY P 109 N ARG P 99 SHEET 5 AI6 7 SER P 193 GLU P 197 -1 O ILE P 195 N PHE P 128 SHEET 6 AI6 7 SER P 202 ASP P 206 -1 O VAL P 205 N TYR P 194 SHEET 7 AI6 7 TRP P 217 GLN P 218 -1 O GLN P 218 N LYS P 58 SHEET 1 AI7 2 VAL P 232 PHE P 234 0 SHEET 2 AI7 2 VAL P 244 ALA P 246 -1 O LEU P 245 N GLU P 233 SHEET 1 AI8 4 SER P 305 ASP P 312 0 SHEET 2 AI8 4 VAL P 318 VAL P 324 -1 O LYS P 323 N SER P 305 SHEET 3 AI8 4 ASP P 361 ASN P 368 -1 O ILE P 365 N MET P 320 SHEET 4 AI8 4 ILE P 348 LEU P 349 -1 N ILE P 348 O ASN P 368 SHEET 1 AI9 2 CYS P 330 LYS P 331 0 SHEET 2 AI9 2 ILE P 355 ALA P 356 -1 O ALA P 356 N CYS P 330 SHEET 1 AJ1 3 VAL P 334 ALA P 337 0 SHEET 2 AJ1 3 GLY P 372 VAL P 378 -1 O ILE P 377 N ILE P 335 SHEET 3 AJ1 3 LEU P 385 LYS P 391 -1 O LEU P 385 N VAL P 378 SHEET 1 AJ2 4 GLN Q 3 SER Q 7 0 SHEET 2 AJ2 4 SER Q 17 SER Q 25 -1 O ALA Q 23 N VAL Q 5 SHEET 3 AJ2 4 LEU Q 78 ASN Q 84 -1 O MET Q 83 N LEU Q 18 SHEET 4 AJ2 4 PHE Q 68 ASP Q 73 -1 N THR Q 69 O GLN Q 82 SHEET 1 AJ3 7 LEU Q 11 VAL Q 12 0 SHEET 2 AJ3 7 TYR Q 33 GLN Q 39 0 SHEET 3 AJ3 7 GLU Q 46 ILE Q 51 -1 O ILE Q 51 N MET Q 34 SHEET 4 AJ3 7 ILE Q 58 TYR Q 60 -1 O TYR Q 59 N TYR Q 50 SHEET 5 AJ3 7 ALA Q 92 THR Q 100 -1 O TYR Q 95 N ILE Q 37 SHEET 6 AJ3 7 ARG Q 103 TRP Q 107 -1 O THR Q 106 N THR Q 98 SHEET 7 AJ3 7 THR Q 111 VAL Q 115 -1 O THR Q 111 N TYR Q 94 SHEET 1 AJ4 5 SER Q 124 SER Q 132 0 SHEET 2 AJ4 5 ALA Q 140 TYR Q 149 -1 O LEU Q 145 N PHE Q 126 SHEET 3 AJ4 5 HIS Q 168 THR Q 169 0 SHEET 4 AJ4 5 VAL Q 173 LEU Q 174 0 SHEET 5 AJ4 5 TYR Q 180 VAL Q 188 -1 O SER Q 181 N VAL Q 173 SHEET 1 AJ5 3 THR Q 155 TRP Q 158 0 SHEET 2 AJ5 3 ILE Q 199 HIS Q 204 -1 O ASN Q 201 N SER Q 157 SHEET 3 AJ5 3 THR Q 209 ARG Q 214 -1 O THR Q 209 N HIS Q 204 SHEET 1 AJ6 6 SER R 9 GLY R 12 0 SHEET 2 AJ6 6 VAL R 35 ARG R 40 0 SHEET 3 AJ6 6 LYS R 47 LEU R 50 -1 O LYS R 47 N GLN R 39 SHEET 4 AJ6 6 ASP R 87 TYR R 93 -1 O PHE R 89 N TYR R 38 SHEET 5 AJ6 6 TRP R 100 PHE R 102 -1 O VAL R 101 N SER R 92 SHEET 6 AJ6 6 THR R 106 VAL R 110 -1 O THR R 106 N TYR R 88 SHEET 1 AJ7 3 SER R 17 THR R 23 0 SHEET 2 AJ7 3 THR R 72 SER R 78 -1 O LEU R 75 N ILE R 20 SHEET 3 AJ7 3 PHE R 64 SER R 69 -1 N SER R 65 O THR R 76 SHEET 1 AJ8 5 SER R 119 PHE R 123 0 SHEET 2 AJ8 5 ALA R 135 PHE R 144 -1 O LEU R 140 N THR R 121 SHEET 3 AJ8 5 VAL R 164 THR R 166 0 SHEET 4 AJ8 5 SER R 170 LYS R 171 0 SHEET 5 AJ8 5 TYR R 177 LEU R 185 -1 O ALA R 178 N SER R 170 SHEET 1 AJ9 4 SER R 158 PRO R 159 0 SHEET 2 AJ9 4 THR R 150 ALA R 155 -1 N ALA R 155 O SER R 158 SHEET 3 AJ9 4 TYR R 196 HIS R 202 -1 O THR R 201 N THR R 150 SHEET 4 AJ9 4 SER R 205 VAL R 211 -1 O VAL R 207 N VAL R 200 SSBOND 1 CYS A 3 CYS A 30 1555 1555 2.03 SSBOND 2 CYS A 60 CYS A 121 1555 1555 2.03 SSBOND 3 CYS A 74 CYS A 105 1555 1555 2.03 SSBOND 4 CYS A 92 CYS A 116 1555 1555 2.03 SSBOND 5 CYS A 182 CYS A 283 1555 1555 2.03 SSBOND 6 CYS A 300 CYS A 330 1555 1555 2.03 SSBOND 7 CYS H 22 CYS H 96 1555 1555 2.03 SSBOND 8 CYS H 144 CYS H 200 1555 1555 2.03 SSBOND 9 CYS L 22 CYS L 90 1555 1555 2.03 SSBOND 10 CYS L 139 CYS L 198 1555 1555 2.03 SSBOND 11 CYS E 3 CYS E 30 1555 1555 2.03 SSBOND 12 CYS E 60 CYS E 121 1555 1555 2.03 SSBOND 13 CYS E 74 CYS E 105 1555 1555 2.03 SSBOND 14 CYS E 92 CYS E 116 1555 1555 2.03 SSBOND 15 CYS E 182 CYS E 283 1555 1555 2.03 SSBOND 16 CYS E 300 CYS E 330 1555 1555 2.03 SSBOND 17 CYS F 22 CYS F 96 1555 1555 2.03 SSBOND 18 CYS F 144 CYS F 200 1555 1555 2.03 SSBOND 19 CYS G 22 CYS G 90 1555 1555 2.04 SSBOND 20 CYS G 139 CYS G 198 1555 1555 2.03 SSBOND 21 CYS B 3 CYS B 30 1555 1555 2.03 SSBOND 22 CYS B 60 CYS B 121 1555 1555 2.03 SSBOND 23 CYS B 74 CYS B 105 1555 1555 2.03 SSBOND 24 CYS B 92 CYS B 116 1555 1555 2.03 SSBOND 25 CYS B 182 CYS B 283 1555 1555 2.03 SSBOND 26 CYS B 300 CYS B 330 1555 1555 2.02 SSBOND 27 CYS C 22 CYS C 96 1555 1555 2.04 SSBOND 28 CYS C 144 CYS C 200 1555 1555 2.03 SSBOND 29 CYS D 22 CYS D 90 1555 1555 2.04 SSBOND 30 CYS D 139 CYS D 198 1555 1555 2.03 SSBOND 31 CYS I 3 CYS I 30 1555 1555 2.03 SSBOND 32 CYS I 60 CYS I 121 1555 1555 2.03 SSBOND 33 CYS I 74 CYS I 105 1555 1555 2.03 SSBOND 34 CYS I 92 CYS I 116 1555 1555 2.03 SSBOND 35 CYS I 182 CYS I 283 1555 1555 2.03 SSBOND 36 CYS I 300 CYS I 330 1555 1555 2.03 SSBOND 37 CYS J 22 CYS J 96 1555 1555 2.03 SSBOND 38 CYS J 144 CYS J 200 1555 1555 2.03 SSBOND 39 CYS K 22 CYS K 90 1555 1555 2.03 SSBOND 40 CYS K 139 CYS K 198 1555 1555 2.03 SSBOND 41 CYS M 3 CYS M 30 1555 1555 2.03 SSBOND 42 CYS M 60 CYS M 121 1555 1555 2.03 SSBOND 43 CYS M 74 CYS M 105 1555 1555 2.03 SSBOND 44 CYS M 92 CYS M 116 1555 1555 2.03 SSBOND 45 CYS M 182 CYS M 283 1555 1555 2.03 SSBOND 46 CYS M 300 CYS M 330 1555 1555 2.03 SSBOND 47 CYS N 22 CYS N 96 1555 1555 2.03 SSBOND 48 CYS N 144 CYS N 200 1555 1555 2.03 SSBOND 49 CYS O 22 CYS O 90 1555 1555 2.04 SSBOND 50 CYS O 139 CYS O 198 1555 1555 2.03 SSBOND 51 CYS P 3 CYS P 30 1555 1555 2.03 SSBOND 52 CYS P 60 CYS P 121 1555 1555 2.03 SSBOND 53 CYS P 74 CYS P 105 1555 1555 2.04 SSBOND 54 CYS P 92 CYS P 116 1555 1555 2.03 SSBOND 55 CYS P 182 CYS P 283 1555 1555 2.03 SSBOND 56 CYS P 300 CYS P 330 1555 1555 2.03 SSBOND 57 CYS Q 22 CYS Q 96 1555 1555 2.03 SSBOND 58 CYS Q 144 CYS Q 200 1555 1555 2.03 SSBOND 59 CYS R 22 CYS R 90 1555 1555 2.04 SSBOND 60 CYS R 139 CYS R 198 1555 1555 2.03 CISPEP 1 ALA A 1 HIS A 2 0 -6.37 CISPEP 2 SER H 136 GLY H 137 0 5.64 CISPEP 3 PHE H 150 PRO H 151 0 -0.45 CISPEP 4 GLU H 152 PRO H 153 0 -4.30 CISPEP 5 TYR L 145 PRO L 146 0 -3.81 CISPEP 6 ALA E 1 HIS E 2 0 2.16 CISPEP 7 SER F 136 GLY F 137 0 9.34 CISPEP 8 PHE F 150 PRO F 151 0 0.57 CISPEP 9 GLU F 152 PRO F 153 0 -2.21 CISPEP 10 TYR G 145 PRO G 146 0 0.16 CISPEP 11 ALA B 1 HIS B 2 0 -0.58 CISPEP 12 SER C 136 GLY C 137 0 6.15 CISPEP 13 PHE C 150 PRO C 151 0 -2.59 CISPEP 14 GLU C 152 PRO C 153 0 -2.95 CISPEP 15 TYR D 145 PRO D 146 0 1.41 CISPEP 16 ALA I 1 HIS I 2 0 -1.69 CISPEP 17 PHE J 150 PRO J 151 0 -3.39 CISPEP 18 GLU J 152 PRO J 153 0 -1.41 CISPEP 19 TYR K 145 PRO K 146 0 -0.56 CISPEP 20 ALA M 1 HIS M 2 0 -1.90 CISPEP 21 SER N 136 GLY N 137 0 6.56 CISPEP 22 PHE N 150 PRO N 151 0 0.09 CISPEP 23 GLU N 152 PRO N 153 0 -4.44 CISPEP 24 TYR O 145 PRO O 146 0 -1.66 CISPEP 25 ALA P 1 HIS P 2 0 -0.26 CISPEP 26 SER Q 136 GLY Q 137 0 7.27 CISPEP 27 PHE Q 150 PRO Q 151 0 -1.76 CISPEP 28 GLU Q 152 PRO Q 153 0 -5.33 CISPEP 29 TYR R 145 PRO R 146 0 2.57 CRYST1 157.259 278.003 354.657 90.00 90.00 90.00 C 2 2 21 48 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 0.006359 0.000000 0.000000 0.00000 SCALE2 0.000000 0.003597 0.000000 0.00000 SCALE3 0.000000 0.000000 0.002820 0.00000