HEADER SPLICING 16-MAY-12 4F7U
TITLE THE 6S SNRNP ASSEMBLY INTERMEDIATE
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: SMALL NUCLEAR RIBONUCLEOPROTEIN SM D1;
COMPND 3 CHAIN: A, C;
COMPND 4 SYNONYM: SM-D1, SM-D AUTOANTIGEN, SNRNP CORE PROTEIN D1;
COMPND 5 ENGINEERED: YES;
COMPND 6 MOL_ID: 2;
COMPND 7 MOLECULE: SMALL NUCLEAR RIBONUCLEOPROTEIN SM D2;
COMPND 8 CHAIN: B, D;
COMPND 9 SYNONYM: SM-D2, SNRNP CORE PROTEIN D2;
COMPND 10 ENGINEERED: YES;
COMPND 11 MOL_ID: 3;
COMPND 12 MOLECULE: SMALL NUCLEAR RIBONUCLEOPROTEIN E;
COMPND 13 CHAIN: E, H;
COMPND 14 SYNONYM: SNRNP-E, SM PROTEIN E, SM-E, SME;
COMPND 15 ENGINEERED: YES;
COMPND 16 MOL_ID: 4;
COMPND 17 MOLECULE: SMALL NUCLEAR RIBONUCLEOPROTEIN F;
COMPND 18 CHAIN: F, I;
COMPND 19 SYNONYM: SNRNP-F, SM PROTEIN F, SM-F, SMF;
COMPND 20 ENGINEERED: YES;
COMPND 21 MOL_ID: 5;
COMPND 22 MOLECULE: SMALL NUCLEAR RIBONUCLEOPROTEIN G;
COMPND 23 CHAIN: G, J;
COMPND 24 SYNONYM: SNRNP-G, SM PROTEIN G, SM-G, SMG;
COMPND 25 ENGINEERED: YES;
COMPND 26 MOL_ID: 6;
COMPND 27 MOLECULE: METHYLOSOME SUBUNIT PICLN;
COMPND 28 CHAIN: Q, P;
COMPND 29 SYNONYM: SD10511P;
COMPND 30 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS;
SOURCE 3 ORGANISM_COMMON: MOUSE;
SOURCE 4 ORGANISM_TAXID: 10090;
SOURCE 5 GENE: SNRPD1;
SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008;
SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);
SOURCE 9 MOL_ID: 2;
SOURCE 10 ORGANISM_SCIENTIFIC: MUS MUSCULUS;
SOURCE 11 ORGANISM_COMMON: MOUSE;
SOURCE 12 ORGANISM_TAXID: 10090;
SOURCE 13 GENE: SNRPD2;
SOURCE 14 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 15 EXPRESSION_SYSTEM_TAXID: 469008;
SOURCE 16 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);
SOURCE 17 MOL_ID: 3;
SOURCE 18 ORGANISM_SCIENTIFIC: MUS MUSCULUS;
SOURCE 19 ORGANISM_COMMON: MOUSE;
SOURCE 20 ORGANISM_TAXID: 10090;
SOURCE 21 GENE: SNRPE;
SOURCE 22 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 23 EXPRESSION_SYSTEM_TAXID: 469008;
SOURCE 24 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);
SOURCE 25 MOL_ID: 4;
SOURCE 26 ORGANISM_SCIENTIFIC: XENOPUS LAEVIS;
SOURCE 27 ORGANISM_COMMON: CLAWED FROG,COMMON PLATANNA,PLATANNA;
SOURCE 28 ORGANISM_TAXID: 8355;
SOURCE 29 GENE: SNRPF;
SOURCE 30 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 31 EXPRESSION_SYSTEM_TAXID: 469008;
SOURCE 32 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);
SOURCE 33 MOL_ID: 5;
SOURCE 34 ORGANISM_SCIENTIFIC: MUS MUSCULUS;
SOURCE 35 ORGANISM_COMMON: MOUSE;
SOURCE 36 ORGANISM_TAXID: 10090;
SOURCE 37 GENE: SNRPG;
SOURCE 38 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 39 EXPRESSION_SYSTEM_TAXID: 469008;
SOURCE 40 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);
SOURCE 41 MOL_ID: 6;
SOURCE 42 ORGANISM_SCIENTIFIC: DROSOPHILA MELANOGASTER;
SOURCE 43 ORGANISM_COMMON: FRUIT FLY;
SOURCE 44 ORGANISM_TAXID: 7227;
SOURCE 45 GENE: CG4924, ICLN;
SOURCE 46 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 47 EXPRESSION_SYSTEM_TAXID: 469008;
SOURCE 48 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)
KEYWDS ASSEMBLY MACHINE, SPLICING
EXPDTA X-RAY DIFFRACTION
AUTHOR C.GRIMM,J.P.PELZ
REVDAT 5 13-SEP-23 4F7U 1 REMARK SEQADV
REVDAT 4 09-AUG-17 4F7U 1 SOURCE REMARK
REVDAT 3 28-JAN-15 4F7U 1 TITLE
REVDAT 2 13-MAR-13 4F7U 1 JRNL
REVDAT 1 30-JAN-13 4F7U 0
JRNL AUTH C.GRIMM,A.CHARI,J.P.PELZ,J.KUPER,C.KISKER,K.DIEDERICHS,
JRNL AUTH 2 H.STARK,H.SCHINDELIN,U.FISCHER
JRNL TITL STRUCTURAL BASIS OF ASSEMBLY CHAPERONE- MEDIATED SNRNP
JRNL TITL 2 FORMATION.
JRNL REF MOL.CELL V. 49 692 2013
JRNL REFN ISSN 1097-2765
JRNL PMID 23333303
JRNL DOI 10.1016/J.MOLCEL.2012.12.009
REMARK 2
REMARK 2 RESOLUTION. 1.90 ANGSTROMS.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : PHENIX PHENIX.REFINE: 1.7.1_743
REMARK 3 AUTHORS : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN
REMARK 3 : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE,
REMARK 3 : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER,
REMARK 3 : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY,
REMARK 3 : REETAL PAI,RANDY READ,JANE RICHARDSON,
REMARK 3 : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI,
REMARK 3 : NICHOLAS SAUTER,JACOB SMITH,LAURENT
REMARK 3 : STORONI,TOM TERWILLIGER,PETER ZWART
REMARK 3
REMARK 3 REFINEMENT TARGET : ML
REMARK 3
REMARK 3 DATA USED IN REFINEMENT.
REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.90
REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 49.63
REMARK 3 MIN(FOBS/SIGMA_FOBS) : 1.990
REMARK 3 COMPLETENESS FOR RANGE (%) : 96.1
REMARK 3 NUMBER OF REFLECTIONS : 88054
REMARK 3
REMARK 3 FIT TO DATA USED IN REFINEMENT.
REMARK 3 R VALUE (WORKING + TEST SET) : 0.183
REMARK 3 R VALUE (WORKING SET) : 0.181
REMARK 3 FREE R VALUE : 0.221
REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.030
REMARK 3 FREE R VALUE TEST SET COUNT : 4426
REMARK 3
REMARK 3 FIT TO DATA USED IN REFINEMENT (IN BINS).
REMARK 3 BIN RESOLUTION RANGE COMPL. NWORK NFREE RWORK RFREE
REMARK 3 1 49.6438 - 5.8951 0.92 2795 145 0.2014 0.2321
REMARK 3 2 5.8951 - 4.6802 0.97 2889 138 0.1478 0.1796
REMARK 3 3 4.6802 - 4.0889 0.96 2811 153 0.1235 0.1504
REMARK 3 4 4.0889 - 3.7152 0.96 2801 149 0.1531 0.1859
REMARK 3 5 3.7152 - 3.4490 0.96 2819 143 0.1651 0.1818
REMARK 3 6 3.4490 - 3.2457 0.96 2798 171 0.1796 0.2089
REMARK 3 7 3.2457 - 3.0832 0.97 2815 130 0.1873 0.2380
REMARK 3 8 3.0832 - 2.9490 0.97 2853 137 0.1947 0.2186
REMARK 3 9 2.9490 - 2.8355 0.97 2767 166 0.1905 0.2586
REMARK 3 10 2.8355 - 2.7376 0.98 2841 163 0.1848 0.2321
REMARK 3 11 2.7376 - 2.6520 0.97 2801 165 0.1879 0.2564
REMARK 3 12 2.6520 - 2.5762 0.97 2831 141 0.1909 0.2685
REMARK 3 13 2.5762 - 2.5084 0.97 2775 159 0.1942 0.2391
REMARK 3 14 2.5084 - 2.4472 0.97 2813 150 0.1905 0.2681
REMARK 3 15 2.4472 - 2.3916 0.97 2823 136 0.1849 0.2236
REMARK 3 16 2.3916 - 2.3407 0.97 2763 146 0.1940 0.2761
REMARK 3 17 2.3407 - 2.2939 0.97 2837 142 0.1947 0.2757
REMARK 3 18 2.2939 - 2.2506 0.97 2754 166 0.1910 0.2274
REMARK 3 19 2.2506 - 2.2104 0.97 2823 149 0.1949 0.2771
REMARK 3 20 2.2104 - 2.1729 0.97 2768 158 0.1913 0.2247
REMARK 3 21 2.1729 - 2.1379 0.96 2786 141 0.2000 0.2338
REMARK 3 22 2.1379 - 2.1050 0.97 2762 151 0.2018 0.2656
REMARK 3 23 2.1050 - 2.0740 0.96 2795 137 0.2155 0.2682
REMARK 3 24 2.0740 - 2.0448 0.96 2780 127 0.2199 0.2429
REMARK 3 25 2.0448 - 2.0172 0.96 2830 132 0.2239 0.2684
REMARK 3 26 2.0172 - 1.9910 0.96 2724 155 0.2281 0.2544
REMARK 3 27 1.9910 - 1.9661 0.96 2782 151 0.2431 0.2719
REMARK 3 28 1.9661 - 1.9424 0.96 2777 147 0.2638 0.3200
REMARK 3 29 1.9424 - 1.9198 0.96 2697 161 0.2978 0.3669
REMARK 3 30 1.9198 - 1.8982 0.85 2518 117 0.3128 0.3502
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 : 0.35
REMARK 3 B_SOL : 47.44
REMARK 3
REMARK 3 ERROR ESTIMATES.
REMARK 3 COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED) : 0.500
REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 23.500
REMARK 3
REMARK 3 B VALUES.
REMARK 3 FROM WILSON PLOT (A**2) : NULL
REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL
REMARK 3 OVERALL ANISOTROPIC B VALUE.
REMARK 3 B11 (A**2) : -6.44780
REMARK 3 B22 (A**2) : 8.73450
REMARK 3 B33 (A**2) : -2.28670
REMARK 3 B12 (A**2) : 0.00000
REMARK 3 B13 (A**2) : -3.03520
REMARK 3 B23 (A**2) : 0.00000
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 : 0.015 8301
REMARK 3 ANGLE : 1.583 11217
REMARK 3 CHIRALITY : 0.114 1296
REMARK 3 PLANARITY : 0.008 1414
REMARK 3 DIHEDRAL : 14.620 3195
REMARK 3
REMARK 3 TLS DETAILS
REMARK 3 NUMBER OF TLS GROUPS : 73
REMARK 3 TLS GROUP : 1
REMARK 3 SELECTION: CHAIN 'A' AND (RESSEQ 1001:1019)
REMARK 3 ORIGIN FOR THE GROUP (A): -6.3459 6.4759 25.6601
REMARK 3 T TENSOR
REMARK 3 T11: 0.3289 T22: 0.1968
REMARK 3 T33: 0.3793 T12: 0.0283
REMARK 3 T13: -0.0220 T23: 0.0376
REMARK 3 L TENSOR
REMARK 3 L11: 0.1266 L22: 0.0639
REMARK 3 L33: 0.0593 L12: -0.0280
REMARK 3 L13: -0.0118 L23: -0.0584
REMARK 3 S TENSOR
REMARK 3 S11: -0.1072 S12: 0.0566 S13: 0.4084
REMARK 3 S21: -0.0858 S22: 0.0827 S23: 0.0683
REMARK 3 S31: -0.0260 S32: -0.1756 S33: -0.0387
REMARK 3 TLS GROUP : 2
REMARK 3 SELECTION: CHAIN 'A' AND (RESSEQ 1020:1061)
REMARK 3 ORIGIN FOR THE GROUP (A): -6.7184 -2.3947 34.7237
REMARK 3 T TENSOR
REMARK 3 T11: 0.2303 T22: 0.3564
REMARK 3 T33: 0.1463 T12: -0.0338
REMARK 3 T13: -0.0074 T23: -0.0223
REMARK 3 L TENSOR
REMARK 3 L11: 0.5969 L22: 0.7202
REMARK 3 L33: 0.0537 L12: -0.5231
REMARK 3 L13: 0.0135 L23: 0.0003
REMARK 3 S TENSOR
REMARK 3 S11: 0.0751 S12: -0.5139 S13: 0.2951
REMARK 3 S21: -0.0789 S22: -0.0961 S23: -0.1539
REMARK 3 S31: 0.1353 S32: -0.2414 S33: -0.0259
REMARK 3 TLS GROUP : 3
REMARK 3 SELECTION: CHAIN 'A' AND (RESSEQ 1062:1082)
REMARK 3 ORIGIN FOR THE GROUP (A): -11.3023 8.3989 25.1067
REMARK 3 T TENSOR
REMARK 3 T11: 0.2762 T22: 0.0486
REMARK 3 T33: 0.4979 T12: 0.0875
REMARK 3 T13: 0.0271 T23: 0.0277
REMARK 3 L TENSOR
REMARK 3 L11: 0.3503 L22: 0.0502
REMARK 3 L33: 0.0312 L12: -0.0748
REMARK 3 L13: -0.0331 L23: 0.0152
REMARK 3 S TENSOR
REMARK 3 S11: 0.1282 S12: -0.0663 S13: 0.5582
REMARK 3 S21: 0.1370 S22: 0.0367 S23: 0.0037
REMARK 3 S31: 0.1267 S32: -0.1539 S33: 0.0559
REMARK 3 TLS GROUP : 4
REMARK 3 SELECTION: CHAIN 'B' AND (RESSEQ 2022:2037)
REMARK 3 ORIGIN FOR THE GROUP (A): -18.1650 5.9884 5.5321
REMARK 3 T TENSOR
REMARK 3 T11: 0.3922 T22: 0.4818
REMARK 3 T33: 0.4828 T12: 0.1634
REMARK 3 T13: 0.0204 T23: 0.3923
REMARK 3 L TENSOR
REMARK 3 L11: 0.0206 L22: 0.0080
REMARK 3 L33: 0.0244 L12: 0.0105
REMARK 3 L13: -0.0084 L23: -0.0104
REMARK 3 S TENSOR
REMARK 3 S11: 0.0094 S12: 0.1208 S13: 0.1342
REMARK 3 S21: -0.0735 S22: 0.0971 S23: 0.0862
REMARK 3 S31: -0.1228 S32: -0.0869 S33: 0.1019
REMARK 3 TLS GROUP : 5
REMARK 3 SELECTION: CHAIN 'B' AND (RESSEQ 2038:2049)
REMARK 3 ORIGIN FOR THE GROUP (A): -24.1481 1.0116 19.1082
REMARK 3 T TENSOR
REMARK 3 T11: 0.3994 T22: 0.3090
REMARK 3 T33: 0.2868 T12: 0.1292
REMARK 3 T13: 0.0074 T23: 0.0843
REMARK 3 L TENSOR
REMARK 3 L11: 0.0558 L22: 0.0878
REMARK 3 L33: 0.0263 L12: 0.0133
REMARK 3 L13: -0.0182 L23: 0.0334
REMARK 3 S TENSOR
REMARK 3 S11: -0.0189 S12: 0.0744 S13: 0.4306
REMARK 3 S21: 0.1603 S22: 0.0069 S23: 0.0798
REMARK 3 S31: 0.0758 S32: -0.0360 S33: -0.0133
REMARK 3 TLS GROUP : 6
REMARK 3 SELECTION: CHAIN 'B' AND (RESSEQ 2050:2059)
REMARK 3 ORIGIN FOR THE GROUP (A): -21.7024 5.6371 19.5733
REMARK 3 T TENSOR
REMARK 3 T11: 0.1814 T22: 0.0794
REMARK 3 T33: 0.3444 T12: 0.3074
REMARK 3 T13: 0.0195 T23: 0.2464
REMARK 3 L TENSOR
REMARK 3 L11: 0.0611 L22: 0.0189
REMARK 3 L33: 0.1305 L12: 0.0312
REMARK 3 L13: 0.0766 L23: 0.0173
REMARK 3 S TENSOR
REMARK 3 S11: -0.0606 S12: 0.0462 S13: 0.2538
REMARK 3 S21: -0.0271 S22: -0.0337 S23: 0.0051
REMARK 3 S31: -0.1409 S32: -0.0482 S33: -0.0720
REMARK 3 TLS GROUP : 7
REMARK 3 SELECTION: CHAIN 'B' AND (RESSEQ 2060:2064)
REMARK 3 ORIGIN FOR THE GROUP (A): -10.4008 1.2891 12.7108
REMARK 3 T TENSOR
REMARK 3 T11: 0.2967 T22: 0.2930
REMARK 3 T33: 0.2855 T12: 0.0571
REMARK 3 T13: 0.0002 T23: 0.0776
REMARK 3 L TENSOR
REMARK 3 L11: 0.0033 L22: 0.0106
REMARK 3 L33: 0.0018 L12: 0.0001
REMARK 3 L13: 0.0041 L23: -0.0002
REMARK 3 S TENSOR
REMARK 3 S11: 0.0820 S12: 0.0462 S13: 0.0644
REMARK 3 S21: -0.0740 S22: 0.0770 S23: -0.1122
REMARK 3 S31: -0.0214 S32: 0.0542 S33: -0.0000
REMARK 3 TLS GROUP : 8
REMARK 3 SELECTION: CHAIN 'B' AND (RESSEQ 2065:2074)
REMARK 3 ORIGIN FOR THE GROUP (A): -23.1231 4.9106 24.9354
REMARK 3 T TENSOR
REMARK 3 T11: 0.3416 T22: 0.2711
REMARK 3 T33: 0.3887 T12: 0.1417
REMARK 3 T13: 0.0445 T23: 0.0307
REMARK 3 L TENSOR
REMARK 3 L11: 0.0828 L22: 0.1998
REMARK 3 L33: 0.3783 L12: 0.1150
REMARK 3 L13: 0.1225 L23: 0.2756
REMARK 3 S TENSOR
REMARK 3 S11: -0.0278 S12: -0.0630 S13: 0.3552
REMARK 3 S21: 0.1137 S22: -0.0840 S23: 0.0873
REMARK 3 S31: 0.0854 S32: -0.2398 S33: -0.0588
REMARK 3 TLS GROUP : 9
REMARK 3 SELECTION: CHAIN 'B' AND (RESSEQ 2075:2096)
REMARK 3 ORIGIN FOR THE GROUP (A): -28.8565 0.1741 31.7363
REMARK 3 T TENSOR
REMARK 3 T11: 0.4906 T22: 0.5030
REMARK 3 T33: 0.4093 T12: -0.0226
REMARK 3 T13: 0.1169 T23: -0.0710
REMARK 3 L TENSOR
REMARK 3 L11: 0.0058 L22: -0.0030
REMARK 3 L33: 0.0013 L12: 0.0039
REMARK 3 L13: -0.0042 L23: -0.0017
REMARK 3 S TENSOR
REMARK 3 S11: 0.1045 S12: -0.1132 S13: 0.1793
REMARK 3 S21: 0.1664 S22: 0.0019 S23: 0.1328
REMARK 3 S31: 0.1022 S32: -0.3367 S33: 0.0000
REMARK 3 TLS GROUP : 10
REMARK 3 SELECTION: CHAIN 'B' AND (RESSEQ 2097:2114)
REMARK 3 ORIGIN FOR THE GROUP (A): -20.6186 1.4814 18.5446
REMARK 3 T TENSOR
REMARK 3 T11: 0.2442 T22: 0.2809
REMARK 3 T33: 0.3013 T12: 0.0754
REMARK 3 T13: -0.0151 T23: 0.0670
REMARK 3 L TENSOR
REMARK 3 L11: 0.1297 L22: 0.0438
REMARK 3 L33: 0.1611 L12: -0.0303
REMARK 3 L13: -0.0098 L23: -0.0745
REMARK 3 S TENSOR
REMARK 3 S11: -0.0266 S12: 0.1749 S13: 0.2975
REMARK 3 S21: 0.1030 S22: 0.0744 S23: 0.2086
REMARK 3 S31: 0.1709 S32: -0.1863 S33: 0.0770
REMARK 3 TLS GROUP : 11
REMARK 3 SELECTION: CHAIN 'C' AND (RESSEQ 1002:1010)
REMARK 3 ORIGIN FOR THE GROUP (A): 25.0828 -19.2602 39.3988
REMARK 3 T TENSOR
REMARK 3 T11: 0.2842 T22: 0.3317
REMARK 3 T33: 0.3402 T12: -0.0038
REMARK 3 T13: -0.0120 T23: 0.0110
REMARK 3 L TENSOR
REMARK 3 L11: 0.0020 L22: 0.0057
REMARK 3 L33: 0.0005 L12: -0.0047
REMARK 3 L13: 0.0000 L23: -0.0005
REMARK 3 S TENSOR
REMARK 3 S11: -0.1388 S12: -0.0233 S13: -0.1202
REMARK 3 S21: -0.1426 S22: -0.0598 S23: 0.2043
REMARK 3 S31: -0.0282 S32: -0.1330 S33: -0.0000
REMARK 3 TLS GROUP : 12
REMARK 3 SELECTION: CHAIN 'C' AND (RESSEQ 1011:1019)
REMARK 3 ORIGIN FOR THE GROUP (A): 30.8632 -10.6019 47.6836
REMARK 3 T TENSOR
REMARK 3 T11: 0.2614 T22: 0.4767
REMARK 3 T33: 0.2690 T12: -0.0156
REMARK 3 T13: 0.0091 T23: 0.0107
REMARK 3 L TENSOR
REMARK 3 L11: 0.0033 L22: 0.0112
REMARK 3 L33: 0.0146 L12: 0.0041
REMARK 3 L13: 0.0028 L23: 0.0160
REMARK 3 S TENSOR
REMARK 3 S11: -0.1482 S12: -0.3063 S13: -0.2176
REMARK 3 S21: 0.1413 S22: 0.0701 S23: 0.0795
REMARK 3 S31: -0.0101 S32: -0.0649 S33: 0.0000
REMARK 3 TLS GROUP : 13
REMARK 3 SELECTION: CHAIN 'C' AND (RESSEQ 1020:1032)
REMARK 3 ORIGIN FOR THE GROUP (A): 31.1873 -6.2256 45.5572
REMARK 3 T TENSOR
REMARK 3 T11: 0.3400 T22: 0.4799
REMARK 3 T33: 0.2831 T12: -0.0541
REMARK 3 T13: 0.0250 T23: -0.0888
REMARK 3 L TENSOR
REMARK 3 L11: 0.0029 L22: 0.0448
REMARK 3 L33: 0.0003 L12: 0.0215
REMARK 3 L13: 0.0062 L23: 0.0063
REMARK 3 S TENSOR
REMARK 3 S11: -0.0490 S12: -0.3132 S13: -0.1664
REMARK 3 S21: 0.0779 S22: 0.0468 S23: 0.0887
REMARK 3 S31: -0.1364 S32: 0.1491 S33: 0.0000
REMARK 3 TLS GROUP : 14
REMARK 3 SELECTION: CHAIN 'C' AND (RESSEQ 1033:1052)
REMARK 3 ORIGIN FOR THE GROUP (A): 31.0705 -2.7078 45.6165
REMARK 3 T TENSOR
REMARK 3 T11: 0.2553 T22: 0.4507
REMARK 3 T33: 0.3076 T12: -0.0374
REMARK 3 T13: -0.0286 T23: -0.1460
REMARK 3 L TENSOR
REMARK 3 L11: 0.0574 L22: 0.2421
REMARK 3 L33: 0.0417 L12: -0.0211
REMARK 3 L13: -0.0154 L23: 0.0432
REMARK 3 S TENSOR
REMARK 3 S11: 0.0765 S12: -0.3947 S13: 0.1628
REMARK 3 S21: 0.0317 S22: -0.0121 S23: -0.0076
REMARK 3 S31: -0.0442 S32: 0.2351 S33: 0.0702
REMARK 3 TLS GROUP : 15
REMARK 3 SELECTION: CHAIN 'C' AND (RESSEQ 1053:1061)
REMARK 3 ORIGIN FOR THE GROUP (A): 26.4761 -0.3085 46.8151
REMARK 3 T TENSOR
REMARK 3 T11: 0.2491 T22: 0.3680
REMARK 3 T33: 0.2928 T12: -0.0150
REMARK 3 T13: 0.0061 T23: -0.1397
REMARK 3 L TENSOR
REMARK 3 L11: 0.0088 L22: 0.1084
REMARK 3 L33: 0.2100 L12: 0.0311
REMARK 3 L13: 0.0208 L23: 0.0195
REMARK 3 S TENSOR
REMARK 3 S11: 0.0608 S12: -0.2636 S13: 0.2814
REMARK 3 S21: -0.0151 S22: 0.0156 S23: 0.1832
REMARK 3 S31: -0.0927 S32: -0.1232 S33: 0.0390
REMARK 3 TLS GROUP : 16
REMARK 3 SELECTION: CHAIN 'C' AND (RESSEQ 1062:1069)
REMARK 3 ORIGIN FOR THE GROUP (A): 34.9139 -9.1424 39.8646
REMARK 3 T TENSOR
REMARK 3 T11: 0.2546 T22: 0.3274
REMARK 3 T33: 0.2216 T12: -0.0048
REMARK 3 T13: -0.0068 T23: 0.0223
REMARK 3 L TENSOR
REMARK 3 L11: 0.0055 L22: 0.0053
REMARK 3 L33: 0.0022 L12: -0.0038
REMARK 3 L13: 0.0037 L23: 0.0025
REMARK 3 S TENSOR
REMARK 3 S11: 0.0723 S12: -0.3146 S13: -0.1125
REMARK 3 S21: -0.0747 S22: -0.1099 S23: -0.1536
REMARK 3 S31: -0.0807 S32: 0.1839 S33: -0.0000
REMARK 3 TLS GROUP : 17
REMARK 3 SELECTION: CHAIN 'C' AND (RESSEQ 1070:1082)
REMARK 3 ORIGIN FOR THE GROUP (A): 29.2617 -24.4156 46.5078
REMARK 3 T TENSOR
REMARK 3 T11: 0.3871 T22: 0.4328
REMARK 3 T33: 0.3532 T12: -0.0660
REMARK 3 T13: 0.0835 T23: 0.1504
REMARK 3 L TENSOR
REMARK 3 L11: 0.0420 L22: 0.0542
REMARK 3 L33: 0.0438 L12: 0.0175
REMARK 3 L13: 0.0292 L23: 0.0068
REMARK 3 S TENSOR
REMARK 3 S11: -0.0928 S12: -0.1141 S13: -0.1259
REMARK 3 S21: 0.2218 S22: -0.1266 S23: -0.0411
REMARK 3 S31: 0.0655 S32: -0.0091 S33: -0.0678
REMARK 3 TLS GROUP : 18
REMARK 3 SELECTION: CHAIN 'D' AND (RESSEQ 2016:2026)
REMARK 3 ORIGIN FOR THE GROUP (A): 31.3976 -29.8176 23.6912
REMARK 3 T TENSOR
REMARK 3 T11: 0.5194 T22: 0.6281
REMARK 3 T33: 0.6870 T12: -0.0257
REMARK 3 T13: -0.0529 T23: -0.3276
REMARK 3 L TENSOR
REMARK 3 L11: 0.0067 L22: -0.0002
REMARK 3 L33: -0.0006 L12: 0.0021
REMARK 3 L13: 0.0058 L23: 0.0033
REMARK 3 S TENSOR
REMARK 3 S11: -0.1432 S12: 0.0106 S13: -0.0393
REMARK 3 S21: -0.0059 S22: -0.1491 S23: 0.0383
REMARK 3 S31: -0.0149 S32: -0.0894 S33: 0.0000
REMARK 3 TLS GROUP : 19
REMARK 3 SELECTION: CHAIN 'D' AND (RESSEQ 2027:2038)
REMARK 3 ORIGIN FOR THE GROUP (A): 41.1494 -28.5877 30.6825
REMARK 3 T TENSOR
REMARK 3 T11: 0.4470 T22: 0.2409
REMARK 3 T33: 0.4896 T12: 0.1009
REMARK 3 T13: 0.0520 T23: 0.0496
REMARK 3 L TENSOR
REMARK 3 L11: 0.0154 L22: 0.0225
REMARK 3 L33: 0.0103 L12: -0.0212
REMARK 3 L13: -0.0137 L23: 0.0170
REMARK 3 S TENSOR
REMARK 3 S11: -0.0573 S12: 0.0264 S13: -0.3662
REMARK 3 S21: -0.0187 S22: 0.0289 S23: -0.1214
REMARK 3 S31: 0.0960 S32: -0.0170 S33: -0.0082
REMARK 3 TLS GROUP : 20
REMARK 3 SELECTION: CHAIN 'D' AND (RESSEQ 2039:2049)
REMARK 3 ORIGIN FOR THE GROUP (A): 46.2236 -16.6754 36.4114
REMARK 3 T TENSOR
REMARK 3 T11: 0.3707 T22: 0.3470
REMARK 3 T33: 0.3413 T12: 0.1140
REMARK 3 T13: -0.0339 T23: 0.0676
REMARK 3 L TENSOR
REMARK 3 L11: 0.0281 L22: 0.0049
REMARK 3 L33: 0.0931 L12: 0.0130
REMARK 3 L13: 0.0543 L23: 0.0233
REMARK 3 S TENSOR
REMARK 3 S11: -0.2012 S12: -0.1920 S13: -0.0469
REMARK 3 S21: 0.0190 S22: -0.0127 S23: 0.0002
REMARK 3 S31: -0.1420 S32: 0.3282 S33: 0.0054
REMARK 3 TLS GROUP : 21
REMARK 3 SELECTION: CHAIN 'D' AND (RESSEQ 2050:2059)
REMARK 3 ORIGIN FOR THE GROUP (A): 42.1628 -20.9953 38.8603
REMARK 3 T TENSOR
REMARK 3 T11: 0.2677 T22: 0.3863
REMARK 3 T33: 0.3483 T12: 0.0885
REMARK 3 T13: 0.0139 T23: 0.1519
REMARK 3 L TENSOR
REMARK 3 L11: 0.2941 L22: 0.3197
REMARK 3 L33: 0.2706 L12: -0.2373
REMARK 3 L13: -0.2380 L23: 0.3026
REMARK 3 S TENSOR
REMARK 3 S11: -0.1622 S12: -0.1459 S13: -0.2226
REMARK 3 S21: 0.1163 S22: -0.0389 S23: 0.1570
REMARK 3 S31: 0.1856 S32: 0.1914 S33: -0.1393
REMARK 3 TLS GROUP : 22
REMARK 3 SELECTION: CHAIN 'D' AND (RESSEQ 2060:2064)
REMARK 3 ORIGIN FOR THE GROUP (A): 32.2446 -18.7343 29.7444
REMARK 3 T TENSOR
REMARK 3 T11: 0.3306 T22: 0.2536
REMARK 3 T33: 0.3274 T12: 0.0594
REMARK 3 T13: -0.0179 T23: -0.0064
REMARK 3 L TENSOR
REMARK 3 L11: 0.0157 L22: 0.0103
REMARK 3 L33: 0.0084 L12: -0.0004
REMARK 3 L13: 0.0089 L23: 0.0065
REMARK 3 S TENSOR
REMARK 3 S11: -0.0267 S12: -0.0123 S13: -0.0994
REMARK 3 S21: -0.0736 S22: 0.0042 S23: -0.0019
REMARK 3 S31: -0.0445 S32: -0.0706 S33: -0.0000
REMARK 3 TLS GROUP : 23
REMARK 3 SELECTION: CHAIN 'D' AND (RESSEQ 2065:2074)
REMARK 3 ORIGIN FOR THE GROUP (A): 43.9019 -17.9157 43.1622
REMARK 3 T TENSOR
REMARK 3 T11: 0.3179 T22: 0.4482
REMARK 3 T33: 0.3666 T12: 0.0765
REMARK 3 T13: -0.0144 T23: 0.0891
REMARK 3 L TENSOR
REMARK 3 L11: 0.0114 L22: 0.0045
REMARK 3 L33: 0.0137 L12: -0.0157
REMARK 3 L13: -0.0159 L23: 0.0105
REMARK 3 S TENSOR
REMARK 3 S11: -0.0976 S12: -0.1895 S13: -0.1396
REMARK 3 S21: 0.0778 S22: 0.0741 S23: -0.0709
REMARK 3 S31: -0.0101 S32: 0.3122 S33: 0.0000
REMARK 3 TLS GROUP : 24
REMARK 3 SELECTION: CHAIN 'D' AND (RESSEQ 2075:2102)
REMARK 3 ORIGIN FOR THE GROUP (A): 44.8767 -13.7363 44.7374
REMARK 3 T TENSOR
REMARK 3 T11: 0.2836 T22: 0.5834
REMARK 3 T33: 0.2656 T12: 0.0367
REMARK 3 T13: -0.0628 T23: 0.0858
REMARK 3 L TENSOR
REMARK 3 L11: 0.0580 L22: 0.0950
REMARK 3 L33: 0.0630 L12: -0.0577
REMARK 3 L13: -0.0081 L23: 0.0723
REMARK 3 S TENSOR
REMARK 3 S11: -0.0870 S12: -0.2476 S13: -0.2096
REMARK 3 S21: 0.2665 S22: 0.0568 S23: -0.1016
REMARK 3 S31: -0.2549 S32: 0.5085 S33: 0.0466
REMARK 3 TLS GROUP : 25
REMARK 3 SELECTION: CHAIN 'D' AND (RESSEQ 2103:2113)
REMARK 3 ORIGIN FOR THE GROUP (A): 45.7420 -18.1203 32.3478
REMARK 3 T TENSOR
REMARK 3 T11: 0.2690 T22: 0.3195
REMARK 3 T33: 0.3317 T12: 0.1215
REMARK 3 T13: 0.1206 T23: 0.0446
REMARK 3 L TENSOR
REMARK 3 L11: 0.4356 L22: 0.1747
REMARK 3 L33: 0.4184 L12: -0.0636
REMARK 3 L13: 0.4142 L23: -0.0005
REMARK 3 S TENSOR
REMARK 3 S11: -0.2636 S12: -0.0759 S13: -0.0783
REMARK 3 S21: -0.1580 S22: -0.0734 S23: -0.1630
REMARK 3 S31: 0.0050 S32: 0.1976 S33: -0.0734
REMARK 3 TLS GROUP : 26
REMARK 3 SELECTION: CHAIN 'E' AND (RESSEQ 3013:3027)
REMARK 3 ORIGIN FOR THE GROUP (A): -2.3531 -30.7453 3.5033
REMARK 3 T TENSOR
REMARK 3 T11: 0.0578 T22: 1.0672
REMARK 3 T33: -0.5951 T12: 0.4556
REMARK 3 T13: 0.5887 T23: -0.1443
REMARK 3 L TENSOR
REMARK 3 L11: 0.0267 L22: 0.0225
REMARK 3 L33: 0.0275 L12: 0.0081
REMARK 3 L13: -0.0120 L23: 0.0298
REMARK 3 S TENSOR
REMARK 3 S11: 0.0747 S12: 0.1355 S13: 0.0611
REMARK 3 S21: -0.0189 S22: -0.1182 S23: -0.1203
REMARK 3 S31: -0.0116 S32: 0.0227 S33: -0.0450
REMARK 3 TLS GROUP : 27
REMARK 3 SELECTION: CHAIN 'E' AND (RESSEQ 3028:3035)
REMARK 3 ORIGIN FOR THE GROUP (A): -15.2402 -30.7268 8.2258
REMARK 3 T TENSOR
REMARK 3 T11: 0.2574 T22: 0.3173
REMARK 3 T33: 0.2139 T12: 0.0793
REMARK 3 T13: -0.0170 T23: -0.0631
REMARK 3 L TENSOR
REMARK 3 L11: 0.0159 L22: -0.0028
REMARK 3 L33: 0.0061 L12: -0.0114
REMARK 3 L13: 0.0035 L23: -0.0070
REMARK 3 S TENSOR
REMARK 3 S11: 0.0693 S12: 0.3218 S13: 0.0105
REMARK 3 S21: -0.1967 S22: -0.2212 S23: 0.1471
REMARK 3 S31: -0.0556 S32: 0.1871 S33: 0.0000
REMARK 3 TLS GROUP : 28
REMARK 3 SELECTION: CHAIN 'E' AND (RESSEQ 3036:3055)
REMARK 3 ORIGIN FOR THE GROUP (A): -14.2499 -23.4926 9.4879
REMARK 3 T TENSOR
REMARK 3 T11: 0.2222 T22: 0.3987
REMARK 3 T33: 0.2266 T12: 0.0401
REMARK 3 T13: 0.0227 T23: 0.0181
REMARK 3 L TENSOR
REMARK 3 L11: 0.0899 L22: 0.2652
REMARK 3 L33: 0.0260 L12: -0.0543
REMARK 3 L13: 0.0630 L23: -0.0072
REMARK 3 S TENSOR
REMARK 3 S11: 0.1577 S12: 0.2416 S13: 0.2655
REMARK 3 S21: 0.1077 S22: -0.2135 S23: 0.0249
REMARK 3 S31: 0.0407 S32: 0.1963 S33: -0.0008
REMARK 3 TLS GROUP : 29
REMARK 3 SELECTION: CHAIN 'E' AND (RESSEQ 3056:3075)
REMARK 3 ORIGIN FOR THE GROUP (A): -24.6269 -28.4958 9.1975
REMARK 3 T TENSOR
REMARK 3 T11: 0.2712 T22: 0.3604
REMARK 3 T33: 0.2468 T12: -0.0368
REMARK 3 T13: -0.0011 T23: -0.0003
REMARK 3 L TENSOR
REMARK 3 L11: 0.0749 L22: 0.0527
REMARK 3 L33: 0.0180 L12: -0.0407
REMARK 3 L13: 0.0463 L23: -0.0409
REMARK 3 S TENSOR
REMARK 3 S11: 0.2534 S12: 0.0527 S13: -0.2479
REMARK 3 S21: -0.1844 S22: -0.1864 S23: 0.2164
REMARK 3 S31: 0.2841 S32: 0.0720 S33: -0.0021
REMARK 3 TLS GROUP : 30
REMARK 3 SELECTION: CHAIN 'E' AND (RESSEQ 3076:3090)
REMARK 3 ORIGIN FOR THE GROUP (A): -13.9987 -24.4258 9.2074
REMARK 3 T TENSOR
REMARK 3 T11: 0.2311 T22: 0.3413
REMARK 3 T33: 0.2205 T12: 0.0519
REMARK 3 T13: -0.0003 T23: 0.0229
REMARK 3 L TENSOR
REMARK 3 L11: 0.0184 L22: 0.0167
REMARK 3 L33: 0.0178 L12: -0.0198
REMARK 3 L13: 0.0339 L23: -0.0249
REMARK 3 S TENSOR
REMARK 3 S11: 0.1116 S12: 0.4052 S13: 0.0576
REMARK 3 S21: -0.0585 S22: -0.0612 S23: -0.1351
REMARK 3 S31: 0.0209 S32: -0.0212 S33: 0.0000
REMARK 3 TLS GROUP : 31
REMARK 3 SELECTION: CHAIN 'H' AND (RESSEQ 3014:3027)
REMARK 3 ORIGIN FOR THE GROUP (A): 31.3842 2.2251 2.9957
REMARK 3 T TENSOR
REMARK 3 T11: 0.3375 T22: 0.4138
REMARK 3 T33: 0.3194 T12: -0.0114
REMARK 3 T13: -0.0954 T23: -0.0682
REMARK 3 L TENSOR
REMARK 3 L11: 0.0161 L22: 0.0102
REMARK 3 L33: 0.0074 L12: 0.0031
REMARK 3 L13: -0.0074 L23: 0.0131
REMARK 3 S TENSOR
REMARK 3 S11: -0.2627 S12: 0.2093 S13: -0.0360
REMARK 3 S21: -0.3001 S22: 0.0200 S23: -0.0123
REMARK 3 S31: -0.0173 S32: 0.0856 S33: -0.0014
REMARK 3 TLS GROUP : 32
REMARK 3 SELECTION: CHAIN 'H' AND (RESSEQ 3028:3040)
REMARK 3 ORIGIN FOR THE GROUP (A): 44.2100 3.0401 13.8342
REMARK 3 T TENSOR
REMARK 3 T11: 0.2979 T22: 0.3165
REMARK 3 T33: 0.2518 T12: -0.0713
REMARK 3 T13: 0.0081 T23: -0.0422
REMARK 3 L TENSOR
REMARK 3 L11: 0.0958 L22: 0.0635
REMARK 3 L33: 0.0200 L12: -0.0547
REMARK 3 L13: -0.0379 L23: 0.0043
REMARK 3 S TENSOR
REMARK 3 S11: 0.0738 S12: 0.0125 S13: 0.0606
REMARK 3 S21: 0.0185 S22: 0.3196 S23: 0.0090
REMARK 3 S31: -0.1203 S32: 0.0771 S33: 0.0000
REMARK 3 TLS GROUP : 33
REMARK 3 SELECTION: CHAIN 'H' AND (RESSEQ 3041:3055)
REMARK 3 ORIGIN FOR THE GROUP (A): 39.8143 -3.6116 10.1991
REMARK 3 T TENSOR
REMARK 3 T11: 0.2608 T22: 0.3187
REMARK 3 T33: 0.2555 T12: -0.0685
REMARK 3 T13: -0.0130 T23: -0.0242
REMARK 3 L TENSOR
REMARK 3 L11: 0.0439 L22: 0.0343
REMARK 3 L33: 0.0209 L12: -0.0468
REMARK 3 L13: 0.0150 L23: -0.0079
REMARK 3 S TENSOR
REMARK 3 S11: -0.0019 S12: 0.1032 S13: 0.0957
REMARK 3 S21: -0.0900 S22: 0.0771 S23: 0.0727
REMARK 3 S31: 0.0052 S32: -0.0346 S33: 0.0000
REMARK 3 TLS GROUP : 34
REMARK 3 SELECTION: CHAIN 'H' AND (RESSEQ 3056:3075)
REMARK 3 ORIGIN FOR THE GROUP (A): 52.1082 -0.0660 10.8457
REMARK 3 T TENSOR
REMARK 3 T11: 0.2724 T22: 0.3066
REMARK 3 T33: 0.2874 T12: -0.0658
REMARK 3 T13: 0.0097 T23: -0.0492
REMARK 3 L TENSOR
REMARK 3 L11: 0.0441 L22: 0.0311
REMARK 3 L33: 0.0144 L12: -0.0086
REMARK 3 L13: 0.0119 L23: -0.0321
REMARK 3 S TENSOR
REMARK 3 S11: 0.0039 S12: 0.2157 S13: 0.1067
REMARK 3 S21: -0.1716 S22: 0.0059 S23: -0.0597
REMARK 3 S31: -0.1572 S32: 0.0649 S33: 0.0000
REMARK 3 TLS GROUP : 35
REMARK 3 SELECTION: CHAIN 'H' AND (RESSEQ 3076:3091)
REMARK 3 ORIGIN FOR THE GROUP (A): 41.4316 -0.4975 11.9683
REMARK 3 T TENSOR
REMARK 3 T11: 0.3195 T22: 0.2572
REMARK 3 T33: 0.2525 T12: -0.0542
REMARK 3 T13: 0.0004 T23: -0.0194
REMARK 3 L TENSOR
REMARK 3 L11: 0.0487 L22: 0.0319
REMARK 3 L33: 0.0023 L12: -0.0079
REMARK 3 L13: -0.0133 L23: 0.0260
REMARK 3 S TENSOR
REMARK 3 S11: -0.0742 S12: 0.2214 S13: 0.0241
REMARK 3 S21: 0.0005 S22: 0.1227 S23: 0.0260
REMARK 3 S31: -0.1252 S32: -0.0092 S33: 0.0000
REMARK 3 TLS GROUP : 36
REMARK 3 SELECTION: CHAIN 'F' AND (RESSEQ 4004:4023)
REMARK 3 ORIGIN FOR THE GROUP (A): -19.8574 -14.2016 -0.1617
REMARK 3 T TENSOR
REMARK 3 T11: 0.2270 T22: 0.4791
REMARK 3 T33: 0.1880 T12: 0.0564
REMARK 3 T13: 0.0442 T23: 0.1662
REMARK 3 L TENSOR
REMARK 3 L11: 0.2656 L22: 0.2599
REMARK 3 L33: 0.4624 L12: 0.0175
REMARK 3 L13: 0.0588 L23: 0.3310
REMARK 3 S TENSOR
REMARK 3 S11: -0.3254 S12: 0.1775 S13: 0.1523
REMARK 3 S21: -0.1041 S22: -0.2006 S23: -0.0730
REMARK 3 S31: -0.2172 S32: 0.1403 S33: -0.4473
REMARK 3 TLS GROUP : 37
REMARK 3 SELECTION: CHAIN 'F' AND (RESSEQ 4024:4050)
REMARK 3 ORIGIN FOR THE GROUP (A): -24.2986 -8.8704 7.8921
REMARK 3 T TENSOR
REMARK 3 T11: 0.3185 T22: 0.4100
REMARK 3 T33: 0.3048 T12: 0.0797
REMARK 3 T13: -0.0195 T23: 0.0703
REMARK 3 L TENSOR
REMARK 3 L11: -0.0021 L22: 0.1749
REMARK 3 L33: 0.0770 L12: -0.0214
REMARK 3 L13: 0.0532 L23: 0.0511
REMARK 3 S TENSOR
REMARK 3 S11: -0.0156 S12: 0.1000 S13: 0.1028
REMARK 3 S21: -0.2006 S22: -0.0668 S23: 0.0925
REMARK 3 S31: 0.0272 S32: 0.1034 S33: 0.0000
REMARK 3 TLS GROUP : 38
REMARK 3 SELECTION: CHAIN 'F' AND (RESSEQ 4051:4076)
REMARK 3 ORIGIN FOR THE GROUP (A): -26.2969 -11.2174 10.1493
REMARK 3 T TENSOR
REMARK 3 T11: 0.2190 T22: 0.3289
REMARK 3 T33: 0.2524 T12: 0.0912
REMARK 3 T13: 0.0048 T23: 0.0245
REMARK 3 L TENSOR
REMARK 3 L11: 0.1205 L22: 0.2275
REMARK 3 L33: 0.0942 L12: 0.0114
REMARK 3 L13: 0.0072 L23: 0.0020
REMARK 3 S TENSOR
REMARK 3 S11: -0.1308 S12: 0.2634 S13: 0.0670
REMARK 3 S21: -0.0117 S22: -0.1045 S23: 0.1810
REMARK 3 S31: -0.0363 S32: -0.0817 S33: -0.0494
REMARK 3 TLS GROUP : 39
REMARK 3 SELECTION: CHAIN 'I' AND (RESSEQ 4003:4014)
REMARK 3 ORIGIN FOR THE GROUP (A): 39.5871 -15.5167 7.1623
REMARK 3 T TENSOR
REMARK 3 T11: 0.3693 T22: 0.3106
REMARK 3 T33: 0.2777 T12: -0.0662
REMARK 3 T13: 0.0109 T23: -0.1543
REMARK 3 L TENSOR
REMARK 3 L11: 0.0395 L22: 0.0193
REMARK 3 L33: 0.0280 L12: 0.0071
REMARK 3 L13: 0.0064 L23: 0.0133
REMARK 3 S TENSOR
REMARK 3 S11: -0.0946 S12: 0.2151 S13: -0.0524
REMARK 3 S21: -0.1632 S22: -0.0456 S23: 0.1824
REMARK 3 S31: -0.0058 S32: -0.2382 S33: 0.0066
REMARK 3 TLS GROUP : 40
REMARK 3 SELECTION: CHAIN 'I' AND (RESSEQ 4015:4023)
REMARK 3 ORIGIN FOR THE GROUP (A): 49.9995 -15.9175 15.8952
REMARK 3 T TENSOR
REMARK 3 T11: 0.3518 T22: 0.1691
REMARK 3 T33: 0.2668 T12: 0.0609
REMARK 3 T13: 0.0701 T23: -0.0972
REMARK 3 L TENSOR
REMARK 3 L11: 0.0899 L22: 0.0250
REMARK 3 L33: 0.2349 L12: -0.0463
REMARK 3 L13: 0.1406 L23: -0.0764
REMARK 3 S TENSOR
REMARK 3 S11: -0.2768 S12: 0.1271 S13: -0.1317
REMARK 3 S21: -0.0661 S22: -0.1418 S23: -0.0501
REMARK 3 S31: -0.0368 S32: -0.1229 S33: -0.2628
REMARK 3 TLS GROUP : 41
REMARK 3 SELECTION: CHAIN 'I' AND (RESSEQ 4024:4036)
REMARK 3 ORIGIN FOR THE GROUP (A): 49.3554 -14.7073 21.1198
REMARK 3 T TENSOR
REMARK 3 T11: 0.3488 T22: 0.2359
REMARK 3 T33: 0.3728 T12: 0.0573
REMARK 3 T13: 0.0563 T23: -0.0294
REMARK 3 L TENSOR
REMARK 3 L11: 0.0036 L22: 0.0745
REMARK 3 L33: 0.1483 L12: -0.0050
REMARK 3 L13: 0.0093 L23: -0.1142
REMARK 3 S TENSOR
REMARK 3 S11: -0.1122 S12: 0.0841 S13: -0.2198
REMARK 3 S21: 0.0406 S22: -0.1245 S23: -0.1549
REMARK 3 S31: -0.0405 S32: 0.1031 S33: -0.0148
REMARK 3 TLS GROUP : 42
REMARK 3 SELECTION: CHAIN 'I' AND (RESSEQ 4037:4056)
REMARK 3 ORIGIN FOR THE GROUP (A): 50.7718 -16.3288 22.5321
REMARK 3 T TENSOR
REMARK 3 T11: 0.3002 T22: 0.3553
REMARK 3 T33: 0.4547 T12: 0.0993
REMARK 3 T13: -0.0026 T23: -0.0189
REMARK 3 L TENSOR
REMARK 3 L11: 0.0204 L22: 0.0314
REMARK 3 L33: 0.1454 L12: 0.0066
REMARK 3 L13: -0.0197 L23: -0.0943
REMARK 3 S TENSOR
REMARK 3 S11: -0.3513 S12: -0.1305 S13: -0.0430
REMARK 3 S21: 0.0049 S22: 0.1095 S23: -0.2054
REMARK 3 S31: 0.2252 S32: 0.1955 S33: -0.0087
REMARK 3 TLS GROUP : 43
REMARK 3 SELECTION: CHAIN 'I' AND (RESSEQ 4057:4076)
REMARK 3 ORIGIN FOR THE GROUP (A): 48.3603 -14.9192 21.0199
REMARK 3 T TENSOR
REMARK 3 T11: 0.2995 T22: 0.2232
REMARK 3 T33: 0.2632 T12: 0.0901
REMARK 3 T13: 0.0697 T23: 0.0061
REMARK 3 L TENSOR
REMARK 3 L11: 0.1122 L22: 0.1801
REMARK 3 L33: 0.0975 L12: 0.1451
REMARK 3 L13: 0.1166 L23: 0.1174
REMARK 3 S TENSOR
REMARK 3 S11: -0.2801 S12: -0.1131 S13: -0.1363
REMARK 3 S21: -0.1039 S22: 0.0117 S23: -0.0802
REMARK 3 S31: 0.2150 S32: 0.2274 S33: -0.0547
REMARK 3 TLS GROUP : 44
REMARK 3 SELECTION: CHAIN 'G' AND (RESSEQ 5007:5012)
REMARK 3 ORIGIN FOR THE GROUP (A): 9.2023 -27.9751 20.9856
REMARK 3 T TENSOR
REMARK 3 T11: 0.2762 T22: 0.4564
REMARK 3 T33: 0.4670 T12: 0.0355
REMARK 3 T13: -0.0273 T23: -0.0173
REMARK 3 L TENSOR
REMARK 3 L11: 0.0034 L22: 0.0010
REMARK 3 L33: 0.0012 L12: -0.0029
REMARK 3 L13: 0.0012 L23: -0.0009
REMARK 3 S TENSOR
REMARK 3 S11: 0.0696 S12: -0.0169 S13: 0.0457
REMARK 3 S21: -0.0657 S22: 0.0816 S23: -0.1481
REMARK 3 S31: -0.0479 S32: 0.0642 S33: -0.0000
REMARK 3 TLS GROUP : 45
REMARK 3 SELECTION: CHAIN 'G' AND (RESSEQ 5013:5024)
REMARK 3 ORIGIN FOR THE GROUP (A): -3.1332 -31.4218 23.3527
REMARK 3 T TENSOR
REMARK 3 T11: 0.3376 T22: 0.2517
REMARK 3 T33: 0.3035 T12: 0.0715
REMARK 3 T13: -0.0027 T23: 0.0030
REMARK 3 L TENSOR
REMARK 3 L11: 0.0181 L22: 0.0039
REMARK 3 L33: 0.0551 L12: 0.0116
REMARK 3 L13: 0.0446 L23: 0.0150
REMARK 3 S TENSOR
REMARK 3 S11: 0.1241 S12: 0.0386 S13: 0.1066
REMARK 3 S21: 0.1878 S22: -0.1737 S23: -0.1882
REMARK 3 S31: 0.2076 S32: 0.2199 S33: -0.0000
REMARK 3 TLS GROUP : 46
REMARK 3 SELECTION: CHAIN 'G' AND (RESSEQ 5025:5034)
REMARK 3 ORIGIN FOR THE GROUP (A): -3.1495 -33.2718 20.1699
REMARK 3 T TENSOR
REMARK 3 T11: 0.3747 T22: 0.2335
REMARK 3 T33: 0.2399 T12: 0.0784
REMARK 3 T13: -0.0202 T23: 0.0214
REMARK 3 L TENSOR
REMARK 3 L11: 0.1590 L22: 0.2207
REMARK 3 L33: 0.0800 L12: 0.1291
REMARK 3 L13: 0.0418 L23: 0.1148
REMARK 3 S TENSOR
REMARK 3 S11: 0.1997 S12: 0.0971 S13: -0.0741
REMARK 3 S21: 0.1539 S22: -0.0703 S23: 0.2018
REMARK 3 S31: 0.3148 S32: 0.1328 S33: -0.0001
REMARK 3 TLS GROUP : 47
REMARK 3 SELECTION: CHAIN 'G' AND (RESSEQ 5035:5039)
REMARK 3 ORIGIN FOR THE GROUP (A): 1.7278 -21.7547 13.4603
REMARK 3 T TENSOR
REMARK 3 T11: 0.3360 T22: 0.7471
REMARK 3 T33: 0.6230 T12: 0.0616
REMARK 3 T13: 0.0728 T23: 0.2911
REMARK 3 L TENSOR
REMARK 3 L11: 0.0034 L22: 0.0056
REMARK 3 L33: 0.0107 L12: 0.0043
REMARK 3 L13: -0.0042 L23: -0.0036
REMARK 3 S TENSOR
REMARK 3 S11: -0.0153 S12: 0.0419 S13: 0.0458
REMARK 3 S21: -0.0108 S22: -0.0365 S23: 0.0102
REMARK 3 S31: -0.0556 S32: -0.0065 S33: 0.0000
REMARK 3 TLS GROUP : 48
REMARK 3 SELECTION: CHAIN 'G' AND (RESSEQ 5040:5048)
REMARK 3 ORIGIN FOR THE GROUP (A): -5.7237 -36.3867 18.0512
REMARK 3 T TENSOR
REMARK 3 T11: 0.4444 T22: 0.2302
REMARK 3 T33: 0.3655 T12: 0.1093
REMARK 3 T13: -0.0163 T23: -0.0094
REMARK 3 L TENSOR
REMARK 3 L11: 0.0065 L22: 0.0149
REMARK 3 L33: -0.0026 L12: 0.0171
REMARK 3 L13: 0.0010 L23: -0.0109
REMARK 3 S TENSOR
REMARK 3 S11: 0.2666 S12: 0.2001 S13: -0.3094
REMARK 3 S21: 0.1274 S22: -0.0418 S23: 0.2499
REMARK 3 S31: 0.3299 S32: 0.1994 S33: 0.0000
REMARK 3 TLS GROUP : 49
REMARK 3 SELECTION: CHAIN 'G' AND (RESSEQ 5049:5053)
REMARK 3 ORIGIN FOR THE GROUP (A): -17.5200 -38.7589 26.8941
REMARK 3 T TENSOR
REMARK 3 T11: 0.5802 T22: 0.3660
REMARK 3 T33: 0.9525 T12: -0.1652
REMARK 3 T13: 0.1227 T23: 0.1195
REMARK 3 L TENSOR
REMARK 3 L11: 0.0251 L22: 0.0365
REMARK 3 L33: 0.0239 L12: -0.0281
REMARK 3 L13: 0.0239 L23: -0.0243
REMARK 3 S TENSOR
REMARK 3 S11: 0.0926 S12: -0.0231 S13: -0.0040
REMARK 3 S21: -0.0211 S22: 0.0517 S23: 0.0228
REMARK 3 S31: 0.0219 S32: -0.0653 S33: 0.0077
REMARK 3 TLS GROUP : 50
REMARK 3 SELECTION: CHAIN 'G' AND (RESSEQ 5054:5058)
REMARK 3 ORIGIN FOR THE GROUP (A): -11.5219 -40.5746 18.5520
REMARK 3 T TENSOR
REMARK 3 T11: 0.7108 T22: -0.0011
REMARK 3 T33: 0.5710 T12: 0.0137
REMARK 3 T13: -0.1626 T23: -0.0897
REMARK 3 L TENSOR
REMARK 3 L11: -0.0025 L22: 0.0011
REMARK 3 L33: -0.0002 L12: 0.0036
REMARK 3 L13: -0.0013 L23: -0.0001
REMARK 3 S TENSOR
REMARK 3 S11: 0.0661 S12: 0.0422 S13: -0.1438
REMARK 3 S21: 0.0264 S22: -0.0118 S23: 0.1648
REMARK 3 S31: 0.0666 S32: -0.0195 S33: 0.0344
REMARK 3 TLS GROUP : 51
REMARK 3 SELECTION: CHAIN 'G' AND (RESSEQ 5059:5063)
REMARK 3 ORIGIN FOR THE GROUP (A): -5.5108 -29.5510 13.2578
REMARK 3 T TENSOR
REMARK 3 T11: 0.2897 T22: 0.2796
REMARK 3 T33: 0.2525 T12: 0.0846
REMARK 3 T13: -0.0370 T23: 0.0167
REMARK 3 L TENSOR
REMARK 3 L11: 0.0120 L22: 0.0062
REMARK 3 L33: 0.0034 L12: -0.0058
REMARK 3 L13: 0.0140 L23: -0.0038
REMARK 3 S TENSOR
REMARK 3 S11: -0.0397 S12: 0.1887 S13: 0.2226
REMARK 3 S21: 0.0552 S22: -0.1127 S23: 0.0655
REMARK 3 S31: 0.1122 S32: 0.1485 S33: -0.0000
REMARK 3 TLS GROUP : 52
REMARK 3 SELECTION: CHAIN 'G' AND (RESSEQ 5064:5074)
REMARK 3 ORIGIN FOR THE GROUP (A): -1.5621 -28.9564 25.6542
REMARK 3 T TENSOR
REMARK 3 T11: 0.3556 T22: 0.2991
REMARK 3 T33: 0.2723 T12: -0.0055
REMARK 3 T13: -0.0556 T23: -0.0042
REMARK 3 L TENSOR
REMARK 3 L11: 0.0214 L22: 0.0171
REMARK 3 L33: 0.0033 L12: 0.0252
REMARK 3 L13: 0.0272 L23: 0.0108
REMARK 3 S TENSOR
REMARK 3 S11: 0.0775 S12: 0.0305 S13: 0.0874
REMARK 3 S21: 0.2526 S22: -0.0414 S23: 0.2283
REMARK 3 S31: 0.1704 S32: 0.0810 S33: -0.0000
REMARK 3 TLS GROUP : 53
REMARK 3 SELECTION: CHAIN 'J' AND (RESSEQ 5008:5015)
REMARK 3 ORIGIN FOR THE GROUP (A): 21.1892 13.7617 16.0535
REMARK 3 T TENSOR
REMARK 3 T11: 0.4352 T22: 0.4653
REMARK 3 T33: 0.9298 T12: 0.1486
REMARK 3 T13: -0.0236 T23: 0.1093
REMARK 3 L TENSOR
REMARK 3 L11: 0.0039 L22: 0.0004
REMARK 3 L33: 0.0010 L12: -0.0023
REMARK 3 L13: -0.0021 L23: 0.0038
REMARK 3 S TENSOR
REMARK 3 S11: -0.0061 S12: 0.0048 S13: -0.0556
REMARK 3 S21: -0.0873 S22: -0.0860 S23: 0.1628
REMARK 3 S31: -0.0792 S32: -0.0554 S33: 0.0000
REMARK 3 TLS GROUP : 54
REMARK 3 SELECTION: CHAIN 'J' AND (RESSEQ 5016:5024)
REMARK 3 ORIGIN FOR THE GROUP (A): 35.3687 13.8444 21.1686
REMARK 3 T TENSOR
REMARK 3 T11: 0.4943 T22: 0.2540
REMARK 3 T33: 0.3341 T12: -0.0220
REMARK 3 T13: 0.0969 T23: 0.0220
REMARK 3 L TENSOR
REMARK 3 L11: 0.0048 L22: 0.0058
REMARK 3 L33: 0.0146 L12: -0.0048
REMARK 3 L13: -0.0056 L23: 0.0097
REMARK 3 S TENSOR
REMARK 3 S11: 0.0834 S12: -0.1324 S13: -0.0186
REMARK 3 S21: 0.0114 S22: 0.0103 S23: -0.1076
REMARK 3 S31: -0.0753 S32: 0.1275 S33: -0.0000
REMARK 3 TLS GROUP : 55
REMARK 3 SELECTION: CHAIN 'J' AND (RESSEQ 5025:5034)
REMARK 3 ORIGIN FOR THE GROUP (A): 32.5847 13.8735 15.4113
REMARK 3 T TENSOR
REMARK 3 T11: 0.4407 T22: 0.2001
REMARK 3 T33: 0.5012 T12: 0.0457
REMARK 3 T13: -0.0041 T23: 0.0245
REMARK 3 L TENSOR
REMARK 3 L11: 0.0506 L22: -0.0030
REMARK 3 L33: 0.0543 L12: -0.0037
REMARK 3 L13: -0.0302 L23: 0.0230
REMARK 3 S TENSOR
REMARK 3 S11: 0.2693 S12: 0.1330 S13: 0.2452
REMARK 3 S21: 0.0863 S22: -0.0825 S23: 0.0790
REMARK 3 S31: -0.4219 S32: -0.1034 S33: 0.0126
REMARK 3 TLS GROUP : 56
REMARK 3 SELECTION: CHAIN 'J' AND (RESSEQ 5035:5043)
REMARK 3 ORIGIN FOR THE GROUP (A): 27.9182 5.1453 13.7180
REMARK 3 T TENSOR
REMARK 3 T11: 0.3564 T22: 0.4579
REMARK 3 T33: 0.4501 T12: 0.0270
REMARK 3 T13: -0.0042 T23: -0.0045
REMARK 3 L TENSOR
REMARK 3 L11: 0.0142 L22: 0.0172
REMARK 3 L33: 0.0095 L12: -0.0123
REMARK 3 L13: -0.0083 L23: 0.0143
REMARK 3 S TENSOR
REMARK 3 S11: 0.0317 S12: -0.0312 S13: -0.0669
REMARK 3 S21: 0.0289 S22: -0.0990 S23: 0.1213
REMARK 3 S31: 0.0084 S32: -0.2760 S33: 0.0000
REMARK 3 TLS GROUP : 57
REMARK 3 SELECTION: CHAIN 'J' AND (RESSEQ 5044:5053)
REMARK 3 ORIGIN FOR THE GROUP (A): 42.5554 19.0945 15.4740
REMARK 3 T TENSOR
REMARK 3 T11: 0.5280 T22: 0.2419
REMARK 3 T33: 0.6047 T12: -0.1171
REMARK 3 T13: 0.0346 T23: 0.0945
REMARK 3 L TENSOR
REMARK 3 L11: 0.2292 L22: 0.0610
REMARK 3 L33: 0.0804 L12: -0.0499
REMARK 3 L13: 0.1064 L23: -0.0506
REMARK 3 S TENSOR
REMARK 3 S11: 0.1106 S12: -0.0028 S13: 0.0231
REMARK 3 S21: -0.0319 S22: -0.0385 S23: 0.0160
REMARK 3 S31: -0.0958 S32: 0.0467 S33: 0.0182
REMARK 3 TLS GROUP : 58
REMARK 3 SELECTION: CHAIN 'J' AND (RESSEQ 5054:5059)
REMARK 3 ORIGIN FOR THE GROUP (A): 40.3433 16.2335 9.5326
REMARK 3 T TENSOR
REMARK 3 T11: 0.6490 T22: 0.3462
REMARK 3 T33: 0.4442 T12: -0.0449
REMARK 3 T13: 0.0824 T23: 0.0919
REMARK 3 L TENSOR
REMARK 3 L11: 0.0007 L22: 0.0076
REMARK 3 L33: 0.0035 L12: 0.0017
REMARK 3 L13: 0.0012 L23: -0.0056
REMARK 3 S TENSOR
REMARK 3 S11: 0.2236 S12: 0.0489 S13: 0.2022
REMARK 3 S21: -0.0920 S22: 0.0863 S23: -0.0752
REMARK 3 S31: -0.0857 S32: 0.0545 S33: -0.0000
REMARK 3 TLS GROUP : 59
REMARK 3 SELECTION: CHAIN 'J' AND (RESSEQ 5060:5074)
REMARK 3 ORIGIN FOR THE GROUP (A): 31.5085 11.3519 19.8602
REMARK 3 T TENSOR
REMARK 3 T11: 0.4065 T22: 0.2248
REMARK 3 T33: 0.4553 T12: 0.0290
REMARK 3 T13: 0.0640 T23: -0.0094
REMARK 3 L TENSOR
REMARK 3 L11: 0.0477 L22: -0.0003
REMARK 3 L33: 0.0115 L12: 0.0128
REMARK 3 L13: -0.0308 L23: -0.0081
REMARK 3 S TENSOR
REMARK 3 S11: -0.0339 S12: -0.0222 S13: 0.1855
REMARK 3 S21: 0.1555 S22: -0.1305 S23: 0.2644
REMARK 3 S31: -0.3389 S32: 0.2309 S33: -0.0000
REMARK 3 TLS GROUP : 60
REMARK 3 SELECTION: CHAIN 'Q' AND (RESSEQ 6001:6013)
REMARK 3 ORIGIN FOR THE GROUP (A): 18.3932 13.5888 26.4254
REMARK 3 T TENSOR
REMARK 3 T11: 0.3861 T22: 0.0744
REMARK 3 T33: 0.8005 T12: 0.0709
REMARK 3 T13: 0.2088 T23: 0.1710
REMARK 3 L TENSOR
REMARK 3 L11: 0.0023 L22: 0.0633
REMARK 3 L33: -0.0029 L12: 0.0016
REMARK 3 L13: 0.0009 L23: 0.0036
REMARK 3 S TENSOR
REMARK 3 S11: 0.2655 S12: 0.0334 S13: 0.0766
REMARK 3 S21: 0.0713 S22: 0.1287 S23: 0.1778
REMARK 3 S31: -0.0032 S32: -0.1666 S33: 0.1559
REMARK 3 TLS GROUP : 61
REMARK 3 SELECTION: CHAIN 'Q' AND (RESSEQ 6014:6038)
REMARK 3 ORIGIN FOR THE GROUP (A): 19.3502 15.3509 39.4622
REMARK 3 T TENSOR
REMARK 3 T11: 0.4410 T22: 0.2424
REMARK 3 T33: 0.6787 T12: 0.0264
REMARK 3 T13: 0.2242 T23: -0.0674
REMARK 3 L TENSOR
REMARK 3 L11: 0.0147 L22: 0.4498
REMARK 3 L33: 0.7260 L12: -0.0202
REMARK 3 L13: 0.0311 L23: -0.5589
REMARK 3 S TENSOR
REMARK 3 S11: 0.3827 S12: 0.0626 S13: 0.2471
REMARK 3 S21: 0.2372 S22: 0.2842 S23: 0.2526
REMARK 3 S31: -0.4340 S32: -0.3125 S33: 0.3508
REMARK 3 TLS GROUP : 62
REMARK 3 SELECTION: CHAIN 'Q' AND (RESSEQ 6039:6142)
REMARK 3 ORIGIN FOR THE GROUP (A): 25.8527 11.6681 38.3416
REMARK 3 T TENSOR
REMARK 3 T11: 0.3830 T22: 0.1304
REMARK 3 T33: 0.5729 T12: -0.0951
REMARK 3 T13: 0.1740 T23: -0.1862
REMARK 3 L TENSOR
REMARK 3 L11: 0.1010 L22: 0.6539
REMARK 3 L33: 0.5566 L12: -0.1575
REMARK 3 L13: -0.1565 L23: 0.0668
REMARK 3 S TENSOR
REMARK 3 S11: 0.2503 S12: -0.4260 S13: 0.8086
REMARK 3 S21: -0.2351 S22: 0.2554 S23: -0.3518
REMARK 3 S31: -0.2832 S32: 0.5195 S33: 0.5706
REMARK 3 TLS GROUP : 63
REMARK 3 SELECTION: CHAIN 'Q' AND (RESSEQ 6143:6162)
REMARK 3 ORIGIN FOR THE GROUP (A): 16.8631 1.4871 38.7542
REMARK 3 T TENSOR
REMARK 3 T11: 0.2311 T22: 0.2830
REMARK 3 T33: 0.3133 T12: -0.0078
REMARK 3 T13: 0.0372 T23: -0.0485
REMARK 3 L TENSOR
REMARK 3 L11: 0.0437 L22: 0.0364
REMARK 3 L33: 0.0099 L12: 0.0379
REMARK 3 L13: 0.0198 L23: 0.0013
REMARK 3 S TENSOR
REMARK 3 S11: -0.0202 S12: 0.1173 S13: 0.1267
REMARK 3 S21: -0.0832 S22: 0.2394 S23: 0.1200
REMARK 3 S31: 0.0193 S32: -0.0904 S33: 0.0001
REMARK 3 TLS GROUP : 64
REMARK 3 SELECTION: CHAIN 'P' AND (RESSEQ 6001:6005)
REMARK 3 ORIGIN FOR THE GROUP (A): 2.7889 -25.4785 28.2384
REMARK 3 T TENSOR
REMARK 3 T11: 0.3377 T22: 0.2831
REMARK 3 T33: 0.2822 T12: -0.0497
REMARK 3 T13: -0.0524 T23: -0.0112
REMARK 3 L TENSOR
REMARK 3 L11: 0.0068 L22: 0.0033
REMARK 3 L33: 0.0109 L12: -0.0073
REMARK 3 L13: 0.0091 L23: -0.0058
REMARK 3 S TENSOR
REMARK 3 S11: 0.0687 S12: 0.0367 S13: 0.0829
REMARK 3 S21: 0.0709 S22: 0.1568 S23: 0.0700
REMARK 3 S31: 0.0712 S32: 0.0951 S33: -0.0001
REMARK 3 TLS GROUP : 65
REMARK 3 SELECTION: CHAIN 'P' AND (RESSEQ 6006:6013)
REMARK 3 ORIGIN FOR THE GROUP (A): 15.5651 -22.0892 28.3172
REMARK 3 T TENSOR
REMARK 3 T11: 0.3448 T22: 0.5014
REMARK 3 T33: 0.4030 T12: 0.0778
REMARK 3 T13: -0.0656 T23: -0.0679
REMARK 3 L TENSOR
REMARK 3 L11: 0.0077 L22: 0.0004
REMARK 3 L33: 0.0063 L12: 0.0018
REMARK 3 L13: -0.0075 L23: 0.0029
REMARK 3 S TENSOR
REMARK 3 S11: 0.2155 S12: 0.1494 S13: 0.0288
REMARK 3 S21: -0.1754 S22: 0.1805 S23: -0.0631
REMARK 3 S31: -0.1618 S32: 0.1145 S33: 0.0000
REMARK 3 TLS GROUP : 66
REMARK 3 SELECTION: CHAIN 'P' AND (RESSEQ 6014:6018)
REMARK 3 ORIGIN FOR THE GROUP (A): 15.3393 -12.5956 33.5168
REMARK 3 T TENSOR
REMARK 3 T11: 0.2960 T22: 0.2730
REMARK 3 T33: 0.3594 T12: -0.0339
REMARK 3 T13: 0.0031 T23: -0.0279
REMARK 3 L TENSOR
REMARK 3 L11: 0.0044 L22: 0.0030
REMARK 3 L33: 0.0018 L12: -0.0016
REMARK 3 L13: 0.0025 L23: -0.0028
REMARK 3 S TENSOR
REMARK 3 S11: -0.0039 S12: -0.0919 S13: 0.0595
REMARK 3 S21: 0.0331 S22: 0.0361 S23: -0.1045
REMARK 3 S31: -0.0742 S32: 0.0310 S33: 0.0000
REMARK 3 TLS GROUP : 67
REMARK 3 SELECTION: CHAIN 'P' AND (RESSEQ 6019:6027)
REMARK 3 ORIGIN FOR THE GROUP (A): 4.5045 -18.4626 43.9207
REMARK 3 T TENSOR
REMARK 3 T11: 0.2894 T22: 0.4753
REMARK 3 T33: 0.2420 T12: -0.0133
REMARK 3 T13: -0.0548 T23: 0.0834
REMARK 3 L TENSOR
REMARK 3 L11: 0.0004 L22: 0.0330
REMARK 3 L33: 0.0291 L12: 0.0045
REMARK 3 L13: 0.0094 L23: 0.0124
REMARK 3 S TENSOR
REMARK 3 S11: -0.0421 S12: -0.0836 S13: 0.0215
REMARK 3 S21: 0.3235 S22: 0.1025 S23: -0.0144
REMARK 3 S31: 0.0641 S32: -0.0181 S33: 0.0102
REMARK 3 TLS GROUP : 68
REMARK 3 SELECTION: CHAIN 'P' AND (RESSEQ 6028:6046)
REMARK 3 ORIGIN FOR THE GROUP (A): 8.4523 -19.5450 35.9859
REMARK 3 T TENSOR
REMARK 3 T11: 0.2322 T22: 0.2354
REMARK 3 T33: 0.2325 T12: 0.0036
REMARK 3 T13: -0.0689 T23: 0.0533
REMARK 3 L TENSOR
REMARK 3 L11: 0.1076 L22: 1.0529
REMARK 3 L33: 0.7312 L12: -0.0148
REMARK 3 L13: -0.0270 L23: 0.8559
REMARK 3 S TENSOR
REMARK 3 S11: 0.0812 S12: -0.0921 S13: -0.2838
REMARK 3 S21: -0.1177 S22: 0.3511 S23: -0.1104
REMARK 3 S31: 0.1555 S32: 0.0987 S33: 0.3083
REMARK 3 TLS GROUP : 69
REMARK 3 SELECTION: CHAIN 'P' AND (RESSEQ 6047:6051)
REMARK 3 ORIGIN FOR THE GROUP (A): 8.8614 -29.4955 40.3403
REMARK 3 T TENSOR
REMARK 3 T11: 0.5814 T22: 0.1574
REMARK 3 T33: 0.5966 T12: 0.0951
REMARK 3 T13: -0.2925 T23: 0.2223
REMARK 3 L TENSOR
REMARK 3 L11: 0.0658 L22: 0.0931
REMARK 3 L33: 0.0206 L12: -0.0450
REMARK 3 L13: 0.0119 L23: -0.0422
REMARK 3 S TENSOR
REMARK 3 S11: -0.0209 S12: -0.0720 S13: -0.0234
REMARK 3 S21: 0.0379 S22: 0.0372 S23: 0.0410
REMARK 3 S31: 0.0556 S32: 0.0243 S33: 0.0209
REMARK 3 TLS GROUP : 70
REMARK 3 SELECTION: CHAIN 'P' AND (RESSEQ 6052:6077)
REMARK 3 ORIGIN FOR THE GROUP (A): 1.1524 -11.1373 38.5307
REMARK 3 T TENSOR
REMARK 3 T11: 0.2335 T22: 0.2923
REMARK 3 T33: 0.2351 T12: -0.0051
REMARK 3 T13: 0.0004 T23: 0.0300
REMARK 3 L TENSOR
REMARK 3 L11: 0.0481 L22: 0.1352
REMARK 3 L33: 0.0024 L12: -0.0275
REMARK 3 L13: 0.0235 L23: -0.0036
REMARK 3 S TENSOR
REMARK 3 S11: 0.0550 S12: -0.2853 S13: -0.1832
REMARK 3 S21: -0.1005 S22: 0.0467 S23: 0.1063
REMARK 3 S31: 0.0314 S32: -0.0906 S33: 0.0001
REMARK 3 TLS GROUP : 71
REMARK 3 SELECTION: CHAIN 'P' AND (RESSEQ 6078:6133)
REMARK 3 ORIGIN FOR THE GROUP (A): -6.1815 -23.7774 35.4055
REMARK 3 T TENSOR
REMARK 3 T11: 0.4829 T22: 0.5291
REMARK 3 T33: 0.4575 T12: -0.1276
REMARK 3 T13: -0.0707 T23: 0.0350
REMARK 3 L TENSOR
REMARK 3 L11: 0.0077 L22: 0.0032
REMARK 3 L33: 0.0074 L12: 0.0083
REMARK 3 L13: -0.0030 L23: -0.0078
REMARK 3 S TENSOR
REMARK 3 S11: 0.1937 S12: -0.0048 S13: -0.2064
REMARK 3 S21: 0.1811 S22: -0.1945 S23: 0.2247
REMARK 3 S31: 0.3428 S32: -0.3178 S33: 0.0000
REMARK 3 TLS GROUP : 72
REMARK 3 SELECTION: CHAIN 'P' AND (RESSEQ 6134:6142)
REMARK 3 ORIGIN FOR THE GROUP (A): 3.2558 -13.9064 43.1316
REMARK 3 T TENSOR
REMARK 3 T11: 0.2474 T22: 0.4322
REMARK 3 T33: 0.2436 T12: -0.0208
REMARK 3 T13: -0.0461 T23: 0.0399
REMARK 3 L TENSOR
REMARK 3 L11: 0.0491 L22: 0.1230
REMARK 3 L33: 0.0232 L12: -0.0121
REMARK 3 L13: -0.0305 L23: 0.0022
REMARK 3 S TENSOR
REMARK 3 S11: -0.0332 S12: -0.0615 S13: -0.1455
REMARK 3 S21: 0.0597 S22: 0.1125 S23: -0.2910
REMARK 3 S31: 0.1126 S32: 0.0724 S33: 0.0034
REMARK 3 TLS GROUP : 73
REMARK 3 SELECTION: CHAIN 'P' AND (RESSEQ 6143:6160)
REMARK 3 ORIGIN FOR THE GROUP (A): 8.0581 -6.6426 33.1633
REMARK 3 T TENSOR
REMARK 3 T11: 0.2078 T22: 0.2121
REMARK 3 T33: 0.2245 T12: -0.0061
REMARK 3 T13: -0.0049 T23: -0.0073
REMARK 3 L TENSOR
REMARK 3 L11: 0.0305 L22: 0.0647
REMARK 3 L33: 0.0183 L12: -0.0093
REMARK 3 L13: -0.0201 L23: -0.0349
REMARK 3 S TENSOR
REMARK 3 S11: 0.1350 S12: -0.0868 S13: -0.0167
REMARK 3 S21: -0.1751 S22: -0.0685 S23: -0.0774
REMARK 3 S31: 0.0566 S32: 0.1012 S33: 0.0014
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 4F7U COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 30-MAY-12.
REMARK 100 THE DEPOSITION ID IS D_1000072564.
REMARK 200
REMARK 200 EXPERIMENTAL DETAILS
REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION
REMARK 200 DATE OF DATA COLLECTION : 20-OCT-11
REMARK 200 TEMPERATURE (KELVIN) : 100
REMARK 200 PH : 7
REMARK 200 NUMBER OF CRYSTALS USED : 1
REMARK 200
REMARK 200 SYNCHROTRON (Y/N) : Y
REMARK 200 RADIATION SOURCE : ESRF
REMARK 200 BEAMLINE : ID14-4
REMARK 200 X-RAY GENERATOR MODEL : NULL
REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M
REMARK 200 WAVELENGTH OR RANGE (A) : 0.9393
REMARK 200 MONOCHROMATOR : XXX
REMARK 200 OPTICS : NULL
REMARK 200
REMARK 200 DETECTOR TYPE : CCD
REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 315R
REMARK 200 INTENSITY-INTEGRATION SOFTWARE : XDS
REMARK 200 DATA SCALING SOFTWARE : XDS
REMARK 200
REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 88058
REMARK 200 RESOLUTION RANGE HIGH (A) : 1.900
REMARK 200 RESOLUTION RANGE LOW (A) : 49.600
REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL
REMARK 200
REMARK 200 OVERALL.
REMARK 200 COMPLETENESS FOR RANGE (%) : 96.2
REMARK 200 DATA REDUNDANCY : 2.690
REMARK 200 R MERGE (I) : NULL
REMARK 200 R SYM (I) : NULL
REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : NULL
REMARK 200
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.90
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.01
REMARK 200 COMPLETENESS FOR SHELL (%) : 96.2
REMARK 200 DATA REDUNDANCY IN SHELL : 2.71
REMARK 200 R MERGE FOR SHELL (I) : NULL
REMARK 200 R SYM FOR SHELL (I) : 0.58200
REMARK 200 <I/SIGMA(I)> 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: 4F77
REMARK 200
REMARK 200 REMARK: NULL
REMARK 280
REMARK 280 CRYSTAL
REMARK 280 SOLVENT CONTENT, VS (%): 40.70
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.07
REMARK 280
REMARK 280 CRYSTALLIZATION CONDITIONS: 15% JEFFAMINE ED-2003 TITRATED TO PH
REMARK 280 7, 10% ETHANOL, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293K
REMARK 290
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 1 2 1
REMARK 290
REMARK 290 SYMOP SYMMETRY
REMARK 290 NNNMMM OPERATOR
REMARK 290 1555 X,Y,Z
REMARK 290 2555 -X,Y,-Z
REMARK 290 3555 X+1/2,Y+1/2,Z
REMARK 290 4555 -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 0.00000
REMARK 290 SMTRY1 3 1.000000 0.000000 0.000000 90.36000
REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 32.64900
REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 90.36000
REMARK 290 SMTRY2 4 0.000000 1.000000 0.000000 32.64900
REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000
REMARK 290
REMARK 290 REMARK: NULL
REMARK 300
REMARK 300 BIOMOLECULE: 1, 2
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: HEXAMERIC
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: HEXAMERIC
REMARK 350 SOFTWARE USED: PISA
REMARK 350 TOTAL BURIED SURFACE AREA: 10330 ANGSTROM**2
REMARK 350 SURFACE AREA OF THE COMPLEX: 21880 ANGSTROM**2
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -49.0 KCAL/MOL
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, E, F, G, P
REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000
REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000
REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000
REMARK 350
REMARK 350 BIOMOLECULE: 2
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: HEXAMERIC
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: HEXAMERIC
REMARK 350 SOFTWARE USED: PISA
REMARK 350 TOTAL BURIED SURFACE AREA: 9980 ANGSTROM**2
REMARK 350 SURFACE AREA OF THE COMPLEX: 22430 ANGSTROM**2
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -52.0 KCAL/MOL
REMARK 350 APPLY THE FOLLOWING TO CHAINS: C, D, H, I, J, Q
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 VAL A 1083
REMARK 465 GLU A 1084
REMARK 465 PRO A 1085
REMARK 465 LYS A 1086
REMARK 465 VAL A 1087
REMARK 465 LYS A 1088
REMARK 465 SER A 1089
REMARK 465 LYS A 1090
REMARK 465 LYS A 1091
REMARK 465 ARG A 1092
REMARK 465 GLU A 1093
REMARK 465 ALA A 1094
REMARK 465 VAL A 1095
REMARK 465 ALA A 1096
REMARK 465 GLY A 1097
REMARK 465 ARG A 1098
REMARK 465 GLY A 1099
REMARK 465 ARG A 1100
REMARK 465 GLY A 1101
REMARK 465 ARG A 1102
REMARK 465 GLY A 1103
REMARK 465 ARG A 1104
REMARK 465 GLY A 1105
REMARK 465 ARG A 1106
REMARK 465 GLY A 1107
REMARK 465 ARG A 1108
REMARK 465 GLY A 1109
REMARK 465 ARG A 1110
REMARK 465 GLY A 1111
REMARK 465 ARG A 1112
REMARK 465 GLY A 1113
REMARK 465 ARG A 1114
REMARK 465 GLY A 1115
REMARK 465 GLY A 1116
REMARK 465 PRO A 1117
REMARK 465 ARG A 1118
REMARK 465 ARG A 1119
REMARK 465 MET B 2001
REMARK 465 SER B 2002
REMARK 465 LEU B 2003
REMARK 465 LEU B 2004
REMARK 465 ASN B 2005
REMARK 465 LYS B 2006
REMARK 465 PRO B 2007
REMARK 465 LYS B 2008
REMARK 465 SER B 2009
REMARK 465 GLU B 2010
REMARK 465 MET B 2011
REMARK 465 THR B 2012
REMARK 465 PRO B 2013
REMARK 465 GLU B 2014
REMARK 465 GLU B 2015
REMARK 465 LEU B 2016
REMARK 465 GLN B 2017
REMARK 465 LYS B 2018
REMARK 465 ARG B 2019
REMARK 465 GLU B 2020
REMARK 465 GLU B 2021
REMARK 465 VAL B 2077
REMARK 465 PRO B 2078
REMARK 465 LYS B 2079
REMARK 465 SER B 2080
REMARK 465 GLY B 2081
REMARK 465 LYS B 2082
REMARK 465 GLY B 2083
REMARK 465 LYS B 2084
REMARK 465 LYS B 2085
REMARK 465 LYS B 2086
REMARK 465 SER B 2087
REMARK 465 LYS B 2088
REMARK 465 PRO B 2089
REMARK 465 ILE B 2115
REMARK 465 ALA B 2116
REMARK 465 GLY B 2117
REMARK 465 LYS B 2118
REMARK 465 MET C 1001
REMARK 465 VAL C 1083
REMARK 465 GLU C 1084
REMARK 465 PRO C 1085
REMARK 465 LYS C 1086
REMARK 465 VAL C 1087
REMARK 465 LYS C 1088
REMARK 465 SER C 1089
REMARK 465 LYS C 1090
REMARK 465 LYS C 1091
REMARK 465 ARG C 1092
REMARK 465 GLU C 1093
REMARK 465 ALA C 1094
REMARK 465 VAL C 1095
REMARK 465 ALA C 1096
REMARK 465 GLY C 1097
REMARK 465 ARG C 1098
REMARK 465 GLY C 1099
REMARK 465 ARG C 1100
REMARK 465 GLY C 1101
REMARK 465 ARG C 1102
REMARK 465 GLY C 1103
REMARK 465 ARG C 1104
REMARK 465 GLY C 1105
REMARK 465 ARG C 1106
REMARK 465 GLY C 1107
REMARK 465 ARG C 1108
REMARK 465 GLY C 1109
REMARK 465 ARG C 1110
REMARK 465 GLY C 1111
REMARK 465 ARG C 1112
REMARK 465 GLY C 1113
REMARK 465 ARG C 1114
REMARK 465 GLY C 1115
REMARK 465 GLY C 1116
REMARK 465 PRO C 1117
REMARK 465 ARG C 1118
REMARK 465 ARG C 1119
REMARK 465 MET D 2001
REMARK 465 SER D 2002
REMARK 465 LEU D 2003
REMARK 465 LEU D 2004
REMARK 465 ASN D 2005
REMARK 465 LYS D 2006
REMARK 465 PRO D 2007
REMARK 465 LYS D 2008
REMARK 465 SER D 2009
REMARK 465 GLU D 2010
REMARK 465 MET D 2011
REMARK 465 THR D 2012
REMARK 465 PRO D 2013
REMARK 465 GLU D 2014
REMARK 465 GLU D 2015
REMARK 465 VAL D 2077
REMARK 465 PRO D 2078
REMARK 465 LYS D 2079
REMARK 465 SER D 2080
REMARK 465 GLY D 2081
REMARK 465 LYS D 2082
REMARK 465 GLY D 2083
REMARK 465 LYS D 2084
REMARK 465 LYS D 2085
REMARK 465 LYS D 2086
REMARK 465 SER D 2087
REMARK 465 LYS D 2088
REMARK 465 PRO D 2089
REMARK 465 LEU D 2114
REMARK 465 ILE D 2115
REMARK 465 ALA D 2116
REMARK 465 GLY D 2117
REMARK 465 LYS D 2118
REMARK 465 MET E 3001
REMARK 465 ALA E 3002
REMARK 465 TYR E 3003
REMARK 465 ARG E 3004
REMARK 465 GLY E 3005
REMARK 465 GLN E 3006
REMARK 465 GLY E 3007
REMARK 465 GLN E 3008
REMARK 465 LYS E 3009
REMARK 465 VAL E 3010
REMARK 465 GLN E 3011
REMARK 465 LYS E 3012
REMARK 465 SER E 3091
REMARK 465 ASN E 3092
REMARK 465 MET H 3001
REMARK 465 ALA H 3002
REMARK 465 TYR H 3003
REMARK 465 ARG H 3004
REMARK 465 GLY H 3005
REMARK 465 GLN H 3006
REMARK 465 GLY H 3007
REMARK 465 GLN H 3008
REMARK 465 LYS H 3009
REMARK 465 VAL H 3010
REMARK 465 GLN H 3011
REMARK 465 LYS H 3012
REMARK 465 VAL H 3013
REMARK 465 ASN H 3092
REMARK 465 MET F 4001
REMARK 465 SER F 4002
REMARK 465 LEU F 4003
REMARK 465 GLU F 4077
REMARK 465 GLU F 4078
REMARK 465 GLU F 4079
REMARK 465 GLU F 4080
REMARK 465 ASP F 4081
REMARK 465 GLY F 4082
REMARK 465 GLU F 4083
REMARK 465 MET F 4084
REMARK 465 ARG F 4085
REMARK 465 GLU F 4086
REMARK 465 MET I 4001
REMARK 465 SER I 4002
REMARK 465 GLU I 4077
REMARK 465 GLU I 4078
REMARK 465 GLU I 4079
REMARK 465 GLU I 4080
REMARK 465 ASP I 4081
REMARK 465 GLY I 4082
REMARK 465 GLU I 4083
REMARK 465 MET I 4084
REMARK 465 ARG I 4085
REMARK 465 GLU I 4086
REMARK 465 MET G 5001
REMARK 465 SER G 5002
REMARK 465 LYS G 5003
REMARK 465 ALA G 5004
REMARK 465 HIS G 5005
REMARK 465 PRO G 5006
REMARK 465 ARG G 5075
REMARK 465 VAL G 5076
REMARK 465 MET J 5001
REMARK 465 SER J 5002
REMARK 465 LYS J 5003
REMARK 465 ALA J 5004
REMARK 465 HIS J 5005
REMARK 465 PRO J 5006
REMARK 465 PRO J 5007
REMARK 465 ARG J 5075
REMARK 465 VAL J 5076
REMARK 465 ASP Q 6125
REMARK 465 VAL Q 6126
REMARK 465 ASP Q 6127
REMARK 465 GLU Q 6128
REMARK 465 GLN Q 6129
REMARK 465 PHE Q 6130
REMARK 465 HIS Q 6163
REMARK 465 HIS Q 6164
REMARK 465 HIS Q 6165
REMARK 465 GLY P 6124
REMARK 465 ASP P 6125
REMARK 465 VAL P 6126
REMARK 465 ASP P 6127
REMARK 465 GLU P 6128
REMARK 465 GLN P 6129
REMARK 465 PHE P 6130
REMARK 465 GLY P 6131
REMARK 465 HIS P 6161
REMARK 465 HIS P 6162
REMARK 465 HIS P 6163
REMARK 465 HIS P 6164
REMARK 465 HIS P 6165
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT
REMARK 500
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.
REMARK 500
REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE
REMARK 500 OD1 ASN G 5039 O HOH G 5113 1.95
REMARK 500 OD1 ASN I 4006 O HOH I 4117 1.98
REMARK 500 OD2 ASP P 6142 O HOH P 6244 2.01
REMARK 500 NH2 ARG D 2055 O HOH D 2221 2.08
REMARK 500 O GLU J 5008 NZ LYS J 5011 2.08
REMARK 500 O HOH F 4118 O HOH F 4124 2.12
REMARK 500 NE2 GLN Q 6157 O HOH Q 6213 2.15
REMARK 500 O HOH A 1230 O HOH A 1237 2.16
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: CLOSE CONTACTS
REMARK 500
REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC
REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15
REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A
REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375
REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE
REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS.
REMARK 500
REMARK 500 DISTANCE CUTOFF:
REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS
REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS
REMARK 500
REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE
REMARK 500 OE2 GLU C 1051 NH1 ARG D 2055 4556 1.96
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: COVALENT BOND ANGLES
REMARK 500
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 STANDARD TABLE:
REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)
REMARK 500
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996
REMARK 500
REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3
REMARK 500 ARG D2102 NE - CZ - NH2 ANGL. DEV. = -3.2 DEGREES
REMARK 500 PRO Q6069 C - N - CA ANGL. DEV. = 9.6 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 HIS A1012 -0.92 79.06
REMARK 500 ARG A1066 -64.50 -92.21
REMARK 500 ILE B2107 -62.78 -97.54
REMARK 500 HIS C1012 -5.64 79.01
REMARK 500 CYS D2063 18.83 59.57
REMARK 500 ILE D2107 -64.77 -95.68
REMARK 500 HIS Q6012 -154.54 -84.85
REMARK 500 LEU Q6015 -60.77 -94.89
REMARK 500 VAL Q6086 -75.39 -108.01
REMARK 500 VAL P6086 -61.87 -109.03
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS
REMARK 500
REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH
REMARK 500 CIS AND TRANS CONFORMATION. CIS BONDS, IF ANY, ARE LISTED
REMARK 500 ON CISPEP RECORDS. TRANS IS DEFINED AS 180 +/- 30 AND
REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES.
REMARK 500 MODEL OMEGA
REMARK 500 ASN Q 6068 PRO Q 6069 129.25
REMARK 500 PRO Q 6069 ARG Q 6070 -149.86
REMARK 500
REMARK 500 REMARK: NULL
REMARK 610
REMARK 610 MISSING HETEROATOM
REMARK 610 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER;
REMARK 610 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;
REMARK 610 I=INSERTION CODE):
REMARK 610 M RES C SSEQI
REMARK 610 P6G H 3101
REMARK 800
REMARK 800 SITE
REMARK 800 SITE_IDENTIFIER: AC1
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE P6G H 3101
REMARK 999
REMARK 999 SEQUENCE
REMARK 999 THE SEQUENCE FOR CHAIN P AND Q (PICLN) MATCHES TO THE SEQEUNCE OF
REMARK 999 GENBANK ACCESSION NO AAF21126. THE MISMATCH TO UNP ACCESS A1ZAW5 AT
REMARK 999 POSITION 6 IS DUE TO POLYMORPHISM.
DBREF 4F7U A 1001 1119 UNP P62315 SMD1_MOUSE 1 119
DBREF 4F7U B 2001 2118 UNP P62317 SMD2_MOUSE 1 118
DBREF 4F7U C 1001 1119 UNP P62315 SMD1_MOUSE 1 119
DBREF 4F7U D 2001 2118 UNP P62317 SMD2_MOUSE 1 118
DBREF 4F7U E 3001 3092 UNP P62305 RUXE_MOUSE 1 92
DBREF 4F7U H 3001 3092 UNP P62305 RUXE_MOUSE 1 92
DBREF 4F7U F 4001 4086 UNP P62321 RUXF_XENLA 1 86
DBREF 4F7U I 4001 4086 UNP P62321 RUXF_XENLA 1 86
DBREF 4F7U G 5001 5076 UNP P62309 RUXG_MOUSE 1 76
DBREF 4F7U J 5001 5076 UNP P62309 RUXG_MOUSE 1 76
DBREF 4F7U Q 6001 6125 UNP A1ZAW5 ICLN_DROME 1 89
DBREF 4F7U Q 6126 6160 UNP A1ZAW5 ICLN_DROME 126 160
DBREF 4F7U P 6001 6125 UNP A1ZAW5 ICLN_DROME 1 89
DBREF 4F7U P 6126 6160 UNP A1ZAW5 ICLN_DROME 126 160
SEQADV 4F7U HIS Q 6006 UNP A1ZAW5 ARG 6 SEE REMARK 999
SEQADV 4F7U ALA Q 6144 UNP A1ZAW5 HIS 144 ENGINEERED MUTATION
SEQADV 4F7U HIS Q 6161 UNP A1ZAW5 EXPRESSION TAG
SEQADV 4F7U HIS Q 6162 UNP A1ZAW5 EXPRESSION TAG
SEQADV 4F7U HIS Q 6163 UNP A1ZAW5 EXPRESSION TAG
SEQADV 4F7U HIS Q 6164 UNP A1ZAW5 EXPRESSION TAG
SEQADV 4F7U HIS Q 6165 UNP A1ZAW5 EXPRESSION TAG
SEQADV 4F7U HIS P 6006 UNP A1ZAW5 ARG 6 SEE REMARK 999
SEQADV 4F7U ALA P 6144 UNP A1ZAW5 HIS 144 ENGINEERED MUTATION
SEQADV 4F7U HIS P 6161 UNP A1ZAW5 EXPRESSION TAG
SEQADV 4F7U HIS P 6162 UNP A1ZAW5 EXPRESSION TAG
SEQADV 4F7U HIS P 6163 UNP A1ZAW5 EXPRESSION TAG
SEQADV 4F7U HIS P 6164 UNP A1ZAW5 EXPRESSION TAG
SEQADV 4F7U HIS P 6165 UNP A1ZAW5 EXPRESSION TAG
SEQRES 1 A 119 MET LYS LEU VAL ARG PHE LEU MET LYS LEU SER HIS GLU
SEQRES 2 A 119 THR VAL THR ILE GLU LEU LYS ASN GLY THR GLN VAL HIS
SEQRES 3 A 119 GLY THR ILE THR GLY VAL ASP VAL SER MET ASN THR HIS
SEQRES 4 A 119 LEU LYS ALA VAL LYS MET THR LEU LYS ASN ARG GLU PRO
SEQRES 5 A 119 VAL GLN LEU GLU THR LEU SER ILE ARG GLY ASN ASN ILE
SEQRES 6 A 119 ARG TYR PHE ILE LEU PRO ASP SER LEU PRO LEU ASP THR
SEQRES 7 A 119 LEU LEU VAL ASP VAL GLU PRO LYS VAL LYS SER LYS LYS
SEQRES 8 A 119 ARG GLU ALA VAL ALA GLY ARG GLY ARG GLY ARG GLY ARG
SEQRES 9 A 119 GLY ARG GLY ARG GLY ARG GLY ARG GLY ARG GLY GLY PRO
SEQRES 10 A 119 ARG ARG
SEQRES 1 B 118 MET SER LEU LEU ASN LYS PRO LYS SER GLU MET THR PRO
SEQRES 2 B 118 GLU GLU LEU GLN LYS ARG GLU GLU GLU GLU PHE ASN THR
SEQRES 3 B 118 GLY PRO LEU SER VAL LEU THR GLN SER VAL LYS ASN ASN
SEQRES 4 B 118 THR GLN VAL LEU ILE ASN CYS ARG ASN ASN LYS LYS LEU
SEQRES 5 B 118 LEU GLY ARG VAL LYS ALA PHE ASP ARG HIS CYS ASN MET
SEQRES 6 B 118 VAL LEU GLU ASN VAL LYS GLU MET TRP THR GLU VAL PRO
SEQRES 7 B 118 LYS SER GLY LYS GLY LYS LYS LYS SER LYS PRO VAL ASN
SEQRES 8 B 118 LYS ASP ARG TYR ILE SER LYS MET PHE LEU ARG GLY ASP
SEQRES 9 B 118 SER VAL ILE VAL VAL LEU ARG ASN PRO LEU ILE ALA GLY
SEQRES 10 B 118 LYS
SEQRES 1 C 119 MET LYS LEU VAL ARG PHE LEU MET LYS LEU SER HIS GLU
SEQRES 2 C 119 THR VAL THR ILE GLU LEU LYS ASN GLY THR GLN VAL HIS
SEQRES 3 C 119 GLY THR ILE THR GLY VAL ASP VAL SER MET ASN THR HIS
SEQRES 4 C 119 LEU LYS ALA VAL LYS MET THR LEU LYS ASN ARG GLU PRO
SEQRES 5 C 119 VAL GLN LEU GLU THR LEU SER ILE ARG GLY ASN ASN ILE
SEQRES 6 C 119 ARG TYR PHE ILE LEU PRO ASP SER LEU PRO LEU ASP THR
SEQRES 7 C 119 LEU LEU VAL ASP VAL GLU PRO LYS VAL LYS SER LYS LYS
SEQRES 8 C 119 ARG GLU ALA VAL ALA GLY ARG GLY ARG GLY ARG GLY ARG
SEQRES 9 C 119 GLY ARG GLY ARG GLY ARG GLY ARG GLY ARG GLY GLY PRO
SEQRES 10 C 119 ARG ARG
SEQRES 1 D 118 MET SER LEU LEU ASN LYS PRO LYS SER GLU MET THR PRO
SEQRES 2 D 118 GLU GLU LEU GLN LYS ARG GLU GLU GLU GLU PHE ASN THR
SEQRES 3 D 118 GLY PRO LEU SER VAL LEU THR GLN SER VAL LYS ASN ASN
SEQRES 4 D 118 THR GLN VAL LEU ILE ASN CYS ARG ASN ASN LYS LYS LEU
SEQRES 5 D 118 LEU GLY ARG VAL LYS ALA PHE ASP ARG HIS CYS ASN MET
SEQRES 6 D 118 VAL LEU GLU ASN VAL LYS GLU MET TRP THR GLU VAL PRO
SEQRES 7 D 118 LYS SER GLY LYS GLY LYS LYS LYS SER LYS PRO VAL ASN
SEQRES 8 D 118 LYS ASP ARG TYR ILE SER LYS MET PHE LEU ARG GLY ASP
SEQRES 9 D 118 SER VAL ILE VAL VAL LEU ARG ASN PRO LEU ILE ALA GLY
SEQRES 10 D 118 LYS
SEQRES 1 E 92 MET ALA TYR ARG GLY GLN GLY GLN LYS VAL GLN LYS VAL
SEQRES 2 E 92 MET VAL GLN PRO ILE ASN LEU ILE PHE ARG TYR LEU GLN
SEQRES 3 E 92 ASN ARG SER ARG ILE GLN VAL TRP LEU TYR GLU GLN VAL
SEQRES 4 E 92 ASN MET ARG ILE GLU GLY CYS ILE ILE GLY PHE ASP GLU
SEQRES 5 E 92 TYR MET ASN LEU VAL LEU ASP ASP ALA GLU GLU ILE HIS
SEQRES 6 E 92 SER LYS THR LYS SER ARG LYS GLN LEU GLY ARG ILE MET
SEQRES 7 E 92 LEU LYS GLY ASP ASN ILE THR LEU LEU GLN SER VAL SER
SEQRES 8 E 92 ASN
SEQRES 1 H 92 MET ALA TYR ARG GLY GLN GLY GLN LYS VAL GLN LYS VAL
SEQRES 2 H 92 MET VAL GLN PRO ILE ASN LEU ILE PHE ARG TYR LEU GLN
SEQRES 3 H 92 ASN ARG SER ARG ILE GLN VAL TRP LEU TYR GLU GLN VAL
SEQRES 4 H 92 ASN MET ARG ILE GLU GLY CYS ILE ILE GLY PHE ASP GLU
SEQRES 5 H 92 TYR MET ASN LEU VAL LEU ASP ASP ALA GLU GLU ILE HIS
SEQRES 6 H 92 SER LYS THR LYS SER ARG LYS GLN LEU GLY ARG ILE MET
SEQRES 7 H 92 LEU LYS GLY ASP ASN ILE THR LEU LEU GLN SER VAL SER
SEQRES 8 H 92 ASN
SEQRES 1 F 86 MET SER LEU PRO LEU ASN PRO LYS PRO PHE LEU ASN GLY
SEQRES 2 F 86 LEU THR GLY LYS PRO VAL MET VAL LYS LEU LYS TRP GLY
SEQRES 3 F 86 MET GLU TYR LYS GLY TYR LEU VAL SER VAL ASP GLY TYR
SEQRES 4 F 86 MET ASN MET GLN LEU ALA ASN THR GLU GLU TYR ILE ASP
SEQRES 5 F 86 GLY ALA LEU SER GLY HIS LEU GLY GLU VAL LEU ILE ARG
SEQRES 6 F 86 CYS ASN ASN VAL LEU TYR ILE ARG GLY VAL GLU GLU GLU
SEQRES 7 F 86 GLU GLU ASP GLY GLU MET ARG GLU
SEQRES 1 I 86 MET SER LEU PRO LEU ASN PRO LYS PRO PHE LEU ASN GLY
SEQRES 2 I 86 LEU THR GLY LYS PRO VAL MET VAL LYS LEU LYS TRP GLY
SEQRES 3 I 86 MET GLU TYR LYS GLY TYR LEU VAL SER VAL ASP GLY TYR
SEQRES 4 I 86 MET ASN MET GLN LEU ALA ASN THR GLU GLU TYR ILE ASP
SEQRES 5 I 86 GLY ALA LEU SER GLY HIS LEU GLY GLU VAL LEU ILE ARG
SEQRES 6 I 86 CYS ASN ASN VAL LEU TYR ILE ARG GLY VAL GLU GLU GLU
SEQRES 7 I 86 GLU GLU ASP GLY GLU MET ARG GLU
SEQRES 1 G 76 MET SER LYS ALA HIS PRO PRO GLU LEU LYS LYS PHE MET
SEQRES 2 G 76 ASP LYS LYS LEU SER LEU LYS LEU ASN GLY GLY ARG HIS
SEQRES 3 G 76 VAL GLN GLY ILE LEU ARG GLY PHE ASP PRO PHE MET ASN
SEQRES 4 G 76 LEU VAL ILE ASP GLU CYS VAL GLU MET ALA THR SER GLY
SEQRES 5 G 76 GLN GLN ASN ASN ILE GLY MET VAL VAL ILE ARG GLY ASN
SEQRES 6 G 76 SER ILE ILE MET LEU GLU ALA LEU GLU ARG VAL
SEQRES 1 J 76 MET SER LYS ALA HIS PRO PRO GLU LEU LYS LYS PHE MET
SEQRES 2 J 76 ASP LYS LYS LEU SER LEU LYS LEU ASN GLY GLY ARG HIS
SEQRES 3 J 76 VAL GLN GLY ILE LEU ARG GLY PHE ASP PRO PHE MET ASN
SEQRES 4 J 76 LEU VAL ILE ASP GLU CYS VAL GLU MET ALA THR SER GLY
SEQRES 5 J 76 GLN GLN ASN ASN ILE GLY MET VAL VAL ILE ARG GLY ASN
SEQRES 6 J 76 SER ILE ILE MET LEU GLU ALA LEU GLU ARG VAL
SEQRES 1 Q 129 MET VAL LEU ILE MET HIS VAL SER PRO PRO GLU HIS GLY
SEQRES 2 Q 129 LEU LEU TYR THR ALA ASN ASN ILE LYS LEU LYS LEU GLY
SEQRES 3 Q 129 ASP LYS VAL VAL GLY GLU GLY THR VAL TYR ILE ALA GLN
SEQRES 4 Q 129 ASN THR LEU SER TRP GLN PRO THR GLU LEU ALA GLU GLY
SEQRES 5 Q 129 ILE SER ILE GLU TRP LYS GLN VAL SER LEU HIS GLY ILE
SEQRES 6 Q 129 SER SER ASN PRO ARG LYS CYS ILE TYR PHE MET LEU ASP
SEQRES 7 Q 129 HIS LYS VAL GLU TRP ASN GLY VAL TYR GLY ASP VAL ASP
SEQRES 8 Q 129 GLU GLN PHE GLY GLU VAL THR GLU CYS TRP LEU MET PRO
SEQRES 9 Q 129 GLU ASP ILE ALA THR VAL ASP THR MET TYR SER ALA MET
SEQRES 10 Q 129 THR THR CYS GLN ALA LEU HIS HIS HIS HIS HIS HIS
SEQRES 1 P 129 MET VAL LEU ILE MET HIS VAL SER PRO PRO GLU HIS GLY
SEQRES 2 P 129 LEU LEU TYR THR ALA ASN ASN ILE LYS LEU LYS LEU GLY
SEQRES 3 P 129 ASP LYS VAL VAL GLY GLU GLY THR VAL TYR ILE ALA GLN
SEQRES 4 P 129 ASN THR LEU SER TRP GLN PRO THR GLU LEU ALA GLU GLY
SEQRES 5 P 129 ILE SER ILE GLU TRP LYS GLN VAL SER LEU HIS GLY ILE
SEQRES 6 P 129 SER SER ASN PRO ARG LYS CYS ILE TYR PHE MET LEU ASP
SEQRES 7 P 129 HIS LYS VAL GLU TRP ASN GLY VAL TYR GLY ASP VAL ASP
SEQRES 8 P 129 GLU GLN PHE GLY GLU VAL THR GLU CYS TRP LEU MET PRO
SEQRES 9 P 129 GLU ASP ILE ALA THR VAL ASP THR MET TYR SER ALA MET
SEQRES 10 P 129 THR THR CYS GLN ALA LEU HIS HIS HIS HIS HIS HIS
HET P6G H3101 30
HETNAM P6G HEXAETHYLENE GLYCOL
HETSYN P6G POLYETHYLENE GLYCOL PEG400
FORMUL 13 P6G C12 H26 O7
FORMUL 14 HOH *372(H2 O)
HELIX 1 1 LEU A 1003 MET A 1008 1 6
HELIX 2 2 PRO A 1075 LEU A 1080 1 6
HELIX 3 3 GLU B 2023 GLY B 2027 1 5
HELIX 4 4 LEU B 2029 ASN B 2038 1 10
HELIX 5 5 LEU C 1003 MET C 1008 1 6
HELIX 6 6 PRO C 1075 LEU C 1080 1 6
HELIX 7 7 GLN D 2017 GLY D 2027 1 11
HELIX 8 8 LEU D 2029 ASN D 2039 1 11
HELIX 9 9 GLN E 3016 ARG E 3028 1 13
HELIX 10 10 GLN H 3016 ARG H 3028 1 13
HELIX 11 11 ASN F 4006 THR F 4015 1 10
HELIX 12 12 ASN I 4006 LEU I 4014 1 9
HELIX 13 13 PRO G 5007 MET G 5013 5 7
HELIX 14 14 LEU J 5009 MET J 5013 5 5
HELIX 15 15 ALA Q 6144 HIS Q 6160 1 17
HELIX 16 16 ALA P 6144 HIS P 6160 1 17
SHEET 1 A34 THR A1014 LEU A1019 0
SHEET 2 A34 GLN A1024 VAL A1032 -1 O VAL A1025 N ILE A1017
SHEET 3 A34 THR A1038 THR A1046 -1 O HIS A1039 N GLY A1031
SHEET 4 A34 VAL A1053 ILE A1060 -1 O VAL A1053 N MET A1045
SHEET 5 A34 VAL P6060 SER P6067 -1 O HIS P6063 N SER A1059
SHEET 6 A34 LYS P6071 LEU P6077 -1 O CYS P6072 N SER P6066
SHEET 7 A34 THR P6134 PRO P6140 -1 O CYS P6136 N PHE P6075
SHEET 8 A34 LEU P6014 LEU P6025 -1 N LYS P6022 O MET P6139
SHEET 9 A34 LYS P6028 ALA P6038 -1 O GLY P6033 N ILE P6021
SHEET 10 A34 THR P6041 PRO P6046 -1 O SER P6043 N TYR P6036
SHEET 11 A34 GLY P6052 GLU P6056 -1 O ILE P6055 N LEU P6042
SHEET 12 A34 VAL P6002 MET P6005 -1 N LEU P6003 O SER P6054
SHEET 13 A34 ILE G5067 ALA G5072 1 N LEU G5070 O ILE P6004
SHEET 14 A34 LYS G5016 LEU G5021 -1 N SER G5018 O GLU G5071
SHEET 15 A34 ARG G5025 PHE G5034 -1 O ARG G5025 N LEU G5021
SHEET 16 A34 LEU G5040 MET G5048 -1 O VAL G5041 N ARG G5032
SHEET 17 A34 GLN G5054 ILE G5062 -1 O VAL G5060 N ILE G5042
SHEET 18 A34 ILE E3084 SER E3089 -1 N LEU E3087 O VAL G5061
SHEET 19 A34 ARG E3030 LEU E3035 -1 N TRP E3034 O THR E3085
SHEET 20 A34 MET E3041 PHE E3050 -1 O GLY E3045 N ILE E3031
SHEET 21 A34 LEU E3056 HIS E3065 -1 O ASP E3059 N CYS E3046
SHEET 22 A34 SER E3070 LEU E3079 -1 O LEU E3079 N LEU E3056
SHEET 23 A34 VAL F4069 GLY F4074 -1 O ILE F4072 N MET E3078
SHEET 24 A34 PRO F4018 LEU F4023 -1 N LYS F4022 O LEU F4070
SHEET 25 A34 GLU F4028 VAL F4036 -1 O GLY F4031 N VAL F4019
SHEET 26 A34 MET F4042 ILE F4051 -1 O GLU F4048 N LYS F4030
SHEET 27 A34 ALA F4054 ILE F4064 -1 O ILE F4064 N MET F4042
SHEET 28 A34 VAL B2106 LEU B2110 -1 N VAL B2109 O LEU F4063
SHEET 29 A34 GLN B2041 CYS B2046 -1 N LEU B2043 O LEU B2110
SHEET 30 A34 LYS B2051 PHE B2059 -1 O GLY B2054 N VAL B2042
SHEET 31 A34 MET B2065 TRP B2074 -1 O LYS B2071 N LEU B2053
SHEET 32 A34 LYS B2092 LEU B2101 -1 O LYS B2092 N TRP B2074
SHEET 33 A34 ILE A1065 ILE A1069 -1 N PHE A1068 O PHE B2100
SHEET 34 A34 THR A1014 LEU A1019 -1 N THR A1016 O ILE A1069
SHEET 1 B34 THR C1014 LEU C1019 0
SHEET 2 B34 GLN C1024 VAL C1032 -1 O VAL C1025 N ILE C1017
SHEET 3 B34 THR C1038 THR C1046 -1 O THR C1046 N GLN C1024
SHEET 4 B34 VAL C1053 ILE C1060 -1 O LEU C1055 N VAL C1043
SHEET 5 B34 VAL Q6060 SER Q6067 -1 O HIS Q6063 N SER C1059
SHEET 6 B34 LYS Q6071 LEU Q6077 -1 O TYR Q6074 N GLY Q6064
SHEET 7 B34 THR Q6134 PRO Q6140 -1 O LEU Q6138 N ILE Q6073
SHEET 8 B34 LEU Q6014 LEU Q6025 -1 N LYS Q6024 O TRP Q6137
SHEET 9 B34 VAL Q6029 ALA Q6038 -1 O ILE Q6037 N LEU Q6015
SHEET 10 B34 THR Q6041 PRO Q6046 -1 O SER Q6043 N TYR Q6036
SHEET 11 B34 GLY Q6052 GLU Q6056 -1 O ILE Q6055 N LEU Q6042
SHEET 12 B34 VAL Q6002 MET Q6005 -1 N LEU Q6003 O SER Q6054
SHEET 13 B34 ILE J5067 ALA J5072 1 N LEU J5070 O ILE Q6004
SHEET 14 B34 LYS J5016 LEU J5021 -1 N SER J5018 O GLU J5071
SHEET 15 B34 ARG J5025 PHE J5034 -1 O GLY J5029 N LEU J5017
SHEET 16 B34 ASN J5039 MET J5048 -1 O ASP J5043 N ILE J5030
SHEET 17 B34 GLN J5054 ARG J5063 -1 O ILE J5062 N LEU J5040
SHEET 18 B34 ILE H3084 SER H3089 -1 N LEU H3087 O VAL J5061
SHEET 19 B34 ARG H3030 LEU H3035 -1 N GLN H3032 O GLN H3088
SHEET 20 B34 MET H3041 PHE H3050 -1 O ILE H3043 N VAL H3033
SHEET 21 B34 LEU H3056 HIS H3065 -1 O ILE H3064 N ARG H3042
SHEET 22 B34 SER H3070 LEU H3079 -1 O SER H3070 N HIS H3065
SHEET 23 B34 VAL I4069 GLY I4074 -1 O ILE I4072 N MET H3078
SHEET 24 B34 PRO I4018 LEU I4023 -1 N LYS I4022 O LEU I4070
SHEET 25 B34 GLU I4028 VAL I4036 -1 O TYR I4029 N VAL I4021
SHEET 26 B34 MET I4042 ILE I4051 -1 O TYR I4050 N GLU I4028
SHEET 27 B34 ALA I4054 ILE I4064 -1 O SER I4056 N GLU I4049
SHEET 28 B34 VAL D2106 ARG D2111 -1 N VAL D2109 O LEU I4063
SHEET 29 B34 VAL D2042 CYS D2046 -1 N LEU D2043 O LEU D2110
SHEET 30 B34 LYS D2050 PHE D2059 -1 O LYS D2050 N CYS D2046
SHEET 31 B34 MET D2065 TRP D2074 -1 O VAL D2066 N LYS D2057
SHEET 32 B34 LYS D2092 LEU D2101 -1 O ARG D2094 N GLU D2072
SHEET 33 B34 ILE C1065 ILE C1069 -1 N PHE C1068 O PHE D2100
SHEET 34 B34 THR C1014 LEU C1019 -1 N THR C1016 O ILE C1069
CISPEP 1 ASN D 2112 PRO D 2113 0 -7.53
CISPEP 2 LEU I 4003 PRO I 4004 0 -12.46
CISPEP 3 ASN P 6068 PRO P 6069 0 -5.14
CISPEP 4 ASN P 6068 PRO P 6069 0 -5.75
SITE 1 AC1 7 THR F4015 GLY F4016 LYS F4017 PHE H3050
SITE 2 AC1 7 ASP H3051 GLU H3052 ASN I4006
CRYST1 180.720 65.298 99.346 90.00 92.47 90.00 C 1 2 1 8
ORIGX1 1.000000 0.000000 0.000000 0.00000
ORIGX2 0.000000 1.000000 0.000000 0.00000
ORIGX3 0.000000 0.000000 1.000000 0.00000
SCALE1 0.005533 0.000000 0.000239 0.00000
SCALE2 0.000000 0.015314 0.000000 0.00000
SCALE3 0.000000 0.000000 0.010075 0.00000
(ATOM LINES ARE NOT SHOWN.)
END
