HEADER ACETYLCHOLINE-BINDING PROTEIN/AGONIST 17-OCT-11 3U8L
TITLE CRYSTAL STRUCTURE OF THE ACETYLCHOLINE BINDING PROTEIN (ACHBP) FROM
TITLE 2 LYMNAEA STAGNALIS IN COMPLEX WITH NS3570 (1-(5-PHENYLPYRIDIN-3-YL)-1,
TITLE 3 4-DIAZEPANE)
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: ACETYLCHOLINE-BINDING PROTEIN;
COMPND 3 CHAIN: A, B, C, D, E, F, G, H, I, J;
COMPND 4 SYNONYM: ACH-BINDING PROTEIN, ACHBP;
COMPND 5 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: LYMNAEA STAGNALIS;
SOURCE 3 ORGANISM_COMMON: GREAT POND SNAIL;
SOURCE 4 ORGANISM_TAXID: 6523;
SOURCE 5 EXPRESSION_SYSTEM: SPODOPTERA FRUGIPERDA;
SOURCE 6 EXPRESSION_SYSTEM_TAXID: 7108;
SOURCE 7 EXPRESSION_SYSTEM_STRAIN: SF9;
SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PFASTBAC I
KEYWDS LYMNAEA STAGNALIS, AGONIST, LIGAND-BINDIG DOMAIN, ACETYLCHOLINE,
KEYWDS 2 ACETYLCHOLINE-BINDING PROTEIN, ACETYLCHOLINE-BINDING PROTEIN-AGONIST
KEYWDS 3 COMPLEX
EXPDTA X-RAY DIFFRACTION
AUTHOR L.A.H.ROHDE,P.K.AHRING,M.L.JENSEN,E.O.NIELSEN,D.PETERS,C.HELGSTRAND,
AUTHOR 2 C.KRINTEL,K.HARPSOE,M.GAJHEDE,J.S.KASTRUP,T.BALLE
REVDAT 4 13-SEP-23 3U8L 1 REMARK
REVDAT 3 07-MAR-18 3U8L 1 REMARK
REVDAT 2 18-SEP-13 3U8L 1 JRNL
REVDAT 1 14-DEC-11 3U8L 0
JRNL AUTH L.A.ROHDE,P.K.AHRING,M.L.JENSEN,E.NIELSEN,D.PETERS,
JRNL AUTH 2 C.HELGSTRAND,C.KRINTEL,K.HARPSE,M.GAJHEDE,J.S.KASTRUP,
JRNL AUTH 3 T.BALLE
JRNL TITL INTERSUBUNIT BRIDGE FORMATION GOVERNS AGONIST EFFICACY AT
JRNL TITL 2 NICOTINIC ACETYLCHOLINE ALPHA 4 BETA 2 RECEPTORS: UNIQUE
JRNL TITL 3 ROLE OF HALOGEN BONDING REVEALED.
JRNL REF J.BIOL.CHEM. V. 287 4248 2012
JRNL REFN ISSN 0021-9258
JRNL PMID 22170047
JRNL DOI 10.1074/JBC.M111.292243
REMARK 2
REMARK 2 RESOLUTION. 2.32 ANGSTROMS.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : PHENIX (PHENIX.REFINE: 1.6.4_486)
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 : MLHL
REMARK 3
REMARK 3 DATA USED IN REFINEMENT.
REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.32
REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 42.35
REMARK 3 MIN(FOBS/SIGMA_FOBS) : 0.000
REMARK 3 COMPLETENESS FOR RANGE (%) : 99.9
REMARK 3 NUMBER OF REFLECTIONS : 88355
REMARK 3
REMARK 3 FIT TO DATA USED IN REFINEMENT.
REMARK 3 R VALUE (WORKING + TEST SET) : 0.193
REMARK 3 R VALUE (WORKING SET) : 0.191
REMARK 3 FREE R VALUE : 0.244
REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.010
REMARK 3 FREE R VALUE TEST SET COUNT : 4595
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 42.3528 - 7.1974 0.99 2974 150 0.2082 0.2231
REMARK 3 2 7.1974 - 5.7172 1.00 2931 161 0.2296 0.2322
REMARK 3 3 5.7172 - 4.9958 1.00 2960 136 0.1839 0.2429
REMARK 3 4 4.9958 - 4.5396 1.00 2916 156 0.1531 0.1984
REMARK 3 5 4.5396 - 4.2146 1.00 2934 155 0.1453 0.2038
REMARK 3 6 4.2146 - 3.9663 1.00 2906 157 0.1578 0.2132
REMARK 3 7 3.9663 - 3.7678 1.00 2911 169 0.1723 0.2178
REMARK 3 8 3.7678 - 3.6039 1.00 2877 172 0.1712 0.2233
REMARK 3 9 3.6039 - 3.4652 1.00 2905 166 0.1675 0.2261
REMARK 3 10 3.4652 - 3.3457 1.00 2883 156 0.1751 0.2284
REMARK 3 11 3.3457 - 3.2411 1.00 2939 127 0.1873 0.2424
REMARK 3 12 3.2411 - 3.1485 1.00 2928 158 0.1937 0.2437
REMARK 3 13 3.1485 - 3.0656 1.00 2875 159 0.2009 0.2679
REMARK 3 14 3.0656 - 2.9908 1.00 2897 155 0.2021 0.2644
REMARK 3 15 2.9908 - 2.9229 1.00 2911 155 0.1930 0.2390
REMARK 3 16 2.9229 - 2.8607 1.00 2887 145 0.1904 0.2535
REMARK 3 17 2.8607 - 2.8035 1.00 2872 157 0.2065 0.2928
REMARK 3 18 2.8035 - 2.7506 1.00 2903 158 0.2032 0.2362
REMARK 3 19 2.7506 - 2.7015 1.00 2907 161 0.1932 0.2748
REMARK 3 20 2.7015 - 2.6557 1.00 2868 154 0.2034 0.2660
REMARK 3 21 2.6557 - 2.6128 1.00 2908 157 0.2127 0.2596
REMARK 3 22 2.6128 - 2.5726 1.00 2908 159 0.2127 0.3110
REMARK 3 23 2.5726 - 2.5348 1.00 2861 158 0.2094 0.2855
REMARK 3 24 2.5348 - 2.4991 1.00 2905 137 0.2146 0.2956
REMARK 3 25 2.4991 - 2.4653 1.00 2877 157 0.2303 0.2841
REMARK 3 26 2.4653 - 2.4333 1.00 2922 138 0.2283 0.2808
REMARK 3 27 2.4333 - 2.4029 1.00 2893 147 0.2267 0.3010
REMARK 3 28 2.4029 - 2.3740 1.00 2894 162 0.2300 0.2898
REMARK 3 29 2.3740 - 2.3464 1.00 2898 151 0.2348 0.2986
REMARK 3 30 2.3464 - 2.3200 1.00 2880 122 0.2373 0.3040
REMARK 3
REMARK 3 BULK SOLVENT MODELLING.
REMARK 3 METHOD USED : FLAT BULK SOLVENT MODEL
REMARK 3 SOLVENT RADIUS : 1.20
REMARK 3 SHRINKAGE RADIUS : 0.95
REMARK 3 K_SOL : 0.36
REMARK 3 B_SOL : 21.02
REMARK 3
REMARK 3 ERROR ESTIMATES.
REMARK 3 COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED) : 0.300
REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 22.970
REMARK 3
REMARK 3 B VALUES.
REMARK 3 FROM WILSON PLOT (A**2) : 24.20
REMARK 3 MEAN B VALUE (OVERALL, A**2) : 29.40
REMARK 3 OVERALL ANISOTROPIC B VALUE.
REMARK 3 B11 (A**2) : 8.10340
REMARK 3 B22 (A**2) : -6.16110
REMARK 3 B33 (A**2) : -1.94220
REMARK 3 B12 (A**2) : 0.00000
REMARK 3 B13 (A**2) : -1.45820
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 : 0.007 16874
REMARK 3 ANGLE : 1.061 22980
REMARK 3 CHIRALITY : 0.070 2584
REMARK 3 PLANARITY : 0.005 2960
REMARK 3 DIHEDRAL : 14.466 6242
REMARK 3
REMARK 3 TLS DETAILS
REMARK 3 NUMBER OF TLS GROUPS : 198
REMARK 3 TLS GROUP : 1
REMARK 3 SELECTION: CHAIN A AND RESID 1:11
REMARK 3 ORIGIN FOR THE GROUP (A): 17.6847 41.7722 12.0740
REMARK 3 T TENSOR
REMARK 3 T11: 0.1234 T22: 0.2520
REMARK 3 T33: 0.2958 T12: -0.0365
REMARK 3 T13: -0.0199 T23: 0.1013
REMARK 3 L TENSOR
REMARK 3 L11: 0.9705 L22: 1.1677
REMARK 3 L33: 5.0837 L12: -0.2804
REMARK 3 L13: -0.5655 L23: -0.9074
REMARK 3 S TENSOR
REMARK 3 S11: -0.2713 S12: 0.0242 S13: 0.2786
REMARK 3 S21: 0.0657 S22: -0.1482 S23: -0.1342
REMARK 3 S31: -1.6032 S32: 0.6827 S33: -0.0450
REMARK 3 TLS GROUP : 2
REMARK 3 SELECTION: CHAIN B AND RESID 1:11
REMARK 3 ORIGIN FOR THE GROUP (A): -1.3556 44.0697 27.1338
REMARK 3 T TENSOR
REMARK 3 T11: 0.2229 T22: 0.2081
REMARK 3 T33: 0.3288 T12: 0.0153
REMARK 3 T13: 0.0064 T23: 0.0690
REMARK 3 L TENSOR
REMARK 3 L11: 0.2559 L22: 0.8061
REMARK 3 L33: 0.6522 L12: 0.0164
REMARK 3 L13: -0.3164 L23: -0.0954
REMARK 3 S TENSOR
REMARK 3 S11: -0.0547 S12: 0.6788 S13: 1.0200
REMARK 3 S21: -0.2205 S22: -0.0960 S23: 0.3087
REMARK 3 S31: -0.3402 S32: 0.3600 S33: 0.0005
REMARK 3 TLS GROUP : 3
REMARK 3 SELECTION: CHAIN C AND RESID 1:11
REMARK 3 ORIGIN FOR THE GROUP (A): 7.0728 48.3453 49.1805
REMARK 3 T TENSOR
REMARK 3 T11: 0.2471 T22: 0.1783
REMARK 3 T33: 0.3121 T12: -0.0292
REMARK 3 T13: -0.0656 T23: 0.0129
REMARK 3 L TENSOR
REMARK 3 L11: 0.5972 L22: 1.2263
REMARK 3 L33: 0.3071 L12: 0.1192
REMARK 3 L13: 0.2593 L23: -0.3156
REMARK 3 S TENSOR
REMARK 3 S11: -0.4034 S12: 0.1345 S13: 0.0192
REMARK 3 S21: -0.2726 S22: 0.2322 S23: 0.2500
REMARK 3 S31: -0.3058 S32: -0.1832 S33: -0.0000
REMARK 3 TLS GROUP : 4
REMARK 3 SELECTION: CHAIN D AND RESID 1:11
REMARK 3 ORIGIN FOR THE GROUP (A): 31.3045 48.7734 47.6565
REMARK 3 T TENSOR
REMARK 3 T11: 0.2712 T22: 0.1785
REMARK 3 T33: 0.2470 T12: -0.0544
REMARK 3 T13: -0.0095 T23: 0.0411
REMARK 3 L TENSOR
REMARK 3 L11: 0.6740 L22: 0.6135
REMARK 3 L33: 0.7666 L12: 0.1719
REMARK 3 L13: -0.4035 L23: -0.2361
REMARK 3 S TENSOR
REMARK 3 S11: -0.2333 S12: -0.1565 S13: 0.1990
REMARK 3 S21: 0.0640 S22: -0.2673 S23: 0.3308
REMARK 3 S31: -0.9713 S32: -0.1176 S33: -0.0035
REMARK 3 TLS GROUP : 5
REMARK 3 SELECTION: CHAIN E AND RESID 1:11
REMARK 3 ORIGIN FOR THE GROUP (A): 37.9102 44.6469 24.9965
REMARK 3 T TENSOR
REMARK 3 T11: 0.2928 T22: 0.0888
REMARK 3 T33: 0.1927 T12: -0.0423
REMARK 3 T13: -0.0202 T23: 0.0422
REMARK 3 L TENSOR
REMARK 3 L11: 1.7424 L22: 0.6220
REMARK 3 L33: 1.2317 L12: -0.5371
REMARK 3 L13: -0.4712 L23: -0.0405
REMARK 3 S TENSOR
REMARK 3 S11: 0.2519 S12: -0.2708 S13: 0.5281
REMARK 3 S21: 0.0837 S22: -0.0576 S23: -0.2141
REMARK 3 S31: -0.2329 S32: 0.2775 S33: 0.0143
REMARK 3 TLS GROUP : 6
REMARK 3 SELECTION: CHAIN F AND RESID 1:11
REMARK 3 ORIGIN FOR THE GROUP (A): 22.1100 57.7225 50.4584
REMARK 3 T TENSOR
REMARK 3 T11: 0.3153 T22: 0.2221
REMARK 3 T33: 0.2064 T12: -0.0132
REMARK 3 T13: 0.0474 T23: 0.0488
REMARK 3 L TENSOR
REMARK 3 L11: 0.5317 L22: 0.9671
REMARK 3 L33: 1.0555 L12: 0.2760
REMARK 3 L13: 0.6169 L23: 0.6294
REMARK 3 S TENSOR
REMARK 3 S11: 0.2668 S12: 0.4296 S13: 0.1239
REMARK 3 S21: 0.8562 S22: -0.3048 S23: 0.1398
REMARK 3 S31: 1.2205 S32: 0.4657 S33: 0.0176
REMARK 3 TLS GROUP : 7
REMARK 3 SELECTION: CHAIN G AND RESID 1:11
REMARK 3 ORIGIN FOR THE GROUP (A): 0.2379 55.6321 40.6978
REMARK 3 T TENSOR
REMARK 3 T11: 0.2363 T22: 0.1420
REMARK 3 T33: 0.2282 T12: 0.0034
REMARK 3 T13: -0.0018 T23: 0.0564
REMARK 3 L TENSOR
REMARK 3 L11: 0.3495 L22: 0.6007
REMARK 3 L33: 0.8264 L12: -0.2433
REMARK 3 L13: 0.0614 L23: -0.0737
REMARK 3 S TENSOR
REMARK 3 S11: -0.1478 S12: -0.4805 S13: -0.4170
REMARK 3 S21: 0.4019 S22: 0.0887 S23: -0.1579
REMARK 3 S31: -0.5491 S32: 0.3491 S33: 0.0035
REMARK 3 TLS GROUP : 8
REMARK 3 SELECTION: CHAIN H AND RESID 1:11
REMARK 3 ORIGIN FOR THE GROUP (A): 3.5230 51.4411 16.9208
REMARK 3 T TENSOR
REMARK 3 T11: 0.2756 T22: 0.1898
REMARK 3 T33: 0.3537 T12: -0.0408
REMARK 3 T13: -0.0082 T23: 0.0219
REMARK 3 L TENSOR
REMARK 3 L11: 0.5519 L22: 0.8283
REMARK 3 L33: 0.3227 L12: 0.0105
REMARK 3 L13: -0.3354 L23: -0.0405
REMARK 3 S TENSOR
REMARK 3 S11: 0.1807 S12: -0.0050 S13: -0.7960
REMARK 3 S21: -0.1518 S22: -0.0640 S23: 0.0592
REMARK 3 S31: 0.5650 S32: -0.2598 S33: 0.0002
REMARK 3 TLS GROUP : 9
REMARK 3 SELECTION: CHAIN I AND RESID 1:11
REMARK 3 ORIGIN FOR THE GROUP (A): 27.3590 51.0521 12.1536
REMARK 3 T TENSOR
REMARK 3 T11: 0.2132 T22: 0.1631
REMARK 3 T33: 0.3712 T12: 0.0287
REMARK 3 T13: -0.0463 T23: 0.0416
REMARK 3 L TENSOR
REMARK 3 L11: 0.6268 L22: 1.0512
REMARK 3 L33: 1.0062 L12: 0.1914
REMARK 3 L13: 0.5572 L23: 0.4106
REMARK 3 S TENSOR
REMARK 3 S11: 0.2248 S12: 0.0829 S13: -0.6782
REMARK 3 S21: 0.5138 S22: 0.3934 S23: 0.3512
REMARK 3 S31: 1.2124 S32: -0.0136 S33: -0.0043
REMARK 3 TLS GROUP : 10
REMARK 3 SELECTION: CHAIN J AND RESID 1:11
REMARK 3 ORIGIN FOR THE GROUP (A): 38.7848 54.9594 32.9101
REMARK 3 T TENSOR
REMARK 3 T11: 0.4064 T22: 0.1028
REMARK 3 T33: 0.1552 T12: -0.0029
REMARK 3 T13: 0.0164 T23: 0.0418
REMARK 3 L TENSOR
REMARK 3 L11: 0.3831 L22: 0.9620
REMARK 3 L33: 0.6702 L12: -0.1202
REMARK 3 L13: -0.2051 L23: 0.3662
REMARK 3 S TENSOR
REMARK 3 S11: 0.0037 S12: 0.0593 S13: 0.0105
REMARK 3 S21: 0.0230 S22: 0.1750 S23: -0.2278
REMARK 3 S31: 0.3544 S32: 0.0040 S33: 0.0001
REMARK 3 TLS GROUP : 11
REMARK 3 SELECTION: CHAIN A AND RESID 16:20
REMARK 3 ORIGIN FOR THE GROUP (A): 2.3458 36.4130 22.2499
REMARK 3 T TENSOR
REMARK 3 T11: 0.1174 T22: 0.2943
REMARK 3 T33: 0.1427 T12: 0.0194
REMARK 3 T13: -0.0084 T23: -0.0536
REMARK 3 L TENSOR
REMARK 3 L11: 4.6365 L22: 5.6341
REMARK 3 L33: 0.6414 L12: 4.3721
REMARK 3 L13: 1.1458 L23: 0.3604
REMARK 3 S TENSOR
REMARK 3 S11: 1.1080 S12: -0.9546 S13: -0.7427
REMARK 3 S21: 1.2485 S22: 0.0805 S23: -0.0583
REMARK 3 S31: -0.0457 S32: 0.2707 S33: 0.1261
REMARK 3 TLS GROUP : 12
REMARK 3 SELECTION: CHAIN B AND RESID 16:20
REMARK 3 ORIGIN FOR THE GROUP (A): 2.3169 40.7088 45.4650
REMARK 3 T TENSOR
REMARK 3 T11: 0.1105 T22: 0.2458
REMARK 3 T33: 0.2186 T12: 0.0381
REMARK 3 T13: -0.0665 T23: 0.0143
REMARK 3 L TENSOR
REMARK 3 L11: 0.2895 L22: 0.8611
REMARK 3 L33: 0.1137 L12: -0.4778
REMARK 3 L13: 0.0074 L23: 0.0732
REMARK 3 S TENSOR
REMARK 3 S11: -1.0237 S12: -0.4210 S13: 0.1898
REMARK 3 S21: 0.6297 S22: 0.4867 S23: -0.0720
REMARK 3 S31: -0.1634 S32: 0.6681 S33: -0.0133
REMARK 3 TLS GROUP : 13
REMARK 3 SELECTION: CHAIN C AND RESID 16:20
REMARK 3 ORIGIN FOR THE GROUP (A): 25.0498 42.6400 51.9919
REMARK 3 T TENSOR
REMARK 3 T11: 0.1806 T22: 0.1862
REMARK 3 T33: 0.3399 T12: 0.0628
REMARK 3 T13: -0.0424 T23: 0.0279
REMARK 3 L TENSOR
REMARK 3 L11: 0.8534 L22: 0.3603
REMARK 3 L33: 1.9079 L12: -0.1602
REMARK 3 L13: -0.5673 L23: 0.5374
REMARK 3 S TENSOR
REMARK 3 S11: 0.4236 S12: 0.7622 S13: 1.0445
REMARK 3 S21: -0.2417 S22: 0.2241 S23: -0.4541
REMARK 3 S31: -0.6911 S32: -0.2532 S33: 0.0565
REMARK 3 TLS GROUP : 14
REMARK 3 SELECTION: CHAIN D AND RESID 16:20
REMARK 3 ORIGIN FOR THE GROUP (A): 38.9082 39.3858 33.1269
REMARK 3 T TENSOR
REMARK 3 T11: 0.2539 T22: 0.2021
REMARK 3 T33: 0.0808 T12: -0.0554
REMARK 3 T13: -0.0061 T23: -0.0018
REMARK 3 L TENSOR
REMARK 3 L11: 0.8719 L22: 1.5742
REMARK 3 L33: 0.1693 L12: 1.1423
REMARK 3 L13: 0.0784 L23: 0.2012
REMARK 3 S TENSOR
REMARK 3 S11: -0.1634 S12: -0.3356 S13: -0.7816
REMARK 3 S21: -0.7538 S22: 0.1323 S23: -0.7007
REMARK 3 S31: 0.2004 S32: -0.6601 S33: 0.0064
REMARK 3 TLS GROUP : 15
REMARK 3 SELECTION: CHAIN E AND RESID 16:20
REMARK 3 ORIGIN FOR THE GROUP (A): 24.7810 35.6258 14.6745
REMARK 3 T TENSOR
REMARK 3 T11: 0.1101 T22: 0.1624
REMARK 3 T33: 0.0774 T12: 0.0635
REMARK 3 T13: 0.0145 T23: -0.0227
REMARK 3 L TENSOR
REMARK 3 L11: 1.9876 L22: 3.8635
REMARK 3 L33: 0.5188 L12: 2.1016
REMARK 3 L13: -2.3665 L23: -0.1557
REMARK 3 S TENSOR
REMARK 3 S11: 0.0271 S12: -1.0151 S13: 1.5128
REMARK 3 S21: 0.8189 S22: 0.1435 S23: 0.7654
REMARK 3 S31: -0.3781 S32: 0.3018 S33: 0.2007
REMARK 3 TLS GROUP : 16
REMARK 3 SELECTION: CHAIN F AND RESID 16:20
REMARK 3 ORIGIN FOR THE GROUP (A): 4.9729 63.2185 44.7087
REMARK 3 T TENSOR
REMARK 3 T11: 0.1851 T22: 0.2317
REMARK 3 T33: 0.1116 T12: 0.0376
REMARK 3 T13: -0.1174 T23: 0.0179
REMARK 3 L TENSOR
REMARK 3 L11: 1.8210 L22: 5.0010
REMARK 3 L33: 1.7064 L12: -2.6952
REMARK 3 L13: -1.4123 L23: 2.8217
REMARK 3 S TENSOR
REMARK 3 S11: 0.4379 S12: 1.4269 S13: 0.6068
REMARK 3 S21: -1.2925 S22: -0.0107 S23: 0.0183
REMARK 3 S31: 0.0791 S32: 0.1525 S33: 0.1579
REMARK 3 TLS GROUP : 17
REMARK 3 SELECTION: CHAIN G AND RESID 16:20
REMARK 3 ORIGIN FOR THE GROUP (A): -0.2433 59.0770 21.9194
REMARK 3 T TENSOR
REMARK 3 T11: 0.0940 T22: 0.2090
REMARK 3 T33: 0.1543 T12: 0.0037
REMARK 3 T13: 0.0275 T23: 0.0602
REMARK 3 L TENSOR
REMARK 3 L11: 0.0380 L22: 0.5742
REMARK 3 L33: 1.0418 L12: -0.1295
REMARK 3 L13: -0.0728 L23: 0.6354
REMARK 3 S TENSOR
REMARK 3 S11: -0.2666 S12: -0.2741 S13: 0.1321
REMARK 3 S21: 0.0020 S22: -0.0966 S23: 0.0070
REMARK 3 S31: 1.0847 S32: -0.0769 S33: -0.0027
REMARK 3 TLS GROUP : 18
REMARK 3 SELECTION: CHAIN H AND RESID 16:20
REMARK 3 ORIGIN FOR THE GROUP (A): 20.1898 57.2120 9.7678
REMARK 3 T TENSOR
REMARK 3 T11: 0.1026 T22: 0.1909
REMARK 3 T33: 0.2013 T12: -0.0115
REMARK 3 T13: -0.0314 T23: -0.0039
REMARK 3 L TENSOR
REMARK 3 L11: 0.1835 L22: 0.1402
REMARK 3 L33: 0.1477 L12: -0.0051
REMARK 3 L13: -0.1458 L23: -0.0889
REMARK 3 S TENSOR
REMARK 3 S11: 0.0762 S12: -0.3882 S13: -0.3997
REMARK 3 S21: 0.1166 S22: 0.4972 S23: -0.3263
REMARK 3 S31: -0.5250 S32: 0.1042 S33: 0.0014
REMARK 3 TLS GROUP : 19
REMARK 3 SELECTION: CHAIN I AND RESID 16:20
REMARK 3 ORIGIN FOR THE GROUP (A): 38.0263 60.3254 24.8478
REMARK 3 T TENSOR
REMARK 3 T11: 0.2174 T22: 0.2039
REMARK 3 T33: 0.0479 T12: 0.0071
REMARK 3 T13: -0.0476 T23: 0.0093
REMARK 3 L TENSOR
REMARK 3 L11: 2.4040 L22: 4.3900
REMARK 3 L33: 2.1802 L12: -0.9078
REMARK 3 L13: 0.9469 L23: -0.9166
REMARK 3 S TENSOR
REMARK 3 S11: 0.4473 S12: 0.7420 S13: -0.8892
REMARK 3 S21: 0.0854 S22: 0.5534 S23: 0.9163
REMARK 3 S31: 1.2501 S32: -0.4313 S33: 0.1092
REMARK 3 TLS GROUP : 20
REMARK 3 SELECTION: CHAIN J AND RESID 16:20
REMARK 3 ORIGIN FOR THE GROUP (A): 28.4838 63.8900 46.2299
REMARK 3 T TENSOR
REMARK 3 T11: 0.1894 T22: 0.2017
REMARK 3 T33: 0.1786 T12: 0.0049
REMARK 3 T13: 0.0262 T23: 0.0588
REMARK 3 L TENSOR
REMARK 3 L11: 6.4939 L22: 0.1756
REMARK 3 L33: 0.0870 L12: 0.7146
REMARK 3 L13: -0.5442 L23: -0.1017
REMARK 3 S TENSOR
REMARK 3 S11: -0.4408 S12: 1.2914 S13: -0.4928
REMARK 3 S21: 0.3775 S22: 0.5785 S23: 0.5072
REMARK 3 S31: 0.9550 S32: -0.4645 S33: 0.0261
REMARK 3 TLS GROUP : 21
REMARK 3 SELECTION: CHAIN A AND RESID 26:30
REMARK 3 ORIGIN FOR THE GROUP (A): -2.6563 27.1958 14.7231
REMARK 3 T TENSOR
REMARK 3 T11: 0.0532 T22: 0.2882
REMARK 3 T33: 0.1138 T12: -0.0319
REMARK 3 T13: -0.0847 T23: -0.0431
REMARK 3 L TENSOR
REMARK 3 L11: 4.5289 L22: 5.9482
REMARK 3 L33: 4.9117 L12: 2.3884
REMARK 3 L13: -2.7797 L23: -5.1684
REMARK 3 S TENSOR
REMARK 3 S11: -0.1671 S12: 0.4863 S13: -0.3424
REMARK 3 S21: -0.3315 S22: -1.1241 S23: -0.4930
REMARK 3 S31: -0.1646 S32: 0.7966 S33: -0.4822
REMARK 3 TLS GROUP : 22
REMARK 3 SELECTION: CHAIN B AND RESID 26:30
REMARK 3 ORIGIN FOR THE GROUP (A): -7.5966 33.2213 49.0199
REMARK 3 T TENSOR
REMARK 3 T11: 0.0452 T22: 0.1841
REMARK 3 T33: 0.2268 T12: 0.0289
REMARK 3 T13: 0.0341 T23: -0.0177
REMARK 3 L TENSOR
REMARK 3 L11: 0.8013 L22: 0.5686
REMARK 3 L33: 7.9483 L12: 0.2147
REMARK 3 L13: -1.5546 L23: -1.8289
REMARK 3 S TENSOR
REMARK 3 S11: 0.4092 S12: 0.2985 S13: -0.0968
REMARK 3 S21: -0.3432 S22: -0.0516 S23: 0.5706
REMARK 3 S31: -0.5215 S32: -0.6270 S33: 0.4615
REMARK 3 TLS GROUP : 23
REMARK 3 SELECTION: CHAIN C AND RESID 26:30
REMARK 3 ORIGIN FOR THE GROUP (A): 24.1036 37.1735 63.7043
REMARK 3 T TENSOR
REMARK 3 T11: 0.0981 T22: 0.2222
REMARK 3 T33: 0.1454 T12: 0.0365
REMARK 3 T13: -0.0405 T23: -0.0051
REMARK 3 L TENSOR
REMARK 3 L11: 0.5356 L22: 0.2600
REMARK 3 L33: 8.7963 L12: 0.0599
REMARK 3 L13: -1.8601 L23: -0.9864
REMARK 3 S TENSOR
REMARK 3 S11: 0.5462 S12: 0.2772 S13: -0.4445
REMARK 3 S21: 0.1057 S22: 0.1046 S23: 0.1027
REMARK 3 S31: -1.2238 S32: 0.7029 S33: 0.1458
REMARK 3 TLS GROUP : 24
REMARK 3 SELECTION: CHAIN D AND RESID 26:30
REMARK 3 ORIGIN FOR THE GROUP (A): 48.5955 32.9455 38.7487
REMARK 3 T TENSOR
REMARK 3 T11: 0.0667 T22: 0.2164
REMARK 3 T33: 0.0397 T12: 0.0080
REMARK 3 T13: -0.0869 T23: -0.0614
REMARK 3 L TENSOR
REMARK 3 L11: 2.7193 L22: 7.7126
REMARK 3 L33: 2.8122 L12: 3.1862
REMARK 3 L13: -1.4525 L23: -3.7314
REMARK 3 S TENSOR
REMARK 3 S11: 0.4014 S12: 0.0573 S13: -0.4292
REMARK 3 S21: 0.7134 S22: -0.7648 S23: -0.9380
REMARK 3 S31: -0.2349 S32: -0.1311 S33: -0.1471
REMARK 3 TLS GROUP : 25
REMARK 3 SELECTION: CHAIN E AND RESID 26:30
REMARK 3 ORIGIN FOR THE GROUP (A): 31.8570 26.8243 8.4423
REMARK 3 T TENSOR
REMARK 3 T11: 0.1553 T22: 0.2214
REMARK 3 T33: -0.0227 T12: -0.0207
REMARK 3 T13: 0.0122 T23: -0.0410
REMARK 3 L TENSOR
REMARK 3 L11: 5.2950 L22: 0.9012
REMARK 3 L33: 1.8226 L12: 0.4249
REMARK 3 L13: 2.8262 L23: -0.3083
REMARK 3 S TENSOR
REMARK 3 S11: -0.4498 S12: 0.1526 S13: 0.7983
REMARK 3 S21: -0.0916 S22: 0.2643 S23: 0.0270
REMARK 3 S31: -0.6773 S32: 0.2413 S33: -0.2731
REMARK 3 TLS GROUP : 26
REMARK 3 SELECTION: CHAIN F AND RESID 26:30
REMARK 3 ORIGIN FOR THE GROUP (A): 2.0070 72.4436 53.2258
REMARK 3 T TENSOR
REMARK 3 T11: 0.2250 T22: 0.2799
REMARK 3 T33: 0.1350 T12: -0.0474
REMARK 3 T13: 0.1105 T23: -0.0158
REMARK 3 L TENSOR
REMARK 3 L11: 4.7093 L22: 2.6951
REMARK 3 L33: 2.5292 L12: -0.2968
REMARK 3 L13: 1.8737 L23: -2.0351
REMARK 3 S TENSOR
REMARK 3 S11: -0.2667 S12: -1.3187 S13: -0.3282
REMARK 3 S21: 0.2079 S22: -0.7652 S23: -0.3953
REMARK 3 S31: -0.5965 S32: -0.7576 S33: -0.1876
REMARK 3 TLS GROUP : 27
REMARK 3 SELECTION: CHAIN G AND RESID 26:30
REMARK 3 ORIGIN FOR THE GROUP (A): -10.7360 66.6224 20.8768
REMARK 3 T TENSOR
REMARK 3 T11: -0.3709 T22: 0.2811
REMARK 3 T33: 0.1104 T12: -0.0816
REMARK 3 T13: -0.2647 T23: 0.0254
REMARK 3 L TENSOR
REMARK 3 L11: 1.2648 L22: 0.5246
REMARK 3 L33: 1.5316 L12: 0.5287
REMARK 3 L13: 0.0557 L23: -0.6629
REMARK 3 S TENSOR
REMARK 3 S11: 0.0971 S12: -0.2890 S13: 0.2051
REMARK 3 S21: -0.2210 S22: 0.9521 S23: 0.6211
REMARK 3 S31: 0.4179 S32: -0.5597 S33: 0.4210
REMARK 3 TLS GROUP : 28
REMARK 3 SELECTION: CHAIN H AND RESID 26:30
REMARK 3 ORIGIN FOR THE GROUP (A): 16.4008 62.9159 -1.2125
REMARK 3 T TENSOR
REMARK 3 T11: 0.1946 T22: 0.1763
REMARK 3 T33: 0.1245 T12: -0.0339
REMARK 3 T13: -0.0526 T23: 0.0162
REMARK 3 L TENSOR
REMARK 3 L11: 0.1319 L22: 0.1260
REMARK 3 L33: 0.0916 L12: 0.0082
REMARK 3 L13: -0.0830 L23: 0.0784
REMARK 3 S TENSOR
REMARK 3 S11: 0.2952 S12: 0.6667 S13: -0.1957
REMARK 3 S21: -0.4868 S22: -0.5687 S23: 0.2002
REMARK 3 S31: 0.1558 S32: -0.1747 S33: -0.0020
REMARK 3 TLS GROUP : 29
REMARK 3 SELECTION: CHAIN I AND RESID 26:30
REMARK 3 ORIGIN FOR THE GROUP (A): 46.1164 66.9009 17.3049
REMARK 3 T TENSOR
REMARK 3 T11: 0.1091 T22: 0.1240
REMARK 3 T33: 0.1336 T12: 0.0465
REMARK 3 T13: 0.0216 T23: -0.0243
REMARK 3 L TENSOR
REMARK 3 L11: 0.2142 L22: 0.6889
REMARK 3 L33: 0.1346 L12: -0.3548
REMARK 3 L13: 0.0704 L23: -0.2379
REMARK 3 S TENSOR
REMARK 3 S11: 0.2719 S12: -0.2061 S13: 0.1407
REMARK 3 S21: -1.0085 S22: -0.1526 S23: -0.3851
REMARK 3 S31: 0.0860 S32: 0.1931 S33: 0.0085
REMARK 3 TLS GROUP : 30
REMARK 3 SELECTION: CHAIN J AND RESID 26:30
REMARK 3 ORIGIN FOR THE GROUP (A): 37.1984 72.3833 50.7425
REMARK 3 T TENSOR
REMARK 3 T11: 0.2465 T22: 0.2595
REMARK 3 T33: 0.2000 T12: 0.0325
REMARK 3 T13: -0.0653 T23: -0.0207
REMARK 3 L TENSOR
REMARK 3 L11: 0.0118 L22: 0.0558
REMARK 3 L33: 0.0606 L12: 0.0291
REMARK 3 L13: -0.0212 L23: -0.0523
REMARK 3 S TENSOR
REMARK 3 S11: -0.1370 S12: -0.5546 S13: 0.3004
REMARK 3 S21: -0.2793 S22: -0.2360 S23: -0.6690
REMARK 3 S31: 0.5005 S32: 0.4114 S33: 0.0001
REMARK 3 TLS GROUP : 31
REMARK 3 SELECTION: CHAIN A AND RESID 33:42
REMARK 3 ORIGIN FOR THE GROUP (A): 10.8456 5.9224 21.6411
REMARK 3 T TENSOR
REMARK 3 T11: 0.2378 T22: 0.1520
REMARK 3 T33: 0.2223 T12: -0.0520
REMARK 3 T13: 0.0344 T23: -0.0151
REMARK 3 L TENSOR
REMARK 3 L11: 0.8864 L22: 0.8566
REMARK 3 L33: 0.5662 L12: 0.2906
REMARK 3 L13: -0.5360 L23: 0.3942
REMARK 3 S TENSOR
REMARK 3 S11: -0.3110 S12: 0.1155 S13: -0.0709
REMARK 3 S21: 0.3228 S22: 0.1431 S23: -0.0212
REMARK 3 S31: 0.5701 S32: -0.3313 S33: -0.0006
REMARK 3 TLS GROUP : 32
REMARK 3 SELECTION: CHAIN B AND RESID 33:42
REMARK 3 ORIGIN FOR THE GROUP (A): 0.2431 9.2563 41.7696
REMARK 3 T TENSOR
REMARK 3 T11: 0.1791 T22: 0.1777
REMARK 3 T33: 0.3031 T12: -0.0408
REMARK 3 T13: -0.0326 T23: 0.0765
REMARK 3 L TENSOR
REMARK 3 L11: 0.5796 L22: 0.8452
REMARK 3 L33: 1.0771 L12: 0.7104
REMARK 3 L13: -0.5131 L23: -0.5305
REMARK 3 S TENSOR
REMARK 3 S11: 0.2308 S12: 0.1177 S13: 0.2054
REMARK 3 S21: 0.2464 S22: -0.0399 S23: -0.2275
REMARK 3 S31: -0.1497 S32: -0.1594 S33: 0.0008
REMARK 3 TLS GROUP : 33
REMARK 3 SELECTION: CHAIN C AND RESID 33:42
REMARK 3 ORIGIN FOR THE GROUP (A): 16.1030 12.8357 58.0803
REMARK 3 T TENSOR
REMARK 3 T11: 0.3411 T22: 0.1041
REMARK 3 T33: 0.2354 T12: -0.0462
REMARK 3 T13: 0.0536 T23: 0.0774
REMARK 3 L TENSOR
REMARK 3 L11: 0.3983 L22: 1.3481
REMARK 3 L33: 1.4054 L12: 0.1577
REMARK 3 L13: 0.6899 L23: 0.2178
REMARK 3 S TENSOR
REMARK 3 S11: 0.0287 S12: -0.3196 S13: -0.2199
REMARK 3 S21: -0.5374 S22: -0.4933 S23: -0.0601
REMARK 3 S31: 0.1434 S32: -0.0922 S33: -0.0512
REMARK 3 TLS GROUP : 34
REMARK 3 SELECTION: CHAIN D AND RESID 33:42
REMARK 3 ORIGIN FOR THE GROUP (A): 36.7506 11.5473 48.0736
REMARK 3 T TENSOR
REMARK 3 T11: 0.3600 T22: 0.1765
REMARK 3 T33: 0.1577 T12: 0.0282
REMARK 3 T13: -0.0038 T23: 0.0189
REMARK 3 L TENSOR
REMARK 3 L11: 0.9696 L22: 0.3423
REMARK 3 L33: 1.8055 L12: -0.1133
REMARK 3 L13: -0.9020 L23: -0.4095
REMARK 3 S TENSOR
REMARK 3 S11: -0.5441 S12: 0.1373 S13: 0.3735
REMARK 3 S21: -0.8320 S22: 0.1168 S23: 0.2673
REMARK 3 S31: 0.8103 S32: -0.0315 S33: -0.0113
REMARK 3 TLS GROUP : 35
REMARK 3 SELECTION: CHAIN E AND RESID 33:42
REMARK 3 ORIGIN FOR THE GROUP (A): 33.6453 7.3255 25.6862
REMARK 3 T TENSOR
REMARK 3 T11: 0.1936 T22: 0.1304
REMARK 3 T33: 0.1386 T12: 0.0304
REMARK 3 T13: -0.0057 T23: 0.0409
REMARK 3 L TENSOR
REMARK 3 L11: 0.6614 L22: 0.8006
REMARK 3 L33: 1.0664 L12: -0.3463
REMARK 3 L13: 0.6277 L23: 0.2297
REMARK 3 S TENSOR
REMARK 3 S11: 0.1070 S12: -0.0552 S13: -0.4068
REMARK 3 S21: 0.1446 S22: -0.0579 S23: 0.2462
REMARK 3 S31: 0.1433 S32: -0.2469 S33: -0.0003
REMARK 3 TLS GROUP : 36
REMARK 3 SELECTION: CHAIN F AND RESID 33:42
REMARK 3 ORIGIN FOR THE GROUP (A): 13.6731 93.6765 43.4327
REMARK 3 T TENSOR
REMARK 3 T11: 0.2863 T22: 0.1140
REMARK 3 T33: 0.2359 T12: -0.0316
REMARK 3 T13: -0.0842 T23: -0.0328
REMARK 3 L TENSOR
REMARK 3 L11: 1.0027 L22: 0.5915
REMARK 3 L33: 0.2804 L12: -0.5169
REMARK 3 L13: -0.3032 L23: 0.3814
REMARK 3 S TENSOR
REMARK 3 S11: -0.0001 S12: 0.1417 S13: -0.0888
REMARK 3 S21: -0.1433 S22: 0.2213 S23: 0.3783
REMARK 3 S31: -0.3389 S32: -0.0097 S33: 0.0000
REMARK 3 TLS GROUP : 37
REMARK 3 SELECTION: CHAIN G AND RESID 33:42
REMARK 3 ORIGIN FOR THE GROUP (A): -1.5655 90.4950 26.3775
REMARK 3 T TENSOR
REMARK 3 T11: 0.2171 T22: 0.1141
REMARK 3 T33: 0.2036 T12: -0.0041
REMARK 3 T13: 0.0116 T23: 0.0264
REMARK 3 L TENSOR
REMARK 3 L11: 0.5803 L22: 0.6031
REMARK 3 L33: 0.6571 L12: -0.4065
REMARK 3 L13: 0.6950 L23: -0.3960
REMARK 3 S TENSOR
REMARK 3 S11: 0.1107 S12: -0.1341 S13: 0.2867
REMARK 3 S21: -0.5305 S22: -0.0951 S23: 0.1518
REMARK 3 S31: 0.4713 S32: 0.1440 S33: 0.0001
REMARK 3 TLS GROUP : 38
REMARK 3 SELECTION: CHAIN H AND RESID 33:42
REMARK 3 ORIGIN FOR THE GROUP (A): 10.0190 87.1094 6.6299
REMARK 3 T TENSOR
REMARK 3 T11: 0.0304 T22: 0.2061
REMARK 3 T33: 0.2170 T12: -0.0159
REMARK 3 T13: -0.0235 T23: 0.0080
REMARK 3 L TENSOR
REMARK 3 L11: 0.6947 L22: 0.5566
REMARK 3 L33: 0.7999 L12: -0.0271
REMARK 3 L13: -0.3550 L23: -0.5666
REMARK 3 S TENSOR
REMARK 3 S11: -0.0501 S12: -0.2788 S13: -0.0036
REMARK 3 S21: -0.3697 S22: -0.1734 S23: -0.3694
REMARK 3 S31: 0.5027 S32: 0.1133 S33: -0.0012
REMARK 3 TLS GROUP : 39
REMARK 3 SELECTION: CHAIN I AND RESID 33:42
REMARK 3 ORIGIN FOR THE GROUP (A): 32.5571 88.3154 11.3397
REMARK 3 T TENSOR
REMARK 3 T11: 0.2559 T22: 0.1401
REMARK 3 T33: 0.1008 T12: 0.0126
REMARK 3 T13: -0.0251 T23: -0.0164
REMARK 3 L TENSOR
REMARK 3 L11: 1.4098 L22: 0.8001
REMARK 3 L33: 1.0376 L12: 0.7748
REMARK 3 L13: 0.5621 L23: -0.2508
REMARK 3 S TENSOR
REMARK 3 S11: -0.6094 S12: -0.0984 S13: 0.3354
REMARK 3 S21: 0.2688 S22: 0.3097 S23: 0.2153
REMARK 3 S31: -0.1709 S32: -0.2230 S33: -0.0074
REMARK 3 TLS GROUP : 40
REMARK 3 SELECTION: CHAIN J AND RESID 33:42
REMARK 3 ORIGIN FOR THE GROUP (A): 34.7819 92.3244 33.9934
REMARK 3 T TENSOR
REMARK 3 T11: 0.2684 T22: 0.1415
REMARK 3 T33: 0.1894 T12: -0.0309
REMARK 3 T13: -0.0130 T23: 0.0153
REMARK 3 L TENSOR
REMARK 3 L11: 0.5387 L22: 0.6950
REMARK 3 L33: 1.0417 L12: 0.5039
REMARK 3 L13: -0.3734 L23: 0.1698
REMARK 3 S TENSOR
REMARK 3 S11: 0.0705 S12: -0.1200 S13: 0.1775
REMARK 3 S21: -0.0723 S22: 0.1651 S23: 0.2397
REMARK 3 S31: 0.0236 S32: -0.2389 S33: -0.0006
REMARK 3 TLS GROUP : 41
REMARK 3 SELECTION: CHAIN A AND RESID 43
REMARK 3 ORIGIN FOR THE GROUP (A): 4.4371 -5.1878 29.5037
REMARK 3 T TENSOR
REMARK 3 T11: 1.1372 T22: 0.4125
REMARK 3 T33: 0.5144 T12: -0.3324
REMARK 3 T13: -0.0396 T23: 0.3244
REMARK 3 L TENSOR
REMARK 3 L11: 2.0004 L22: 6.7699
REMARK 3 L33: 4.8923 L12: 4.8342
REMARK 3 L13: 1.1641 L23: 5.2486
REMARK 3 S TENSOR
REMARK 3 S11: -0.1372 S12: -0.2856 S13: -0.4724
REMARK 3 S21: -0.0799 S22: 0.0132 S23: 0.6538
REMARK 3 S31: -0.0414 S32: 0.0763 S33: -0.0223
REMARK 3 TLS GROUP : 42
REMARK 3 SELECTION: CHAIN B AND RESID 43
REMARK 3 ORIGIN FOR THE GROUP (A): 4.1937 -0.8439 52.3139
REMARK 3 T TENSOR
REMARK 3 T11: 0.4027 T22: 0.2984
REMARK 3 T33: 0.4552 T12: -0.1875
REMARK 3 T13: -0.0326 T23: 0.2627
REMARK 3 L TENSOR
REMARK 3 L11: 0.6138 L22: 0.2368
REMARK 3 L33: 0.5260 L12: 0.3314
REMARK 3 L13: -0.1616 L23: 0.0849
REMARK 3 S TENSOR
REMARK 3 S11: 0.2110 S12: 0.0224 S13: -0.3427
REMARK 3 S21: -0.0440 S22: 0.4266 S23: 0.2547
REMARK 3 S31: 0.4162 S32: -0.4738 S33: -0.0033
REMARK 3 TLS GROUP : 43
REMARK 3 SELECTION: CHAIN C AND RESID 43
REMARK 3 ORIGIN FOR THE GROUP (A): 25.5610 1.1397 59.5342
REMARK 3 T TENSOR
REMARK 3 T11: 0.8553 T22: 0.2359
REMARK 3 T33: 0.4859 T12: 0.0390
REMARK 3 T13: 0.2381 T23: 0.0486
REMARK 3 L TENSOR
REMARK 3 L11: 1.2493 L22: 1.9357
REMARK 3 L33: 7.0808 L12: 0.6149
REMARK 3 L13: -0.6214 L23: -2.9214
REMARK 3 S TENSOR
REMARK 3 S11: -0.4778 S12: 0.2896 S13: -0.0878
REMARK 3 S21: 0.4311 S22: 0.0180 S23: 0.0360
REMARK 3 S31: 0.1671 S32: 0.2183 S33: -0.0137
REMARK 3 TLS GROUP : 44
REMARK 3 SELECTION: CHAIN E AND RESID 43
REMARK 3 ORIGIN FOR THE GROUP (A): 26.1377 -5.6021 23.5538
REMARK 3 T TENSOR
REMARK 3 T11: 1.1207 T22: 0.2522
REMARK 3 T33: 1.0506 T12: 0.0158
REMARK 3 T13: 0.6336 T23: 0.1478
REMARK 3 L TENSOR
REMARK 3 L11: 5.3054 L22: 6.2523
REMARK 3 L33: 7.4051 L12: -5.4161
REMARK 3 L13: -1.8594 L23: 4.1064
REMARK 3 S TENSOR
REMARK 3 S11: 0.5272 S12: 0.3246 S13: -0.6795
REMARK 3 S21: -0.5774 S22: 0.9005 S23: -0.4648
REMARK 3 S31: 0.7769 S32: 1.2624 S33: -0.1043
REMARK 3 TLS GROUP : 45
REMARK 3 SELECTION: CHAIN F AND RESID 43
REMARK 3 ORIGIN FOR THE GROUP (A): 5.4523 104.8213 37.2441
REMARK 3 T TENSOR
REMARK 3 T11: 1.4357 T22: 0.3320
REMARK 3 T33: 0.4522 T12: 0.3813
REMARK 3 T13: -0.0753 T23: 0.1110
REMARK 3 L TENSOR
REMARK 3 L11: 2.0000 L22: 4.1017
REMARK 3 L33: 4.4965 L12: -2.2558
REMARK 3 L13: -1.8983 L23: 3.7362
REMARK 3 S TENSOR
REMARK 3 S11: -0.1136 S12: -0.4446 S13: 0.6742
REMARK 3 S21: 0.0746 S22: 0.0751 S23: 0.3324
REMARK 3 S31: -0.0044 S32: -0.0736 S33: -0.0218
REMARK 3 TLS GROUP : 46
REMARK 3 SELECTION: CHAIN G AND RESID 43
REMARK 3 ORIGIN FOR THE GROUP (A): -0.1773 100.5941 15.2614
REMARK 3 T TENSOR
REMARK 3 T11: 0.5172 T22: 0.2781
REMARK 3 T33: 0.1793 T12: 0.0997
REMARK 3 T13: -0.0451 T23: 0.0296
REMARK 3 L TENSOR
REMARK 3 L11: 2.3043 L22: 1.1426
REMARK 3 L33: 0.1669 L12: -1.6231
REMARK 3 L13: -0.6188 L23: 0.4350
REMARK 3 S TENSOR
REMARK 3 S11: 0.3439 S12: 0.0372 S13: 0.5451
REMARK 3 S21: 0.0507 S22: 0.1237 S23: 0.3116
REMARK 3 S31: 0.0594 S32: -0.4939 S33: -0.0054
REMARK 3 TLS GROUP : 47
REMARK 3 SELECTION: CHAIN H AND RESID 43
REMARK 3 ORIGIN FOR THE GROUP (A): 18.7901 98.8394 2.9523
REMARK 3 T TENSOR
REMARK 3 T11: 0.4901 T22: 0.1238
REMARK 3 T33: 0.3898 T12: -0.2034
REMARK 3 T13: -0.2017 T23: 0.0952
REMARK 3 L TENSOR
REMARK 3 L11: 3.9241 L22: 0.8193
REMARK 3 L33: 1.9994 L12: -1.7868
REMARK 3 L13: 0.8018 L23: -0.5788
REMARK 3 S TENSOR
REMARK 3 S11: -0.4124 S12: -0.1516 S13: -0.1366
REMARK 3 S21: -0.8563 S22: -0.3847 S23: 0.0228
REMARK 3 S31: -0.2162 S32: -0.1856 S33: -0.1839
REMARK 3 TLS GROUP : 48
REMARK 3 SELECTION: CHAIN J AND RESID 43
REMARK 3 ORIGIN FOR THE GROUP (A): 28.1018 105.2935 38.0460
REMARK 3 T TENSOR
REMARK 3 T11: 0.5515 T22: 0.2212
REMARK 3 T33: 1.2298 T12: -0.0446
REMARK 3 T13: -0.0759 T23: 0.0708
REMARK 3 L TENSOR
REMARK 3 L11: 3.7795 L22: 5.0634
REMARK 3 L33: 2.1693 L12: 3.5712
REMARK 3 L13: 1.2938 L23: 1.1111
REMARK 3 S TENSOR
REMARK 3 S11: 0.2183 S12: 0.1135 S13: 0.3154
REMARK 3 S21: 0.2756 S22: 0.0983 S23: -0.2342
REMARK 3 S31: -0.6880 S32: 0.4352 S33: -0.0237
REMARK 3 TLS GROUP : 49
REMARK 3 SELECTION: CHAIN A AND RESID 45:49
REMARK 3 ORIGIN FOR THE GROUP (A): 6.5521 3.2306 30.6958
REMARK 3 T TENSOR
REMARK 3 T11: 0.4003 T22: 0.1614
REMARK 3 T33: 0.3833 T12: -0.0491
REMARK 3 T13: 0.0824 T23: 0.0806
REMARK 3 L TENSOR
REMARK 3 L11: 0.1834 L22: 0.1817
REMARK 3 L33: 0.1394 L12: -0.1859
REMARK 3 L13: -0.0007 L23: -0.0836
REMARK 3 S TENSOR
REMARK 3 S11: 0.0657 S12: -0.4605 S13: 1.1408
REMARK 3 S21: 1.1789 S22: -0.3750 S23: 0.1542
REMARK 3 S31: 0.1353 S32: 0.2039 S33: -0.0031
REMARK 3 TLS GROUP : 50
REMARK 3 SELECTION: CHAIN B AND RESID 45:49
REMARK 3 ORIGIN FOR THE GROUP (A): 6.9781 6.7127 49.2817
REMARK 3 T TENSOR
REMARK 3 T11: 0.2563 T22: 0.2040
REMARK 3 T33: 0.4121 T12: -0.0134
REMARK 3 T13: -0.0046 T23: 0.0275
REMARK 3 L TENSOR
REMARK 3 L11: 6.4583 L22: 3.8235
REMARK 3 L33: 4.2823 L12: -4.4518
REMARK 3 L13: 3.9442 L23: -2.9448
REMARK 3 S TENSOR
REMARK 3 S11: 1.0706 S12: 1.3136 S13: 0.0775
REMARK 3 S21: -0.0039 S22: -0.5928 S23: -0.6636
REMARK 3 S31: 0.0978 S32: 0.6484 S33: -0.0186
REMARK 3 TLS GROUP : 51
REMARK 3 SELECTION: CHAIN C AND RESID 45:49
REMARK 3 ORIGIN FOR THE GROUP (A): 24.7504 8.3153 54.6315
REMARK 3 T TENSOR
REMARK 3 T11: 0.2429 T22: 0.1878
REMARK 3 T33: 0.3575 T12: 0.0675
REMARK 3 T13: 0.0344 T23: -0.0636
REMARK 3 L TENSOR
REMARK 3 L11: 1.0506 L22: 0.5214
REMARK 3 L33: 2.3175 L12: -0.2939
REMARK 3 L13: 1.5587 L23: -0.3826
REMARK 3 S TENSOR
REMARK 3 S11: -0.8377 S12: 0.3303 S13: 0.0107
REMARK 3 S21: -0.2655 S22: 0.0933 S23: 0.0300
REMARK 3 S31: -0.8975 S32: 0.4337 S33: -0.0457
REMARK 3 TLS GROUP : 52
REMARK 3 SELECTION: CHAIN D AND RESID 45:49
REMARK 3 ORIGIN FOR THE GROUP (A): 35.4197 5.8678 39.5186
REMARK 3 T TENSOR
REMARK 3 T11: 0.2632 T22: 0.0272
REMARK 3 T33: 0.1745 T12: 0.0437
REMARK 3 T13: 0.0631 T23: 0.0522
REMARK 3 L TENSOR
REMARK 3 L11: 0.8783 L22: 2.8405
REMARK 3 L33: 4.7313 L12: 0.4215
REMARK 3 L13: 0.6896 L23: 3.1076
REMARK 3 S TENSOR
REMARK 3 S11: 0.0675 S12: 0.0423 S13: 0.3111
REMARK 3 S21: -1.1840 S22: -0.2306 S23: -0.3803
REMARK 3 S31: 0.1539 S32: -0.6620 S33: -0.1110
REMARK 3 TLS GROUP : 53
REMARK 3 SELECTION: CHAIN E AND RESID 45:49
REMARK 3 ORIGIN FOR THE GROUP (A): 24.3360 2.7548 24.8687
REMARK 3 T TENSOR
REMARK 3 T11: 0.2780 T22: 0.1434
REMARK 3 T33: 0.2438 T12: -0.0422
REMARK 3 T13: 0.0591 T23: 0.0567
REMARK 3 L TENSOR
REMARK 3 L11: 2.8720 L22: 1.4511
REMARK 3 L33: 0.5288 L12: 1.9301
REMARK 3 L13: 0.5840 L23: 0.5439
REMARK 3 S TENSOR
REMARK 3 S11: 0.4428 S12: -0.6214 S13: 0.2824
REMARK 3 S21: 0.5160 S22: -0.4589 S23: 0.6038
REMARK 3 S31: -0.1956 S32: -0.1066 S33: -0.0158
REMARK 3 TLS GROUP : 54
REMARK 3 SELECTION: CHAIN F AND RESID 45:49
REMARK 3 ORIGIN FOR THE GROUP (A): 7.3205 96.3924 35.6712
REMARK 3 T TENSOR
REMARK 3 T11: 0.3969 T22: 0.1981
REMARK 3 T33: 0.3393 T12: -0.0181
REMARK 3 T13: -0.0841 T23: 0.0868
REMARK 3 L TENSOR
REMARK 3 L11: 1.2906 L22: 1.0900
REMARK 3 L33: 0.6623 L12: -1.1494
REMARK 3 L13: -0.0799 L23: -0.1118
REMARK 3 S TENSOR
REMARK 3 S11: -0.0435 S12: 0.8853 S13: -0.1617
REMARK 3 S21: -0.3520 S22: -0.4545 S23: 0.7679
REMARK 3 S31: -0.0920 S32: 0.2143 S33: -0.0117
REMARK 3 TLS GROUP : 55
REMARK 3 SELECTION: CHAIN G AND RESID 45:49
REMARK 3 ORIGIN FOR THE GROUP (A): 3.2843 93.0679 17.5943
REMARK 3 T TENSOR
REMARK 3 T11: 0.1512 T22: 0.1875
REMARK 3 T33: 0.2587 T12: -0.0203
REMARK 3 T13: 0.0664 T23: 0.0462
REMARK 3 L TENSOR
REMARK 3 L11: 0.6388 L22: 1.1317
REMARK 3 L33: 0.6154 L12: -0.3874
REMARK 3 L13: 0.2204 L23: -0.8374
REMARK 3 S TENSOR
REMARK 3 S11: 0.6222 S12: -0.1497 S13: 0.2427
REMARK 3 S21: 0.0380 S22: -0.7021 S23: -0.1562
REMARK 3 S31: 0.4458 S32: 0.7866 S33: -0.0107
REMARK 3 TLS GROUP : 56
REMARK 3 SELECTION: CHAIN H AND RESID 45:49
REMARK 3 ORIGIN FOR THE GROUP (A): 19.2742 91.6635 7.9245
REMARK 3 T TENSOR
REMARK 3 T11: 0.0529 T22: 0.1568
REMARK 3 T33: 0.3170 T12: 0.0578
REMARK 3 T13: 0.0189 T23: -0.0398
REMARK 3 L TENSOR
REMARK 3 L11: 6.0061 L22: 7.1543
REMARK 3 L33: 1.1932 L12: 5.2308
REMARK 3 L13: -0.6882 L23: 1.1398
REMARK 3 S TENSOR
REMARK 3 S11: -0.0882 S12: -0.7429 S13: 0.1554
REMARK 3 S21: 0.3184 S22: -0.4711 S23: 0.1795
REMARK 3 S31: 0.0506 S32: -0.1000 S33: 0.2125
REMARK 3 TLS GROUP : 57
REMARK 3 SELECTION: CHAIN I AND RESID 45:49
REMARK 3 ORIGIN FOR THE GROUP (A): 33.2405 93.9639 20.0923
REMARK 3 T TENSOR
REMARK 3 T11: 0.2634 T22: 0.1301
REMARK 3 T33: 0.1980 T12: 0.0850
REMARK 3 T13: -0.0350 T23: -0.0489
REMARK 3 L TENSOR
REMARK 3 L11: 5.5073 L22: 3.0021
REMARK 3 L33: 4.1903 L12: 2.7240
REMARK 3 L13: -2.0550 L23: -3.4039
REMARK 3 S TENSOR
REMARK 3 S11: -0.2035 S12: -1.0149 S13: -0.7775
REMARK 3 S21: 0.8570 S22: 0.0464 S23: -0.3542
REMARK 3 S31: -0.6258 S32: 0.1056 S33: -0.4014
REMARK 3 TLS GROUP : 58
REMARK 3 SELECTION: CHAIN J AND RESID 45:49
REMARK 3 ORIGIN FOR THE GROUP (A): 25.9029 96.8642 37.0013
REMARK 3 T TENSOR
REMARK 3 T11: 0.2193 T22: 0.2122
REMARK 3 T33: 0.3253 T12: 0.0896
REMARK 3 T13: -0.0816 T23: -0.0313
REMARK 3 L TENSOR
REMARK 3 L11: 0.1187 L22: 0.8242
REMARK 3 L33: 0.5409 L12: -0.0214
REMARK 3 L13: 0.0346 L23: -0.6774
REMARK 3 S TENSOR
REMARK 3 S11: 0.5043 S12: 0.0054 S13: 0.0911
REMARK 3 S21: -0.3912 S22: -0.2230 S23: 0.5868
REMARK 3 S31: 1.0315 S32: -0.5638 S33: 0.0138
REMARK 3 TLS GROUP : 59
REMARK 3 SELECTION: CHAIN A AND RESID 51:52
REMARK 3 ORIGIN FOR THE GROUP (A): 11.1733 12.0085 20.6462
REMARK 3 T TENSOR
REMARK 3 T11: 0.0911 T22: 0.1424
REMARK 3 T33: 0.2623 T12: -0.0583
REMARK 3 T13: 0.1045 T23: -0.0495
REMARK 3 L TENSOR
REMARK 3 L11: 1.2206 L22: 0.8529
REMARK 3 L33: 0.5695 L12: -0.3541
REMARK 3 L13: 0.2562 L23: 0.5562
REMARK 3 S TENSOR
REMARK 3 S11: 0.2906 S12: -0.0530 S13: 0.0925
REMARK 3 S21: -0.1022 S22: -0.1310 S23: -0.1585
REMARK 3 S31: -0.2810 S32: 0.1892 S33: -0.4369
REMARK 3 TLS GROUP : 60
REMARK 3 SELECTION: CHAIN B AND RESID 51:52
REMARK 3 ORIGIN FOR THE GROUP (A): 0.3271 15.0478 40.1884
REMARK 3 T TENSOR
REMARK 3 T11: 0.4085 T22: 0.2574
REMARK 3 T33: 0.1995 T12: -0.1377
REMARK 3 T13: -0.0608 T23: 0.0115
REMARK 3 L TENSOR
REMARK 3 L11: 0.0818 L22: 1.0423
REMARK 3 L33: 0.9384 L12: 0.2835
REMARK 3 L13: 0.0144 L23: -0.2214
REMARK 3 S TENSOR
REMARK 3 S11: 0.5468 S12: -0.4606 S13: -0.4207
REMARK 3 S21: 0.9417 S22: -0.0517 S23: 0.2086
REMARK 3 S31: -0.7919 S32: 0.1071 S33: 0.0070
REMARK 3 TLS GROUP : 61
REMARK 3 SELECTION: CHAIN C AND RESID 51:52
REMARK 3 ORIGIN FOR THE GROUP (A): 15.4307 18.7519 56.5884
REMARK 3 T TENSOR
REMARK 3 T11: -0.2070 T22: 0.2295
REMARK 3 T33: -0.5960 T12: -0.0667
REMARK 3 T13: 0.5053 T23: 0.0638
REMARK 3 L TENSOR
REMARK 3 L11: 1.6976 L22: 0.3465
REMARK 3 L33: 3.6240 L12: -0.2910
REMARK 3 L13: -0.4254 L23: 0.3435
REMARK 3 S TENSOR
REMARK 3 S11: -0.1934 S12: 0.0476 S13: -0.1743
REMARK 3 S21: 0.2340 S22: 0.1402 S23: 0.2501
REMARK 3 S31: -0.5473 S32: 0.3182 S33: 0.0194
REMARK 3 TLS GROUP : 62
REMARK 3 SELECTION: CHAIN D AND RESID 51:52
REMARK 3 ORIGIN FOR THE GROUP (A): 36.1510 17.6075 47.2270
REMARK 3 T TENSOR
REMARK 3 T11: 0.1424 T22: 0.0930
REMARK 3 T33: 0.1331 T12: -0.0087
REMARK 3 T13: -0.0400 T23: -0.0129
REMARK 3 L TENSOR
REMARK 3 L11: 3.1841 L22: 8.2237
REMARK 3 L33: 9.8046 L12: 0.1245
REMARK 3 L13: -1.9837 L23: -3.3834
REMARK 3 S TENSOR
REMARK 3 S11: -0.2857 S12: -0.2811 S13: 0.2132
REMARK 3 S21: -0.3030 S22: -0.4392 S23: -0.4462
REMARK 3 S31: 0.8009 S32: 0.1992 S33: -0.3264
REMARK 3 TLS GROUP : 63
REMARK 3 SELECTION: CHAIN E AND RESID 51:52
REMARK 3 ORIGIN FOR THE GROUP (A): 33.6381 13.4417 25.0230
REMARK 3 T TENSOR
REMARK 3 T11: 0.1203 T22: 0.0924
REMARK 3 T33: -0.0122 T12: 0.0972
REMARK 3 T13: 0.0259 T23: 0.0548
REMARK 3 L TENSOR
REMARK 3 L11: 2.6331 L22: 2.8489
REMARK 3 L33: 3.0095 L12: 1.7479
REMARK 3 L13: 0.1188 L23: -1.7050
REMARK 3 S TENSOR
REMARK 3 S11: -0.0955 S12: 0.2771 S13: 0.1554
REMARK 3 S21: -0.6492 S22: -0.0480 S23: 0.2304
REMARK 3 S31: 0.4998 S32: 0.3109 S33: -0.1344
REMARK 3 TLS GROUP : 64
REMARK 3 SELECTION: CHAIN F AND RESID 51:52
REMARK 3 ORIGIN FOR THE GROUP (A): 14.2961 87.6236 44.2279
REMARK 3 T TENSOR
REMARK 3 T11: 0.0682 T22: 0.2119
REMARK 3 T33: 0.1567 T12: -0.0301
REMARK 3 T13: -0.0338 T23: 0.0744
REMARK 3 L TENSOR
REMARK 3 L11: 0.4314 L22: 0.2544
REMARK 3 L33: 0.0748 L12: 0.2535
REMARK 3 L13: -0.1758 L23: -0.0769
REMARK 3 S TENSOR
REMARK 3 S11: -0.3954 S12: -0.3111 S13: 0.0837
REMARK 3 S21: 0.2929 S22: 0.5071 S23: 0.1036
REMARK 3 S31: -0.4435 S32: -0.5403 S33: -0.0015
REMARK 3 TLS GROUP : 65
REMARK 3 SELECTION: CHAIN G AND RESID 51:52
REMARK 3 ORIGIN FOR THE GROUP (A): -1.2027 84.5575 27.9146
REMARK 3 T TENSOR
REMARK 3 T11: 0.2705 T22: 0.2077
REMARK 3 T33: 0.2274 T12: -0.0861
REMARK 3 T13: 0.0949 T23: -0.0486
REMARK 3 L TENSOR
REMARK 3 L11: 0.0522 L22: 0.1044
REMARK 3 L33: 0.0797 L12: -0.0231
REMARK 3 L13: -0.0636 L23: 0.0434
REMARK 3 S TENSOR
REMARK 3 S11: 0.4689 S12: -0.2854 S13: 1.1576
REMARK 3 S21: -0.0532 S22: -0.0061 S23: -0.1482
REMARK 3 S31: -0.0795 S32: 0.2323 S33: 0.0023
REMARK 3 TLS GROUP : 66
REMARK 3 SELECTION: CHAIN H AND RESID 51:52
REMARK 3 ORIGIN FOR THE GROUP (A): 9.7859 81.1958 8.2067
REMARK 3 T TENSOR
REMARK 3 T11: 0.0680 T22: 0.4301
REMARK 3 T33: 0.1621 T12: 0.1873
REMARK 3 T13: -0.0635 T23: -0.0179
REMARK 3 L TENSOR
REMARK 3 L11: 1.3811 L22: -0.0005
REMARK 3 L33: 0.7211 L12: 0.0182
REMARK 3 L13: 0.6566 L23: 0.0227
REMARK 3 S TENSOR
REMARK 3 S11: -0.0462 S12: -0.3699 S13: 0.2933
REMARK 3 S21: -0.2496 S22: 0.1296 S23: 0.1493
REMARK 3 S31: 0.1998 S32: 0.0597 S33: 0.2989
REMARK 3 TLS GROUP : 67
REMARK 3 SELECTION: CHAIN I AND RESID 51:52
REMARK 3 ORIGIN FOR THE GROUP (A): 32.1785 82.3297 12.2851
REMARK 3 T TENSOR
REMARK 3 T11: 0.1392 T22: 0.1719
REMARK 3 T33: 0.0140 T12: 0.0483
REMARK 3 T13: -0.0163 T23: -0.0023
REMARK 3 L TENSOR
REMARK 3 L11: 0.8482 L22: 3.3176
REMARK 3 L33: 0.8667 L12: 1.3409
REMARK 3 L13: -0.2130 L23: -1.3263
REMARK 3 S TENSOR
REMARK 3 S11: -0.4592 S12: 0.0314 S13: -0.3809
REMARK 3 S21: 0.2978 S22: -0.2734 S23: -0.7004
REMARK 3 S31: -0.0994 S32: 0.2511 S33: -0.0300
REMARK 3 TLS GROUP : 68
REMARK 3 SELECTION: CHAIN J AND RESID 51:52
REMARK 3 ORIGIN FOR THE GROUP (A): 34.8461 86.2564 34.4859
REMARK 3 T TENSOR
REMARK 3 T11: 0.1612 T22: 0.2530
REMARK 3 T33: 0.0750 T12: -0.0785
REMARK 3 T13: -0.0118 T23: 0.0559
REMARK 3 L TENSOR
REMARK 3 L11: 0.7998 L22: 1.3918
REMARK 3 L33: 0.9906 L12: 0.3418
REMARK 3 L13: 0.0551 L23: 0.0069
REMARK 3 S TENSOR
REMARK 3 S11: 0.1012 S12: 0.2185 S13: 0.5423
REMARK 3 S21: 0.1239 S22: -0.1638 S23: -0.2474
REMARK 3 S31: -0.1929 S32: 0.3770 S33: -0.1295
REMARK 3 TLS GROUP : 69
REMARK 3 SELECTION: CHAIN A AND RESID 56:82
REMARK 3 ORIGIN FOR THE GROUP (A): 10.0602 34.8915 10.8987
REMARK 3 T TENSOR
REMARK 3 T11: 0.1280 T22: 0.1704
REMARK 3 T33: 0.1581 T12: 0.0088
REMARK 3 T13: 0.0119 T23: 0.0306
REMARK 3 L TENSOR
REMARK 3 L11: 2.9605 L22: 1.4404
REMARK 3 L33: 0.7852 L12: 0.6584
REMARK 3 L13: -0.7730 L23: 0.6999
REMARK 3 S TENSOR
REMARK 3 S11: 0.0090 S12: 0.3163 S13: 0.5510
REMARK 3 S21: -0.3258 S22: -0.0184 S23: 0.1530
REMARK 3 S31: -0.1162 S32: -0.1461 S33: -0.0001
REMARK 3 TLS GROUP : 70
REMARK 3 SELECTION: CHAIN B AND RESID 56:82
REMARK 3 ORIGIN FOR THE GROUP (A): -5.9074 38.7953 34.7078
REMARK 3 T TENSOR
REMARK 3 T11: 0.1248 T22: 0.1008
REMARK 3 T33: 0.2475 T12: 0.0238
REMARK 3 T13: -0.0208 T23: 0.0243
REMARK 3 L TENSOR
REMARK 3 L11: 0.8424 L22: 1.3021
REMARK 3 L33: 2.0973 L12: 0.3615
REMARK 3 L13: -0.5293 L23: 0.9229
REMARK 3 S TENSOR
REMARK 3 S11: 0.0368 S12: 0.1713 S13: 0.2537
REMARK 3 S21: -0.2882 S22: -0.0074 S23: 0.6587
REMARK 3 S31: -0.5018 S32: -0.4455 S33: -0.0063
REMARK 3 TLS GROUP : 71
REMARK 3 SELECTION: CHAIN C AND RESID 56:82
REMARK 3 ORIGIN FOR THE GROUP (A): 12.1233 43.4619 56.7930
REMARK 3 T TENSOR
REMARK 3 T11: 0.1408 T22: 0.1255
REMARK 3 T33: 0.1488 T12: 0.0070
REMARK 3 T13: -0.0247 T23: -0.0278
REMARK 3 L TENSOR
REMARK 3 L11: 2.7919 L22: 1.6222
REMARK 3 L33: 1.0879 L12: 1.3934
REMARK 3 L13: 1.0976 L23: -0.1726
REMARK 3 S TENSOR
REMARK 3 S11: 0.0421 S12: -0.4100 S13: 0.4242
REMARK 3 S21: 0.5771 S22: 0.0946 S23: 0.3468
REMARK 3 S31: -0.8631 S32: -0.2707 S33: 0.0184
REMARK 3 TLS GROUP : 72
REMARK 3 SELECTION: CHAIN D AND RESID 56:82
REMARK 3 ORIGIN FOR THE GROUP (A): 39.2565 42.3183 46.4915
REMARK 3 T TENSOR
REMARK 3 T11: 0.1865 T22: 0.1396
REMARK 3 T33: 0.0745 T12: -0.0320
REMARK 3 T13: -0.0068 T23: 0.0072
REMARK 3 L TENSOR
REMARK 3 L11: 1.1877 L22: 1.2025
REMARK 3 L33: 1.0559 L12: -0.4010
REMARK 3 L13: -1.0838 L23: 0.0922
REMARK 3 S TENSOR
REMARK 3 S11: -0.1664 S12: -0.2842 S13: 0.7017
REMARK 3 S21: 0.4248 S22: 0.4371 S23: -0.7213
REMARK 3 S31: -0.0229 S32: 0.4772 S33: 0.0096
REMARK 3 TLS GROUP : 73
REMARK 3 SELECTION: CHAIN E AND RESID 56:82
REMARK 3 ORIGIN FOR THE GROUP (A): 37.9850 36.9108 18.2213
REMARK 3 T TENSOR
REMARK 3 T11: 0.0823 T22: 0.0894
REMARK 3 T33: 0.0800 T12: 0.0062
REMARK 3 T13: 0.0820 T23: -0.0399
REMARK 3 L TENSOR
REMARK 3 L11: 1.1891 L22: 1.2443
REMARK 3 L33: 2.3280 L12: -0.3214
REMARK 3 L13: 1.2652 L23: -0.0030
REMARK 3 S TENSOR
REMARK 3 S11: -0.6522 S12: 0.6106 S13: 0.7032
REMARK 3 S21: -0.5595 S22: 0.3683 S23: -0.2661
REMARK 3 S31: -1.0375 S32: 1.1413 S33: 0.0031
REMARK 3 TLS GROUP : 74
REMARK 3 SELECTION: CHAIN F AND RESID 56:82
REMARK 3 ORIGIN FOR THE GROUP (A): 15.2324 64.5988 53.6513
REMARK 3 T TENSOR
REMARK 3 T11: 0.1490 T22: 0.1349
REMARK 3 T33: 0.0959 T12: -0.0049
REMARK 3 T13: 0.0061 T23: 0.0572
REMARK 3 L TENSOR
REMARK 3 L11: 2.2790 L22: 1.4446
REMARK 3 L33: 0.7346 L12: -0.7957
REMARK 3 L13: -0.0609 L23: 0.9009
REMARK 3 S TENSOR
REMARK 3 S11: -0.0109 S12: -0.3623 S13: -0.3760
REMARK 3 S21: 0.4281 S22: 0.0111 S23: 0.0943
REMARK 3 S31: 0.3791 S32: 0.0453 S33: 0.0096
REMARK 3 TLS GROUP : 75
REMARK 3 SELECTION: CHAIN G AND RESID 56:82
REMARK 3 ORIGIN FOR THE GROUP (A): -5.9230 60.9316 34.3407
REMARK 3 T TENSOR
REMARK 3 T11: 0.0884 T22: 0.1906
REMARK 3 T33: 0.2120 T12: -0.0083
REMARK 3 T13: 0.0347 T23: 0.0476
REMARK 3 L TENSOR
REMARK 3 L11: 0.5339 L22: 1.6833
REMARK 3 L33: 2.0645 L12: 0.1189
REMARK 3 L13: 0.9725 L23: 0.7818
REMARK 3 S TENSOR
REMARK 3 S11: 0.0006 S12: -0.1860 S13: -0.2020
REMARK 3 S21: 0.0358 S22: 0.1070 S23: 0.3444
REMARK 3 S31: 0.2658 S32: -0.5057 S33: 0.0020
REMARK 3 TLS GROUP : 76
REMARK 3 SELECTION: CHAIN H AND RESID 56:82
REMARK 3 ORIGIN FOR THE GROUP (A): 6.5550 56.4686 8.4086
REMARK 3 T TENSOR
REMARK 3 T11: 0.1591 T22: 0.1735
REMARK 3 T33: 0.1750 T12: -0.0469
REMARK 3 T13: -0.0325 T23: -0.0552
REMARK 3 L TENSOR
REMARK 3 L11: 1.9891 L22: 1.9098
REMARK 3 L33: 1.1618 L12: -0.3081
REMARK 3 L13: -0.0325 L23: -1.6078
REMARK 3 S TENSOR
REMARK 3 S11: -0.0272 S12: 0.1528 S13: -0.5303
REMARK 3 S21: -0.4313 S22: 0.0830 S23: 0.2009
REMARK 3 S31: 0.4407 S32: -0.3790 S33: 0.0045
REMARK 3 TLS GROUP : 77
REMARK 3 SELECTION: CHAIN I AND RESID 56:82
REMARK 3 ORIGIN FOR THE GROUP (A): 35.2681 57.6113 11.7001
REMARK 3 T TENSOR
REMARK 3 T11: 0.1652 T22: 0.0316
REMARK 3 T33: -0.3199 T12: 0.0650
REMARK 3 T13: -0.0518 T23: 0.1198
REMARK 3 L TENSOR
REMARK 3 L11: 3.1949 L22: 1.6920
REMARK 3 L33: 2.0180 L12: 0.3276
REMARK 3 L13: 1.8166 L23: -0.6969
REMARK 3 S TENSOR
REMARK 3 S11: -0.0472 S12: 0.7637 S13: -2.6597
REMARK 3 S21: -0.5178 S22: 0.7765 S23: -1.1105
REMARK 3 S31: 0.4019 S32: 0.6701 S33: -0.0082
REMARK 3 TLS GROUP : 78
REMARK 3 SELECTION: CHAIN J AND RESID 56:82
REMARK 3 ORIGIN FOR THE GROUP (A): 40.5598 62.5536 39.6848
REMARK 3 T TENSOR
REMARK 3 T11: 0.0617 T22: 0.1895
REMARK 3 T33: 0.1572 T12: -0.0055
REMARK 3 T13: -0.0293 T23: 0.0132
REMARK 3 L TENSOR
REMARK 3 L11: 0.3807 L22: 1.6915
REMARK 3 L33: 2.3217 L12: 0.2824
REMARK 3 L13: -0.8122 L23: -0.3432
REMARK 3 S TENSOR
REMARK 3 S11: 0.0052 S12: -0.0692 S13: -0.3162
REMARK 3 S21: -0.2174 S22: -0.0179 S23: -0.4010
REMARK 3 S31: 0.9558 S32: 0.9106 S33: 0.0317
REMARK 3 TLS GROUP : 79
REMARK 3 SELECTION: CHAIN A AND RESID 84:100
REMARK 3 ORIGIN FOR THE GROUP (A): 7.7368 18.1530 26.7119
REMARK 3 T TENSOR
REMARK 3 T11: 0.1037 T22: 0.1772
REMARK 3 T33: 0.1494 T12: -0.0335
REMARK 3 T13: 0.0120 T23: 0.0033
REMARK 3 L TENSOR
REMARK 3 L11: -0.0579 L22: 0.7424
REMARK 3 L33: 0.6385 L12: 0.1038
REMARK 3 L13: -0.1139 L23: -0.6076
REMARK 3 S TENSOR
REMARK 3 S11: 0.1807 S12: 0.0364 S13: 0.2009
REMARK 3 S21: 0.1807 S22: -0.0956 S23: 0.1003
REMARK 3 S31: -0.2792 S32: 0.0855 S33: 0.0000
REMARK 3 TLS GROUP : 80
REMARK 3 SELECTION: CHAIN B AND RESID 84:100
REMARK 3 ORIGIN FOR THE GROUP (A): 5.7078 21.4275 44.5299
REMARK 3 T TENSOR
REMARK 3 T11: 0.1797 T22: 0.1566
REMARK 3 T33: 0.2637 T12: -0.0523
REMARK 3 T13: -0.0001 T23: 0.0044
REMARK 3 L TENSOR
REMARK 3 L11: 0.1873 L22: 0.2820
REMARK 3 L33: 1.0610 L12: -0.1969
REMARK 3 L13: 0.6069 L23: -0.5849
REMARK 3 S TENSOR
REMARK 3 S11: -0.0469 S12: -0.0219 S13: -0.0169
REMARK 3 S21: -0.1548 S22: 0.0914 S23: -0.1832
REMARK 3 S31: 0.1297 S32: 0.1713 S33: -0.0001
REMARK 3 TLS GROUP : 81
REMARK 3 SELECTION: CHAIN C AND RESID 84:100
REMARK 3 ORIGIN FOR THE GROUP (A): 22.2570 23.3537 51.9468
REMARK 3 T TENSOR
REMARK 3 T11: 0.1346 T22: 0.1900
REMARK 3 T33: 0.1660 T12: 0.0022
REMARK 3 T13: 0.0041 T23: 0.0417
REMARK 3 L TENSOR
REMARK 3 L11: 0.6712 L22: 0.1577
REMARK 3 L33: 0.0990 L12: -0.5364
REMARK 3 L13: -0.3491 L23: 0.2908
REMARK 3 S TENSOR
REMARK 3 S11: -0.0509 S12: 0.3328 S13: 0.0621
REMARK 3 S21: -0.1255 S22: -0.2107 S23: 0.0730
REMARK 3 S31: -0.0521 S32: 0.1454 S33: -0.0020
REMARK 3 TLS GROUP : 82
REMARK 3 SELECTION: CHAIN D AND RESID 84:100
REMARK 3 ORIGIN FOR THE GROUP (A): 34.6563 21.1833 38.7256
REMARK 3 T TENSOR
REMARK 3 T11: 0.1890 T22: 0.1302
REMARK 3 T33: 0.1626 T12: -0.0114
REMARK 3 T13: 0.0035 T23: -0.0193
REMARK 3 L TENSOR
REMARK 3 L11: -0.0371 L22: 0.9299
REMARK 3 L33: 0.5711 L12: -0.0681
REMARK 3 L13: -0.0412 L23: 0.0589
REMARK 3 S TENSOR
REMARK 3 S11: -0.0367 S12: 0.2738 S13: 0.0455
REMARK 3 S21: 0.0404 S22: -0.0388 S23: 0.2058
REMARK 3 S31: -0.1777 S32: -0.3239 S33: -0.0000
REMARK 3 TLS GROUP : 83
REMARK 3 SELECTION: CHAIN E AND RESID 84:100
REMARK 3 ORIGIN FOR THE GROUP (A): 25.6481 18.0422 23.1421
REMARK 3 T TENSOR
REMARK 3 T11: 0.0934 T22: 0.1173
REMARK 3 T33: 0.1092 T12: -0.0165
REMARK 3 T13: 0.0333 T23: -0.0108
REMARK 3 L TENSOR
REMARK 3 L11: 0.4583 L22: 0.7887
REMARK 3 L33: 0.3922 L12: 0.4596
REMARK 3 L13: 0.1854 L23: -0.4560
REMARK 3 S TENSOR
REMARK 3 S11: 0.0346 S12: -0.0520 S13: 0.0803
REMARK 3 S21: 0.1117 S22: 0.0226 S23: 0.1094
REMARK 3 S31: -0.1681 S32: -0.2036 S33: -0.0000
REMARK 3 TLS GROUP : 84
REMARK 3 SELECTION: CHAIN F AND RESID 84:100
REMARK 3 ORIGIN FOR THE GROUP (A): 9.3413 81.4875 39.0990
REMARK 3 T TENSOR
REMARK 3 T11: 0.1466 T22: 0.1633
REMARK 3 T33: 0.1854 T12: 0.0185
REMARK 3 T13: -0.0124 T23: -0.0139
REMARK 3 L TENSOR
REMARK 3 L11: 0.4841 L22: 0.5013
REMARK 3 L33: 0.2245 L12: 0.1789
REMARK 3 L13: 0.3621 L23: -0.0403
REMARK 3 S TENSOR
REMARK 3 S11: -0.0666 S12: 0.2167 S13: -0.1709
REMARK 3 S21: 0.2179 S22: 0.0019 S23: 0.0835
REMARK 3 S31: -0.2437 S32: 0.1586 S33: 0.0001
REMARK 3 TLS GROUP : 85
REMARK 3 SELECTION: CHAIN G AND RESID 84:100
REMARK 3 ORIGIN FOR THE GROUP (A): 3.1700 78.3456 22.2848
REMARK 3 T TENSOR
REMARK 3 T11: 0.1632 T22: 0.1658
REMARK 3 T33: 0.1628 T12: -0.0248
REMARK 3 T13: -0.0078 T23: 0.0332
REMARK 3 L TENSOR
REMARK 3 L11: 0.1340 L22: 0.0867
REMARK 3 L33: 0.4870 L12: -0.0814
REMARK 3 L13: -0.2645 L23: -0.0795
REMARK 3 S TENSOR
REMARK 3 S11: 0.1090 S12: 0.0337 S13: -0.2499
REMARK 3 S21: 0.0154 S22: -0.0584 S23: -0.1742
REMARK 3 S31: 0.1348 S32: 0.0375 S33: 0.0021
REMARK 3 TLS GROUP : 86
REMARK 3 SELECTION: CHAIN H AND RESID 84:100
REMARK 3 ORIGIN FOR THE GROUP (A): 17.4974 76.5619 10.9683
REMARK 3 T TENSOR
REMARK 3 T11: 0.1079 T22: 0.1063
REMARK 3 T33: 0.0983 T12: -0.0005
REMARK 3 T13: -0.0254 T23: -0.0197
REMARK 3 L TENSOR
REMARK 3 L11: 0.7212 L22: 0.2799
REMARK 3 L33: -0.0901 L12: 0.5732
REMARK 3 L13: 0.0782 L23: 0.0149
REMARK 3 S TENSOR
REMARK 3 S11: 0.0314 S12: -0.3031 S13: -0.0957
REMARK 3 S21: 0.1391 S22: -0.1425 S23: 0.0517
REMARK 3 S31: 0.0884 S32: 0.0498 S33: -0.0005
REMARK 3 TLS GROUP : 87
REMARK 3 SELECTION: CHAIN I AND RESID 84:100
REMARK 3 ORIGIN FOR THE GROUP (A): 32.6603 78.6151 20.8508
REMARK 3 T TENSOR
REMARK 3 T11: 0.1428 T22: 0.1493
REMARK 3 T33: 0.1044 T12: -0.0119
REMARK 3 T13: 0.0166 T23: -0.0475
REMARK 3 L TENSOR
REMARK 3 L11: -0.0025 L22: 1.5557
REMARK 3 L33: 0.3805 L12: 0.0902
REMARK 3 L13: -0.2094 L23: 0.6057
REMARK 3 S TENSOR
REMARK 3 S11: -0.0329 S12: -0.3664 S13: 0.0355
REMARK 3 S21: 0.3582 S22: 0.0336 S23: 0.2257
REMARK 3 S31: -0.0517 S32: -0.3179 S33: 0.0266
REMARK 3 TLS GROUP : 88
REMARK 3 SELECTION: CHAIN J AND RESID 84:100
REMARK 3 ORIGIN FOR THE GROUP (A): 27.6242 81.5449 38.2246
REMARK 3 T TENSOR
REMARK 3 T11: 0.1434 T22: 0.1171
REMARK 3 T33: 0.1133 T12: -0.0223
REMARK 3 T13: -0.0520 T23: 0.0032
REMARK 3 L TENSOR
REMARK 3 L11: 0.8465 L22: 1.0150
REMARK 3 L33: 0.8065 L12: -0.3513
REMARK 3 L13: -0.8475 L23: 0.8238
REMARK 3 S TENSOR
REMARK 3 S11: -0.0133 S12: -0.0083 S13: -0.0250
REMARK 3 S21: -0.5686 S22: -0.2843 S23: 0.3082
REMARK 3 S31: -0.2272 S32: -0.2266 S33: -0.0517
REMARK 3 TLS GROUP : 89
REMARK 3 SELECTION: CHAIN A AND RESID 102:109
REMARK 3 ORIGIN FOR THE GROUP (A): 11.4415 31.7322 9.8688
REMARK 3 T TENSOR
REMARK 3 T11: 0.1286 T22: 0.1054
REMARK 3 T33: 0.2154 T12: -0.0639
REMARK 3 T13: 0.0007 T23: 0.0095
REMARK 3 L TENSOR
REMARK 3 L11: 2.3609 L22: 1.4695
REMARK 3 L33: 3.9505 L12: -1.6726
REMARK 3 L13: 2.7663 L23: -1.7283
REMARK 3 S TENSOR
REMARK 3 S11: -0.1087 S12: -0.6713 S13: -0.1758
REMARK 3 S21: -0.1944 S22: 0.3480 S23: -0.0690
REMARK 3 S31: 0.6485 S32: -0.9341 S33: 0.0265
REMARK 3 TLS GROUP : 90
REMARK 3 SELECTION: CHAIN B AND RESID 102:109
REMARK 3 ORIGIN FOR THE GROUP (A): -6.9600 35.5157 33.5417
REMARK 3 T TENSOR
REMARK 3 T11: 0.1590 T22: 0.1934
REMARK 3 T33: 0.1782 T12: 0.0191
REMARK 3 T13: 0.0048 T23: 0.0588
REMARK 3 L TENSOR
REMARK 3 L11: 0.2294 L22: 0.2745
REMARK 3 L33: 0.1946 L12: 0.2466
REMARK 3 L13: -0.0147 L23: -0.0875
REMARK 3 S TENSOR
REMARK 3 S11: -0.0619 S12: -0.4978 S13: -0.3952
REMARK 3 S21: -0.1495 S22: 0.1334 S23: 0.3737
REMARK 3 S31: -0.2291 S32: -0.1223 S33: 0.0007
REMARK 3 TLS GROUP : 91
REMARK 3 SELECTION: CHAIN C AND RESID 102:109
REMARK 3 ORIGIN FOR THE GROUP (A): 10.1764 40.5976 57.9707
REMARK 3 T TENSOR
REMARK 3 T11: 0.1733 T22: 0.1280
REMARK 3 T33: 0.0611 T12: 0.0957
REMARK 3 T13: -0.0192 T23: 0.0090
REMARK 3 L TENSOR
REMARK 3 L11: 0.1279 L22: 2.4369
REMARK 3 L33: 1.4988 L12: 0.1024
REMARK 3 L13: -0.2191 L23: 1.4534
REMARK 3 S TENSOR
REMARK 3 S11: -0.2165 S12: -0.1736 S13: 0.0197
REMARK 3 S21: 0.5278 S22: 0.5974 S23: -0.3107
REMARK 3 S31: 0.1484 S32: 0.5494 S33: 0.0437
REMARK 3 TLS GROUP : 92
REMARK 3 SELECTION: CHAIN D AND RESID 102:109
REMARK 3 ORIGIN FOR THE GROUP (A): 39.2766 39.8101 49.1633
REMARK 3 T TENSOR
REMARK 3 T11: 0.1802 T22: 0.2034
REMARK 3 T33: 0.1829 T12: 0.0687
REMARK 3 T13: -0.0521 T23: -0.0423
REMARK 3 L TENSOR
REMARK 3 L11: 0.3994 L22: 0.3786
REMARK 3 L33: 0.3471 L12: -0.1536
REMARK 3 L13: 0.2164 L23: -0.3607
REMARK 3 S TENSOR
REMARK 3 S11: -0.3895 S12: 0.4548 S13: 0.1166
REMARK 3 S21: 0.0164 S22: 0.6194 S23: -0.0822
REMARK 3 S31: 0.3290 S32: 0.4579 S33: 0.0010
REMARK 3 TLS GROUP : 93
REMARK 3 SELECTION: CHAIN E AND RESID 102:109
REMARK 3 ORIGIN FOR THE GROUP (A): 40.0442 34.1541 19.4668
REMARK 3 T TENSOR
REMARK 3 T11: -0.0103 T22: 0.1444
REMARK 3 T33: 0.1102 T12: -0.0402
REMARK 3 T13: 0.0747 T23: -0.0154
REMARK 3 L TENSOR
REMARK 3 L11: 0.5772 L22: 3.5606
REMARK 3 L33: 0.9383 L12: 0.0287
REMARK 3 L13: 0.3150 L23: -0.5102
REMARK 3 S TENSOR
REMARK 3 S11: -0.2673 S12: 0.3885 S13: -0.1440
REMARK 3 S21: 0.5395 S22: -0.1029 S23: -1.0871
REMARK 3 S31: -0.0274 S32: 0.0675 S33: -0.0202
REMARK 3 TLS GROUP : 94
REMARK 3 SELECTION: CHAIN F AND RESID 102:109
REMARK 3 ORIGIN FOR THE GROUP (A): 16.8169 67.7510 54.4157
REMARK 3 T TENSOR
REMARK 3 T11: 0.1933 T22: 0.1813
REMARK 3 T33: 0.1583 T12: 0.0320
REMARK 3 T13: 0.0328 T23: 0.0012
REMARK 3 L TENSOR
REMARK 3 L11: 0.6208 L22: 0.2053
REMARK 3 L33: 0.1420 L12: -0.3130
REMARK 3 L13: 0.2114 L23: -0.0084
REMARK 3 S TENSOR
REMARK 3 S11: -0.2083 S12: 0.0014 S13: -0.3432
REMARK 3 S21: 0.2772 S22: 0.1475 S23: -0.0242
REMARK 3 S31: -0.3251 S32: -0.6331 S33: 0.0003
REMARK 3 TLS GROUP : 95
REMARK 3 SELECTION: CHAIN G AND RESID 102:109
REMARK 3 ORIGIN FOR THE GROUP (A): -6.7098 64.2120 35.7241
REMARK 3 T TENSOR
REMARK 3 T11: 0.0108 T22: 0.1890
REMARK 3 T33: 0.2329 T12: -0.0138
REMARK 3 T13: 0.0172 T23: 0.0564
REMARK 3 L TENSOR
REMARK 3 L11: 0.5899 L22: 1.3433
REMARK 3 L33: 0.3518 L12: 0.5406
REMARK 3 L13: 0.0683 L23: -0.0949
REMARK 3 S TENSOR
REMARK 3 S11: 0.1539 S12: 0.4867 S13: -0.2420
REMARK 3 S21: 0.3634 S22: 0.3413 S23: 0.3530
REMARK 3 S31: 0.0778 S32: -0.0364 S33: 0.0795
REMARK 3 TLS GROUP : 96
REMARK 3 SELECTION: CHAIN H AND RESID 102:109
REMARK 3 ORIGIN FOR THE GROUP (A): 4.4029 59.3735 7.8650
REMARK 3 T TENSOR
REMARK 3 T11: 0.1213 T22: -0.0165
REMARK 3 T33: 0.1072 T12: -0.1006
REMARK 3 T13: 0.0196 T23: 0.0887
REMARK 3 L TENSOR
REMARK 3 L11: 1.8451 L22: 4.0597
REMARK 3 L33: 0.5754 L12: -1.7300
REMARK 3 L13: 0.5269 L23: 0.2735
REMARK 3 S TENSOR
REMARK 3 S11: 0.3699 S12: 0.8147 S13: -0.4292
REMARK 3 S21: -1.0733 S22: 0.1354 S23: 0.0571
REMARK 3 S31: -0.3596 S32: 0.5358 S33: 0.0097
REMARK 3 TLS GROUP : 97
REMARK 3 SELECTION: CHAIN I AND RESID 102:109
REMARK 3 ORIGIN FOR THE GROUP (A): 34.6392 60.2048 9.2009
REMARK 3 T TENSOR
REMARK 3 T11: 0.0800 T22: 0.0744
REMARK 3 T33: 0.1675 T12: -0.0090
REMARK 3 T13: 0.0747 T23: -0.0061
REMARK 3 L TENSOR
REMARK 3 L11: 1.7931 L22: 0.6429
REMARK 3 L33: 2.5673 L12: -0.9744
REMARK 3 L13: 1.3508 L23: -0.9587
REMARK 3 S TENSOR
REMARK 3 S11: -0.2455 S12: -0.1189 S13: -0.1748
REMARK 3 S21: 0.0746 S22: 0.1603 S23: -0.1324
REMARK 3 S31: -0.2995 S32: 0.4748 S33: -0.2826
REMARK 3 TLS GROUP : 98
REMARK 3 SELECTION: CHAIN J AND RESID 102:109
REMARK 3 ORIGIN FOR THE GROUP (A): 42.3180 65.2714 38.0425
REMARK 3 T TENSOR
REMARK 3 T11: 0.2499 T22: 0.1569
REMARK 3 T33: 0.0900 T12: 0.0353
REMARK 3 T13: -0.0224 T23: -0.0237
REMARK 3 L TENSOR
REMARK 3 L11: 0.2239 L22: 2.1696
REMARK 3 L33: 1.2664 L12: -0.3661
REMARK 3 L13: -0.1978 L23: -0.9820
REMARK 3 S TENSOR
REMARK 3 S11: -0.0786 S12: -0.1514 S13: 0.3738
REMARK 3 S21: -0.2759 S22: -0.0823 S23: -0.9907
REMARK 3 S31: -0.1259 S32: 0.3841 S33: -0.0723
REMARK 3 TLS GROUP : 99
REMARK 3 SELECTION: CHAIN A AND RESID 111:113
REMARK 3 ORIGIN FOR THE GROUP (A): 9.5275 26.4384 14.5895
REMARK 3 T TENSOR
REMARK 3 T11: 0.2860 T22: 0.1137
REMARK 3 T33: 0.1664 T12: -0.0535
REMARK 3 T13: 0.0954 T23: 0.0010
REMARK 3 L TENSOR
REMARK 3 L11: 0.8515 L22: 0.5223
REMARK 3 L33: 5.2172 L12: -0.2623
REMARK 3 L13: 0.3551 L23: -0.5446
REMARK 3 S TENSOR
REMARK 3 S11: -0.2595 S12: 0.6199 S13: -1.0057
REMARK 3 S21: 0.3326 S22: -0.2329 S23: -0.1284
REMARK 3 S31: 1.4600 S32: 0.0125 S33: -0.0148
REMARK 3 TLS GROUP : 100
REMARK 3 SELECTION: CHAIN B AND RESID 111:113
REMARK 3 ORIGIN FOR THE GROUP (A): -4.0291 30.2319 37.6955
REMARK 3 T TENSOR
REMARK 3 T11: 0.1708 T22: 0.1476
REMARK 3 T33: 0.1921 T12: -0.0170
REMARK 3 T13: -0.0778 T23: 0.0460
REMARK 3 L TENSOR
REMARK 3 L11: 6.7506 L22: 1.2903
REMARK 3 L33: 2.0413 L12: -1.9675
REMARK 3 L13: -1.1959 L23: 0.6559
REMARK 3 S TENSOR
REMARK 3 S11: -0.1813 S12: -0.1897 S13: -1.2471
REMARK 3 S21: 0.9196 S22: -0.4198 S23: -0.3591
REMARK 3 S31: 0.6562 S32: -1.0467 S33: -0.1052
REMARK 3 TLS GROUP : 101
REMARK 3 SELECTION: CHAIN C AND RESID 111:113
REMARK 3 ORIGIN FOR THE GROUP (A): 14.0750 34.4346 57.3637
REMARK 3 T TENSOR
REMARK 3 T11: 0.2070 T22: 0.2404
REMARK 3 T33: 0.1487 T12: -0.0247
REMARK 3 T13: -0.0173 T23: 0.0041
REMARK 3 L TENSOR
REMARK 3 L11: 0.7847 L22: 5.5882
REMARK 3 L33: 2.0009 L12: -0.7229
REMARK 3 L13: -0.7378 L23: -1.6354
REMARK 3 S TENSOR
REMARK 3 S11: 0.6026 S12: -0.6758 S13: 0.3667
REMARK 3 S21: -1.1223 S22: 0.3539 S23: -0.4091
REMARK 3 S31: 1.0276 S32: -0.7437 S33: 0.1282
REMARK 3 TLS GROUP : 102
REMARK 3 SELECTION: CHAIN D AND RESID 111:113
REMARK 3 ORIGIN FOR THE GROUP (A): 39.0635 33.0855 46.3772
REMARK 3 T TENSOR
REMARK 3 T11: -0.7817 T22: -0.3549
REMARK 3 T33: 0.0952 T12: -0.6469
REMARK 3 T13: 0.4105 T23: 0.2749
REMARK 3 L TENSOR
REMARK 3 L11: 0.0762 L22: 0.5493
REMARK 3 L33: 0.1726 L12: 0.2167
REMARK 3 L13: -0.0925 L23: -0.3163
REMARK 3 S TENSOR
REMARK 3 S11: -0.0529 S12: 0.0300 S13: -0.6797
REMARK 3 S21: -0.3633 S22: 0.2104 S23: -0.3439
REMARK 3 S31: -0.1644 S32: -0.0794 S33: 0.0487
REMARK 3 TLS GROUP : 103
REMARK 3 SELECTION: CHAIN E AND RESID 111:113
REMARK 3 ORIGIN FOR THE GROUP (A): 36.1579 28.0029 19.7954
REMARK 3 T TENSOR
REMARK 3 T11: 0.1836 T22: 0.0693
REMARK 3 T33: 0.0768 T12: 0.0190
REMARK 3 T13: 0.0187 T23: -0.0011
REMARK 3 L TENSOR
REMARK 3 L11: 1.9857 L22: 4.3467
REMARK 3 L33: 8.0834 L12: 6.4349
REMARK 3 L13: -4.2126 L23: -4.2351
REMARK 3 S TENSOR
REMARK 3 S11: -0.5362 S12: 0.1718 S13: -1.1593
REMARK 3 S21: 0.3777 S22: 0.3411 S23: -0.6986
REMARK 3 S31: 0.8327 S32: 1.1990 S33: -0.1007
REMARK 3 TLS GROUP : 104
REMARK 3 SELECTION: CHAIN F AND RESID 111:113
REMARK 3 ORIGIN FOR THE GROUP (A): 13.8867 73.1350 50.4649
REMARK 3 T TENSOR
REMARK 3 T11: 0.0565 T22: 0.1877
REMARK 3 T33: 0.2025 T12: -0.0083
REMARK 3 T13: 0.0246 T23: -0.0679
REMARK 3 L TENSOR
REMARK 3 L11: 0.1211 L22: 0.4269
REMARK 3 L33: 3.3895 L12: -0.1051
REMARK 3 L13: -0.4444 L23: 1.1452
REMARK 3 S TENSOR
REMARK 3 S11: 0.4335 S12: -0.3300 S13: 0.6961
REMARK 3 S21: -0.3224 S22: -0.1267 S23: 0.2813
REMARK 3 S31: -0.6161 S32: -0.1862 S33: -0.0140
REMARK 3 TLS GROUP : 105
REMARK 3 SELECTION: CHAIN G AND RESID 111:113
REMARK 3 ORIGIN FOR THE GROUP (A): -4.7524 69.5104 31.1701
REMARK 3 T TENSOR
REMARK 3 T11: -0.0563 T22: 0.2038
REMARK 3 T33: 0.2062 T12: 0.0364
REMARK 3 T13: -0.0991 T23: 0.0593
REMARK 3 L TENSOR
REMARK 3 L11: 3.8738 L22: 0.8791
REMARK 3 L33: 2.0026 L12: -0.4879
REMARK 3 L13: -4.5477 L23: -1.5584
REMARK 3 S TENSOR
REMARK 3 S11: -0.0814 S12: 0.0590 S13: 1.2860
REMARK 3 S21: 0.4206 S22: 0.4678 S23: -0.8177
REMARK 3 S31: -0.8917 S32: -1.0374 S33: 0.3299
REMARK 3 TLS GROUP : 106
REMARK 3 SELECTION: CHAIN H AND RESID 111:113
REMARK 3 ORIGIN FOR THE GROUP (A): 8.2980 65.4359 7.5421
REMARK 3 T TENSOR
REMARK 3 T11: 0.0643 T22: 0.0448
REMARK 3 T33: 0.0720 T12: -0.0433
REMARK 3 T13: -0.0072 T23: 0.0580
REMARK 3 L TENSOR
REMARK 3 L11: 8.0249 L22: 1.6616
REMARK 3 L33: 5.4125 L12: 2.0048
REMARK 3 L13: -1.6400 L23: 0.1928
REMARK 3 S TENSOR
REMARK 3 S11: -0.7036 S12: 1.3114 S13: 0.0339
REMARK 3 S21: 0.0748 S22: 0.8238 S23: 0.8139
REMARK 3 S31: -0.7532 S32: -0.4684 S33: 0.0695
REMARK 3 TLS GROUP : 107
REMARK 3 SELECTION: CHAIN I AND RESID 111:113
REMARK 3 ORIGIN FOR THE GROUP (A): 34.9779 66.8549 12.3333
REMARK 3 T TENSOR
REMARK 3 T11: 0.2172 T22: 0.0842
REMARK 3 T33: -0.0199 T12: -0.0583
REMARK 3 T13: -0.0178 T23: -0.0665
REMARK 3 L TENSOR
REMARK 3 L11: 3.8677 L22: 0.7960
REMARK 3 L33: 2.0045 L12: 1.1245
REMARK 3 L13: -5.8714 L23: -1.3927
REMARK 3 S TENSOR
REMARK 3 S11: 0.7206 S12: 0.0496 S13: 0.1264
REMARK 3 S21: 0.1745 S22: 0.2565 S23: 0.3620
REMARK 3 S31: -0.6879 S32: -0.3546 S33: 0.3675
REMARK 3 TLS GROUP : 108
REMARK 3 SELECTION: CHAIN J AND RESID 111:113
REMARK 3 ORIGIN FOR THE GROUP (A): 38.4860 71.4351 38.6844
REMARK 3 T TENSOR
REMARK 3 T11: 0.2456 T22: 0.1219
REMARK 3 T33: 0.0724 T12: -0.0111
REMARK 3 T13: -0.0597 T23: 0.0191
REMARK 3 L TENSOR
REMARK 3 L11: 5.8804 L22: 1.6185
REMARK 3 L33: 1.1642 L12: -2.8875
REMARK 3 L13: 0.3058 L23: -0.6384
REMARK 3 S TENSOR
REMARK 3 S11: 0.4114 S12: 0.0071 S13: 1.2037
REMARK 3 S21: -0.6360 S22: -0.5057 S23: 0.0457
REMARK 3 S31: -0.9289 S32: 0.9566 S33: 0.0253
REMARK 3 TLS GROUP : 109
REMARK 3 SELECTION: CHAIN A AND RESID 115:119
REMARK 3 ORIGIN FOR THE GROUP (A): 12.5977 14.7315 23.6818
REMARK 3 T TENSOR
REMARK 3 T11: 0.1667 T22: 0.0787
REMARK 3 T33: 0.0594 T12: -0.0271
REMARK 3 T13: 0.0852 T23: -0.0606
REMARK 3 L TENSOR
REMARK 3 L11: 3.2751 L22: 5.8082
REMARK 3 L33: 6.2166 L12: -0.4537
REMARK 3 L13: 2.3513 L23: -3.6747
REMARK 3 S TENSOR
REMARK 3 S11: -0.1251 S12: -0.2351 S13: 0.5112
REMARK 3 S21: -0.3236 S22: -0.6872 S23: 0.0000
REMARK 3 S31: 0.7030 S32: 0.0715 S33: -0.5682
REMARK 3 TLS GROUP : 110
REMARK 3 SELECTION: CHAIN B AND RESID 115:119
REMARK 3 ORIGIN FOR THE GROUP (A): 4.0639 17.3682 39.5001
REMARK 3 T TENSOR
REMARK 3 T11: 0.3737 T22: 0.2502
REMARK 3 T33: 0.1563 T12: 0.0578
REMARK 3 T13: 0.0159 T23: 0.0385
REMARK 3 L TENSOR
REMARK 3 L11: 0.1652 L22: 0.0695
REMARK 3 L33: 0.0880 L12: 0.1174
REMARK 3 L13: 0.0855 L23: 0.0547
REMARK 3 S TENSOR
REMARK 3 S11: 0.1891 S12: -0.1086 S13: -0.4211
REMARK 3 S21: -0.2243 S22: -0.0725 S23: 0.4801
REMARK 3 S31: -0.1610 S32: 0.3481 S33: 0.0003
REMARK 3 TLS GROUP : 111
REMARK 3 SELECTION: CHAIN C AND RESID 115:119
REMARK 3 ORIGIN FOR THE GROUP (A): 16.2399 20.2314 52.5347
REMARK 3 T TENSOR
REMARK 3 T11: 0.2046 T22: 0.1121
REMARK 3 T33: 0.1664 T12: 0.0413
REMARK 3 T13: -0.0770 T23: -0.0469
REMARK 3 L TENSOR
REMARK 3 L11: 0.5974 L22: 2.5750
REMARK 3 L33: 0.3286 L12: -1.0056
REMARK 3 L13: -0.4292 L23: 0.6047
REMARK 3 S TENSOR
REMARK 3 S11: -0.1139 S12: -0.0441 S13: -0.8242
REMARK 3 S21: 0.1051 S22: -0.4043 S23: 1.1337
REMARK 3 S31: 0.4082 S32: -0.0630 S33: -0.0087
REMARK 3 TLS GROUP : 112
REMARK 3 SELECTION: CHAIN D AND RESID 115:119
REMARK 3 ORIGIN FOR THE GROUP (A): 32.8820 19.2799 44.9815
REMARK 3 T TENSOR
REMARK 3 T11: 0.2685 T22: 0.0847
REMARK 3 T33: 0.1315 T12: -0.0331
REMARK 3 T13: -0.0429 T23: -0.0006
REMARK 3 L TENSOR
REMARK 3 L11: 0.3838 L22: 4.6826
REMARK 3 L33: 0.6342 L12: 1.0770
REMARK 3 L13: 0.4425 L23: 1.5852
REMARK 3 S TENSOR
REMARK 3 S11: 0.5620 S12: 0.1799 S13: 0.1006
REMARK 3 S21: 1.0613 S22: -0.7783 S23: 0.1013
REMARK 3 S31: 0.3371 S32: -0.2263 S33: -0.0323
REMARK 3 TLS GROUP : 113
REMARK 3 SELECTION: CHAIN E AND RESID 115:119
REMARK 3 ORIGIN FOR THE GROUP (A): 30.7053 15.8820 27.0592
REMARK 3 T TENSOR
REMARK 3 T11: 0.1745 T22: 0.1392
REMARK 3 T33: 0.0677 T12: -0.0373
REMARK 3 T13: -0.0379 T23: -0.0097
REMARK 3 L TENSOR
REMARK 3 L11: 0.2266 L22: 0.3338
REMARK 3 L33: 0.7021 L12: 0.0574
REMARK 3 L13: 0.2979 L23: 0.4490
REMARK 3 S TENSOR
REMARK 3 S11: 0.3778 S12: -0.2876 S13: 0.0714
REMARK 3 S21: 0.3380 S22: -0.4559 S23: 0.0098
REMARK 3 S31: 0.4555 S32: -0.4985 S33: -0.0003
REMARK 3 TLS GROUP : 114
REMARK 3 SELECTION: CHAIN F AND RESID 115:119
REMARK 3 ORIGIN FOR THE GROUP (A): 14.9431 84.9077 40.9606
REMARK 3 T TENSOR
REMARK 3 T11: 0.1938 T22: 0.1699
REMARK 3 T33: 0.1658 T12: -0.0074
REMARK 3 T13: -0.0650 T23: -0.0287
REMARK 3 L TENSOR
REMARK 3 L11: 0.1082 L22: 0.4111
REMARK 3 L33: 0.2646 L12: -0.0339
REMARK 3 L13: 0.1736 L23: -0.1378
REMARK 3 S TENSOR
REMARK 3 S11: -0.2741 S12: -0.1035 S13: 0.1599
REMARK 3 S21: 0.5317 S22: -0.4635 S23: -0.0731
REMARK 3 S31: -0.3987 S32: -0.1054 S33: -0.0010
REMARK 3 TLS GROUP : 115
REMARK 3 SELECTION: CHAIN G AND RESID 115:119
REMARK 3 ORIGIN FOR THE GROUP (A): 2.5573 82.3048 27.7057
REMARK 3 T TENSOR
REMARK 3 T11: 0.1607 T22: 0.1472
REMARK 3 T33: 0.0872 T12: -0.0644
REMARK 3 T13: 0.0258 T23: 0.0375
REMARK 3 L TENSOR
REMARK 3 L11: 0.1097 L22: 0.1419
REMARK 3 L33: 0.1433 L12: -0.1190
REMARK 3 L13: 0.0365 L23: -0.1061
REMARK 3 S TENSOR
REMARK 3 S11: 0.3770 S12: -0.0493 S13: -0.2847
REMARK 3 S21: 0.3417 S22: -0.6540 S23: -0.2302
REMARK 3 S31: -0.5687 S32: 0.5901 S33: 0.0043
REMARK 3 TLS GROUP : 116
REMARK 3 SELECTION: CHAIN H AND RESID 115:119
REMARK 3 ORIGIN FOR THE GROUP (A): 11.5654 79.6361 11.8272
REMARK 3 T TENSOR
REMARK 3 T11: 0.0765 T22: 0.1410
REMARK 3 T33: 0.1493 T12: -0.0563
REMARK 3 T13: -0.0521 T23: -0.0534
REMARK 3 L TENSOR
REMARK 3 L11: 0.9051 L22: 1.5318
REMARK 3 L33: 0.7782 L12: -0.3283
REMARK 3 L13: 0.5233 L23: -1.0000
REMARK 3 S TENSOR
REMARK 3 S11: 0.0234 S12: 0.0241 S13: 0.1810
REMARK 3 S21: -0.2777 S22: 0.1181 S23: 0.5151
REMARK 3 S31: -0.0277 S32: 0.3901 S33: 0.6761
REMARK 3 TLS GROUP : 117
REMARK 3 SELECTION: CHAIN I AND RESID 115:119
REMARK 3 ORIGIN FOR THE GROUP (A): 29.5173 80.5674 15.1841
REMARK 3 T TENSOR
REMARK 3 T11: 0.0714 T22: 0.0863
REMARK 3 T33: 0.0293 T12: -0.0133
REMARK 3 T13: 0.0711 T23: 0.0356
REMARK 3 L TENSOR
REMARK 3 L11: 2.2029 L22: 8.7545
REMARK 3 L33: 2.0983 L12: 4.0813
REMARK 3 L13: 2.0875 L23: 3.6562
REMARK 3 S TENSOR
REMARK 3 S11: -0.1630 S12: 0.0801 S13: 0.2313
REMARK 3 S21: -0.2980 S22: -0.1768 S23: 0.8192
REMARK 3 S31: 0.1447 S32: 0.4367 S33: -0.7349
REMARK 3 TLS GROUP : 118
REMARK 3 SELECTION: CHAIN J AND RESID 115:119
REMARK 3 ORIGIN FOR THE GROUP (A): 31.5511 83.7361 33.1988
REMARK 3 T TENSOR
REMARK 3 T11: 0.2489 T22: 0.1200
REMARK 3 T33: 0.0369 T12: -0.0082
REMARK 3 T13: 0.0491 T23: 0.0013
REMARK 3 L TENSOR
REMARK 3 L11: 0.5017 L22: 0.7298
REMARK 3 L33: 0.1850 L12: -0.3234
REMARK 3 L13: -0.2284 L23: -0.0459
REMARK 3 S TENSOR
REMARK 3 S11: 0.4436 S12: -0.1108 S13: 0.2791
REMARK 3 S21: -0.6780 S22: -0.2651 S23: -0.2439
REMARK 3 S31: 0.2981 S32: -0.0293 S33: -0.0079
REMARK 3 TLS GROUP : 119
REMARK 3 SELECTION: CHAIN A AND RESID 121:128
REMARK 3 ORIGIN FOR THE GROUP (A): 2.3705 1.4017 26.5980
REMARK 3 T TENSOR
REMARK 3 T11: 0.1726 T22: 0.2913
REMARK 3 T33: 0.3291 T12: -0.0470
REMARK 3 T13: 0.0984 T23: -0.0958
REMARK 3 L TENSOR
REMARK 3 L11: 0.7536 L22: 3.3554
REMARK 3 L33: 2.9143 L12: -0.4237
REMARK 3 L13: -0.4549 L23: 3.1047
REMARK 3 S TENSOR
REMARK 3 S11: -0.8060 S12: -0.3118 S13: -0.4247
REMARK 3 S21: 0.5627 S22: 0.0941 S23: 0.9197
REMARK 3 S31: 0.8142 S32: -0.3575 S33: -0.0120
REMARK 3 TLS GROUP : 120
REMARK 3 SELECTION: CHAIN B AND RESID 121:128
REMARK 3 ORIGIN FOR THE GROUP (A): 1.5569 6.0397 52.0477
REMARK 3 T TENSOR
REMARK 3 T11: 0.2033 T22: 0.2945
REMARK 3 T33: 0.2863 T12: -0.0447
REMARK 3 T13: -0.0397 T23: -0.0532
REMARK 3 L TENSOR
REMARK 3 L11: 0.0869 L22: 0.1270
REMARK 3 L33: 0.0242 L12: 0.0588
REMARK 3 L13: -0.0898 L23: 0.0189
REMARK 3 S TENSOR
REMARK 3 S11: -0.2538 S12: 0.1124 S13: -0.0655
REMARK 3 S21: 0.5283 S22: 0.2346 S23: 0.3467
REMARK 3 S31: -0.2341 S32: -0.4898 S33: 0.0003
REMARK 3 TLS GROUP : 121
REMARK 3 SELECTION: CHAIN C AND RESID 121:128
REMARK 3 ORIGIN FOR THE GROUP (A): 25.6134 8.4415 60.7487
REMARK 3 T TENSOR
REMARK 3 T11: 0.2033 T22: 0.3378
REMARK 3 T33: 0.2299 T12: -0.0271
REMARK 3 T13: 0.0789 T23: 0.0605
REMARK 3 L TENSOR
REMARK 3 L11: 0.5999 L22: 1.8093
REMARK 3 L33: 0.7075 L12: 1.0416
REMARK 3 L13: -0.6377 L23: -1.0709
REMARK 3 S TENSOR
REMARK 3 S11: -0.0825 S12: -0.5018 S13: -0.3852
REMARK 3 S21: -0.2873 S22: -0.5746 S23: -0.9287
REMARK 3 S31: -0.0285 S32: 0.6793 S33: -0.0274
REMARK 3 TLS GROUP : 122
REMARK 3 SELECTION: CHAIN D AND RESID 121:128
REMARK 3 ORIGIN FOR THE GROUP (A): 41.4644 5.0152 40.8723
REMARK 3 T TENSOR
REMARK 3 T11: 0.3698 T22: 0.3112
REMARK 3 T33: -0.0685 T12: 0.0499
REMARK 3 T13: 0.0069 T23: 0.0736
REMARK 3 L TENSOR
REMARK 3 L11: 4.9443 L22: 7.0585
REMARK 3 L33: 3.0918 L12: 5.8976
REMARK 3 L13: -3.8743 L23: -4.6663
REMARK 3 S TENSOR
REMARK 3 S11: -0.3797 S12: 0.7985 S13: -0.7300
REMARK 3 S21: -0.9546 S22: -0.6318 S23: -0.8993
REMARK 3 S31: 1.0768 S32: 0.5059 S33: -0.5934
REMARK 3 TLS GROUP : 123
REMARK 3 SELECTION: CHAIN E AND RESID 121:128
REMARK 3 ORIGIN FOR THE GROUP (A): 27.2154 0.8517 19.8232
REMARK 3 T TENSOR
REMARK 3 T11: 0.1772 T22: 0.1945
REMARK 3 T33: 0.0716 T12: 0.0166
REMARK 3 T13: -0.0045 T23: 0.0112
REMARK 3 L TENSOR
REMARK 3 L11: 0.9464 L22: 1.4096
REMARK 3 L33: 0.0183 L12: -1.1553
REMARK 3 L13: -0.0344 L23: 0.0597
REMARK 3 S TENSOR
REMARK 3 S11: 0.4179 S12: 0.3939 S13: -0.3626
REMARK 3 S21: -0.4254 S22: -0.6023 S23: 0.4669
REMARK 3 S31: 0.2589 S32: -0.1041 S33: 0.0031
REMARK 3 TLS GROUP : 124
REMARK 3 SELECTION: CHAIN F AND RESID 121:128
REMARK 3 ORIGIN FOR THE GROUP (A): 4.2560 98.2153 40.6028
REMARK 3 T TENSOR
REMARK 3 T11: 0.2821 T22: 0.2778
REMARK 3 T33: 0.4695 T12: 0.0455
REMARK 3 T13: -0.0613 T23: -0.1178
REMARK 3 L TENSOR
REMARK 3 L11: 0.3168 L22: 0.1452
REMARK 3 L33: 0.2059 L12: -0.0558
REMARK 3 L13: 0.0101 L23: -0.0462
REMARK 3 S TENSOR
REMARK 3 S11: -0.4295 S12: 0.0262 S13: 1.2210
REMARK 3 S21: 0.6725 S22: -0.1827 S23: 0.4577
REMARK 3 S31: 0.4787 S32: -0.2764 S33: 0.0014
REMARK 3 TLS GROUP : 125
REMARK 3 SELECTION: CHAIN G AND RESID 121:128
REMARK 3 ORIGIN FOR THE GROUP (A): -2.5692 93.7637 16.1412
REMARK 3 T TENSOR
REMARK 3 T11: 0.0307 T22: 0.2765
REMARK 3 T33: 0.3565 T12: -0.0296
REMARK 3 T13: 0.0186 T23: -0.0657
REMARK 3 L TENSOR
REMARK 3 L11: 1.0321 L22: 2.0068
REMARK 3 L33: 2.4585 L12: -0.9979
REMARK 3 L13: 0.4536 L23: 4.0667
REMARK 3 S TENSOR
REMARK 3 S11: -0.3573 S12: 0.6487 S13: 0.1646
REMARK 3 S21: -1.7630 S22: -0.4497 S23: 1.0579
REMARK 3 S31: -0.6320 S32: -0.4513 S33: -0.0206
REMARK 3 TLS GROUP : 126
REMARK 3 SELECTION: CHAIN H AND RESID 121:128
REMARK 3 ORIGIN FOR THE GROUP (A): 18.6520 91.5714 1.7899
REMARK 3 T TENSOR
REMARK 3 T11: 0.1731 T22: 0.2321
REMARK 3 T33: 0.2440 T12: -0.0193
REMARK 3 T13: 0.0129 T23: -0.0073
REMARK 3 L TENSOR
REMARK 3 L11: 0.1049 L22: 0.1369
REMARK 3 L33: 0.1923 L12: 0.1321
REMARK 3 L13: 0.1644 L23: 0.1552
REMARK 3 S TENSOR
REMARK 3 S11: 0.4669 S12: 0.0574 S13: 0.2343
REMARK 3 S21: 0.1626 S22: -0.2583 S23: -0.4625
REMARK 3 S31: -0.0329 S32: 0.2305 S33: 0.0004
REMARK 3 TLS GROUP : 127
REMARK 3 SELECTION: CHAIN I AND RESID 121:128
REMARK 3 ORIGIN FOR THE GROUP (A): 38.8139 94.8024 17.3514
REMARK 3 T TENSOR
REMARK 3 T11: 0.3139 T22: 0.2189
REMARK 3 T33: 0.1696 T12: 0.0159
REMARK 3 T13: -0.1134 T23: 0.0772
REMARK 3 L TENSOR
REMARK 3 L11: 4.2833 L22: 7.1837
REMARK 3 L33: 2.5492 L12: -4.5760
REMARK 3 L13: 2.5103 L23: -4.2840
REMARK 3 S TENSOR
REMARK 3 S11: -0.6021 S12: -0.2423 S13: 1.5964
REMARK 3 S21: 0.8288 S22: -0.2692 S23: -2.0130
REMARK 3 S31: -1.1101 S32: 0.1570 S33: -0.1527
REMARK 3 TLS GROUP : 128
REMARK 3 SELECTION: CHAIN J AND RESID 121:128
REMARK 3 ORIGIN FOR THE GROUP (A): 29.9696 98.7475 41.2443
REMARK 3 T TENSOR
REMARK 3 T11: 0.4209 T22: 0.2224
REMARK 3 T33: 0.1767 T12: -0.0165
REMARK 3 T13: 0.0017 T23: -0.0221
REMARK 3 L TENSOR
REMARK 3 L11: 0.3541 L22: 0.4880
REMARK 3 L33: 0.4236 L12: 0.2229
REMARK 3 L13: 0.0891 L23: -0.2830
REMARK 3 S TENSOR
REMARK 3 S11: 0.6828 S12: -0.4738 S13: 0.1299
REMARK 3 S21: 1.0890 S22: -0.7867 S23: -0.0680
REMARK 3 S31: -1.0556 S32: -0.6312 S33: 0.0068
REMARK 3 TLS GROUP : 129
REMARK 3 SELECTION: CHAIN A AND RESID 133:136
REMARK 3 ORIGIN FOR THE GROUP (A): 0.9974 0.4536 21.2450
REMARK 3 T TENSOR
REMARK 3 T11: 0.2883 T22: 0.2300
REMARK 3 T33: 0.4677 T12: -0.0929
REMARK 3 T13: 0.1176 T23: -0.0797
REMARK 3 L TENSOR
REMARK 3 L11: 0.9772 L22: 2.1112
REMARK 3 L33: 3.7027 L12: -1.3248
REMARK 3 L13: 1.7504 L23: -2.8010
REMARK 3 S TENSOR
REMARK 3 S11: -0.1675 S12: -0.4432 S13: 0.1471
REMARK 3 S21: 0.7594 S22: 0.2295 S23: -0.7891
REMARK 3 S31: -0.8172 S32: 1.0215 S33: -0.0577
REMARK 3 TLS GROUP : 130
REMARK 3 SELECTION: CHAIN B AND RESID 133:136
REMARK 3 ORIGIN FOR THE GROUP (A): -4.0568 5.7174 51.7056
REMARK 3 T TENSOR
REMARK 3 T11: 0.1447 T22: 0.5059
REMARK 3 T33: 0.3187 T12: -0.0880
REMARK 3 T13: 0.0698 T23: 0.1053
REMARK 3 L TENSOR
REMARK 3 L11: 0.1219 L22: 0.1852
REMARK 3 L33: 0.0716 L12: -0.1530
REMARK 3 L13: -0.0101 L23: 0.0254
REMARK 3 S TENSOR
REMARK 3 S11: 0.5681 S12: -0.3539 S13: 0.6678
REMARK 3 S21: 0.5667 S22: 0.2048 S23: -0.3584
REMARK 3 S31: -0.6293 S32: 0.6265 S33: -0.0000
REMARK 3 TLS GROUP : 131
REMARK 3 SELECTION: CHAIN C AND RESID 133:136
REMARK 3 ORIGIN FOR THE GROUP (A): 23.4963 9.4266 65.8269
REMARK 3 T TENSOR
REMARK 3 T11: 0.1203 T22: 0.3081
REMARK 3 T33: 0.1845 T12: -0.0435
REMARK 3 T13: -0.0448 T23: 0.0437
REMARK 3 L TENSOR
REMARK 3 L11: 3.0591 L22: 6.2762
REMARK 3 L33: 3.9961 L12: -4.2299
REMARK 3 L13: -2.8900 L23: 4.7337
REMARK 3 S TENSOR
REMARK 3 S11: 0.4154 S12: 0.4312 S13: 0.3045
REMARK 3 S21: -0.6516 S22: 0.2817 S23: -1.0643
REMARK 3 S31: -0.1897 S32: -0.4050 S33: 0.1168
REMARK 3 TLS GROUP : 132
REMARK 3 SELECTION: CHAIN D AND RESID 133:136
REMARK 3 ORIGIN FOR THE GROUP (A): 45.7654 5.8095 44.3917
REMARK 3 T TENSOR
REMARK 3 T11: 0.3896 T22: 0.3229
REMARK 3 T33: 0.1004 T12: 0.0603
REMARK 3 T13: -0.0424 T23: 0.0561
REMARK 3 L TENSOR
REMARK 3 L11: 1.2387 L22: 2.7804
REMARK 3 L33: 0.7839 L12: -0.1516
REMARK 3 L13: 0.3053 L23: 0.0524
REMARK 3 S TENSOR
REMARK 3 S11: -0.8741 S12: 0.6269 S13: -0.1500
REMARK 3 S21: -0.1742 S22: 0.0273 S23: 0.6186
REMARK 3 S31: -0.5585 S32: -1.3243 S33: -0.0272
REMARK 3 TLS GROUP : 133
REMARK 3 SELECTION: CHAIN E AND RESID 133:136
REMARK 3 ORIGIN FOR THE GROUP (A): 31.9959 0.4583 16.8823
REMARK 3 T TENSOR
REMARK 3 T11: 0.1636 T22: 0.2901
REMARK 3 T33: 0.1254 T12: 0.0303
REMARK 3 T13: 0.0035 T23: -0.0218
REMARK 3 L TENSOR
REMARK 3 L11: 0.4656 L22: 1.4723
REMARK 3 L33: 0.6854 L12: 0.8290
REMARK 3 L13: 0.2900 L23: 0.4223
REMARK 3 S TENSOR
REMARK 3 S11: -0.1598 S12: -0.8136 S13: 0.5823
REMARK 3 S21: 0.0628 S22: 0.0730 S23: 0.4294
REMARK 3 S31: -0.9167 S32: -0.3139 S33: -0.0044
REMARK 3 TLS GROUP : 134
REMARK 3 SELECTION: CHAIN F AND RESID 133:136
REMARK 3 ORIGIN FOR THE GROUP (A): 4.1646 99.0683 46.2515
REMARK 3 T TENSOR
REMARK 3 T11: 0.2452 T22: 0.3620
REMARK 3 T33: 0.5673 T12: 0.2047
REMARK 3 T13: 0.0349 T23: -0.1227
REMARK 3 L TENSOR
REMARK 3 L11: 0.2871 L22: 2.9425
REMARK 3 L33: 7.0061 L12: 0.8993
REMARK 3 L13: -1.3876 L23: -4.5476
REMARK 3 S TENSOR
REMARK 3 S11: -0.1242 S12: 0.2409 S13: 0.2931
REMARK 3 S21: -1.2241 S22: -0.3024 S23: -0.6016
REMARK 3 S31: 0.7235 S32: 0.2874 S33: 0.0309
REMARK 3 TLS GROUP : 135
REMARK 3 SELECTION: CHAIN G AND RESID 133:136
REMARK 3 ORIGIN FOR THE GROUP (A): -7.9710 94.0849 17.7977
REMARK 3 T TENSOR
REMARK 3 T11: 0.0734 T22: 0.3601
REMARK 3 T33: 0.4190 T12: 0.0952
REMARK 3 T13: -0.0027 T23: -0.1922
REMARK 3 L TENSOR
REMARK 3 L11: 0.1132 L22: 0.1556
REMARK 3 L33: 0.5039 L12: 0.0644
REMARK 3 L13: -0.0536 L23: 0.2126
REMARK 3 S TENSOR
REMARK 3 S11: 0.2333 S12: -0.1463 S13: -0.0079
REMARK 3 S21: 0.4416 S22: -0.1292 S23: 0.2498
REMARK 3 S31: 0.3722 S32: 0.2844 S33: 0.0028
REMARK 3 TLS GROUP : 136
REMARK 3 SELECTION: CHAIN H AND RESID 133:136
REMARK 3 ORIGIN FOR THE GROUP (A): 15.3715 90.6524 -2.6732
REMARK 3 T TENSOR
REMARK 3 T11: 0.2482 T22: 0.3803
REMARK 3 T33: 0.1600 T12: 0.0751
REMARK 3 T13: 0.0559 T23: 0.0895
REMARK 3 L TENSOR
REMARK 3 L11: 0.0192 L22: 0.1109
REMARK 3 L33: 0.0218 L12: 0.0544
REMARK 3 L13: 0.0374 L23: 0.0523
REMARK 3 S TENSOR
REMARK 3 S11: -0.3647 S12: -0.7729 S13: -0.1187
REMARK 3 S21: 0.5111 S22: -0.0686 S23: -0.5625
REMARK 3 S31: 0.6970 S32: -0.2375 S33: 0.0000
REMARK 3 TLS GROUP : 137
REMARK 3 SELECTION: CHAIN I AND RESID 133:136
REMARK 3 ORIGIN FOR THE GROUP (A): 42.0833 93.9817 12.9181
REMARK 3 T TENSOR
REMARK 3 T11: 0.1912 T22: 0.3093
REMARK 3 T33: 0.0624 T12: -0.0041
REMARK 3 T13: 0.0368 T23: -0.0470
REMARK 3 L TENSOR
REMARK 3 L11: 0.9370 L22: 0.1917
REMARK 3 L33: 0.1447 L12: -0.2670
REMARK 3 L13: 0.2510 L23: 0.0289
REMARK 3 S TENSOR
REMARK 3 S11: 0.0912 S12: -1.0100 S13: -0.2777
REMARK 3 S21: -0.4603 S22: 0.4539 S23: 0.1375
REMARK 3 S31: -0.1103 S32: 0.5739 S33: 0.0137
REMARK 3 TLS GROUP : 138
REMARK 3 SELECTION: CHAIN J AND RESID 133:136
REMARK 3 ORIGIN FOR THE GROUP (A): 35.2916 99.1418 42.9766
REMARK 3 T TENSOR
REMARK 3 T11: 0.4268 T22: 0.2640
REMARK 3 T33: 0.1482 T12: -0.0716
REMARK 3 T13: -0.0408 T23: -0.0873
REMARK 3 L TENSOR
REMARK 3 L11: 0.5577 L22: 1.3217
REMARK 3 L33: 0.2656 L12: -0.8287
REMARK 3 L13: 0.1824 L23: -0.1418
REMARK 3 S TENSOR
REMARK 3 S11: -0.9794 S12: 0.0573 S13: -0.5468
REMARK 3 S21: 0.1805 S22: 0.7023 S23: 0.0526
REMARK 3 S31: 0.3702 S32: -0.6060 S33: 0.0178
REMARK 3 TLS GROUP : 139
REMARK 3 SELECTION: CHAIN A AND RESID 140:145
REMARK 3 ORIGIN FOR THE GROUP (A): -2.4764 23.8576 26.1957
REMARK 3 T TENSOR
REMARK 3 T11: 0.2175 T22: 0.1771
REMARK 3 T33: 0.2010 T12: 0.0024
REMARK 3 T13: -0.0357 T23: 0.0211
REMARK 3 L TENSOR
REMARK 3 L11: 0.1222 L22: 0.0141
REMARK 3 L33: 0.0328 L12: -0.0392
REMARK 3 L13: -0.0631 L23: 0.0216
REMARK 3 S TENSOR
REMARK 3 S11: -0.1967 S12: 0.5851 S13: 0.3444
REMARK 3 S21: -0.7097 S22: -0.2779 S23: -0.0332
REMARK 3 S31: 0.3164 S32: 0.0559 S33: -0.0025
REMARK 3 TLS GROUP : 140
REMARK 3 SELECTION: CHAIN B AND RESID 140:145
REMARK 3 ORIGIN FOR THE GROUP (A): 2.7333 28.8587 53.1044
REMARK 3 T TENSOR
REMARK 3 T11: 0.1471 T22: 0.2227
REMARK 3 T33: 0.1797 T12: 0.0443
REMARK 3 T13: 0.0391 T23: 0.0132
REMARK 3 L TENSOR
REMARK 3 L11: 0.1327 L22: 0.0993
REMARK 3 L33: 0.0432 L12: -0.1134
REMARK 3 L13: 0.1038 L23: -0.0357
REMARK 3 S TENSOR
REMARK 3 S11: 0.1216 S12: 0.4661 S13: 0.1681
REMARK 3 S21: -0.5065 S22: -0.2434 S23: 0.0779
REMARK 3 S31: -0.0086 S32: -0.0559 S33: 0.0006
REMARK 3 TLS GROUP : 141
REMARK 3 SELECTION: CHAIN C AND RESID 140:145
REMARK 3 ORIGIN FOR THE GROUP (A): 30.6282 30.4126 56.3068
REMARK 3 T TENSOR
REMARK 3 T11: 0.0629 T22: 0.1470
REMARK 3 T33: 0.1786 T12: 0.0530
REMARK 3 T13: -0.0516 T23: -0.0450
REMARK 3 L TENSOR
REMARK 3 L11: 0.3111 L22: 1.0977
REMARK 3 L33: 0.6816 L12: 0.5143
REMARK 3 L13: -0.1310 L23: -0.5556
REMARK 3 S TENSOR
REMARK 3 S11: 0.1843 S12: -0.3477 S13: 0.3570
REMARK 3 S21: 0.2510 S22: -0.3000 S23: 0.6681
REMARK 3 S31: -0.4834 S32: 0.1377 S33: -0.0052
REMARK 3 TLS GROUP : 142
REMARK 3 SELECTION: CHAIN D AND RESID 140:145
REMARK 3 ORIGIN FOR THE GROUP (A): 42.4445 25.9056 31.3085
REMARK 3 T TENSOR
REMARK 3 T11: 0.1764 T22: 0.0604
REMARK 3 T33: 0.1752 T12: -0.0260
REMARK 3 T13: -0.0313 T23: -0.0177
REMARK 3 L TENSOR
REMARK 3 L11: 0.0049 L22: 0.2568
REMARK 3 L33: 0.1582 L12: 0.0781
REMARK 3 L13: -0.0009 L23: 0.1504
REMARK 3 S TENSOR
REMARK 3 S11: -0.1452 S12: -0.0878 S13: 0.2218
REMARK 3 S21: 0.3859 S22: -0.2892 S23: 0.1003
REMARK 3 S31: -0.2313 S32: 0.1031 S33: -0.0013
REMARK 3 TLS GROUP : 143
REMARK 3 SELECTION: CHAIN E AND RESID 140:145
REMARK 3 ORIGIN FOR THE GROUP (A): 21.7996 22.0093 12.7807
REMARK 3 T TENSOR
REMARK 3 T11: 0.0323 T22: 0.0793
REMARK 3 T33: 0.0168 T12: -0.0465
REMARK 3 T13: 0.0823 T23: 0.0018
REMARK 3 L TENSOR
REMARK 3 L11: 3.7216 L22: 4.9683
REMARK 3 L33: 0.2685 L12: -4.1180
REMARK 3 L13: 0.6173 L23: -0.5570
REMARK 3 S TENSOR
REMARK 3 S11: -0.5358 S12: 0.2253 S13: 0.5997
REMARK 3 S21: 0.5926 S22: 0.2095 S23: -0.8043
REMARK 3 S31: 0.0097 S32: 0.1505 S33: -0.1052
REMARK 3 TLS GROUP : 144
REMARK 3 SELECTION: CHAIN F AND RESID 140:145
REMARK 3 ORIGIN FOR THE GROUP (A): -0.5904 75.8560 41.9996
REMARK 3 T TENSOR
REMARK 3 T11: 0.2460 T22: 0.2352
REMARK 3 T33: 0.1233 T12: 0.0239
REMARK 3 T13: -0.0135 T23: 0.0347
REMARK 3 L TENSOR
REMARK 3 L11: 0.1446 L22: 1.2772
REMARK 3 L33: 0.2715 L12: 0.4126
REMARK 3 L13: 0.0095 L23: 0.2189
REMARK 3 S TENSOR
REMARK 3 S11: 0.3051 S12: -0.1901 S13: -0.2143
REMARK 3 S21: 0.9743 S22: -0.3471 S23: -0.1096
REMARK 3 S31: 0.3348 S32: 0.1078 S33: -0.0043
REMARK 3 TLS GROUP : 145
REMARK 3 SELECTION: CHAIN G AND RESID 140:145
REMARK 3 ORIGIN FOR THE GROUP (A): -1.6656 70.9377 14.4761
REMARK 3 T TENSOR
REMARK 3 T11: 0.0723 T22: 0.1489
REMARK 3 T33: 0.1882 T12: -0.0932
REMARK 3 T13: 0.0143 T23: 0.0072
REMARK 3 L TENSOR
REMARK 3 L11: 1.0101 L22: 0.0923
REMARK 3 L33: 0.4640 L12: 0.2642
REMARK 3 L13: -0.7108 L23: -0.1243
REMARK 3 S TENSOR
REMARK 3 S11: -0.1003 S12: -0.0750 S13: 0.0212
REMARK 3 S21: 0.2750 S22: 0.2990 S23: 0.4583
REMARK 3 S31: 0.2800 S32: -0.6428 S33: 0.3645
REMARK 3 TLS GROUP : 146
REMARK 3 SELECTION: CHAIN H AND RESID 140:145
REMARK 3 ORIGIN FOR THE GROUP (A): 24.5057 69.5616 4.6179
REMARK 3 T TENSOR
REMARK 3 T11: 0.0657 T22: 0.1540
REMARK 3 T33: 0.1116 T12: -0.0896
REMARK 3 T13: 0.0217 T23: -0.0167
REMARK 3 L TENSOR
REMARK 3 L11: 0.3146 L22: 0.8125
REMARK 3 L33: 1.9722 L12: -0.2637
REMARK 3 L13: 0.0592 L23: 1.0498
REMARK 3 S TENSOR
REMARK 3 S11: 0.1495 S12: 0.4856 S13: 0.0961
REMARK 3 S21: -0.0996 S22: -0.2778 S23: 0.0188
REMARK 3 S31: 0.4566 S32: -0.7700 S33: 0.0100
REMARK 3 TLS GROUP : 147
REMARK 3 SELECTION: CHAIN I AND RESID 140:145
REMARK 3 ORIGIN FOR THE GROUP (A): 41.9440 73.8036 26.1041
REMARK 3 T TENSOR
REMARK 3 T11: 0.1271 T22: 0.1415
REMARK 3 T33: 0.0975 T12: 0.0291
REMARK 3 T13: 0.0014 T23: -0.0745
REMARK 3 L TENSOR
REMARK 3 L11: 0.0279 L22: 0.4027
REMARK 3 L33: 0.1190 L12: -0.0758
REMARK 3 L13: 0.0774 L23: -0.1338
REMARK 3 S TENSOR
REMARK 3 S11: 0.2203 S12: 0.1365 S13: -0.0137
REMARK 3 S21: -0.6203 S22: -0.4405 S23: 0.0908
REMARK 3 S31: 0.1987 S32: 0.2909 S33: -0.0041
REMARK 3 TLS GROUP : 148
REMARK 3 SELECTION: CHAIN J AND RESID 140:145
REMARK 3 ORIGIN FOR THE GROUP (A): 26.4521 77.4731 49.1667
REMARK 3 T TENSOR
REMARK 3 T11: 0.1826 T22: 0.1456
REMARK 3 T33: 0.0938 T12: 0.0189
REMARK 3 T13: -0.0137 T23: 0.0004
REMARK 3 L TENSOR
REMARK 3 L11: 0.0190 L22: 0.0789
REMARK 3 L33: 0.0681 L12: 0.0261
REMARK 3 L13: -0.0045 L23: 0.0962
REMARK 3 S TENSOR
REMARK 3 S11: 0.0404 S12: -0.2947 S13: -0.5690
REMARK 3 S21: 0.0425 S22: -0.1847 S23: -0.3067
REMARK 3 S31: 0.0268 S32: 0.4128 S33: -0.0003
REMARK 3 TLS GROUP : 149
REMARK 3 SELECTION: CHAIN A AND RESID 147:152
REMARK 3 ORIGIN FOR THE GROUP (A): -7.8229 27.7908 19.5599
REMARK 3 T TENSOR
REMARK 3 T11: 0.0998 T22: 0.3780
REMARK 3 T33: 0.2962 T12: 0.0632
REMARK 3 T13: -0.0220 T23: 0.0232
REMARK 3 L TENSOR
REMARK 3 L11: 0.2583 L22: 0.5276
REMARK 3 L33: 0.7256 L12: -0.1392
REMARK 3 L13: -0.1067 L23: 0.0613
REMARK 3 S TENSOR
REMARK 3 S11: -0.3517 S12: 0.1729 S13: -0.4313
REMARK 3 S21: 0.4071 S22: -0.5726 S23: 0.2806
REMARK 3 S31: -0.2381 S32: -0.8049 S33: -0.0148
REMARK 3 TLS GROUP : 150
REMARK 3 SELECTION: CHAIN B AND RESID 147:152
REMARK 3 ORIGIN FOR THE GROUP (A): -4.5229 34.3263 55.2994
REMARK 3 T TENSOR
REMARK 3 T11: 0.1468 T22: 0.2566
REMARK 3 T33: 0.2039 T12: -0.0361
REMARK 3 T13: 0.0872 T23: -0.0688
REMARK 3 L TENSOR
REMARK 3 L11: 0.1958 L22: 3.5337
REMARK 3 L33: 0.0605 L12: -0.0386
REMARK 3 L13: -0.1290 L23: 0.0053
REMARK 3 S TENSOR
REMARK 3 S11: -0.1221 S12: -0.4009 S13: 0.2188
REMARK 3 S21: 1.3524 S22: 0.4493 S23: -0.0519
REMARK 3 S31: -0.2962 S32: 0.5391 S33: 0.0368
REMARK 3 TLS GROUP : 151
REMARK 3 SELECTION: CHAIN C AND RESID 147:152
REMARK 3 ORIGIN FOR THE GROUP (A): 31.1387 37.1738 62.8455
REMARK 3 T TENSOR
REMARK 3 T11: 0.1982 T22: 0.2314
REMARK 3 T33: 0.1139 T12: 0.0238
REMARK 3 T13: -0.0029 T23: -0.0525
REMARK 3 L TENSOR
REMARK 3 L11: 1.1753 L22: 0.0547
REMARK 3 L33: 0.4538 L12: -0.2499
REMARK 3 L13: -0.1478 L23: 0.0906
REMARK 3 S TENSOR
REMARK 3 S11: 0.6052 S12: -0.3369 S13: 0.3154
REMARK 3 S21: 0.4704 S22: -0.0981 S23: 0.0195
REMARK 3 S31: -0.2323 S32: 0.3404 S33: 0.0242
REMARK 3 TLS GROUP : 152
REMARK 3 SELECTION: CHAIN D AND RESID 147:152
REMARK 3 ORIGIN FOR THE GROUP (A): 49.9122 31.5177 31.9540
REMARK 3 T TENSOR
REMARK 3 T11: 0.0297 T22: 0.1985
REMARK 3 T33: 0.1719 T12: -0.0974
REMARK 3 T13: 0.0013 T23: -0.0544
REMARK 3 L TENSOR
REMARK 3 L11: 0.5950 L22: 5.8011
REMARK 3 L33: 4.7276 L12: -1.3377
REMARK 3 L13: 1.3230 L23: -5.2149
REMARK 3 S TENSOR
REMARK 3 S11: -0.4618 S12: 1.2748 S13: -0.0582
REMARK 3 S21: -0.4584 S22: -0.6032 S23: -1.6233
REMARK 3 S31: 0.3787 S32: 0.3130 S33: -0.2009
REMARK 3 TLS GROUP : 153
REMARK 3 SELECTION: CHAIN E AND RESID 147:152
REMARK 3 ORIGIN FOR THE GROUP (A): 25.6748 25.9503 5.1407
REMARK 3 T TENSOR
REMARK 3 T11: 0.1013 T22: 0.1907
REMARK 3 T33: 0.1344 T12: 0.0013
REMARK 3 T13: -0.0438 T23: -0.0630
REMARK 3 L TENSOR
REMARK 3 L11: 7.1644 L22: 4.4918
REMARK 3 L33: 1.2551 L12: -3.2346
REMARK 3 L13: -1.1719 L23: -0.0326
REMARK 3 S TENSOR
REMARK 3 S11: 1.1372 S12: 0.8748 S13: 0.9770
REMARK 3 S21: -0.9407 S22: -0.2158 S23: -0.6044
REMARK 3 S31: 0.3706 S32: -0.6643 S33: 0.1730
REMARK 3 TLS GROUP : 154
REMARK 3 SELECTION: CHAIN F AND RESID 147:152
REMARK 3 ORIGIN FOR THE GROUP (A): -4.1804 71.8709 49.6597
REMARK 3 T TENSOR
REMARK 3 T11: 0.0971 T22: 0.4399
REMARK 3 T33: 0.2668 T12: 0.0191
REMARK 3 T13: 0.0382 T23: 0.0094
REMARK 3 L TENSOR
REMARK 3 L11: 0.2622 L22: 0.2442
REMARK 3 L33: 0.3201 L12: -0.1927
REMARK 3 L13: -0.1249 L23: -0.0916
REMARK 3 S TENSOR
REMARK 3 S11: -0.1673 S12: 0.2730 S13: 0.3072
REMARK 3 S21: 0.0641 S22: -0.0056 S23: 0.6557
REMARK 3 S31: -0.0206 S32: -0.7580 S33: -0.0006
REMARK 3 TLS GROUP : 155
REMARK 3 SELECTION: CHAIN G AND RESID 147:152
REMARK 3 ORIGIN FOR THE GROUP (A): -9.3043 65.4473 14.0667
REMARK 3 T TENSOR
REMARK 3 T11: 0.1824 T22: 0.2419
REMARK 3 T33: 0.2918 T12: -0.0189
REMARK 3 T13: -0.1119 T23: -0.0415
REMARK 3 L TENSOR
REMARK 3 L11: 1.6109 L22: 0.1817
REMARK 3 L33: 0.9438 L12: 0.2659
REMARK 3 L13: -0.4907 L23: -0.4247
REMARK 3 S TENSOR
REMARK 3 S11: -0.6428 S12: 0.9297 S13: -0.8212
REMARK 3 S21: -0.8073 S22: 0.1167 S23: 0.5144
REMARK 3 S31: -0.7613 S32: -0.2585 S33: -0.0516
REMARK 3 TLS GROUP : 156
REMARK 3 SELECTION: CHAIN H AND RESID 147:152
REMARK 3 ORIGIN FOR THE GROUP (A): 23.4047 62.9867 -2.1222
REMARK 3 T TENSOR
REMARK 3 T11: 0.1440 T22: 0.2035
REMARK 3 T33: 0.1374 T12: 0.0137
REMARK 3 T13: 0.0602 T23: -0.0228
REMARK 3 L TENSOR
REMARK 3 L11: 0.1582 L22: 0.4386
REMARK 3 L33: 0.7615 L12: 0.1433
REMARK 3 L13: -0.1288 L23: 0.3939
REMARK 3 S TENSOR
REMARK 3 S11: 0.4375 S12: 0.1024 S13: 0.4994
REMARK 3 S21: 0.2216 S22: -0.4294 S23: -0.2268
REMARK 3 S31: 0.3532 S32: 0.3346 S33: 0.0049
REMARK 3 TLS GROUP : 157
REMARK 3 SELECTION: CHAIN I AND RESID 147:152
REMARK 3 ORIGIN FOR THE GROUP (A): 49.0130 68.1015 23.6777
REMARK 3 T TENSOR
REMARK 3 T11: 0.0455 T22: 0.2080
REMARK 3 T33: 0.1802 T12: -0.0520
REMARK 3 T13: -0.0334 T23: 0.0582
REMARK 3 L TENSOR
REMARK 3 L11: 5.5979 L22: 6.9107
REMARK 3 L33: 6.8482 L12: -4.0553
REMARK 3 L13: -4.5514 L23: 3.9370
REMARK 3 S TENSOR
REMARK 3 S11: -1.3280 S12: -0.5507 S13: -0.6867
REMARK 3 S21: 0.8223 S22: -0.0543 S23: -0.4642
REMARK 3 S31: 0.5830 S32: 0.1468 S33: -0.7962
REMARK 3 TLS GROUP : 158
REMARK 3 SELECTION: CHAIN J AND RESID 147:152
REMARK 3 ORIGIN FOR THE GROUP (A): 31.9949 73.1955 55.4254
REMARK 3 T TENSOR
REMARK 3 T11: 0.1069 T22: 0.2889
REMARK 3 T33: 0.1029 T12: -0.0223
REMARK 3 T13: 0.0391 T23: 0.0550
REMARK 3 L TENSOR
REMARK 3 L11: 1.3310 L22: 0.9940
REMARK 3 L33: 0.7701 L12: 0.4679
REMARK 3 L13: -0.3083 L23: 0.1958
REMARK 3 S TENSOR
REMARK 3 S11: 0.5110 S12: -1.0380 S13: -0.1573
REMARK 3 S21: 0.5935 S22: -0.0333 S23: 0.1641
REMARK 3 S31: 0.1294 S32: 0.2296 S33: 0.0349
REMARK 3 TLS GROUP : 159
REMARK 3 SELECTION: CHAIN A AND RESID 164:169
REMARK 3 ORIGIN FOR THE GROUP (A): 16.9559 3.8365 14.0447
REMARK 3 T TENSOR
REMARK 3 T11: 0.2225 T22: 0.2327
REMARK 3 T33: 0.2365 T12: -0.0074
REMARK 3 T13: -0.0805 T23: -0.0256
REMARK 3 L TENSOR
REMARK 3 L11: 0.6775 L22: 0.7749
REMARK 3 L33: 1.1757 L12: -0.6349
REMARK 3 L13: 0.3902 L23: -0.8893
REMARK 3 S TENSOR
REMARK 3 S11: -0.0343 S12: 0.5555 S13: -0.6609
REMARK 3 S21: -0.2379 S22: -0.6999 S23: 0.0917
REMARK 3 S31: 0.4889 S32: 0.7785 S33: -0.0270
REMARK 3 TLS GROUP : 160
REMARK 3 SELECTION: CHAIN B AND RESID 164:169
REMARK 3 ORIGIN FOR THE GROUP (A): -5.4610 6.6761 33.8840
REMARK 3 T TENSOR
REMARK 3 T11: 0.2593 T22: 0.3299
REMARK 3 T33: 0.2779 T12: -0.0292
REMARK 3 T13: -0.0291 T23: 0.0014
REMARK 3 L TENSOR
REMARK 3 L11: 0.2195 L22: 0.1493
REMARK 3 L33: 0.0109 L12: 0.1377
REMARK 3 L13: 0.0895 L23: 0.0528
REMARK 3 S TENSOR
REMARK 3 S11: -0.2519 S12: 0.6188 S13: -0.5341
REMARK 3 S21: 0.1734 S22: -0.1760 S23: 0.5447
REMARK 3 S31: 0.1657 S32: -0.5556 S33: -0.0029
REMARK 3 TLS GROUP : 161
REMARK 3 SELECTION: CHAIN C AND RESID 164:169
REMARK 3 ORIGIN FOR THE GROUP (A): 6.5993 12.3594 61.1064
REMARK 3 T TENSOR
REMARK 3 T11: 0.2969 T22: 0.3199
REMARK 3 T33: 0.2107 T12: 0.0421
REMARK 3 T13: 0.0560 T23: 0.0466
REMARK 3 L TENSOR
REMARK 3 L11: 0.0918 L22: 1.5548
REMARK 3 L33: 1.8082 L12: 0.1267
REMARK 3 L13: -0.0421 L23: 1.5034
REMARK 3 S TENSOR
REMARK 3 S11: 0.3269 S12: -0.0588 S13: -0.5333
REMARK 3 S21: 0.1854 S22: -0.9459 S23: -0.0072
REMARK 3 S31: -0.6910 S32: -1.4513 S33: -0.0532
REMARK 3 TLS GROUP : 162
REMARK 3 SELECTION: CHAIN D AND RESID 164:169
REMARK 3 ORIGIN FOR THE GROUP (A): 36.6545 12.5217 58.0168
REMARK 3 T TENSOR
REMARK 3 T11: 0.1612 T22: 0.3361
REMARK 3 T33: 0.2801 T12: -0.0113
REMARK 3 T13: 0.0242 T23: 0.1179
REMARK 3 L TENSOR
REMARK 3 L11: 1.4634 L22: 0.4115
REMARK 3 L33: 0.3895 L12: 0.3306
REMARK 3 L13: -0.3444 L23: -0.4091
REMARK 3 S TENSOR
REMARK 3 S11: -0.2623 S12: -1.4078 S13: 0.0884
REMARK 3 S21: 0.3012 S22: -0.4850 S23: 0.2408
REMARK 3 S31: -0.1416 S32: 0.7270 S33: -0.0061
REMARK 3 TLS GROUP : 163
REMARK 3 SELECTION: CHAIN E AND RESID 164:169
REMARK 3 ORIGIN FOR THE GROUP (A): 43.1675 7.4201 29.0699
REMARK 3 T TENSOR
REMARK 3 T11: 0.1775 T22: 0.2914
REMARK 3 T33: 0.1484 T12: -0.0296
REMARK 3 T13: 0.0343 T23: 0.0278
REMARK 3 L TENSOR
REMARK 3 L11: 0.1926 L22: 0.3470
REMARK 3 L33: 0.2286 L12: -0.1929
REMARK 3 L13: -0.1961 L23: 0.0751
REMARK 3 S TENSOR
REMARK 3 S11: 0.1697 S12: -0.7622 S13: 0.1868
REMARK 3 S21: -0.5281 S22: -0.2190 S23: 0.0685
REMARK 3 S31: 0.0091 S32: 1.0801 S33: 0.0020
REMARK 3 TLS GROUP : 164
REMARK 3 SELECTION: CHAIN F AND RESID 164:169
REMARK 3 ORIGIN FOR THE GROUP (A): 21.4672 95.6569 49.4078
REMARK 3 T TENSOR
REMARK 3 T11: 0.4420 T22: 0.1912
REMARK 3 T33: 0.2332 T12: -0.0528
REMARK 3 T13: 0.0557 T23: 0.0130
REMARK 3 L TENSOR
REMARK 3 L11: 0.2970 L22: 0.0171
REMARK 3 L33: 0.1668 L12: 0.1398
REMARK 3 L13: 0.2615 L23: 0.0643
REMARK 3 S TENSOR
REMARK 3 S11: 0.7422 S12: -0.4140 S13: 0.2399
REMARK 3 S21: 1.1600 S22: -0.4629 S23: 0.3250
REMARK 3 S31: -0.5973 S32: 0.8317 S33: 0.0004
REMARK 3 TLS GROUP : 165
REMARK 3 SELECTION: CHAIN G AND RESID 164:169
REMARK 3 ORIGIN FOR THE GROUP (A): -5.2127 92.8594 35.3197
REMARK 3 T TENSOR
REMARK 3 T11: 0.2069 T22: 0.2404
REMARK 3 T33: 0.2561 T12: 0.0140
REMARK 3 T13: 0.0415 T23: 0.0168
REMARK 3 L TENSOR
REMARK 3 L11: 0.4055 L22: 0.1571
REMARK 3 L33: 0.1320 L12: 0.0233
REMARK 3 L13: -0.2001 L23: -0.0717
REMARK 3 S TENSOR
REMARK 3 S11: 0.2925 S12: -1.2749 S13: 0.4828
REMARK 3 S21: 0.6598 S22: 0.1128 S23: 0.2435
REMARK 3 S31: 0.0360 S32: 0.2187 S33: -0.0016
REMARK 3 TLS GROUP : 166
REMARK 3 SELECTION: CHAIN H AND RESID 164:169
REMARK 3 ORIGIN FOR THE GROUP (A): 0.0551 87.6767 6.0076
REMARK 3 T TENSOR
REMARK 3 T11: 0.2637 T22: 0.3844
REMARK 3 T33: 0.2805 T12: 0.0567
REMARK 3 T13: -0.0862 T23: 0.0043
REMARK 3 L TENSOR
REMARK 3 L11: 0.0808 L22: 0.1551
REMARK 3 L33: 0.4542 L12: -0.1054
REMARK 3 L13: -0.1142 L23: -0.0073
REMARK 3 S TENSOR
REMARK 3 S11: 0.4899 S12: 0.2613 S13: 0.1546
REMARK 3 S21: -0.3220 S22: -0.8870 S23: 0.1046
REMARK 3 S31: -0.0288 S32: -1.2183 S33: -0.0019
REMARK 3 TLS GROUP : 167
REMARK 3 SELECTION: CHAIN I AND RESID 164:169
REMARK 3 ORIGIN FOR THE GROUP (A): 30.0308 87.4045 1.7635
REMARK 3 T TENSOR
REMARK 3 T11: 0.0803 T22: 0.2161
REMARK 3 T33: 0.0794 T12: -0.0015
REMARK 3 T13: 0.0452 T23: -0.0404
REMARK 3 L TENSOR
REMARK 3 L11: 2.4122 L22: 5.5010
REMARK 3 L33: 1.4712 L12: -3.5698
REMARK 3 L13: 0.6984 L23: -1.7351
REMARK 3 S TENSOR
REMARK 3 S11: 0.3542 S12: 1.1640 S13: 0.1300
REMARK 3 S21: -0.7999 S22: -1.1226 S23: -0.2083
REMARK 3 S31: 0.3078 S32: -0.3757 S33: -0.0510
REMARK 3 TLS GROUP : 168
REMARK 3 SELECTION: CHAIN J AND RESID 164:169
REMARK 3 ORIGIN FOR THE GROUP (A): 43.2089 92.2713 28.4253
REMARK 3 T TENSOR
REMARK 3 T11: 0.3052 T22: 0.2256
REMARK 3 T33: 0.1637 T12: 0.0428
REMARK 3 T13: -0.0759 T23: -0.0321
REMARK 3 L TENSOR
REMARK 3 L11: 0.8981 L22: 1.9760
REMARK 3 L33: 3.5331 L12: -0.8720
REMARK 3 L13: 1.2169 L23: -2.6071
REMARK 3 S TENSOR
REMARK 3 S11: 0.4622 S12: 0.7584 S13: -0.4488
REMARK 3 S21: -0.6172 S22: -0.8559 S23: -0.2017
REMARK 3 S31: -0.2231 S32: 1.4589 S33: -0.1368
REMARK 3 TLS GROUP : 169
REMARK 3 SELECTION: CHAIN A AND RESID 171:177
REMARK 3 ORIGIN FOR THE GROUP (A): 5.8064 1.2210 14.8247
REMARK 3 T TENSOR
REMARK 3 T11: 0.1772 T22: 0.2681
REMARK 3 T33: 0.4228 T12: -0.0395
REMARK 3 T13: 0.0424 T23: -0.1063
REMARK 3 L TENSOR
REMARK 3 L11: 0.1276 L22: 0.1312
REMARK 3 L33: 0.1426 L12: -0.0931
REMARK 3 L13: -0.1364 L23: 0.0877
REMARK 3 S TENSOR
REMARK 3 S11: -0.4068 S12: 0.1750 S13: -1.6420
REMARK 3 S21: -0.5035 S22: 0.3202 S23: 0.5393
REMARK 3 S31: 0.1271 S32: -0.3123 S33: -0.0009
REMARK 3 TLS GROUP : 170
REMARK 3 SELECTION: CHAIN B AND RESID 171:177
REMARK 3 ORIGIN FOR THE GROUP (A): -8.4499 6.1098 44.9131
REMARK 3 T TENSOR
REMARK 3 T11: 0.4318 T22: 0.1907
REMARK 3 T33: 0.2126 T12: -0.1070
REMARK 3 T13: 0.0328 T23: 0.0623
REMARK 3 L TENSOR
REMARK 3 L11: 0.1964 L22: 0.8926
REMARK 3 L33: 0.6303 L12: -0.2753
REMARK 3 L13: -0.0230 L23: 0.4885
REMARK 3 S TENSOR
REMARK 3 S11: 0.0629 S12: 0.2691 S13: 0.0742
REMARK 3 S21: -0.1316 S22: 0.3752 S23: 1.0407
REMARK 3 S31: 0.0934 S32: -0.7977 S33: 0.0051
REMARK 3 TLS GROUP : 171
REMARK 3 SELECTION: CHAIN C AND RESID 171:177
REMARK 3 ORIGIN FOR THE GROUP (A): 15.9289 11.3673 67.7175
REMARK 3 T TENSOR
REMARK 3 T11: 0.3409 T22: 0.1806
REMARK 3 T33: 0.2602 T12: 0.0762
REMARK 3 T13: 0.0133 T23: 0.0559
REMARK 3 L TENSOR
REMARK 3 L11: 1.4721 L22: 2.2184
REMARK 3 L33: 0.1333 L12: 1.4302
REMARK 3 L13: 0.3556 L23: 0.5309
REMARK 3 S TENSOR
REMARK 3 S11: 0.1314 S12: -0.3054 S13: 0.1847
REMARK 3 S21: 0.6630 S22: 0.2660 S23: 0.1764
REMARK 3 S31: -0.5540 S32: -0.8548 S33: -0.0094
REMARK 3 TLS GROUP : 172
REMARK 3 SELECTION: CHAIN D AND RESID 171:177
REMARK 3 ORIGIN FOR THE GROUP (A): 45.4542 8.9864 51.7311
REMARK 3 T TENSOR
REMARK 3 T11: 0.1898 T22: 0.2913
REMARK 3 T33: 0.2196 T12: 0.0110
REMARK 3 T13: -0.0357 T23: 0.0139
REMARK 3 L TENSOR
REMARK 3 L11: 0.5942 L22: 1.3615
REMARK 3 L33: 0.2165 L12: 0.2869
REMARK 3 L13: 0.0730 L23: -0.1409
REMARK 3 S TENSOR
REMARK 3 S11: -0.4754 S12: -0.6156 S13: 0.0134
REMARK 3 S21: 1.0909 S22: 0.5193 S23: -1.0261
REMARK 3 S31: 0.0010 S32: 0.1497 S33: 0.0109
REMARK 3 TLS GROUP : 173
REMARK 3 SELECTION: CHAIN E AND RESID 171:177
REMARK 3 ORIGIN FOR THE GROUP (A): 39.3211 2.9551 19.1505
REMARK 3 T TENSOR
REMARK 3 T11: 0.1544 T22: 0.2302
REMARK 3 T33: 0.1379 T12: -0.0412
REMARK 3 T13: 0.0155 T23: -0.0189
REMARK 3 L TENSOR
REMARK 3 L11: 0.3251 L22: 0.2282
REMARK 3 L33: 0.0889 L12: 0.0925
REMARK 3 L13: 0.0031 L23: -0.1555
REMARK 3 S TENSOR
REMARK 3 S11: -0.2792 S12: -0.0770 S13: -0.0006
REMARK 3 S21: -0.1157 S22: 0.2260 S23: -0.5988
REMARK 3 S31: 0.4147 S32: 0.0835 S33: -0.0021
REMARK 3 TLS GROUP : 174
REMARK 3 SELECTION: CHAIN F AND RESID 171:177
REMARK 3 ORIGIN FOR THE GROUP (A): 10.4449 98.3292 51.2763
REMARK 3 T TENSOR
REMARK 3 T11: 0.5143 T22: 0.2208
REMARK 3 T33: 0.3108 T12: 0.0364
REMARK 3 T13: 0.0163 T23: -0.0936
REMARK 3 L TENSOR
REMARK 3 L11: 0.1790 L22: 0.0655
REMARK 3 L33: 0.3371 L12: 0.0588
REMARK 3 L13: 0.2243 L23: -0.0570
REMARK 3 S TENSOR
REMARK 3 S11: -0.2662 S12: -0.3600 S13: 0.1836
REMARK 3 S21: 1.1482 S22: 0.2422 S23: -0.2833
REMARK 3 S31: -0.1987 S32: 0.0847 S33: -0.0008
REMARK 3 TLS GROUP : 175
REMARK 3 SELECTION: CHAIN G AND RESID 171:177
REMARK 3 ORIGIN FOR THE GROUP (A): -10.7573 93.5768 25.3344
REMARK 3 T TENSOR
REMARK 3 T11: 0.2063 T22: 0.3497
REMARK 3 T33: 0.3696 T12: 0.0719
REMARK 3 T13: -0.0845 T23: -0.0616
REMARK 3 L TENSOR
REMARK 3 L11: 0.1258 L22: 0.2430
REMARK 3 L33: 0.4762 L12: -0.0046
REMARK 3 L13: 0.0687 L23: -0.1206
REMARK 3 S TENSOR
REMARK 3 S11: 0.3625 S12: 0.1204 S13: -0.2339
REMARK 3 S21: -0.7106 S22: -0.2345 S23: 0.8870
REMARK 3 S31: 0.7015 S32: -0.3338 S33: 0.0003
REMARK 3 TLS GROUP : 176
REMARK 3 SELECTION: CHAIN H AND RESID 171:177
REMARK 3 ORIGIN FOR THE GROUP (A): 7.5387 88.7919 -2.6615
REMARK 3 T TENSOR
REMARK 3 T11: 0.1612 T22: 0.3676
REMARK 3 T33: 0.3073 T12: 0.0005
REMARK 3 T13: -0.0581 T23: -0.0014
REMARK 3 L TENSOR
REMARK 3 L11: 0.3345 L22: 4.3295
REMARK 3 L33: 0.7979 L12: -0.4514
REMARK 3 L13: -0.4192 L23: -0.6737
REMARK 3 S TENSOR
REMARK 3 S11: 0.0509 S12: 0.4827 S13: -0.1117
REMARK 3 S21: -0.7767 S22: 0.1573 S23: 0.5690
REMARK 3 S31: 0.1262 S32: -0.7255 S33: 0.0219
REMARK 3 TLS GROUP : 177
REMARK 3 SELECTION: CHAIN I AND RESID 171:177
REMARK 3 ORIGIN FOR THE GROUP (A): 40.1448 90.8626 5.8714
REMARK 3 T TENSOR
REMARK 3 T11: 0.2339 T22: 0.2187
REMARK 3 T33: 0.1848 T12: -0.0531
REMARK 3 T13: 0.0779 T23: -0.0311
REMARK 3 L TENSOR
REMARK 3 L11: 0.0171 L22: 0.4357
REMARK 3 L33: 0.5179 L12: -0.0348
REMARK 3 L13: 0.1111 L23: 0.3635
REMARK 3 S TENSOR
REMARK 3 S11: -0.5576 S12: 0.2734 S13: 0.2649
REMARK 3 S21: -0.1946 S22: 0.7458 S23: -0.7003
REMARK 3 S31: -0.1043 S32: 0.6655 S33: 0.0086
REMARK 3 TLS GROUP : 178
REMARK 3 SELECTION: CHAIN J AND RESID 171:177
REMARK 3 ORIGIN FOR THE GROUP (A): 41.8594 96.7271 39.0259
REMARK 3 T TENSOR
REMARK 3 T11: 0.2146 T22: 0.1590
REMARK 3 T33: 0.1193 T12: -0.0315
REMARK 3 T13: 0.0676 T23: -0.0379
REMARK 3 L TENSOR
REMARK 3 L11: 0.6009 L22: 5.6204
REMARK 3 L33: 3.5538 L12: 1.8229
REMARK 3 L13: -1.1549 L23: -3.3562
REMARK 3 S TENSOR
REMARK 3 S11: 0.2984 S12: -0.0183 S13: -0.8514
REMARK 3 S21: 1.1207 S22: -0.1891 S23: -1.0418
REMARK 3 S31: -0.4822 S32: 0.8700 S33: -0.1684
REMARK 3 TLS GROUP : 179
REMARK 3 SELECTION: CHAIN A AND RESID 191:195
REMARK 3 ORIGIN FOR THE GROUP (A): -7.6912 20.4579 21.8636
REMARK 3 T TENSOR
REMARK 3 T11: 0.1518 T22: 0.3603
REMARK 3 T33: 0.2699 T12: -0.0246
REMARK 3 T13: -0.0306 T23: 0.0600
REMARK 3 L TENSOR
REMARK 3 L11: 0.6099 L22: 0.7534
REMARK 3 L33: 1.5689 L12: -0.4487
REMARK 3 L13: -0.8914 L23: 0.1875
REMARK 3 S TENSOR
REMARK 3 S11: -0.3596 S12: -0.3169 S13: -0.7733
REMARK 3 S21: 0.2316 S22: 0.2616 S23: -0.0127
REMARK 3 S31: 1.1464 S32: -0.5667 S33: -0.0389
REMARK 3 TLS GROUP : 180
REMARK 3 SELECTION: CHAIN B AND RESID 191:195
REMARK 3 ORIGIN FOR THE GROUP (A): -3.3569 26.9710 57.0449
REMARK 3 T TENSOR
REMARK 3 T11: 0.1879 T22: 0.5091
REMARK 3 T33: 0.0964 T12: 0.0683
REMARK 3 T13: 0.0580 T23: -0.0010
REMARK 3 L TENSOR
REMARK 3 L11: 0.7066 L22: 0.8524
REMARK 3 L33: 1.3650 L12: -0.5159
REMARK 3 L13: 0.8297 L23: -0.5597
REMARK 3 S TENSOR
REMARK 3 S11: -0.1049 S12: -0.6802 S13: -0.5992
REMARK 3 S21: -0.2643 S22: -0.3450 S23: 0.6701
REMARK 3 S31: 1.0662 S32: -0.4912 S33: 0.0504
REMARK 3 TLS GROUP : 181
REMARK 3 SELECTION: CHAIN C AND RESID 191:195
REMARK 3 ORIGIN FOR THE GROUP (A): 32.0705 29.6185 63.6075
REMARK 3 T TENSOR
REMARK 3 T11: 0.0332 T22: 0.2793
REMARK 3 T33: 0.1413 T12: 0.0633
REMARK 3 T13: -0.0027 T23: 0.0592
REMARK 3 L TENSOR
REMARK 3 L11: 1.5560 L22: 0.9514
REMARK 3 L33: 1.0722 L12: 1.0075
REMARK 3 L13: -0.2017 L23: -0.2880
REMARK 3 S TENSOR
REMARK 3 S11: -0.0729 S12: -0.3365 S13: -0.6251
REMARK 3 S21: -0.0498 S22: -0.2115 S23: -0.3915
REMARK 3 S31: 0.3980 S32: 0.2863 S33: -0.1521
REMARK 3 TLS GROUP : 182
REMARK 3 SELECTION: CHAIN D AND RESID 191:195
REMARK 3 ORIGIN FOR THE GROUP (A): 49.5905 23.9093 32.5960
REMARK 3 T TENSOR
REMARK 3 T11: -0.0935 T22: 0.2803
REMARK 3 T33: 0.2750 T12: -0.0991
REMARK 3 T13: -0.0561 T23: 0.0110
REMARK 3 L TENSOR
REMARK 3 L11: 0.0754 L22: 1.2734
REMARK 3 L33: 3.9179 L12: -0.3274
REMARK 3 L13: -0.1933 L23: 1.1035
REMARK 3 S TENSOR
REMARK 3 S11: -0.2568 S12: -0.0393 S13: -0.7337
REMARK 3 S21: 0.6721 S22: 0.0395 S23: 0.1110
REMARK 3 S31: 0.7066 S32: 1.1520 S33: -0.0623
REMARK 3 TLS GROUP : 183
REMARK 3 SELECTION: CHAIN E AND RESID 191:195
REMARK 3 ORIGIN FOR THE GROUP (A): 24.7060 18.5054 6.8041
REMARK 3 T TENSOR
REMARK 3 T11: 0.2817 T22: 0.1712
REMARK 3 T33: 0.1235 T12: 0.0354
REMARK 3 T13: 0.0094 T23: -0.0154
REMARK 3 L TENSOR
REMARK 3 L11: 0.1003 L22: 0.1458
REMARK 3 L33: 0.1172 L12: 0.0414
REMARK 3 L13: -0.0419 L23: -0.1799
REMARK 3 S TENSOR
REMARK 3 S11: 0.0932 S12: 0.3894 S13: -0.0095
REMARK 3 S21: 0.4588 S22: -0.5456 S23: -0.3407
REMARK 3 S31: 0.3254 S32: 0.3910 S33: -0.0031
REMARK 3 TLS GROUP : 184
REMARK 3 SELECTION: CHAIN F AND RESID 191:195
REMARK 3 ORIGIN FOR THE GROUP (A): -4.6031 79.1862 47.4730
REMARK 3 T TENSOR
REMARK 3 T11: 0.0217 T22: 0.4691
REMARK 3 T33: 0.0442 T12: 0.2270
REMARK 3 T13: 0.3389 T23: 0.1365
REMARK 3 L TENSOR
REMARK 3 L11: 2.9890 L22: 2.6905
REMARK 3 L33: 0.4549 L12: -2.8253
REMARK 3 L13: 1.1741 L23: -1.0989
REMARK 3 S TENSOR
REMARK 3 S11: -0.0210 S12: 0.3964 S13: 1.7629
REMARK 3 S21: 0.6578 S22: -0.5406 S23: -0.9152
REMARK 3 S31: -0.6261 S32: -0.1443 S33: -0.3819
REMARK 3 TLS GROUP : 185
REMARK 3 SELECTION: CHAIN G AND RESID 191:195
REMARK 3 ORIGIN FOR THE GROUP (A): -8.4879 72.8173 12.1420
REMARK 3 T TENSOR
REMARK 3 T11: 0.2888 T22: 0.2527
REMARK 3 T33: 0.2389 T12: 0.0061
REMARK 3 T13: 0.0024 T23: -0.0905
REMARK 3 L TENSOR
REMARK 3 L11: -0.0092 L22: 0.0001
REMARK 3 L33: 0.0948 L12: -0.0114
REMARK 3 L13: 0.0009 L23: 0.0354
REMARK 3 S TENSOR
REMARK 3 S11: -0.1302 S12: 0.3644 S13: 0.8580
REMARK 3 S21: -0.2371 S22: 0.1557 S23: -0.2581
REMARK 3 S31: -0.9735 S32: -0.2175 S33: -0.0024
REMARK 3 TLS GROUP : 186
REMARK 3 SELECTION: CHAIN H AND RESID 191:195
REMARK 3 ORIGIN FOR THE GROUP (A): 24.0573 70.5975 -2.9120
REMARK 3 T TENSOR
REMARK 3 T11: 0.1560 T22: 0.2581
REMARK 3 T33: 0.1130 T12: 0.0123
REMARK 3 T13: -0.0063 T23: -0.0263
REMARK 3 L TENSOR
REMARK 3 L11: 0.7828 L22: 0.0913
REMARK 3 L33: 0.0967 L12: 0.2652
REMARK 3 L13: -0.2803 L23: -0.1071
REMARK 3 S TENSOR
REMARK 3 S11: 0.1691 S12: 0.6284 S13: 0.6561
REMARK 3 S21: -0.1496 S22: 0.5386 S23: 0.6856
REMARK 3 S31: 0.0151 S32: -0.5143 S33: 0.0052
REMARK 3 TLS GROUP : 187
REMARK 3 SELECTION: CHAIN I AND RESID 191:195
REMARK 3 ORIGIN FOR THE GROUP (A): 48.5786 75.7276 23.3355
REMARK 3 T TENSOR
REMARK 3 T11: 0.1787 T22: 0.2492
REMARK 3 T33: 0.2567 T12: -0.0292
REMARK 3 T13: 0.0518 T23: 0.0108
REMARK 3 L TENSOR
REMARK 3 L11: 0.0164 L22: 0.2045
REMARK 3 L33: 0.3035 L12: -0.0477
REMARK 3 L13: -0.0081 L23: -0.1985
REMARK 3 S TENSOR
REMARK 3 S11: 0.2938 S12: 0.3317 S13: 0.4080
REMARK 3 S21: 0.5261 S22: -0.3204 S23: 1.0096
REMARK 3 S31: -0.4718 S32: 0.7168 S33: 0.0005
REMARK 3 TLS GROUP : 188
REMARK 3 SELECTION: CHAIN J AND RESID 191:195
REMARK 3 ORIGIN FOR THE GROUP (A): 30.8929 80.7590 54.2415
REMARK 3 T TENSOR
REMARK 3 T11: 0.2262 T22: 0.2417
REMARK 3 T33: 0.0989 T12: -0.0019
REMARK 3 T13: -0.0189 T23: -0.0001
REMARK 3 L TENSOR
REMARK 3 L11: 0.8054 L22: 0.0970
REMARK 3 L33: 1.6100 L12: 0.1651
REMARK 3 L13: -0.8199 L23: -0.0778
REMARK 3 S TENSOR
REMARK 3 S11: -0.0094 S12: -0.4674 S13: 0.3831
REMARK 3 S21: -0.4284 S22: -0.2652 S23: 0.3083
REMARK 3 S31: -1.4032 S32: 0.1599 S33: 0.0113
REMARK 3 TLS GROUP : 189
REMARK 3 SELECTION: CHAIN A AND RESID 197:203
REMARK 3 ORIGIN FOR THE GROUP (A): 4.6472 0.4202 18.4975
REMARK 3 T TENSOR
REMARK 3 T11: 0.3074 T22: 0.2883
REMARK 3 T33: 0.3010 T12: -0.0840
REMARK 3 T13: 0.0287 T23: -0.0850
REMARK 3 L TENSOR
REMARK 3 L11: 0.0949 L22: 0.0755
REMARK 3 L33: 0.7228 L12: -0.0390
REMARK 3 L13: -0.1547 L23: 0.0962
REMARK 3 S TENSOR
REMARK 3 S11: 0.1307 S12: 0.5682 S13: -0.5595
REMARK 3 S21: 0.5102 S22: -0.3558 S23: -0.3167
REMARK 3 S31: 0.6301 S32: -0.3642 S33: -0.0010
REMARK 3 TLS GROUP : 190
REMARK 3 SELECTION: CHAIN B AND RESID 197:203
REMARK 3 ORIGIN FOR THE GROUP (A): -5.4765 5.2323 47.3725
REMARK 3 T TENSOR
REMARK 3 T11: 0.1756 T22: 0.2336
REMARK 3 T33: 0.3081 T12: -0.0361
REMARK 3 T13: 0.0314 T23: 0.0624
REMARK 3 L TENSOR
REMARK 3 L11: 0.4549 L22: 0.1737
REMARK 3 L33: 2.3178 L12: -0.2244
REMARK 3 L13: 0.6585 L23: -0.6335
REMARK 3 S TENSOR
REMARK 3 S11: 0.2661 S12: 0.0968 S13: -0.1274
REMARK 3 S21: -0.2246 S22: 0.0082 S23: -0.3285
REMARK 3 S31: 0.6562 S32: -0.3514 S33: 0.0530
REMARK 3 TLS GROUP : 191
REMARK 3 SELECTION: CHAIN C AND RESID 197:203
REMARK 3 ORIGIN FOR THE GROUP (A): 19.0001 9.6318 65.8711
REMARK 3 T TENSOR
REMARK 3 T11: 0.2452 T22: 0.1972
REMARK 3 T33: 0.1448 T12: -0.0517
REMARK 3 T13: -0.0532 T23: 0.0821
REMARK 3 L TENSOR
REMARK 3 L11: 0.4799 L22: 1.4305
REMARK 3 L33: 0.2188 L12: -0.1378
REMARK 3 L13: 0.3172 L23: -0.1413
REMARK 3 S TENSOR
REMARK 3 S11: -0.4811 S12: 0.0241 S13: -0.3136
REMARK 3 S21: 0.5412 S22: 0.8343 S23: -0.5524
REMARK 3 S31: 0.0053 S32: -0.1433 S33: 0.0237
REMARK 3 TLS GROUP : 192
REMARK 3 SELECTION: CHAIN D AND RESID 197:203
REMARK 3 ORIGIN FOR THE GROUP (A): 44.4038 6.9237 48.5414
REMARK 3 T TENSOR
REMARK 3 T11: 0.3520 T22: 0.2276
REMARK 3 T33: 0.1084 T12: 0.0365
REMARK 3 T13: -0.0518 T23: 0.0803
REMARK 3 L TENSOR
REMARK 3 L11: 0.5505 L22: 0.2317
REMARK 3 L33: 0.4256 L12: -0.1267
REMARK 3 L13: 0.0141 L23: 0.2467
REMARK 3 S TENSOR
REMARK 3 S11: -0.1196 S12: -0.0170 S13: 0.0404
REMARK 3 S21: 0.0051 S22: 0.0929 S23: -0.3161
REMARK 3 S31: 0.4771 S32: -0.1068 S33: 0.0007
REMARK 3 TLS GROUP : 193
REMARK 3 SELECTION: CHAIN E AND RESID 197:203
REMARK 3 ORIGIN FOR THE GROUP (A): 35.6577 1.3849 19.3348
REMARK 3 T TENSOR
REMARK 3 T11: 0.0791 T22: 0.0687
REMARK 3 T33: -0.1129 T12: 0.1352
REMARK 3 T13: 0.2216 T23: -0.0439
REMARK 3 L TENSOR
REMARK 3 L11: 6.0583 L22: 1.0519
REMARK 3 L33: 3.0082 L12: 0.6056
REMARK 3 L13: 4.0390 L23: 0.8566
REMARK 3 S TENSOR
REMARK 3 S11: 1.0089 S12: 0.0881 S13: -1.1212
REMARK 3 S21: 0.3154 S22: -0.1132 S23: 0.1257
REMARK 3 S31: 0.3105 S32: 0.4497 S33: 0.8085
REMARK 3 TLS GROUP : 194
REMARK 3 SELECTION: CHAIN F AND RESID 197:203
REMARK 3 ORIGIN FOR THE GROUP (A): 8.4234 99.1823 47.9078
REMARK 3 T TENSOR
REMARK 3 T11: 0.3464 T22: 0.0540
REMARK 3 T33: 0.1241 T12: 0.0915
REMARK 3 T13: 0.0869 T23: -0.2209
REMARK 3 L TENSOR
REMARK 3 L11: 2.8290 L22: 0.8986
REMARK 3 L33: 3.4003 L12: -1.1907
REMARK 3 L13: 2.6165 L23: -0.7497
REMARK 3 S TENSOR
REMARK 3 S11: -0.2185 S12: -0.5569 S13: 1.0498
REMARK 3 S21: -0.3237 S22: -0.6072 S23: -0.0073
REMARK 3 S31: -0.9518 S32: 0.0889 S33: -0.4137
REMARK 3 TLS GROUP : 195
REMARK 3 SELECTION: CHAIN G AND RESID 197:203
REMARK 3 ORIGIN FOR THE GROUP (A): -8.4375 94.4811 22.2799
REMARK 3 T TENSOR
REMARK 3 T11: 0.0657 T22: 0.2282
REMARK 3 T33: 0.4465 T12: 0.0621
REMARK 3 T13: -0.0334 T23: -0.0305
REMARK 3 L TENSOR
REMARK 3 L11: 0.0232 L22: 2.2020
REMARK 3 L33: 6.7004 L12: 0.2594
REMARK 3 L13: -0.4668 L23: -3.6935
REMARK 3 S TENSOR
REMARK 3 S11: 0.0817 S12: -0.3872 S13: 0.0768
REMARK 3 S21: 0.3550 S22: -0.0844 S23: -0.3426
REMARK 3 S31: -0.5182 S32: 0.0733 S33: -0.0564
REMARK 3 TLS GROUP : 196
REMARK 3 SELECTION: CHAIN H AND RESID 197:203
REMARK 3 ORIGIN FOR THE GROUP (A): 10.9889 90.4578 -1.6217
REMARK 3 T TENSOR
REMARK 3 T11: 0.1569 T22: 0.2186
REMARK 3 T33: 0.1579 T12: 0.0199
REMARK 3 T13: -0.0098 T23: 0.0504
REMARK 3 L TENSOR
REMARK 3 L11: 1.7151 L22: 0.2277
REMARK 3 L33: 0.8543 L12: 0.5823
REMARK 3 L13: 0.2665 L23: -0.1037
REMARK 3 S TENSOR
REMARK 3 S11: -0.3465 S12: 0.0569 S13: 0.6004
REMARK 3 S21: -0.6055 S22: 0.3105 S23: -0.1995
REMARK 3 S31: -0.2016 S32: -0.2107 S33: -0.0186
REMARK 3 TLS GROUP : 197
REMARK 3 SELECTION: CHAIN I AND RESID 197:203
REMARK 3 ORIGIN FOR THE GROUP (A): 39.8835 92.9620 9.2083
REMARK 3 T TENSOR
REMARK 3 T11: 0.1845 T22: 0.2357
REMARK 3 T33: 0.1098 T12: -0.0646
REMARK 3 T13: 0.0320 T23: -0.0074
REMARK 3 L TENSOR
REMARK 3 L11: 0.8532 L22: 0.7185
REMARK 3 L33: 1.4691 L12: -0.0204
REMARK 3 L13: 0.8477 L23: -0.3428
REMARK 3 S TENSOR
REMARK 3 S11: -0.6066 S12: 0.0573 S13: -0.1820
REMARK 3 S21: 0.3270 S22: 0.6285 S23: 0.1131
REMARK 3 S31: -0.6738 S32: -0.0836 S33: -0.0250
REMARK 3 TLS GROUP : 198
REMARK 3 SELECTION: CHAIN J AND RESID 197:203
REMARK 3 ORIGIN FOR THE GROUP (A): 38.2647 98.2347 39.7166
REMARK 3 T TENSOR
REMARK 3 T11: 0.3003 T22: 0.1171
REMARK 3 T33: 0.1182 T12: -0.1323
REMARK 3 T13: -0.0914 T23: 0.0195
REMARK 3 L TENSOR
REMARK 3 L11: 0.6882 L22: 0.2608
REMARK 3 L33: 0.2279 L12: -0.0771
REMARK 3 L13: -0.1976 L23: 0.1095
REMARK 3 S TENSOR
REMARK 3 S11: -0.0209 S12: 0.0094 S13: -0.0518
REMARK 3 S21: 0.0113 S22: 0.0033 S23: 0.2452
REMARK 3 S31: -0.6517 S32: 0.3365 S33: 0.0021
REMARK 3
REMARK 3 NCS DETAILS
REMARK 3 NUMBER OF NCS GROUPS : 20
REMARK 3 NCS GROUP : 1
REMARK 3 NCS OPERATOR : 1
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 1:11
REMARK 3 SELECTION : CHAIN B AND RESID 1:11
REMARK 3 ATOM PAIRS NUMBER : 95
REMARK 3 RMSD : 0.032
REMARK 3 NCS OPERATOR : 2
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 1:11
REMARK 3 SELECTION : CHAIN C AND RESID 1:11
REMARK 3 ATOM PAIRS NUMBER : 95
REMARK 3 RMSD : 0.028
REMARK 3 NCS OPERATOR : 3
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 1:11
REMARK 3 SELECTION : CHAIN D AND RESID 1:11
REMARK 3 ATOM PAIRS NUMBER : 95
REMARK 3 RMSD : 0.029
REMARK 3 NCS OPERATOR : 4
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 1:11
REMARK 3 SELECTION : CHAIN E AND RESID 1:11
REMARK 3 ATOM PAIRS NUMBER : 95
REMARK 3 RMSD : 0.031
REMARK 3 NCS OPERATOR : 5
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 1:11
REMARK 3 SELECTION : CHAIN F AND RESID 1:11
REMARK 3 ATOM PAIRS NUMBER : 95
REMARK 3 RMSD : 0.031
REMARK 3 NCS OPERATOR : 6
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 1:11
REMARK 3 SELECTION : CHAIN G AND RESID 1:11
REMARK 3 ATOM PAIRS NUMBER : 95
REMARK 3 RMSD : 0.030
REMARK 3 NCS OPERATOR : 7
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 1:11
REMARK 3 SELECTION : CHAIN H AND RESID 1:11
REMARK 3 ATOM PAIRS NUMBER : 95
REMARK 3 RMSD : 0.031
REMARK 3 NCS OPERATOR : 8
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 1:11
REMARK 3 SELECTION : CHAIN I AND RESID 1:11
REMARK 3 ATOM PAIRS NUMBER : 95
REMARK 3 RMSD : 0.028
REMARK 3 NCS OPERATOR : 9
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 1:11
REMARK 3 SELECTION : CHAIN J AND RESID 1:11
REMARK 3 ATOM PAIRS NUMBER : 95
REMARK 3 RMSD : 0.033
REMARK 3 NCS GROUP : 2
REMARK 3 NCS OPERATOR : 1
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 16:20
REMARK 3 SELECTION : CHAIN B AND RESID 16:20
REMARK 3 ATOM PAIRS NUMBER : 37
REMARK 3 RMSD : 0.026
REMARK 3 NCS OPERATOR : 2
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 16:20
REMARK 3 SELECTION : CHAIN C AND RESID 16:20
REMARK 3 ATOM PAIRS NUMBER : 37
REMARK 3 RMSD : 0.032
REMARK 3 NCS OPERATOR : 3
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 16:20
REMARK 3 SELECTION : CHAIN D AND RESID 16:20
REMARK 3 ATOM PAIRS NUMBER : 37
REMARK 3 RMSD : 0.038
REMARK 3 NCS OPERATOR : 4
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 16:20
REMARK 3 SELECTION : CHAIN E AND RESID 16:20
REMARK 3 ATOM PAIRS NUMBER : 37
REMARK 3 RMSD : 0.030
REMARK 3 NCS OPERATOR : 5
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 16:20
REMARK 3 SELECTION : CHAIN F AND RESID 16:20
REMARK 3 ATOM PAIRS NUMBER : 37
REMARK 3 RMSD : 0.027
REMARK 3 NCS OPERATOR : 6
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 16:20
REMARK 3 SELECTION : CHAIN G AND RESID 16:20
REMARK 3 ATOM PAIRS NUMBER : 37
REMARK 3 RMSD : 0.027
REMARK 3 NCS OPERATOR : 7
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 16:20
REMARK 3 SELECTION : CHAIN H AND RESID 16:20
REMARK 3 ATOM PAIRS NUMBER : 37
REMARK 3 RMSD : 0.027
REMARK 3 NCS OPERATOR : 8
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 16:20
REMARK 3 SELECTION : CHAIN I AND RESID 16:20
REMARK 3 ATOM PAIRS NUMBER : 37
REMARK 3 RMSD : 0.029
REMARK 3 NCS OPERATOR : 9
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 16:20
REMARK 3 SELECTION : CHAIN J AND RESID 16:20
REMARK 3 ATOM PAIRS NUMBER : 37
REMARK 3 RMSD : 0.037
REMARK 3 NCS GROUP : 3
REMARK 3 NCS OPERATOR : 1
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 26:30
REMARK 3 SELECTION : CHAIN B AND RESID 26:30
REMARK 3 ATOM PAIRS NUMBER : 32
REMARK 3 RMSD : 0.038
REMARK 3 NCS OPERATOR : 2
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 26:30
REMARK 3 SELECTION : CHAIN C AND RESID 26:30
REMARK 3 ATOM PAIRS NUMBER : 32
REMARK 3 RMSD : 0.045
REMARK 3 NCS OPERATOR : 3
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 26:30
REMARK 3 SELECTION : CHAIN D AND RESID 26:30
REMARK 3 ATOM PAIRS NUMBER : 32
REMARK 3 RMSD : 0.041
REMARK 3 NCS OPERATOR : 4
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 26:30
REMARK 3 SELECTION : CHAIN E AND RESID 26:30
REMARK 3 ATOM PAIRS NUMBER : 32
REMARK 3 RMSD : 0.038
REMARK 3 NCS OPERATOR : 5
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 26:30
REMARK 3 SELECTION : CHAIN F AND RESID 26:30
REMARK 3 ATOM PAIRS NUMBER : 32
REMARK 3 RMSD : 0.030
REMARK 3 NCS OPERATOR : 6
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 26:30
REMARK 3 SELECTION : CHAIN G AND RESID 26:30
REMARK 3 ATOM PAIRS NUMBER : 32
REMARK 3 RMSD : 0.035
REMARK 3 NCS OPERATOR : 7
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 26:30
REMARK 3 SELECTION : CHAIN H AND RESID 26:30
REMARK 3 ATOM PAIRS NUMBER : 32
REMARK 3 RMSD : 0.038
REMARK 3 NCS OPERATOR : 8
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 26:30
REMARK 3 SELECTION : CHAIN I AND RESID 26:30
REMARK 3 ATOM PAIRS NUMBER : 32
REMARK 3 RMSD : 0.034
REMARK 3 NCS OPERATOR : 9
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 26:30
REMARK 3 SELECTION : CHAIN J AND RESID 26:30
REMARK 3 ATOM PAIRS NUMBER : 32
REMARK 3 RMSD : 0.033
REMARK 3 NCS GROUP : 4
REMARK 3 NCS OPERATOR : 1
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 33:42
REMARK 3 SELECTION : CHAIN B AND RESID 33:42
REMARK 3 ATOM PAIRS NUMBER : 84
REMARK 3 RMSD : 0.035
REMARK 3 NCS OPERATOR : 2
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 33:42
REMARK 3 SELECTION : CHAIN C AND RESID 33:42
REMARK 3 ATOM PAIRS NUMBER : 84
REMARK 3 RMSD : 0.041
REMARK 3 NCS OPERATOR : 3
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 33:42
REMARK 3 SELECTION : CHAIN D AND RESID 33:42
REMARK 3 ATOM PAIRS NUMBER : 84
REMARK 3 RMSD : 0.047
REMARK 3 NCS OPERATOR : 4
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 33:42
REMARK 3 SELECTION : CHAIN E AND RESID 33:42
REMARK 3 ATOM PAIRS NUMBER : 84
REMARK 3 RMSD : 0.041
REMARK 3 NCS OPERATOR : 5
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 33:42
REMARK 3 SELECTION : CHAIN F AND RESID 33:42
REMARK 3 ATOM PAIRS NUMBER : 84
REMARK 3 RMSD : 0.033
REMARK 3 NCS OPERATOR : 6
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 33:42
REMARK 3 SELECTION : CHAIN G AND RESID 33:42
REMARK 3 ATOM PAIRS NUMBER : 84
REMARK 3 RMSD : 0.036
REMARK 3 NCS OPERATOR : 7
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 33:42
REMARK 3 SELECTION : CHAIN H AND RESID 33:42
REMARK 3 ATOM PAIRS NUMBER : 84
REMARK 3 RMSD : 0.038
REMARK 3 NCS OPERATOR : 8
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 33:42
REMARK 3 SELECTION : CHAIN I AND RESID 33:42
REMARK 3 ATOM PAIRS NUMBER : 84
REMARK 3 RMSD : 0.048
REMARK 3 NCS OPERATOR : 9
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 33:42
REMARK 3 SELECTION : CHAIN J AND RESID 33:42
REMARK 3 ATOM PAIRS NUMBER : 84
REMARK 3 RMSD : 0.043
REMARK 3 NCS GROUP : 5
REMARK 3 NCS OPERATOR : 1
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 43
REMARK 3 SELECTION : CHAIN B AND RESID 43
REMARK 3 ATOM PAIRS NUMBER : 9
REMARK 3 RMSD : 0.032
REMARK 3 NCS OPERATOR : 2
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 43
REMARK 3 SELECTION : CHAIN C AND RESID 43
REMARK 3 ATOM PAIRS NUMBER : 9
REMARK 3 RMSD : 0.034
REMARK 3 NCS OPERATOR : 3
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 43
REMARK 3 SELECTION : CHAIN E AND RESID 43
REMARK 3 ATOM PAIRS NUMBER : 9
REMARK 3 RMSD : 0.035
REMARK 3 NCS OPERATOR : 4
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 43
REMARK 3 SELECTION : CHAIN F AND RESID 43
REMARK 3 ATOM PAIRS NUMBER : 9
REMARK 3 RMSD : 0.022
REMARK 3 NCS OPERATOR : 5
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 43
REMARK 3 SELECTION : CHAIN G AND RESID 43
REMARK 3 ATOM PAIRS NUMBER : 9
REMARK 3 RMSD : 0.027
REMARK 3 NCS OPERATOR : 6
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 43
REMARK 3 SELECTION : CHAIN H AND RESID 43
REMARK 3 ATOM PAIRS NUMBER : 9
REMARK 3 RMSD : 0.030
REMARK 3 NCS OPERATOR : 7
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 43
REMARK 3 SELECTION : CHAIN J AND RESID 43
REMARK 3 ATOM PAIRS NUMBER : 9
REMARK 3 RMSD : 0.036
REMARK 3 NCS GROUP : 6
REMARK 3 NCS OPERATOR : 1
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 45:49
REMARK 3 SELECTION : CHAIN B AND RESID 45:49
REMARK 3 ATOM PAIRS NUMBER : 39
REMARK 3 RMSD : 0.030
REMARK 3 NCS OPERATOR : 2
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 45:49
REMARK 3 SELECTION : CHAIN C AND RESID 45:49
REMARK 3 ATOM PAIRS NUMBER : 39
REMARK 3 RMSD : 0.037
REMARK 3 NCS OPERATOR : 3
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 45:49
REMARK 3 SELECTION : CHAIN D AND RESID 45:49
REMARK 3 ATOM PAIRS NUMBER : 39
REMARK 3 RMSD : 0.045
REMARK 3 NCS OPERATOR : 4
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 45:49
REMARK 3 SELECTION : CHAIN E AND RESID 45:49
REMARK 3 ATOM PAIRS NUMBER : 39
REMARK 3 RMSD : 0.032
REMARK 3 NCS OPERATOR : 5
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 45:49
REMARK 3 SELECTION : CHAIN F AND RESID 45:49
REMARK 3 ATOM PAIRS NUMBER : 39
REMARK 3 RMSD : 0.030
REMARK 3 NCS OPERATOR : 6
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 45:49
REMARK 3 SELECTION : CHAIN G AND RESID 45:49
REMARK 3 ATOM PAIRS NUMBER : 39
REMARK 3 RMSD : 0.027
REMARK 3 NCS OPERATOR : 7
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 45:49
REMARK 3 SELECTION : CHAIN H AND RESID 45:49
REMARK 3 ATOM PAIRS NUMBER : 39
REMARK 3 RMSD : 0.034
REMARK 3 NCS OPERATOR : 8
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 45:49
REMARK 3 SELECTION : CHAIN I AND RESID 45:49
REMARK 3 ATOM PAIRS NUMBER : 39
REMARK 3 RMSD : 0.052
REMARK 3 NCS OPERATOR : 9
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 45:49
REMARK 3 SELECTION : CHAIN J AND RESID 45:49
REMARK 3 ATOM PAIRS NUMBER : 39
REMARK 3 RMSD : 0.028
REMARK 3 NCS GROUP : 7
REMARK 3 NCS OPERATOR : 1
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 51:52
REMARK 3 SELECTION : CHAIN B AND RESID 51:52
REMARK 3 ATOM PAIRS NUMBER : 18
REMARK 3 RMSD : 0.033
REMARK 3 NCS OPERATOR : 2
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 51:52
REMARK 3 SELECTION : CHAIN C AND RESID 51:52
REMARK 3 ATOM PAIRS NUMBER : 18
REMARK 3 RMSD : 0.033
REMARK 3 NCS OPERATOR : 3
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 51:52
REMARK 3 SELECTION : CHAIN D AND RESID 51:52
REMARK 3 ATOM PAIRS NUMBER : 18
REMARK 3 RMSD : 0.026
REMARK 3 NCS OPERATOR : 4
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 51:52
REMARK 3 SELECTION : CHAIN E AND RESID 51:52
REMARK 3 ATOM PAIRS NUMBER : 18
REMARK 3 RMSD : 0.030
REMARK 3 NCS OPERATOR : 5
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 51:52
REMARK 3 SELECTION : CHAIN F AND RESID 51:52
REMARK 3 ATOM PAIRS NUMBER : 18
REMARK 3 RMSD : 0.027
REMARK 3 NCS OPERATOR : 6
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 51:52
REMARK 3 SELECTION : CHAIN G AND RESID 51:52
REMARK 3 ATOM PAIRS NUMBER : 18
REMARK 3 RMSD : 0.029
REMARK 3 NCS OPERATOR : 7
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 51:52
REMARK 3 SELECTION : CHAIN H AND RESID 51:52
REMARK 3 ATOM PAIRS NUMBER : 18
REMARK 3 RMSD : 0.031
REMARK 3 NCS OPERATOR : 8
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 51:52
REMARK 3 SELECTION : CHAIN I AND RESID 51:52
REMARK 3 ATOM PAIRS NUMBER : 18
REMARK 3 RMSD : 0.034
REMARK 3 NCS OPERATOR : 9
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 51:52
REMARK 3 SELECTION : CHAIN J AND RESID 51:52
REMARK 3 ATOM PAIRS NUMBER : 18
REMARK 3 RMSD : 0.030
REMARK 3 NCS GROUP : 8
REMARK 3 NCS OPERATOR : 1
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 56:82
REMARK 3 SELECTION : CHAIN B AND RESID 56:82
REMARK 3 ATOM PAIRS NUMBER : 216
REMARK 3 RMSD : 0.036
REMARK 3 NCS OPERATOR : 2
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 56:82
REMARK 3 SELECTION : CHAIN C AND RESID 56:82
REMARK 3 ATOM PAIRS NUMBER : 216
REMARK 3 RMSD : 0.040
REMARK 3 NCS OPERATOR : 3
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 56:82
REMARK 3 SELECTION : CHAIN D AND RESID 56:82
REMARK 3 ATOM PAIRS NUMBER : 216
REMARK 3 RMSD : 0.044
REMARK 3 NCS OPERATOR : 4
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 56:82
REMARK 3 SELECTION : CHAIN E AND RESID 56:82
REMARK 3 ATOM PAIRS NUMBER : 216
REMARK 3 RMSD : 0.034
REMARK 3 NCS OPERATOR : 5
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 56:82
REMARK 3 SELECTION : CHAIN F AND RESID 56:82
REMARK 3 ATOM PAIRS NUMBER : 216
REMARK 3 RMSD : 0.029
REMARK 3 NCS OPERATOR : 6
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 56:82
REMARK 3 SELECTION : CHAIN G AND RESID 56:82
REMARK 3 ATOM PAIRS NUMBER : 216
REMARK 3 RMSD : 0.035
REMARK 3 NCS OPERATOR : 7
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 56:82
REMARK 3 SELECTION : CHAIN H AND RESID 56:82
REMARK 3 ATOM PAIRS NUMBER : 216
REMARK 3 RMSD : 0.043
REMARK 3 NCS OPERATOR : 8
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 56:82
REMARK 3 SELECTION : CHAIN I AND RESID 56:82
REMARK 3 ATOM PAIRS NUMBER : 216
REMARK 3 RMSD : 0.034
REMARK 3 NCS OPERATOR : 9
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 56:82
REMARK 3 SELECTION : CHAIN J AND RESID 56:82
REMARK 3 ATOM PAIRS NUMBER : 216
REMARK 3 RMSD : 0.037
REMARK 3 NCS GROUP : 9
REMARK 3 NCS OPERATOR : 1
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 84:100
REMARK 3 SELECTION : CHAIN B AND RESID 84:100
REMARK 3 ATOM PAIRS NUMBER : 126
REMARK 3 RMSD : 0.041
REMARK 3 NCS OPERATOR : 2
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 84:100
REMARK 3 SELECTION : CHAIN C AND RESID 84:100
REMARK 3 ATOM PAIRS NUMBER : 126
REMARK 3 RMSD : 0.049
REMARK 3 NCS OPERATOR : 3
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 84:100
REMARK 3 SELECTION : CHAIN D AND RESID 84:100
REMARK 3 ATOM PAIRS NUMBER : 126
REMARK 3 RMSD : 0.048
REMARK 3 NCS OPERATOR : 4
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 84:100
REMARK 3 SELECTION : CHAIN E AND RESID 84:100
REMARK 3 ATOM PAIRS NUMBER : 126
REMARK 3 RMSD : 0.047
REMARK 3 NCS OPERATOR : 5
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 84:100
REMARK 3 SELECTION : CHAIN F AND RESID 84:100
REMARK 3 ATOM PAIRS NUMBER : 126
REMARK 3 RMSD : 0.037
REMARK 3 NCS OPERATOR : 6
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 84:100
REMARK 3 SELECTION : CHAIN G AND RESID 84:100
REMARK 3 ATOM PAIRS NUMBER : 126
REMARK 3 RMSD : 0.046
REMARK 3 NCS OPERATOR : 7
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 84:100
REMARK 3 SELECTION : CHAIN H AND RESID 84:100
REMARK 3 ATOM PAIRS NUMBER : 126
REMARK 3 RMSD : 0.042
REMARK 3 NCS OPERATOR : 8
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 84:100
REMARK 3 SELECTION : CHAIN I AND RESID 84:100
REMARK 3 ATOM PAIRS NUMBER : 126
REMARK 3 RMSD : 0.045
REMARK 3 NCS OPERATOR : 9
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 84:100
REMARK 3 SELECTION : CHAIN J AND RESID 84:100
REMARK 3 ATOM PAIRS NUMBER : 126
REMARK 3 RMSD : 0.044
REMARK 3 NCS GROUP : 10
REMARK 3 NCS OPERATOR : 1
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 102:109
REMARK 3 SELECTION : CHAIN B AND RESID 102:109
REMARK 3 ATOM PAIRS NUMBER : 56
REMARK 3 RMSD : 0.034
REMARK 3 NCS OPERATOR : 2
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 102:109
REMARK 3 SELECTION : CHAIN C AND RESID 102:109
REMARK 3 ATOM PAIRS NUMBER : 56
REMARK 3 RMSD : 0.039
REMARK 3 NCS OPERATOR : 3
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 102:109
REMARK 3 SELECTION : CHAIN D AND RESID 102:109
REMARK 3 ATOM PAIRS NUMBER : 56
REMARK 3 RMSD : 0.041
REMARK 3 NCS OPERATOR : 4
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 102:109
REMARK 3 SELECTION : CHAIN E AND RESID 102:109
REMARK 3 ATOM PAIRS NUMBER : 56
REMARK 3 RMSD : 0.040
REMARK 3 NCS OPERATOR : 5
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 102:109
REMARK 3 SELECTION : CHAIN F AND RESID 102:109
REMARK 3 ATOM PAIRS NUMBER : 56
REMARK 3 RMSD : 0.037
REMARK 3 NCS OPERATOR : 6
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 102:109
REMARK 3 SELECTION : CHAIN G AND RESID 102:109
REMARK 3 ATOM PAIRS NUMBER : 56
REMARK 3 RMSD : 0.037
REMARK 3 NCS OPERATOR : 7
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 102:109
REMARK 3 SELECTION : CHAIN H AND RESID 102:109
REMARK 3 ATOM PAIRS NUMBER : 56
REMARK 3 RMSD : 0.035
REMARK 3 NCS OPERATOR : 8
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 102:109
REMARK 3 SELECTION : CHAIN I AND RESID 102:109
REMARK 3 ATOM PAIRS NUMBER : 56
REMARK 3 RMSD : 0.042
REMARK 3 NCS OPERATOR : 9
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 102:109
REMARK 3 SELECTION : CHAIN J AND RESID 102:109
REMARK 3 ATOM PAIRS NUMBER : 56
REMARK 3 RMSD : 0.040
REMARK 3 NCS GROUP : 11
REMARK 3 NCS OPERATOR : 1
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 111:113
REMARK 3 SELECTION : CHAIN B AND RESID 111:113
REMARK 3 ATOM PAIRS NUMBER : 27
REMARK 3 RMSD : 0.031
REMARK 3 NCS OPERATOR : 2
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 111:113
REMARK 3 SELECTION : CHAIN C AND RESID 111:113
REMARK 3 ATOM PAIRS NUMBER : 27
REMARK 3 RMSD : 0.045
REMARK 3 NCS OPERATOR : 3
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 111:113
REMARK 3 SELECTION : CHAIN D AND RESID 111:113
REMARK 3 ATOM PAIRS NUMBER : 27
REMARK 3 RMSD : 0.045
REMARK 3 NCS OPERATOR : 4
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 111:113
REMARK 3 SELECTION : CHAIN E AND RESID 111:113
REMARK 3 ATOM PAIRS NUMBER : 27
REMARK 3 RMSD : 0.044
REMARK 3 NCS OPERATOR : 5
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 111:113
REMARK 3 SELECTION : CHAIN F AND RESID 111:113
REMARK 3 ATOM PAIRS NUMBER : 27
REMARK 3 RMSD : 0.033
REMARK 3 NCS OPERATOR : 6
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 111:113
REMARK 3 SELECTION : CHAIN G AND RESID 111:113
REMARK 3 ATOM PAIRS NUMBER : 27
REMARK 3 RMSD : 0.039
REMARK 3 NCS OPERATOR : 7
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 111:113
REMARK 3 SELECTION : CHAIN H AND RESID 111:113
REMARK 3 ATOM PAIRS NUMBER : 27
REMARK 3 RMSD : 0.037
REMARK 3 NCS OPERATOR : 8
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 111:113
REMARK 3 SELECTION : CHAIN I AND RESID 111:113
REMARK 3 ATOM PAIRS NUMBER : 27
REMARK 3 RMSD : 0.026
REMARK 3 NCS OPERATOR : 9
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 111:113
REMARK 3 SELECTION : CHAIN J AND RESID 111:113
REMARK 3 ATOM PAIRS NUMBER : 27
REMARK 3 RMSD : 0.047
REMARK 3 NCS GROUP : 12
REMARK 3 NCS OPERATOR : 1
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 115:119
REMARK 3 SELECTION : CHAIN B AND RESID 115:119
REMARK 3 ATOM PAIRS NUMBER : 41
REMARK 3 RMSD : 0.044
REMARK 3 NCS OPERATOR : 2
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 115:119
REMARK 3 SELECTION : CHAIN C AND RESID 115:119
REMARK 3 ATOM PAIRS NUMBER : 41
REMARK 3 RMSD : 0.035
REMARK 3 NCS OPERATOR : 3
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 115:119
REMARK 3 SELECTION : CHAIN D AND RESID 115:119
REMARK 3 ATOM PAIRS NUMBER : 41
REMARK 3 RMSD : 0.037
REMARK 3 NCS OPERATOR : 4
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 115:119
REMARK 3 SELECTION : CHAIN E AND RESID 115:119
REMARK 3 ATOM PAIRS NUMBER : 41
REMARK 3 RMSD : 0.037
REMARK 3 NCS OPERATOR : 5
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 115:119
REMARK 3 SELECTION : CHAIN F AND RESID 115:119
REMARK 3 ATOM PAIRS NUMBER : 41
REMARK 3 RMSD : 0.034
REMARK 3 NCS OPERATOR : 6
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 115:119
REMARK 3 SELECTION : CHAIN G AND RESID 115:119
REMARK 3 ATOM PAIRS NUMBER : 41
REMARK 3 RMSD : 0.036
REMARK 3 NCS OPERATOR : 7
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 115:119
REMARK 3 SELECTION : CHAIN H AND RESID 115:119
REMARK 3 ATOM PAIRS NUMBER : 41
REMARK 3 RMSD : 0.034
REMARK 3 NCS OPERATOR : 8
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 115:119
REMARK 3 SELECTION : CHAIN I AND RESID 115:119
REMARK 3 ATOM PAIRS NUMBER : 41
REMARK 3 RMSD : 0.042
REMARK 3 NCS OPERATOR : 9
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 115:119
REMARK 3 SELECTION : CHAIN J AND RESID 115:119
REMARK 3 ATOM PAIRS NUMBER : 41
REMARK 3 RMSD : 0.036
REMARK 3 NCS GROUP : 13
REMARK 3 NCS OPERATOR : 1
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 121:128
REMARK 3 SELECTION : CHAIN B AND RESID 121:128
REMARK 3 ATOM PAIRS NUMBER : 55
REMARK 3 RMSD : 0.035
REMARK 3 NCS OPERATOR : 2
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 121:128
REMARK 3 SELECTION : CHAIN C AND RESID 121:128
REMARK 3 ATOM PAIRS NUMBER : 55
REMARK 3 RMSD : 0.035
REMARK 3 NCS OPERATOR : 3
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 121:128
REMARK 3 SELECTION : CHAIN D AND RESID 121:128
REMARK 3 ATOM PAIRS NUMBER : 55
REMARK 3 RMSD : 0.034
REMARK 3 NCS OPERATOR : 4
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 121:128
REMARK 3 SELECTION : CHAIN E AND RESID 121:128
REMARK 3 ATOM PAIRS NUMBER : 55
REMARK 3 RMSD : 0.037
REMARK 3 NCS OPERATOR : 5
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 121:128
REMARK 3 SELECTION : CHAIN F AND RESID 121:128
REMARK 3 ATOM PAIRS NUMBER : 55
REMARK 3 RMSD : 0.031
REMARK 3 NCS OPERATOR : 6
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 121:128
REMARK 3 SELECTION : CHAIN G AND RESID 121:128
REMARK 3 ATOM PAIRS NUMBER : 55
REMARK 3 RMSD : 0.036
REMARK 3 NCS OPERATOR : 7
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 121:128
REMARK 3 SELECTION : CHAIN H AND RESID 121:128
REMARK 3 ATOM PAIRS NUMBER : 55
REMARK 3 RMSD : 0.032
REMARK 3 NCS OPERATOR : 8
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 121:128
REMARK 3 SELECTION : CHAIN I AND RESID 121:128
REMARK 3 ATOM PAIRS NUMBER : 55
REMARK 3 RMSD : 0.042
REMARK 3 NCS OPERATOR : 9
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 121:128
REMARK 3 SELECTION : CHAIN J AND RESID 121:128
REMARK 3 ATOM PAIRS NUMBER : 55
REMARK 3 RMSD : 0.031
REMARK 3 NCS GROUP : 14
REMARK 3 NCS OPERATOR : 1
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 133:136
REMARK 3 SELECTION : CHAIN B AND RESID 133:136
REMARK 3 ATOM PAIRS NUMBER : 22
REMARK 3 RMSD : 0.029
REMARK 3 NCS OPERATOR : 2
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 133:136
REMARK 3 SELECTION : CHAIN C AND RESID 133:136
REMARK 3 ATOM PAIRS NUMBER : 22
REMARK 3 RMSD : 0.035
REMARK 3 NCS OPERATOR : 3
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 133:136
REMARK 3 SELECTION : CHAIN D AND RESID 133:136
REMARK 3 ATOM PAIRS NUMBER : 22
REMARK 3 RMSD : 0.029
REMARK 3 NCS OPERATOR : 4
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 133:136
REMARK 3 SELECTION : CHAIN E AND RESID 133:136
REMARK 3 ATOM PAIRS NUMBER : 22
REMARK 3 RMSD : 0.038
REMARK 3 NCS OPERATOR : 5
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 133:136
REMARK 3 SELECTION : CHAIN F AND RESID 133:136
REMARK 3 ATOM PAIRS NUMBER : 22
REMARK 3 RMSD : 0.019
REMARK 3 NCS OPERATOR : 6
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 133:136
REMARK 3 SELECTION : CHAIN G AND RESID 133:136
REMARK 3 ATOM PAIRS NUMBER : 22
REMARK 3 RMSD : 0.039
REMARK 3 NCS OPERATOR : 7
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 133:136
REMARK 3 SELECTION : CHAIN H AND RESID 133:136
REMARK 3 ATOM PAIRS NUMBER : 22
REMARK 3 RMSD : 0.028
REMARK 3 NCS OPERATOR : 8
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 133:136
REMARK 3 SELECTION : CHAIN I AND RESID 133:136
REMARK 3 ATOM PAIRS NUMBER : 22
REMARK 3 RMSD : 0.033
REMARK 3 NCS OPERATOR : 9
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 133:136
REMARK 3 SELECTION : CHAIN J AND RESID 133:136
REMARK 3 ATOM PAIRS NUMBER : 22
REMARK 3 RMSD : 0.045
REMARK 3 NCS GROUP : 15
REMARK 3 NCS OPERATOR : 1
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 140:145
REMARK 3 SELECTION : CHAIN B AND RESID 140:145
REMARK 3 ATOM PAIRS NUMBER : 49
REMARK 3 RMSD : 0.039
REMARK 3 NCS OPERATOR : 2
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 140:145
REMARK 3 SELECTION : CHAIN C AND RESID 140:145
REMARK 3 ATOM PAIRS NUMBER : 49
REMARK 3 RMSD : 0.044
REMARK 3 NCS OPERATOR : 3
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 140:145
REMARK 3 SELECTION : CHAIN D AND RESID 140:145
REMARK 3 ATOM PAIRS NUMBER : 49
REMARK 3 RMSD : 0.041
REMARK 3 NCS OPERATOR : 4
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 140:145
REMARK 3 SELECTION : CHAIN E AND RESID 140:145
REMARK 3 ATOM PAIRS NUMBER : 49
REMARK 3 RMSD : 0.031
REMARK 3 NCS OPERATOR : 5
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 140:145
REMARK 3 SELECTION : CHAIN F AND RESID 140:145
REMARK 3 ATOM PAIRS NUMBER : 49
REMARK 3 RMSD : 0.041
REMARK 3 NCS OPERATOR : 6
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 140:145
REMARK 3 SELECTION : CHAIN G AND RESID 140:145
REMARK 3 ATOM PAIRS NUMBER : 49
REMARK 3 RMSD : 0.042
REMARK 3 NCS OPERATOR : 7
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 140:145
REMARK 3 SELECTION : CHAIN H AND RESID 140:145
REMARK 3 ATOM PAIRS NUMBER : 49
REMARK 3 RMSD : 0.041
REMARK 3 NCS OPERATOR : 8
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 140:145
REMARK 3 SELECTION : CHAIN I AND RESID 140:145
REMARK 3 ATOM PAIRS NUMBER : 49
REMARK 3 RMSD : 0.036
REMARK 3 NCS OPERATOR : 9
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 140:145
REMARK 3 SELECTION : CHAIN J AND RESID 140:145
REMARK 3 ATOM PAIRS NUMBER : 49
REMARK 3 RMSD : 0.043
REMARK 3 NCS GROUP : 16
REMARK 3 NCS OPERATOR : 1
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 147:152
REMARK 3 SELECTION : CHAIN B AND RESID 147:152
REMARK 3 ATOM PAIRS NUMBER : 47
REMARK 3 RMSD : 0.045
REMARK 3 NCS OPERATOR : 2
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 147:152
REMARK 3 SELECTION : CHAIN C AND RESID 147:152
REMARK 3 ATOM PAIRS NUMBER : 47
REMARK 3 RMSD : 0.045
REMARK 3 NCS OPERATOR : 3
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 147:152
REMARK 3 SELECTION : CHAIN D AND RESID 147:152
REMARK 3 ATOM PAIRS NUMBER : 47
REMARK 3 RMSD : 0.038
REMARK 3 NCS OPERATOR : 4
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 147:152
REMARK 3 SELECTION : CHAIN E AND RESID 147:152
REMARK 3 ATOM PAIRS NUMBER : 47
REMARK 3 RMSD : 0.044
REMARK 3 NCS OPERATOR : 5
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 147:152
REMARK 3 SELECTION : CHAIN F AND RESID 147:152
REMARK 3 ATOM PAIRS NUMBER : 47
REMARK 3 RMSD : 0.033
REMARK 3 NCS OPERATOR : 6
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 147:152
REMARK 3 SELECTION : CHAIN G AND RESID 147:152
REMARK 3 ATOM PAIRS NUMBER : 47
REMARK 3 RMSD : 0.031
REMARK 3 NCS OPERATOR : 7
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 147:152
REMARK 3 SELECTION : CHAIN H AND RESID 147:152
REMARK 3 ATOM PAIRS NUMBER : 47
REMARK 3 RMSD : 0.038
REMARK 3 NCS OPERATOR : 8
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 147:152
REMARK 3 SELECTION : CHAIN I AND RESID 147:152
REMARK 3 ATOM PAIRS NUMBER : 47
REMARK 3 RMSD : 0.038
REMARK 3 NCS OPERATOR : 9
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 147:152
REMARK 3 SELECTION : CHAIN J AND RESID 147:152
REMARK 3 ATOM PAIRS NUMBER : 47
REMARK 3 RMSD : 0.048
REMARK 3 NCS GROUP : 17
REMARK 3 NCS OPERATOR : 1
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 164:169
REMARK 3 SELECTION : CHAIN B AND RESID 164:169
REMARK 3 ATOM PAIRS NUMBER : 56
REMARK 3 RMSD : 0.047
REMARK 3 NCS OPERATOR : 2
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 164:169
REMARK 3 SELECTION : CHAIN C AND RESID 164:169
REMARK 3 ATOM PAIRS NUMBER : 56
REMARK 3 RMSD : 0.030
REMARK 3 NCS OPERATOR : 3
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 164:169
REMARK 3 SELECTION : CHAIN D AND RESID 164:169
REMARK 3 ATOM PAIRS NUMBER : 56
REMARK 3 RMSD : 0.035
REMARK 3 NCS OPERATOR : 4
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 164:169
REMARK 3 SELECTION : CHAIN E AND RESID 164:169
REMARK 3 ATOM PAIRS NUMBER : 56
REMARK 3 RMSD : 0.028
REMARK 3 NCS OPERATOR : 5
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 164:169
REMARK 3 SELECTION : CHAIN F AND RESID 164:169
REMARK 3 ATOM PAIRS NUMBER : 56
REMARK 3 RMSD : 0.026
REMARK 3 NCS OPERATOR : 6
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 164:169
REMARK 3 SELECTION : CHAIN G AND RESID 164:169
REMARK 3 ATOM PAIRS NUMBER : 56
REMARK 3 RMSD : 0.035
REMARK 3 NCS OPERATOR : 7
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 164:169
REMARK 3 SELECTION : CHAIN H AND RESID 164:169
REMARK 3 ATOM PAIRS NUMBER : 56
REMARK 3 RMSD : 0.033
REMARK 3 NCS OPERATOR : 8
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 164:169
REMARK 3 SELECTION : CHAIN I AND RESID 164:169
REMARK 3 ATOM PAIRS NUMBER : 56
REMARK 3 RMSD : 0.027
REMARK 3 NCS OPERATOR : 9
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 164:169
REMARK 3 SELECTION : CHAIN J AND RESID 164:169
REMARK 3 ATOM PAIRS NUMBER : 56
REMARK 3 RMSD : 0.033
REMARK 3 NCS GROUP : 18
REMARK 3 NCS OPERATOR : 1
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 171:177
REMARK 3 SELECTION : CHAIN B AND RESID 171:177
REMARK 3 ATOM PAIRS NUMBER : 58
REMARK 3 RMSD : 0.032
REMARK 3 NCS OPERATOR : 2
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 171:177
REMARK 3 SELECTION : CHAIN C AND RESID 171:177
REMARK 3 ATOM PAIRS NUMBER : 58
REMARK 3 RMSD : 0.032
REMARK 3 NCS OPERATOR : 3
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 171:177
REMARK 3 SELECTION : CHAIN D AND RESID 171:177
REMARK 3 ATOM PAIRS NUMBER : 58
REMARK 3 RMSD : 0.034
REMARK 3 NCS OPERATOR : 4
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 171:177
REMARK 3 SELECTION : CHAIN E AND RESID 171:177
REMARK 3 ATOM PAIRS NUMBER : 58
REMARK 3 RMSD : 0.035
REMARK 3 NCS OPERATOR : 5
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 171:177
REMARK 3 SELECTION : CHAIN F AND RESID 171:177
REMARK 3 ATOM PAIRS NUMBER : 58
REMARK 3 RMSD : 0.029
REMARK 3 NCS OPERATOR : 6
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 171:177
REMARK 3 SELECTION : CHAIN G AND RESID 171:177
REMARK 3 ATOM PAIRS NUMBER : 58
REMARK 3 RMSD : 0.034
REMARK 3 NCS OPERATOR : 7
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 171:177
REMARK 3 SELECTION : CHAIN H AND RESID 171:177
REMARK 3 ATOM PAIRS NUMBER : 58
REMARK 3 RMSD : 0.034
REMARK 3 NCS OPERATOR : 8
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 171:177
REMARK 3 SELECTION : CHAIN I AND RESID 171:177
REMARK 3 ATOM PAIRS NUMBER : 58
REMARK 3 RMSD : 0.031
REMARK 3 NCS OPERATOR : 9
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 171:177
REMARK 3 SELECTION : CHAIN J AND RESID 171:177
REMARK 3 ATOM PAIRS NUMBER : 58
REMARK 3 RMSD : 0.039
REMARK 3 NCS GROUP : 19
REMARK 3 NCS OPERATOR : 1
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 191:195
REMARK 3 SELECTION : CHAIN B AND RESID 191:195
REMARK 3 ATOM PAIRS NUMBER : 41
REMARK 3 RMSD : 0.038
REMARK 3 NCS OPERATOR : 2
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 191:195
REMARK 3 SELECTION : CHAIN C AND RESID 191:195
REMARK 3 ATOM PAIRS NUMBER : 41
REMARK 3 RMSD : 0.032
REMARK 3 NCS OPERATOR : 3
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 191:195
REMARK 3 SELECTION : CHAIN D AND RESID 191:195
REMARK 3 ATOM PAIRS NUMBER : 41
REMARK 3 RMSD : 0.033
REMARK 3 NCS OPERATOR : 4
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 191:195
REMARK 3 SELECTION : CHAIN E AND RESID 191:195
REMARK 3 ATOM PAIRS NUMBER : 41
REMARK 3 RMSD : 0.033
REMARK 3 NCS OPERATOR : 5
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 191:195
REMARK 3 SELECTION : CHAIN F AND RESID 191:195
REMARK 3 ATOM PAIRS NUMBER : 41
REMARK 3 RMSD : 0.031
REMARK 3 NCS OPERATOR : 6
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 191:195
REMARK 3 SELECTION : CHAIN G AND RESID 191:195
REMARK 3 ATOM PAIRS NUMBER : 41
REMARK 3 RMSD : 0.036
REMARK 3 NCS OPERATOR : 7
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 191:195
REMARK 3 SELECTION : CHAIN H AND RESID 191:195
REMARK 3 ATOM PAIRS NUMBER : 41
REMARK 3 RMSD : 0.033
REMARK 3 NCS OPERATOR : 8
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 191:195
REMARK 3 SELECTION : CHAIN I AND RESID 191:195
REMARK 3 ATOM PAIRS NUMBER : 41
REMARK 3 RMSD : 0.032
REMARK 3 NCS OPERATOR : 9
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 191:195
REMARK 3 SELECTION : CHAIN J AND RESID 191:195
REMARK 3 ATOM PAIRS NUMBER : 41
REMARK 3 RMSD : 0.045
REMARK 3 NCS GROUP : 20
REMARK 3 NCS OPERATOR : 1
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 197:203
REMARK 3 SELECTION : CHAIN B AND RESID 197:203
REMARK 3 ATOM PAIRS NUMBER : 60
REMARK 3 RMSD : 0.031
REMARK 3 NCS OPERATOR : 2
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 197:203
REMARK 3 SELECTION : CHAIN C AND RESID 197:203
REMARK 3 ATOM PAIRS NUMBER : 60
REMARK 3 RMSD : 0.032
REMARK 3 NCS OPERATOR : 3
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 197:203
REMARK 3 SELECTION : CHAIN D AND RESID 197:203
REMARK 3 ATOM PAIRS NUMBER : 60
REMARK 3 RMSD : 0.034
REMARK 3 NCS OPERATOR : 4
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 197:203
REMARK 3 SELECTION : CHAIN E AND RESID 197:203
REMARK 3 ATOM PAIRS NUMBER : 60
REMARK 3 RMSD : 0.032
REMARK 3 NCS OPERATOR : 5
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 197:203
REMARK 3 SELECTION : CHAIN F AND RESID 197:203
REMARK 3 ATOM PAIRS NUMBER : 60
REMARK 3 RMSD : 0.027
REMARK 3 NCS OPERATOR : 6
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 197:203
REMARK 3 SELECTION : CHAIN G AND RESID 197:203
REMARK 3 ATOM PAIRS NUMBER : 60
REMARK 3 RMSD : 0.037
REMARK 3 NCS OPERATOR : 7
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 197:203
REMARK 3 SELECTION : CHAIN H AND RESID 197:203
REMARK 3 ATOM PAIRS NUMBER : 60
REMARK 3 RMSD : 0.038
REMARK 3 NCS OPERATOR : 8
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 197:203
REMARK 3 SELECTION : CHAIN I AND RESID 197:203
REMARK 3 ATOM PAIRS NUMBER : 60
REMARK 3 RMSD : 0.036
REMARK 3 NCS OPERATOR : 9
REMARK 3 REFERENCE SELECTION: CHAIN A AND RESID 197:203
REMARK 3 SELECTION : CHAIN J AND RESID 197:203
REMARK 3 ATOM PAIRS NUMBER : 60
REMARK 3 RMSD : 0.032
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 3U8L COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 07-NOV-11.
REMARK 100 THE DEPOSITION ID IS D_1000068442.
REMARK 200
REMARK 200 EXPERIMENTAL DETAILS
REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION
REMARK 200 DATE OF DATA COLLECTION : 18-JUN-10
REMARK 200 TEMPERATURE (KELVIN) : 100
REMARK 200 PH : 8.0
REMARK 200 NUMBER OF CRYSTALS USED : 1
REMARK 200
REMARK 200 SYNCHROTRON (Y/N) : Y
REMARK 200 RADIATION SOURCE : MAX II
REMARK 200 BEAMLINE : I911-3
REMARK 200 X-RAY GENERATOR MODEL : NULL
REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M
REMARK 200 WAVELENGTH OR RANGE (A) : 0.900
REMARK 200 MONOCHROMATOR : NULL
REMARK 200 OPTICS : NULL
REMARK 200
REMARK 200 DETECTOR TYPE : CCD
REMARK 200 DETECTOR MANUFACTURER : MARMOSAIC 225 MM CCD
REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MOSFLM
REMARK 200 DATA SCALING SOFTWARE : SCALA
REMARK 200
REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 88355
REMARK 200 RESOLUTION RANGE HIGH (A) : 2.320
REMARK 200 RESOLUTION RANGE LOW (A) : 44.780
REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL
REMARK 200
REMARK 200 OVERALL.
REMARK 200 COMPLETENESS FOR RANGE (%) : 100.0
REMARK 200 DATA REDUNDANCY : 4.100
REMARK 200 R MERGE (I) : 0.09900
REMARK 200 R SYM (I) : 0.09900
REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 9.4000
REMARK 200
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.35
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.48
REMARK 200 COMPLETENESS FOR SHELL (%) : 100.0
REMARK 200 DATA REDUNDANCY IN SHELL : 4.00
REMARK 200 R MERGE FOR SHELL (I) : 0.36200
REMARK 200 R SYM FOR SHELL (I) : 0.36200
REMARK 200 <I/SIGMA(I)> FOR SHELL : 2.100
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: PDB ENTRY 1UW6: PENTAMER, CHAIN A-E
REMARK 200
REMARK 200 REMARK: NULL
REMARK 280
REMARK 280 CRYSTAL
REMARK 280 SOLVENT CONTENT, VS (%): 45.58
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.26
REMARK 280
REMARK 280 CRYSTALLIZATION CONDITIONS: 50MM TRIS, 1.5M AMMONIUM SULFATE, PH
REMARK 280 8.0, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293K
REMARK 290
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1
REMARK 290
REMARK 290 SYMOP SYMMETRY
REMARK 290 NNNMMM OPERATOR
REMARK 290 1555 X,Y,Z
REMARK 290 2555 -X,Y+1/2,-Z
REMARK 290
REMARK 290 WHERE NNN -> OPERATOR NUMBER
REMARK 290 MMM -> TRANSLATION VECTOR
REMARK 290
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY
REMARK 290 RELATED MOLECULES.
REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 57.40500
REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000
REMARK 290
REMARK 290 REMARK: NULL
REMARK 300
REMARK 300 BIOMOLECULE: 1, 2
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON
REMARK 300 BURIED SURFACE AREA.
REMARK 350
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS
REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.
REMARK 350
REMARK 350 BIOMOLECULE: 1
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: PENTAMERIC
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: PENTAMERIC
REMARK 350 SOFTWARE USED: PISA
REMARK 350 TOTAL BURIED SURFACE AREA: 14470 ANGSTROM**2
REMARK 350 SURFACE AREA OF THE COMPLEX: 42130 ANGSTROM**2
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -80.0 KCAL/MOL
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C, D, E
REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000
REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000
REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000
REMARK 350
REMARK 350 BIOMOLECULE: 2
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: PENTAMERIC
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: PENTAMERIC
REMARK 350 SOFTWARE USED: PISA
REMARK 350 TOTAL BURIED SURFACE AREA: 14220 ANGSTROM**2
REMARK 350 SURFACE AREA OF THE COMPLEX: 42190 ANGSTROM**2
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -62.0 KCAL/MOL
REMARK 350 APPLY THE FOLLOWING TO CHAINS: F, G, H, I, J
REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000
REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000
REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000
REMARK 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 GLU A 157
REMARK 465 ASN A 158
REMARK 465 SER A 159
REMARK 465 ARG A 206
REMARK 465 SER A 207
REMARK 465 GLU A 208
REMARK 465 ILE A 209
REMARK 465 LEU A 210
REMARK 465 ARG B 206
REMARK 465 SER B 207
REMARK 465 GLU B 208
REMARK 465 ILE B 209
REMARK 465 LEU B 210
REMARK 465 THR C 156
REMARK 465 GLU C 157
REMARK 465 ASN C 158
REMARK 465 SER C 159
REMARK 465 ARG C 206
REMARK 465 SER C 207
REMARK 465 GLU C 208
REMARK 465 ILE C 209
REMARK 465 LEU C 210
REMARK 465 THR D 156
REMARK 465 GLU D 157
REMARK 465 ASN D 158
REMARK 465 SER D 159
REMARK 465 ASP D 160
REMARK 465 ASP D 161
REMARK 465 ARG D 206
REMARK 465 SER D 207
REMARK 465 GLU D 208
REMARK 465 ILE D 209
REMARK 465 LEU D 210
REMARK 465 SER E 207
REMARK 465 GLU E 208
REMARK 465 ILE E 209
REMARK 465 LEU E 210
REMARK 465 GLU F 157
REMARK 465 ASN F 158
REMARK 465 SER F 159
REMARK 465 ARG F 206
REMARK 465 SER F 207
REMARK 465 GLU F 208
REMARK 465 ILE F 209
REMARK 465 LEU F 210
REMARK 465 THR G 156
REMARK 465 GLU G 157
REMARK 465 ASN G 158
REMARK 465 SER G 159
REMARK 465 GLY G 205
REMARK 465 ARG G 206
REMARK 465 SER G 207
REMARK 465 GLU G 208
REMARK 465 ILE G 209
REMARK 465 LEU G 210
REMARK 465 THR H 156
REMARK 465 GLU H 157
REMARK 465 ASN H 158
REMARK 465 SER H 159
REMARK 465 ASP H 160
REMARK 465 ARG H 206
REMARK 465 SER H 207
REMARK 465 GLU H 208
REMARK 465 ILE H 209
REMARK 465 LEU H 210
REMARK 465 GLU I 157
REMARK 465 ARG I 206
REMARK 465 SER I 207
REMARK 465 GLU I 208
REMARK 465 ILE I 209
REMARK 465 LEU I 210
REMARK 465 THR J 156
REMARK 465 GLU J 157
REMARK 465 ASN J 158
REMARK 465 SER J 159
REMARK 465 SER J 186
REMARK 465 CYS J 187
REMARK 465 SER J 207
REMARK 465 GLU J 208
REMARK 465 ILE J 209
REMARK 465 LEU J 210
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 TRP F 53 CA - CB - CG ANGL. DEV. = 12.3 DEGREES
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: TORSION ANGLES
REMARK 500
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 STANDARD TABLE:
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)
REMARK 500
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400
REMARK 500
REMARK 500 M RES CSSEQI PSI PHI
REMARK 500 ASP A 24 26.64 46.57
REMARK 500 ASP A 175 146.07 -174.08
REMARK 500 SER A 186 -17.46 -44.31
REMARK 500 ARG B 23 -131.45 56.06
REMARK 500 ASP B 175 144.95 -175.31
REMARK 500 ARG C 15 74.59 -118.93
REMARK 500 ARG C 15 72.34 -117.38
REMARK 500 SER C 162 42.22 -147.87
REMARK 500 ASP C 175 145.84 -174.59
REMARK 500 ARG D 15 78.84 41.43
REMARK 500 ASP D 175 146.43 -174.48
REMARK 500 ARG E 23 -133.47 60.58
REMARK 500 ASP E 175 146.85 -172.63
REMARK 500 PRO F 154 -161.67 -65.76
REMARK 500 ASP F 175 146.74 -173.87
REMARK 500 ASP G 175 145.26 -174.09
REMARK 500 ARG H 15 71.85 49.70
REMARK 500 ARG H 15 74.48 46.59
REMARK 500 ASP H 24 18.48 48.87
REMARK 500 ASP H 175 145.51 -174.66
REMARK 500 ARG I 15 72.67 61.23
REMARK 500 ASP I 85 59.02 -91.05
REMARK 500 ASP I 175 145.68 -174.34
REMARK 500 SER J 14 -83.35 -46.38
REMARK 500 ASP J 175 144.91 -175.20
REMARK 500
REMARK 500 REMARK: NULL
REMARK 800
REMARK 800 SITE
REMARK 800 SITE_IDENTIFIER: AC1
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 09Q A 211
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC2
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 09Q B 211
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC3
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 09Q B 212
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC4
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 09Q B 213
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC5
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 B 214
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC6
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 B 215
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC7
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 09Q C 211
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC8
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 09Q D 211
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC9
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 09Q E 211
REMARK 800
REMARK 800 SITE_IDENTIFIER: BC1
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 09Q F 211
REMARK 800
REMARK 800 SITE_IDENTIFIER: BC2
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 09Q G 211
REMARK 800
REMARK 800 SITE_IDENTIFIER: BC3
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 G 212
REMARK 800
REMARK 800 SITE_IDENTIFIER: BC4
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 09Q H 211
REMARK 800
REMARK 800 SITE_IDENTIFIER: BC5
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 09Q H 212
REMARK 800
REMARK 800 SITE_IDENTIFIER: BC6
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 09Q H 213
REMARK 800
REMARK 800 SITE_IDENTIFIER: BC7
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 09Q I 211
REMARK 800
REMARK 800 SITE_IDENTIFIER: BC8
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 09Q J 211
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 3U8J RELATED DB: PDB
REMARK 900 CRYSTAL STRUCTURE OF THE ACETYLCHOLINE BINDING PROTEIN (ACHBP)FROM
REMARK 900 LYMNAEA STAGNALIS IN COMPLEX WITH NS3531 (1-(PYRIDIN-3-YL)-1,4-
REMARK 900 DIAZEPANE)
REMARK 900 RELATED ID: 3U8K RELATED DB: PDB
REMARK 900 CRYSTAL STRUCTURE OF THE ACETYLCHOLINE BINDING PROTEIN (ACHBP) FROM
REMARK 900 LYMNAEA STAGNALIS IN COMPLEX WITH NS3573 (1-(5-ETHOXYPYRIDIN-3-YL)-
REMARK 900 1,4-DIAZEPANE)
REMARK 900 RELATED ID: 3U8M RELATED DB: PDB
REMARK 900 CRYSTAL STRUCTURE OF THE ACETYLCHOLINE BINDING PROTEIN (ACHBP) FROM
REMARK 900 LYMNAEA STAGNALIS IN COMPLEX WITH NS3920 (1-(6-BROMOPYRIDIN-3-YL)-1,
REMARK 900 4-DIAZEPANE)
REMARK 900 RELATED ID: 3U8N RELATED DB: PDB
REMARK 900 CRYSTAL STRUCTURE OF THE ACETYLCHOLINE BINDING PROTEIN (ACHBP) FROM
REMARK 900 LYMNAEA STAGNALIS IN COMPLEX WITH NS3950 (1-(6-BROMO-5-
REMARK 900 ETHOXYPYRIDIN-3-YL)-1,4-DIAZEPANE)
REMARK 900 RELATED ID: 1UW6 RELATED DB: PDB
REMARK 900 ACETYLCHOLINE BINDING PROTEIN (ACHBP) IN COMPLEX WITH NICOTINE
REMARK 900 RELATED ID: 1UV6 RELATED DB: PDB
REMARK 900 X-RAY STRUCTURE OF ACETYLCHOLINE BINDING PROTEIN (ACHBP) IN COMPLEX
REMARK 900 WITH CARBAMYLCHOLINE
DBREF 3U8L A 1 210 UNP P58154 ACHP_LYMST 20 229
DBREF 3U8L B 1 210 UNP P58154 ACHP_LYMST 20 229
DBREF 3U8L C 1 210 UNP P58154 ACHP_LYMST 20 229
DBREF 3U8L D 1 210 UNP P58154 ACHP_LYMST 20 229
DBREF 3U8L E 1 210 UNP P58154 ACHP_LYMST 20 229
DBREF 3U8L F 1 210 UNP P58154 ACHP_LYMST 20 229
DBREF 3U8L G 1 210 UNP P58154 ACHP_LYMST 20 229
DBREF 3U8L H 1 210 UNP P58154 ACHP_LYMST 20 229
DBREF 3U8L I 1 210 UNP P58154 ACHP_LYMST 20 229
DBREF 3U8L J 1 210 UNP P58154 ACHP_LYMST 20 229
SEQRES 1 A 210 LEU ASP ARG ALA ASP ILE LEU TYR ASN ILE ARG GLN THR
SEQRES 2 A 210 SER ARG PRO ASP VAL ILE PRO THR GLN ARG ASP ARG PRO
SEQRES 3 A 210 VAL ALA VAL SER VAL SER LEU LYS PHE ILE ASN ILE LEU
SEQRES 4 A 210 GLU VAL ASN GLU ILE THR ASN GLU VAL ASP VAL VAL PHE
SEQRES 5 A 210 TRP GLN GLN THR THR TRP SER ASP ARG THR LEU ALA TRP
SEQRES 6 A 210 ASN SER SER HIS SER PRO ASP GLN VAL SER VAL PRO ILE
SEQRES 7 A 210 SER SER LEU TRP VAL PRO ASP LEU ALA ALA TYR ASN ALA
SEQRES 8 A 210 ILE SER LYS PRO GLU VAL LEU THR PRO GLN LEU ALA ARG
SEQRES 9 A 210 VAL VAL SER ASP GLY GLU VAL LEU TYR MET PRO SER ILE
SEQRES 10 A 210 ARG GLN ARG PHE SER CYS ASP VAL SER GLY VAL ASP THR
SEQRES 11 A 210 GLU SER GLY ALA THR CYS ARG ILE LYS ILE GLY SER TRP
SEQRES 12 A 210 THR HIS HIS SER ARG GLU ILE SER VAL ASP PRO THR THR
SEQRES 13 A 210 GLU ASN SER ASP ASP SER GLU TYR PHE SER GLN TYR SER
SEQRES 14 A 210 ARG PHE GLU ILE LEU ASP VAL THR GLN LYS LYS ASN SER
SEQRES 15 A 210 VAL THR TYR SER CYS CYS PRO GLU ALA TYR GLU ASP VAL
SEQRES 16 A 210 GLU VAL SER LEU ASN PHE ARG LYS LYS GLY ARG SER GLU
SEQRES 17 A 210 ILE LEU
SEQRES 1 B 210 LEU ASP ARG ALA ASP ILE LEU TYR ASN ILE ARG GLN THR
SEQRES 2 B 210 SER ARG PRO ASP VAL ILE PRO THR GLN ARG ASP ARG PRO
SEQRES 3 B 210 VAL ALA VAL SER VAL SER LEU LYS PHE ILE ASN ILE LEU
SEQRES 4 B 210 GLU VAL ASN GLU ILE THR ASN GLU VAL ASP VAL VAL PHE
SEQRES 5 B 210 TRP GLN GLN THR THR TRP SER ASP ARG THR LEU ALA TRP
SEQRES 6 B 210 ASN SER SER HIS SER PRO ASP GLN VAL SER VAL PRO ILE
SEQRES 7 B 210 SER SER LEU TRP VAL PRO ASP LEU ALA ALA TYR ASN ALA
SEQRES 8 B 210 ILE SER LYS PRO GLU VAL LEU THR PRO GLN LEU ALA ARG
SEQRES 9 B 210 VAL VAL SER ASP GLY GLU VAL LEU TYR MET PRO SER ILE
SEQRES 10 B 210 ARG GLN ARG PHE SER CYS ASP VAL SER GLY VAL ASP THR
SEQRES 11 B 210 GLU SER GLY ALA THR CYS ARG ILE LYS ILE GLY SER TRP
SEQRES 12 B 210 THR HIS HIS SER ARG GLU ILE SER VAL ASP PRO THR THR
SEQRES 13 B 210 GLU ASN SER ASP ASP SER GLU TYR PHE SER GLN TYR SER
SEQRES 14 B 210 ARG PHE GLU ILE LEU ASP VAL THR GLN LYS LYS ASN SER
SEQRES 15 B 210 VAL THR TYR SER CYS CYS PRO GLU ALA TYR GLU ASP VAL
SEQRES 16 B 210 GLU VAL SER LEU ASN PHE ARG LYS LYS GLY ARG SER GLU
SEQRES 17 B 210 ILE LEU
SEQRES 1 C 210 LEU ASP ARG ALA ASP ILE LEU TYR ASN ILE ARG GLN THR
SEQRES 2 C 210 SER ARG PRO ASP VAL ILE PRO THR GLN ARG ASP ARG PRO
SEQRES 3 C 210 VAL ALA VAL SER VAL SER LEU LYS PHE ILE ASN ILE LEU
SEQRES 4 C 210 GLU VAL ASN GLU ILE THR ASN GLU VAL ASP VAL VAL PHE
SEQRES 5 C 210 TRP GLN GLN THR THR TRP SER ASP ARG THR LEU ALA TRP
SEQRES 6 C 210 ASN SER SER HIS SER PRO ASP GLN VAL SER VAL PRO ILE
SEQRES 7 C 210 SER SER LEU TRP VAL PRO ASP LEU ALA ALA TYR ASN ALA
SEQRES 8 C 210 ILE SER LYS PRO GLU VAL LEU THR PRO GLN LEU ALA ARG
SEQRES 9 C 210 VAL VAL SER ASP GLY GLU VAL LEU TYR MET PRO SER ILE
SEQRES 10 C 210 ARG GLN ARG PHE SER CYS ASP VAL SER GLY VAL ASP THR
SEQRES 11 C 210 GLU SER GLY ALA THR CYS ARG ILE LYS ILE GLY SER TRP
SEQRES 12 C 210 THR HIS HIS SER ARG GLU ILE SER VAL ASP PRO THR THR
SEQRES 13 C 210 GLU ASN SER ASP ASP SER GLU TYR PHE SER GLN TYR SER
SEQRES 14 C 210 ARG PHE GLU ILE LEU ASP VAL THR GLN LYS LYS ASN SER
SEQRES 15 C 210 VAL THR TYR SER CYS CYS PRO GLU ALA TYR GLU ASP VAL
SEQRES 16 C 210 GLU VAL SER LEU ASN PHE ARG LYS LYS GLY ARG SER GLU
SEQRES 17 C 210 ILE LEU
SEQRES 1 D 210 LEU ASP ARG ALA ASP ILE LEU TYR ASN ILE ARG GLN THR
SEQRES 2 D 210 SER ARG PRO ASP VAL ILE PRO THR GLN ARG ASP ARG PRO
SEQRES 3 D 210 VAL ALA VAL SER VAL SER LEU LYS PHE ILE ASN ILE LEU
SEQRES 4 D 210 GLU VAL ASN GLU ILE THR ASN GLU VAL ASP VAL VAL PHE
SEQRES 5 D 210 TRP GLN GLN THR THR TRP SER ASP ARG THR LEU ALA TRP
SEQRES 6 D 210 ASN SER SER HIS SER PRO ASP GLN VAL SER VAL PRO ILE
SEQRES 7 D 210 SER SER LEU TRP VAL PRO ASP LEU ALA ALA TYR ASN ALA
SEQRES 8 D 210 ILE SER LYS PRO GLU VAL LEU THR PRO GLN LEU ALA ARG
SEQRES 9 D 210 VAL VAL SER ASP GLY GLU VAL LEU TYR MET PRO SER ILE
SEQRES 10 D 210 ARG GLN ARG PHE SER CYS ASP VAL SER GLY VAL ASP THR
SEQRES 11 D 210 GLU SER GLY ALA THR CYS ARG ILE LYS ILE GLY SER TRP
SEQRES 12 D 210 THR HIS HIS SER ARG GLU ILE SER VAL ASP PRO THR THR
SEQRES 13 D 210 GLU ASN SER ASP ASP SER GLU TYR PHE SER GLN TYR SER
SEQRES 14 D 210 ARG PHE GLU ILE LEU ASP VAL THR GLN LYS LYS ASN SER
SEQRES 15 D 210 VAL THR TYR SER CYS CYS PRO GLU ALA TYR GLU ASP VAL
SEQRES 16 D 210 GLU VAL SER LEU ASN PHE ARG LYS LYS GLY ARG SER GLU
SEQRES 17 D 210 ILE LEU
SEQRES 1 E 210 LEU ASP ARG ALA ASP ILE LEU TYR ASN ILE ARG GLN THR
SEQRES 2 E 210 SER ARG PRO ASP VAL ILE PRO THR GLN ARG ASP ARG PRO
SEQRES 3 E 210 VAL ALA VAL SER VAL SER LEU LYS PHE ILE ASN ILE LEU
SEQRES 4 E 210 GLU VAL ASN GLU ILE THR ASN GLU VAL ASP VAL VAL PHE
SEQRES 5 E 210 TRP GLN GLN THR THR TRP SER ASP ARG THR LEU ALA TRP
SEQRES 6 E 210 ASN SER SER HIS SER PRO ASP GLN VAL SER VAL PRO ILE
SEQRES 7 E 210 SER SER LEU TRP VAL PRO ASP LEU ALA ALA TYR ASN ALA
SEQRES 8 E 210 ILE SER LYS PRO GLU VAL LEU THR PRO GLN LEU ALA ARG
SEQRES 9 E 210 VAL VAL SER ASP GLY GLU VAL LEU TYR MET PRO SER ILE
SEQRES 10 E 210 ARG GLN ARG PHE SER CYS ASP VAL SER GLY VAL ASP THR
SEQRES 11 E 210 GLU SER GLY ALA THR CYS ARG ILE LYS ILE GLY SER TRP
SEQRES 12 E 210 THR HIS HIS SER ARG GLU ILE SER VAL ASP PRO THR THR
SEQRES 13 E 210 GLU ASN SER ASP ASP SER GLU TYR PHE SER GLN TYR SER
SEQRES 14 E 210 ARG PHE GLU ILE LEU ASP VAL THR GLN LYS LYS ASN SER
SEQRES 15 E 210 VAL THR TYR SER CYS CYS PRO GLU ALA TYR GLU ASP VAL
SEQRES 16 E 210 GLU VAL SER LEU ASN PHE ARG LYS LYS GLY ARG SER GLU
SEQRES 17 E 210 ILE LEU
SEQRES 1 F 210 LEU ASP ARG ALA ASP ILE LEU TYR ASN ILE ARG GLN THR
SEQRES 2 F 210 SER ARG PRO ASP VAL ILE PRO THR GLN ARG ASP ARG PRO
SEQRES 3 F 210 VAL ALA VAL SER VAL SER LEU LYS PHE ILE ASN ILE LEU
SEQRES 4 F 210 GLU VAL ASN GLU ILE THR ASN GLU VAL ASP VAL VAL PHE
SEQRES 5 F 210 TRP GLN GLN THR THR TRP SER ASP ARG THR LEU ALA TRP
SEQRES 6 F 210 ASN SER SER HIS SER PRO ASP GLN VAL SER VAL PRO ILE
SEQRES 7 F 210 SER SER LEU TRP VAL PRO ASP LEU ALA ALA TYR ASN ALA
SEQRES 8 F 210 ILE SER LYS PRO GLU VAL LEU THR PRO GLN LEU ALA ARG
SEQRES 9 F 210 VAL VAL SER ASP GLY GLU VAL LEU TYR MET PRO SER ILE
SEQRES 10 F 210 ARG GLN ARG PHE SER CYS ASP VAL SER GLY VAL ASP THR
SEQRES 11 F 210 GLU SER GLY ALA THR CYS ARG ILE LYS ILE GLY SER TRP
SEQRES 12 F 210 THR HIS HIS SER ARG GLU ILE SER VAL ASP PRO THR THR
SEQRES 13 F 210 GLU ASN SER ASP ASP SER GLU TYR PHE SER GLN TYR SER
SEQRES 14 F 210 ARG PHE GLU ILE LEU ASP VAL THR GLN LYS LYS ASN SER
SEQRES 15 F 210 VAL THR TYR SER CYS CYS PRO GLU ALA TYR GLU ASP VAL
SEQRES 16 F 210 GLU VAL SER LEU ASN PHE ARG LYS LYS GLY ARG SER GLU
SEQRES 17 F 210 ILE LEU
SEQRES 1 G 210 LEU ASP ARG ALA ASP ILE LEU TYR ASN ILE ARG GLN THR
SEQRES 2 G 210 SER ARG PRO ASP VAL ILE PRO THR GLN ARG ASP ARG PRO
SEQRES 3 G 210 VAL ALA VAL SER VAL SER LEU LYS PHE ILE ASN ILE LEU
SEQRES 4 G 210 GLU VAL ASN GLU ILE THR ASN GLU VAL ASP VAL VAL PHE
SEQRES 5 G 210 TRP GLN GLN THR THR TRP SER ASP ARG THR LEU ALA TRP
SEQRES 6 G 210 ASN SER SER HIS SER PRO ASP GLN VAL SER VAL PRO ILE
SEQRES 7 G 210 SER SER LEU TRP VAL PRO ASP LEU ALA ALA TYR ASN ALA
SEQRES 8 G 210 ILE SER LYS PRO GLU VAL LEU THR PRO GLN LEU ALA ARG
SEQRES 9 G 210 VAL VAL SER ASP GLY GLU VAL LEU TYR MET PRO SER ILE
SEQRES 10 G 210 ARG GLN ARG PHE SER CYS ASP VAL SER GLY VAL ASP THR
SEQRES 11 G 210 GLU SER GLY ALA THR CYS ARG ILE LYS ILE GLY SER TRP
SEQRES 12 G 210 THR HIS HIS SER ARG GLU ILE SER VAL ASP PRO THR THR
SEQRES 13 G 210 GLU ASN SER ASP ASP SER GLU TYR PHE SER GLN TYR SER
SEQRES 14 G 210 ARG PHE GLU ILE LEU ASP VAL THR GLN LYS LYS ASN SER
SEQRES 15 G 210 VAL THR TYR SER CYS CYS PRO GLU ALA TYR GLU ASP VAL
SEQRES 16 G 210 GLU VAL SER LEU ASN PHE ARG LYS LYS GLY ARG SER GLU
SEQRES 17 G 210 ILE LEU
SEQRES 1 H 210 LEU ASP ARG ALA ASP ILE LEU TYR ASN ILE ARG GLN THR
SEQRES 2 H 210 SER ARG PRO ASP VAL ILE PRO THR GLN ARG ASP ARG PRO
SEQRES 3 H 210 VAL ALA VAL SER VAL SER LEU LYS PHE ILE ASN ILE LEU
SEQRES 4 H 210 GLU VAL ASN GLU ILE THR ASN GLU VAL ASP VAL VAL PHE
SEQRES 5 H 210 TRP GLN GLN THR THR TRP SER ASP ARG THR LEU ALA TRP
SEQRES 6 H 210 ASN SER SER HIS SER PRO ASP GLN VAL SER VAL PRO ILE
SEQRES 7 H 210 SER SER LEU TRP VAL PRO ASP LEU ALA ALA TYR ASN ALA
SEQRES 8 H 210 ILE SER LYS PRO GLU VAL LEU THR PRO GLN LEU ALA ARG
SEQRES 9 H 210 VAL VAL SER ASP GLY GLU VAL LEU TYR MET PRO SER ILE
SEQRES 10 H 210 ARG GLN ARG PHE SER CYS ASP VAL SER GLY VAL ASP THR
SEQRES 11 H 210 GLU SER GLY ALA THR CYS ARG ILE LYS ILE GLY SER TRP
SEQRES 12 H 210 THR HIS HIS SER ARG GLU ILE SER VAL ASP PRO THR THR
SEQRES 13 H 210 GLU ASN SER ASP ASP SER GLU TYR PHE SER GLN TYR SER
SEQRES 14 H 210 ARG PHE GLU ILE LEU ASP VAL THR GLN LYS LYS ASN SER
SEQRES 15 H 210 VAL THR TYR SER CYS CYS PRO GLU ALA TYR GLU ASP VAL
SEQRES 16 H 210 GLU VAL SER LEU ASN PHE ARG LYS LYS GLY ARG SER GLU
SEQRES 17 H 210 ILE LEU
SEQRES 1 I 210 LEU ASP ARG ALA ASP ILE LEU TYR ASN ILE ARG GLN THR
SEQRES 2 I 210 SER ARG PRO ASP VAL ILE PRO THR GLN ARG ASP ARG PRO
SEQRES 3 I 210 VAL ALA VAL SER VAL SER LEU LYS PHE ILE ASN ILE LEU
SEQRES 4 I 210 GLU VAL ASN GLU ILE THR ASN GLU VAL ASP VAL VAL PHE
SEQRES 5 I 210 TRP GLN GLN THR THR TRP SER ASP ARG THR LEU ALA TRP
SEQRES 6 I 210 ASN SER SER HIS SER PRO ASP GLN VAL SER VAL PRO ILE
SEQRES 7 I 210 SER SER LEU TRP VAL PRO ASP LEU ALA ALA TYR ASN ALA
SEQRES 8 I 210 ILE SER LYS PRO GLU VAL LEU THR PRO GLN LEU ALA ARG
SEQRES 9 I 210 VAL VAL SER ASP GLY GLU VAL LEU TYR MET PRO SER ILE
SEQRES 10 I 210 ARG GLN ARG PHE SER CYS ASP VAL SER GLY VAL ASP THR
SEQRES 11 I 210 GLU SER GLY ALA THR CYS ARG ILE LYS ILE GLY SER TRP
SEQRES 12 I 210 THR HIS HIS SER ARG GLU ILE SER VAL ASP PRO THR THR
SEQRES 13 I 210 GLU ASN SER ASP ASP SER GLU TYR PHE SER GLN TYR SER
SEQRES 14 I 210 ARG PHE GLU ILE LEU ASP VAL THR GLN LYS LYS ASN SER
SEQRES 15 I 210 VAL THR TYR SER CYS CYS PRO GLU ALA TYR GLU ASP VAL
SEQRES 16 I 210 GLU VAL SER LEU ASN PHE ARG LYS LYS GLY ARG SER GLU
SEQRES 17 I 210 ILE LEU
SEQRES 1 J 210 LEU ASP ARG ALA ASP ILE LEU TYR ASN ILE ARG GLN THR
SEQRES 2 J 210 SER ARG PRO ASP VAL ILE PRO THR GLN ARG ASP ARG PRO
SEQRES 3 J 210 VAL ALA VAL SER VAL SER LEU LYS PHE ILE ASN ILE LEU
SEQRES 4 J 210 GLU VAL ASN GLU ILE THR ASN GLU VAL ASP VAL VAL PHE
SEQRES 5 J 210 TRP GLN GLN THR THR TRP SER ASP ARG THR LEU ALA TRP
SEQRES 6 J 210 ASN SER SER HIS SER PRO ASP GLN VAL SER VAL PRO ILE
SEQRES 7 J 210 SER SER LEU TRP VAL PRO ASP LEU ALA ALA TYR ASN ALA
SEQRES 8 J 210 ILE SER LYS PRO GLU VAL LEU THR PRO GLN LEU ALA ARG
SEQRES 9 J 210 VAL VAL SER ASP GLY GLU VAL LEU TYR MET PRO SER ILE
SEQRES 10 J 210 ARG GLN ARG PHE SER CYS ASP VAL SER GLY VAL ASP THR
SEQRES 11 J 210 GLU SER GLY ALA THR CYS ARG ILE LYS ILE GLY SER TRP
SEQRES 12 J 210 THR HIS HIS SER ARG GLU ILE SER VAL ASP PRO THR THR
SEQRES 13 J 210 GLU ASN SER ASP ASP SER GLU TYR PHE SER GLN TYR SER
SEQRES 14 J 210 ARG PHE GLU ILE LEU ASP VAL THR GLN LYS LYS ASN SER
SEQRES 15 J 210 VAL THR TYR SER CYS CYS PRO GLU ALA TYR GLU ASP VAL
SEQRES 16 J 210 GLU VAL SER LEU ASN PHE ARG LYS LYS GLY ARG SER GLU
SEQRES 17 J 210 ILE LEU
HET 09Q A 211 19
HET 09Q B 211 19
HET 09Q B 212 19
HET 09Q B 213 19
HET SO4 B 214 5
HET SO4 B 215 5
HET 09Q C 211 19
HET 09Q D 211 19
HET 09Q E 211 19
HET 09Q F 211 19
HET 09Q G 211 19
HET SO4 G 212 5
HET 09Q H 211 19
HET 09Q H 212 19
HET 09Q H 213 19
HET 09Q I 211 19
HET 09Q J 211 19
HETNAM 09Q 1-(5-PHENYLPYRIDIN-3-YL)-1,4-DIAZEPANE
HETNAM SO4 SULFATE ION
FORMUL 11 09Q 14(C16 H19 N3)
FORMUL 15 SO4 3(O4 S 2-)
FORMUL 28 HOH *599(H2 O)
HELIX 1 1 ASP A 2 SER A 14 1 13
HELIX 2 2 ARG A 61 ALA A 64 5 4
HELIX 3 3 SER A 79 LEU A 81 5 3
HELIX 4 4 ASP B 2 SER B 14 1 13
HELIX 5 5 ARG B 61 ALA B 64 5 4
HELIX 6 6 SER B 79 LEU B 81 5 3
HELIX 7 7 ASP B 160 PHE B 165 5 6
HELIX 8 8 ASP C 2 THR C 13 1 12
HELIX 9 9 ARG C 61 ALA C 64 5 4
HELIX 10 10 SER C 79 LEU C 81 5 3
HELIX 11 11 ASP D 2 SER D 14 1 13
HELIX 12 12 ARG D 61 ALA D 64 5 4
HELIX 13 13 SER D 79 LEU D 81 5 3
HELIX 14 14 ASP E 2 SER E 14 1 13
HELIX 15 15 ARG E 61 ALA E 64 5 4
HELIX 16 16 SER E 79 LEU E 81 5 3
HELIX 17 17 ASP F 2 SER F 14 1 13
HELIX 18 18 ARG F 61 ALA F 64 5 4
HELIX 19 19 SER F 79 LEU F 81 5 3
HELIX 20 20 ASP G 2 SER G 14 1 13
HELIX 21 21 ARG G 61 ALA G 64 5 4
HELIX 22 22 SER G 79 LEU G 81 5 3
HELIX 23 23 ASP H 2 SER H 14 1 13
HELIX 24 24 ARG H 61 ALA H 64 5 4
HELIX 25 25 SER H 79 LEU H 81 5 3
HELIX 26 26 ASP I 2 SER I 14 1 13
HELIX 27 27 ARG I 61 ALA I 64 5 4
HELIX 28 28 SER I 79 LEU I 81 5 3
HELIX 29 29 ASP J 2 THR J 13 1 12
HELIX 30 30 ARG J 61 ALA J 64 5 4
HELIX 31 31 SER J 79 LEU J 81 5 3
SHEET 1 A 6 GLN A 73 PRO A 77 0
SHEET 2 A 6 LEU A 102 VAL A 106 -1 O ALA A 103 N VAL A 76
SHEET 3 A 6 GLU A 110 TYR A 113 -1 O GLU A 110 N VAL A 106
SHEET 4 A 6 GLU A 47 SER A 59 -1 N TRP A 58 O VAL A 111
SHEET 5 A 6 SER A 116 SER A 122 -1 O ILE A 117 N PHE A 52
SHEET 6 A 6 GLU A 96 VAL A 97 -1 N GLU A 96 O ARG A 118
SHEET 1 B 6 GLN A 73 PRO A 77 0
SHEET 2 B 6 LEU A 102 VAL A 106 -1 O ALA A 103 N VAL A 76
SHEET 3 B 6 GLU A 110 TYR A 113 -1 O GLU A 110 N VAL A 106
SHEET 4 B 6 GLU A 47 SER A 59 -1 N TRP A 58 O VAL A 111
SHEET 5 B 6 VAL A 27 ASN A 42 -1 N LYS A 34 O TRP A 53
SHEET 6 B 6 ILE A 150 PRO A 154 1 O SER A 151 N VAL A 29
SHEET 1 C 4 LEU A 86 ALA A 88 0
SHEET 2 C 4 ALA A 134 SER A 142 -1 O GLY A 141 N ALA A 87
SHEET 3 C 4 TYR A 192 LYS A 203 -1 O LEU A 199 N CYS A 136
SHEET 4 C 4 PHE A 171 VAL A 183 -1 N THR A 177 O SER A 198
SHEET 1 D 6 GLN B 73 PRO B 77 0
SHEET 2 D 6 LEU B 102 VAL B 106 -1 O ALA B 103 N VAL B 76
SHEET 3 D 6 GLU B 110 TYR B 113 -1 O GLU B 110 N VAL B 106
SHEET 4 D 6 GLU B 47 SER B 59 -1 N TRP B 58 O VAL B 111
SHEET 5 D 6 SER B 116 SER B 122 -1 O ILE B 117 N PHE B 52
SHEET 6 D 6 GLU B 96 VAL B 97 -1 N GLU B 96 O ARG B 118
SHEET 1 E 6 GLN B 73 PRO B 77 0
SHEET 2 E 6 LEU B 102 VAL B 106 -1 O ALA B 103 N VAL B 76
SHEET 3 E 6 GLU B 110 TYR B 113 -1 O GLU B 110 N VAL B 106
SHEET 4 E 6 GLU B 47 SER B 59 -1 N TRP B 58 O VAL B 111
SHEET 5 E 6 VAL B 27 ASN B 42 -1 N LYS B 34 O TRP B 53
SHEET 6 E 6 ILE B 150 PRO B 154 1 O SER B 151 N VAL B 29
SHEET 1 F 4 LEU B 86 ALA B 88 0
SHEET 2 F 4 ALA B 134 SER B 142 -1 O GLY B 141 N ALA B 87
SHEET 3 F 4 ALA B 191 LYS B 203 -1 O LEU B 199 N CYS B 136
SHEET 4 F 4 PHE B 171 THR B 184 -1 N THR B 177 O SER B 198
SHEET 1 G 6 GLN C 73 PRO C 77 0
SHEET 2 G 6 LEU C 102 VAL C 106 -1 O ALA C 103 N VAL C 76
SHEET 3 G 6 GLU C 110 TYR C 113 -1 O LEU C 112 N ARG C 104
SHEET 4 G 6 GLU C 47 SER C 59 -1 N TRP C 58 O VAL C 111
SHEET 5 G 6 SER C 116 SER C 122 -1 O ILE C 117 N PHE C 52
SHEET 6 G 6 GLU C 96 VAL C 97 -1 N GLU C 96 O ARG C 118
SHEET 1 H 6 GLN C 73 PRO C 77 0
SHEET 2 H 6 LEU C 102 VAL C 106 -1 O ALA C 103 N VAL C 76
SHEET 3 H 6 GLU C 110 TYR C 113 -1 O LEU C 112 N ARG C 104
SHEET 4 H 6 GLU C 47 SER C 59 -1 N TRP C 58 O VAL C 111
SHEET 5 H 6 VAL C 27 ASN C 42 -1 N ILE C 36 O VAL C 51
SHEET 6 H 6 ILE C 150 ASP C 153 1 O SER C 151 N VAL C 29
SHEET 1 I 4 LEU C 86 ALA C 88 0
SHEET 2 I 4 ALA C 134 SER C 142 -1 O GLY C 141 N ALA C 87
SHEET 3 I 4 TYR C 192 LYS C 203 -1 O LEU C 199 N CYS C 136
SHEET 4 I 4 PHE C 171 VAL C 183 -1 N LYS C 179 O GLU C 196
SHEET 1 J 6 GLN D 73 PRO D 77 0
SHEET 2 J 6 LEU D 102 VAL D 106 -1 O ALA D 103 N VAL D 76
SHEET 3 J 6 GLU D 110 TYR D 113 -1 O LEU D 112 N ARG D 104
SHEET 4 J 6 GLU D 47 SER D 59 -1 N TRP D 58 O VAL D 111
SHEET 5 J 6 SER D 116 SER D 122 -1 O ILE D 117 N PHE D 52
SHEET 6 J 6 GLU D 96 VAL D 97 -1 N GLU D 96 O ARG D 118
SHEET 1 K 6 GLN D 73 PRO D 77 0
SHEET 2 K 6 LEU D 102 VAL D 106 -1 O ALA D 103 N VAL D 76
SHEET 3 K 6 GLU D 110 TYR D 113 -1 O LEU D 112 N ARG D 104
SHEET 4 K 6 GLU D 47 SER D 59 -1 N TRP D 58 O VAL D 111
SHEET 5 K 6 VAL D 27 ASN D 42 -1 N ILE D 36 O VAL D 51
SHEET 6 K 6 ILE D 150 ASP D 153 1 O SER D 151 N VAL D 29
SHEET 1 L 4 LEU D 86 ALA D 88 0
SHEET 2 L 4 ALA D 134 SER D 142 -1 O GLY D 141 N ALA D 87
SHEET 3 L 4 TYR D 192 LYS D 203 -1 O LEU D 199 N CYS D 136
SHEET 4 L 4 PHE D 171 VAL D 183 -1 N LYS D 179 O GLU D 196
SHEET 1 M 6 GLN E 73 PRO E 77 0
SHEET 2 M 6 LEU E 102 VAL E 106 -1 O VAL E 105 N VAL E 74
SHEET 3 M 6 GLU E 110 TYR E 113 -1 O LEU E 112 N ARG E 104
SHEET 4 M 6 GLU E 47 SER E 59 -1 N TRP E 58 O VAL E 111
SHEET 5 M 6 SER E 116 SER E 122 -1 O ILE E 117 N PHE E 52
SHEET 6 M 6 GLU E 96 VAL E 97 -1 N GLU E 96 O ARG E 118
SHEET 1 N 6 GLN E 73 PRO E 77 0
SHEET 2 N 6 LEU E 102 VAL E 106 -1 O VAL E 105 N VAL E 74
SHEET 3 N 6 GLU E 110 TYR E 113 -1 O LEU E 112 N ARG E 104
SHEET 4 N 6 GLU E 47 SER E 59 -1 N TRP E 58 O VAL E 111
SHEET 5 N 6 VAL E 27 ASN E 42 -1 N ILE E 36 O VAL E 51
SHEET 6 N 6 ILE E 150 ASP E 153 1 O SER E 151 N VAL E 29
SHEET 1 O 4 LEU E 86 ALA E 88 0
SHEET 2 O 4 ALA E 134 SER E 142 -1 O GLY E 141 N ALA E 87
SHEET 3 O 4 ALA E 191 LYS E 203 -1 O VAL E 195 N ILE E 140
SHEET 4 O 4 PHE E 171 THR E 184 -1 N LYS E 179 O GLU E 196
SHEET 1 P 6 GLN F 73 PRO F 77 0
SHEET 2 P 6 LEU F 102 VAL F 106 -1 O ALA F 103 N VAL F 76
SHEET 3 P 6 GLU F 110 TYR F 113 -1 O LEU F 112 N ARG F 104
SHEET 4 P 6 GLU F 47 SER F 59 -1 N TRP F 58 O VAL F 111
SHEET 5 P 6 SER F 116 SER F 122 -1 O ILE F 117 N PHE F 52
SHEET 6 P 6 GLU F 96 VAL F 97 -1 N GLU F 96 O ARG F 118
SHEET 1 Q 6 GLN F 73 PRO F 77 0
SHEET 2 Q 6 LEU F 102 VAL F 106 -1 O ALA F 103 N VAL F 76
SHEET 3 Q 6 GLU F 110 TYR F 113 -1 O LEU F 112 N ARG F 104
SHEET 4 Q 6 GLU F 47 SER F 59 -1 N TRP F 58 O VAL F 111
SHEET 5 Q 6 VAL F 27 ASN F 42 -1 N ILE F 36 O VAL F 51
SHEET 6 Q 6 ILE F 150 ASP F 153 1 O SER F 151 N VAL F 29
SHEET 1 R 4 LEU F 86 ALA F 88 0
SHEET 2 R 4 ALA F 134 SER F 142 -1 O GLY F 141 N ALA F 87
SHEET 3 R 4 ALA F 191 LYS F 203 -1 O LEU F 199 N CYS F 136
SHEET 4 R 4 PHE F 171 THR F 184 -1 N VAL F 183 O TYR F 192
SHEET 1 S 6 GLN G 73 PRO G 77 0
SHEET 2 S 6 LEU G 102 VAL G 106 -1 O ALA G 103 N VAL G 76
SHEET 3 S 6 GLU G 110 TYR G 113 -1 O LEU G 112 N ARG G 104
SHEET 4 S 6 GLU G 47 SER G 59 -1 N TRP G 58 O VAL G 111
SHEET 5 S 6 SER G 116 SER G 122 -1 O ILE G 117 N PHE G 52
SHEET 6 S 6 GLU G 96 VAL G 97 -1 N GLU G 96 O ARG G 118
SHEET 1 T 6 GLN G 73 PRO G 77 0
SHEET 2 T 6 LEU G 102 VAL G 106 -1 O ALA G 103 N VAL G 76
SHEET 3 T 6 GLU G 110 TYR G 113 -1 O LEU G 112 N ARG G 104
SHEET 4 T 6 GLU G 47 SER G 59 -1 N TRP G 58 O VAL G 111
SHEET 5 T 6 VAL G 27 ASN G 42 -1 N LYS G 34 O TRP G 53
SHEET 6 T 6 ILE G 150 PRO G 154 1 O SER G 151 N VAL G 29
SHEET 1 U 4 LEU G 86 ALA G 88 0
SHEET 2 U 4 ALA G 134 SER G 142 -1 O GLY G 141 N ALA G 87
SHEET 3 U 4 TYR G 192 LYS G 203 -1 O LEU G 199 N CYS G 136
SHEET 4 U 4 PHE G 171 VAL G 183 -1 N THR G 177 O SER G 198
SHEET 1 V 6 GLN H 73 PRO H 77 0
SHEET 2 V 6 LEU H 102 VAL H 106 -1 O VAL H 105 N VAL H 74
SHEET 3 V 6 GLU H 110 TYR H 113 -1 O LEU H 112 N ARG H 104
SHEET 4 V 6 GLU H 47 SER H 59 -1 N TRP H 58 O VAL H 111
SHEET 5 V 6 SER H 116 SER H 122 -1 O ILE H 117 N PHE H 52
SHEET 6 V 6 GLU H 96 VAL H 97 -1 N GLU H 96 O ARG H 118
SHEET 1 W 6 GLN H 73 PRO H 77 0
SHEET 2 W 6 LEU H 102 VAL H 106 -1 O VAL H 105 N VAL H 74
SHEET 3 W 6 GLU H 110 TYR H 113 -1 O LEU H 112 N ARG H 104
SHEET 4 W 6 GLU H 47 SER H 59 -1 N TRP H 58 O VAL H 111
SHEET 5 W 6 VAL H 27 ASN H 42 -1 N SER H 30 O THR H 57
SHEET 6 W 6 ILE H 150 PRO H 154 1 O SER H 151 N VAL H 29
SHEET 1 X 4 LEU H 86 ALA H 88 0
SHEET 2 X 4 ALA H 134 SER H 142 -1 O GLY H 141 N ALA H 87
SHEET 3 X 4 ALA H 191 LYS H 203 -1 O LEU H 199 N CYS H 136
SHEET 4 X 4 PHE H 171 THR H 184 -1 N LYS H 179 O GLU H 196
SHEET 1 Y 6 GLN I 73 PRO I 77 0
SHEET 2 Y 6 LEU I 102 VAL I 106 -1 O ALA I 103 N VAL I 76
SHEET 3 Y 6 GLU I 110 TYR I 113 -1 O LEU I 112 N ARG I 104
SHEET 4 Y 6 GLU I 47 SER I 59 -1 N TRP I 58 O VAL I 111
SHEET 5 Y 6 SER I 116 SER I 122 -1 O ILE I 117 N PHE I 52
SHEET 6 Y 6 GLU I 96 VAL I 97 -1 N GLU I 96 O ARG I 118
SHEET 1 Z 6 GLN I 73 PRO I 77 0
SHEET 2 Z 6 LEU I 102 VAL I 106 -1 O ALA I 103 N VAL I 76
SHEET 3 Z 6 GLU I 110 TYR I 113 -1 O LEU I 112 N ARG I 104
SHEET 4 Z 6 GLU I 47 SER I 59 -1 N TRP I 58 O VAL I 111
SHEET 5 Z 6 VAL I 27 ASN I 42 -1 N GLU I 40 O ASP I 49
SHEET 6 Z 6 ILE I 150 PRO I 154 1 O SER I 151 N VAL I 29
SHEET 1 AA 4 LEU I 86 ALA I 88 0
SHEET 2 AA 4 ALA I 134 SER I 142 -1 O GLY I 141 N ALA I 87
SHEET 3 AA 4 TYR I 192 LYS I 203 -1 O LEU I 199 N CYS I 136
SHEET 4 AA 4 PHE I 171 VAL I 183 -1 N THR I 177 O SER I 198
SHEET 1 AB 6 GLN J 73 PRO J 77 0
SHEET 2 AB 6 LEU J 102 VAL J 106 -1 O VAL J 105 N VAL J 74
SHEET 3 AB 6 GLU J 110 TYR J 113 -1 O LEU J 112 N ARG J 104
SHEET 4 AB 6 GLU J 47 SER J 59 -1 N TRP J 58 O VAL J 111
SHEET 5 AB 6 SER J 116 SER J 122 -1 O ILE J 117 N PHE J 52
SHEET 6 AB 6 GLU J 96 VAL J 97 -1 N GLU J 96 O ARG J 118
SHEET 1 AC 6 GLN J 73 PRO J 77 0
SHEET 2 AC 6 LEU J 102 VAL J 106 -1 O VAL J 105 N VAL J 74
SHEET 3 AC 6 GLU J 110 TYR J 113 -1 O LEU J 112 N ARG J 104
SHEET 4 AC 6 GLU J 47 SER J 59 -1 N TRP J 58 O VAL J 111
SHEET 5 AC 6 VAL J 27 ASN J 42 -1 N ASN J 37 O VAL J 51
SHEET 6 AC 6 ILE J 150 PRO J 154 1 O SER J 151 N VAL J 29
SHEET 1 AD 4 LEU J 86 ALA J 88 0
SHEET 2 AD 4 ALA J 134 SER J 142 -1 O GLY J 141 N ALA J 87
SHEET 3 AD 4 ALA J 191 LYS J 203 -1 O LEU J 199 N CYS J 136
SHEET 4 AD 4 PHE J 171 THR J 184 -1 N ASP J 175 O ASN J 200
SSBOND 1 CYS A 123 CYS A 136 1555 1555 2.04
SSBOND 2 CYS B 123 CYS B 136 1555 1555 2.04
SSBOND 3 CYS C 123 CYS C 136 1555 1555 2.04
SSBOND 4 CYS C 187 CYS C 188 1555 1555 2.06
SSBOND 5 CYS D 123 CYS D 136 1555 1555 2.05
SSBOND 6 CYS D 187 CYS D 188 1555 1555 2.05
SSBOND 7 CYS E 123 CYS E 136 1555 1555 2.05
SSBOND 8 CYS E 187 CYS E 188 1555 1555 2.04
SSBOND 9 CYS F 123 CYS F 136 1555 1555 2.04
SSBOND 10 CYS F 187 CYS F 188 1555 1555 2.04
SSBOND 11 CYS G 123 CYS G 136 1555 1555 2.03
SSBOND 12 CYS G 187 CYS G 188 1555 1555 2.05
SSBOND 13 CYS H 123 CYS H 136 1555 1555 2.04
SSBOND 14 CYS H 187 CYS H 188 1555 1555 2.05
SSBOND 15 CYS I 123 CYS I 136 1555 1555 2.06
SSBOND 16 CYS J 123 CYS J 136 1555 1555 2.05
SITE 1 AC1 7 TYR A 89 TRP A 143 TYR A 185 TYR A 192
SITE 2 AC1 7 HOH A 827 GLN B 73 ARG B 104
SITE 1 AC2 8 TYR B 89 TRP B 143 TYR B 185 TYR B 192
SITE 2 AC2 8 HOH B 221 GLN C 73 ARG C 104 MET C 114
SITE 1 AC3 7 TYR A 89 LYS A 139 THR A 184 TRP B 53
SITE 2 AC3 7 ASP B 160 GLU B 163 TYR B 164
SITE 1 AC4 9 LEU B 33 LYS B 34 PHE B 35 GLU B 157
SITE 2 AC4 9 ASP B 161 SER B 162 ILE B 173 VAL B 176
SITE 3 AC4 9 GLN B 178
SITE 1 AC5 4 ARG A 148 ARG B 3 ASP B 72 HOH B 513
SITE 1 AC6 2 ARG B 148 ASP C 72
SITE 1 AC7 8 TYR C 89 TRP C 143 TYR C 185 TYR C 192
SITE 2 AC7 8 GLN D 73 ARG D 104 MET D 114 HOH D 233
SITE 1 AC8 8 TYR D 89 TRP D 143 TYR D 185 TYR D 192
SITE 2 AC8 8 HOH D 216 ARG E 104 LEU E 112 MET E 114
SITE 1 AC9 10 GLN A 73 ARG A 104 LEU A 112 MET A 114
SITE 2 AC9 10 TYR E 89 TRP E 143 TYR E 185 CYS E 188
SITE 3 AC9 10 TYR E 192 HOH E 223
SITE 1 BC1 10 TYR F 89 TRP F 143 TYR F 185 CYS F 188
SITE 2 BC1 10 TYR F 192 GLN G 73 ARG G 104 LEU G 112
SITE 3 BC1 10 MET G 114 HOH G 225
SITE 1 BC2 9 TYR G 89 TRP G 143 TYR G 185 TYR G 192
SITE 2 BC2 9 HOH G 259 GLN H 73 ARG H 104 LEU H 112
SITE 3 BC2 9 MET H 114
SITE 1 BC3 5 ARG G 148 ARG H 3 PRO H 71 ASP H 72
SITE 2 BC3 5 HOH H 219
SITE 1 BC4 11 TYR H 89 SER H 142 TRP H 143 TYR H 185
SITE 2 BC4 11 TYR H 192 09Q H 213 TRP I 53 GLN I 73
SITE 3 BC4 11 ARG I 104 MET I 114 HOH I 221
SITE 1 BC5 8 TRP H 143 VAL H 183 THR H 184 TYR H 185
SITE 2 BC5 8 HOH H 795 ILE I 36 TRP I 53 TYR I 164
SITE 1 BC6 7 CYS H 187 CYS H 188 09Q H 211 TRP I 53
SITE 2 BC6 7 GLU I 110 LEU I 112 MET I 114
SITE 1 BC7 10 TYR I 89 TRP I 143 THR I 144 TYR I 185
SITE 2 BC7 10 TYR I 192 GLN J 73 ARG J 104 LEU J 112
SITE 3 BC7 10 MET J 114 HOH J 398
SITE 1 BC8 9 GLN F 73 ARG F 104 LEU F 112 MET F 114
SITE 2 BC8 9 HOH F 215 TYR J 89 TRP J 143 TYR J 185
SITE 3 BC8 9 TYR J 192
CRYST1 73.960 114.810 127.060 90.00 91.08 90.00 P 1 21 1 20
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 0.013521 0.000000 0.000255 0.00000
SCALE2 0.000000 0.008710 0.000000 0.00000
SCALE3 0.000000 0.000000 0.007872 0.00000
(ATOM LINES ARE NOT SHOWN.)
END
