Browse entries in the PDBbind-CN Database
HEADER TRANSCRIPTION, TRANSCRIPTION REGULATION 30-AUG-08 3ECH TITLE THE MARR-FAMILY REPRESSOR MEXR IN COMPLEX WITH ITS ANTIREPRESSOR ARMR COMPND MOL_ID: 1; COMPND 2 MOLECULE: MULTIDRUG RESISTANCE OPERON REPRESSOR; COMPND 3 CHAIN: A, B; COMPND 4 FRAGMENT: RESIDUES 1-142; COMPND 5 SYNONYM: MEXR; COMPND 6 ENGINEERED: YES; COMPND 7 MUTATION: YES; COMPND 8 MOL_ID: 2; COMPND 9 MOLECULE: 25-MER FRAGMENT OF PROTEIN ARMR; COMPND 10 CHAIN: C; COMPND 11 FRAGMENT: RESIDUES 29-53; COMPND 12 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; SOURCE 3 ORGANISM_TAXID: 287; SOURCE 4 GENE: MEXR, PA0424; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3); SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET41A; SOURCE 10 MOL_ID: 2; SOURCE 11 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; SOURCE 12 ORGANISM_TAXID: 287; SOURCE 13 GENE: PA3719; SOURCE 14 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 15 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 16 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3); SOURCE 17 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 18 EXPRESSION_SYSTEM_PLASMID: PTYB12 KEYWDS WINGED HELIX, HELIX-TURN-HELIX, PROTEIN-PEPTIDE COMPLEX, DNA-BINDING, KEYWDS 2 REPRESSOR, TRANSCRIPTION, TRANSCRIPTION REGULATION EXPDTA X-RAY DIFFRACTION AUTHOR M.S.WILKE,N.C.J.STRYNADKA REVDAT 4 25-OCT-17 3ECH 1 REMARK REVDAT 3 13-JUL-11 3ECH 1 VERSN REVDAT 2 24-FEB-09 3ECH 1 VERSN REVDAT 1 21-OCT-08 3ECH 0 JRNL AUTH M.S.WILKE,M.HELLER,A.L.CREAGH,C.A.HAYNES,L.P.MCINTOSH, JRNL AUTH 2 K.POOLE,N.C.J.STRYNADKA JRNL TITL THE CRYSTAL STRUCTURE OF MEXR FROM PSEUDOMONAS AERUGINOSA IN JRNL TITL 2 COMPLEX WITH ITS ANTIREPRESSOR ARMR JRNL REF PROC.NATL.ACAD.SCI.USA V. 105 14832 2008 JRNL REFN ISSN 0027-8424 JRNL PMID 18812515 JRNL DOI 10.1073/PNAS.0805489105 REMARK 2 REMARK 2 RESOLUTION. 1.80 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.2 REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON REMARK 3 REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.80 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 48.56 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 99.8 REMARK 3 NUMBER OF REFLECTIONS : 24697 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING + TEST SET) : 0.178 REMARK 3 R VALUE (WORKING SET) : 0.176 REMARK 3 FREE R VALUE : 0.229 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.100 REMARK 3 FREE R VALUE TEST SET COUNT : 1325 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 20 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.80 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.85 REMARK 3 REFLECTION IN BIN (WORKING SET) : 1759 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 97.68 REMARK 3 BIN R VALUE (WORKING SET) : 0.1810 REMARK 3 BIN FREE R VALUE SET COUNT : 96 REMARK 3 BIN FREE R VALUE : 0.2360 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 2346 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 212 REMARK 3 REMARK 3 B VALUES. REMARK 3 B VALUE TYPE : LIKELY RESIDUAL REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 12.53 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 0.81000 REMARK 3 B22 (A**2) : -0.04000 REMARK 3 B33 (A**2) : -0.77000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.00000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): 0.140 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.138 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.081 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 5.023 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.958 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.924 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 2502 ; 0.014 ; 0.021 REMARK 3 BOND LENGTHS OTHERS (A): 1737 ; 0.001 ; 0.020 REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 3411 ; 1.401 ; 1.980 REMARK 3 BOND ANGLES OTHERS (DEGREES): 4238 ; 0.966 ; 3.000 REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 315 ; 4.515 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 134 ;36.269 ;23.358 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 471 ;12.710 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 30 ;17.283 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 396 ; 0.087 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 2762 ; 0.006 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): 499 ; 0.001 ; 0.020 REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): 592 ; 0.237 ; 0.200 REMARK 3 NON-BONDED CONTACTS OTHERS (A): 1780 ; 0.189 ; 0.200 REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): 1216 ; 0.173 ; 0.200 REMARK 3 NON-BONDED TORSION OTHERS (A): 1313 ; 0.083 ; 0.200 REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): 167 ; 0.174 ; 0.200 REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW REFINED ATOMS (A): 36 ; 0.234 ; 0.200 REMARK 3 SYMMETRY VDW OTHERS (A): 85 ; 0.246 ; 0.200 REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): 28 ; 0.185 ; 0.200 REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): 1993 ; 1.032 ; 1.500 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): 584 ; 0.244 ; 1.500 REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 2444 ; 1.162 ; 2.000 REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 1084 ; 2.259 ; 3.000 REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 950 ; 3.357 ; 4.500 REMARK 3 SIDE-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 LONG RANGE B REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 LONG RANGE B OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 RIGID-BOND RESTRAINTS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; FREE ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; BONDED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 REMARK 3 NCS RESTRAINTS STATISTICS REMARK 3 NUMBER OF DIFFERENT NCS GROUPS : NULL REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : 19 REMARK 3 REMARK 3 TLS GROUP : 1 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : A 1 A 10 REMARK 3 ORIGIN FOR THE GROUP (A): 9.1694 -4.8075 1.2898 REMARK 3 T TENSOR REMARK 3 T11: 0.0998 T22: 0.0794 REMARK 3 T33: 0.0399 T12: 0.0250 REMARK 3 T13: -0.0512 T23: -0.0071 REMARK 3 L TENSOR REMARK 3 L11: 12.7218 L22: 6.6687 REMARK 3 L33: 6.8811 L12: 2.8610 REMARK 3 L13: 4.6245 L23: 1.2087 REMARK 3 S TENSOR REMARK 3 S11: 0.0535 S12: 0.2746 S13: -0.1805 REMARK 3 S21: 0.2124 S22: 0.0978 S23: -0.5016 REMARK 3 S31: 0.1938 S32: 0.7975 S33: -0.1513 REMARK 3 REMARK 3 TLS GROUP : 2 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : A 11 A 31 REMARK 3 ORIGIN FOR THE GROUP (A): -14.4651 -1.0087 -4.4370 REMARK 3 T TENSOR REMARK 3 T11: 0.0919 T22: 0.0548 REMARK 3 T33: 0.0401 T12: -0.0292 REMARK 3 T13: 0.0109 T23: 0.0160 REMARK 3 L TENSOR REMARK 3 L11: 14.7690 L22: 1.8761 REMARK 3 L33: 3.4992 L12: -2.7148 REMARK 3 L13: 5.1920 L23: -1.3326 REMARK 3 S TENSOR REMARK 3 S11: 0.1750 S12: -0.3524 S13: -0.0356 REMARK 3 S21: 0.0444 S22: 0.0526 S23: 0.2453 REMARK 3 S31: 0.1785 S32: -0.3561 S33: -0.2275 REMARK 3 REMARK 3 TLS GROUP : 3 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : A 32 A 62 REMARK 3 ORIGIN FOR THE GROUP (A): -15.8435 7.1256 -23.2954 REMARK 3 T TENSOR REMARK 3 T11: 0.1157 T22: 0.1143 REMARK 3 T33: 0.1334 T12: -0.0291 REMARK 3 T13: -0.0018 T23: -0.0318 REMARK 3 L TENSOR REMARK 3 L11: 3.2427 L22: 3.2564 REMARK 3 L33: 6.4678 L12: 1.0308 REMARK 3 L13: -2.3210 L23: -2.7816 REMARK 3 S TENSOR REMARK 3 S11: -0.0898 S12: 0.1994 S13: -0.1004 REMARK 3 S21: -0.1572 S22: 0.0415 S23: 0.0015 REMARK 3 S31: 0.1824 S32: -0.2078 S33: 0.0483 REMARK 3 REMARK 3 TLS GROUP : 4 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : A 66 A 76 REMARK 3 ORIGIN FOR THE GROUP (A): -20.8713 -0.0206 -28.0431 REMARK 3 T TENSOR REMARK 3 T11: 0.1114 T22: 0.0670 REMARK 3 T33: 0.2123 T12: -0.1291 REMARK 3 T13: 0.0442 T23: -0.2053 REMARK 3 L TENSOR REMARK 3 L11: 44.8332 L22: 27.7015 REMARK 3 L33: 13.9902 L12: -18.2467 REMARK 3 L13: -9.9000 L23: 10.9031 REMARK 3 S TENSOR REMARK 3 S11: 0.1882 S12: 1.4930 S13: -3.0029 REMARK 3 S21: -0.4741 S22: -0.3444 S23: -0.4582 REMARK 3 S31: 1.1230 S32: 0.2226 S33: 0.1562 REMARK 3 REMARK 3 TLS GROUP : 5 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : A 77 A 100 REMARK 3 ORIGIN FOR THE GROUP (A): -24.7893 11.1903 -26.6476 REMARK 3 T TENSOR REMARK 3 T11: 0.0831 T22: 0.1976 REMARK 3 T33: 0.0131 T12: -0.0534 REMARK 3 T13: -0.0241 T23: -0.0095 REMARK 3 L TENSOR REMARK 3 L11: 12.6880 L22: 4.5390 REMARK 3 L33: 5.5552 L12: 3.6499 REMARK 3 L13: -2.7931 L23: -2.6654 REMARK 3 S TENSOR REMARK 3 S11: -0.2945 S12: 0.9796 S13: 0.1667 REMARK 3 S21: -0.4452 S22: 0.3262 S23: 0.0766 REMARK 3 S31: 0.0707 S32: -0.5390 S33: -0.0317 REMARK 3 REMARK 3 TLS GROUP : 6 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : A 101 A 113 REMARK 3 ORIGIN FOR THE GROUP (A): -20.2705 11.6515 -11.6093 REMARK 3 T TENSOR REMARK 3 T11: 0.0424 T22: 0.0477 REMARK 3 T33: 0.0447 T12: 0.0222 REMARK 3 T13: -0.0028 T23: -0.0240 REMARK 3 L TENSOR REMARK 3 L11: 5.2072 L22: 2.1355 REMARK 3 L33: 8.0067 L12: -0.6155 REMARK 3 L13: 4.6285 L23: -1.0393 REMARK 3 S TENSOR REMARK 3 S11: -0.1335 S12: -0.0505 S13: 0.1341 REMARK 3 S21: 0.1045 S22: 0.0574 S23: -0.0877 REMARK 3 S31: -0.2153 S32: -0.1347 S33: 0.0761 REMARK 3 REMARK 3 TLS GROUP : 7 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : A 114 A 136 REMARK 3 ORIGIN FOR THE GROUP (A): -5.1484 9.2296 3.1129 REMARK 3 T TENSOR REMARK 3 T11: 0.0967 T22: 0.0433 REMARK 3 T33: 0.0274 T12: -0.0109 REMARK 3 T13: -0.0081 T23: -0.0128 REMARK 3 L TENSOR REMARK 3 L11: 3.0008 L22: 1.9702 REMARK 3 L33: 2.8550 L12: 0.4372 REMARK 3 L13: 0.7026 L23: 0.5547 REMARK 3 S TENSOR REMARK 3 S11: 0.0987 S12: -0.2209 S13: 0.0240 REMARK 3 S21: 0.0568 S22: -0.0331 S23: 0.0341 REMARK 3 S31: -0.0878 S32: -0.1416 S33: -0.0656 REMARK 3 REMARK 3 TLS GROUP : 8 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : A 137 A 142 REMARK 3 ORIGIN FOR THE GROUP (A): 9.6398 6.0726 -6.3656 REMARK 3 T TENSOR REMARK 3 T11: 0.1044 T22: 0.0888 REMARK 3 T33: 0.0996 T12: 0.0086 REMARK 3 T13: -0.0415 T23: -0.0451 REMARK 3 L TENSOR REMARK 3 L11: 24.7635 L22: 33.6587 REMARK 3 L33: 25.6937 L12: 3.8782 REMARK 3 L13: -21.9346 L23: 3.7447 REMARK 3 S TENSOR REMARK 3 S11: 0.1439 S12: -0.3095 S13: 0.0059 REMARK 3 S21: -0.0957 S22: -0.1222 S23: -0.7378 REMARK 3 S31: -0.0894 S32: 0.6127 S33: -0.0217 REMARK 3 REMARK 3 TLS GROUP : 9 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : B 1 B 5 REMARK 3 ORIGIN FOR THE GROUP (A): -12.1881 15.9085 7.2094 REMARK 3 T TENSOR REMARK 3 T11: 0.1645 T22: 0.0398 REMARK 3 T33: 0.0378 T12: 0.0193 REMARK 3 T13: 0.0146 T23: -0.0400 REMARK 3 L TENSOR REMARK 3 L11: 54.1331 L22: 1.1476 REMARK 3 L33: 23.5659 L12: -0.3170 REMARK 3 L13: -35.6182 L23: -0.1775 REMARK 3 S TENSOR REMARK 3 S11: 0.1765 S12: -0.9398 S13: 0.7341 REMARK 3 S21: 0.0727 S22: 0.3971 S23: 0.0137 REMARK 3 S31: -0.0548 S32: 0.3901 S33: -0.5736 REMARK 3 REMARK 3 TLS GROUP : 10 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : B 6 B 31 REMARK 3 ORIGIN FOR THE GROUP (A): 0.3104 2.2243 -11.7265 REMARK 3 T TENSOR REMARK 3 T11: 0.0601 T22: 0.0428 REMARK 3 T33: 0.0509 T12: 0.0072 REMARK 3 T13: -0.0044 T23: -0.0098 REMARK 3 L TENSOR REMARK 3 L11: 0.9093 L22: 4.6327 REMARK 3 L33: 4.1665 L12: -1.5932 REMARK 3 L13: -1.8165 L23: 3.4578 REMARK 3 S TENSOR REMARK 3 S11: 0.0551 S12: 0.0232 S13: -0.0192 REMARK 3 S21: -0.0780 S22: -0.0551 S23: -0.0469 REMARK 3 S31: -0.1182 S32: 0.0220 S33: 0.0000 REMARK 3 REMARK 3 TLS GROUP : 11 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : B 32 B 60 REMARK 3 ORIGIN FOR THE GROUP (A): -8.7756 -17.3174 -15.9813 REMARK 3 T TENSOR REMARK 3 T11: 0.1089 T22: 0.0809 REMARK 3 T33: 0.0645 T12: 0.0075 REMARK 3 T13: 0.0211 T23: -0.0283 REMARK 3 L TENSOR REMARK 3 L11: 6.7705 L22: 5.9090 REMARK 3 L33: 2.6158 L12: 3.7514 REMARK 3 L13: -2.6132 L23: -2.0719 REMARK 3 S TENSOR REMARK 3 S11: -0.0769 S12: -0.1618 S13: 0.0103 REMARK 3 S21: 0.1189 S22: 0.0732 S23: 0.1019 REMARK 3 S31: 0.0341 S32: -0.1493 S33: 0.0037 REMARK 3 REMARK 3 TLS GROUP : 12 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : B 61 B 78 REMARK 3 ORIGIN FOR THE GROUP (A): -10.2821 -17.7968 -25.5135 REMARK 3 T TENSOR REMARK 3 T11: 0.1104 T22: 0.0515 REMARK 3 T33: 0.0630 T12: 0.0100 REMARK 3 T13: 0.0022 T23: 0.0196 REMARK 3 L TENSOR REMARK 3 L11: 11.9918 L22: 6.4433 REMARK 3 L33: 8.0281 L12: -3.8753 REMARK 3 L13: -2.9100 L23: 0.7026 REMARK 3 S TENSOR REMARK 3 S11: 0.0101 S12: 0.0684 S13: 0.4515 REMARK 3 S21: -0.0676 S22: 0.1673 S23: 0.1604 REMARK 3 S31: -0.5114 S32: -0.5083 S33: -0.1774 REMARK 3 REMARK 3 TLS GROUP : 13 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : B 79 B 89 REMARK 3 ORIGIN FOR THE GROUP (A): -12.7444 -29.8253 -21.0200 REMARK 3 T TENSOR REMARK 3 T11: 0.0919 T22: 0.0363 REMARK 3 T33: 0.1208 T12: -0.0271 REMARK 3 T13: 0.0406 T23: -0.0104 REMARK 3 L TENSOR REMARK 3 L11: 12.4876 L22: 7.5083 REMARK 3 L33: 4.3560 L12: 6.7527 REMARK 3 L13: -4.2107 L23: -0.8152 REMARK 3 S TENSOR REMARK 3 S11: -0.2030 S12: 0.3104 S13: -0.1776 REMARK 3 S21: 0.1622 S22: 0.0952 S23: 0.5956 REMARK 3 S31: 0.4018 S32: -0.4723 S33: 0.1078 REMARK 3 REMARK 3 TLS GROUP : 14 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : B 90 B 106 REMARK 3 ORIGIN FOR THE GROUP (A): -7.8261 -26.0664 -18.6342 REMARK 3 T TENSOR REMARK 3 T11: 0.1030 T22: 0.0272 REMARK 3 T33: 0.0922 T12: -0.0066 REMARK 3 T13: 0.0346 T23: 0.0260 REMARK 3 L TENSOR REMARK 3 L11: 9.5649 L22: 4.6055 REMARK 3 L33: 3.5666 L12: 3.2833 REMARK 3 L13: 1.7533 L23: 2.1395 REMARK 3 S TENSOR REMARK 3 S11: -0.0044 S12: 0.1675 S13: -0.4961 REMARK 3 S21: 0.0679 S22: -0.0075 S23: 0.1038 REMARK 3 S31: 0.1512 S32: -0.2157 S33: 0.0119 REMARK 3 REMARK 3 TLS GROUP : 15 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : B 107 B 123 REMARK 3 ORIGIN FOR THE GROUP (A): 7.0718 -6.9526 -7.9673 REMARK 3 T TENSOR REMARK 3 T11: 0.0743 T22: 0.0538 REMARK 3 T33: 0.0657 T12: 0.0144 REMARK 3 T13: -0.0294 T23: -0.0055 REMARK 3 L TENSOR REMARK 3 L11: 0.2398 L22: 8.4266 REMARK 3 L33: 6.1554 L12: 1.1574 REMARK 3 L13: 0.3926 L23: 5.8514 REMARK 3 S TENSOR REMARK 3 S11: -0.0569 S12: -0.0399 S13: -0.0943 REMARK 3 S21: 0.0260 S22: 0.0738 S23: -0.1453 REMARK 3 S31: 0.0411 S32: 0.1210 S33: -0.0169 REMARK 3 REMARK 3 TLS GROUP : 16 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : B 124 B 141 REMARK 3 ORIGIN FOR THE GROUP (A): 1.2492 1.0957 7.0240 REMARK 3 T TENSOR REMARK 3 T11: 0.1069 T22: 0.0548 REMARK 3 T33: 0.0157 T12: -0.0108 REMARK 3 T13: -0.0452 T23: 0.0112 REMARK 3 L TENSOR REMARK 3 L11: 16.5875 L22: 4.2595 REMARK 3 L33: 2.5537 L12: 0.6157 REMARK 3 L13: 0.9486 L23: 0.5607 REMARK 3 S TENSOR REMARK 3 S11: 0.0009 S12: -0.7945 S13: -0.1298 REMARK 3 S21: 0.1608 S22: 0.0435 S23: 0.2013 REMARK 3 S31: 0.0350 S32: -0.1744 S33: -0.0444 REMARK 3 REMARK 3 TLS GROUP : 17 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : C 30 C 38 REMARK 3 ORIGIN FOR THE GROUP (A): 3.5219 14.5710 -12.5011 REMARK 3 T TENSOR REMARK 3 T11: 0.1375 T22: 0.0183 REMARK 3 T33: 0.0700 T12: -0.0299 REMARK 3 T13: 0.0241 T23: 0.0227 REMARK 3 L TENSOR REMARK 3 L11: 19.3339 L22: 1.8977 REMARK 3 L33: 7.7656 L12: -0.4376 REMARK 3 L13: 2.6604 L23: -1.4601 REMARK 3 S TENSOR REMARK 3 S11: -0.0879 S12: 0.7787 S13: 1.2430 REMARK 3 S21: 0.3140 S22: 0.1438 S23: 0.1009 REMARK 3 S31: -0.9277 S32: 0.4253 S33: -0.0559 REMARK 3 REMARK 3 TLS GROUP : 18 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : C 39 C 43 REMARK 3 ORIGIN FOR THE GROUP (A): -6.1302 9.9728 -14.7601 REMARK 3 T TENSOR REMARK 3 T11: 0.0426 T22: 0.0157 REMARK 3 T33: 0.1327 T12: 0.0226 REMARK 3 T13: 0.0347 T23: 0.0843 REMARK 3 L TENSOR REMARK 3 L11: 28.7448 L22: 14.9008 REMARK 3 L33: 8.7129 L12: 4.4523 REMARK 3 L13: 5.6811 L23: 11.2657 REMARK 3 S TENSOR REMARK 3 S11: 0.0995 S12: 0.8007 S13: 1.0523 REMARK 3 S21: 0.2436 S22: -0.1102 S23: 0.8904 REMARK 3 S31: 0.0247 S32: 0.1146 S33: 0.0107 REMARK 3 REMARK 3 TLS GROUP : 19 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : C 44 C 53 REMARK 3 ORIGIN FOR THE GROUP (A): -7.9737 -0.6581 -12.9890 REMARK 3 T TENSOR REMARK 3 T11: 0.0314 T22: 0.0284 REMARK 3 T33: 0.0333 T12: -0.0041 REMARK 3 T13: 0.0043 T23: -0.0199 REMARK 3 L TENSOR REMARK 3 L11: 7.6879 L22: 8.0966 REMARK 3 L33: 0.6048 L12: -6.3688 REMARK 3 L13: 0.6081 L23: -0.1568 REMARK 3 S TENSOR REMARK 3 S11: 0.1405 S12: 0.2507 S13: -0.1093 REMARK 3 S21: -0.0423 S22: -0.1810 S23: -0.0402 REMARK 3 S31: 0.0348 S32: -0.1429 S33: 0.0406 REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : MASK REMARK 3 PARAMETERS FOR MASK CALCULATION REMARK 3 VDW PROBE RADIUS : 1.40 REMARK 3 ION PROBE RADIUS : 0.80 REMARK 3 SHRINKAGE RADIUS : 0.80 REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN ADDED IN THE RIDING REMARK 3 POSITIONS REMARK 4 REMARK 4 3ECH COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 16-SEP-08. REMARK 100 THE DEPOSITION ID IS D_1000049149. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : NULL REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 5.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : ALS REMARK 200 BEAMLINE : 8.2.2 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.0000 REMARK 200 MONOCHROMATOR : KOHZU: DOUBLE CRYSTAL SI(111) REMARK 200 OPTICS : KOHZU: DOUBLE CRYSTAL SI(111) REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 315 REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000 REMARK 200 DATA SCALING SOFTWARE : HKL-2000 REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 26074 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.802 REMARK 200 RESOLUTION RANGE LOW (A) : 48.560 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : NULL REMARK 200 DATA REDUNDANCY : 7.900 REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : 0.06100 REMARK 200
FOR THE DATA SET : 35.1000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.80 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.86 REMARK 200 COMPLETENESS FOR SHELL (%) : NULL REMARK 200 DATA REDUNDANCY IN SHELL : 8.00 REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : 0.05600 REMARK 200
FOR SHELL : 3.000 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: PHASER, MOLREP REMARK 200 STARTING MODEL: PDB ENTRY 1LNW REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 35.16 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.90 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 20% PEG 3000, 0.1M SODIUM CITRATE, PH REMARK 280 5.5, MICROBATCH, TEMPERATURE 291K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X+1/2,-Y,Z+1/2 REMARK 290 3555 -X,Y+1/2,-Z+1/2 REMARK 290 4555 X+1/2,-Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 26.10050 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 45.96550 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 28.57550 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 45.96550 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 26.10050 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 28.57550 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: TRIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TRIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 7260 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 14970 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -67.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 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 ARG A 63 REMARK 465 ASP A 64 REMARK 465 LYS A 65 REMARK 465 GLU A 84 REMARK 465 ARG A 85 REMARK 465 ASN A 86 REMARK 465 PRO A 87 REMARK 465 SER A 88 REMARK 465 ASP A 89 REMARK 465 GLN A 90 REMARK 465 ARG A 91 REMARK 465 SER A 92 REMARK 465 PHE A 93 REMARK 465 CYS B 62 REMARK 465 ARG B 63 REMARK 465 ASP B 64 REMARK 465 LYS B 65 REMARK 465 ALA B 66 REMARK 465 LEU B 67 REMARK 465 GLN B 142 REMARK 465 ARG C 29 REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 ASN A 2 CG OD1 ND2 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 O HOH A 661 O HOH A 662 2.07 REMARK 500 O HOH B 620 O HOH B 698 2.11 REMARK 500 OE2 GLU B 76 O HOH B 544 2.16 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 ARG A 50 122.45 -36.45 REMARK 500 REMARK 500 REMARK: NULL DBREF 3ECH A 1 142 UNP P52003 MEXR_PSEAE 1 142 DBREF 3ECH B 1 142 UNP P52003 MEXR_PSEAE 1 142 DBREF 3ECH C 29 53 UNP Q9HXS2 Q9HXS2_PSEAE 29 53 SEQADV 3ECH LEU A 106 UNP P52003 GLN 106 ENGINEERED SEQADV 3ECH LEU A 110 UNP P52003 ALA 110 ENGINEERED SEQADV 3ECH LEU B 106 UNP P52003 GLN 106 ENGINEERED SEQADV 3ECH LEU B 110 UNP P52003 ALA 110 ENGINEERED SEQRES 1 A 142 MET ASN TYR PRO VAL ASN PRO ASP LEU MET PRO ALA LEU SEQRES 2 A 142 MET ALA VAL PHE GLN HIS VAL ARG THR ARG ILE GLN SER SEQRES 3 A 142 GLU LEU ASP CYS GLN ARG LEU ASP LEU THR PRO PRO ASP SEQRES 4 A 142 VAL HIS VAL LEU LYS LEU ILE ASP GLU GLN ARG GLY LEU SEQRES 5 A 142 ASN LEU GLN ASP LEU GLY ARG GLN MET CYS ARG ASP LYS SEQRES 6 A 142 ALA LEU ILE THR ARG LYS ILE ARG GLU LEU GLU GLY ARG SEQRES 7 A 142 ASN LEU VAL ARG ARG GLU ARG ASN PRO SER ASP GLN ARG SEQRES 8 A 142 SER PHE GLN LEU PHE LEU THR ASP GLU GLY LEU ALA ILE SEQRES 9 A 142 HIS LEU HIS ALA GLU LEU ILE MET SER ARG VAL HIS ASP SEQRES 10 A 142 GLU LEU PHE ALA PRO LEU THR PRO VAL GLU GLN ALA THR SEQRES 11 A 142 LEU VAL HIS LEU LEU ASP GLN CYS LEU ALA ALA GLN SEQRES 1 B 142 MET ASN TYR PRO VAL ASN PRO ASP LEU MET PRO ALA LEU SEQRES 2 B 142 MET ALA VAL PHE GLN HIS VAL ARG THR ARG ILE GLN SER SEQRES 3 B 142 GLU LEU ASP CYS GLN ARG LEU ASP LEU THR PRO PRO ASP SEQRES 4 B 142 VAL HIS VAL LEU LYS LEU ILE ASP GLU GLN ARG GLY LEU SEQRES 5 B 142 ASN LEU GLN ASP LEU GLY ARG GLN MET CYS ARG ASP LYS SEQRES 6 B 142 ALA LEU ILE THR ARG LYS ILE ARG GLU LEU GLU GLY ARG SEQRES 7 B 142 ASN LEU VAL ARG ARG GLU ARG ASN PRO SER ASP GLN ARG SEQRES 8 B 142 SER PHE GLN LEU PHE LEU THR ASP GLU GLY LEU ALA ILE SEQRES 9 B 142 HIS LEU HIS ALA GLU LEU ILE MET SER ARG VAL HIS ASP SEQRES 10 B 142 GLU LEU PHE ALA PRO LEU THR PRO VAL GLU GLN ALA THR SEQRES 11 B 142 LEU VAL HIS LEU LEU ASP GLN CYS LEU ALA ALA GLN SEQRES 1 C 25 ARG ARG ASP TYR THR GLU GLN LEU ARG ARG ALA ALA ARG SEQRES 2 C 25 ARG ASN ALA TRP ASP LEU TYR GLY GLU HIS PHE TYR FORMUL 4 HOH *212(H2 O) HELIX 1 1 ASP A 8 GLN A 31 1 24 HELIX 2 2 THR A 36 GLN A 49 1 14 HELIX 3 3 ASN A 53 CYS A 62 1 10 HELIX 4 4 ALA A 66 ARG A 78 1 13 HELIX 5 5 THR A 98 ALA A 121 1 24 HELIX 6 6 THR A 124 ALA A 141 1 18 HELIX 7 7 ASP B 8 GLN B 31 1 24 HELIX 8 8 THR B 36 GLN B 49 1 14 HELIX 9 9 LEU B 54 MET B 61 1 8 HELIX 10 10 ILE B 68 ARG B 78 1 11 HELIX 11 11 THR B 98 ALA B 121 1 24 HELIX 12 12 THR B 124 ALA B 141 1 18 HELIX 13 13 ASP C 31 ASN C 43 1 13 HELIX 14 14 ASN C 43 GLU C 50 1 8 SHEET 1 A 2 VAL A 81 ARG A 82 0 SHEET 2 A 2 PHE A 96 LEU A 97 -1 O PHE A 96 N ARG A 82 SHEET 1 B 3 LEU B 52 ASN B 53 0 SHEET 2 B 3 PHE B 93 LEU B 97 -1 O LEU B 95 N LEU B 52 SHEET 3 B 3 VAL B 81 ARG B 85 -1 N ARG B 82 O PHE B 96 CRYST1 52.201 57.151 91.931 90.00 90.00 90.00 P 21 21 21 8 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.019157 0.000000 0.000000 0.00000 SCALE2 0.000000 0.017498 0.000000 0.00000 SCALE3 0.000000 0.000000 0.010878 0.00000 ATOM 1 N MET A 1 18.992 3.197 -3.064 1.00 26.17 N ATOM 2 CA MET A 1 19.199 2.146 -2.024 1.00 25.46 C ATOM 3 C MET A 1 18.008 1.214 -1.983 1.00 25.08 C ATOM 4 O MET A 1 16.865 1.670 -1.959 1.00 25.72 O ATOM 5 CB MET A 1 19.402 2.783 -0.650 1.00 26.23 C ATOM 6 CG MET A 1 19.648 1.783 0.473 1.00 26.84 C ATOM 7 SD MET A 1 21.029 0.671 0.152 1.00 29.63 S ATOM 8 CE MET A 1 22.415 1.815 0.099 1.00 28.24 C ATOM 9 N ASN A 2 18.283 -0.090 -1.969 1.00 24.10 N ATOM 10 CA ASN A 2 17.247 -1.120 -1.998 1.00 23.21 C ATOM 11 C ASN A 2 17.277 -1.907 -0.675 1.00 22.20 C ATOM 12 O ASN A 2 18.327 -2.364 -0.225 1.00 21.92 O ATOM 13 CB ASN A 2 17.411 -2.033 -3.261 1.00 23.82 C ATOM 14 N TYR A 3 16.119 -2.007 -0.032 1.00 20.87 N ATOM 15 CA TYR A 3 15.983 -2.710 1.234 1.00 19.76 C ATOM 16 C TYR A 3 15.216 -4.011 1.029 1.00 19.16 C ATOM 17 O TYR A 3 14.546 -4.162 0.003 1.00 18.49 O ATOM 18 CB TYR A 3 15.238 -1.802 2.203 1.00 19.55 C ATOM 19 CG TYR A 3 16.015 -0.541 2.482 1.00 18.79 C ATOM 20 CD1 TYR A 3 15.804 0.614 1.744 1.00 18.66 C ATOM 21 CD2 TYR A 3 16.994 -0.518 3.469 1.00 19.18 C ATOM 22 CE1 TYR A 3 16.545 1.764 2.001 1.00 18.41 C ATOM 23 CE2 TYR A 3 17.735 0.613 3.717 1.00 18.87 C ATOM 24 CZ TYR A 3 17.502 1.750 2.987 1.00 19.31 C ATOM 25 OH TYR A 3 18.246 2.875 3.249 1.00 18.57 O ATOM 26 N PRO A 4 15.270 -4.935 2.017 1.00 17.73 N ATOM 27 CA PRO A 4 14.417 -6.119 1.889 1.00 17.59 C ATOM 28 C PRO A 4 12.940 -5.730 1.926 1.00 16.69 C ATOM 29 O PRO A 4 12.579 -4.784 2.617 1.00 16.03 O ATOM 30 CB PRO A 4 14.755 -6.966 3.117 1.00 18.12 C ATOM 31 CG PRO A 4 15.822 -6.228 3.877 1.00 18.21 C ATOM 32 CD PRO A 4 16.032 -4.899 3.277 1.00 17.80 C ATOM 33 N VAL A 5 12.091 -6.476 1.233 1.00 15.59 N ATOM 34 CA VAL A 5 10.707 -6.042 1.058 1.00 15.87 C ATOM 35 C VAL A 5 9.723 -6.732 1.987 1.00 15.47 C ATOM 36 O VAL A 5 9.682 -7.958 2.069 1.00 16.11 O ATOM 37 CB VAL A 5 10.242 -6.181 -0.410 1.00 16.25 C ATOM 38 CG1 VAL A 5 8.761 -5.821 -0.504 1.00 16.18 C ATOM 39 CG2 VAL A 5 11.077 -5.268 -1.298 1.00 17.38 C ATOM 40 N ASN A 6 8.961 -5.913 2.707 1.00 14.00 N ATOM 41 CA ASN A 6 7.992 -6.377 3.673 1.00 15.52 C ATOM 42 C ASN A 6 6.908 -7.171 2.924 1.00 15.90 C ATOM 43 O ASN A 6 6.284 -6.638 2.012 1.00 15.79 O ATOM 44 CB ASN A 6 7.400 -5.161 4.364 1.00 15.60 C ATOM 45 CG ASN A 6 6.488 -5.517 5.496 1.00 15.67 C ATOM 46 OD1 ASN A 6 5.638 -6.388 5.379 1.00 19.70 O ATOM 47 ND2 ASN A 6 6.641 -4.821 6.601 1.00 12.60 N ATOM 48 N PRO A 7 6.712 -8.445 3.291 1.00 16.24 N ATOM 49 CA PRO A 7 5.779 -9.293 2.553 1.00 16.27 C ATOM 50 C PRO A 7 4.295 -8.928 2.720 1.00 15.82 C ATOM 51 O PRO A 7 3.462 -9.445 1.946 1.00 15.28 O ATOM 52 CB PRO A 7 6.048 -10.691 3.124 1.00 16.40 C ATOM 53 CG PRO A 7 6.558 -10.467 4.476 1.00 17.74 C ATOM 54 CD PRO A 7 7.302 -9.148 4.445 1.00 16.87 C ATOM 55 N ASP A 8 3.930 -8.058 3.658 1.00 15.99 N ATOM 56 CA AASP A 8 2.556 -7.564 3.849 0.70 16.31 C ATOM 57 CA BASP A 8 2.490 -7.709 3.649 0.30 15.94 C ATOM 58 C ASP A 8 2.173 -6.421 2.916 1.00 16.03 C ATOM 59 O ASP A 8 0.989 -6.064 2.804 1.00 16.18 O ATOM 60 CB AASP A 8 2.364 -7.098 5.309 0.70 16.39 C ATOM 61 CB BASP A 8 1.765 -7.805 5.006 0.30 15.78 C ATOM 62 CG AASP A 8 2.499 -8.237 6.315 0.70 19.16 C ATOM 63 CG BASP A 8 0.258 -8.156 4.837 0.30 15.28 C ATOM 64 OD1AASP A 8 2.084 -9.370 5.973 0.70 18.75 O ATOM 65 OD1BASP A 8 -0.097 -9.364 4.879 0.30 14.98 O ATOM 66 OD2AASP A 8 3.004 -7.987 7.443 0.70 18.92 O ATOM 67 OD2BASP A 8 -0.568 -7.233 4.615 0.30 12.25 O ATOM 68 N LEU A 9 3.170 -5.808 2.279 1.00 16.22 N ATOM 69 CA LEU A 9 2.911 -4.593 1.481 1.00 15.81 C ATOM 70 C LEU A 9 2.096 -4.863 0.217 1.00 15.10 C ATOM 71 O LEU A 9 1.115 -4.177 -0.051 1.00 14.13 O ATOM 72 CB LEU A 9 4.193 -3.888 1.081 1.00 16.77 C ATOM 73 CG LEU A 9 4.673 -2.780 2.014 1.00 17.75 C ATOM 74 CD1 LEU A 9 6.039 -2.228 1.599 1.00 17.50 C ATOM 75 CD2 LEU A 9 3.656 -1.625 2.141 1.00 16.79 C ATOM 76 N MET A 10 2.482 -5.860 -0.561 1.00 14.30 N ATOM 77 CA MET A 10 1.734 -6.106 -1.821 1.00 14.21 C ATOM 78 C MET A 10 0.271 -6.471 -1.485 1.00 13.49 C ATOM 79 O MET A 10 -0.652 -5.900 -2.033 1.00 12.53 O ATOM 80 CB AMET A 10 2.417 -7.153 -2.691 0.40 14.36 C ATOM 81 CB BMET A 10 2.422 -7.182 -2.676 0.60 14.51 C ATOM 82 CG AMET A 10 1.630 -7.474 -3.939 0.40 14.82 C ATOM 83 CG BMET A 10 1.630 -7.636 -3.913 0.60 14.74 C ATOM 84 SD AMET A 10 0.355 -8.703 -3.617 0.40 17.15 S ATOM 85 SD BMET A 10 2.518 -8.802 -4.982 0.60 14.66 S ATOM 86 CE AMET A 10 1.353 -10.187 -3.865 0.40 14.32 C ATOM 87 CE BMET A 10 1.354 -9.163 -6.280 0.60 18.05 C ATOM 88 N PRO A 11 0.049 -7.417 -0.546 1.00 12.48 N ATOM 89 CA PRO A 11 -1.351 -7.703 -0.183 1.00 12.88 C ATOM 90 C PRO A 11 -2.124 -6.500 0.360 1.00 12.74 C ATOM 91 O PRO A 11 -3.301 -6.367 0.076 1.00 12.83 O ATOM 92 CB PRO A 11 -1.231 -8.771 0.921 1.00 12.69 C ATOM 93 CG PRO A 11 0.092 -9.312 0.823 1.00 12.77 C ATOM 94 CD PRO A 11 0.990 -8.292 0.162 1.00 12.91 C ATOM 95 N ALA A 12 -1.470 -5.642 1.136 1.00 13.45 N ATOM 96 CA ALA A 12 -2.127 -4.455 1.695 1.00 13.81 C ATOM 97 C ALA A 12 -2.601 -3.487 0.608 1.00 13.68 C ATOM 98 O ALA A 12 -3.715 -2.969 0.644 1.00 14.70 O ATOM 99 CB ALA A 12 -1.169 -3.731 2.676 1.00 14.05 C ATOM 100 N LEU A 13 -1.744 -3.272 -0.380 1.00 13.56 N ATOM 101 CA LEU A 13 -2.035 -2.437 -1.525 1.00 13.55 C ATOM 102 C LEU A 13 -3.134 -3.057 -2.402 1.00 13.20 C ATOM 103 O LEU A 13 -4.067 -2.372 -2.783 1.00 14.38 O ATOM 104 CB LEU A 13 -0.745 -2.211 -2.313 1.00 13.07 C ATOM 105 CG LEU A 13 -0.866 -1.245 -3.478 1.00 13.03 C ATOM 106 CD1 LEU A 13 -1.284 0.131 -2.932 1.00 10.22 C ATOM 107 CD2 LEU A 13 0.420 -1.137 -4.322 1.00 12.47 C ATOM 108 N MET A 14 -3.021 -4.351 -2.718 1.00 13.69 N ATOM 109 CA MET A 14 -4.050 -5.080 -3.473 1.00 14.21 C ATOM 110 C MET A 14 -5.432 -5.024 -2.783 1.00 13.54 C ATOM 111 O MET A 14 -6.470 -4.817 -3.451 1.00 11.81 O ATOM 112 CB MET A 14 -3.572 -6.522 -3.727 1.00 13.44 C ATOM 113 CG MET A 14 -4.562 -7.390 -4.430 1.00 15.34 C ATOM 114 SD MET A 14 -3.805 -8.926 -4.973 1.00 21.50 S ATOM 115 CE MET A 14 -2.067 -8.494 -4.876 1.00 19.46 C ATOM 116 N ALA A 15 -5.452 -5.179 -1.455 1.00 12.49 N ATOM 117 CA ALA A 15 -6.694 -5.139 -0.682 1.00 12.26 C ATOM 118 C ALA A 15 -7.399 -3.773 -0.788 1.00 10.93 C ATOM 119 O ALA A 15 -8.651 -3.671 -0.912 1.00 11.13 O ATOM 120 CB ALA A 15 -6.420 -5.475 0.792 1.00 11.65 C ATOM 121 N VAL A 16 -6.614 -2.722 -0.710 1.00 11.32 N ATOM 122 CA VAL A 16 -7.142 -1.381 -0.895 1.00 11.80 C ATOM 123 C VAL A 16 -7.749 -1.252 -2.286 1.00 11.45 C ATOM 124 O VAL A 16 -8.853 -0.745 -2.433 1.00 12.07 O ATOM 125 CB VAL A 16 -6.090 -0.298 -0.671 1.00 11.49 C ATOM 126 CG1 VAL A 16 -6.680 1.111 -1.029 1.00 12.15 C ATOM 127 CG2 VAL A 16 -5.673 -0.305 0.818 1.00 11.75 C ATOM 128 N PHE A 17 -7.005 -1.631 -3.310 1.00 12.23 N ATOM 129 CA PHE A 17 -7.544 -1.560 -4.664 1.00 12.72 C ATOM 130 C PHE A 17 -8.891 -2.298 -4.807 1.00 12.70 C ATOM 131 O PHE A 17 -9.843 -1.788 -5.412 1.00 12.58 O ATOM 132 CB PHE A 17 -6.525 -2.097 -5.675 1.00 11.59 C ATOM 133 CG PHE A 17 -7.028 -2.055 -7.102 1.00 11.66 C ATOM 134 CD1 PHE A 17 -6.822 -0.933 -7.916 1.00 10.42 C ATOM 135 CD2 PHE A 17 -7.711 -3.141 -7.625 1.00 11.46 C ATOM 136 CE1 PHE A 17 -7.279 -0.911 -9.228 1.00 11.30 C ATOM 137 CE2 PHE A 17 -8.178 -3.128 -8.923 1.00 11.59 C ATOM 138 CZ PHE A 17 -7.974 -2.008 -9.736 1.00 12.94 C ATOM 139 N GLN A 18 -8.919 -3.530 -4.332 1.00 13.58 N ATOM 140 CA GLN A 18 -10.101 -4.386 -4.469 1.00 14.72 C ATOM 141 C GLN A 18 -11.280 -3.809 -3.685 1.00 14.63 C ATOM 142 O GLN A 18 -12.403 -3.848 -4.154 1.00 14.46 O ATOM 143 CB GLN A 18 -9.768 -5.796 -4.041 1.00 15.49 C ATOM 144 CG GLN A 18 -8.756 -6.479 -4.989 1.00 16.89 C ATOM 145 CD GLN A 18 -8.307 -7.856 -4.521 1.00 19.59 C ATOM 146 OE1 GLN A 18 -8.417 -8.209 -3.333 1.00 23.20 O ATOM 147 NE2 GLN A 18 -7.794 -8.670 -5.477 1.00 22.08 N ATOM 148 N HIS A 19 -11.001 -3.249 -2.509 1.00 14.31 N ATOM 149 CA AHIS A 19 -12.024 -2.578 -1.707 0.50 14.43 C ATOM 150 CA BHIS A 19 -12.022 -2.574 -1.703 0.50 14.51 C ATOM 151 C HIS A 19 -12.644 -1.412 -2.477 1.00 14.31 C ATOM 152 O HIS A 19 -13.874 -1.310 -2.605 1.00 14.18 O ATOM 153 CB AHIS A 19 -11.436 -2.071 -0.389 0.50 13.78 C ATOM 154 CB BHIS A 19 -11.422 -2.053 -0.393 0.50 14.04 C ATOM 155 CG AHIS A 19 -12.433 -1.360 0.476 0.50 14.63 C ATOM 156 CG BHIS A 19 -12.430 -1.431 0.527 0.50 15.12 C ATOM 157 ND1AHIS A 19 -13.599 -1.958 0.899 0.50 13.53 N ATOM 158 ND1BHIS A 19 -12.719 -0.083 0.519 0.50 16.18 N ATOM 159 CD2AHIS A 19 -12.449 -0.103 0.978 0.50 14.86 C ATOM 160 CD2BHIS A 19 -13.233 -1.980 1.466 0.50 15.41 C ATOM 161 CE1AHIS A 19 -14.286 -1.100 1.633 0.50 14.88 C ATOM 162 CE1BHIS A 19 -13.640 0.173 1.426 0.50 15.05 C ATOM 163 NE2AHIS A 19 -13.608 0.033 1.696 0.50 13.77 N ATOM 164 NE2BHIS A 19 -13.977 -0.961 2.011 0.50 16.79 N ATOM 165 N VAL A 20 -11.791 -0.545 -3.012 1.00 14.84 N ATOM 166 CA VAL A 20 -12.259 0.616 -3.749 1.00 14.58 C ATOM 167 C VAL A 20 -13.048 0.217 -4.994 1.00 14.64 C ATOM 168 O VAL A 20 -14.144 0.757 -5.225 1.00 14.37 O ATOM 169 CB VAL A 20 -11.137 1.567 -4.116 1.00 14.76 C ATOM 170 CG1 VAL A 20 -11.667 2.705 -4.991 1.00 17.12 C ATOM 171 CG2 VAL A 20 -10.498 2.117 -2.841 1.00 15.81 C ATOM 172 N ARG A 21 -12.543 -0.765 -5.730 1.00 14.96 N ATOM 173 CA ARG A 21 -13.222 -1.222 -6.949 1.00 15.30 C ATOM 174 C ARG A 21 -14.656 -1.701 -6.624 1.00 15.44 C ATOM 175 O ARG A 21 -15.626 -1.339 -7.309 1.00 16.42 O ATOM 176 CB ARG A 21 -12.386 -2.286 -7.632 1.00 15.94 C ATOM 177 CG ARG A 21 -12.947 -2.762 -8.989 1.00 17.10 C ATOM 178 CD ARG A 21 -12.004 -3.771 -9.681 1.00 19.39 C ATOM 179 NE ARG A 21 -11.668 -4.938 -8.862 1.00 22.16 N ATOM 180 CZ ARG A 21 -10.717 -5.829 -9.175 1.00 23.98 C ATOM 181 NH1 ARG A 21 -10.023 -5.720 -10.309 1.00 24.52 N ATOM 182 NH2 ARG A 21 -10.456 -6.856 -8.369 1.00 26.30 N ATOM 183 N THR A 22 -14.769 -2.513 -5.573 1.00 14.29 N ATOM 184 CA THR A 22 -16.029 -3.020 -5.079 1.00 14.02 C ATOM 185 C THR A 22 -16.970 -1.946 -4.605 1.00 13.84 C ATOM 186 O THR A 22 -18.142 -1.970 -4.976 1.00 13.92 O ATOM 187 CB THR A 22 -15.796 -4.078 -3.956 1.00 13.77 C ATOM 188 OG1 THR A 22 -15.151 -5.204 -4.546 1.00 14.00 O ATOM 189 CG2 THR A 22 -17.107 -4.522 -3.312 1.00 15.03 C ATOM 190 N ARG A 23 -16.458 -0.976 -3.849 1.00 13.52 N ATOM 191 CA ARG A 23 -17.278 0.119 -3.340 1.00 13.11 C ATOM 192 C ARG A 23 -17.809 1.036 -4.447 1.00 12.21 C ATOM 193 O ARG A 23 -18.960 1.470 -4.392 1.00 11.07 O ATOM 194 CB ARG A 23 -16.521 0.941 -2.297 1.00 14.03 C ATOM 195 CG ARG A 23 -16.255 0.213 -0.987 1.00 17.77 C ATOM 196 CD ARG A 23 -17.499 -0.038 -0.183 1.00 22.63 C ATOM 197 NE ARG A 23 -18.190 1.208 0.138 1.00 23.58 N ATOM 198 CZ ARG A 23 -19.414 1.539 -0.250 1.00 26.58 C ATOM 199 NH1 ARG A 23 -20.211 0.692 -0.920 1.00 29.12 N ATOM 200 NH2 ARG A 23 -19.876 2.734 0.092 1.00 28.60 N ATOM 201 N ILE A 24 -16.980 1.334 -5.441 1.00 12.21 N ATOM 202 CA ILE A 24 -17.419 2.176 -6.578 1.00 12.24 C ATOM 203 C ILE A 24 -18.582 1.470 -7.266 1.00 12.33 C ATOM 204 O ILE A 24 -19.612 2.076 -7.538 1.00 12.27 O ATOM 205 CB ILE A 24 -16.248 2.439 -7.579 1.00 12.41 C ATOM 206 CG1 ILE A 24 -15.230 3.414 -6.966 1.00 13.09 C ATOM 207 CG2 ILE A 24 -16.759 2.996 -8.965 1.00 10.53 C ATOM 208 CD1 ILE A 24 -13.935 3.404 -7.710 1.00 13.00 C ATOM 209 N GLN A 25 -18.423 0.190 -7.556 1.00 11.93 N ATOM 210 CA GLN A 25 -19.500 -0.512 -8.261 1.00 12.40 C ATOM 211 C GLN A 25 -20.769 -0.563 -7.434 1.00 12.68 C ATOM 212 O GLN A 25 -21.871 -0.361 -7.961 1.00 11.90 O ATOM 213 CB GLN A 25 -19.072 -1.908 -8.683 1.00 12.84 C ATOM 214 CG GLN A 25 -20.047 -2.556 -9.668 1.00 11.60 C ATOM 215 CD GLN A 25 -20.211 -1.771 -10.965 1.00 11.88 C ATOM 216 OE1 GLN A 25 -19.353 -1.810 -11.824 1.00 13.89 O ATOM 217 NE2 GLN A 25 -21.351 -1.128 -11.140 1.00 11.94 N ATOM 218 N SER A 26 -20.628 -0.831 -6.138 1.00 13.38 N ATOM 219 CA SER A 26 -21.754 -0.844 -5.222 1.00 14.44 C ATOM 220 C SER A 26 -22.517 0.503 -5.202 1.00 14.52 C ATOM 221 O SER A 26 -23.742 0.523 -5.225 1.00 14.13 O ATOM 222 CB SER A 26 -21.263 -1.225 -3.822 1.00 14.34 C ATOM 223 OG SER A 26 -22.309 -1.144 -2.891 1.00 20.14 O ATOM 224 N GLU A 27 -21.780 1.606 -5.195 1.00 14.60 N ATOM 225 CA GLU A 27 -22.378 2.944 -5.182 1.00 14.78 C ATOM 226 C GLU A 27 -23.015 3.303 -6.516 1.00 14.55 C ATOM 227 O GLU A 27 -24.126 3.845 -6.527 1.00 14.31 O ATOM 228 CB GLU A 27 -21.353 4.005 -4.727 1.00 15.49 C ATOM 229 CG GLU A 27 -21.020 3.976 -3.215 1.00 17.03 C ATOM 230 CD GLU A 27 -22.249 4.136 -2.316 1.00 21.18 C ATOM 231 OE1 GLU A 27 -22.978 5.138 -2.423 1.00 21.85 O ATOM 232 OE2 GLU A 27 -22.493 3.226 -1.494 1.00 25.50 O ATOM 233 N LEU A 28 -22.358 2.977 -7.637 1.00 13.88 N ATOM 234 CA LEU A 28 -23.015 3.105 -8.954 1.00 14.61 C ATOM 235 C LEU A 28 -24.328 2.319 -9.006 1.00 14.99 C ATOM 236 O LEU A 28 -25.302 2.790 -9.560 1.00 16.21 O ATOM 237 CB LEU A 28 -22.108 2.625 -10.101 1.00 14.54 C ATOM 238 CG LEU A 28 -20.789 3.400 -10.280 1.00 13.25 C ATOM 239 CD1 LEU A 28 -19.884 2.751 -11.320 1.00 10.46 C ATOM 240 CD2 LEU A 28 -21.043 4.847 -10.708 1.00 9.96 C ATOM 241 N ASP A 29 -24.346 1.108 -8.462 1.00 14.68 N ATOM 242 CA ASP A 29 -25.591 0.330 -8.446 1.00 15.62 C ATOM 243 C ASP A 29 -26.606 0.893 -7.451 1.00 15.56 C ATOM 244 O ASP A 29 -27.826 0.898 -7.705 1.00 15.86 O ATOM 245 CB ASP A 29 -25.300 -1.122 -8.132 1.00 15.95 C ATOM 246 CG ASP A 29 -24.467 -1.790 -9.206 1.00 16.56 C ATOM 247 OD1 ASP A 29 -24.499 -1.325 -10.362 1.00 20.39 O ATOM 248 OD2 ASP A 29 -23.845 -2.809 -8.893 1.00 20.72 O ATOM 249 N CYS A 30 -26.120 1.411 -6.338 1.00 15.63 N ATOM 250 CA ACYS A 30 -27.007 1.990 -5.313 0.50 15.85 C ATOM 251 CA BCYS A 30 -27.011 1.959 -5.322 0.50 15.59 C ATOM 252 C CYS A 30 -27.793 3.163 -5.859 1.00 15.66 C ATOM 253 O CYS A 30 -28.948 3.377 -5.487 1.00 14.62 O ATOM 254 CB ACYS A 30 -26.230 2.459 -4.086 0.50 15.93 C ATOM 255 CB BCYS A 30 -26.227 2.342 -4.074 0.50 15.54 C ATOM 256 SG ACYS A 30 -26.066 1.217 -2.844 0.50 18.91 S ATOM 257 SG BCYS A 30 -27.273 2.707 -2.699 0.50 16.45 S ATOM 258 N GLN A 31 -27.154 3.940 -6.722 1.00 15.34 N ATOM 259 CA GLN A 31 -27.803 5.070 -7.366 1.00 15.63 C ATOM 260 C GLN A 31 -28.532 4.695 -8.650 1.00 15.07 C ATOM 261 O GLN A 31 -29.008 5.578 -9.362 1.00 16.39 O ATOM 262 CB GLN A 31 -26.771 6.185 -7.609 1.00 16.35 C ATOM 263 CG GLN A 31 -26.157 6.709 -6.312 1.00 18.68 C ATOM 264 CD GLN A 31 -27.235 7.249 -5.368 1.00 21.23 C ATOM 265 OE1 GLN A 31 -28.255 7.808 -5.812 1.00 19.99 O ATOM 266 NE2 GLN A 31 -27.025 7.063 -4.062 1.00 21.84 N ATOM 267 N ARG A 32 -28.641 3.396 -8.927 1.00 14.06 N ATOM 268 CA ARG A 32 -29.284 2.874 -10.138 1.00 14.21 C ATOM 269 C ARG A 32 -28.768 3.515 -11.409 1.00 13.41 C ATOM 270 O ARG A 32 -29.523 3.793 -12.341 1.00 12.88 O ATOM 271 CB ARG A 32 -30.810 2.994 -10.035 1.00 14.61 C ATOM 272 CG ARG A 32 -31.346 2.329 -8.791 1.00 15.98 C ATOM 273 CD ARG A 32 -32.830 2.154 -8.860 1.00 17.85 C ATOM 274 NE ARG A 32 -33.517 3.437 -8.957 1.00 20.88 N ATOM 275 CZ ARG A 32 -34.842 3.578 -8.945 1.00 22.91 C ATOM 276 NH1 ARG A 32 -35.640 2.518 -8.837 1.00 23.45 N ATOM 277 NH2 ARG A 32 -35.376 4.793 -9.039 1.00 24.18 N ATOM 278 N LEU A 33 -27.459 3.736 -11.458 1.00 12.01 N ATOM 279 CA LEU A 33 -26.857 4.334 -12.639 1.00 11.71 C ATOM 280 C LEU A 33 -26.681 3.313 -13.766 1.00 10.81 C ATOM 281 O LEU A 33 -26.573 3.700 -14.921 1.00 10.53 O ATOM 282 CB LEU A 33 -25.527 5.019 -12.295 1.00 10.93 C ATOM 283 CG LEU A 33 -25.574 6.218 -11.318 1.00 11.55 C ATOM 284 CD1 LEU A 33 -24.221 6.938 -11.268 1.00 10.80 C ATOM 285 CD2 LEU A 33 -26.642 7.213 -11.683 1.00 10.16 C ATOM 286 N ASP A 34 -26.640 2.022 -13.436 1.00 11.63 N ATOM 287 CA ASP A 34 -26.470 0.979 -14.464 1.00 11.02 C ATOM 288 C ASP A 34 -25.209 1.204 -15.311 1.00 10.34 C ATOM 289 O ASP A 34 -25.236 1.141 -16.551 1.00 9.75 O ATOM 290 CB ASP A 34 -27.710 0.916 -15.369 1.00 12.81 C ATOM 291 CG ASP A 34 -27.801 -0.386 -16.134 1.00 15.38 C ATOM 292 OD1 ASP A 34 -27.691 -1.445 -15.479 1.00 23.24 O ATOM 293 OD2 ASP A 34 -27.984 -0.358 -17.381 1.00 24.87 O ATOM 294 N LEU A 35 -24.097 1.492 -14.636 1.00 8.57 N ATOM 295 CA LEU A 35 -22.825 1.663 -15.289 1.00 9.08 C ATOM 296 C LEU A 35 -21.764 0.859 -14.568 1.00 8.20 C ATOM 297 O LEU A 35 -21.879 0.615 -13.370 1.00 7.88 O ATOM 298 CB LEU A 35 -22.391 3.128 -15.257 1.00 9.44 C ATOM 299 CG LEU A 35 -23.201 4.121 -16.074 1.00 11.53 C ATOM 300 CD1 LEU A 35 -22.679 5.506 -15.794 1.00 13.79 C ATOM 301 CD2 LEU A 35 -23.069 3.781 -17.535 1.00 13.68 C ATOM 302 N THR A 36 -20.749 0.455 -15.323 1.00 7.96 N ATOM 303 CA THR A 36 -19.535 -0.159 -14.798 1.00 7.78 C ATOM 304 C THR A 36 -18.367 0.788 -15.099 1.00 7.59 C ATOM 305 O THR A 36 -18.502 1.707 -15.894 1.00 6.27 O ATOM 306 CB THR A 36 -19.301 -1.542 -15.443 1.00 8.52 C ATOM 307 OG1 THR A 36 -19.060 -1.384 -16.860 1.00 9.91 O ATOM 308 CG2 THR A 36 -20.508 -2.469 -15.142 1.00 7.21 C ATOM 309 N PRO A 37 -17.247 0.645 -14.385 1.00 7.28 N ATOM 310 CA PRO A 37 -16.175 1.602 -14.614 1.00 7.56 C ATOM 311 C PRO A 37 -15.738 1.765 -16.087 1.00 7.42 C ATOM 312 O PRO A 37 -15.491 2.867 -16.507 1.00 7.49 O ATOM 313 CB PRO A 37 -15.035 1.090 -13.699 1.00 7.55 C ATOM 314 CG PRO A 37 -15.766 0.435 -12.566 1.00 7.40 C ATOM 315 CD PRO A 37 -16.981 -0.229 -13.224 1.00 7.82 C ATOM 316 N PRO A 38 -15.653 0.667 -16.880 1.00 8.30 N ATOM 317 CA PRO A 38 -15.344 0.906 -18.312 1.00 8.80 C ATOM 318 C PRO A 38 -16.355 1.792 -19.069 1.00 8.51 C ATOM 319 O PRO A 38 -16.001 2.546 -19.995 1.00 8.95 O ATOM 320 CB PRO A 38 -15.271 -0.527 -18.887 1.00 10.14 C ATOM 321 CG PRO A 38 -14.968 -1.403 -17.639 1.00 8.94 C ATOM 322 CD PRO A 38 -15.712 -0.771 -16.548 1.00 9.13 C ATOM 323 N ASP A 39 -17.622 1.683 -18.707 1.00 8.82 N ATOM 324 CA ASP A 39 -18.617 2.547 -19.291 1.00 8.17 C ATOM 325 C ASP A 39 -18.297 4.010 -18.938 1.00 7.73 C ATOM 326 O ASP A 39 -18.427 4.885 -19.785 1.00 7.94 O ATOM 327 CB ASP A 39 -20.006 2.239 -18.730 1.00 8.37 C ATOM 328 CG ASP A 39 -20.515 0.896 -19.118 1.00 11.36 C ATOM 329 OD1 ASP A 39 -20.172 0.383 -20.201 1.00 12.95 O ATOM 330 OD2 ASP A 39 -21.292 0.364 -18.321 1.00 12.15 O ATOM 331 N VAL A 40 -17.983 4.278 -17.670 1.00 5.99 N ATOM 332 CA VAL A 40 -17.703 5.665 -17.253 1.00 6.65 C ATOM 333 C VAL A 40 -16.464 6.206 -17.953 1.00 6.78 C ATOM 334 O VAL A 40 -16.391 7.381 -18.346 1.00 7.03 O ATOM 335 CB VAL A 40 -17.566 5.821 -15.723 1.00 7.43 C ATOM 336 CG1 VAL A 40 -17.482 7.291 -15.357 1.00 5.62 C ATOM 337 CG2 VAL A 40 -18.768 5.174 -15.028 1.00 6.34 C ATOM 338 N HIS A 41 -15.478 5.346 -18.124 1.00 8.58 N ATOM 339 CA HIS A 41 -14.273 5.724 -18.878 1.00 7.95 C ATOM 340 C HIS A 41 -14.619 6.214 -20.288 1.00 7.33 C ATOM 341 O HIS A 41 -14.096 7.262 -20.728 1.00 6.89 O ATOM 342 CB HIS A 41 -13.311 4.541 -18.893 1.00 8.79 C ATOM 343 CG HIS A 41 -12.043 4.792 -19.638 1.00 10.72 C ATOM 344 ND1 HIS A 41 -11.391 3.800 -20.341 1.00 11.95 N ATOM 345 CD2 HIS A 41 -11.316 5.912 -19.805 1.00 14.67 C ATOM 346 CE1 HIS A 41 -10.312 4.308 -20.909 1.00 11.82 C ATOM 347 NE2 HIS A 41 -10.227 5.581 -20.578 1.00 13.13 N ATOM 348 N VAL A 42 -15.513 5.522 -20.988 1.00 6.62 N ATOM 349 CA VAL A 42 -15.983 5.957 -22.315 1.00 6.36 C ATOM 350 C VAL A 42 -16.660 7.338 -22.226 1.00 5.80 C ATOM 351 O VAL A 42 -16.301 8.251 -22.940 1.00 5.18 O ATOM 352 CB VAL A 42 -16.979 4.917 -22.958 1.00 6.71 C ATOM 353 CG1 VAL A 42 -17.608 5.474 -24.229 1.00 6.21 C ATOM 354 CG2 VAL A 42 -16.273 3.586 -23.216 1.00 8.51 C ATOM 355 N LEU A 43 -17.612 7.486 -21.296 1.00 6.13 N ATOM 356 CA LEU A 43 -18.301 8.747 -21.107 1.00 5.25 C ATOM 357 C LEU A 43 -17.340 9.886 -20.788 1.00 4.38 C ATOM 358 O LEU A 43 -17.492 10.983 -21.321 1.00 4.24 O ATOM 359 CB LEU A 43 -19.312 8.622 -19.975 1.00 4.55 C ATOM 360 CG LEU A 43 -20.483 7.684 -20.215 1.00 4.42 C ATOM 361 CD1 LEU A 43 -21.337 7.560 -18.911 1.00 5.06 C ATOM 362 CD2 LEU A 43 -21.307 8.194 -21.403 1.00 4.28 C ATOM 363 N LYS A 44 -16.365 9.628 -19.918 1.00 5.31 N ATOM 364 CA LYS A 44 -15.359 10.645 -19.555 1.00 6.71 C ATOM 365 C LYS A 44 -14.541 11.101 -20.769 1.00 5.77 C ATOM 366 O LYS A 44 -14.315 12.294 -20.957 1.00 5.56 O ATOM 367 CB LYS A 44 -14.431 10.097 -18.483 1.00 7.50 C ATOM 368 CG LYS A 44 -13.403 11.102 -17.960 1.00 9.39 C ATOM 369 CD LYS A 44 -12.633 10.552 -16.811 1.00 10.88 C ATOM 370 CE LYS A 44 -11.911 11.638 -16.024 1.00 14.79 C ATOM 371 NZ LYS A 44 -10.713 12.111 -16.753 1.00 17.53 N ATOM 372 N LEU A 45 -14.114 10.159 -21.603 1.00 5.75 N ATOM 373 CA LEU A 45 -13.336 10.563 -22.814 1.00 5.90 C ATOM 374 C LEU A 45 -14.170 11.379 -23.773 1.00 6.04 C ATOM 375 O LEU A 45 -13.700 12.362 -24.336 1.00 6.15 O ATOM 376 CB LEU A 45 -12.751 9.357 -23.521 1.00 6.87 C ATOM 377 CG LEU A 45 -11.664 8.547 -22.782 1.00 7.63 C ATOM 378 CD1 LEU A 45 -11.310 7.345 -23.635 1.00 9.91 C ATOM 379 CD2 LEU A 45 -10.396 9.380 -22.465 1.00 10.06 C ATOM 380 N ILE A 46 -15.439 10.985 -23.964 1.00 5.53 N ATOM 381 CA ILE A 46 -16.324 11.729 -24.816 1.00 5.37 C ATOM 382 C ILE A 46 -16.599 13.129 -24.248 1.00 4.73 C ATOM 383 O ILE A 46 -16.658 14.104 -24.993 1.00 5.34 O ATOM 384 CB ILE A 46 -17.636 10.972 -25.081 1.00 4.79 C ATOM 385 CG1 ILE A 46 -17.342 9.679 -25.838 1.00 8.16 C ATOM 386 CG2 ILE A 46 -18.610 11.840 -25.878 1.00 4.75 C ATOM 387 CD1 ILE A 46 -18.524 8.784 -25.900 1.00 5.86 C ATOM 388 N ASP A 47 -16.730 13.241 -22.922 1.00 4.75 N ATOM 389 CA ASP A 47 -16.920 14.530 -22.283 1.00 5.38 C ATOM 390 C ASP A 47 -15.682 15.420 -22.558 1.00 4.54 C ATOM 391 O ASP A 47 -15.818 16.541 -23.018 1.00 6.05 O ATOM 392 CB ASP A 47 -17.123 14.321 -20.766 1.00 4.77 C ATOM 393 CG ASP A 47 -17.880 15.453 -20.089 1.00 7.90 C ATOM 394 OD1 ASP A 47 -17.961 16.544 -20.671 1.00 9.78 O ATOM 395 OD2 ASP A 47 -18.416 15.228 -18.945 1.00 13.07 O ATOM 396 N GLU A 48 -14.502 14.903 -22.279 1.00 5.34 N ATOM 397 CA GLU A 48 -13.238 15.671 -22.292 1.00 7.22 C ATOM 398 C GLU A 48 -12.774 16.040 -23.690 1.00 7.08 C ATOM 399 O GLU A 48 -12.132 17.088 -23.868 1.00 6.98 O ATOM 400 CB GLU A 48 -12.139 14.865 -21.602 1.00 6.66 C ATOM 401 CG GLU A 48 -12.357 14.821 -20.115 1.00 10.28 C ATOM 402 CD GLU A 48 -11.362 13.992 -19.397 1.00 11.04 C ATOM 403 OE1 GLU A 48 -10.567 13.252 -20.054 1.00 15.13 O ATOM 404 OE2 GLU A 48 -11.397 14.079 -18.151 1.00 15.69 O ATOM 405 N GLN A 49 -13.099 15.171 -24.648 1.00 7.31 N ATOM 406 CA GLN A 49 -12.689 15.271 -26.063 1.00 7.67 C ATOM 407 C GLN A 49 -13.907 15.352 -26.990 1.00 8.62 C ATOM 408 O GLN A 49 -13.930 14.825 -28.104 1.00 9.21 O ATOM 409 CB GLN A 49 -11.854 14.082 -26.438 1.00 6.97 C ATOM 410 CG GLN A 49 -10.637 13.879 -25.564 1.00 4.98 C ATOM 411 CD GLN A 49 -9.792 12.708 -26.009 1.00 8.43 C ATOM 412 OE1 GLN A 49 -9.753 12.363 -27.183 1.00 10.23 O ATOM 413 NE2 GLN A 49 -9.055 12.117 -25.065 1.00 7.86 N ATOM 414 N ARG A 50 -14.914 16.054 -26.497 1.00 9.80 N ATOM 415 CA ARG A 50 -16.160 16.278 -27.198 1.00 10.10 C ATOM 416 C ARG A 50 -15.947 16.457 -28.711 1.00 9.54 C ATOM 417 O ARG A 50 -15.174 17.301 -29.165 1.00 8.56 O ATOM 418 CB ARG A 50 -16.802 17.481 -26.527 1.00 10.68 C ATOM 419 CG ARG A 50 -18.134 17.905 -26.981 1.00 13.12 C ATOM 420 CD ARG A 50 -18.478 19.190 -26.232 1.00 15.27 C ATOM 421 NE ARG A 50 -19.300 20.039 -27.068 1.00 21.09 N ATOM 422 CZ ARG A 50 -20.601 19.865 -27.239 1.00 23.23 C ATOM 423 NH1 ARG A 50 -21.238 18.882 -26.600 1.00 25.49 N ATOM 424 NH2 ARG A 50 -21.269 20.690 -28.042 1.00 22.71 N ATOM 425 N GLY A 51 -16.609 15.600 -29.478 1.00 8.49 N ATOM 426 CA GLY A 51 -16.566 15.678 -30.927 1.00 9.04 C ATOM 427 C GLY A 51 -15.593 14.703 -31.549 1.00 9.41 C ATOM 428 O GLY A 51 -15.506 14.634 -32.776 1.00 9.61 O ATOM 429 N LEU A 52 -14.861 13.953 -30.729 1.00 9.43 N ATOM 430 CA LEU A 52 -13.887 13.002 -31.282 1.00 10.11 C ATOM 431 C LEU A 52 -14.625 11.909 -32.066 1.00 10.51 C ATOM 432 O LEU A 52 -15.807 11.641 -31.842 1.00 10.28 O ATOM 433 CB LEU A 52 -12.992 12.393 -30.209 1.00 10.34 C ATOM 434 CG LEU A 52 -13.476 11.170 -29.450 1.00 10.24 C ATOM 435 CD1 LEU A 52 -12.310 10.547 -28.678 1.00 11.15 C ATOM 436 CD2 LEU A 52 -14.641 11.572 -28.568 1.00 9.16 C ATOM 437 N ASN A 53 -13.926 11.297 -33.012 1.00 10.60 N ATOM 438 CA ASN A 53 -14.548 10.270 -33.823 1.00 10.58 C ATOM 439 C ASN A 53 -14.505 8.882 -33.168 1.00 10.49 C ATOM 440 O ASN A 53 -13.779 8.618 -32.196 1.00 9.84 O ATOM 441 CB ASN A 53 -14.031 10.308 -35.285 1.00 10.93 C ATOM 442 CG ASN A 53 -12.647 9.713 -35.468 1.00 12.10 C ATOM 443 OD1 ASN A 53 -12.366 8.619 -35.007 1.00 14.00 O ATOM 444 ND2 ASN A 53 -11.781 10.421 -36.222 1.00 15.41 N ATOM 445 N LEU A 54 -15.324 7.997 -33.715 1.00 10.81 N ATOM 446 CA LEU A 54 -15.544 6.689 -33.125 1.00 10.44 C ATOM 447 C LEU A 54 -14.257 5.845 -33.155 1.00 10.16 C ATOM 448 O LEU A 54 -13.939 5.126 -32.198 1.00 10.87 O ATOM 449 CB LEU A 54 -16.638 5.976 -33.912 1.00 10.26 C ATOM 450 CG LEU A 54 -17.678 5.096 -33.250 1.00 12.76 C ATOM 451 CD1 LEU A 54 -18.413 4.355 -34.371 1.00 15.63 C ATOM 452 CD2 LEU A 54 -17.074 4.132 -32.241 1.00 16.88 C ATOM 453 N GLN A 55 -13.534 5.926 -34.269 1.00 9.88 N ATOM 454 CA GLN A 55 -12.283 5.185 -34.425 1.00 9.55 C ATOM 455 C GLN A 55 -11.256 5.649 -33.387 1.00 8.84 C ATOM 456 O GLN A 55 -10.587 4.834 -32.749 1.00 9.32 O ATOM 457 CB GLN A 55 -11.757 5.336 -35.869 1.00 10.52 C ATOM 458 CG GLN A 55 -12.641 4.623 -36.954 1.00 12.51 C ATOM 459 CD GLN A 55 -13.928 5.378 -37.404 1.00 15.83 C ATOM 460 OE1 GLN A 55 -14.180 6.534 -37.023 1.00 17.75 O ATOM 461 NE2 GLN A 55 -14.742 4.704 -38.242 1.00 15.78 N ATOM 462 N ASP A 56 -11.185 6.961 -33.181 1.00 8.42 N ATOM 463 CA ASP A 56 -10.255 7.583 -32.258 1.00 8.59 C ATOM 464 C ASP A 56 -10.570 7.097 -30.821 1.00 8.74 C ATOM 465 O ASP A 56 -9.702 6.590 -30.097 1.00 7.73 O ATOM 466 CB ASP A 56 -10.384 9.126 -32.397 1.00 8.20 C ATOM 467 CG ASP A 56 -9.329 9.911 -31.606 1.00 7.14 C ATOM 468 OD1 ASP A 56 -8.502 9.333 -30.865 1.00 6.37 O ATOM 469 OD2 ASP A 56 -9.322 11.159 -31.719 1.00 8.36 O ATOM 470 N LEU A 57 -11.837 7.220 -30.433 1.00 8.65 N ATOM 471 CA LEU A 57 -12.282 6.722 -29.131 1.00 8.91 C ATOM 472 C LEU A 57 -11.912 5.260 -28.952 1.00 8.86 C ATOM 473 O LEU A 57 -11.382 4.883 -27.916 1.00 8.69 O ATOM 474 CB LEU A 57 -13.790 6.887 -28.997 1.00 8.80 C ATOM 475 CG LEU A 57 -14.411 6.405 -27.679 1.00 9.47 C ATOM 476 CD1 LEU A 57 -13.822 7.111 -26.472 1.00 12.93 C ATOM 477 CD2 LEU A 57 -15.883 6.636 -27.725 1.00 10.11 C ATOM 478 N GLY A 58 -12.150 4.453 -29.989 1.00 8.93 N ATOM 479 CA GLY A 58 -11.859 3.036 -29.941 1.00 9.29 C ATOM 480 C GLY A 58 -10.400 2.731 -29.666 1.00 9.66 C ATOM 481 O GLY A 58 -10.073 1.865 -28.844 1.00 10.37 O ATOM 482 N ARG A 59 -9.515 3.449 -30.346 1.00 9.42 N ATOM 483 CA ARG A 59 -8.092 3.309 -30.102 1.00 9.27 C ATOM 484 C ARG A 59 -7.712 3.673 -28.684 1.00 8.46 C ATOM 485 O ARG A 59 -6.891 2.981 -28.080 1.00 8.65 O ATOM 486 CB ARG A 59 -7.291 4.164 -31.078 1.00 8.48 C ATOM 487 CG ARG A 59 -7.294 3.614 -32.485 1.00 9.95 C ATOM 488 CD ARG A 59 -6.347 4.383 -33.349 1.00 9.09 C ATOM 489 NE ARG A 59 -6.744 5.779 -33.506 1.00 10.05 N ATOM 490 CZ ARG A 59 -7.336 6.288 -34.590 1.00 10.25 C ATOM 491 NH1 ARG A 59 -7.613 5.522 -35.649 1.00 12.98 N ATOM 492 NH2 ARG A 59 -7.612 7.578 -34.642 1.00 8.64 N ATOM 493 N GLN A 60 -8.251 4.776 -28.177 1.00 8.67 N ATOM 494 CA GLN A 60 -7.916 5.238 -26.818 1.00 9.60 C ATOM 495 C GLN A 60 -8.436 4.321 -25.729 1.00 10.39 C ATOM 496 O GLN A 60 -7.838 4.217 -24.650 1.00 11.05 O ATOM 497 CB GLN A 60 -8.455 6.646 -26.584 1.00 9.43 C ATOM 498 CG GLN A 60 -7.757 7.700 -27.435 1.00 9.13 C ATOM 499 CD GLN A 60 -8.142 9.099 -27.013 1.00 9.50 C ATOM 500 OE1 GLN A 60 -8.028 9.451 -25.825 1.00 10.83 O ATOM 501 NE2 GLN A 60 -8.643 9.892 -27.955 1.00 8.79 N ATOM 502 N MET A 61 -9.532 3.630 -26.005 1.00 11.32 N ATOM 503 CA MET A 61 -10.044 2.650 -25.044 1.00 12.42 C ATOM 504 C MET A 61 -9.124 1.432 -24.928 1.00 13.49 C ATOM 505 O MET A 61 -9.089 0.794 -23.869 1.00 13.57 O ATOM 506 CB MET A 61 -11.480 2.256 -25.386 1.00 12.39 C ATOM 507 CG MET A 61 -12.475 3.369 -25.164 1.00 13.83 C ATOM 508 SD MET A 61 -12.642 3.910 -23.426 1.00 17.64 S ATOM 509 CE MET A 61 -13.254 2.365 -22.685 1.00 13.76 C ATOM 510 N CYS A 62 -8.356 1.147 -25.989 1.00 14.04 N ATOM 511 CA CYS A 62 -7.354 0.080 -25.996 1.00 14.94 C ATOM 512 C CYS A 62 -8.000 -1.320 -25.819 1.00 16.12 C ATOM 513 O CYS A 62 -8.001 -1.900 -24.725 1.00 17.22 O ATOM 514 CB CYS A 62 -6.232 0.341 -24.953 1.00 14.93 C ATOM 515 SG CYS A 62 -5.125 1.752 -25.346 1.00 17.10 S ATOM 516 N ALA A 66 -14.736 -3.822 -32.541 1.00 31.17 N ATOM 517 CA ALA A 66 -16.076 -4.383 -32.405 1.00 31.23 C ATOM 518 C ALA A 66 -16.685 -4.119 -31.022 1.00 31.28 C ATOM 519 O ALA A 66 -17.798 -3.601 -30.916 1.00 30.98 O ATOM 520 CB ALA A 66 -16.041 -5.885 -32.685 1.00 30.97 C ATOM 521 N LEU A 67 -15.933 -4.454 -29.974 1.00 31.52 N ATOM 522 CA LEU A 67 -16.451 -4.534 -28.595 1.00 31.60 C ATOM 523 C LEU A 67 -16.681 -3.148 -27.948 1.00 31.82 C ATOM 524 O LEU A 67 -17.579 -2.970 -27.111 1.00 31.63 O ATOM 525 CB LEU A 67 -15.486 -5.384 -27.742 1.00 31.66 C ATOM 526 CG LEU A 67 -16.057 -6.394 -26.737 1.00 31.80 C ATOM 527 CD1 LEU A 67 -17.176 -7.247 -27.335 1.00 32.04 C ATOM 528 CD2 LEU A 67 -14.941 -7.295 -26.218 1.00 31.58 C ATOM 529 N ILE A 68 -15.865 -2.171 -28.324 1.00 31.64 N ATOM 530 CA ILE A 68 -16.115 -0.796 -27.904 1.00 31.78 C ATOM 531 C ILE A 68 -17.258 -0.210 -28.737 1.00 31.83 C ATOM 532 O ILE A 68 -18.072 0.539 -28.213 1.00 31.10 O ATOM 533 CB ILE A 68 -14.825 0.078 -27.946 1.00 32.01 C ATOM 534 CG1 ILE A 68 -13.959 -0.219 -26.717 1.00 32.52 C ATOM 535 CG2 ILE A 68 -15.150 1.567 -27.983 1.00 31.26 C ATOM 536 CD1 ILE A 68 -14.626 0.154 -25.384 1.00 32.43 C ATOM 537 N THR A 69 -17.352 -0.581 -30.015 1.00 31.96 N ATOM 538 CA THR A 69 -18.499 -0.162 -30.836 1.00 32.19 C ATOM 539 C THR A 69 -19.802 -0.700 -30.244 1.00 32.40 C ATOM 540 O THR A 69 -20.816 -0.013 -30.294 1.00 32.53 O ATOM 541 CB THR A 69 -18.351 -0.581 -32.326 1.00 32.55 C ATOM 542 OG1 THR A 69 -17.125 -0.054 -32.843 1.00 32.17 O ATOM 543 CG2 THR A 69 -19.524 -0.055 -33.177 1.00 32.16 C ATOM 544 N ARG A 70 -19.766 -1.909 -29.676 1.00 32.56 N ATOM 545 CA ARG A 70 -20.914 -2.458 -28.934 1.00 33.02 C ATOM 546 C ARG A 70 -21.295 -1.594 -27.730 1.00 33.45 C ATOM 547 O ARG A 70 -22.482 -1.299 -27.513 1.00 33.30 O ATOM 548 CB ARG A 70 -20.634 -3.877 -28.426 1.00 33.01 C ATOM 549 CG ARG A 70 -20.209 -4.828 -29.504 1.00 33.40 C ATOM 550 CD ARG A 70 -20.506 -6.282 -29.185 1.00 33.18 C ATOM 551 NE ARG A 70 -19.847 -7.138 -30.166 1.00 33.74 N ATOM 552 CZ ARG A 70 -20.219 -7.252 -31.441 1.00 34.14 C ATOM 553 NH1 ARG A 70 -21.261 -6.569 -31.909 1.00 34.68 N ATOM 554 NH2 ARG A 70 -19.541 -8.047 -32.256 1.00 32.99 N ATOM 555 N LYS A 71 -20.281 -1.228 -26.942 1.00 33.70 N ATOM 556 CA LYS A 71 -20.488 -0.415 -25.747 1.00 33.76 C ATOM 557 C LYS A 71 -20.933 0.982 -26.134 1.00 33.76 C ATOM 558 O LYS A 71 -21.875 1.520 -25.550 1.00 34.06 O ATOM 559 CB LYS A 71 -19.238 -0.357 -24.871 1.00 33.73 C ATOM 560 CG LYS A 71 -19.393 -1.127 -23.566 1.00 34.16 C ATOM 561 CD LYS A 71 -18.065 -1.289 -22.827 1.00 34.14 C ATOM 562 CE LYS A 71 -17.535 0.025 -22.260 1.00 33.87 C ATOM 563 NZ LYS A 71 -16.085 -0.081 -21.938 1.00 34.10 N ATOM 564 N ILE A 72 -20.284 1.567 -27.135 1.00 33.39 N ATOM 565 CA ILE A 72 -20.740 2.864 -27.609 1.00 33.64 C ATOM 566 C ILE A 72 -22.194 2.761 -28.046 1.00 32.99 C ATOM 567 O ILE A 72 -22.990 3.656 -27.796 1.00 33.59 O ATOM 568 CB ILE A 72 -19.895 3.423 -28.746 1.00 33.45 C ATOM 569 CG1 ILE A 72 -18.532 3.877 -28.220 1.00 34.40 C ATOM 570 CG2 ILE A 72 -20.602 4.596 -29.399 1.00 33.45 C ATOM 571 CD1 ILE A 72 -18.620 4.930 -27.100 1.00 36.50 C ATOM 572 N ARG A 73 -22.567 1.665 -28.685 1.00 34.06 N ATOM 573 CA ARG A 73 -23.953 1.539 -29.148 1.00 33.52 C ATOM 574 C ARG A 73 -24.913 1.423 -27.958 1.00 33.06 C ATOM 575 O ARG A 73 -26.005 2.017 -27.954 1.00 33.12 O ATOM 576 CB ARG A 73 -24.102 0.361 -30.120 1.00 34.19 C ATOM 577 CG ARG A 73 -25.337 0.461 -31.016 1.00 34.26 C ATOM 578 CD ARG A 73 -25.377 -0.606 -32.091 1.00 34.98 C ATOM 579 NE ARG A 73 -24.706 -0.182 -33.328 1.00 36.42 N ATOM 580 CZ ARG A 73 -23.538 -0.645 -33.782 1.00 36.40 C ATOM 581 NH1 ARG A 73 -22.857 -1.579 -33.122 1.00 36.84 N ATOM 582 NH2 ARG A 73 -23.045 -0.166 -34.915 1.00 35.56 N ATOM 583 N GLU A 74 -24.495 0.687 -26.934 1.00 32.71 N ATOM 584 CA GLU A 74 -25.284 0.539 -25.711 1.00 32.47 C ATOM 585 C GLU A 74 -25.538 1.901 -25.036 1.00 32.28 C ATOM 586 O GLU A 74 -26.668 2.218 -24.645 1.00 32.75 O ATOM 587 CB GLU A 74 -24.554 -0.418 -24.760 1.00 33.07 C ATOM 588 CG GLU A 74 -24.843 -0.269 -23.256 1.00 33.95 C ATOM 589 CD GLU A 74 -23.781 -0.955 -22.405 1.00 34.38 C ATOM 590 OE1 GLU A 74 -23.960 -2.150 -22.093 1.00 37.20 O ATOM 591 OE2 GLU A 74 -22.766 -0.291 -22.059 1.00 37.64 O ATOM 592 N LEU A 75 -24.474 2.681 -24.898 1.00 31.01 N ATOM 593 CA LEU A 75 -24.554 4.038 -24.345 1.00 30.07 C ATOM 594 C LEU A 75 -25.428 4.957 -25.234 1.00 29.90 C ATOM 595 O LEU A 75 -26.151 5.810 -24.744 1.00 31.80 O ATOM 596 CB LEU A 75 -23.137 4.622 -24.163 1.00 29.69 C ATOM 597 CG LEU A 75 -22.246 3.906 -23.135 1.00 27.33 C ATOM 598 CD1 LEU A 75 -20.805 4.418 -23.107 1.00 26.67 C ATOM 599 CD2 LEU A 75 -22.902 4.020 -21.758 1.00 24.72 C ATOM 600 N GLU A 76 -25.338 4.790 -26.544 1.00 29.77 N ATOM 601 CA GLU A 76 -26.243 5.469 -27.491 1.00 28.26 C ATOM 602 C GLU A 76 -27.716 5.080 -27.300 1.00 27.26 C ATOM 603 O GLU A 76 -28.581 5.948 -27.267 1.00 28.33 O ATOM 604 CB GLU A 76 -25.844 5.155 -28.924 1.00 28.35 C ATOM 605 CG GLU A 76 -24.657 5.926 -29.466 1.00 30.01 C ATOM 606 CD GLU A 76 -24.429 5.637 -30.943 1.00 30.39 C ATOM 607 OE1 GLU A 76 -23.893 4.552 -31.274 1.00 34.95 O ATOM 608 OE2 GLU A 76 -24.790 6.494 -31.785 1.00 31.98 O ATOM 609 N GLY A 77 -27.995 3.782 -27.208 1.00 24.54 N ATOM 610 CA GLY A 77 -29.368 3.280 -26.973 1.00 22.70 C ATOM 611 C GLY A 77 -30.010 3.796 -25.686 1.00 21.16 C ATOM 612 O GLY A 77 -31.233 3.885 -25.579 1.00 19.42 O ATOM 613 N ARG A 78 -29.172 4.144 -24.710 1.00 19.26 N ATOM 614 CA ARG A 78 -29.633 4.766 -23.469 1.00 19.14 C ATOM 615 C ARG A 78 -29.715 6.278 -23.550 1.00 17.94 C ATOM 616 O ARG A 78 -29.977 6.947 -22.542 1.00 16.20 O ATOM 617 CB ARG A 78 -28.740 4.335 -22.313 1.00 18.52 C ATOM 618 CG ARG A 78 -29.028 2.916 -21.921 1.00 21.74 C ATOM 619 CD ARG A 78 -28.016 2.427 -20.954 1.00 22.66 C ATOM 620 NE ARG A 78 -28.099 3.142 -19.685 1.00 26.61 N ATOM 621 CZ ARG A 78 -27.185 3.031 -18.724 1.00 24.74 C ATOM 622 NH1 ARG A 78 -26.142 2.238 -18.888 1.00 26.60 N ATOM 623 NH2 ARG A 78 -27.328 3.699 -17.605 1.00 25.25 N ATOM 624 N ASN A 79 -29.508 6.818 -24.752 1.00 17.16 N ATOM 625 CA ASN A 79 -29.405 8.264 -24.969 1.00 16.64 C ATOM 626 C ASN A 79 -28.424 9.004 -24.062 1.00 16.41 C ATOM 627 O ASN A 79 -28.711 10.127 -23.600 1.00 16.03 O ATOM 628 CB ASN A 79 -30.778 8.935 -24.884 1.00 17.24 C ATOM 629 CG ASN A 79 -30.806 10.264 -25.634 1.00 18.09 C ATOM 630 OD1 ASN A 79 -30.472 10.320 -26.819 1.00 20.94 O ATOM 631 ND2 ASN A 79 -31.190 11.334 -24.942 1.00 20.16 N ATOM 632 N LEU A 80 -27.283 8.367 -23.806 1.00 14.48 N ATOM 633 CA LEU A 80 -26.196 9.012 -23.081 1.00 13.98 C ATOM 634 C LEU A 80 -25.173 9.612 -24.023 1.00 14.04 C ATOM 635 O LEU A 80 -24.453 10.528 -23.644 1.00 13.58 O ATOM 636 CB LEU A 80 -25.500 8.006 -22.179 1.00 12.75 C ATOM 637 CG LEU A 80 -26.418 7.277 -21.183 1.00 14.06 C ATOM 638 CD1 LEU A 80 -25.536 6.304 -20.377 1.00 12.79 C ATOM 639 CD2 LEU A 80 -27.145 8.290 -20.250 1.00 14.16 C ATOM 640 N VAL A 81 -25.082 9.066 -25.229 1.00 14.10 N ATOM 641 CA VAL A 81 -24.109 9.515 -26.217 1.00 15.01 C ATOM 642 C VAL A 81 -24.884 9.834 -27.484 1.00 15.99 C ATOM 643 O VAL A 81 -25.821 9.120 -27.814 1.00 15.51 O ATOM 644 CB VAL A 81 -23.077 8.398 -26.476 1.00 15.63 C ATOM 645 CG1 VAL A 81 -22.207 8.687 -27.709 1.00 14.97 C ATOM 646 CG2 VAL A 81 -22.207 8.185 -25.266 1.00 12.79 C ATOM 647 N ARG A 82 -24.521 10.906 -28.183 1.00 16.53 N ATOM 648 CA ARG A 82 -25.084 11.158 -29.505 1.00 18.19 C ATOM 649 C ARG A 82 -24.016 11.265 -30.551 1.00 18.16 C ATOM 650 O ARG A 82 -22.873 11.570 -30.253 1.00 15.82 O ATOM 651 CB ARG A 82 -25.961 12.396 -29.554 1.00 18.57 C ATOM 652 CG ARG A 82 -25.296 13.697 -29.286 1.00 19.95 C ATOM 653 CD ARG A 82 -26.192 14.843 -29.777 1.00 21.20 C ATOM 654 NE ARG A 82 -25.642 16.128 -29.343 1.00 23.18 N ATOM 655 CZ ARG A 82 -24.782 16.864 -30.039 1.00 23.81 C ATOM 656 NH1 ARG A 82 -24.403 16.505 -31.262 1.00 26.44 N ATOM 657 NH2 ARG A 82 -24.331 18.001 -29.516 1.00 24.62 N ATOM 658 N ARG A 83 -24.421 11.021 -31.787 1.00 19.35 N ATOM 659 CA ARG A 83 -23.588 11.280 -32.965 1.00 21.37 C ATOM 660 C ARG A 83 -24.051 12.512 -33.742 1.00 21.45 C ATOM 661 O ARG A 83 -25.224 12.584 -34.115 1.00 22.59 O ATOM 662 CB ARG A 83 -23.632 10.094 -33.909 1.00 21.87 C ATOM 663 CG ARG A 83 -22.822 8.914 -33.432 1.00 23.50 C ATOM 664 CD ARG A 83 -22.951 7.747 -34.420 1.00 24.19 C ATOM 665 NE ARG A 83 -22.632 6.469 -33.785 1.00 25.96 N ATOM 666 CZ ARG A 83 -22.375 5.335 -34.431 1.00 25.49 C ATOM 667 NH1 ARG A 83 -22.375 5.277 -35.759 1.00 26.39 N ATOM 668 NH2 ARG A 83 -22.094 4.247 -33.725 1.00 26.47 N ATOM 669 N GLN A 94 -18.533 11.852 -35.382 1.00 12.07 N ATOM 670 CA GLN A 94 -18.330 12.623 -34.107 1.00 12.24 C ATOM 671 C GLN A 94 -19.268 12.345 -32.947 1.00 12.57 C ATOM 672 O GLN A 94 -20.473 12.376 -33.128 1.00 12.80 O ATOM 673 CB GLN A 94 -18.473 14.107 -34.374 1.00 12.50 C ATOM 674 CG GLN A 94 -17.553 14.628 -35.414 1.00 11.75 C ATOM 675 CD GLN A 94 -17.611 16.122 -35.443 1.00 14.44 C ATOM 676 OE1 GLN A 94 -18.374 16.695 -36.207 1.00 19.05 O ATOM 677 NE2 GLN A 94 -16.830 16.773 -34.578 1.00 20.28 N ATOM 678 N LEU A 95 -18.698 12.229 -31.748 1.00 10.99 N ATOM 679 CA LEU A 95 -19.423 11.794 -30.570 1.00 11.27 C ATOM 680 C LEU A 95 -19.483 12.874 -29.495 1.00 10.58 C ATOM 681 O LEU A 95 -18.491 13.568 -29.255 1.00 9.31 O ATOM 682 CB LEU A 95 -18.736 10.580 -29.987 1.00 11.45 C ATOM 683 CG LEU A 95 -18.619 9.359 -30.875 1.00 13.75 C ATOM 684 CD1 LEU A 95 -17.835 8.299 -30.128 1.00 14.47 C ATOM 685 CD2 LEU A 95 -19.981 8.870 -31.341 1.00 14.05 C ATOM 686 N PHE A 96 -20.656 12.967 -28.857 1.00 11.50 N ATOM 687 CA PHE A 96 -20.973 13.973 -27.861 1.00 11.87 C ATOM 688 C PHE A 96 -21.821 13.328 -26.767 1.00 12.83 C ATOM 689 O PHE A 96 -22.617 12.432 -27.041 1.00 13.59 O ATOM 690 CB PHE A 96 -21.779 15.123 -28.484 1.00 12.97 C ATOM 691 CG PHE A 96 -21.146 15.722 -29.711 1.00 12.19 C ATOM 692 CD1 PHE A 96 -21.320 15.128 -30.950 1.00 14.81 C ATOM 693 CD2 PHE A 96 -20.409 16.884 -29.631 1.00 14.58 C ATOM 694 CE1 PHE A 96 -20.746 15.683 -32.093 1.00 14.62 C ATOM 695 CE2 PHE A 96 -19.838 17.449 -30.763 1.00 13.55 C ATOM 696 CZ PHE A 96 -20.012 16.849 -31.999 1.00 14.10 C ATOM 697 N LEU A 97 -21.657 13.794 -25.537 1.00 12.19 N ATOM 698 CA LEU A 97 -22.571 13.412 -24.470 1.00 11.51 C ATOM 699 C LEU A 97 -23.858 14.206 -24.632 1.00 12.05 C ATOM 700 O LEU A 97 -23.859 15.404 -24.941 1.00 12.56 O ATOM 701 CB LEU A 97 -21.979 13.678 -23.085 1.00 11.23 C ATOM 702 CG LEU A 97 -20.775 12.814 -22.683 1.00 11.60 C ATOM 703 CD1 LEU A 97 -20.545 13.018 -21.170 1.00 13.30 C ATOM 704 CD2 LEU A 97 -20.951 11.361 -23.044 1.00 12.57 C ATOM 705 N THR A 98 -24.965 13.523 -24.432 1.00 13.46 N ATOM 706 CA THR A 98 -26.244 14.182 -24.345 1.00 13.75 C ATOM 707 C THR A 98 -26.343 14.838 -22.979 1.00 14.13 C ATOM 708 O THR A 98 -25.446 14.680 -22.130 1.00 14.17 O ATOM 709 CB THR A 98 -27.363 13.184 -24.453 1.00 14.25 C ATOM 710 OG1 THR A 98 -27.243 12.252 -23.370 1.00 12.88 O ATOM 711 CG2 THR A 98 -27.289 12.433 -25.806 1.00 12.65 C ATOM 712 N ASP A 99 -27.456 15.525 -22.738 1.00 13.42 N ATOM 713 CA ASP A 99 -27.673 16.121 -21.428 1.00 14.06 C ATOM 714 C ASP A 99 -27.711 15.012 -20.377 1.00 13.43 C ATOM 715 O ASP A 99 -27.121 15.146 -19.303 1.00 13.23 O ATOM 716 CB ASP A 99 -28.965 16.915 -21.408 1.00 14.70 C ATOM 717 CG ASP A 99 -28.883 18.173 -22.236 1.00 18.97 C ATOM 718 OD1 ASP A 99 -27.799 18.816 -22.260 1.00 22.86 O ATOM 719 OD2 ASP A 99 -29.917 18.518 -22.859 1.00 23.31 O ATOM 720 N GLU A 100 -28.371 13.909 -20.713 1.00 12.40 N ATOM 721 CA GLU A 100 -28.458 12.773 -19.807 1.00 12.78 C ATOM 722 C GLU A 100 -27.103 12.144 -19.562 1.00 12.00 C ATOM 723 O GLU A 100 -26.826 11.741 -18.423 1.00 11.00 O ATOM 724 CB GLU A 100 -29.411 11.696 -20.338 1.00 14.00 C ATOM 725 CG GLU A 100 -30.888 12.096 -20.375 1.00 15.78 C ATOM 726 CD GLU A 100 -31.375 12.530 -21.742 1.00 20.93 C ATOM 727 OE1 GLU A 100 -30.583 13.122 -22.515 1.00 20.28 O ATOM 728 OE2 GLU A 100 -32.579 12.310 -22.020 1.00 25.80 O ATOM 729 N GLY A 101 -26.287 12.065 -20.615 1.00 11.53 N ATOM 730 CA GLY A 101 -24.937 11.521 -20.492 1.00 10.57 C ATOM 731 C GLY A 101 -24.050 12.398 -19.634 1.00 9.73 C ATOM 732 O GLY A 101 -23.264 11.917 -18.818 1.00 9.15 O ATOM 733 N LEU A 102 -24.166 13.699 -19.813 1.00 10.24 N ATOM 734 CA ALEU A 102 -23.369 14.609 -19.000 0.60 10.73 C ATOM 735 CA BLEU A 102 -23.408 14.660 -19.005 0.40 10.53 C ATOM 736 C LEU A 102 -23.728 14.440 -17.540 1.00 10.20 C ATOM 737 O LEU A 102 -22.829 14.331 -16.683 1.00 10.61 O ATOM 738 CB ALEU A 102 -23.568 16.036 -19.445 0.60 10.54 C ATOM 739 CB BLEU A 102 -23.772 16.086 -19.401 0.40 10.53 C ATOM 740 CG ALEU A 102 -22.791 17.088 -18.652 0.60 10.47 C ATOM 741 CG BLEU A 102 -23.294 16.554 -20.777 0.40 10.61 C ATOM 742 CD1ALEU A 102 -21.307 16.740 -18.414 0.60 11.32 C ATOM 743 CD1BLEU A 102 -24.129 17.732 -21.293 0.40 11.68 C ATOM 744 CD2ALEU A 102 -22.922 18.395 -19.380 0.60 11.69 C ATOM 745 CD2BLEU A 102 -21.811 16.885 -20.728 0.40 12.00 C ATOM 746 N ALA A 103 -25.023 14.387 -17.242 1.00 10.18 N ATOM 747 CA ALA A 103 -25.482 14.260 -15.850 1.00 10.60 C ATOM 748 C ALA A 103 -24.978 12.963 -15.213 1.00 11.35 C ATOM 749 O ALA A 103 -24.514 12.971 -14.066 1.00 9.69 O ATOM 750 CB ALA A 103 -27.003 14.365 -15.763 1.00 10.97 C ATOM 751 N ILE A 104 -25.046 11.850 -15.953 1.00 10.92 N ATOM 752 CA ILE A 104 -24.700 10.576 -15.361 1.00 11.90 C ATOM 753 C ILE A 104 -23.183 10.502 -15.182 1.00 11.12 C ATOM 754 O ILE A 104 -22.702 9.904 -14.238 1.00 11.95 O ATOM 755 CB ILE A 104 -25.278 9.375 -16.163 1.00 12.27 C ATOM 756 CG1 ILE A 104 -25.459 8.140 -15.251 1.00 14.45 C ATOM 757 CG2 ILE A 104 -24.421 9.060 -17.405 1.00 12.46 C ATOM 758 CD1 ILE A 104 -26.163 7.002 -15.855 1.00 14.19 C ATOM 759 N HIS A 105 -22.434 11.129 -16.081 1.00 10.85 N ATOM 760 CA HIS A 105 -20.973 11.173 -15.923 1.00 11.28 C ATOM 761 C HIS A 105 -20.587 11.991 -14.682 1.00 10.81 C ATOM 762 O HIS A 105 -19.768 11.563 -13.862 1.00 10.76 O ATOM 763 CB HIS A 105 -20.313 11.768 -17.162 1.00 11.46 C ATOM 764 CG HIS A 105 -18.855 11.991 -16.977 1.00 11.49 C ATOM 765 ND1 HIS A 105 -18.217 13.150 -17.353 1.00 11.50 N ATOM 766 CD2 HIS A 105 -17.924 11.242 -16.345 1.00 12.58 C ATOM 767 CE1 HIS A 105 -16.943 13.078 -17.008 1.00 13.22 C ATOM 768 NE2 HIS A 105 -16.746 11.932 -16.382 1.00 13.19 N ATOM 769 N LEU A 106 -21.211 13.149 -14.531 1.00 10.65 N ATOM 770 CA LEU A 106 -20.997 13.975 -13.345 1.00 10.71 C ATOM 771 C LEU A 106 -21.342 13.234 -12.050 1.00 10.97 C ATOM 772 O LEU A 106 -20.608 13.332 -11.055 1.00 11.67 O ATOM 773 CB LEU A 106 -21.792 15.258 -13.444 1.00 11.36 C ATOM 774 CG LEU A 106 -21.290 16.286 -14.457 1.00 13.84 C ATOM 775 CD1 LEU A 106 -22.303 17.465 -14.548 1.00 16.20 C ATOM 776 CD2 LEU A 106 -19.845 16.739 -14.074 1.00 17.08 C ATOM 777 N HIS A 107 -22.412 12.450 -12.068 1.00 10.66 N ATOM 778 CA HIS A 107 -22.826 11.721 -10.876 1.00 10.90 C ATOM 779 C HIS A 107 -21.817 10.573 -10.566 1.00 11.70 C ATOM 780 O HIS A 107 -21.415 10.378 -9.430 1.00 12.15 O ATOM 781 CB HIS A 107 -24.220 11.180 -11.080 1.00 11.90 C ATOM 782 CG HIS A 107 -24.975 10.927 -9.814 1.00 10.86 C ATOM 783 ND1 HIS A 107 -26.356 10.841 -9.794 1.00 12.59 N ATOM 784 CD2 HIS A 107 -24.560 10.731 -8.541 1.00 13.92 C ATOM 785 CE1 HIS A 107 -26.749 10.612 -8.554 1.00 13.07 C ATOM 786 NE2 HIS A 107 -25.684 10.545 -7.775 1.00 11.07 N ATOM 787 N ALA A 108 -21.395 9.843 -11.579 1.00 11.14 N ATOM 788 CA ALA A 108 -20.319 8.866 -11.428 1.00 10.86 C ATOM 789 C ALA A 108 -19.033 9.482 -10.825 1.00 9.71 C ATOM 790 O ALA A 108 -18.447 8.914 -9.922 1.00 10.65 O ATOM 791 CB ALA A 108 -20.027 8.216 -12.774 1.00 11.06 C ATOM 792 N GLU A 109 -18.622 10.656 -11.285 1.00 10.64 N ATOM 793 CA GLU A 109 -17.427 11.333 -10.761 1.00 11.74 C ATOM 794 C GLU A 109 -17.608 11.683 -9.307 1.00 12.27 C ATOM 795 O GLU A 109 -16.661 11.574 -8.533 1.00 12.56 O ATOM 796 CB GLU A 109 -17.119 12.619 -11.561 1.00 12.83 C ATOM 797 CG GLU A 109 -16.640 12.400 -13.027 1.00 13.41 C ATOM 798 CD GLU A 109 -15.387 11.507 -13.167 1.00 16.16 C ATOM 799 OE1 GLU A 109 -14.734 11.176 -12.161 1.00 17.33 O ATOM 800 OE2 GLU A 109 -15.036 11.153 -14.302 1.00 17.65 O ATOM 801 N LEU A 110 -18.803 12.137 -8.935 1.00 12.09 N ATOM 802 CA ALEU A 110 -19.125 12.414 -7.525 0.50 12.08 C ATOM 803 CA BLEU A 110 -19.093 12.428 -7.550 0.50 12.30 C ATOM 804 C LEU A 110 -18.920 11.153 -6.692 1.00 12.08 C ATOM 805 O LEU A 110 -18.365 11.193 -5.593 1.00 11.65 O ATOM 806 CB ALEU A 110 -20.578 12.874 -7.321 0.50 12.94 C ATOM 807 CB BLEU A 110 -20.500 13.025 -7.435 0.50 13.23 C ATOM 808 CG ALEU A 110 -21.058 14.266 -7.720 0.50 11.90 C ATOM 809 CG BLEU A 110 -20.805 13.869 -6.208 0.50 12.59 C ATOM 810 CD1ALEU A 110 -22.580 14.324 -7.558 0.50 10.37 C ATOM 811 CD1BLEU A 110 -19.722 14.900 -5.951 0.50 15.31 C ATOM 812 CD2ALEU A 110 -20.414 15.355 -6.915 0.50 12.84 C ATOM 813 CD2BLEU A 110 -22.137 14.565 -6.358 0.50 13.33 C ATOM 814 N ILE A 111 -19.377 10.025 -7.216 1.00 11.81 N ATOM 815 CA ILE A 111 -19.265 8.734 -6.535 1.00 12.10 C ATOM 816 C ILE A 111 -17.787 8.294 -6.390 1.00 11.92 C ATOM 817 O ILE A 111 -17.344 7.856 -5.315 1.00 12.81 O ATOM 818 CB ILE A 111 -20.146 7.663 -7.246 1.00 11.99 C ATOM 819 CG1 ILE A 111 -21.621 8.000 -7.019 1.00 11.44 C ATOM 820 CG2 ILE A 111 -19.818 6.263 -6.765 1.00 13.42 C ATOM 821 CD1 ILE A 111 -22.579 7.205 -7.867 1.00 13.94 C ATOM 822 N MET A 112 -17.024 8.415 -7.449 1.00 12.12 N ATOM 823 CA MET A 112 -15.577 8.120 -7.389 1.00 12.08 C ATOM 824 C MET A 112 -14.870 8.959 -6.319 1.00 10.96 C ATOM 825 O MET A 112 -14.076 8.438 -5.530 1.00 12.66 O ATOM 826 CB MET A 112 -14.960 8.377 -8.786 1.00 12.14 C ATOM 827 CG MET A 112 -13.440 8.389 -8.954 1.00 14.51 C ATOM 828 SD MET A 112 -12.676 6.788 -9.000 1.00 20.21 S ATOM 829 CE MET A 112 -13.112 6.133 -10.554 1.00 14.71 C ATOM 830 N SER A 113 -15.133 10.255 -6.300 1.00 10.96 N ATOM 831 CA ASER A 113 -14.538 11.140 -5.312 0.50 10.63 C ATOM 832 CA BSER A 113 -14.531 11.125 -5.310 0.50 10.98 C ATOM 833 C SER A 113 -14.944 10.739 -3.892 1.00 10.21 C ATOM 834 O SER A 113 -14.098 10.658 -3.004 1.00 9.65 O ATOM 835 CB ASER A 113 -14.911 12.596 -5.623 0.50 10.68 C ATOM 836 CB BSER A 113 -14.878 12.585 -5.587 0.50 11.20 C ATOM 837 OG ASER A 113 -14.337 12.990 -6.860 0.50 9.59 O ATOM 838 OG BSER A 113 -13.889 13.394 -4.994 0.50 12.85 O ATOM 839 N ARG A 114 -16.245 10.508 -3.672 1.00 10.11 N ATOM 840 CA ARG A 114 -16.756 10.140 -2.347 1.00 10.29 C ATOM 841 C ARG A 114 -16.183 8.828 -1.797 1.00 9.18 C ATOM 842 O ARG A 114 -15.869 8.716 -0.587 1.00 8.88 O ATOM 843 CB ARG A 114 -18.279 10.043 -2.349 1.00 10.52 C ATOM 844 CG ARG A 114 -18.874 9.870 -0.942 1.00 11.45 C ATOM 845 CD ARG A 114 -20.381 10.097 -0.941 1.00 14.84 C ATOM 846 NE ARG A 114 -21.078 9.004 -1.632 1.00 17.50 N ATOM 847 CZ ARG A 114 -21.870 9.103 -2.695 1.00 20.51 C ATOM 848 NH1 ARG A 114 -22.176 10.274 -3.275 1.00 23.31 N ATOM 849 NH2 ARG A 114 -22.413 7.993 -3.174 1.00 19.19 N ATOM 850 N VAL A 115 -16.072 7.836 -2.654 1.00 7.64 N ATOM 851 CA VAL A 115 -15.549 6.543 -2.222 1.00 8.22 C ATOM 852 C VAL A 115 -14.108 6.697 -1.747 1.00 8.20 C ATOM 853 O VAL A 115 -13.687 6.123 -0.756 1.00 8.56 O ATOM 854 CB VAL A 115 -15.696 5.480 -3.345 1.00 8.94 C ATOM 855 CG1 VAL A 115 -14.862 4.211 -3.009 1.00 10.12 C ATOM 856 CG2 VAL A 115 -17.160 5.090 -3.522 1.00 8.74 C ATOM 857 N HIS A 116 -13.338 7.516 -2.433 1.00 8.53 N ATOM 858 CA HIS A 116 -11.958 7.772 -2.026 1.00 8.51 C ATOM 859 C HIS A 116 -11.889 8.585 -0.739 1.00 8.76 C ATOM 860 O HIS A 116 -11.064 8.310 0.104 1.00 9.38 O ATOM 861 CB HIS A 116 -11.179 8.412 -3.150 1.00 8.85 C ATOM 862 CG HIS A 116 -10.789 7.420 -4.199 1.00 10.56 C ATOM 863 ND1 HIS A 116 -11.535 7.200 -5.325 1.00 13.06 N ATOM 864 CD2 HIS A 116 -9.774 6.529 -4.231 1.00 11.98 C ATOM 865 CE1 HIS A 116 -10.967 6.233 -6.039 1.00 13.96 C ATOM 866 NE2 HIS A 116 -9.882 5.826 -5.397 1.00 11.51 N ATOM 867 N ASP A 117 -12.751 9.591 -0.601 1.00 9.94 N ATOM 868 CA ASP A 117 -12.885 10.285 0.677 1.00 10.42 C ATOM 869 C ASP A 117 -13.180 9.311 1.820 1.00 10.59 C ATOM 870 O ASP A 117 -12.545 9.365 2.889 1.00 11.04 O ATOM 871 CB ASP A 117 -13.976 11.360 0.609 1.00 11.07 C ATOM 872 CG ASP A 117 -13.600 12.561 -0.229 1.00 13.08 C ATOM 873 OD1 ASP A 117 -12.437 12.685 -0.681 1.00 16.32 O ATOM 874 OD2 ASP A 117 -14.522 13.378 -0.484 1.00 13.84 O ATOM 875 N GLU A 118 -14.120 8.399 1.609 1.00 9.23 N ATOM 876 CA GLU A 118 -14.502 7.440 2.610 1.00 10.44 C ATOM 877 C GLU A 118 -13.344 6.492 2.924 1.00 10.02 C ATOM 878 O GLU A 118 -13.153 6.099 4.099 1.00 10.19 O ATOM 879 CB GLU A 118 -15.745 6.674 2.160 1.00 10.87 C ATOM 880 CG GLU A 118 -16.994 7.521 2.138 1.00 11.83 C ATOM 881 CD GLU A 118 -18.183 6.870 1.440 1.00 13.98 C ATOM 882 OE1 GLU A 118 -18.006 5.816 0.798 1.00 18.41 O ATOM 883 OE2 GLU A 118 -19.286 7.448 1.499 1.00 16.49 O ATOM 884 N LEU A 119 -12.536 6.167 1.902 1.00 10.31 N ATOM 885 CA LEU A 119 -11.334 5.315 2.088 1.00 10.46 C ATOM 886 C LEU A 119 -10.348 5.950 3.047 1.00 10.57 C ATOM 887 O LEU A 119 -9.828 5.278 3.943 1.00 10.43 O ATOM 888 CB LEU A 119 -10.646 5.038 0.742 1.00 9.50 C ATOM 889 CG LEU A 119 -9.351 4.210 0.772 1.00 10.36 C ATOM 890 CD1 LEU A 119 -9.711 2.785 1.225 1.00 9.86 C ATOM 891 CD2 LEU A 119 -8.639 4.242 -0.589 1.00 10.73 C ATOM 892 N PHE A 120 -10.068 7.235 2.864 1.00 11.32 N ATOM 893 CA PHE A 120 -9.013 7.911 3.595 1.00 11.63 C ATOM 894 C PHE A 120 -9.511 8.510 4.920 1.00 12.61 C ATOM 895 O PHE A 120 -8.717 8.910 5.739 1.00 12.52 O ATOM 896 CB PHE A 120 -8.367 8.995 2.721 1.00 12.15 C ATOM 897 CG PHE A 120 -7.725 8.452 1.470 1.00 11.79 C ATOM 898 CD1 PHE A 120 -8.065 8.952 0.216 1.00 9.98 C ATOM 899 CD2 PHE A 120 -6.826 7.386 1.538 1.00 11.99 C ATOM 900 CE1 PHE A 120 -7.496 8.430 -0.953 1.00 11.11 C ATOM 901 CE2 PHE A 120 -6.241 6.890 0.361 1.00 11.28 C ATOM 902 CZ PHE A 120 -6.598 7.404 -0.881 1.00 11.20 C ATOM 903 N ALA A 121 -10.828 8.520 5.111 1.00 12.77 N ATOM 904 CA ALA A 121 -11.454 9.067 6.328 1.00 13.27 C ATOM 905 C ALA A 121 -10.883 8.581 7.654 1.00 13.46 C ATOM 906 O ALA A 121 -10.847 9.345 8.651 1.00 14.08 O ATOM 907 CB ALA A 121 -12.955 8.820 6.284 1.00 12.96 C ATOM 908 N PRO A 122 -10.505 7.292 7.740 1.00 13.86 N ATOM 909 CA PRO A 122 -9.993 6.846 9.039 1.00 13.39 C ATOM 910 C PRO A 122 -8.621 7.386 9.435 1.00 13.98 C ATOM 911 O PRO A 122 -8.210 7.198 10.573 1.00 13.54 O ATOM 912 CB PRO A 122 -9.889 5.339 8.876 1.00 14.18 C ATOM 913 CG PRO A 122 -10.843 5.003 7.757 1.00 14.87 C ATOM 914 CD PRO A 122 -10.595 6.160 6.806 1.00 13.85 C ATOM 915 N LEU A 123 -7.960 8.082 8.529 1.00 12.01 N ATOM 916 CA LEU A 123 -6.630 8.592 8.751 1.00 11.66 C ATOM 917 C LEU A 123 -6.706 10.036 9.207 1.00 11.42 C ATOM 918 O LEU A 123 -7.434 10.853 8.618 1.00 11.66 O ATOM 919 CB ALEU A 123 -5.812 8.532 7.459 0.50 11.71 C ATOM 920 CB BLEU A 123 -5.790 8.513 7.479 0.50 11.84 C ATOM 921 CG ALEU A 123 -5.478 7.193 6.784 0.50 11.62 C ATOM 922 CG BLEU A 123 -5.203 7.149 7.112 0.50 12.13 C ATOM 923 CD1ALEU A 123 -4.655 7.439 5.510 0.50 13.06 C ATOM 924 CD1BLEU A 123 -6.331 6.188 6.777 0.50 12.52 C ATOM 925 CD2ALEU A 123 -4.729 6.262 7.739 0.50 9.33 C ATOM 926 CD2BLEU A 123 -4.186 7.291 5.960 0.50 11.78 C ATOM 927 N THR A 124 -5.885 10.387 10.184 1.00 10.44 N ATOM 928 CA THR A 124 -5.793 11.783 10.601 1.00 10.56 C ATOM 929 C THR A 124 -5.056 12.601 9.546 1.00 10.84 C ATOM 930 O THR A 124 -4.410 12.040 8.678 1.00 10.15 O ATOM 931 CB THR A 124 -5.033 11.908 11.908 1.00 10.93 C ATOM 932 OG1 THR A 124 -3.715 11.409 11.727 1.00 10.52 O ATOM 933 CG2 THR A 124 -5.735 11.119 13.062 1.00 10.54 C ATOM 934 N PRO A 125 -5.137 13.940 9.626 1.00 10.55 N ATOM 935 CA PRO A 125 -4.398 14.748 8.684 1.00 10.77 C ATOM 936 C PRO A 125 -2.910 14.430 8.594 1.00 10.69 C ATOM 937 O PRO A 125 -2.377 14.355 7.479 1.00 9.82 O ATOM 938 CB PRO A 125 -4.677 16.157 9.179 1.00 12.16 C ATOM 939 CG PRO A 125 -6.047 16.062 9.710 1.00 11.51 C ATOM 940 CD PRO A 125 -6.001 14.787 10.462 1.00 10.88 C ATOM 941 N VAL A 126 -2.257 14.185 9.714 1.00 9.25 N ATOM 942 CA VAL A 126 -0.844 13.778 9.650 1.00 9.53 C ATOM 943 C VAL A 126 -0.644 12.411 9.006 1.00 10.03 C ATOM 944 O VAL A 126 0.283 12.223 8.215 1.00 9.34 O ATOM 945 CB VAL A 126 -0.099 13.875 11.014 1.00 9.84 C ATOM 946 CG1 VAL A 126 -0.640 12.851 12.083 1.00 10.24 C ATOM 947 CG2 VAL A 126 1.432 13.773 10.796 1.00 8.59 C ATOM 948 N GLU A 127 -1.509 11.458 9.324 1.00 9.38 N ATOM 949 CA GLU A 127 -1.449 10.143 8.680 1.00 10.69 C ATOM 950 C GLU A 127 -1.647 10.283 7.183 1.00 10.21 C ATOM 951 O GLU A 127 -0.970 9.624 6.387 1.00 9.73 O ATOM 952 CB GLU A 127 -2.502 9.195 9.254 1.00 10.94 C ATOM 953 CG GLU A 127 -2.140 8.797 10.673 1.00 9.72 C ATOM 954 CD GLU A 127 -3.198 8.041 11.431 1.00 13.10 C ATOM 955 OE1 GLU A 127 -4.402 8.157 11.158 1.00 11.95 O ATOM 956 OE2 GLU A 127 -2.803 7.352 12.387 1.00 15.26 O ATOM 957 N GLN A 128 -2.608 11.116 6.797 1.00 10.23 N ATOM 958 CA GLN A 128 -2.853 11.355 5.373 1.00 10.11 C ATOM 959 C GLN A 128 -1.623 11.902 4.665 1.00 9.50 C ATOM 960 O GLN A 128 -1.249 11.413 3.583 1.00 9.14 O ATOM 961 CB GLN A 128 -4.067 12.260 5.152 1.00 10.07 C ATOM 962 CG GLN A 128 -5.382 11.553 5.509 1.00 10.21 C ATOM 963 CD GLN A 128 -6.565 12.407 5.241 1.00 11.80 C ATOM 964 OE1 GLN A 128 -6.458 13.444 4.579 1.00 15.31 O ATOM 965 NE2 GLN A 128 -7.722 12.000 5.757 1.00 15.55 N ATOM 966 N ALA A 129 -0.991 12.910 5.271 1.00 9.87 N ATOM 967 CA ALA A 129 0.226 13.506 4.714 1.00 9.65 C ATOM 968 C ALA A 129 1.394 12.514 4.683 1.00 10.15 C ATOM 969 O ALA A 129 2.187 12.483 3.739 1.00 10.00 O ATOM 970 CB ALA A 129 0.586 14.807 5.477 1.00 9.54 C ATOM 971 N THR A 130 1.486 11.667 5.702 1.00 10.73 N ATOM 972 CA THR A 130 2.531 10.644 5.714 1.00 10.07 C ATOM 973 C THR A 130 2.319 9.649 4.550 1.00 9.74 C ATOM 974 O THR A 130 3.267 9.251 3.873 1.00 9.20 O ATOM 975 CB THR A 130 2.554 9.904 7.048 1.00 10.00 C ATOM 976 OG1 THR A 130 2.765 10.837 8.119 1.00 9.01 O ATOM 977 CG2 THR A 130 3.660 8.850 7.104 1.00 11.02 C ATOM 978 N LEU A 131 1.076 9.222 4.364 1.00 9.20 N ATOM 979 CA LEU A 131 0.769 8.290 3.289 1.00 9.33 C ATOM 980 C LEU A 131 1.078 8.897 1.911 1.00 9.36 C ATOM 981 O LEU A 131 1.708 8.247 1.048 1.00 9.22 O ATOM 982 CB LEU A 131 -0.676 7.850 3.388 1.00 9.55 C ATOM 983 CG LEU A 131 -1.130 6.789 2.355 1.00 8.93 C ATOM 984 CD1 LEU A 131 -0.183 5.597 2.292 1.00 11.24 C ATOM 985 CD2 LEU A 131 -2.588 6.327 2.698 1.00 10.88 C ATOM 986 N VAL A 132 0.694 10.162 1.692 1.00 8.89 N ATOM 987 CA VAL A 132 1.087 10.876 0.449 1.00 9.66 C ATOM 988 C VAL A 132 2.573 10.806 0.203 1.00 9.70 C ATOM 989 O VAL A 132 3.042 10.463 -0.903 1.00 9.79 O ATOM 990 CB VAL A 132 0.629 12.340 0.439 1.00 9.85 C ATOM 991 CG1 VAL A 132 1.279 13.127 -0.761 1.00 10.91 C ATOM 992 CG2 VAL A 132 -0.906 12.406 0.383 1.00 9.09 C ATOM 993 N HIS A 133 3.341 11.077 1.252 1.00 11.07 N ATOM 994 CA HIS A 133 4.791 11.117 1.153 1.00 10.35 C ATOM 995 C HIS A 133 5.394 9.758 0.804 1.00 9.43 C ATOM 996 O HIS A 133 6.259 9.655 -0.050 1.00 9.13 O ATOM 997 CB HIS A 133 5.434 11.599 2.469 1.00 11.50 C ATOM 998 CG HIS A 133 6.922 11.427 2.485 1.00 12.76 C ATOM 999 ND1 HIS A 133 7.746 12.083 1.601 1.00 16.29 N ATOM 1000 CD2 HIS A 133 7.718 10.577 3.176 1.00 18.49 C ATOM 1001 CE1 HIS A 133 8.996 11.714 1.807 1.00 18.22 C ATOM 1002 NE2 HIS A 133 9.008 10.795 2.752 1.00 16.82 N ATOM 1003 N LEU A 134 4.934 8.708 1.471 1.00 9.80 N ATOM 1004 CA LEU A 134 5.488 7.371 1.235 1.00 8.56 C ATOM 1005 C LEU A 134 5.137 6.864 -0.167 1.00 9.17 C ATOM 1006 O LEU A 134 5.971 6.254 -0.821 1.00 8.93 O ATOM 1007 CB LEU A 134 4.941 6.385 2.278 1.00 8.66 C ATOM 1008 CG LEU A 134 5.366 6.667 3.709 1.00 8.61 C ATOM 1009 CD1 LEU A 134 4.559 5.780 4.655 1.00 10.17 C ATOM 1010 CD2 LEU A 134 6.909 6.394 3.865 1.00 12.22 C ATOM 1011 N LEU A 135 3.902 7.114 -0.613 1.00 8.89 N ATOM 1012 CA LEU A 135 3.515 6.758 -1.993 1.00 9.33 C ATOM 1013 C LEU A 135 4.327 7.493 -3.046 1.00 9.27 C ATOM 1014 O LEU A 135 4.736 6.910 -4.058 1.00 9.83 O ATOM 1015 CB LEU A 135 2.041 7.009 -2.207 1.00 9.56 C ATOM 1016 CG LEU A 135 1.101 6.132 -1.404 1.00 9.98 C ATOM 1017 CD1 LEU A 135 -0.284 6.685 -1.505 1.00 12.34 C ATOM 1018 CD2 LEU A 135 1.163 4.676 -1.962 1.00 10.83 C ATOM 1019 N ASP A 136 4.619 8.755 -2.789 1.00 9.50 N ATOM 1020 CA ASP A 136 5.476 9.572 -3.643 1.00 10.81 C ATOM 1021 C ASP A 136 6.910 9.033 -3.656 1.00 10.42 C ATOM 1022 O ASP A 136 7.540 8.944 -4.702 1.00 10.28 O ATOM 1023 CB ASP A 136 5.471 11.000 -3.091 1.00 11.30 C ATOM 1024 CG ASP A 136 5.957 12.037 -4.086 1.00 10.65 C ATOM 1025 OD1 ASP A 136 5.590 11.938 -5.262 1.00 12.52 O ATOM 1026 OD2 ASP A 136 6.695 12.961 -3.668 1.00 13.93 O ATOM 1027 N GLN A 137 7.412 8.677 -2.479 1.00 10.35 N ATOM 1028 CA GLN A 137 8.793 8.229 -2.366 1.00 10.72 C ATOM 1029 C GLN A 137 8.987 6.945 -3.163 1.00 10.25 C ATOM 1030 O GLN A 137 10.024 6.790 -3.803 1.00 11.08 O ATOM 1031 CB GLN A 137 9.187 7.993 -0.917 1.00 10.95 C ATOM 1032 CG GLN A 137 10.684 7.789 -0.675 1.00 12.78 C ATOM 1033 CD GLN A 137 11.543 9.026 -0.931 1.00 15.52 C ATOM 1034 OE1 GLN A 137 11.112 9.982 -1.584 1.00 19.43 O ATOM 1035 NE2 GLN A 137 12.790 8.999 -0.421 1.00 16.05 N ATOM 1036 N CYS A 138 8.031 6.017 -3.063 1.00 9.53 N ATOM 1037 CA CYS A 138 8.028 4.770 -3.858 1.00 10.55 C ATOM 1038 C CYS A 138 8.193 5.072 -5.350 1.00 11.53 C ATOM 1039 O CYS A 138 9.048 4.506 -6.058 1.00 11.33 O ATOM 1040 CB CYS A 138 6.681 3.986 -3.644 1.00 9.55 C ATOM 1041 SG CYS A 138 6.659 3.137 -2.138 1.00 15.18 S ATOM 1042 N LEU A 139 7.340 5.962 -5.827 1.00 9.92 N ATOM 1043 CA LEU A 139 7.294 6.253 -7.246 1.00 10.55 C ATOM 1044 C LEU A 139 8.542 6.985 -7.759 1.00 10.78 C ATOM 1045 O LEU A 139 9.014 6.707 -8.859 1.00 11.15 O ATOM 1046 CB LEU A 139 6.064 7.060 -7.610 1.00 10.71 C ATOM 1047 CG LEU A 139 4.881 6.363 -8.250 1.00 14.22 C ATOM 1048 CD1 LEU A 139 3.808 7.392 -8.504 1.00 13.16 C ATOM 1049 CD2 LEU A 139 5.247 5.640 -9.535 1.00 14.22 C ATOM 1050 N ALA A 140 9.017 7.963 -6.987 1.00 9.76 N ATOM 1051 CA ALA A 140 10.144 8.804 -7.393 1.00 9.32 C ATOM 1052 C ALA A 140 11.445 8.022 -7.624 1.00 9.22 C ATOM 1053 O ALA A 140 12.332 8.466 -8.351 1.00 6.72 O ATOM 1054 CB ALA A 140 10.364 9.897 -6.359 1.00 9.09 C ATOM 1055 N ALA A 141 11.565 6.865 -6.982 1.00 9.58 N ATOM 1056 CA ALA A 141 12.761 6.028 -7.079 1.00 10.46 C ATOM 1057 C ALA A 141 12.705 5.086 -8.267 1.00 11.34 C ATOM 1058 O ALA A 141 13.600 4.291 -8.454 1.00 12.76 O ATOM 1059 CB ALA A 141 12.932 5.231 -5.789 1.00 9.29 C ATOM 1060 N GLN A 142 11.638 5.142 -9.056 1.00 11.97 N ATOM 1061 CA GLN A 142 11.452 4.232 -10.174 1.00 11.95 C ATOM 1062 C GLN A 142 12.075 4.779 -11.433 1.00 12.34 C ATOM 1063 O GLN A 142 12.577 5.908 -11.498 1.00 13.05 O ATOM 1064 CB GLN A 142 9.960 3.995 -10.412 1.00 11.98 C ATOM 1065 CG GLN A 142 9.268 3.392 -9.207 1.00 11.98 C ATOM 1066 CD GLN A 142 9.987 2.158 -8.673 1.00 11.18 C ATOM 1067 OE1 GLN A 142 10.315 1.233 -9.420 1.00 12.98 O ATOM 1068 NE2 GLN A 142 10.201 2.130 -7.366 1.00 10.74 N ATOM 1069 OXT GLN A 142 12.083 4.096 -12.449 1.00 13.75 O TER 1070 GLN A 142 ATOM 1071 N MET B 1 -18.003 13.379 7.231 1.00 21.58 N ATOM 1072 CA MET B 1 -16.561 13.693 7.133 1.00 21.85 C ATOM 1073 C MET B 1 -16.086 14.339 8.436 1.00 20.79 C ATOM 1074 O MET B 1 -16.848 15.075 9.040 1.00 20.63 O ATOM 1075 CB MET B 1 -16.383 14.681 5.979 1.00 22.06 C ATOM 1076 CG MET B 1 -14.992 14.838 5.491 1.00 23.15 C ATOM 1077 SD MET B 1 -14.879 16.096 4.210 1.00 26.95 S ATOM 1078 CE MET B 1 -16.463 16.072 3.387 1.00 25.85 C ATOM 1079 N ASN B 2 -14.850 14.063 8.879 1.00 19.58 N ATOM 1080 CA ASN B 2 -14.258 14.832 10.006 1.00 19.42 C ATOM 1081 C ASN B 2 -13.511 16.086 9.558 1.00 18.48 C ATOM 1082 O ASN B 2 -13.646 17.157 10.165 1.00 17.73 O ATOM 1083 CB ASN B 2 -13.322 13.979 10.866 1.00 18.87 C ATOM 1084 CG ASN B 2 -14.065 12.994 11.753 1.00 18.82 C ATOM 1085 OD1 ASN B 2 -15.016 13.351 12.469 1.00 13.96 O ATOM 1086 ND2 ASN B 2 -13.621 11.743 11.724 1.00 17.33 N ATOM 1087 N TYR B 3 -12.705 15.945 8.507 1.00 18.64 N ATOM 1088 CA TYR B 3 -11.852 17.028 8.007 1.00 18.67 C ATOM 1089 C TYR B 3 -11.727 16.790 6.522 1.00 17.94 C ATOM 1090 O TYR B 3 -11.875 15.649 6.060 1.00 18.04 O ATOM 1091 CB TYR B 3 -10.421 17.025 8.601 1.00 19.67 C ATOM 1092 CG TYR B 3 -10.319 17.215 10.085 1.00 21.77 C ATOM 1093 CD1 TYR B 3 -10.575 18.469 10.675 1.00 20.82 C ATOM 1094 CD2 TYR B 3 -9.966 16.153 10.918 1.00 22.58 C ATOM 1095 CE1 TYR B 3 -10.484 18.651 12.048 1.00 22.49 C ATOM 1096 CE2 TYR B 3 -9.876 16.324 12.288 1.00 22.41 C ATOM 1097 CZ TYR B 3 -10.144 17.574 12.850 1.00 22.55 C ATOM 1098 OH TYR B 3 -10.062 17.738 14.200 1.00 23.49 O ATOM 1099 N PRO B 4 -11.444 17.861 5.757 1.00 17.61 N ATOM 1100 CA PRO B 4 -11.310 17.628 4.332 1.00 16.79 C ATOM 1101 C PRO B 4 -10.143 16.655 4.073 1.00 15.98 C ATOM 1102 O PRO B 4 -9.163 16.666 4.801 1.00 17.17 O ATOM 1103 CB PRO B 4 -11.081 19.039 3.757 1.00 17.40 C ATOM 1104 CG PRO B 4 -11.521 20.010 4.856 1.00 17.49 C ATOM 1105 CD PRO B 4 -11.262 19.275 6.134 1.00 17.75 C ATOM 1106 N VAL B 5 -10.255 15.801 3.068 1.00 14.81 N ATOM 1107 CA VAL B 5 -9.166 14.876 2.733 1.00 13.78 C ATOM 1108 C VAL B 5 -8.019 15.632 2.106 1.00 13.14 C ATOM 1109 O VAL B 5 -8.223 16.613 1.366 1.00 12.97 O ATOM 1110 CB VAL B 5 -9.665 13.744 1.775 1.00 13.56 C ATOM 1111 CG1 VAL B 5 -10.068 14.323 0.433 1.00 16.66 C ATOM 1112 CG2 VAL B 5 -8.605 12.671 1.579 1.00 13.87 C ATOM 1113 N ASN B 6 -6.799 15.217 2.388 1.00 11.11 N ATOM 1114 CA ASN B 6 -5.637 15.732 1.678 1.00 11.19 C ATOM 1115 C ASN B 6 -5.863 15.566 0.161 1.00 11.29 C ATOM 1116 O ASN B 6 -6.041 14.429 -0.309 1.00 9.50 O ATOM 1117 CB ASN B 6 -4.404 14.923 2.131 1.00 10.69 C ATOM 1118 CG ASN B 6 -3.102 15.466 1.615 1.00 11.28 C ATOM 1119 OD1 ASN B 6 -2.960 15.775 0.441 1.00 11.45 O ATOM 1120 ND2 ASN B 6 -2.142 15.585 2.493 1.00 12.72 N ATOM 1121 N PRO B 7 -5.832 16.672 -0.611 1.00 11.80 N ATOM 1122 CA PRO B 7 -6.145 16.604 -2.061 1.00 11.87 C ATOM 1123 C PRO B 7 -5.145 15.841 -2.900 1.00 11.07 C ATOM 1124 O PRO B 7 -5.451 15.474 -4.070 1.00 11.70 O ATOM 1125 CB PRO B 7 -6.215 18.071 -2.497 1.00 12.55 C ATOM 1126 CG PRO B 7 -5.960 18.875 -1.324 1.00 15.96 C ATOM 1127 CD PRO B 7 -5.516 18.051 -0.190 1.00 12.85 C ATOM 1128 N ASP B 8 -3.954 15.590 -2.344 1.00 10.27 N ATOM 1129 CA ASP B 8 -2.943 14.809 -3.072 1.00 11.34 C ATOM 1130 C ASP B 8 -3.003 13.304 -2.825 1.00 9.99 C ATOM 1131 O ASP B 8 -2.338 12.557 -3.511 1.00 9.92 O ATOM 1132 CB ASP B 8 -1.548 15.338 -2.794 1.00 9.91 C ATOM 1133 CG ASP B 8 -1.323 16.750 -3.378 1.00 16.53 C ATOM 1134 OD1 ASP B 8 -1.858 17.078 -4.475 1.00 16.82 O ATOM 1135 OD2 ASP B 8 -0.595 17.499 -2.727 1.00 18.08 O ATOM 1136 N LEU B 9 -3.836 12.857 -1.895 1.00 9.47 N ATOM 1137 CA LEU B 9 -3.833 11.459 -1.518 1.00 9.49 C ATOM 1138 C LEU B 9 -4.450 10.539 -2.599 1.00 9.61 C ATOM 1139 O LEU B 9 -3.832 9.521 -3.005 1.00 9.27 O ATOM 1140 CB LEU B 9 -4.462 11.326 -0.128 1.00 9.97 C ATOM 1141 CG LEU B 9 -4.310 9.999 0.575 1.00 9.87 C ATOM 1142 CD1 LEU B 9 -2.964 9.299 0.388 1.00 9.17 C ATOM 1143 CD2 LEU B 9 -4.647 10.214 2.092 1.00 11.40 C ATOM 1144 N MET B 10 -5.614 10.896 -3.121 1.00 8.20 N ATOM 1145 CA MET B 10 -6.211 10.045 -4.140 1.00 9.57 C ATOM 1146 C MET B 10 -5.325 9.965 -5.384 1.00 9.90 C ATOM 1147 O MET B 10 -5.034 8.851 -5.825 1.00 9.79 O ATOM 1148 CB AMET B 10 -7.628 10.499 -4.489 0.50 9.86 C ATOM 1149 CB BMET B 10 -7.609 10.530 -4.504 0.50 9.56 C ATOM 1150 CG AMET B 10 -8.239 9.698 -5.618 0.50 9.59 C ATOM 1151 CG BMET B 10 -8.229 9.683 -5.566 0.50 8.50 C ATOM 1152 SD AMET B 10 -7.847 10.435 -7.208 0.50 13.54 S ATOM 1153 SD BMET B 10 -9.845 10.186 -6.041 0.50 8.72 S ATOM 1154 CE AMET B 10 -9.264 11.536 -7.141 0.50 18.79 C ATOM 1155 CE BMET B 10 -9.890 9.404 -7.648 0.50 10.50 C ATOM 1156 N PRO B 11 -4.827 11.112 -5.886 1.00 9.22 N ATOM 1157 CA PRO B 11 -3.866 10.993 -6.996 1.00 10.05 C ATOM 1158 C PRO B 11 -2.573 10.213 -6.705 1.00 9.92 C ATOM 1159 O PRO B 11 -2.136 9.462 -7.563 1.00 8.73 O ATOM 1160 CB PRO B 11 -3.581 12.443 -7.387 1.00 11.09 C ATOM 1161 CG PRO B 11 -4.727 13.248 -6.811 1.00 10.29 C ATOM 1162 CD PRO B 11 -5.118 12.534 -5.571 1.00 10.20 C ATOM 1163 N ALA B 12 -1.975 10.387 -5.538 1.00 10.13 N ATOM 1164 CA ALA B 12 -0.773 9.633 -5.189 1.00 10.29 C ATOM 1165 C ALA B 12 -1.053 8.115 -5.183 1.00 10.12 C ATOM 1166 O ALA B 12 -0.206 7.325 -5.636 1.00 10.27 O ATOM 1167 CB ALA B 12 -0.204 10.094 -3.812 1.00 10.26 C ATOM 1168 N LEU B 13 -2.202 7.720 -4.654 1.00 10.51 N ATOM 1169 CA LEU B 13 -2.600 6.307 -4.660 1.00 10.88 C ATOM 1170 C LEU B 13 -2.830 5.836 -6.092 1.00 11.10 C ATOM 1171 O LEU B 13 -2.309 4.796 -6.484 1.00 10.40 O ATOM 1172 CB LEU B 13 -3.868 6.054 -3.822 1.00 11.10 C ATOM 1173 CG LEU B 13 -4.234 4.593 -3.622 1.00 11.05 C ATOM 1174 CD1 LEU B 13 -3.097 3.780 -2.906 1.00 11.52 C ATOM 1175 CD2 LEU B 13 -5.532 4.462 -2.844 1.00 12.25 C ATOM 1176 N MET B 14 -3.565 6.619 -6.887 1.00 10.53 N ATOM 1177 CA AMET B 14 -3.863 6.233 -8.277 0.60 10.89 C ATOM 1178 CA BMET B 14 -3.862 6.205 -8.256 0.40 12.10 C ATOM 1179 C MET B 14 -2.576 6.060 -9.060 1.00 11.46 C ATOM 1180 O MET B 14 -2.471 5.126 -9.860 1.00 10.55 O ATOM 1181 CB AMET B 14 -4.747 7.254 -8.988 0.60 10.76 C ATOM 1182 CB BMET B 14 -4.837 7.155 -8.941 0.40 12.33 C ATOM 1183 CG AMET B 14 -6.164 7.381 -8.407 0.60 11.22 C ATOM 1184 CG BMET B 14 -6.257 7.051 -8.385 0.40 14.28 C ATOM 1185 SD AMET B 14 -6.954 5.779 -8.174 0.60 9.59 S ATOM 1186 SD BMET B 14 -7.385 8.229 -9.127 0.40 17.83 S ATOM 1187 CE AMET B 14 -6.806 5.143 -9.796 0.60 13.59 C ATOM 1188 CE BMET B 14 -8.925 7.782 -8.315 0.40 15.61 C ATOM 1189 N ALA B 15 -1.612 6.967 -8.833 1.00 11.53 N ATOM 1190 CA ALA B 15 -0.294 6.859 -9.502 1.00 11.34 C ATOM 1191 C ALA B 15 0.428 5.568 -9.200 1.00 10.95 C ATOM 1192 O ALA B 15 1.094 5.012 -10.102 1.00 10.56 O ATOM 1193 CB ALA B 15 0.578 8.047 -9.207 1.00 10.18 C ATOM 1194 N VAL B 16 0.329 5.077 -7.969 1.00 10.90 N ATOM 1195 CA VAL B 16 0.950 3.790 -7.602 1.00 10.53 C ATOM 1196 C VAL B 16 0.201 2.640 -8.295 1.00 10.77 C ATOM 1197 O VAL B 16 0.817 1.764 -8.896 1.00 9.95 O ATOM 1198 CB VAL B 16 1.024 3.614 -6.081 1.00 11.94 C ATOM 1199 CG1 VAL B 16 1.242 2.182 -5.697 1.00 12.15 C ATOM 1200 CG2 VAL B 16 2.126 4.569 -5.519 1.00 9.63 C ATOM 1201 N PHE B 17 -1.127 2.689 -8.270 1.00 9.90 N ATOM 1202 CA PHE B 17 -1.919 1.685 -9.017 1.00 11.00 C ATOM 1203 C PHE B 17 -1.577 1.696 -10.507 1.00 10.69 C ATOM 1204 O PHE B 17 -1.434 0.626 -11.127 1.00 10.38 O ATOM 1205 CB PHE B 17 -3.425 1.926 -8.831 1.00 10.71 C ATOM 1206 CG PHE B 17 -3.949 1.661 -7.438 1.00 12.12 C ATOM 1207 CD1 PHE B 17 -3.365 0.710 -6.583 1.00 12.10 C ATOM 1208 CD2 PHE B 17 -5.126 2.303 -7.015 1.00 12.02 C ATOM 1209 CE1 PHE B 17 -3.873 0.493 -5.358 1.00 12.79 C ATOM 1210 CE2 PHE B 17 -5.658 2.057 -5.769 1.00 13.27 C ATOM 1211 CZ PHE B 17 -5.028 1.153 -4.929 1.00 12.79 C ATOM 1212 N GLN B 18 -1.437 2.896 -11.080 1.00 10.48 N ATOM 1213 CA AGLN B 18 -1.033 3.082 -12.474 0.50 11.29 C ATOM 1214 CA BGLN B 18 -1.055 3.025 -12.477 0.50 11.11 C ATOM 1215 C GLN B 18 0.345 2.501 -12.749 1.00 10.75 C ATOM 1216 O GLN B 18 0.572 1.771 -13.737 1.00 10.50 O ATOM 1217 CB AGLN B 18 -1.031 4.575 -12.833 0.50 10.60 C ATOM 1218 CB BGLN B 18 -1.161 4.466 -12.961 0.50 10.51 C ATOM 1219 CG AGLN B 18 -0.363 4.911 -14.161 0.50 12.28 C ATOM 1220 CG BGLN B 18 -0.884 4.602 -14.448 0.50 12.10 C ATOM 1221 CD AGLN B 18 -0.524 6.364 -14.578 0.50 12.82 C ATOM 1222 CD BGLN B 18 -1.915 5.430 -15.174 0.50 13.60 C ATOM 1223 OE1AGLN B 18 0.155 7.278 -14.059 0.50 16.57 O ATOM 1224 OE1BGLN B 18 -2.716 4.902 -15.938 0.50 17.46 O ATOM 1225 NE2AGLN B 18 -1.398 6.590 -15.570 0.50 17.62 N ATOM 1226 NE2BGLN B 18 -1.921 6.724 -14.919 0.50 17.44 N ATOM 1227 N HIS B 19 1.297 2.846 -11.902 1.00 10.12 N ATOM 1228 CA HIS B 19 2.620 2.281 -12.049 1.00 10.11 C ATOM 1229 C HIS B 19 2.615 0.738 -12.106 1.00 8.88 C ATOM 1230 O HIS B 19 3.309 0.132 -12.940 1.00 10.57 O ATOM 1231 CB HIS B 19 3.497 2.744 -10.878 1.00 10.38 C ATOM 1232 CG HIS B 19 4.811 2.040 -10.808 1.00 10.18 C ATOM 1233 ND1 HIS B 19 5.910 2.482 -11.489 1.00 9.34 N ATOM 1234 CD2 HIS B 19 5.195 0.920 -10.144 1.00 11.85 C ATOM 1235 CE1 HIS B 19 6.929 1.670 -11.242 1.00 12.76 C ATOM 1236 NE2 HIS B 19 6.518 0.709 -10.431 1.00 12.26 N ATOM 1237 N VAL B 20 1.892 0.107 -11.213 1.00 9.16 N ATOM 1238 CA VAL B 20 1.888 -1.339 -11.102 1.00 9.04 C ATOM 1239 C VAL B 20 1.325 -1.916 -12.381 1.00 9.53 C ATOM 1240 O VAL B 20 1.884 -2.869 -12.928 1.00 9.57 O ATOM 1241 CB VAL B 20 1.131 -1.845 -9.859 1.00 9.00 C ATOM 1242 CG1 VAL B 20 0.934 -3.382 -9.897 1.00 9.49 C ATOM 1243 CG2 VAL B 20 1.890 -1.434 -8.542 1.00 8.52 C ATOM 1244 N ARG B 21 0.236 -1.343 -12.866 1.00 8.45 N ATOM 1245 CA ARG B 21 -0.354 -1.884 -14.133 1.00 8.98 C ATOM 1246 C ARG B 21 0.593 -1.719 -15.327 1.00 9.50 C ATOM 1247 O ARG B 21 0.795 -2.635 -16.146 1.00 8.54 O ATOM 1248 CB ARG B 21 -1.717 -1.259 -14.415 1.00 8.74 C ATOM 1249 CG ARG B 21 -2.418 -1.992 -15.551 1.00 10.10 C ATOM 1250 CD ARG B 21 -3.761 -1.454 -15.865 1.00 9.98 C ATOM 1251 NE ARG B 21 -3.700 -0.149 -16.520 1.00 12.36 N ATOM 1252 CZ ARG B 21 -4.762 0.470 -17.006 1.00 13.22 C ATOM 1253 NH1 ARG B 21 -5.983 -0.038 -16.827 1.00 11.60 N ATOM 1254 NH2 ARG B 21 -4.613 1.639 -17.623 1.00 14.47 N ATOM 1255 N THR B 22 1.156 -0.538 -15.419 1.00 9.10 N ATOM 1256 CA THR B 22 2.013 -0.190 -16.524 1.00 9.44 C ATOM 1257 C THR B 22 3.259 -1.047 -16.576 1.00 9.12 C ATOM 1258 O THR B 22 3.680 -1.526 -17.641 1.00 8.19 O ATOM 1259 CB THR B 22 2.394 1.278 -16.455 1.00 8.19 C ATOM 1260 OG1 THR B 22 1.210 2.069 -16.609 1.00 10.45 O ATOM 1261 CG2 THR B 22 3.395 1.630 -17.559 1.00 10.44 C ATOM 1262 N ARG B 23 3.882 -1.232 -15.426 1.00 9.27 N ATOM 1263 CA ARG B 23 5.056 -2.065 -15.337 1.00 9.71 C ATOM 1264 C ARG B 23 4.783 -3.546 -15.628 1.00 9.71 C ATOM 1265 O ARG B 23 5.559 -4.192 -16.348 1.00 9.50 O ATOM 1266 CB ARG B 23 5.686 -1.923 -13.953 1.00 11.04 C ATOM 1267 CG ARG B 23 6.369 -0.602 -13.694 1.00 12.47 C ATOM 1268 CD ARG B 23 7.538 -0.331 -14.595 1.00 19.21 C ATOM 1269 NE ARG B 23 8.486 -1.425 -14.522 1.00 21.27 N ATOM 1270 CZ ARG B 23 8.992 -2.064 -15.571 1.00 25.88 C ATOM 1271 NH1 ARG B 23 8.700 -1.687 -16.817 1.00 27.48 N ATOM 1272 NH2 ARG B 23 9.834 -3.067 -15.366 1.00 26.76 N ATOM 1273 N ILE B 24 3.705 -4.089 -15.069 1.00 9.15 N ATOM 1274 CA ILE B 24 3.371 -5.472 -15.343 1.00 9.54 C ATOM 1275 C ILE B 24 3.129 -5.607 -16.825 1.00 8.73 C ATOM 1276 O ILE B 24 3.663 -6.504 -17.476 1.00 9.09 O ATOM 1277 CB ILE B 24 2.172 -5.966 -14.547 1.00 8.24 C ATOM 1278 CG1 ILE B 24 2.531 -6.034 -13.070 1.00 7.63 C ATOM 1279 CG2 ILE B 24 1.753 -7.361 -15.030 1.00 8.93 C ATOM 1280 CD1 ILE B 24 1.262 -6.180 -12.137 1.00 10.12 C ATOM 1281 N GLN B 25 2.306 -4.731 -17.379 1.00 9.68 N ATOM 1282 CA GLN B 25 2.022 -4.853 -18.800 1.00 9.61 C ATOM 1283 C GLN B 25 3.263 -4.754 -19.692 1.00 10.34 C ATOM 1284 O GLN B 25 3.397 -5.485 -20.720 1.00 8.81 O ATOM 1285 CB GLN B 25 0.986 -3.853 -19.245 1.00 10.12 C ATOM 1286 CG GLN B 25 0.481 -4.091 -20.646 1.00 10.12 C ATOM 1287 CD GLN B 25 -0.338 -5.392 -20.760 1.00 10.19 C ATOM 1288 OE1 GLN B 25 -1.467 -5.488 -20.234 1.00 9.06 O ATOM 1289 NE2 GLN B 25 0.220 -6.383 -21.464 1.00 9.31 N ATOM 1290 N SER B 26 4.143 -3.827 -19.352 1.00 10.25 N ATOM 1291 CA SER B 26 5.366 -3.620 -20.104 1.00 10.63 C ATOM 1292 C SER B 26 6.239 -4.886 -20.095 1.00 9.93 C ATOM 1293 O SER B 26 6.814 -5.265 -21.115 1.00 10.35 O ATOM 1294 CB SER B 26 6.156 -2.433 -19.522 1.00 11.59 C ATOM 1295 OG SER B 26 7.414 -2.341 -20.154 1.00 13.75 O ATOM 1296 N GLU B 27 6.357 -5.508 -18.926 1.00 9.57 N ATOM 1297 CA GLU B 27 7.154 -6.738 -18.781 1.00 9.70 C ATOM 1298 C GLU B 27 6.579 -7.873 -19.606 1.00 9.74 C ATOM 1299 O GLU B 27 7.314 -8.567 -20.319 1.00 10.19 O ATOM 1300 CB GLU B 27 7.240 -7.148 -17.329 1.00 11.59 C ATOM 1301 CG GLU B 27 8.109 -6.222 -16.512 1.00 15.00 C ATOM 1302 CD GLU B 27 9.561 -6.290 -16.922 1.00 22.41 C ATOM 1303 OE1 GLU B 27 10.160 -7.382 -16.882 1.00 25.74 O ATOM 1304 OE2 GLU B 27 10.117 -5.252 -17.317 1.00 26.68 O ATOM 1305 N LEU B 28 5.270 -8.059 -19.513 1.00 8.96 N ATOM 1306 CA LEU B 28 4.552 -9.057 -20.320 1.00 9.76 C ATOM 1307 C LEU B 28 4.785 -8.815 -21.809 1.00 10.02 C ATOM 1308 O LEU B 28 4.962 -9.763 -22.593 1.00 9.38 O ATOM 1309 CB LEU B 28 3.056 -9.044 -19.983 1.00 10.74 C ATOM 1310 CG LEU B 28 2.646 -9.554 -18.587 1.00 9.79 C ATOM 1311 CD1 LEU B 28 1.134 -9.243 -18.354 1.00 10.27 C ATOM 1312 CD2 LEU B 28 2.927 -11.036 -18.402 1.00 14.04 C ATOM 1313 N ASP B 29 4.731 -7.549 -22.220 1.00 9.26 N ATOM 1314 CA ASP B 29 4.922 -7.184 -23.614 1.00 10.45 C ATOM 1315 C ASP B 29 6.373 -7.362 -24.044 1.00 10.14 C ATOM 1316 O ASP B 29 6.631 -7.933 -25.132 1.00 11.06 O ATOM 1317 CB ASP B 29 4.470 -5.748 -23.872 1.00 10.53 C ATOM 1318 CG ASP B 29 2.962 -5.577 -23.770 1.00 13.40 C ATOM 1319 OD1 ASP B 29 2.218 -6.567 -23.677 1.00 17.59 O ATOM 1320 OD2 ASP B 29 2.529 -4.434 -23.763 1.00 14.13 O ATOM 1321 N CYS B 30 7.326 -6.904 -23.214 1.00 9.52 N ATOM 1322 CA CYS B 30 8.758 -7.098 -23.526 1.00 10.42 C ATOM 1323 C CYS B 30 9.137 -8.568 -23.718 1.00 11.18 C ATOM 1324 O CYS B 30 9.949 -8.935 -24.613 1.00 10.56 O ATOM 1325 CB CYS B 30 9.640 -6.517 -22.419 1.00 10.76 C ATOM 1326 SG CYS B 30 9.708 -4.746 -22.491 1.00 14.87 S ATOM 1327 N GLN B 31 8.568 -9.374 -22.836 1.00 11.29 N ATOM 1328 CA GLN B 31 8.749 -10.818 -22.816 1.00 12.21 C ATOM 1329 C GLN B 31 7.933 -11.589 -23.894 1.00 12.72 C ATOM 1330 O GLN B 31 8.038 -12.824 -23.971 1.00 14.93 O ATOM 1331 CB GLN B 31 8.469 -11.326 -21.413 1.00 10.92 C ATOM 1332 CG GLN B 31 9.426 -10.798 -20.371 1.00 13.05 C ATOM 1333 CD GLN B 31 9.176 -11.377 -19.015 1.00 15.40 C ATOM 1334 OE1 GLN B 31 8.362 -12.286 -18.878 1.00 20.11 O ATOM 1335 NE2 GLN B 31 9.850 -10.856 -17.998 1.00 19.51 N ATOM 1336 N ARG B 32 7.188 -10.891 -24.741 1.00 12.62 N ATOM 1337 CA ARG B 32 6.463 -11.496 -25.875 1.00 13.95 C ATOM 1338 C ARG B 32 5.370 -12.428 -25.503 1.00 14.35 C ATOM 1339 O ARG B 32 5.053 -13.348 -26.278 1.00 15.88 O ATOM 1340 CB ARG B 32 7.433 -12.257 -26.797 1.00 14.47 C ATOM 1341 CG ARG B 32 8.612 -11.475 -27.160 1.00 17.63 C ATOM 1342 CD ARG B 32 8.207 -10.164 -27.702 1.00 19.14 C ATOM 1343 NE ARG B 32 9.355 -9.411 -28.154 1.00 23.51 N ATOM 1344 CZ ARG B 32 9.363 -8.093 -28.306 1.00 21.99 C ATOM 1345 NH1 ARG B 32 8.276 -7.362 -28.034 1.00 24.01 N ATOM 1346 NH2 ARG B 32 10.457 -7.506 -28.724 1.00 23.97 N ATOM 1347 N LEU B 33 4.757 -12.211 -24.346 1.00 12.76 N ATOM 1348 CA LEU B 33 3.779 -13.165 -23.851 1.00 13.13 C ATOM 1349 C LEU B 33 2.364 -12.915 -24.383 1.00 12.47 C ATOM 1350 O LEU B 33 1.535 -13.817 -24.307 1.00 11.95 O ATOM 1351 CB LEU B 33 3.814 -13.271 -22.328 1.00 12.41 C ATOM 1352 CG LEU B 33 5.190 -13.660 -21.789 1.00 14.27 C ATOM 1353 CD1 LEU B 33 5.227 -13.559 -20.278 1.00 14.86 C ATOM 1354 CD2 LEU B 33 5.577 -15.061 -22.264 1.00 14.11 C ATOM 1355 N ASP B 34 2.099 -11.731 -24.941 1.00 12.73 N ATOM 1356 CA AASP B 34 0.781 -11.435 -25.499 0.60 12.88 C ATOM 1357 CA BASP B 34 0.801 -11.435 -25.518 0.40 12.84 C ATOM 1358 C ASP B 34 -0.301 -11.752 -24.487 1.00 12.80 C ATOM 1359 O ASP B 34 -1.225 -12.511 -24.754 1.00 13.69 O ATOM 1360 CB AASP B 34 0.519 -12.241 -26.779 0.60 13.75 C ATOM 1361 CB BASP B 34 0.642 -12.235 -26.833 0.40 13.31 C ATOM 1362 CG AASP B 34 1.149 -11.634 -27.997 0.60 13.10 C ATOM 1363 CG BASP B 34 -0.309 -11.579 -27.831 0.40 13.11 C ATOM 1364 OD1AASP B 34 1.555 -10.453 -27.963 0.60 16.91 O ATOM 1365 OD1BASP B 34 -0.606 -10.384 -27.683 0.40 14.10 O ATOM 1366 OD2AASP B 34 1.230 -12.343 -29.023 0.60 16.27 O ATOM 1367 OD2BASP B 34 -0.756 -12.272 -28.777 0.40 14.42 O ATOM 1368 N LEU B 35 -0.179 -11.190 -23.292 1.00 12.48 N ATOM 1369 CA LEU B 35 -1.194 -11.378 -22.252 1.00 12.44 C ATOM 1370 C LEU B 35 -1.724 -10.006 -21.819 1.00 12.11 C ATOM 1371 O LEU B 35 -0.966 -9.050 -21.756 1.00 12.49 O ATOM 1372 CB LEU B 35 -0.621 -12.086 -21.032 1.00 13.09 C ATOM 1373 CG LEU B 35 -0.242 -13.539 -21.273 1.00 14.29 C ATOM 1374 CD1 LEU B 35 0.490 -14.049 -20.029 1.00 18.23 C ATOM 1375 CD2 LEU B 35 -1.512 -14.355 -21.592 1.00 17.18 C ATOM 1376 N THR B 36 -3.020 -9.965 -21.518 1.00 10.92 N ATOM 1377 CA THR B 36 -3.723 -8.792 -21.051 1.00 10.65 C ATOM 1378 C THR B 36 -4.222 -9.099 -19.636 1.00 10.21 C ATOM 1379 O THR B 36 -4.207 -10.278 -19.219 1.00 8.40 O ATOM 1380 CB THR B 36 -4.905 -8.437 -21.993 1.00 11.22 C ATOM 1381 OG1 THR B 36 -5.866 -9.508 -22.003 1.00 15.31 O ATOM 1382 CG2 THR B 36 -4.394 -8.149 -23.429 1.00 15.62 C ATOM 1383 N PRO B 37 -4.637 -8.064 -18.888 1.00 9.16 N ATOM 1384 CA PRO B 37 -5.202 -8.394 -17.562 1.00 9.83 C ATOM 1385 C PRO B 37 -6.338 -9.430 -17.572 1.00 10.67 C ATOM 1386 O PRO B 37 -6.319 -10.338 -16.742 1.00 12.09 O ATOM 1387 CB PRO B 37 -5.626 -7.038 -17.004 1.00 10.30 C ATOM 1388 CG PRO B 37 -4.674 -6.049 -17.701 1.00 8.85 C ATOM 1389 CD PRO B 37 -4.557 -6.615 -19.102 1.00 9.34 C ATOM 1390 N PRO B 38 -7.269 -9.350 -18.514 1.00 11.07 N ATOM 1391 CA PRO B 38 -8.281 -10.444 -18.597 1.00 11.34 C ATOM 1392 C PRO B 38 -7.712 -11.857 -18.759 1.00 11.65 C ATOM 1393 O PRO B 38 -8.218 -12.806 -18.115 1.00 12.01 O ATOM 1394 CB PRO B 38 -9.120 -10.056 -19.814 1.00 12.57 C ATOM 1395 CG PRO B 38 -8.935 -8.579 -19.939 1.00 13.88 C ATOM 1396 CD PRO B 38 -7.530 -8.287 -19.498 1.00 11.56 C ATOM 1397 N ASP B 39 -6.679 -12.013 -19.589 1.00 11.09 N ATOM 1398 CA ASP B 39 -5.993 -13.292 -19.743 1.00 11.06 C ATOM 1399 C ASP B 39 -5.431 -13.792 -18.428 1.00 11.14 C ATOM 1400 O ASP B 39 -5.644 -14.963 -18.085 1.00 11.42 O ATOM 1401 CB ASP B 39 -4.840 -13.243 -20.760 1.00 11.23 C ATOM 1402 CG ASP B 39 -5.272 -12.826 -22.127 1.00 14.75 C ATOM 1403 OD1 ASP B 39 -6.342 -13.271 -22.590 1.00 17.73 O ATOM 1404 OD2 ASP B 39 -4.545 -11.995 -22.736 1.00 16.09 O ATOM 1405 N VAL B 40 -4.725 -12.923 -17.707 1.00 9.49 N ATOM 1406 CA VAL B 40 -4.113 -13.247 -16.433 1.00 11.42 C ATOM 1407 C VAL B 40 -5.167 -13.660 -15.418 1.00 11.41 C ATOM 1408 O VAL B 40 -5.009 -14.675 -14.748 1.00 12.11 O ATOM 1409 CB VAL B 40 -3.228 -12.064 -15.935 1.00 11.42 C ATOM 1410 CG1 VAL B 40 -2.718 -12.285 -14.517 1.00 14.40 C ATOM 1411 CG2 VAL B 40 -2.061 -11.925 -16.872 1.00 13.82 C ATOM 1412 N HIS B 41 -6.283 -12.936 -15.401 1.00 11.09 N ATOM 1413 CA HIS B 41 -7.377 -13.254 -14.496 1.00 12.29 C ATOM 1414 C HIS B 41 -7.980 -14.609 -14.795 1.00 11.77 C ATOM 1415 O HIS B 41 -8.279 -15.373 -13.854 1.00 11.86 O ATOM 1416 CB HIS B 41 -8.439 -12.147 -14.541 1.00 13.25 C ATOM 1417 CG HIS B 41 -8.064 -10.927 -13.750 1.00 17.56 C ATOM 1418 ND1 HIS B 41 -7.729 -10.994 -12.415 1.00 22.44 N ATOM 1419 CD2 HIS B 41 -8.033 -9.612 -14.080 1.00 19.85 C ATOM 1420 CE1 HIS B 41 -7.480 -9.778 -11.965 1.00 22.98 C ATOM 1421 NE2 HIS B 41 -7.636 -8.923 -12.962 1.00 21.20 N ATOM 1422 N VAL B 42 -8.215 -14.903 -16.072 1.00 11.80 N ATOM 1423 CA VAL B 42 -8.793 -16.193 -16.459 1.00 11.00 C ATOM 1424 C VAL B 42 -7.874 -17.352 -16.061 1.00 10.91 C ATOM 1425 O VAL B 42 -8.342 -18.349 -15.456 1.00 9.69 O ATOM 1426 CB VAL B 42 -9.108 -16.243 -17.949 1.00 11.97 C ATOM 1427 CG1 VAL B 42 -9.403 -17.691 -18.350 1.00 12.88 C ATOM 1428 CG2 VAL B 42 -10.323 -15.344 -18.263 1.00 10.55 C ATOM 1429 N LEU B 43 -6.566 -17.232 -16.352 1.00 9.58 N ATOM 1430 CA LEU B 43 -5.638 -18.284 -15.973 1.00 10.47 C ATOM 1431 C LEU B 43 -5.650 -18.512 -14.458 1.00 9.90 C ATOM 1432 O LEU B 43 -5.653 -19.668 -13.984 1.00 9.17 O ATOM 1433 CB LEU B 43 -4.222 -17.990 -16.462 1.00 10.35 C ATOM 1434 CG LEU B 43 -4.042 -17.956 -17.986 1.00 11.04 C ATOM 1435 CD1 LEU B 43 -2.588 -17.644 -18.335 1.00 12.30 C ATOM 1436 CD2 LEU B 43 -4.474 -19.225 -18.659 1.00 11.08 C ATOM 1437 N LYS B 44 -5.698 -17.412 -13.704 1.00 10.21 N ATOM 1438 CA LYS B 44 -5.713 -17.501 -12.238 1.00 10.70 C ATOM 1439 C LYS B 44 -6.937 -18.239 -11.690 1.00 10.34 C ATOM 1440 O LYS B 44 -6.818 -19.121 -10.812 1.00 10.59 O ATOM 1441 CB LYS B 44 -5.584 -16.113 -11.606 1.00 10.38 C ATOM 1442 CG LYS B 44 -5.621 -16.111 -10.075 1.00 10.92 C ATOM 1443 CD LYS B 44 -5.411 -14.716 -9.539 1.00 13.53 C ATOM 1444 CE LYS B 44 -5.538 -14.668 -8.025 1.00 15.33 C ATOM 1445 NZ LYS B 44 -4.236 -15.003 -7.387 1.00 19.51 N ATOM 1446 N LEU B 45 -8.107 -17.927 -12.205 1.00 10.37 N ATOM 1447 CA LEU B 45 -9.342 -18.616 -11.764 1.00 10.86 C ATOM 1448 C LEU B 45 -9.339 -20.102 -12.096 1.00 10.26 C ATOM 1449 O LEU B 45 -9.756 -20.918 -11.297 1.00 9.57 O ATOM 1450 CB LEU B 45 -10.561 -17.942 -12.378 1.00 11.42 C ATOM 1451 CG LEU B 45 -10.804 -16.509 -11.931 1.00 13.19 C ATOM 1452 CD1 LEU B 45 -11.919 -15.871 -12.759 1.00 15.08 C ATOM 1453 CD2 LEU B 45 -11.137 -16.526 -10.430 1.00 14.76 C ATOM 1454 N ILE B 46 -8.867 -20.457 -13.286 1.00 11.18 N ATOM 1455 CA ILE B 46 -8.809 -21.847 -13.689 1.00 10.70 C ATOM 1456 C ILE B 46 -7.806 -22.624 -12.833 1.00 10.35 C ATOM 1457 O ILE B 46 -8.026 -23.796 -12.480 1.00 10.44 O ATOM 1458 CB ILE B 46 -8.495 -21.995 -15.210 1.00 10.55 C ATOM 1459 CG1 ILE B 46 -9.624 -21.370 -16.076 1.00 11.73 C ATOM 1460 CG2 ILE B 46 -8.319 -23.506 -15.557 1.00 10.78 C ATOM 1461 CD1 ILE B 46 -9.300 -21.234 -17.557 1.00 10.37 C ATOM 1462 N ASP B 47 -6.696 -21.999 -12.480 1.00 9.77 N ATOM 1463 CA ASP B 47 -5.745 -22.674 -11.610 1.00 10.94 C ATOM 1464 C ASP B 47 -6.279 -22.835 -10.201 1.00 11.00 C ATOM 1465 O ASP B 47 -6.108 -23.889 -9.581 1.00 10.44 O ATOM 1466 CB ASP B 47 -4.428 -21.942 -11.558 1.00 10.82 C ATOM 1467 CG ASP B 47 -3.419 -22.659 -10.687 1.00 11.11 C ATOM 1468 OD1 ASP B 47 -3.170 -23.864 -10.902 1.00 13.10 O ATOM 1469 OD2 ASP B 47 -2.930 -22.027 -9.746 1.00 14.47 O ATOM 1470 N GLU B 48 -6.948 -21.801 -9.720 1.00 12.13 N ATOM 1471 CA GLU B 48 -7.486 -21.778 -8.346 1.00 13.97 C ATOM 1472 C GLU B 48 -8.680 -22.699 -8.164 1.00 14.24 C ATOM 1473 O GLU B 48 -8.892 -23.275 -7.073 1.00 14.29 O ATOM 1474 CB GLU B 48 -7.831 -20.337 -7.960 1.00 14.61 C ATOM 1475 CG GLU B 48 -6.571 -19.513 -7.854 1.00 17.76 C ATOM 1476 CD GLU B 48 -6.758 -18.103 -7.319 1.00 18.85 C ATOM 1477 OE1 GLU B 48 -7.842 -17.484 -7.545 1.00 26.61 O ATOM 1478 OE2 GLU B 48 -5.767 -17.623 -6.720 1.00 22.07 O ATOM 1479 N GLN B 49 -9.441 -22.868 -9.234 1.00 13.56 N ATOM 1480 CA GLN B 49 -10.605 -23.724 -9.227 1.00 14.95 C ATOM 1481 C GLN B 49 -10.542 -24.764 -10.348 1.00 14.30 C ATOM 1482 O GLN B 49 -11.249 -24.658 -11.329 1.00 14.94 O ATOM 1483 CB GLN B 49 -11.829 -22.836 -9.358 1.00 14.38 C ATOM 1484 CG GLN B 49 -12.077 -21.966 -8.171 1.00 16.45 C ATOM 1485 CD GLN B 49 -13.126 -20.899 -8.471 1.00 18.59 C ATOM 1486 OE1 GLN B 49 -14.302 -21.214 -8.724 1.00 19.19 O ATOM 1487 NE2 GLN B 49 -12.702 -19.635 -8.464 1.00 21.57 N ATOM 1488 N ARG B 50 -9.673 -25.764 -10.217 1.00 15.45 N ATOM 1489 CA ARG B 50 -9.497 -26.786 -11.291 1.00 15.34 C ATOM 1490 C ARG B 50 -10.820 -27.431 -11.694 1.00 14.20 C ATOM 1491 O ARG B 50 -11.645 -27.710 -10.828 1.00 12.97 O ATOM 1492 CB ARG B 50 -8.523 -27.885 -10.857 1.00 16.90 C ATOM 1493 CG ARG B 50 -7.996 -28.764 -12.039 1.00 17.86 C ATOM 1494 CD ARG B 50 -7.028 -29.862 -11.557 1.00 19.03 C ATOM 1495 NE ARG B 50 -6.485 -30.685 -12.657 1.00 21.50 N ATOM 1496 CZ ARG B 50 -5.568 -30.283 -13.546 1.00 21.64 C ATOM 1497 NH1 ARG B 50 -5.155 -31.117 -14.504 1.00 22.11 N ATOM 1498 NH2 ARG B 50 -5.044 -29.071 -13.485 1.00 22.00 N ATOM 1499 N GLY B 51 -11.037 -27.624 -12.994 1.00 13.60 N ATOM 1500 CA GLY B 51 -12.319 -28.138 -13.522 1.00 14.15 C ATOM 1501 C GLY B 51 -13.490 -27.165 -13.528 1.00 13.43 C ATOM 1502 O GLY B 51 -14.661 -27.556 -13.694 1.00 11.47 O ATOM 1503 N LEU B 52 -13.172 -25.885 -13.348 1.00 14.66 N ATOM 1504 CA LEU B 52 -14.136 -24.787 -13.411 1.00 14.59 C ATOM 1505 C LEU B 52 -15.080 -24.951 -14.584 1.00 14.69 C ATOM 1506 O LEU B 52 -14.655 -25.177 -15.721 1.00 13.83 O ATOM 1507 CB LEU B 52 -13.348 -23.440 -13.593 1.00 15.59 C ATOM 1508 CG LEU B 52 -14.063 -22.099 -13.417 1.00 14.99 C ATOM 1509 CD1 LEU B 52 -14.777 -22.001 -12.097 1.00 17.23 C ATOM 1510 CD2 LEU B 52 -13.029 -20.948 -13.519 1.00 15.62 C ATOM 1511 N ASN B 53 -16.371 -24.798 -14.316 1.00 13.84 N ATOM 1512 CA ASN B 53 -17.374 -24.782 -15.349 1.00 13.89 C ATOM 1513 C ASN B 53 -17.379 -23.424 -16.037 1.00 13.24 C ATOM 1514 O ASN B 53 -17.060 -22.375 -15.443 1.00 11.85 O ATOM 1515 CB ASN B 53 -18.780 -25.028 -14.758 1.00 14.37 C ATOM 1516 CG ASN B 53 -18.934 -26.396 -14.083 1.00 16.55 C ATOM 1517 OD1 ASN B 53 -19.689 -26.540 -13.109 1.00 18.55 O ATOM 1518 ND2 ASN B 53 -18.253 -27.406 -14.614 1.00 18.79 N ATOM 1519 N LEU B 54 -17.785 -23.416 -17.297 1.00 13.54 N ATOM 1520 CA LEU B 54 -17.787 -22.168 -18.066 1.00 13.49 C ATOM 1521 C LEU B 54 -18.679 -21.084 -17.464 1.00 13.83 C ATOM 1522 O LEU B 54 -18.325 -19.901 -17.477 1.00 14.13 O ATOM 1523 CB LEU B 54 -18.187 -22.449 -19.533 1.00 13.82 C ATOM 1524 CG LEU B 54 -17.959 -21.337 -20.549 1.00 13.10 C ATOM 1525 CD1 LEU B 54 -16.466 -20.821 -20.583 1.00 14.47 C ATOM 1526 CD2 LEU B 54 -18.418 -21.792 -21.916 1.00 13.70 C ATOM 1527 N GLN B 55 -19.850 -21.471 -16.947 1.00 13.90 N ATOM 1528 CA GLN B 55 -20.750 -20.486 -16.371 1.00 14.43 C ATOM 1529 C GLN B 55 -20.210 -19.955 -15.063 1.00 14.43 C ATOM 1530 O GLN B 55 -20.483 -18.818 -14.699 1.00 15.21 O ATOM 1531 CB GLN B 55 -22.158 -21.048 -16.173 1.00 14.65 C ATOM 1532 CG GLN B 55 -22.300 -22.171 -15.135 1.00 15.31 C ATOM 1533 CD GLN B 55 -22.067 -23.549 -15.721 1.00 14.56 C ATOM 1534 OE1 GLN B 55 -21.151 -23.743 -16.524 1.00 19.30 O ATOM 1535 NE2 GLN B 55 -22.900 -24.513 -15.327 1.00 13.50 N ATOM 1536 N ASP B 56 -19.470 -20.785 -14.335 1.00 14.64 N ATOM 1537 CA ASP B 56 -18.869 -20.333 -13.085 1.00 14.72 C ATOM 1538 C ASP B 56 -17.692 -19.390 -13.367 1.00 14.58 C ATOM 1539 O ASP B 56 -17.445 -18.444 -12.609 1.00 14.04 O ATOM 1540 CB ASP B 56 -18.503 -21.532 -12.189 1.00 14.80 C ATOM 1541 CG ASP B 56 -19.733 -22.410 -11.856 1.00 16.57 C ATOM 1542 OD1 ASP B 56 -20.888 -21.962 -12.041 1.00 18.13 O ATOM 1543 OD2 ASP B 56 -19.569 -23.551 -11.395 1.00 16.57 O ATOM 1544 N LEU B 57 -16.967 -19.616 -14.461 1.00 13.82 N ATOM 1545 CA LEU B 57 -15.984 -18.636 -14.891 1.00 14.78 C ATOM 1546 C LEU B 57 -16.649 -17.323 -15.279 1.00 15.05 C ATOM 1547 O LEU B 57 -16.170 -16.254 -14.893 1.00 16.96 O ATOM 1548 CB LEU B 57 -15.177 -19.147 -16.073 1.00 13.97 C ATOM 1549 CG LEU B 57 -14.115 -18.171 -16.590 1.00 14.99 C ATOM 1550 CD1 LEU B 57 -13.013 -17.921 -15.533 1.00 13.02 C ATOM 1551 CD2 LEU B 57 -13.538 -18.725 -17.886 1.00 12.96 C ATOM 1552 N GLY B 58 -17.712 -17.403 -16.087 1.00 16.21 N ATOM 1553 CA GLY B 58 -18.514 -16.236 -16.440 1.00 17.21 C ATOM 1554 C GLY B 58 -18.908 -15.385 -15.237 1.00 18.49 C ATOM 1555 O GLY B 58 -18.793 -14.158 -15.284 1.00 18.91 O ATOM 1556 N ARG B 59 -19.314 -16.036 -14.145 1.00 19.14 N ATOM 1557 CA ARG B 59 -19.786 -15.353 -12.920 1.00 19.96 C ATOM 1558 C ARG B 59 -18.691 -14.556 -12.217 1.00 20.03 C ATOM 1559 O ARG B 59 -18.939 -13.481 -11.654 1.00 19.79 O ATOM 1560 CB ARG B 59 -20.336 -16.396 -11.923 1.00 19.97 C ATOM 1561 CG ARG B 59 -20.809 -15.832 -10.564 1.00 21.36 C ATOM 1562 CD ARG B 59 -21.198 -16.930 -9.563 1.00 23.36 C ATOM 1563 NE ARG B 59 -20.043 -17.703 -9.080 1.00 26.76 N ATOM 1564 CZ ARG B 59 -19.131 -17.279 -8.191 1.00 27.77 C ATOM 1565 NH1 ARG B 59 -19.200 -16.056 -7.654 1.00 27.86 N ATOM 1566 NH2 ARG B 59 -18.118 -18.085 -7.851 1.00 27.95 N ATOM 1567 N GLN B 60 -17.492 -15.113 -12.216 1.00 19.97 N ATOM 1568 CA GLN B 60 -16.335 -14.521 -11.543 1.00 20.74 C ATOM 1569 C GLN B 60 -15.545 -13.559 -12.433 1.00 20.91 C ATOM 1570 O GLN B 60 -14.582 -12.934 -11.964 1.00 21.87 O ATOM 1571 CB GLN B 60 -15.414 -15.635 -11.050 1.00 20.74 C ATOM 1572 CG GLN B 60 -16.118 -16.672 -10.192 1.00 20.62 C ATOM 1573 CD GLN B 60 -15.211 -17.820 -9.778 1.00 22.77 C ATOM 1574 OE1 GLN B 60 -14.304 -17.644 -8.964 1.00 29.13 O ATOM 1575 NE2 GLN B 60 -15.483 -19.003 -10.293 1.00 20.66 N ATOM 1576 N MET B 61 -15.923 -13.462 -13.708 1.00 20.81 N ATOM 1577 CA MET B 61 -15.344 -12.474 -14.622 1.00 21.09 C ATOM 1578 C MET B 61 -16.255 -11.254 -14.684 1.00 21.02 C ATOM 1579 O MET B 61 -16.124 -10.332 -13.887 1.00 21.38 O ATOM 1580 CB MET B 61 -15.187 -13.046 -16.030 1.00 21.00 C ATOM 1581 CG MET B 61 -14.088 -14.081 -16.219 1.00 21.56 C ATOM 1582 SD MET B 61 -12.408 -13.503 -15.884 1.00 22.41 S ATOM 1583 CE MET B 61 -12.119 -12.476 -17.350 1.00 21.34 C ATOM 1584 N ILE B 68 -16.904 -14.508 -23.011 1.00 12.23 N ATOM 1585 CA ILE B 68 -15.977 -15.480 -22.403 1.00 12.63 C ATOM 1586 C ILE B 68 -15.691 -16.700 -23.285 1.00 12.44 C ATOM 1587 O ILE B 68 -14.557 -17.239 -23.264 1.00 11.66 O ATOM 1588 CB ILE B 68 -16.479 -15.902 -20.984 1.00 13.60 C ATOM 1589 CG1 ILE B 68 -15.410 -16.695 -20.244 1.00 14.80 C ATOM 1590 CG2 ILE B 68 -17.799 -16.632 -21.058 1.00 13.03 C ATOM 1591 CD1 ILE B 68 -14.080 -15.913 -20.101 1.00 18.79 C ATOM 1592 N THR B 69 -16.688 -17.175 -24.037 1.00 12.39 N ATOM 1593 CA THR B 69 -16.477 -18.361 -24.916 1.00 13.01 C ATOM 1594 C THR B 69 -15.365 -18.100 -25.968 1.00 13.49 C ATOM 1595 O THR B 69 -14.577 -19.005 -26.287 1.00 14.29 O ATOM 1596 CB THR B 69 -17.788 -18.808 -25.622 1.00 12.73 C ATOM 1597 OG1 THR B 69 -18.721 -19.331 -24.655 1.00 12.15 O ATOM 1598 CG2 THR B 69 -17.499 -19.880 -26.672 1.00 13.22 C ATOM 1599 N ARG B 70 -15.299 -16.860 -26.464 1.00 14.30 N ATOM 1600 CA ARG B 70 -14.300 -16.409 -27.456 1.00 14.94 C ATOM 1601 C ARG B 70 -12.910 -16.394 -26.845 1.00 14.61 C ATOM 1602 O ARG B 70 -11.922 -16.835 -27.466 1.00 13.80 O ATOM 1603 CB ARG B 70 -14.657 -14.997 -27.960 1.00 15.62 C ATOM 1604 CG ARG B 70 -13.854 -14.504 -29.154 1.00 16.67 C ATOM 1605 CD ARG B 70 -14.518 -13.285 -29.767 1.00 19.31 C ATOM 1606 NE ARG B 70 -13.664 -12.527 -30.674 1.00 23.71 N ATOM 1607 CZ ARG B 70 -12.592 -11.816 -30.307 1.00 28.10 C ATOM 1608 NH1 ARG B 70 -11.896 -11.127 -31.218 1.00 29.07 N ATOM 1609 NH2 ARG B 70 -12.200 -11.790 -29.042 1.00 30.39 N ATOM 1610 N LYS B 71 -12.847 -15.876 -25.619 1.00 14.43 N ATOM 1611 CA LYS B 71 -11.614 -15.818 -24.863 1.00 13.72 C ATOM 1612 C LYS B 71 -11.090 -17.236 -24.565 1.00 12.38 C ATOM 1613 O LYS B 71 -9.907 -17.499 -24.716 1.00 12.32 O ATOM 1614 CB LYS B 71 -11.847 -15.046 -23.564 1.00 13.83 C ATOM 1615 CG LYS B 71 -10.641 -15.039 -22.620 1.00 14.74 C ATOM 1616 CD LYS B 71 -9.397 -14.453 -23.248 1.00 17.14 C ATOM 1617 CE LYS B 71 -9.540 -13.029 -23.636 1.00 17.50 C ATOM 1618 NZ LYS B 71 -8.279 -12.447 -24.257 1.00 17.98 N ATOM 1619 N ILE B 72 -11.959 -18.156 -24.140 1.00 11.72 N ATOM 1620 CA ILE B 72 -11.498 -19.534 -23.933 1.00 12.01 C ATOM 1621 C ILE B 72 -11.012 -20.172 -25.234 1.00 12.22 C ATOM 1622 O ILE B 72 -10.008 -20.902 -25.252 1.00 13.02 O ATOM 1623 CB ILE B 72 -12.582 -20.379 -23.291 1.00 12.10 C ATOM 1624 CG1 ILE B 72 -12.774 -19.900 -21.852 1.00 10.71 C ATOM 1625 CG2 ILE B 72 -12.179 -21.839 -23.240 1.00 11.45 C ATOM 1626 CD1 ILE B 72 -11.543 -20.021 -21.003 1.00 11.03 C ATOM 1627 N ARG B 73 -11.702 -19.871 -26.318 1.00 11.76 N ATOM 1628 CA ARG B 73 -11.255 -20.359 -27.639 1.00 12.26 C ATOM 1629 C ARG B 73 -9.819 -19.913 -27.954 1.00 11.76 C ATOM 1630 O ARG B 73 -9.007 -20.717 -28.410 1.00 11.40 O ATOM 1631 CB ARG B 73 -12.238 -19.933 -28.718 1.00 11.76 C ATOM 1632 CG ARG B 73 -11.849 -20.331 -30.136 1.00 11.88 C ATOM 1633 CD ARG B 73 -12.942 -19.973 -31.086 1.00 12.89 C ATOM 1634 NE ARG B 73 -12.644 -20.321 -32.469 1.00 12.60 N ATOM 1635 CZ ARG B 73 -12.418 -19.442 -33.448 1.00 14.99 C ATOM 1636 NH1 ARG B 73 -12.386 -18.123 -33.204 1.00 15.13 N ATOM 1637 NH2 ARG B 73 -12.209 -19.881 -34.675 1.00 10.39 N ATOM 1638 N GLU B 74 -9.514 -18.633 -27.719 1.00 12.90 N ATOM 1639 CA AGLU B 74 -8.170 -18.081 -27.896 0.50 12.75 C ATOM 1640 CA BGLU B 74 -8.162 -18.113 -27.922 0.50 12.90 C ATOM 1641 C GLU B 74 -7.155 -18.814 -27.028 1.00 13.33 C ATOM 1642 O GLU B 74 -6.111 -19.266 -27.508 1.00 13.32 O ATOM 1643 CB AGLU B 74 -8.163 -16.593 -27.519 0.50 13.31 C ATOM 1644 CB BGLU B 74 -8.109 -16.611 -27.661 0.50 13.40 C ATOM 1645 CG AGLU B 74 -9.041 -15.711 -28.389 0.50 12.53 C ATOM 1646 CG BGLU B 74 -6.725 -16.090 -27.235 0.50 12.98 C ATOM 1647 CD AGLU B 74 -9.322 -14.324 -27.812 0.50 13.84 C ATOM 1648 CD BGLU B 74 -6.791 -14.664 -26.692 0.50 14.92 C ATOM 1649 OE1AGLU B 74 -8.793 -13.955 -26.740 0.50 14.49 O ATOM 1650 OE1BGLU B 74 -7.739 -13.934 -27.045 0.50 14.43 O ATOM 1651 OE2AGLU B 74 -10.078 -13.580 -28.466 0.50 14.03 O ATOM 1652 OE2BGLU B 74 -5.872 -14.280 -25.934 0.50 17.49 O ATOM 1653 N LEU B 75 -7.450 -18.884 -25.732 1.00 12.38 N ATOM 1654 CA LEU B 75 -6.552 -19.545 -24.771 1.00 12.07 C ATOM 1655 C LEU B 75 -6.323 -21.024 -25.043 1.00 11.91 C ATOM 1656 O LEU B 75 -5.187 -21.537 -24.837 1.00 12.15 O ATOM 1657 CB LEU B 75 -7.041 -19.299 -23.350 1.00 12.12 C ATOM 1658 CG LEU B 75 -6.959 -17.811 -22.889 1.00 10.54 C ATOM 1659 CD1 LEU B 75 -7.542 -17.761 -21.447 1.00 9.94 C ATOM 1660 CD2 LEU B 75 -5.531 -17.201 -22.959 1.00 12.10 C ATOM 1661 N GLU B 76 -7.357 -21.720 -25.505 1.00 12.72 N ATOM 1662 CA GLU B 76 -7.221 -23.109 -25.948 1.00 12.78 C ATOM 1663 C GLU B 76 -6.294 -23.232 -27.188 1.00 13.45 C ATOM 1664 O GLU B 76 -5.435 -24.114 -27.285 1.00 12.38 O ATOM 1665 CB GLU B 76 -8.605 -23.698 -26.217 1.00 13.97 C ATOM 1666 CG GLU B 76 -8.594 -25.146 -26.625 1.00 14.60 C ATOM 1667 CD GLU B 76 -9.993 -25.787 -26.629 1.00 17.75 C ATOM 1668 OE1 GLU B 76 -10.982 -25.098 -26.293 1.00 22.81 O ATOM 1669 OE2 GLU B 76 -10.055 -26.991 -26.928 1.00 24.64 O ATOM 1670 N GLY B 77 -6.486 -22.345 -28.142 1.00 12.28 N ATOM 1671 CA GLY B 77 -5.651 -22.338 -29.369 1.00 12.41 C ATOM 1672 C GLY B 77 -4.176 -22.067 -29.093 1.00 12.25 C ATOM 1673 O GLY B 77 -3.300 -22.632 -29.762 1.00 12.75 O ATOM 1674 N ARG B 78 -3.905 -21.244 -28.079 1.00 12.01 N ATOM 1675 CA ARG B 78 -2.540 -20.959 -27.603 1.00 12.97 C ATOM 1676 C ARG B 78 -1.965 -22.041 -26.661 1.00 13.88 C ATOM 1677 O ARG B 78 -0.884 -21.866 -26.076 1.00 12.77 O ATOM 1678 CB ARG B 78 -2.533 -19.610 -26.906 1.00 12.44 C ATOM 1679 CG ARG B 78 -2.825 -18.452 -27.883 1.00 13.94 C ATOM 1680 CD ARG B 78 -3.029 -17.181 -27.145 1.00 14.54 C ATOM 1681 NE ARG B 78 -1.810 -16.804 -26.451 1.00 15.10 N ATOM 1682 CZ ARG B 78 -1.639 -15.677 -25.769 1.00 14.79 C ATOM 1683 NH1 ARG B 78 -2.606 -14.771 -25.699 1.00 17.45 N ATOM 1684 NH2 ARG B 78 -0.477 -15.457 -25.163 1.00 13.71 N ATOM 1685 N ASN B 79 -2.743 -23.111 -26.438 1.00 15.42 N ATOM 1686 CA ASN B 79 -2.315 -24.219 -25.588 1.00 15.33 C ATOM 1687 C ASN B 79 -2.109 -23.834 -24.125 1.00 15.75 C ATOM 1688 O ASN B 79 -1.272 -24.415 -23.424 1.00 17.57 O ATOM 1689 CB ASN B 79 -1.070 -24.920 -26.145 1.00 16.91 C ATOM 1690 CG ASN B 79 -0.804 -26.255 -25.473 1.00 16.68 C ATOM 1691 OD1 ASN B 79 -1.710 -27.073 -25.313 1.00 17.93 O ATOM 1692 ND2 ASN B 79 0.441 -26.459 -25.035 1.00 21.67 N ATOM 1693 N LEU B 80 -2.893 -22.876 -23.653 1.00 15.82 N ATOM 1694 CA LEU B 80 -2.851 -22.455 -22.256 1.00 15.23 C ATOM 1695 C LEU B 80 -3.975 -23.103 -21.421 1.00 14.95 C ATOM 1696 O LEU B 80 -3.813 -23.313 -20.207 1.00 15.12 O ATOM 1697 CB LEU B 80 -2.930 -20.930 -22.141 1.00 14.25 C ATOM 1698 CG LEU B 80 -1.821 -20.200 -22.907 1.00 15.31 C ATOM 1699 CD1 LEU B 80 -1.892 -18.699 -22.663 1.00 15.79 C ATOM 1700 CD2 LEU B 80 -0.452 -20.786 -22.562 1.00 16.70 C ATOM 1701 N VAL B 81 -5.090 -23.392 -22.079 1.00 14.68 N ATOM 1702 CA VAL B 81 -6.255 -23.985 -21.442 1.00 14.57 C ATOM 1703 C VAL B 81 -6.689 -25.248 -22.223 1.00 14.43 C ATOM 1704 O VAL B 81 -6.566 -25.304 -23.467 1.00 14.57 O ATOM 1705 CB VAL B 81 -7.416 -22.977 -21.400 1.00 14.12 C ATOM 1706 CG1 VAL B 81 -8.746 -23.678 -20.915 1.00 15.35 C ATOM 1707 CG2 VAL B 81 -7.052 -21.716 -20.500 1.00 12.52 C ATOM 1708 N ARG B 82 -7.179 -26.248 -21.484 1.00 15.39 N ATOM 1709 CA ARG B 82 -7.765 -27.446 -22.089 1.00 15.87 C ATOM 1710 C ARG B 82 -9.198 -27.568 -21.582 1.00 15.49 C ATOM 1711 O ARG B 82 -9.452 -27.398 -20.398 1.00 16.60 O ATOM 1712 CB ARG B 82 -6.988 -28.680 -21.718 1.00 14.63 C ATOM 1713 CG ARG B 82 -7.408 -29.934 -22.456 1.00 16.32 C ATOM 1714 CD ARG B 82 -6.640 -31.183 -22.026 1.00 17.52 C ATOM 1715 NE ARG B 82 -6.761 -31.475 -20.596 1.00 19.43 N ATOM 1716 CZ ARG B 82 -5.819 -31.210 -19.701 1.00 18.22 C ATOM 1717 NH1 ARG B 82 -4.664 -30.678 -20.090 1.00 19.11 N ATOM 1718 NH2 ARG B 82 -6.022 -31.516 -18.428 1.00 20.11 N ATOM 1719 N ARG B 83 -10.103 -27.861 -22.499 1.00 16.06 N ATOM 1720 CA ARG B 83 -11.516 -28.093 -22.173 1.00 16.85 C ATOM 1721 C ARG B 83 -11.737 -29.588 -22.134 1.00 16.31 C ATOM 1722 O ARG B 83 -11.337 -30.287 -23.070 1.00 16.99 O ATOM 1723 CB ARG B 83 -12.414 -27.533 -23.281 1.00 17.06 C ATOM 1724 CG ARG B 83 -12.438 -26.031 -23.411 1.00 19.09 C ATOM 1725 CD ARG B 83 -13.593 -25.580 -24.330 1.00 18.94 C ATOM 1726 NE ARG B 83 -13.511 -26.196 -25.657 1.00 19.12 N ATOM 1727 CZ ARG B 83 -14.559 -26.476 -26.435 1.00 22.82 C ATOM 1728 NH1 ARG B 83 -15.812 -26.165 -26.072 1.00 22.65 N ATOM 1729 NH2 ARG B 83 -14.359 -27.067 -27.610 1.00 24.11 N ATOM 1730 N GLU B 84 -12.413 -30.079 -21.097 1.00 16.06 N ATOM 1731 CA GLU B 84 -12.787 -31.498 -21.030 1.00 17.01 C ATOM 1732 C GLU B 84 -14.279 -31.580 -20.850 1.00 16.42 C ATOM 1733 O GLU B 84 -14.865 -30.702 -20.235 1.00 14.89 O ATOM 1734 CB GLU B 84 -12.055 -32.202 -19.892 1.00 17.09 C ATOM 1735 CG GLU B 84 -10.545 -32.115 -20.050 1.00 17.57 C ATOM 1736 CD GLU B 84 -9.772 -32.976 -19.078 1.00 20.12 C ATOM 1737 OE1 GLU B 84 -10.389 -33.673 -18.273 1.00 24.33 O ATOM 1738 OE2 GLU B 84 -8.533 -32.926 -19.123 1.00 24.86 O ATOM 1739 N ARG B 85 -14.901 -32.620 -21.406 1.00 16.76 N ATOM 1740 CA ARG B 85 -16.341 -32.771 -21.240 1.00 17.74 C ATOM 1741 C ARG B 85 -16.681 -33.009 -19.780 1.00 17.49 C ATOM 1742 O ARG B 85 -16.046 -33.802 -19.084 1.00 17.15 O ATOM 1743 CB ARG B 85 -16.911 -33.911 -22.075 1.00 17.35 C ATOM 1744 CG ARG B 85 -16.994 -33.563 -23.538 1.00 19.12 C ATOM 1745 CD ARG B 85 -17.484 -34.694 -24.380 1.00 21.53 C ATOM 1746 NE ARG B 85 -17.092 -34.491 -25.778 1.00 25.78 N ATOM 1747 CZ ARG B 85 -17.773 -33.777 -26.680 1.00 26.96 C ATOM 1748 NH1 ARG B 85 -18.908 -33.157 -26.365 1.00 25.66 N ATOM 1749 NH2 ARG B 85 -17.307 -33.681 -27.922 1.00 27.56 N ATOM 1750 N ASN B 86 -17.743 -32.344 -19.359 1.00 17.63 N ATOM 1751 CA ASN B 86 -18.352 -32.577 -18.083 1.00 18.45 C ATOM 1752 C ASN B 86 -18.800 -34.052 -18.015 1.00 18.58 C ATOM 1753 O ASN B 86 -19.573 -34.479 -18.869 1.00 18.71 O ATOM 1754 CB ASN B 86 -19.548 -31.639 -17.992 1.00 18.16 C ATOM 1755 CG ASN B 86 -20.203 -31.652 -16.649 1.00 19.02 C ATOM 1756 OD1 ASN B 86 -20.669 -32.690 -16.185 1.00 18.75 O ATOM 1757 ND2 ASN B 86 -20.307 -30.477 -16.038 1.00 16.87 N ATOM 1758 N PRO B 87 -18.311 -34.824 -17.015 1.00 19.35 N ATOM 1759 CA PRO B 87 -18.642 -36.268 -16.926 1.00 20.33 C ATOM 1760 C PRO B 87 -20.118 -36.598 -16.867 1.00 21.13 C ATOM 1761 O PRO B 87 -20.494 -37.723 -17.207 1.00 21.35 O ATOM 1762 CB PRO B 87 -17.967 -36.714 -15.620 1.00 20.39 C ATOM 1763 CG PRO B 87 -16.869 -35.730 -15.422 1.00 20.17 C ATOM 1764 CD PRO B 87 -17.400 -34.428 -15.930 1.00 19.34 C ATOM 1765 N SER B 88 -20.943 -35.654 -16.416 1.00 21.50 N ATOM 1766 CA SER B 88 -22.380 -35.885 -16.312 1.00 22.33 C ATOM 1767 C SER B 88 -23.172 -35.252 -17.458 1.00 22.96 C ATOM 1768 O SER B 88 -24.303 -35.674 -17.734 1.00 23.30 O ATOM 1769 CB SER B 88 -22.888 -35.348 -14.977 1.00 22.53 C ATOM 1770 OG SER B 88 -22.471 -36.192 -13.931 1.00 23.09 O ATOM 1771 N ASP B 89 -22.581 -34.242 -18.099 1.00 23.23 N ATOM 1772 CA ASP B 89 -23.203 -33.482 -19.191 1.00 23.04 C ATOM 1773 C ASP B 89 -22.245 -33.418 -20.373 1.00 22.69 C ATOM 1774 O ASP B 89 -21.326 -32.600 -20.406 1.00 22.90 O ATOM 1775 CB ASP B 89 -23.537 -32.055 -18.734 1.00 23.61 C ATOM 1776 CG ASP B 89 -24.003 -31.153 -19.882 1.00 24.19 C ATOM 1777 OD1 ASP B 89 -24.531 -31.651 -20.908 1.00 27.15 O ATOM 1778 OD2 ASP B 89 -23.856 -29.924 -19.746 1.00 27.79 O ATOM 1779 N GLN B 90 -22.474 -34.271 -21.361 1.00 22.54 N ATOM 1780 CA GLN B 90 -21.536 -34.385 -22.474 1.00 22.35 C ATOM 1781 C GLN B 90 -21.524 -33.179 -23.424 1.00 22.00 C ATOM 1782 O GLN B 90 -20.605 -33.058 -24.223 1.00 22.28 O ATOM 1783 CB GLN B 90 -21.785 -35.688 -23.236 1.00 22.48 C ATOM 1784 CG GLN B 90 -21.514 -36.948 -22.399 1.00 23.20 C ATOM 1785 CD GLN B 90 -20.072 -37.061 -21.911 1.00 23.43 C ATOM 1786 OE1 GLN B 90 -19.267 -37.784 -22.492 1.00 23.27 O ATOM 1787 NE2 GLN B 90 -19.736 -36.331 -20.844 1.00 24.86 N ATOM 1788 N ARG B 91 -22.509 -32.286 -23.319 1.00 21.10 N ATOM 1789 CA ARG B 91 -22.579 -31.113 -24.193 1.00 20.59 C ATOM 1790 C ARG B 91 -21.815 -29.920 -23.651 1.00 19.96 C ATOM 1791 O ARG B 91 -21.569 -28.955 -24.390 1.00 20.30 O ATOM 1792 CB ARG B 91 -24.027 -30.696 -24.442 1.00 21.10 C ATOM 1793 CG ARG B 91 -24.941 -31.830 -24.833 1.00 22.34 C ATOM 1794 CD ARG B 91 -25.911 -31.405 -25.940 1.00 22.80 C ATOM 1795 NE ARG B 91 -26.991 -32.367 -26.133 1.00 24.41 N ATOM 1796 CZ ARG B 91 -26.869 -33.554 -26.735 1.00 26.09 C ATOM 1797 NH1 ARG B 91 -25.698 -33.974 -27.211 1.00 27.47 N ATOM 1798 NH2 ARG B 91 -27.933 -34.340 -26.848 1.00 25.33 N ATOM 1799 N SER B 92 -21.456 -29.955 -22.367 1.00 18.82 N ATOM 1800 CA ASER B 92 -20.704 -28.861 -21.766 0.50 18.07 C ATOM 1801 CA BSER B 92 -20.699 -28.866 -21.768 0.50 18.11 C ATOM 1802 C SER B 92 -19.276 -29.299 -21.460 1.00 17.59 C ATOM 1803 O SER B 92 -18.959 -30.512 -21.428 1.00 16.18 O ATOM 1804 CB ASER B 92 -21.393 -28.332 -20.501 0.50 18.08 C ATOM 1805 CB BSER B 92 -21.382 -28.363 -20.501 0.50 18.14 C ATOM 1806 OG ASER B 92 -21.531 -29.341 -19.517 0.50 17.51 O ATOM 1807 OG BSER B 92 -22.700 -27.953 -20.800 0.50 17.85 O ATOM 1808 N PHE B 93 -18.436 -28.299 -21.244 1.00 16.54 N ATOM 1809 CA PHE B 93 -17.016 -28.483 -21.003 1.00 16.08 C ATOM 1810 C PHE B 93 -16.576 -27.799 -19.709 1.00 15.45 C ATOM 1811 O PHE B 93 -17.023 -26.696 -19.405 1.00 16.10 O ATOM 1812 CB PHE B 93 -16.246 -27.913 -22.186 1.00 16.80 C ATOM 1813 CG PHE B 93 -16.403 -28.719 -23.446 1.00 17.57 C ATOM 1814 CD1 PHE B 93 -15.521 -29.750 -23.737 1.00 17.44 C ATOM 1815 CD2 PHE B 93 -17.430 -28.448 -24.337 1.00 18.33 C ATOM 1816 CE1 PHE B 93 -15.659 -30.504 -24.895 1.00 19.17 C ATOM 1817 CE2 PHE B 93 -17.588 -29.208 -25.502 1.00 18.60 C ATOM 1818 CZ PHE B 93 -16.696 -30.235 -25.778 1.00 18.19 C ATOM 1819 N GLN B 94 -15.744 -28.488 -18.934 1.00 12.91 N ATOM 1820 CA GLN B 94 -14.989 -27.909 -17.832 1.00 12.73 C ATOM 1821 C GLN B 94 -13.532 -27.471 -18.221 1.00 11.91 C ATOM 1822 O GLN B 94 -12.968 -27.967 -19.192 1.00 10.49 O ATOM 1823 CB GLN B 94 -14.925 -28.917 -16.717 1.00 13.00 C ATOM 1824 CG GLN B 94 -16.310 -29.289 -16.207 1.00 13.60 C ATOM 1825 CD GLN B 94 -16.267 -30.407 -15.200 1.00 13.90 C ATOM 1826 OE1 GLN B 94 -15.414 -31.306 -15.282 1.00 17.64 O ATOM 1827 NE2 GLN B 94 -17.174 -30.360 -14.233 1.00 17.94 N ATOM 1828 N LEU B 95 -12.952 -26.562 -17.449 1.00 10.74 N ATOM 1829 CA LEU B 95 -11.671 -25.913 -17.831 1.00 11.08 C ATOM 1830 C LEU B 95 -10.475 -26.288 -16.940 1.00 11.30 C ATOM 1831 O LEU B 95 -10.563 -26.354 -15.702 1.00 10.60 O ATOM 1832 CB LEU B 95 -11.844 -24.388 -17.793 1.00 9.96 C ATOM 1833 CG LEU B 95 -13.049 -23.804 -18.542 1.00 10.95 C ATOM 1834 CD1 LEU B 95 -13.111 -22.266 -18.403 1.00 9.97 C ATOM 1835 CD2 LEU B 95 -13.080 -24.157 -20.011 1.00 11.69 C ATOM 1836 N PHE B 96 -9.339 -26.495 -17.586 1.00 12.07 N ATOM 1837 CA PHE B 96 -8.114 -26.943 -16.939 1.00 12.61 C ATOM 1838 C PHE B 96 -6.961 -26.160 -17.579 1.00 13.12 C ATOM 1839 O PHE B 96 -6.998 -25.883 -18.790 1.00 12.76 O ATOM 1840 CB PHE B 96 -7.901 -28.461 -17.138 1.00 14.29 C ATOM 1841 CG PHE B 96 -9.001 -29.327 -16.590 1.00 13.58 C ATOM 1842 CD1 PHE B 96 -10.146 -29.600 -17.353 1.00 15.64 C ATOM 1843 CD2 PHE B 96 -8.899 -29.890 -15.330 1.00 17.64 C ATOM 1844 CE1 PHE B 96 -11.171 -30.373 -16.848 1.00 16.64 C ATOM 1845 CE2 PHE B 96 -9.906 -30.671 -14.842 1.00 13.79 C ATOM 1846 CZ PHE B 96 -11.036 -30.912 -15.593 1.00 14.66 C ATOM 1847 N LEU B 97 -5.920 -25.829 -16.807 1.00 12.81 N ATOM 1848 CA LEU B 97 -4.703 -25.316 -17.447 1.00 13.30 C ATOM 1849 C LEU B 97 -3.878 -26.482 -17.944 1.00 13.40 C ATOM 1850 O LEU B 97 -3.766 -27.514 -17.259 1.00 13.27 O ATOM 1851 CB LEU B 97 -3.862 -24.476 -16.477 1.00 13.61 C ATOM 1852 CG LEU B 97 -4.501 -23.223 -15.893 1.00 14.49 C ATOM 1853 CD1 LEU B 97 -3.411 -22.451 -15.066 1.00 13.27 C ATOM 1854 CD2 LEU B 97 -5.166 -22.402 -16.956 1.00 14.87 C ATOM 1855 N THR B 98 -3.290 -26.311 -19.126 1.00 11.43 N ATOM 1856 CA THR B 98 -2.275 -27.182 -19.618 1.00 12.35 C ATOM 1857 C THR B 98 -0.996 -26.975 -18.787 1.00 11.92 C ATOM 1858 O THR B 98 -0.920 -26.040 -17.983 1.00 10.63 O ATOM 1859 CB THR B 98 -1.963 -26.851 -21.089 1.00 12.09 C ATOM 1860 OG1 THR B 98 -1.442 -25.513 -21.163 1.00 11.16 O ATOM 1861 CG2 THR B 98 -3.218 -26.980 -21.978 1.00 12.91 C ATOM 1862 N ASP B 99 -0.012 -27.856 -18.977 1.00 12.16 N ATOM 1863 CA ASP B 99 1.315 -27.644 -18.401 1.00 13.26 C ATOM 1864 C ASP B 99 1.871 -26.240 -18.758 1.00 13.24 C ATOM 1865 O ASP B 99 2.356 -25.507 -17.884 1.00 12.10 O ATOM 1866 CB ASP B 99 2.291 -28.692 -18.909 1.00 13.79 C ATOM 1867 CG ASP B 99 2.069 -30.057 -18.294 1.00 16.78 C ATOM 1868 OD1 ASP B 99 1.413 -30.165 -17.234 1.00 20.33 O ATOM 1869 OD2 ASP B 99 2.600 -31.001 -18.882 1.00 20.10 O ATOM 1870 N GLU B 100 1.778 -25.873 -20.033 1.00 12.58 N ATOM 1871 CA GLU B 100 2.201 -24.543 -20.495 1.00 12.96 C ATOM 1872 C GLU B 100 1.406 -23.391 -19.866 1.00 12.24 C ATOM 1873 O GLU B 100 1.975 -22.393 -19.469 1.00 12.62 O ATOM 1874 CB GLU B 100 2.110 -24.476 -22.018 1.00 12.70 C ATOM 1875 CG GLU B 100 2.656 -23.217 -22.656 1.00 13.60 C ATOM 1876 CD GLU B 100 2.829 -23.338 -24.173 1.00 17.21 C ATOM 1877 OE1 GLU B 100 2.665 -24.446 -24.729 1.00 25.97 O ATOM 1878 OE2 GLU B 100 3.141 -22.319 -24.830 1.00 25.35 O ATOM 1879 N GLY B 101 0.094 -23.561 -19.706 1.00 11.80 N ATOM 1880 CA GLY B 101 -0.744 -22.516 -19.134 1.00 11.75 C ATOM 1881 C GLY B 101 -0.441 -22.314 -17.659 1.00 11.81 C ATOM 1882 O GLY B 101 -0.396 -21.181 -17.201 1.00 12.20 O ATOM 1883 N LEU B 102 -0.223 -23.404 -16.935 1.00 11.97 N ATOM 1884 CA LEU B 102 0.205 -23.317 -15.552 1.00 12.11 C ATOM 1885 C LEU B 102 1.542 -22.598 -15.415 1.00 10.80 C ATOM 1886 O LEU B 102 1.719 -21.735 -14.543 1.00 11.50 O ATOM 1887 CB LEU B 102 0.256 -24.687 -14.891 1.00 12.16 C ATOM 1888 CG LEU B 102 0.700 -24.766 -13.423 1.00 13.62 C ATOM 1889 CD1 LEU B 102 -0.171 -23.849 -12.530 1.00 15.29 C ATOM 1890 CD2 LEU B 102 0.707 -26.199 -12.899 1.00 14.62 C ATOM 1891 N ALA B 103 2.490 -22.957 -16.258 1.00 11.51 N ATOM 1892 CA ALA B 103 3.806 -22.325 -16.244 1.00 10.64 C ATOM 1893 C ALA B 103 3.680 -20.837 -16.480 1.00 11.06 C ATOM 1894 O ALA B 103 4.350 -20.046 -15.793 1.00 10.31 O ATOM 1895 CB ALA B 103 4.740 -22.978 -17.282 1.00 11.21 C ATOM 1896 N ILE B 104 2.811 -20.440 -17.415 1.00 11.03 N ATOM 1897 CA ILE B 104 2.615 -19.020 -17.735 1.00 11.15 C ATOM 1898 C ILE B 104 1.908 -18.258 -16.617 1.00 11.00 C ATOM 1899 O ILE B 104 2.326 -17.143 -16.249 1.00 10.26 O ATOM 1900 CB ILE B 104 1.915 -18.868 -19.120 1.00 12.09 C ATOM 1901 CG1 ILE B 104 2.938 -19.159 -20.203 1.00 14.35 C ATOM 1902 CG2 ILE B 104 1.330 -17.511 -19.309 1.00 12.69 C ATOM 1903 CD1 ILE B 104 4.114 -18.107 -20.262 1.00 17.82 C ATOM 1904 N HIS B 105 0.879 -18.856 -16.044 1.00 11.24 N ATOM 1905 CA HIS B 105 0.211 -18.281 -14.861 1.00 11.30 C ATOM 1906 C HIS B 105 1.201 -18.030 -13.725 1.00 10.07 C ATOM 1907 O HIS B 105 1.201 -16.958 -13.146 1.00 10.24 O ATOM 1908 CB HIS B 105 -0.896 -19.210 -14.364 1.00 10.98 C ATOM 1909 CG HIS B 105 -1.317 -18.961 -12.958 1.00 13.12 C ATOM 1910 ND1 HIS B 105 -2.003 -17.826 -12.574 1.00 14.27 N ATOM 1911 CD2 HIS B 105 -1.117 -19.683 -11.830 1.00 15.87 C ATOM 1912 CE1 HIS B 105 -2.228 -17.877 -11.273 1.00 14.05 C ATOM 1913 NE2 HIS B 105 -1.692 -18.988 -10.796 1.00 14.27 N ATOM 1914 N LEU B 106 2.033 -19.020 -13.403 1.00 9.91 N ATOM 1915 CA LEU B 106 2.992 -18.855 -12.328 1.00 10.16 C ATOM 1916 C LEU B 106 4.085 -17.838 -12.669 1.00 9.61 C ATOM 1917 O LEU B 106 4.566 -17.081 -11.788 1.00 9.13 O ATOM 1918 CB LEU B 106 3.595 -20.224 -11.907 1.00 9.44 C ATOM 1919 CG LEU B 106 2.648 -21.240 -11.236 1.00 10.03 C ATOM 1920 CD1 LEU B 106 3.362 -22.592 -11.116 1.00 11.34 C ATOM 1921 CD2 LEU B 106 2.170 -20.755 -9.860 1.00 11.09 C ATOM 1922 N HIS B 107 4.459 -17.785 -13.942 1.00 10.21 N ATOM 1923 CA HIS B 107 5.405 -16.768 -14.389 1.00 11.28 C ATOM 1924 C HIS B 107 4.806 -15.379 -14.273 1.00 11.00 C ATOM 1925 O HIS B 107 5.451 -14.433 -13.824 1.00 12.28 O ATOM 1926 CB HIS B 107 5.877 -17.009 -15.834 1.00 11.63 C ATOM 1927 CG HIS B 107 6.825 -15.960 -16.317 1.00 12.01 C ATOM 1928 ND1 HIS B 107 8.108 -15.846 -15.831 1.00 12.40 N ATOM 1929 CD2 HIS B 107 6.663 -14.947 -17.197 1.00 11.72 C ATOM 1930 CE1 HIS B 107 8.698 -14.807 -16.392 1.00 13.74 C ATOM 1931 NE2 HIS B 107 7.840 -14.243 -17.230 1.00 12.04 N ATOM 1932 N ALA B 108 3.558 -15.230 -14.695 1.00 11.22 N ATOM 1933 CA ALA B 108 2.869 -13.946 -14.544 1.00 11.56 C ATOM 1934 C ALA B 108 2.833 -13.489 -13.076 1.00 11.53 C ATOM 1935 O ALA B 108 3.050 -12.308 -12.770 1.00 12.36 O ATOM 1936 CB ALA B 108 1.440 -14.023 -15.140 1.00 11.72 C ATOM 1937 N GLU B 109 2.579 -14.419 -12.172 1.00 12.33 N ATOM 1938 CA GLU B 109 2.597 -14.130 -10.729 1.00 12.52 C ATOM 1939 C GLU B 109 3.958 -13.645 -10.232 1.00 11.78 C ATOM 1940 O GLU B 109 4.047 -12.715 -9.434 1.00 11.88 O ATOM 1941 CB GLU B 109 2.110 -15.355 -9.919 1.00 14.38 C ATOM 1942 CG GLU B 109 0.623 -15.698 -10.162 1.00 17.34 C ATOM 1943 CD GLU B 109 -0.385 -14.828 -9.394 1.00 23.70 C ATOM 1944 OE1 GLU B 109 0.016 -14.044 -8.501 1.00 30.52 O ATOM 1945 OE2 GLU B 109 -1.613 -14.967 -9.659 1.00 29.12 O ATOM 1946 N LEU B 110 5.026 -14.288 -10.687 1.00 11.92 N ATOM 1947 CA LEU B 110 6.376 -13.843 -10.357 1.00 11.11 C ATOM 1948 C LEU B 110 6.674 -12.462 -10.914 1.00 11.47 C ATOM 1949 O LEU B 110 7.351 -11.668 -10.241 1.00 11.61 O ATOM 1950 CB LEU B 110 7.413 -14.839 -10.905 1.00 11.51 C ATOM 1951 CG LEU B 110 7.422 -16.170 -10.171 1.00 10.74 C ATOM 1952 CD1 LEU B 110 8.353 -17.143 -10.911 1.00 12.59 C ATOM 1953 CD2 LEU B 110 7.816 -15.986 -8.717 1.00 14.65 C ATOM 1954 N ILE B 111 6.205 -12.178 -12.137 1.00 11.47 N ATOM 1955 CA ILE B 111 6.328 -10.811 -12.678 1.00 11.46 C ATOM 1956 C ILE B 111 5.641 -9.805 -11.746 1.00 11.84 C ATOM 1957 O ILE B 111 6.211 -8.753 -11.409 1.00 12.58 O ATOM 1958 CB ILE B 111 5.776 -10.664 -14.110 1.00 10.82 C ATOM 1959 CG1 ILE B 111 6.674 -11.356 -15.125 1.00 10.96 C ATOM 1960 CG2 ILE B 111 5.698 -9.158 -14.493 1.00 11.07 C ATOM 1961 CD1 ILE B 111 6.051 -11.381 -16.542 1.00 11.84 C ATOM 1962 N MET B 112 4.419 -10.115 -11.317 1.00 11.34 N ATOM 1963 CA AMET B 112 3.677 -9.199 -10.471 0.70 13.04 C ATOM 1964 CA BMET B 112 3.646 -9.204 -10.453 0.30 12.67 C ATOM 1965 C MET B 112 4.376 -8.960 -9.146 1.00 12.38 C ATOM 1966 O MET B 112 4.440 -7.824 -8.670 1.00 11.83 O ATOM 1967 CB AMET B 112 2.245 -9.683 -10.319 0.70 12.82 C ATOM 1968 CB BMET B 112 2.214 -9.709 -10.174 0.30 12.61 C ATOM 1969 CG AMET B 112 1.555 -9.682 -11.682 0.70 13.84 C ATOM 1970 CG BMET B 112 1.502 -8.965 -9.008 0.30 13.02 C ATOM 1971 SD AMET B 112 -0.164 -10.087 -11.644 0.70 16.23 S ATOM 1972 SD BMET B 112 -0.300 -8.796 -9.080 0.30 15.37 S ATOM 1973 CE AMET B 112 -0.199 -11.812 -11.244 0.70 16.51 C ATOM 1974 CE BMET B 112 -0.654 -8.987 -7.338 0.30 14.21 C ATOM 1975 N SER B 113 4.925 -10.018 -8.553 1.00 12.56 N ATOM 1976 CA ASER B 113 5.609 -9.862 -7.276 0.50 12.72 C ATOM 1977 CA BSER B 113 5.654 -9.917 -7.284 0.50 12.89 C ATOM 1978 C SER B 113 6.922 -9.083 -7.425 1.00 13.22 C ATOM 1979 O SER B 113 7.221 -8.252 -6.574 1.00 12.78 O ATOM 1980 CB ASER B 113 5.789 -11.213 -6.559 0.50 13.35 C ATOM 1981 CB BSER B 113 5.987 -11.319 -6.737 0.50 13.78 C ATOM 1982 OG ASER B 113 6.491 -12.132 -7.364 0.50 14.41 O ATOM 1983 OG BSER B 113 6.442 -11.265 -5.393 0.50 16.22 O ATOM 1984 N ARG B 114 7.670 -9.305 -8.504 1.00 13.27 N ATOM 1985 CA ARG B 114 8.863 -8.512 -8.789 1.00 13.50 C ATOM 1986 C ARG B 114 8.569 -7.029 -8.960 1.00 12.47 C ATOM 1987 O ARG B 114 9.337 -6.183 -8.500 1.00 12.02 O ATOM 1988 CB ARG B 114 9.592 -9.035 -10.033 1.00 14.78 C ATOM 1989 CG ARG B 114 10.877 -8.280 -10.301 1.00 15.05 C ATOM 1990 CD ARG B 114 11.777 -8.948 -11.302 1.00 18.25 C ATOM 1991 NE ARG B 114 11.051 -9.514 -12.422 1.00 23.61 N ATOM 1992 CZ ARG B 114 10.627 -8.828 -13.478 1.00 26.40 C ATOM 1993 NH1 ARG B 114 10.841 -7.517 -13.552 1.00 29.11 N ATOM 1994 NH2 ARG B 114 9.981 -9.469 -14.462 1.00 26.00 N ATOM 1995 N VAL B 115 7.493 -6.710 -9.677 1.00 10.52 N ATOM 1996 CA VAL B 115 7.109 -5.323 -9.861 1.00 10.94 C ATOM 1997 C VAL B 115 6.832 -4.642 -8.512 1.00 10.21 C ATOM 1998 O VAL B 115 7.259 -3.516 -8.245 1.00 10.66 O ATOM 1999 CB VAL B 115 5.910 -5.243 -10.816 1.00 10.02 C ATOM 2000 CG1 VAL B 115 5.242 -3.872 -10.770 1.00 9.33 C ATOM 2001 CG2 VAL B 115 6.369 -5.544 -12.266 1.00 8.68 C ATOM 2002 N HIS B 116 6.130 -5.347 -7.639 1.00 11.40 N ATOM 2003 CA HIS B 116 5.886 -4.836 -6.293 1.00 11.93 C ATOM 2004 C HIS B 116 7.169 -4.700 -5.492 1.00 12.62 C ATOM 2005 O HIS B 116 7.386 -3.681 -4.869 1.00 13.43 O ATOM 2006 CB HIS B 116 4.861 -5.700 -5.563 1.00 12.03 C ATOM 2007 CG HIS B 116 3.450 -5.450 -6.020 1.00 10.29 C ATOM 2008 ND1 HIS B 116 2.871 -6.149 -7.055 1.00 11.24 N ATOM 2009 CD2 HIS B 116 2.529 -4.542 -5.616 1.00 11.02 C ATOM 2010 CE1 HIS B 116 1.643 -5.699 -7.255 1.00 12.31 C ATOM 2011 NE2 HIS B 116 1.410 -4.712 -6.397 1.00 10.76 N ATOM 2012 N ASP B 117 8.013 -5.727 -5.497 1.00 12.50 N ATOM 2013 CA ASP B 117 9.293 -5.644 -4.829 1.00 13.62 C ATOM 2014 C ASP B 117 10.078 -4.406 -5.297 1.00 14.60 C ATOM 2015 O ASP B 117 10.631 -3.684 -4.472 1.00 14.44 O ATOM 2016 CB ASP B 117 10.099 -6.908 -5.068 1.00 13.82 C ATOM 2017 CG ASP B 117 9.637 -8.076 -4.201 1.00 16.59 C ATOM 2018 OD1 ASP B 117 8.706 -7.947 -3.369 1.00 17.26 O ATOM 2019 OD2 ASP B 117 10.234 -9.142 -4.379 1.00 18.41 O ATOM 2020 N GLU B 118 10.153 -4.179 -6.606 1.00 14.03 N ATOM 2021 CA GLU B 118 10.890 -3.038 -7.139 1.00 15.15 C ATOM 2022 C GLU B 118 10.255 -1.700 -6.727 1.00 14.67 C ATOM 2023 O GLU B 118 10.981 -0.720 -6.503 1.00 14.55 O ATOM 2024 CB GLU B 118 10.998 -3.126 -8.668 1.00 14.95 C ATOM 2025 CG GLU B 118 11.939 -4.262 -9.123 1.00 17.84 C ATOM 2026 CD GLU B 118 11.901 -4.583 -10.615 1.00 20.60 C ATOM 2027 OE1 GLU B 118 11.198 -3.892 -11.391 1.00 28.15 O ATOM 2028 OE2 GLU B 118 12.557 -5.583 -11.022 1.00 27.42 O ATOM 2029 N LEU B 119 8.923 -1.692 -6.596 1.00 14.37 N ATOM 2030 CA LEU B 119 8.177 -0.519 -6.136 1.00 14.91 C ATOM 2031 C LEU B 119 8.545 -0.181 -4.698 1.00 14.31 C ATOM 2032 O LEU B 119 8.730 0.995 -4.390 1.00 14.72 O ATOM 2033 CB LEU B 119 6.663 -0.735 -6.188 1.00 14.86 C ATOM 2034 CG LEU B 119 5.728 0.422 -5.785 1.00 14.84 C ATOM 2035 CD1 LEU B 119 5.933 1.705 -6.597 1.00 12.19 C ATOM 2036 CD2 LEU B 119 4.247 -0.021 -5.844 1.00 16.65 C ATOM 2037 N PHE B 120 8.595 -1.196 -3.824 1.00 14.48 N ATOM 2038 CA PHE B 120 8.719 -0.961 -2.396 1.00 14.50 C ATOM 2039 C PHE B 120 10.143 -0.914 -1.893 1.00 14.14 C ATOM 2040 O PHE B 120 10.399 -0.260 -0.895 1.00 16.36 O ATOM 2041 CB PHE B 120 7.949 -1.990 -1.608 1.00 14.21 C ATOM 2042 CG PHE B 120 6.464 -2.011 -1.892 1.00 15.19 C ATOM 2043 CD1 PHE B 120 5.834 -3.222 -2.166 1.00 15.65 C ATOM 2044 CD2 PHE B 120 5.699 -0.841 -1.864 1.00 15.55 C ATOM 2045 CE1 PHE B 120 4.469 -3.272 -2.418 1.00 13.73 C ATOM 2046 CE2 PHE B 120 4.322 -0.899 -2.121 1.00 13.62 C ATOM 2047 CZ PHE B 120 3.730 -2.119 -2.387 1.00 14.65 C ATOM 2048 N ALA B 121 11.060 -1.605 -2.558 1.00 14.82 N ATOM 2049 CA ALA B 121 12.474 -1.685 -2.121 1.00 14.98 C ATOM 2050 C ALA B 121 13.199 -0.361 -1.816 1.00 15.05 C ATOM 2051 O ALA B 121 14.153 -0.378 -1.009 1.00 14.27 O ATOM 2052 CB ALA B 121 13.295 -2.508 -3.116 1.00 14.92 C ATOM 2053 N PRO B 122 12.803 0.767 -2.458 1.00 14.62 N ATOM 2054 CA PRO B 122 13.439 2.062 -2.137 1.00 15.13 C ATOM 2055 C PRO B 122 13.124 2.576 -0.719 1.00 14.42 C ATOM 2056 O PRO B 122 13.842 3.443 -0.211 1.00 13.28 O ATOM 2057 CB PRO B 122 12.842 3.012 -3.184 1.00 15.28 C ATOM 2058 CG PRO B 122 12.296 2.142 -4.244 1.00 17.14 C ATOM 2059 CD PRO B 122 11.846 0.921 -3.574 1.00 16.44 C ATOM 2060 N LEU B 123 12.074 2.030 -0.091 1.00 12.95 N ATOM 2061 CA LEU B 123 11.686 2.392 1.268 1.00 13.53 C ATOM 2062 C LEU B 123 12.491 1.620 2.292 1.00 12.51 C ATOM 2063 O LEU B 123 12.721 0.435 2.123 1.00 11.23 O ATOM 2064 CB LEU B 123 10.200 2.118 1.497 1.00 13.17 C ATOM 2065 CG LEU B 123 9.204 2.947 0.667 1.00 15.12 C ATOM 2066 CD1 LEU B 123 7.798 2.679 1.205 1.00 18.01 C ATOM 2067 CD2 LEU B 123 9.500 4.409 0.698 1.00 16.76 C ATOM 2068 N THR B 124 12.876 2.285 3.376 1.00 13.31 N ATOM 2069 CA THR B 124 13.537 1.587 4.482 1.00 13.42 C ATOM 2070 C THR B 124 12.550 0.615 5.113 1.00 13.58 C ATOM 2071 O THR B 124 11.320 0.776 4.946 1.00 12.62 O ATOM 2072 CB THR B 124 14.031 2.571 5.573 1.00 12.46 C ATOM 2073 OG1 THR B 124 12.908 3.202 6.217 1.00 11.53 O ATOM 2074 CG2 THR B 124 14.941 3.621 4.957 1.00 15.03 C ATOM 2075 N PRO B 125 13.050 -0.400 5.836 1.00 13.19 N ATOM 2076 CA PRO B 125 12.104 -1.241 6.552 1.00 13.02 C ATOM 2077 C PRO B 125 11.128 -0.511 7.474 1.00 13.15 C ATOM 2078 O PRO B 125 9.951 -0.849 7.490 1.00 13.61 O ATOM 2079 CB PRO B 125 13.018 -2.219 7.286 1.00 13.86 C ATOM 2080 CG PRO B 125 14.197 -2.341 6.305 1.00 13.21 C ATOM 2081 CD PRO B 125 14.431 -0.920 5.953 1.00 14.27 C ATOM 2082 N VAL B 126 11.569 0.509 8.201 1.00 13.27 N ATOM 2083 CA AVAL B 126 10.653 1.316 9.020 0.50 13.07 C ATOM 2084 CA BVAL B 126 10.628 1.285 9.023 0.50 12.93 C ATOM 2085 C VAL B 126 9.588 1.978 8.146 1.00 13.03 C ATOM 2086 O VAL B 126 8.383 1.971 8.477 1.00 13.76 O ATOM 2087 CB AVAL B 126 11.429 2.401 9.829 0.50 13.11 C ATOM 2088 CB BVAL B 126 11.326 2.336 9.941 0.50 13.02 C ATOM 2089 CG1AVAL B 126 10.473 3.348 10.560 0.50 12.63 C ATOM 2090 CG1BVAL B 126 11.851 1.669 11.215 0.50 11.97 C ATOM 2091 CG2AVAL B 126 12.373 1.722 10.829 0.50 12.87 C ATOM 2092 CG2BVAL B 126 12.435 3.043 9.216 0.50 11.81 C ATOM 2093 N GLU B 127 10.018 2.551 7.018 1.00 13.62 N ATOM 2094 CA GLU B 127 9.079 3.185 6.095 1.00 14.00 C ATOM 2095 C GLU B 127 8.068 2.195 5.540 1.00 14.15 C ATOM 2096 O GLU B 127 6.878 2.495 5.431 1.00 14.92 O ATOM 2097 CB GLU B 127 9.801 3.905 4.953 1.00 14.91 C ATOM 2098 CG GLU B 127 10.502 5.168 5.414 1.00 14.05 C ATOM 2099 CD GLU B 127 11.411 5.766 4.375 1.00 15.62 C ATOM 2100 OE1 GLU B 127 11.878 5.006 3.502 1.00 15.02 O ATOM 2101 OE2 GLU B 127 11.673 7.010 4.463 1.00 14.33 O ATOM 2102 N GLN B 128 8.536 1.012 5.167 1.00 13.91 N ATOM 2103 CA GLN B 128 7.646 0.017 4.590 1.00 14.13 C ATOM 2104 C GLN B 128 6.617 -0.400 5.625 1.00 14.07 C ATOM 2105 O GLN B 128 5.453 -0.566 5.306 1.00 14.59 O ATOM 2106 CB GLN B 128 8.455 -1.190 4.164 1.00 13.57 C ATOM 2107 CG GLN B 128 9.355 -0.953 2.975 1.00 14.33 C ATOM 2108 CD GLN B 128 10.072 -2.225 2.598 1.00 14.32 C ATOM 2109 OE1 GLN B 128 9.456 -3.297 2.605 1.00 18.78 O ATOM 2110 NE2 GLN B 128 11.344 -2.129 2.228 1.00 14.07 N ATOM 2111 N ALA B 129 7.046 -0.614 6.868 1.00 14.25 N ATOM 2112 CA ALA B 129 6.111 -1.026 7.933 1.00 13.73 C ATOM 2113 C ALA B 129 5.056 0.075 8.181 1.00 13.81 C ATOM 2114 O ALA B 129 3.888 -0.236 8.496 1.00 13.89 O ATOM 2115 CB ALA B 129 6.862 -1.401 9.267 1.00 13.36 C ATOM 2116 N THR B 130 5.473 1.345 8.108 1.00 14.17 N ATOM 2117 CA THR B 130 4.556 2.466 8.303 1.00 13.84 C ATOM 2118 C THR B 130 3.531 2.465 7.177 1.00 12.85 C ATOM 2119 O THR B 130 2.332 2.689 7.381 1.00 13.30 O ATOM 2120 CB THR B 130 5.250 3.820 8.351 1.00 14.54 C ATOM 2121 OG1 THR B 130 6.126 3.888 9.483 1.00 14.82 O ATOM 2122 CG2 THR B 130 4.207 4.956 8.456 1.00 15.51 C ATOM 2123 N LEU B 131 4.007 2.234 5.967 1.00 12.34 N ATOM 2124 CA LEU B 131 3.104 2.171 4.817 1.00 12.70 C ATOM 2125 C LEU B 131 2.085 1.037 4.956 1.00 12.26 C ATOM 2126 O LEU B 131 0.905 1.209 4.673 1.00 12.76 O ATOM 2127 CB LEU B 131 3.921 2.067 3.508 1.00 12.18 C ATOM 2128 CG LEU B 131 3.090 2.043 2.254 1.00 13.00 C ATOM 2129 CD1 LEU B 131 2.083 3.190 2.122 1.00 12.39 C ATOM 2130 CD2 LEU B 131 4.076 1.996 1.025 1.00 12.82 C ATOM 2131 N VAL B 132 2.511 -0.135 5.428 1.00 12.67 N ATOM 2132 CA VAL B 132 1.584 -1.236 5.648 1.00 12.20 C ATOM 2133 C VAL B 132 0.499 -0.798 6.630 1.00 11.67 C ATOM 2134 O VAL B 132 -0.689 -1.050 6.418 1.00 9.75 O ATOM 2135 CB VAL B 132 2.289 -2.514 6.188 1.00 12.85 C ATOM 2136 CG1 VAL B 132 1.271 -3.575 6.641 1.00 13.31 C ATOM 2137 CG2 VAL B 132 3.188 -3.126 5.154 1.00 14.00 C ATOM 2138 N HIS B 133 0.920 -0.173 7.718 1.00 11.97 N ATOM 2139 CA AHIS B 133 0.000 0.254 8.751 0.70 12.33 C ATOM 2140 CA BHIS B 133 -0.011 0.270 8.769 0.30 12.00 C ATOM 2141 C HIS B 133 -1.042 1.236 8.226 1.00 11.82 C ATOM 2142 O HIS B 133 -2.212 1.131 8.548 1.00 10.61 O ATOM 2143 CB AHIS B 133 0.788 0.854 9.907 0.70 13.03 C ATOM 2144 CB BHIS B 133 0.723 0.906 9.967 0.30 12.66 C ATOM 2145 CG AHIS B 133 1.563 -0.157 10.693 0.70 13.34 C ATOM 2146 CG BHIS B 133 -0.005 2.063 10.597 0.30 13.15 C ATOM 2147 ND1AHIS B 133 2.556 0.193 11.581 0.70 13.93 N ATOM 2148 ND1BHIS B 133 -1.231 2.514 10.155 0.30 16.32 N ATOM 2149 CD2AHIS B 133 1.490 -1.510 10.723 0.70 15.92 C ATOM 2150 CD2BHIS B 133 0.321 2.854 11.647 0.30 15.33 C ATOM 2151 CE1AHIS B 133 3.038 -0.897 12.153 0.70 17.72 C ATOM 2152 CE1BHIS B 133 -1.618 3.540 10.889 0.30 15.62 C ATOM 2153 NE2AHIS B 133 2.404 -1.945 11.654 0.70 19.22 N ATOM 2154 NE2BHIS B 133 -0.696 3.762 11.808 0.30 15.65 N ATOM 2155 N LEU B 134 -0.597 2.195 7.426 1.00 11.40 N ATOM 2156 CA LEU B 134 -1.505 3.214 6.907 1.00 11.13 C ATOM 2157 C LEU B 134 -2.475 2.643 5.910 1.00 10.89 C ATOM 2158 O LEU B 134 -3.651 2.976 5.934 1.00 10.47 O ATOM 2159 CB LEU B 134 -0.735 4.361 6.286 1.00 9.88 C ATOM 2160 CG LEU B 134 0.041 5.218 7.277 1.00 9.74 C ATOM 2161 CD1 LEU B 134 1.123 6.006 6.532 1.00 12.18 C ATOM 2162 CD2 LEU B 134 -0.923 6.138 7.988 1.00 10.49 C ATOM 2163 N LEU B 135 -1.988 1.776 5.030 1.00 10.87 N ATOM 2164 CA LEU B 135 -2.889 1.094 4.063 1.00 11.53 C ATOM 2165 C LEU B 135 -3.906 0.217 4.778 1.00 12.08 C ATOM 2166 O LEU B 135 -5.090 0.224 4.445 1.00 10.89 O ATOM 2167 CB LEU B 135 -2.095 0.251 3.081 1.00 10.97 C ATOM 2168 CG LEU B 135 -1.245 0.986 2.066 1.00 12.00 C ATOM 2169 CD1 LEU B 135 -0.347 -0.004 1.309 1.00 12.49 C ATOM 2170 CD2 LEU B 135 -2.109 1.818 1.126 1.00 13.03 C ATOM 2171 N ASP B 136 -3.450 -0.520 5.780 1.00 12.24 N ATOM 2172 CA ASP B 136 -4.340 -1.351 6.595 1.00 13.09 C ATOM 2173 C ASP B 136 -5.391 -0.499 7.357 1.00 12.82 C ATOM 2174 O ASP B 136 -6.550 -0.903 7.461 1.00 11.16 O ATOM 2175 CB ASP B 136 -3.543 -2.220 7.577 1.00 14.66 C ATOM 2176 CG ASP B 136 -2.742 -3.361 6.907 1.00 19.35 C ATOM 2177 OD1 ASP B 136 -2.943 -3.706 5.710 1.00 24.21 O ATOM 2178 OD2 ASP B 136 -1.899 -3.953 7.634 1.00 21.23 O ATOM 2179 N GLN B 137 -4.988 0.684 7.836 1.00 13.62 N ATOM 2180 CA AGLN B 137 -5.873 1.625 8.560 0.60 13.88 C ATOM 2181 CA BGLN B 137 -5.894 1.580 8.561 0.40 13.77 C ATOM 2182 C GLN B 137 -7.027 2.094 7.667 1.00 14.13 C ATOM 2183 O GLN B 137 -8.142 2.295 8.133 1.00 13.31 O ATOM 2184 CB AGLN B 137 -5.060 2.849 9.056 0.60 14.11 C ATOM 2185 CB BGLN B 137 -5.117 2.760 9.139 0.40 13.97 C ATOM 2186 CG AGLN B 137 -5.865 3.982 9.678 0.60 14.39 C ATOM 2187 CG BGLN B 137 -5.831 3.485 10.241 0.40 13.87 C ATOM 2188 CD AGLN B 137 -6.448 3.643 11.036 0.60 14.08 C ATOM 2189 CD BGLN B 137 -4.957 4.553 10.840 0.40 13.47 C ATOM 2190 OE1AGLN B 137 -6.167 2.589 11.593 0.60 16.61 O ATOM 2191 OE1BGLN B 137 -3.754 4.365 10.982 0.40 15.39 O ATOM 2192 NE2AGLN B 137 -7.250 4.548 11.584 0.60 14.07 N ATOM 2193 NE2BGLN B 137 -5.545 5.682 11.169 0.40 13.77 N ATOM 2194 N CYS B 138 -6.750 2.285 6.377 1.00 14.14 N ATOM 2195 CA CYS B 138 -7.818 2.610 5.438 1.00 14.67 C ATOM 2196 C CYS B 138 -8.932 1.562 5.420 1.00 14.45 C ATOM 2197 O CYS B 138 -10.088 1.895 5.280 1.00 14.74 O ATOM 2198 CB CYS B 138 -7.247 2.808 4.036 1.00 14.46 C ATOM 2199 SG CYS B 138 -6.197 4.274 3.953 1.00 17.06 S ATOM 2200 N LEU B 139 -8.574 0.296 5.575 1.00 14.47 N ATOM 2201 CA LEU B 139 -9.558 -0.785 5.423 1.00 15.63 C ATOM 2202 C LEU B 139 -10.137 -1.216 6.750 1.00 17.08 C ATOM 2203 O LEU B 139 -11.326 -1.504 6.848 1.00 16.83 O ATOM 2204 CB LEU B 139 -8.910 -1.984 4.753 1.00 15.17 C ATOM 2205 CG LEU B 139 -8.476 -1.781 3.297 1.00 14.88 C ATOM 2206 CD1 LEU B 139 -8.253 -3.120 2.645 1.00 17.89 C ATOM 2207 CD2 LEU B 139 -9.538 -1.000 2.517 1.00 10.75 C ATOM 2208 N ALA B 140 -9.281 -1.277 7.768 1.00 19.05 N ATOM 2209 CA ALA B 140 -9.690 -1.752 9.086 1.00 19.79 C ATOM 2210 C ALA B 140 -10.906 -0.956 9.538 1.00 20.86 C ATOM 2211 O ALA B 140 -11.878 -1.513 10.060 1.00 20.67 O ATOM 2212 CB ALA B 140 -8.526 -1.612 10.076 1.00 20.93 C ATOM 2213 N ALA B 141 -10.847 0.351 9.303 1.00 21.45 N ATOM 2214 CA ALA B 141 -11.996 1.213 9.499 1.00 21.83 C ATOM 2215 C ALA B 141 -12.761 1.298 8.192 1.00 22.06 C ATOM 2216 O ALA B 141 -13.791 1.963 8.112 1.00 23.38 O ATOM 2217 CB ALA B 141 -11.545 2.588 9.950 1.00 22.61 C TER 2218 ALA B 141 ATOM 2219 N ARG C 30 5.651 20.315 -13.080 1.00 25.14 N ATOM 2220 CA ARG C 30 5.584 19.272 -14.134 1.00 24.32 C ATOM 2221 C ARG C 30 6.676 18.224 -13.905 1.00 23.80 C ATOM 2222 O ARG C 30 7.211 17.641 -14.859 1.00 23.62 O ATOM 2223 CB ARG C 30 5.716 19.911 -15.530 1.00 25.37 C ATOM 2224 CG ARG C 30 5.159 19.047 -16.682 1.00 25.89 C ATOM 2225 CD ARG C 30 5.474 19.640 -18.057 1.00 26.76 C ATOM 2226 NE ARG C 30 5.677 18.620 -19.099 1.00 28.89 N ATOM 2227 CZ ARG C 30 4.718 17.842 -19.622 1.00 30.77 C ATOM 2228 NH1 ARG C 30 3.448 17.935 -19.215 1.00 30.03 N ATOM 2229 NH2 ARG C 30 5.032 16.959 -20.572 1.00 29.75 N ATOM 2230 N ASP C 31 6.989 17.954 -12.635 1.00 22.15 N ATOM 2231 CA ASP C 31 8.035 16.976 -12.323 1.00 21.09 C ATOM 2232 C ASP C 31 7.492 15.552 -12.479 1.00 20.31 C ATOM 2233 O ASP C 31 6.312 15.370 -12.771 1.00 18.67 O ATOM 2234 CB ASP C 31 8.703 17.249 -10.958 1.00 20.97 C ATOM 2235 CG ASP C 31 7.812 16.947 -9.746 1.00 20.73 C ATOM 2236 OD1 ASP C 31 6.814 16.202 -9.848 1.00 18.46 O ATOM 2237 OD2 ASP C 31 8.154 17.464 -8.668 1.00 21.79 O ATOM 2238 N TYR C 32 8.347 14.556 -12.288 1.00 18.89 N ATOM 2239 CA TYR C 32 7.983 13.185 -12.601 1.00 19.21 C ATOM 2240 C TYR C 32 6.727 12.730 -11.865 1.00 18.58 C ATOM 2241 O TYR C 32 5.707 12.400 -12.501 1.00 17.90 O ATOM 2242 CB TYR C 32 9.157 12.253 -12.304 1.00 19.08 C ATOM 2243 CG TYR C 32 8.927 10.783 -12.612 1.00 18.84 C ATOM 2244 CD1 TYR C 32 8.693 10.335 -13.927 1.00 15.74 C ATOM 2245 CD2 TYR C 32 8.999 9.827 -11.590 1.00 18.40 C ATOM 2246 CE1 TYR C 32 8.479 8.960 -14.192 1.00 17.86 C ATOM 2247 CE2 TYR C 32 8.810 8.470 -11.841 1.00 18.87 C ATOM 2248 CZ TYR C 32 8.570 8.031 -13.136 1.00 19.86 C ATOM 2249 OH TYR C 32 8.405 6.678 -13.360 1.00 20.50 O ATOM 2250 N THR C 33 6.763 12.733 -10.539 1.00 18.35 N ATOM 2251 CA THR C 33 5.600 12.245 -9.779 1.00 18.36 C ATOM 2252 C THR C 33 4.358 13.142 -9.936 1.00 18.51 C ATOM 2253 O THR C 33 3.234 12.642 -10.020 1.00 17.49 O ATOM 2254 CB THR C 33 5.935 11.919 -8.321 1.00 18.11 C ATOM 2255 OG1 THR C 33 6.244 13.107 -7.576 1.00 15.63 O ATOM 2256 CG2 THR C 33 7.134 10.973 -8.250 1.00 18.34 C ATOM 2257 N GLU C 34 4.563 14.450 -10.058 1.00 18.97 N ATOM 2258 CA GLU C 34 3.463 15.362 -10.421 1.00 20.34 C ATOM 2259 C GLU C 34 2.734 14.902 -11.685 1.00 19.85 C ATOM 2260 O GLU C 34 1.501 14.826 -11.701 1.00 20.26 O ATOM 2261 CB GLU C 34 3.959 16.822 -10.540 1.00 20.94 C ATOM 2262 CG GLU C 34 4.215 17.475 -9.147 1.00 22.55 C ATOM 2263 CD GLU C 34 5.196 18.685 -9.087 1.00 24.28 C ATOM 2264 OE1 GLU C 34 5.527 19.363 -10.122 1.00 28.06 O ATOM 2265 OE2 GLU C 34 5.638 18.981 -7.933 1.00 27.47 O ATOM 2266 N GLN C 35 3.493 14.584 -12.739 1.00 19.20 N ATOM 2267 CA GLN C 35 2.891 14.168 -14.006 1.00 19.62 C ATOM 2268 C GLN C 35 2.175 12.838 -13.871 1.00 18.30 C ATOM 2269 O GLN C 35 1.060 12.671 -14.387 1.00 17.89 O ATOM 2270 CB GLN C 35 3.939 14.063 -15.098 1.00 19.38 C ATOM 2271 CG GLN C 35 4.558 15.388 -15.460 1.00 21.02 C ATOM 2272 CD GLN C 35 5.393 15.261 -16.702 1.00 22.69 C ATOM 2273 OE1 GLN C 35 4.900 14.777 -17.728 1.00 28.91 O ATOM 2274 NE2 GLN C 35 6.662 15.705 -16.640 1.00 26.35 N ATOM 2275 N LEU C 36 2.802 11.908 -13.174 1.00 18.46 N ATOM 2276 CA LEU C 36 2.195 10.579 -12.954 1.00 18.24 C ATOM 2277 C LEU C 36 0.882 10.653 -12.188 1.00 18.34 C ATOM 2278 O LEU C 36 -0.083 9.936 -12.546 1.00 17.42 O ATOM 2279 CB LEU C 36 3.172 9.645 -12.233 1.00 18.63 C ATOM 2280 CG LEU C 36 4.508 9.364 -12.911 1.00 21.32 C ATOM 2281 CD1 LEU C 36 5.285 8.183 -12.240 1.00 26.17 C ATOM 2282 CD2 LEU C 36 4.328 9.124 -14.386 1.00 20.99 C ATOM 2283 N ARG C 37 0.853 11.482 -11.136 1.00 17.27 N ATOM 2284 CA ARG C 37 -0.370 11.714 -10.348 1.00 17.79 C ATOM 2285 C ARG C 37 -1.507 12.252 -11.235 1.00 17.60 C ATOM 2286 O ARG C 37 -2.627 11.758 -11.188 1.00 18.90 O ATOM 2287 CB ARG C 37 -0.120 12.628 -9.140 1.00 17.58 C ATOM 2288 CG ARG C 37 0.617 11.981 -7.966 1.00 16.77 C ATOM 2289 CD ARG C 37 0.598 12.805 -6.691 1.00 21.62 C ATOM 2290 NE ARG C 37 1.240 14.085 -6.911 1.00 23.88 N ATOM 2291 CZ ARG C 37 1.661 14.921 -5.971 1.00 28.91 C ATOM 2292 NH1 ARG C 37 1.527 14.636 -4.669 1.00 28.29 N ATOM 2293 NH2 ARG C 37 2.218 16.077 -6.351 1.00 27.51 N ATOM 2294 N ARG C 38 -1.203 13.242 -12.050 1.00 17.63 N ATOM 2295 CA AARG C 38 -2.197 13.822 -12.962 0.70 17.74 C ATOM 2296 CA BARG C 38 -2.195 13.831 -12.961 0.30 17.18 C ATOM 2297 C ARG C 38 -2.710 12.808 -13.964 1.00 17.39 C ATOM 2298 O ARG C 38 -3.924 12.675 -14.166 1.00 17.25 O ATOM 2299 CB AARG C 38 -1.612 15.014 -13.698 0.70 18.00 C ATOM 2300 CB BARG C 38 -1.609 15.037 -13.698 0.30 17.28 C ATOM 2301 CG AARG C 38 -1.544 16.257 -12.871 0.70 18.47 C ATOM 2302 CG BARG C 38 -1.570 16.300 -12.869 0.30 16.63 C ATOM 2303 CD AARG C 38 -1.567 17.494 -13.739 0.70 19.49 C ATOM 2304 CD BARG C 38 -0.785 17.409 -13.550 0.30 16.29 C ATOM 2305 NE AARG C 38 -0.325 17.649 -14.487 0.70 21.80 N ATOM 2306 NE BARG C 38 -1.454 17.955 -14.734 0.30 14.41 N ATOM 2307 CZ AARG C 38 0.812 18.137 -13.981 0.70 22.42 C ATOM 2308 CZ BARG C 38 -2.411 18.889 -14.721 0.30 15.11 C ATOM 2309 NH1AARG C 38 0.883 18.550 -12.718 0.30 21.70 N ATOM 2310 NH1BARG C 38 -2.864 19.404 -13.580 0.30 14.49 N ATOM 2311 NH2AARG C 38 1.884 18.243 -14.765 0.70 23.69 N ATOM 2312 NH2BARG C 38 -2.927 19.311 -15.870 0.30 14.55 N ATOM 2313 N ALA C 39 -1.792 12.083 -14.589 1.00 16.54 N ATOM 2314 CA ALA C 39 -2.177 11.052 -15.575 1.00 16.77 C ATOM 2315 C ALA C 39 -2.994 9.963 -14.915 1.00 16.19 C ATOM 2316 O ALA C 39 -3.986 9.479 -15.477 1.00 17.03 O ATOM 2317 CB ALA C 39 -0.929 10.447 -16.257 1.00 15.91 C ATOM 2318 N ALA C 40 -2.579 9.535 -13.725 1.00 15.56 N ATOM 2319 CA ALA C 40 -3.280 8.438 -13.048 1.00 16.08 C ATOM 2320 C ALA C 40 -4.688 8.832 -12.610 1.00 16.97 C ATOM 2321 O ALA C 40 -5.643 8.023 -12.717 1.00 16.79 O ATOM 2322 CB ALA C 40 -2.464 7.933 -11.864 1.00 15.20 C ATOM 2323 N ARG C 41 -4.818 10.055 -12.107 1.00 17.09 N ATOM 2324 CA ARG C 41 -6.117 10.577 -11.698 1.00 17.07 C ATOM 2325 C ARG C 41 -7.061 10.599 -12.892 1.00 17.18 C ATOM 2326 O ARG C 41 -8.247 10.239 -12.768 1.00 17.18 O ATOM 2327 CB ARG C 41 -5.963 11.987 -11.109 1.00 17.59 C ATOM 2328 CG ARG C 41 -7.286 12.656 -10.776 1.00 19.09 C ATOM 2329 CD ARG C 41 -7.799 12.044 -9.527 1.00 21.53 C ATOM 2330 NE ARG C 41 -9.163 12.417 -9.177 1.00 21.33 N ATOM 2331 CZ ARG C 41 -10.257 11.874 -9.706 1.00 20.92 C ATOM 2332 NH1 ARG C 41 -10.158 10.977 -10.670 1.00 21.51 N ATOM 2333 NH2 ARG C 41 -11.458 12.264 -9.272 1.00 21.85 N ATOM 2334 N ARG C 42 -6.534 11.029 -14.044 1.00 17.47 N ATOM 2335 CA ARG C 42 -7.286 11.093 -15.300 1.00 16.72 C ATOM 2336 C ARG C 42 -7.781 9.709 -15.732 1.00 16.37 C ATOM 2337 O ARG C 42 -8.851 9.585 -16.311 1.00 15.11 O ATOM 2338 CB ARG C 42 -6.407 11.666 -16.417 1.00 17.26 C ATOM 2339 CG ARG C 42 -7.084 11.706 -17.786 1.00 19.11 C ATOM 2340 CD ARG C 42 -6.270 12.467 -18.839 1.00 17.78 C ATOM 2341 NE ARG C 42 -6.732 12.167 -20.202 1.00 19.96 N ATOM 2342 CZ ARG C 42 -6.355 11.109 -20.923 1.00 19.29 C ATOM 2343 NH1 ARG C 42 -5.478 10.230 -20.438 1.00 19.78 N ATOM 2344 NH2 ARG C 42 -6.851 10.924 -22.136 1.00 17.62 N ATOM 2345 N ASN C 43 -6.973 8.693 -15.469 1.00 15.25 N ATOM 2346 CA ASN C 43 -7.231 7.324 -15.916 1.00 15.71 C ATOM 2347 C ASN C 43 -7.918 6.475 -14.851 1.00 14.05 C ATOM 2348 O ASN C 43 -7.966 5.266 -14.981 1.00 12.55 O ATOM 2349 CB ASN C 43 -5.898 6.655 -16.291 1.00 16.83 C ATOM 2350 CG ASN C 43 -5.339 7.122 -17.616 1.00 23.21 C ATOM 2351 OD1 ASN C 43 -6.081 7.440 -18.551 1.00 28.79 O ATOM 2352 ND2 ASN C 43 -3.993 7.090 -17.735 1.00 29.56 N ATOM 2353 N ALA C 44 -8.464 7.108 -13.811 1.00 13.55 N ATOM 2354 CA ALA C 44 -9.005 6.382 -12.658 1.00 13.88 C ATOM 2355 C ALA C 44 -10.026 5.309 -13.049 1.00 13.78 C ATOM 2356 O ALA C 44 -10.006 4.184 -12.513 1.00 14.50 O ATOM 2357 CB ALA C 44 -9.633 7.372 -11.668 1.00 12.97 C ATOM 2358 N TRP C 45 -10.940 5.644 -13.957 1.00 14.20 N ATOM 2359 CA TRP C 45 -11.980 4.664 -14.362 1.00 14.12 C ATOM 2360 C TRP C 45 -11.364 3.533 -15.117 1.00 14.38 C ATOM 2361 O TRP C 45 -11.731 2.380 -14.924 1.00 14.83 O ATOM 2362 CB TRP C 45 -13.077 5.315 -15.209 1.00 14.70 C ATOM 2363 CG TRP C 45 -13.833 6.319 -14.415 1.00 14.14 C ATOM 2364 CD1 TRP C 45 -13.675 7.696 -14.447 1.00 16.04 C ATOM 2365 CD2 TRP C 45 -14.835 6.060 -13.413 1.00 14.59 C ATOM 2366 NE1 TRP C 45 -14.519 8.269 -13.539 1.00 14.61 N ATOM 2367 CE2 TRP C 45 -15.259 7.308 -12.911 1.00 15.77 C ATOM 2368 CE3 TRP C 45 -15.439 4.891 -12.905 1.00 14.56 C ATOM 2369 CZ2 TRP C 45 -16.241 7.422 -11.909 1.00 14.94 C ATOM 2370 CZ3 TRP C 45 -16.422 5.016 -11.905 1.00 14.78 C ATOM 2371 CH2 TRP C 45 -16.810 6.273 -11.429 1.00 15.66 C ATOM 2372 N ASP C 46 -10.388 3.842 -15.958 1.00 15.48 N ATOM 2373 CA ASP C 46 -9.752 2.768 -16.692 1.00 15.49 C ATOM 2374 C ASP C 46 -8.996 1.829 -15.733 1.00 15.73 C ATOM 2375 O ASP C 46 -8.981 0.600 -15.923 1.00 15.50 O ATOM 2376 CB ASP C 46 -8.814 3.293 -17.760 1.00 16.15 C ATOM 2377 CG ASP C 46 -8.355 2.179 -18.658 1.00 17.06 C ATOM 2378 OD1 ASP C 46 -9.209 1.615 -19.380 1.00 25.83 O ATOM 2379 OD2 ASP C 46 -7.206 1.807 -18.577 1.00 15.64 O ATOM 2380 N LEU C 47 -8.347 2.427 -14.742 1.00 14.96 N ATOM 2381 CA LEU C 47 -7.509 1.681 -13.795 1.00 15.10 C ATOM 2382 C LEU C 47 -8.344 0.772 -12.904 1.00 15.77 C ATOM 2383 O LEU C 47 -8.028 -0.396 -12.729 1.00 16.81 O ATOM 2384 CB LEU C 47 -6.747 2.679 -12.923 1.00 15.77 C ATOM 2385 CG LEU C 47 -5.474 3.249 -13.600 1.00 16.25 C ATOM 2386 CD1 LEU C 47 -4.888 4.390 -12.760 1.00 18.54 C ATOM 2387 CD2 LEU C 47 -4.430 2.159 -13.787 1.00 16.89 C ATOM 2388 N TYR C 48 -9.458 1.283 -12.390 1.00 15.31 N ATOM 2389 CA TYR C 48 -10.362 0.410 -11.676 1.00 16.51 C ATOM 2390 C TYR C 48 -11.098 -0.551 -12.607 1.00 16.50 C ATOM 2391 O TYR C 48 -11.453 -1.645 -12.175 1.00 18.78 O ATOM 2392 CB TYR C 48 -11.354 1.210 -10.825 1.00 16.37 C ATOM 2393 CG TYR C 48 -10.691 1.805 -9.610 1.00 15.17 C ATOM 2394 CD1 TYR C 48 -10.200 0.992 -8.592 1.00 16.07 C ATOM 2395 CD2 TYR C 48 -10.525 3.188 -9.482 1.00 15.68 C ATOM 2396 CE1 TYR C 48 -9.580 1.536 -7.482 1.00 15.96 C ATOM 2397 CE2 TYR C 48 -9.913 3.737 -8.367 1.00 14.75 C ATOM 2398 CZ TYR C 48 -9.475 2.905 -7.358 1.00 15.47 C ATOM 2399 OH TYR C 48 -8.856 3.427 -6.264 1.00 15.06 O ATOM 2400 N GLY C 49 -11.313 -0.187 -13.868 1.00 16.36 N ATOM 2401 CA GLY C 49 -12.008 -1.056 -14.806 1.00 16.23 C ATOM 2402 C GLY C 49 -11.220 -2.261 -15.309 1.00 15.92 C ATOM 2403 O GLY C 49 -11.802 -3.302 -15.653 1.00 16.39 O ATOM 2404 N GLU C 50 -9.900 -2.118 -15.380 1.00 15.92 N ATOM 2405 CA GLU C 50 -9.014 -3.190 -15.847 1.00 16.34 C ATOM 2406 C GLU C 50 -7.653 -3.102 -15.158 1.00 16.12 C ATOM 2407 O GLU C 50 -6.902 -2.158 -15.348 1.00 17.33 O ATOM 2408 CB GLU C 50 -8.818 -3.164 -17.354 1.00 16.48 C ATOM 2409 CG GLU C 50 -8.061 -4.399 -17.854 1.00 16.71 C ATOM 2410 CD GLU C 50 -8.112 -4.594 -19.328 1.00 19.07 C ATOM 2411 OE1 GLU C 50 -9.223 -4.802 -19.874 1.00 23.59 O ATOM 2412 OE2 GLU C 50 -7.025 -4.562 -19.943 1.00 20.67 O ATOM 2413 N HIS C 51 -7.345 -4.135 -14.391 1.00 15.66 N ATOM 2414 CA HIS C 51 -6.076 -4.207 -13.684 1.00 14.85 C ATOM 2415 C HIS C 51 -5.714 -5.669 -13.465 1.00 14.64 C ATOM 2416 O HIS C 51 -6.534 -6.553 -13.679 1.00 14.69 O ATOM 2417 CB HIS C 51 -6.205 -3.397 -12.380 1.00 14.06 C ATOM 2418 CG HIS C 51 -4.916 -2.808 -11.886 1.00 14.69 C ATOM 2419 ND1 HIS C 51 -3.844 -3.592 -11.516 1.00 16.98 N ATOM 2420 CD2 HIS C 51 -4.535 -1.528 -11.661 1.00 15.28 C ATOM 2421 CE1 HIS C 51 -2.847 -2.819 -11.119 1.00 14.78 C ATOM 2422 NE2 HIS C 51 -3.245 -1.564 -11.172 1.00 14.17 N ATOM 2423 N PHE C 52 -4.468 -5.926 -13.076 1.00 14.40 N ATOM 2424 CA PHE C 52 -3.994 -7.267 -12.780 1.00 14.92 C ATOM 2425 C PHE C 52 -4.431 -7.733 -11.398 1.00 15.75 C ATOM 2426 O PHE C 52 -4.499 -8.926 -11.141 1.00 17.03 O ATOM 2427 CB PHE C 52 -2.474 -7.366 -12.921 1.00 14.03 C ATOM 2428 CG PHE C 52 -1.998 -7.124 -14.317 1.00 14.72 C ATOM 2429 CD1 PHE C 52 -2.024 -8.139 -15.247 1.00 12.03 C ATOM 2430 CD2 PHE C 52 -1.534 -5.855 -14.698 1.00 11.92 C ATOM 2431 CE1 PHE C 52 -1.620 -7.917 -16.544 1.00 12.79 C ATOM 2432 CE2 PHE C 52 -1.129 -5.627 -15.979 1.00 11.89 C ATOM 2433 CZ PHE C 52 -1.167 -6.660 -16.917 1.00 10.95 C ATOM 2434 N TYR C 53 -4.713 -6.785 -10.515 1.00 15.87 N ATOM 2435 CA TYR C 53 -5.360 -7.045 -9.235 1.00 16.86 C ATOM 2436 C TYR C 53 -6.768 -7.613 -9.403 1.00 18.53 C ATOM 2437 O TYR C 53 -7.198 -8.389 -8.528 1.00 20.34 O ATOM 2438 CB TYR C 53 -5.484 -5.748 -8.418 1.00 16.68 C ATOM 2439 CG TYR C 53 -4.209 -5.084 -7.981 1.00 15.89 C ATOM 2440 CD1 TYR C 53 -3.107 -5.810 -7.542 1.00 17.17 C ATOM 2441 CD2 TYR C 53 -4.130 -3.702 -7.920 1.00 16.65 C ATOM 2442 CE1 TYR C 53 -1.953 -5.128 -7.095 1.00 15.95 C ATOM 2443 CE2 TYR C 53 -3.024 -3.062 -7.511 1.00 16.81 C ATOM 2444 CZ TYR C 53 -1.928 -3.771 -7.094 1.00 16.80 C ATOM 2445 OH TYR C 53 -0.825 -3.079 -6.658 1.00 15.45 O ATOM 2446 OXT TYR C 53 -7.495 -7.286 -10.365 1.00 19.95 O TER 2447 TYR C 53 HETATM 2448 O HOH A 501 -2.964 15.872 5.367 1.00 18.81 O HETATM 2449 O HOH A 509 -9.926 11.443 -1.700 1.00 22.55 O HETATM 2450 O HOH A 513 -6.927 8.469 -23.686 1.00 28.01 O HETATM 2451 O HOH A 514 -15.025 6.026 6.008 1.00 25.59 O HETATM 2452 O HOH A 515 5.107 -7.137 -0.392 1.00 19.32 O HETATM 2453 O HOH A 520 -19.280 15.581 -10.438 1.00 22.32 O HETATM 2454 O HOH A 521 -3.197 15.226 12.398 1.00 23.70 O HETATM 2455 O HOH A 525 -14.176 11.907 -9.656 1.00 27.17 O HETATM 2456 O HOH A 526 -14.268 3.523 0.365 1.00 22.28 O HETATM 2457 O HOH A 532 -28.833 11.037 -16.838 1.00 26.60 O HETATM 2458 O HOH A 534 -11.295 12.392 -33.394 1.00 27.27 O HETATM 2459 O HOH A 535 -28.254 10.821 -11.811 1.00 27.39 O HETATM 2460 O HOH A 539 -31.443 14.371 -24.702 1.00 37.27 O HETATM 2461 O HOH A 542 -4.813 -2.840 3.329 1.00 27.34 O HETATM 2462 O HOH A 543 -27.083 17.466 -18.009 1.00 25.76 O HETATM 2463 O HOH A 546 -18.063 13.485 -3.938 1.00 28.00 O HETATM 2464 O HOH A 547 -4.717 -8.724 -0.456 1.00 25.44 O HETATM 2465 O HOH A 549 -0.197 6.806 13.049 1.00 34.08 O HETATM 2466 O HOH A 552 -10.379 -5.536 0.140 1.00 30.60 O HETATM 2467 O HOH A 554 -16.874 3.544 0.533 1.00 32.94 O HETATM 2468 O HOH A 555 -8.784 13.229 8.837 1.00 35.39 O HETATM 2469 O HOH A 558 -2.477 10.625 13.956 1.00 24.90 O HETATM 2470 O HOH A 562 11.288 -4.663 5.243 1.00 25.23 O HETATM 2471 O HOH A 564 -10.128 -4.034 -12.414 1.00 34.51 O HETATM 2472 O HOH A 566 -12.507 -5.839 -6.365 1.00 39.55 O HETATM 2473 O HOH A 568 3.122 10.876 -5.799 1.00 27.23 O HETATM 2474 O HOH A 569 -24.358 0.880 -11.790 1.00 39.96 O HETATM 2475 O HOH A 571 -19.792 -4.173 -5.879 1.00 31.09 O HETATM 2476 O HOH A 574 -11.624 13.378 -6.277 1.00 40.24 O HETATM 2477 O HOH A 576 -30.392 13.054 -16.805 1.00 34.54 O HETATM 2478 O HOH A 579 -19.195 17.219 -23.179 1.00 30.57 O HETATM 2479 O HOH A 580 -17.170 13.049 0.479 1.00 28.19 O HETATM 2480 O HOH A 582 1.517 9.794 10.910 1.00 36.79 O HETATM 2481 O HOH A 583 10.035 0.491 -12.055 1.00 31.29 O HETATM 2482 O HOH A 586 -33.195 12.027 -17.224 1.00 38.91 O HETATM 2483 O HOH A 588 -14.046 14.416 -35.006 1.00 35.56 O HETATM 2484 O HOH A 593 -32.995 3.025 -27.272 1.00 31.68 O HETATM 2485 O HOH A 596 -29.161 16.148 -24.938 1.00 31.09 O HETATM 2486 O HOH A 598 -15.629 10.809 4.253 1.00 34.40 O HETATM 2487 O HOH A 601 8.334 16.972 -2.902 1.00 33.44 O HETATM 2488 O HOH A 602 -11.671 15.686 -29.810 1.00 35.09 O HETATM 2489 O HOH A 603 -28.654 9.732 -14.241 1.00 27.03 O HETATM 2490 O HOH A 604 7.449 13.294 -1.164 1.00 41.20 O HETATM 2491 O HOH A 605 -16.385 8.803 5.732 1.00 28.14 O HETATM 2492 O HOH A 607 0.680 9.371 13.567 1.00 39.07 O HETATM 2493 O HOH A 609 2.064 6.949 10.462 1.00 37.64 O HETATM 2494 O HOH A 611 -12.024 1.203 -19.401 1.00 37.68 O HETATM 2495 O HOH A 612 -8.006 6.837 -21.737 1.00 34.70 O HETATM 2496 O HOH A 613 14.910 -6.211 -1.644 1.00 56.65 O HETATM 2497 O HOH A 614 -22.658 -4.611 -13.645 1.00 41.38 O HETATM 2498 O HOH A 615 -17.215 4.400 5.254 1.00 34.76 O HETATM 2499 O HOH A 617 -29.647 8.749 -7.829 1.00 41.57 O HETATM 2500 O HOH A 621 13.279 -8.477 -0.573 1.00 38.63 O HETATM 2501 O HOH A 623 -16.615 -4.450 -8.787 1.00 39.76 O HETATM 2502 O HOH A 624 -25.797 10.081 -3.153 1.00 36.28 O HETATM 2503 O HOH A 626 -11.445 13.735 -35.732 1.00 36.38 O HETATM 2504 O HOH A 627 8.753 -9.999 0.446 1.00 40.75 O HETATM 2505 O HOH A 629 6.920 15.363 -4.569 1.00 31.46 O HETATM 2506 O HOH A 631 -15.570 14.148 -2.878 1.00 35.63 O HETATM 2507 O HOH A 632 -13.868 2.669 2.834 1.00 28.12 O HETATM 2508 O HOH A 633 -5.710 0.780 -29.234 1.00 38.89 O HETATM 2509 O HOH A 639 -6.993 -8.593 -1.447 1.00 40.46 O HETATM 2510 O HOH A 640 1.437 -12.239 -1.094 1.00 38.55 O HETATM 2511 O HOH A 641 -0.811 -10.842 -2.457 1.00 36.10 O HETATM 2512 O HOH A 644 -30.282 14.543 -14.629 1.00 35.24 O HETATM 2513 O HOH A 645 -17.192 16.233 -11.951 1.00 39.17 O HETATM 2514 O HOH A 646 -17.045 15.670 -5.764 1.00 29.17 O HETATM 2515 O HOH A 647 10.024 2.232 -13.734 1.00 31.16 O HETATM 2516 O HOH A 648 -3.305 -10.868 -1.266 1.00 39.76 O HETATM 2517 O HOH A 649 -25.585 -1.336 -4.244 1.00 41.03 O HETATM 2518 O HOH A 651 -19.350 15.562 -24.966 1.00 23.53 O HETATM 2519 O HOH A 652 2.917 14.750 2.369 1.00 19.95 O HETATM 2520 O HOH A 654 -12.455 19.309 -25.406 1.00 30.17 O HETATM 2521 O HOH A 655 -30.383 8.627 -18.018 1.00 36.70 O HETATM 2522 O HOH A 656 -19.153 17.957 -6.315 1.00 40.75 O HETATM 2523 O HOH A 661 -4.053 -6.912 3.713 1.00 35.56 O HETATM 2524 O HOH A 662 -3.482 -8.902 3.724 1.00 47.59 O HETATM 2525 O HOH A 663 -25.856 8.387 -1.321 1.00 43.56 O HETATM 2526 O HOH A 664 -29.236 5.330 -16.166 1.00 45.14 O HETATM 2527 O HOH A 665 -10.273 2.056 -33.356 1.00 40.10 O HETATM 2528 O HOH A 666 -11.418 12.184 -3.893 1.00 36.86 O HETATM 2529 O HOH A 667 -19.379 9.553 2.923 1.00 39.40 O HETATM 2530 O HOH A 675 -0.233 -11.879 3.964 1.00 52.22 O HETATM 2531 O HOH A 676 -18.345 -5.457 -7.466 1.00 38.01 O HETATM 2532 O HOH A 677 13.655 -6.125 -3.841 1.00 43.25 O HETATM 2533 O HOH A 678 3.804 -10.773 -0.385 1.00 40.08 O HETATM 2534 O HOH A 679 -16.057 -2.503 -10.335 1.00 45.37 O HETATM 2535 O HOH A 680 -30.524 1.754 -17.713 1.00 41.98 O HETATM 2536 O HOH A 681 -25.116 16.718 -26.756 1.00 47.32 O HETATM 2537 O HOH A 682 -29.572 16.864 -16.301 1.00 34.32 O HETATM 2538 O HOH A 683 -11.002 11.928 8.650 1.00 45.78 O HETATM 2539 O HOH A 697 -2.480 18.431 4.972 1.00 37.42 O HETATM 2540 O HOH A 699 9.411 -12.044 1.997 1.00 39.74 O HETATM 2541 O HOH A 700 -12.703 -6.059 -1.327 1.00 47.39 O HETATM 2542 O HOH A 701 -15.324 -3.713 0.008 1.00 56.80 O HETATM 2543 O HOH A 702 -19.387 -2.636 -1.201 1.00 38.96 O HETATM 2544 O HOH A 703 -17.085 -0.650 3.173 1.00 55.99 O HETATM 2545 O HOH A 704 -22.634 -3.963 -6.664 1.00 46.02 O HETATM 2546 O HOH A 705 -27.713 0.062 -11.335 1.00 46.26 O HETATM 2547 O HOH A 706 -18.228 -3.375 -18.402 1.00 42.45 O HETATM 2548 O HOH A 707 -19.020 8.271 5.321 1.00 35.69 O HETATM 2549 O HOH B 502 8.074 -1.590 -9.985 1.00 18.01 O HETATM 2550 O HOH B 503 -7.452 12.951 -2.053 1.00 15.12 O HETATM 2551 O HOH B 504 8.914 -15.436 -23.700 1.00 21.31 O HETATM 2552 O HOH B 505 2.072 6.263 -12.255 1.00 18.77 O HETATM 2553 O HOH B 506 -2.529 -15.605 -14.111 1.00 19.17 O HETATM 2554 O HOH B 507 -1.173 0.979 -17.571 1.00 18.61 O HETATM 2555 O HOH B 508 9.334 -3.599 6.993 1.00 22.00 O HETATM 2556 O HOH B 510 -17.387 -24.806 -11.442 1.00 23.12 O HETATM 2557 O HOH B 511 1.319 -29.481 -26.461 1.00 27.57 O HETATM 2558 O HOH B 512 6.599 -20.815 -14.330 1.00 20.22 O HETATM 2559 O HOH B 516 2.457 8.202 -5.755 1.00 21.14 O HETATM 2560 O HOH B 517 0.606 16.327 1.657 1.00 24.24 O HETATM 2561 O HOH B 518 9.492 -3.458 -19.029 1.00 25.50 O HETATM 2562 O HOH B 523 -16.577 -27.470 -11.686 1.00 24.91 O HETATM 2563 O HOH B 524 1.412 -27.725 -22.212 1.00 28.44 O HETATM 2564 O HOH B 527 2.189 -12.251 -7.537 1.00 28.14 O HETATM 2565 O HOH B 528 4.332 -17.880 -9.204 1.00 26.01 O HETATM 2566 O HOH B 530 -12.430 3.453 4.860 1.00 24.21 O HETATM 2567 O HOH B 533 -0.374 -14.727 -28.982 1.00 27.49 O HETATM 2568 O HOH B 536 6.203 -6.960 -2.799 1.00 29.80 O HETATM 2569 O HOH B 537 9.472 -2.610 -11.938 1.00 31.29 O HETATM 2570 O HOH B 538 -2.205 3.531 -18.430 1.00 29.45 O HETATM 2571 O HOH B 540 -14.757 -21.671 -26.264 1.00 26.53 O HETATM 2572 O HOH B 541 -13.296 -34.541 -22.665 1.00 29.77 O HETATM 2573 O HOH B 544 -9.296 -27.940 -25.147 1.00 33.69 O HETATM 2574 O HOH B 545 -19.919 -27.896 -17.227 1.00 28.92 O HETATM 2575 O HOH B 548 3.630 -26.541 -15.769 1.00 33.68 O HETATM 2576 O HOH B 550 -0.988 -30.239 -20.015 1.00 28.65 O HETATM 2577 O HOH B 551 3.496 -9.480 -26.161 1.00 34.23 O HETATM 2578 O HOH B 553 -14.260 -32.391 -17.319 1.00 38.67 O HETATM 2579 O HOH B 556 0.785 -18.142 -25.994 1.00 27.07 O HETATM 2580 O HOH B 557 -6.110 -26.319 -13.940 1.00 28.69 O HETATM 2581 O HOH B 559 12.211 -9.197 -6.689 1.00 40.58 O HETATM 2582 O HOH B 560 -10.571 13.246 5.550 1.00 28.81 O HETATM 2583 O HOH B 561 -2.712 -3.326 -18.878 1.00 22.35 O HETATM 2584 O HOH B 563 -12.523 16.780 1.307 1.00 38.27 O HETATM 2585 O HOH B 565 13.757 5.573 1.502 1.00 31.83 O HETATM 2586 O HOH B 567 -0.684 -29.325 -24.506 1.00 34.92 O HETATM 2587 O HOH B 572 3.319 2.739 12.007 1.00 35.84 O HETATM 2588 O HOH B 573 1.864 -9.243 -23.343 1.00 28.87 O HETATM 2589 O HOH B 575 -7.594 15.625 6.357 1.00 42.01 O HETATM 2590 O HOH B 577 -15.602 -24.113 -9.277 1.00 28.46 O HETATM 2591 O HOH B 578 -6.114 -27.384 -25.492 1.00 40.68 O HETATM 2592 O HOH B 581 13.480 -0.600 -6.919 1.00 32.17 O HETATM 2593 O HOH B 585 -3.222 -30.158 -17.359 1.00 38.46 O HETATM 2594 O HOH B 587 -19.016 -25.402 -22.140 1.00 29.80 O HETATM 2595 O HOH B 590 10.266 8.634 5.693 1.00 42.60 O HETATM 2596 O HOH B 591 -11.430 -29.480 -8.831 1.00 32.91 O HETATM 2597 O HOH B 592 1.449 -20.817 -26.471 1.00 37.60 O HETATM 2598 O HOH B 595 -14.291 -26.410 -10.286 1.00 27.53 O HETATM 2599 O HOH B 597 7.887 1.352 11.188 1.00 25.81 O HETATM 2600 O HOH B 599 2.162 -15.101 -28.067 1.00 35.09 O HETATM 2601 O HOH B 600 7.371 1.251 -17.258 1.00 34.93 O HETATM 2602 O HOH B 606 -8.153 14.573 -4.486 1.00 33.13 O HETATM 2603 O HOH B 608 13.504 5.180 7.752 1.00 31.52 O HETATM 2604 O HOH B 610 3.202 -2.061 -22.988 1.00 31.50 O HETATM 2605 O HOH B 616 1.344 16.991 -0.921 1.00 30.81 O HETATM 2606 O HOH B 618 -3.745 -25.417 -13.023 1.00 25.90 O HETATM 2607 O HOH B 619 4.156 -20.497 -23.212 1.00 34.50 O HETATM 2608 O HOH B 620 6.219 -14.503 -5.911 1.00 37.44 O HETATM 2609 O HOH B 622 2.982 -14.042 -5.787 1.00 38.66 O HETATM 2610 O HOH B 625 -4.783 -26.689 -10.327 1.00 46.20 O HETATM 2611 O HOH B 635 -1.574 15.486 -6.460 1.00 32.15 O HETATM 2612 O HOH B 636 3.114 15.496 -2.339 1.00 43.50 O HETATM 2613 O HOH B 638 -3.360 -29.169 -25.271 1.00 41.14 O HETATM 2614 O HOH B 642 -12.638 -33.965 -16.691 1.00 38.40 O HETATM 2615 O HOH B 643 -11.155 -34.709 -14.438 1.00 38.35 O HETATM 2616 O HOH B 653 -12.952 -2.865 5.045 1.00 44.44 O HETATM 2617 O HOH B 657 11.974 -6.980 -25.282 1.00 38.80 O HETATM 2618 O HOH B 658 -7.974 -9.508 -23.332 1.00 44.65 O HETATM 2619 O HOH B 659 -12.102 -33.139 -12.630 1.00 38.11 O HETATM 2620 O HOH B 660 1.743 -17.767 -8.175 1.00 45.06 O HETATM 2621 O HOH B 668 4.681 14.454 -0.109 1.00 37.34 O HETATM 2622 O HOH B 669 -20.797 -35.591 -12.584 1.00 46.40 O HETATM 2623 O HOH B 670 -3.438 -19.813 -8.332 1.00 51.53 O HETATM 2624 O HOH B 671 6.077 -20.033 -8.650 1.00 40.51 O HETATM 2625 O HOH B 672 9.806 -12.094 -12.314 1.00 34.45 O HETATM 2626 O HOH B 673 15.278 6.209 -2.678 1.00 37.65 O HETATM 2627 O HOH B 674 -8.265 13.905 -6.789 1.00 29.11 O HETATM 2628 O HOH B 684 -9.949 19.191 16.004 1.00 45.25 O HETATM 2629 O HOH B 685 -6.960 15.688 -8.331 1.00 34.49 O HETATM 2630 O HOH B 690 -8.792 -26.935 -7.759 1.00 35.86 O HETATM 2631 O HOH B 691 -15.937 -21.923 -28.618 1.00 32.88 O HETATM 2632 O HOH B 692 -12.805 -23.340 -27.146 1.00 36.19 O HETATM 2633 O HOH B 693 -11.434 -30.691 -25.690 1.00 41.11 O HETATM 2634 O HOH B 694 -14.119 -33.248 -13.720 1.00 43.84 O HETATM 2635 O HOH B 695 3.177 -33.187 -15.562 1.00 47.11 O HETATM 2636 O HOH B 696 9.032 -11.318 -5.406 1.00 46.51 O HETATM 2637 O HOH B 698 4.842 -15.405 -7.231 1.00 41.30 O HETATM 2638 O HOH B 708 -11.808 -12.640 -26.687 1.00 39.65 O HETATM 2639 O HOH B 709 13.945 -7.045 -9.396 1.00 45.76 O HETATM 2640 O HOH B 711 1.126 4.781 -16.746 1.00 36.69 O HETATM 2641 O HOH B 712 -10.329 -18.383 -7.138 1.00 40.49 O HETATM 2642 O HOH C 519 3.748 4.795 -13.854 1.00 21.75 O HETATM 2643 O HOH C 522 9.286 5.697 -15.830 1.00 19.84 O HETATM 2644 O HOH C 529 6.386 4.519 -13.273 1.00 25.65 O HETATM 2645 O HOH C 531 -10.531 7.287 -16.594 1.00 27.63 O HETATM 2646 O HOH C 570 -4.895 15.278 -10.225 1.00 37.58 O HETATM 2647 O HOH C 584 -5.274 -2.688 -19.138 1.00 29.67 O HETATM 2648 O HOH C 589 -12.038 10.564 -12.500 1.00 35.89 O HETATM 2649 O HOH C 594 7.658 3.351 -15.438 1.00 28.00 O HETATM 2650 O HOH C 628 -14.254 -2.752 -12.372 1.00 31.35 O HETATM 2651 O HOH C 630 -5.677 14.827 -12.883 1.00 33.92 O HETATM 2652 O HOH C 634 -8.185 14.542 -16.217 1.00 47.19 O HETATM 2653 O HOH C 637 -9.697 10.395 -19.115 1.00 37.81 O HETATM 2654 O HOH C 650 -9.742 -6.034 -14.283 1.00 32.55 O HETATM 2655 O HOH C 686 -2.416 15.583 -9.203 1.00 34.52 O HETATM 2656 O HOH C 687 -5.361 14.759 -15.301 1.00 45.95 O HETATM 2657 O HOH C 688 -6.750 -0.520 -20.025 1.00 30.55 O HETATM 2658 O HOH C 689 -11.346 -0.472 -17.789 1.00 41.25 O HETATM 2659 O HOH C 710 -3.633 9.654 -18.293 1.00 38.02 O MASTER 646 0 0 14 5 0 0 6 2558 3 0 24 END
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Related entries of code: 3ech
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
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Protein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1g5j
RCSB PDB
PDBbind
25-mer
1wlp
RCSB PDB
PDBbind
25-mer
Entry Information
PDB ID
3ech
Complex Type
Protein-Protein
PDBbind Subset
general set
Protein Name
Multidrug resistance operon repressor, MexR
Ligand Name
25-mer
EC.Number
E.C.-.-.-.-
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
Kd=300nM
Release Year
2008
Protein/NA Sequence
Check fasta file
Primary Reference
(2008) Proc.Natl.Acad.Sci.Usa Vol. 105: pp. 14832-14837
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P52003
Q9HXS2
Entrez Gene ID
NCBI Entrez Gene ID:
877857
880376
ASD
Information of known allosteric effects of PDB entries
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