USER MOD reduce.3.24.130724 H: found=0, std=0, add=933, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER HYDROLASE 07-JAN-16 5HFS TITLE CRYSTAL STRUCTURE OF C-TERMINAL DOMAIN OF CARGO PROTEINS OF TYPE IX TITLE 2 SECRETION SYSTEM COMPND MOL_ID: 1; COMPND 2 MOLECULE: GINGIPAIN R2; COMPND 3 CHAIN: A, B; COMPND 4 SYNONYM: ARG-GINGIPAIN,GINGIPAIN 2,RGP-2; COMPND 5 EC: 3.4.22.37; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: PORPHYROMONAS GINGIVALIS; SOURCE 3 ORGANISM_TAXID: 837; SOURCE 4 GENE: RGPB, PRTRII, RGP2, PG_0506; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS IG-LIKE DOMAIN, TYPE IX SECRETION SYSTEM, PROTEASE, HYDROLASE EXPDTA X-RAY DIFFRACTION AUTHOR P.GOLIK,B.SZMIGIELSKI,M.KSIAZEK,Z.NOWAKOWSKA,D.MIZGALSKA,M.NOWAK, AUTHOR 2 G.DUBIN,J.POTEMPA REVDAT 1 06-APR-16 5HFS 0 JRNL AUTH I.DE DIEGO,M.KSIAZEK,D.MIZGALSKA,L.KONERU,P.GOLIK, JRNL AUTH 2 B.SZMIGIELSKI,M.NOWAK,Z.NOWAKOWSKA,B.POTEMPA,J.A.HOUSTON, JRNL AUTH 3 J.J.ENGHILD,I.B.THGERSEN,J.GAO,A.H.KWAN,J.TREWHELLA,G.DUBIN, JRNL AUTH 4 F.X.GOMIS-RUTH,K.A.NGUYEN,J.POTEMPA JRNL TITL THE OUTER-MEMBRANE EXPORT SIGNAL OF PORPHYROMONAS GINGIVALIS JRNL TITL 2 TYPE IX SECRETION SYSTEM (T9SS) IS A CONSERVED C-TERMINAL JRNL TITL 3 BETA-SANDWICH DOMAIN. JRNL REF SCI REP V. 6 23123 2016 JRNL REFN ESSN 2045-2322 JRNL PMID 27005013 JRNL DOI 10.1038/SREP23123 REMARK 2 REMARK 2 RESOLUTION. 1.97 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PHENIX 1.8.4_1496 REMARK 3 AUTHORS : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN REMARK 3 : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE, REMARK 3 : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER, REMARK 3 : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY, REMARK 3 : REETAL PAI,RANDY READ,JANE RICHARDSON, REMARK 3 : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI, REMARK 3 : NICHOLAS SAUTER,JACOB SMITH,LAURENT REMARK 3 : STORONI,TOM TERWILLIGER,PETER ZWART REMARK 3 REMARK 3 REFINEMENT TARGET : ML REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.97 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 32.64 REMARK 3 MIN(FOBS/SIGMA_FOBS) : 1.440 REMARK 3 COMPLETENESS FOR RANGE (%) : 99.6 REMARK 3 NUMBER OF REFLECTIONS : 10402 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 R VALUE (WORKING + TEST SET) : 0.221 REMARK 3 R VALUE (WORKING SET) : 0.219 REMARK 3 FREE R VALUE : 0.247 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.250 REMARK 3 FREE R VALUE TEST SET COUNT : 546 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT (IN BINS). REMARK 3 BIN RESOLUTION RANGE COMPL. NWORK NFREE RWORK RFREE REMARK 3 1 32.6450 - 3.1249 0.99 2446 130 0.1894 0.2044 REMARK 3 2 3.1249 - 2.4806 1.00 2478 153 0.2618 0.2901 REMARK 3 3 2.4806 - 2.1671 1.00 2460 139 0.2484 0.2734 REMARK 3 4 2.1671 - 1.9690 1.00 2472 124 0.2450 0.3509 REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : FLAT BULK SOLVENT MODEL REMARK 3 SOLVENT RADIUS : 1.11 REMARK 3 SHRINKAGE RADIUS : 0.90 REMARK 3 K_SOL : NULL REMARK 3 B_SOL : NULL REMARK 3 REMARK 3 ERROR ESTIMATES. REMARK 3 COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED) : 0.180 REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 32.270 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL REMARK 3 REMARK 3 TWINNING INFORMATION. REMARK 3 FRACTION: NULL REMARK 3 OPERATOR: NULL REMARK 3 REMARK 3 DEVIATIONS FROM IDEAL VALUES. REMARK 3 RMSD COUNT REMARK 3 BOND : 0.007 956 REMARK 3 ANGLE : 1.118 1299 REMARK 3 CHIRALITY : 0.039 163 REMARK 3 PLANARITY : 0.003 162 REMARK 3 DIHEDRAL : 11.598 333 REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : 1 REMARK 3 TLS GROUP : 1 REMARK 3 SELECTION: ALL REMARK 3 ORIGIN FOR THE GROUP (A): 0.5386 4.4382 -6.5625 REMARK 3 T TENSOR REMARK 3 T11: 0.1808 T22: 0.1633 REMARK 3 T33: 0.1747 T12: -0.0007 REMARK 3 T13: -0.0109 T23: -0.0040 REMARK 3 L TENSOR REMARK 3 L11: 6.1716 L22: 0.6990 REMARK 3 L33: 1.3914 L12: 0.3667 REMARK 3 L13: -0.9884 L23: -0.0045 REMARK 3 S TENSOR REMARK 3 S11: -0.3137 S12: 0.0057 S13: 0.0334 REMARK 3 S21: -0.0158 S22: 0.1126 S23: -0.0365 REMARK 3 S31: -0.0458 S32: 0.0242 S33: 0.1838 REMARK 3 REMARK 3 NCS DETAILS REMARK 3 NUMBER OF NCS GROUPS : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 5HFS COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 07-JAN-16. REMARK 100 THE DEPOSITION ID IS D_1000216964. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 06-JUL-11 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 6.4 REMARK 200 NUMBER OF CRYSTALS USED : NULL REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : N REMARK 200 RADIATION SOURCE : ROTATING ANODE REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : RIGAKU MICROMAX-007 HF REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.54 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : RIGAKU RAXIS IV++ REMARK 200 INTENSITY-INTEGRATION SOFTWARE : IMOSFLM REMARK 200 DATA SCALING SOFTWARE : SCALA REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 10503 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.970 REMARK 200 RESOLUTION RANGE LOW (A) : 32.640 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 100.0 REMARK 200 DATA REDUNDANCY : 5.600 REMARK 200 R MERGE (I) : 0.12100 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 7.0000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.97 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.08 REMARK 200 COMPLETENESS FOR SHELL (%) : 100.0 REMARK 200 DATA REDUNDANCY IN SHELL : 5.30 REMARK 200 R MERGE FOR SHELL (I) : 0.41100 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 2.700 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: PHASER REMARK 200 STARTING MODEL: 1CVR REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 49.46 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.43 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: PEG 3350, LITHIUM SULPHATE, BIS TRIS, REMARK 280 PH 6.4, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 277K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 65 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -Y,X-Y,Z+2/3 REMARK 290 3555 -X+Y,-X,Z+1/3 REMARK 290 4555 -X,-Y,Z+1/2 REMARK 290 5555 Y,-X+Y,Z+1/6 REMARK 290 6555 X-Y,X,Z+5/6 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 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 122.76667 REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 61.38333 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 92.07500 REMARK 290 SMTRY1 5 0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 5 -0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 30.69167 REMARK 290 SMTRY1 6 0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 6 0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 153.45833 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: DIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 3150 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 7570 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -86.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B 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 ILE A 665 REMARK 465 ALA A 666 REMARK 465 ASP A 667 REMARK 465 VAL A 668 REMARK 465 ALA A 669 REMARK 465 ASN A 670 REMARK 465 ASP A 671 REMARK 465 ILE B 665 REMARK 465 ALA B 666 REMARK 465 ASP B 667 REMARK 465 VAL B 668 REMARK 465 ALA B 669 REMARK 465 ASN B 670 REMARK 465 ASP B 671 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 VAL A 678 CG1 CG2 REMARK 470 LYS A 681 CE NZ REMARK 470 ARG A 700 CZ NH1 NH2 REMARK 470 LYS A 706 CD CE NZ REMARK 470 GLN A 714 CG CD OE1 NE2 REMARK 470 ASN A 715 CG OD1 ND2 REMARK 470 GLU A 725 CG CD OE1 OE2 REMARK 470 LYS A 732 CD CE NZ REMARK 470 LYS A 736 CE NZ REMARK 470 LYS B 681 CG CD CE NZ REMARK 470 ARG B 701 CZ NH1 NH2 REMARK 470 LYS B 706 CD CE NZ REMARK 470 ARG B 708 CD NE CZ NH1 NH2 REMARK 470 LYS B 736 CD CE NZ 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 PRO A 673 31.27 -84.47 REMARK 500 SER A 687 98.26 -162.93 REMARK 500 ASN A 707 -38.27 73.92 REMARK 500 PRO B 673 36.57 -86.82 REMARK 500 SER B 687 96.96 -160.51 REMARK 500 ASN B 707 -47.39 72.17 REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue CA A 801 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue ZN B 801 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue ZN B 802 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue ZN B 803 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue ZN B 804 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC6 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue ZN B 805 DBREF 5HFS A 665 736 UNP P95493 CPG2_PORGI 665 736 DBREF 5HFS B 665 736 UNP P95493 CPG2_PORGI 665 736 SEQRES 1 A 72 ILE ALA ASP VAL ALA ASN ASP LYS PRO TYR THR VAL ALA SEQRES 2 A 72 VAL SER GLY LYS THR ILE THR VAL GLU SER PRO ALA ALA SEQRES 3 A 72 GLY LEU THR ILE PHE ASP MET ASN GLY ARG ARG VAL ALA SEQRES 4 A 72 THR ALA LYS ASN ARG MET VAL PHE GLU ALA GLN ASN GLY SEQRES 5 A 72 VAL TYR ALA VAL ARG ILE ALA THR GLU GLY LYS THR TYR SEQRES 6 A 72 THR GLU LYS VAL ILE VAL LYS SEQRES 1 B 72 ILE ALA ASP VAL ALA ASN ASP LYS PRO TYR THR VAL ALA SEQRES 2 B 72 VAL SER GLY LYS THR ILE THR VAL GLU SER PRO ALA ALA SEQRES 3 B 72 GLY LEU THR ILE PHE ASP MET ASN GLY ARG ARG VAL ALA SEQRES 4 B 72 THR ALA LYS ASN ARG MET VAL PHE GLU ALA GLN ASN GLY SEQRES 5 B 72 VAL TYR ALA VAL ARG ILE ALA THR GLU GLY LYS THR TYR SEQRES 6 B 72 THR GLU LYS VAL ILE VAL LYS HET CA A 801 1 HET ZN B 801 1 HET ZN B 802 1 HET ZN B 803 1 HET ZN B 804 1 HET ZN B 805 1 HETNAM CA CALCIUM ION HETNAM ZN ZINC ION FORMUL 3 CA CA 2+ FORMUL 4 ZN 5(ZN 2+) FORMUL 9 HOH *33(H2 O) SHEET 1 AA1 3 THR A 675 SER A 679 0 SHEET 2 AA1 3 THR A 682 PHE A 695 -1 O THR A 684 N ALA A 677 SHEET 3 AA1 3 ARG A 701 GLU A 712 -1 O PHE A 711 N ILE A 683 SHEET 1 AA2 4 THR A 675 SER A 679 0 SHEET 2 AA2 4 THR A 682 PHE A 695 -1 O THR A 684 N ALA A 677 SHEET 3 AA2 4 GLY A 716 THR A 724 -1 O ARG A 721 N THR A 693 SHEET 4 AA2 4 THR B 728 VAL B 735 -1 O TYR B 729 N ILE A 722 SHEET 1 AA3 4 THR A 728 VAL A 735 0 SHEET 2 AA3 4 GLY B 716 THR B 724 -1 O ILE B 722 N TYR A 729 SHEET 3 AA3 4 THR B 682 PHE B 695 -1 N THR B 693 O ARG B 721 SHEET 4 AA3 4 THR B 675 SER B 679 -1 N ALA B 677 O THR B 684 SHEET 1 AA4 4 THR A 728 VAL A 735 0 SHEET 2 AA4 4 GLY B 716 THR B 724 -1 O ILE B 722 N TYR A 729 SHEET 3 AA4 4 THR B 682 PHE B 695 -1 N THR B 693 O ARG B 721 SHEET 4 AA4 4 ARG B 701 GLU B 712 -1 O ASN B 707 N SER B 687 SITE *** AC1 1 ARG A 721 SITE *** AC2 1 ILE A 734 SITE *** AC3 1 ARG B 721 SITE *** AC4 2 ARG B 700 LYS B 732 SITE *** AC5 1 ILE B 734 SITE *** AC6 1 LYS B 727 CRYST1 37.690 37.690 184.150 90.00 90.00 120.00 P 65 12 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 0.026532 0.015318 0.000000 0.00000 SCALE2 0.000000 0.030637 0.000000 0.00000 SCALE3 0.000000 0.000000 0.005430 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 672 LYS NZ :NH3+ 164:sc= -0.385 (180deg=-1.22!) USER MOD Single : A 674 TYR OH : rot 156:sc= 0.956 USER MOD Single : A 675 THR OG1 : rot 180:sc= -0.14 USER MOD Single : A 679 SER OG : rot 180:sc= 0 USER MOD Single : A 682 THR OG1 : rot -50:sc= 0.801 USER MOD Single : A 684 THR OG1 : rot 180:sc= 0 USER MOD Single : A 687 SER OG : rot 80:sc= 1.39 USER MOD Single : A 693 THR OG1 : rot 123:sc= 1.48 USER MOD Single : A 697 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 698 ASN : amide:sc= -0.0037 K(o=-0.0037,f=-1.3) USER MOD Single : A 704 THR OG1 : rot 120:sc= 0.0163 USER MOD Single : A 707 ASN : amide:sc= 0.448 K(o=0.45,f=-3.3!) USER MOD Single : A 709 MET CE :methyl 137:sc= 0 (180deg=-0.135) USER MOD Single : A 718 TYR OH : rot 180:sc= 0.0272 USER MOD Single : A 724 THR OG1 : rot -60:sc= 0.965 USER MOD Single : A 727 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 728 THR OG1 : rot 180:sc= 0 USER MOD Single : A 729 TYR OH : rot -21:sc= 2.45 USER MOD Single : A 730 THR OG1 : rot 180:sc= 0 USER MOD Single : B 672 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 674 TYR OH : rot 12:sc= 1.33 USER MOD Single : B 675 THR OG1 : rot 89:sc= 0.723 USER MOD Single : B 679 SER OG : rot 180:sc= 0 USER MOD Single : B 682 THR OG1 : rot -51:sc= 1.03 USER MOD Single : B 684 THR OG1 : rot 90:sc= 0.393 USER MOD Single : B 687 SER OG : rot 68:sc= 2.19 USER MOD Single : B 693 THR OG1 : rot 86:sc= 1.24 USER MOD Single : B 697 MET CE :methyl -162:sc= -0.788 (180deg=-2.37!) USER MOD Single : B 698 ASN : amide:sc= -0.051 K(o=-0.051,f=-1.4) USER MOD Single : B 704 THR OG1 : rot 180:sc= 0 USER MOD Single : B 707 ASN : amide:sc= 0.484 K(o=0.48,f=-3.6!) USER MOD Single : B 709 MET CE :methyl 175:sc= -1.62 (180deg=-2.18!) USER MOD Single : B 714 GLN : amide:sc= -0.101 K(o=-0.1,f=-1.7!) USER MOD Single : B 715 ASN : amide:sc= -0.0106 K(o=-0.011,f=-0.95) USER MOD Single : B 718 TYR OH : rot -18:sc= 0.187 USER MOD Single : B 724 THR OG1 : rot -60:sc= 0.527 USER MOD Single : B 727 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 728 THR OG1 : rot 180:sc= 0 USER MOD Single : B 729 TYR OH : rot 180:sc= 1.27 USER MOD Single : B 730 THR OG1 : rot 180:sc= 0 USER MOD Single : B 732 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 672 -0.070 5.890 1.824 1.00 47.98 N ANISOU 1 N LYS A 672 5806 6766 5660 504 -263 -329 N ATOM 2 CA LYS A 672 0.975 6.425 0.953 1.00 40.37 C ANISOU 2 CA LYS A 672 4886 5655 4799 428 -312 -355 C ATOM 3 C LYS A 672 0.561 6.426 -0.533 1.00 41.24 C ANISOU 3 C LYS A 672 5107 5512 5050 356 -301 -298 C ATOM 4 O LYS A 672 0.576 7.489 -1.151 1.00 50.49 O ANISOU 4 O LYS A 672 6303 6549 6331 299 -371 -378 O ATOM 5 CB LYS A 672 2.296 5.670 1.157 1.00 32.96 C ANISOU 5 CB LYS A 672 3900 4829 3795 443 -277 -227 C ATOM 6 CG LYS A 672 3.502 6.322 0.493 1.00 42.78 C ANISOU 6 CG LYS A 672 5158 5981 5117 366 -334 -277 C ATOM 7 CD LYS A 672 4.687 6.456 1.451 1.00 58.36 C ANISOU 7 CD LYS A 672 7009 8191 6975 391 -370 -312 C ATOM 8 CE LYS A 672 5.505 7.726 1.173 1.00 63.63 C ANISOU 8 CE LYS A 672 7657 8786 7733 302 -461 -489 C ATOM 9 NZ LYS A 672 4.685 8.852 0.624 1.00 67.75 N ANISOU 9 NZ LYS A 672 8239 9084 8419 244 -509 -631 N ATOM 0 HA LYS A 672 1.108 7.352 1.207 1.00 40.37 H new ATOM 0 HB2 LYS A 672 2.467 5.591 2.108 1.00 32.96 H new ATOM 0 HB3 LYS A 672 2.198 4.769 0.811 1.00 32.96 H new ATOM 0 HG2 LYS A 672 3.769 5.796 -0.277 1.00 42.78 H new ATOM 0 HG3 LYS A 672 3.253 7.200 0.164 1.00 42.78 H new ATOM 0 HD2 LYS A 672 4.363 6.473 2.365 1.00 58.36 H new ATOM 0 HD3 LYS A 672 5.260 5.678 1.368 1.00 58.36 H new ATOM 0 HE2 LYS A 672 5.930 8.015 1.995 1.00 63.63 H new ATOM 0 HE3 LYS A 672 6.214 7.515 0.546 1.00 63.63 H new ATOM 0 HZ1 LYS A 672 5.139 9.614 0.699 1.00 67.75 H new ATOM 0 HZ2 LYS A 672 4.505 8.697 -0.234 1.00 67.75 H new ATOM 0 HZ3 LYS A 672 3.923 8.915 1.080 1.00 67.75 H new ATOM 10 N PRO A 673 0.179 5.264 -1.124 1.00 39.46 N ANISOU 10 N PRO A 673 4926 5233 4834 352 -207 -162 N ATOM 11 CA PRO A 673 -0.224 5.413 -2.532 1.00 28.56 C ANISOU 11 CA PRO A 673 3619 3687 3548 268 -210 -149 C ATOM 12 C PRO A 673 -1.687 5.837 -2.691 1.00 27.86 C ANISOU 12 C PRO A 673 3546 3555 3486 273 -235 -198 C ATOM 13 O PRO A 673 -2.341 5.470 -3.664 1.00 29.60 O ANISOU 13 O PRO A 673 3798 3713 3734 221 -203 -157 O ATOM 14 CB PRO A 673 -0.003 4.011 -3.103 1.00 38.65 C ANISOU 14 CB PRO A 673 4909 4937 4839 247 -91 -44 C ATOM 15 CG PRO A 673 -0.307 3.113 -1.953 1.00 35.83 C ANISOU 15 CG PRO A 673 4497 4679 4436 338 -14 26 C ATOM 16 CD PRO A 673 0.174 3.846 -0.714 1.00 36.40 C ANISOU 16 CD PRO A 673 4507 4916 4408 405 -92 -18 C ATOM 0 HA PRO A 673 0.280 6.109 -2.982 1.00 28.56 H new ATOM 0 HB2 PRO A 673 -0.588 3.836 -3.857 1.00 38.65 H new ATOM 0 HB3 PRO A 673 0.907 3.893 -3.417 1.00 38.65 H new ATOM 0 HG2 PRO A 673 -1.257 2.927 -1.899 1.00 35.83 H new ATOM 0 HG3 PRO A 673 0.144 2.260 -2.049 1.00 35.83 H new ATOM 0 HD2 PRO A 673 -0.417 3.696 0.040 1.00 36.40 H new ATOM 0 HD3 PRO A 673 1.058 3.550 -0.446 1.00 36.40 H new ATOM 17 N TYR A 674 -2.206 6.600 -1.739 1.00 24.11 N ANISOU 17 N TYR A 674 3029 3134 2998 332 -287 -301 N ATOM 18 CA TYR A 674 -3.574 7.078 -1.837 1.00 26.65 C ANISOU 18 CA TYR A 674 3350 3412 3364 350 -311 -352 C ATOM 19 C TYR A 674 -3.715 8.308 -0.969 1.00 26.31 C ANISOU 19 C TYR A 674 3245 3383 3370 397 -383 -518 C ATOM 20 O TYR A 674 -2.843 8.593 -0.141 1.00 29.82 O ANISOU 20 O TYR A 674 3639 3923 3770 414 -404 -609 O ATOM 21 CB TYR A 674 -4.567 5.996 -1.398 1.00 26.05 C ANISOU 21 CB TYR A 674 3264 3425 3210 391 -223 -304 C ATOM 22 CG TYR A 674 -4.317 5.524 0.017 1.00 28.18 C ANISOU 22 CG TYR A 674 3466 3880 3361 470 -182 -306 C ATOM 23 CD1 TYR A 674 -3.513 4.411 0.273 1.00 28.58 C ANISOU 23 CD1 TYR A 674 3501 3998 3361 482 -102 -170 C ATOM 24 CD2 TYR A 674 -4.854 6.205 1.096 1.00 28.04 C ANISOU 24 CD2 TYR A 674 3376 3994 3284 533 -218 -438 C ATOM 25 CE1 TYR A 674 -3.258 3.994 1.588 1.00 32.15 C ANISOU 25 CE1 TYR A 674 3860 4671 3686 561 -69 -118 C ATOM 26 CE2 TYR A 674 -4.617 5.790 2.401 1.00 30.37 C ANISOU 26 CE2 TYR A 674 3579 4536 3423 599 -184 -429 C ATOM 27 CZ TYR A 674 -3.824 4.686 2.637 1.00 31.42 C ANISOU 27 CZ TYR A 674 3691 4758 3488 615 -113 -245 C ATOM 28 OH TYR A 674 -3.608 4.294 3.934 1.00 29.23 O ANISOU 28 OH TYR A 674 3294 4771 3040 687 -83 -187 O ATOM 0 H TYR A 674 -1.785 6.851 -1.032 1.00 24.11 H new ATOM 0 HA TYR A 674 -3.774 7.298 -2.760 1.00 26.65 H new ATOM 0 HB2 TYR A 674 -5.470 6.343 -1.466 1.00 26.05 H new ATOM 0 HB3 TYR A 674 -4.507 5.241 -2.004 1.00 26.05 H new ATOM 0 HD1 TYR A 674 -3.142 3.940 -0.438 1.00 28.58 H new ATOM 0 HD2 TYR A 674 -5.383 6.954 0.945 1.00 28.04 H new ATOM 0 HE1 TYR A 674 -2.713 3.258 1.750 1.00 32.15 H new ATOM 0 HE2 TYR A 674 -4.992 6.255 3.113 1.00 30.37 H new ATOM 0 HH TYR A 674 -3.717 4.950 4.447 1.00 29.23 H new ATOM 29 N THR A 675 -4.806 9.039 -1.164 1.00 30.12 N ANISOU 29 N THR A 675 3711 3780 3953 415 -418 -574 N ATOM 30 CA THR A 675 -5.223 10.049 -0.200 1.00 34.36 C ANISOU 30 CA THR A 675 4166 4335 4556 473 -456 -775 C ATOM 31 C THR A 675 -6.667 9.767 0.155 1.00 32.91 C ANISOU 31 C THR A 675 3956 4218 4329 533 -421 -796 C ATOM 32 O THR A 675 -7.458 9.336 -0.686 1.00 28.58 O ANISOU 32 O THR A 675 3451 3612 3797 515 -403 -668 O ATOM 33 CB THR A 675 -5.086 11.499 -0.734 1.00 39.60 C ANISOU 33 CB THR A 675 4798 4774 5475 449 -529 -844 C ATOM 34 OG1 THR A 675 -5.833 11.642 -1.948 1.00 39.41 O ANISOU 34 OG1 THR A 675 4807 4609 5557 428 -546 -677 O ATOM 35 CG2 THR A 675 -3.632 11.837 -0.994 1.00 37.84 C ANISOU 35 CG2 THR A 675 4582 4491 5302 382 -560 -837 C ATOM 0 H THR A 675 -5.320 8.965 -1.850 1.00 30.12 H new ATOM 0 HA THR A 675 -4.641 9.994 0.574 1.00 34.36 H new ATOM 0 HB THR A 675 -5.434 12.107 -0.063 1.00 39.60 H new ATOM 0 HG1 THR A 675 -5.757 12.429 -2.233 1.00 39.41 H new ATOM 0 HG21 THR A 675 -3.565 12.746 -1.327 1.00 37.84 H new ATOM 0 HG22 THR A 675 -3.129 11.758 -0.169 1.00 37.84 H new ATOM 0 HG23 THR A 675 -3.270 11.224 -1.653 1.00 37.84 H new ATOM 36 N VAL A 676 -6.990 9.994 1.418 1.00 31.23 N ANISOU 36 N VAL A 676 3656 4165 4045 597 -408 -971 N ATOM 37 CA VAL A 676 -8.339 9.859 1.946 1.00 35.04 C ANISOU 37 CA VAL A 676 4087 4741 4484 659 -373 -1027 C ATOM 38 C VAL A 676 -8.606 11.103 2.771 1.00 35.76 C ANISOU 38 C VAL A 676 4064 4841 4682 707 -406 -1309 C ATOM 39 O VAL A 676 -7.793 11.455 3.611 1.00 37.62 O ANISOU 39 O VAL A 676 4228 5205 4860 705 -417 -1481 O ATOM 40 CB VAL A 676 -8.508 8.623 2.858 1.00 38.20 C ANISOU 40 CB VAL A 676 4460 5413 4641 692 -291 -952 C ATOM 41 CG1 VAL A 676 -9.870 8.666 3.540 1.00 42.25 C ANISOU 41 CG1 VAL A 676 4894 6050 5108 755 -255 -1042 C ATOM 42 CG2 VAL A 676 -8.348 7.346 2.084 1.00 40.15 C ANISOU 42 CG2 VAL A 676 4797 5613 4847 646 -232 -704 C ATOM 0 H VAL A 676 -6.415 10.238 2.009 1.00 31.23 H new ATOM 0 HA VAL A 676 -8.955 9.750 1.205 1.00 35.04 H new ATOM 0 HB VAL A 676 -7.812 8.646 3.533 1.00 38.20 H new ATOM 0 HG11 VAL A 676 -9.971 7.888 4.111 1.00 42.25 H new ATOM 0 HG12 VAL A 676 -9.938 9.471 4.076 1.00 42.25 H new ATOM 0 HG13 VAL A 676 -10.569 8.666 2.867 1.00 42.25 H new ATOM 0 HG21 VAL A 676 -8.459 6.590 2.681 1.00 40.15 H new ATOM 0 HG22 VAL A 676 -9.018 7.306 1.384 1.00 40.15 H new ATOM 0 HG23 VAL A 676 -7.464 7.317 1.687 1.00 40.15 H new ATOM 43 N ALA A 677 -9.733 11.760 2.540 1.00 35.42 N ANISOU 43 N ALA A 677 3982 4671 4803 748 -417 -1374 N ATOM 44 CA ALA A 677 -10.076 12.962 3.286 1.00 41.50 C ANISOU 44 CA ALA A 677 4623 5412 5735 798 -430 -1674 C ATOM 45 C ALA A 677 -11.583 13.091 3.412 1.00 42.85 C ANISOU 45 C ALA A 677 4734 5587 5959 870 -402 -1716 C ATOM 46 O ALA A 677 -12.321 12.808 2.465 1.00 41.90 O ANISOU 46 O ALA A 677 4673 5349 5899 871 -409 -1507 O ATOM 47 CB ALA A 677 -9.493 14.200 2.610 1.00 39.30 C ANISOU 47 CB ALA A 677 4329 4814 5787 767 -487 -1729 C ATOM 0 H ALA A 677 -10.316 11.526 1.953 1.00 35.42 H new ATOM 0 HA ALA A 677 -9.694 12.890 4.175 1.00 41.50 H new ATOM 0 HB1 ALA A 677 -9.731 14.990 3.120 1.00 39.30 H new ATOM 0 HB2 ALA A 677 -8.527 14.122 2.568 1.00 39.30 H new ATOM 0 HB3 ALA A 677 -9.850 14.276 1.711 1.00 39.30 H new ATOM 48 N VAL A 678 -12.035 13.510 4.587 1.00 44.16 N ANISOU 48 N VAL A 678 4766 5925 6089 927 -368 -2003 N ATOM 49 CA VAL A 678 -13.438 13.824 4.798 1.00 42.49 C ANISOU 49 CA VAL A 678 4475 5713 5957 984 -342 -2067 C ATOM 50 C VAL A 678 -13.601 15.332 4.918 1.00 48.05 C ANISOU 50 C VAL A 678 5077 6195 6985 964 -367 -2247 C ATOM 51 O VAL A 678 -12.874 15.987 5.668 1.00 37.62 O ANISOU 51 O VAL A 678 3669 4927 5696 911 -372 -2454 O ATOM 52 CB VAL A 678 -14.000 13.144 6.063 1.00 48.37 C ANISOU 52 CB VAL A 678 5141 6843 6395 998 -280 -2145 C ATOM 0 H VAL A 678 -11.539 13.619 5.281 1.00 44.16 H new ATOM 0 HA VAL A 678 -13.936 13.487 4.037 1.00 42.49 H new ATOM 53 N SER A 679 -14.547 15.886 4.172 1.00 47.79 N ANISOU 53 N SER A 679 5031 5924 7205 1007 -377 -2157 N ATOM 54 CA SER A 679 -14.852 17.307 4.275 1.00 56.67 C ANISOU 54 CA SER A 679 6040 6823 8669 999 -380 -2298 C ATOM 55 C SER A 679 -16.359 17.477 4.302 1.00 57.83 C ANISOU 55 C SER A 679 6122 6961 8889 1069 -351 -2289 C ATOM 56 O SER A 679 -17.037 17.237 3.303 1.00 56.26 O ANISOU 56 O SER A 679 5969 6644 8764 1121 -369 -2049 O ATOM 57 CB SER A 679 -14.243 18.094 3.115 1.00 59.70 C ANISOU 57 CB SER A 679 6457 6847 9382 974 -426 -2128 C ATOM 58 OG SER A 679 -14.543 19.474 3.245 1.00 65.42 O ANISOU 58 OG SER A 679 7050 7346 10462 967 -410 -2248 O ATOM 0 H SER A 679 -15.025 15.457 3.600 1.00 47.79 H new ATOM 0 HA SER A 679 -14.464 17.657 5.092 1.00 56.67 H new ATOM 0 HB2 SER A 679 -13.282 17.966 3.098 1.00 59.70 H new ATOM 0 HB3 SER A 679 -14.588 17.760 2.273 1.00 59.70 H new ATOM 0 HG SER A 679 -14.203 19.897 2.604 1.00 65.42 H new ATOM 59 N GLY A 680 -16.886 17.890 5.447 1.00 51.33 N ANISOU 59 N GLY A 680 5175 6291 8039 1069 -310 -2551 N ATOM 60 CA GLY A 680 -18.321 17.880 5.630 1.00 50.93 C ANISOU 60 CA GLY A 680 5061 6294 7995 1135 -275 -2561 C ATOM 61 C GLY A 680 -18.767 16.434 5.624 1.00 53.98 C ANISOU 61 C GLY A 680 5531 6951 8029 1162 -257 -2405 C ATOM 62 O GLY A 680 -18.157 15.590 6.284 1.00 53.36 O ANISOU 62 O GLY A 680 5484 7147 7646 1126 -242 -2436 O ATOM 0 H GLY A 680 -16.434 18.176 6.120 1.00 51.33 H new ATOM 0 HA2 GLY A 680 -18.562 18.308 6.466 1.00 50.93 H new ATOM 0 HA3 GLY A 680 -18.759 18.376 4.921 1.00 50.93 H new ATOM 63 N LYS A 681 -19.813 16.132 4.863 1.00 46.88 N ANISOU 63 N LYS A 681 4648 5985 7178 1224 -254 -2215 N ATOM 64 CA LYS A 681 -20.281 14.757 4.768 1.00 46.34 C ANISOU 64 CA LYS A 681 4637 6154 6816 1237 -228 -2061 C ATOM 65 C LYS A 681 -19.649 14.056 3.561 1.00 44.21 C ANISOU 65 C LYS A 681 4483 5787 6527 1227 -271 -1808 C ATOM 66 O LYS A 681 -20.063 12.966 3.162 1.00 42.10 O ANISOU 66 O LYS A 681 4251 5655 6091 1234 -253 -1651 O ATOM 67 CB LYS A 681 -21.810 14.718 4.691 1.00 54.20 C ANISOU 67 CB LYS A 681 5556 7190 7846 1297 -198 -2022 C ATOM 68 CG LYS A 681 -22.503 15.169 5.988 1.00 50.33 C ANISOU 68 CG LYS A 681 4947 6865 7311 1304 -146 -2277 C ATOM 69 CD LYS A 681 -24.009 15.030 5.901 1.00 52.43 C ANISOU 69 CD LYS A 681 5142 7187 7593 1363 -112 -2226 C ATOM 0 H LYS A 681 -20.260 16.701 4.399 1.00 46.88 H new ATOM 0 HA LYS A 681 -20.008 14.280 5.567 1.00 46.34 H new ATOM 0 HB2 LYS A 681 -22.104 15.286 3.962 1.00 54.20 H new ATOM 0 HB3 LYS A 681 -22.093 13.815 4.479 1.00 54.20 H new ATOM 0 HG2 LYS A 681 -22.172 14.641 6.732 1.00 50.33 H new ATOM 0 HG3 LYS A 681 -22.274 16.093 6.172 1.00 50.33 H new ATOM 70 N THR A 682 -18.618 14.664 2.991 1.00 42.83 N ANISOU 70 N THR A 682 4354 5389 6529 1199 -325 -1774 N ATOM 71 CA THR A 682 -18.047 14.101 1.775 1.00 41.17 C ANISOU 71 CA THR A 682 4252 5086 6304 1164 -378 -1508 C ATOM 72 C THR A 682 -16.726 13.402 2.032 1.00 39.74 C ANISOU 72 C THR A 682 4185 5010 5903 1076 -370 -1492 C ATOM 73 O THR A 682 -15.805 13.978 2.619 1.00 42.60 O ANISOU 73 O THR A 682 4524 5336 6324 1071 -376 -1678 O ATOM 74 CB THR A 682 -17.847 15.179 0.703 1.00 48.65 C ANISOU 74 CB THR A 682 5173 5714 7597 1180 -449 -1373 C ATOM 75 OG1 THR A 682 -19.101 15.828 0.449 1.00 53.11 O ANISOU 75 OG1 THR A 682 5631 6194 8355 1247 -449 -1325 O ATOM 76 CG2 THR A 682 -17.340 14.547 -0.593 1.00 44.15 C ANISOU 76 CG2 THR A 682 4725 5129 6920 1083 -499 -1046 C ATOM 0 H THR A 682 -18.243 15.382 3.280 1.00 42.83 H new ATOM 0 HA THR A 682 -18.685 13.443 1.456 1.00 41.17 H new ATOM 0 HB THR A 682 -17.194 15.823 1.019 1.00 48.65 H new ATOM 0 HG1 THR A 682 -19.694 15.249 0.312 1.00 53.11 H new ATOM 0 HG21 THR A 682 -17.217 15.237 -1.263 1.00 44.15 H new ATOM 0 HG22 THR A 682 -16.493 14.103 -0.427 1.00 44.15 H new ATOM 0 HG23 THR A 682 -17.987 13.899 -0.912 1.00 44.15 H new ATOM 77 N ILE A 683 -16.653 12.145 1.601 1.00 32.61 N ANISOU 77 N ILE A 683 3387 4237 4765 1005 -351 -1282 N ATOM 78 CA ILE A 683 -15.422 11.377 1.683 1.00 32.71 C ANISOU 78 CA ILE A 683 3503 4326 4598 928 -338 -1213 C ATOM 79 C ILE A 683 -14.797 11.316 0.303 1.00 35.20 C ANISOU 79 C ILE A 683 3914 4471 4989 851 -392 -995 C ATOM 80 O ILE A 683 -15.406 10.787 -0.633 1.00 39.07 O ANISOU 80 O ILE A 683 4431 4964 5451 812 -395 -820 O ATOM 81 CB ILE A 683 -15.654 9.941 2.187 1.00 32.59 C ANISOU 81 CB ILE A 683 3519 4555 4310 899 -256 -1127 C ATOM 82 CG1 ILE A 683 -16.362 9.939 3.535 1.00 38.12 C ANISOU 82 CG1 ILE A 683 4103 5486 4896 971 -196 -1306 C ATOM 83 CG2 ILE A 683 -14.329 9.173 2.257 1.00 31.71 C ANISOU 83 CG2 ILE A 683 3494 4496 4059 835 -237 -1033 C ATOM 84 CD1 ILE A 683 -16.592 8.546 4.085 1.00 36.38 C ANISOU 84 CD1 ILE A 683 3887 5502 4433 947 -104 -1173 C ATOM 0 H ILE A 683 -17.314 11.718 1.255 1.00 32.61 H new ATOM 0 HA ILE A 683 -14.839 11.820 2.319 1.00 32.71 H new ATOM 0 HB ILE A 683 -16.232 9.489 1.553 1.00 32.59 H new ATOM 0 HG12 ILE A 683 -15.836 10.449 4.171 1.00 38.12 H new ATOM 0 HG13 ILE A 683 -17.216 10.391 3.446 1.00 38.12 H new ATOM 0 HG21 ILE A 683 -14.494 8.272 2.576 1.00 31.71 H new ATOM 0 HG22 ILE A 683 -13.930 9.135 1.374 1.00 31.71 H new ATOM 0 HG23 ILE A 683 -13.724 9.625 2.866 1.00 31.71 H new ATOM 0 HD11 ILE A 683 -17.044 8.606 4.941 1.00 36.38 H new ATOM 0 HD12 ILE A 683 -17.140 8.040 3.465 1.00 36.38 H new ATOM 0 HD13 ILE A 683 -15.739 8.099 4.201 1.00 36.38 H new ATOM 85 N THR A 684 -13.591 11.862 0.169 1.00 32.65 N ANISOU 85 N THR A 684 3624 4029 4752 820 -432 -1017 N ATOM 86 CA THR A 684 -12.906 11.861 -1.120 1.00 35.55 C ANISOU 86 CA THR A 684 4066 4263 5177 743 -479 -810 C ATOM 87 C THR A 684 -11.704 10.953 -1.076 1.00 34.45 C ANISOU 87 C THR A 684 4022 4210 4857 669 -451 -759 C ATOM 88 O THR A 684 -10.857 11.081 -0.193 1.00 38.78 O ANISOU 88 O THR A 684 4562 4809 5363 679 -442 -893 O ATOM 89 CB THR A 684 -12.457 13.273 -1.535 1.00 42.00 C ANISOU 89 CB THR A 684 4832 4835 6292 759 -545 -821 C ATOM 90 OG1 THR A 684 -13.603 14.124 -1.634 1.00 36.65 O ANISOU 90 OG1 THR A 684 4044 4046 5833 842 -563 -838 O ATOM 91 CG2 THR A 684 -11.763 13.235 -2.890 1.00 42.28 C ANISOU 91 CG2 THR A 684 4927 4786 6353 674 -589 -573 C ATOM 0 H THR A 684 -13.154 12.236 0.809 1.00 32.65 H new ATOM 0 HA THR A 684 -13.541 11.538 -1.778 1.00 35.55 H new ATOM 0 HB THR A 684 -11.840 13.610 -0.867 1.00 42.00 H new ATOM 0 HG1 THR A 684 -13.360 14.896 -1.859 1.00 36.65 H new ATOM 0 HG21 THR A 684 -11.486 14.131 -3.137 1.00 42.28 H new ATOM 0 HG22 THR A 684 -10.984 12.659 -2.839 1.00 42.28 H new ATOM 0 HG23 THR A 684 -12.376 12.890 -3.558 1.00 42.28 H new ATOM 92 N VAL A 685 -11.634 10.034 -2.033 1.00 31.91 N ANISOU 92 N VAL A 685 3769 3923 4433 594 -433 -580 N ATOM 93 CA VAL A 685 -10.572 9.037 -2.078 1.00 29.91 C ANISOU 93 CA VAL A 685 3594 3735 4037 529 -387 -521 C ATOM 94 C VAL A 685 -9.884 9.062 -3.433 1.00 36.75 C ANISOU 94 C VAL A 685 4507 4518 4939 440 -422 -377 C ATOM 95 O VAL A 685 -10.529 9.096 -4.475 1.00 34.62 O ANISOU 95 O VAL A 685 4219 4244 4690 402 -445 -270 O ATOM 96 CB VAL A 685 -11.122 7.619 -1.805 1.00 34.63 C ANISOU 96 CB VAL A 685 4205 4474 4478 514 -291 -478 C ATOM 97 CG1 VAL A 685 -9.990 6.618 -1.664 1.00 30.87 C ANISOU 97 CG1 VAL A 685 3781 4039 3909 471 -228 -417 C ATOM 98 CG2 VAL A 685 -11.974 7.624 -0.539 1.00 39.88 C ANISOU 98 CG2 VAL A 685 4801 5261 5092 599 -255 -588 C ATOM 0 H VAL A 685 -12.202 9.971 -2.675 1.00 31.91 H new ATOM 0 HA VAL A 685 -9.931 9.257 -1.384 1.00 29.91 H new ATOM 0 HB VAL A 685 -11.672 7.355 -2.559 1.00 34.63 H new ATOM 0 HG11 VAL A 685 -10.357 5.736 -1.493 1.00 30.87 H new ATOM 0 HG12 VAL A 685 -9.471 6.599 -2.483 1.00 30.87 H new ATOM 0 HG13 VAL A 685 -9.418 6.878 -0.925 1.00 30.87 H new ATOM 0 HG21 VAL A 685 -12.315 6.731 -0.375 1.00 39.88 H new ATOM 0 HG22 VAL A 685 -11.432 7.906 0.215 1.00 39.88 H new ATOM 0 HG23 VAL A 685 -12.717 8.238 -0.651 1.00 39.88 H new ATOM 99 N GLU A 686 -8.563 9.056 -3.420 1.00 34.84 N ANISOU 99 N GLU A 686 4307 4245 4686 404 -427 -371 N ATOM 100 CA GLU A 686 -7.816 9.109 -4.659 1.00 38.13 C ANISOU 100 CA GLU A 686 4755 4610 5123 316 -453 -242 C ATOM 101 C GLU A 686 -6.673 8.108 -4.600 1.00 35.18 C ANISOU 101 C GLU A 686 4438 4292 4637 267 -392 -230 C ATOM 102 O GLU A 686 -5.871 8.152 -3.666 1.00 26.82 O ANISOU 102 O GLU A 686 3382 3247 3562 303 -385 -303 O ATOM 103 CB GLU A 686 -7.290 10.527 -4.891 1.00 42.41 C ANISOU 103 CB GLU A 686 5262 4999 5854 323 -536 -226 C ATOM 104 CG GLU A 686 -6.219 10.620 -5.953 1.00 57.47 C ANISOU 104 CG GLU A 686 7193 6877 7768 232 -558 -91 C ATOM 105 CD GLU A 686 -6.750 11.182 -7.254 1.00 65.39 C ANISOU 105 CD GLU A 686 8142 7866 8839 193 -609 100 C ATOM 106 OE1 GLU A 686 -7.752 11.930 -7.209 1.00 71.21 O ANISOU 106 OE1 GLU A 686 8811 8537 9710 257 -647 128 O ATOM 107 OE2 GLU A 686 -6.169 10.870 -8.316 1.00 62.81 O1+ ANISOU 107 OE2 GLU A 686 7821 7618 8425 102 -606 229 O1+ ATOM 0 H GLU A 686 -8.082 9.022 -2.708 1.00 34.84 H new ATOM 0 HA GLU A 686 -8.395 8.877 -5.402 1.00 38.13 H new ATOM 0 HB2 GLU A 686 -8.031 11.100 -5.142 1.00 42.41 H new ATOM 0 HB3 GLU A 686 -6.935 10.871 -4.056 1.00 42.41 H new ATOM 0 HG2 GLU A 686 -5.495 11.181 -5.632 1.00 57.47 H new ATOM 0 HG3 GLU A 686 -5.846 9.739 -6.112 1.00 57.47 H new ATOM 108 N SER A 687 -6.602 7.201 -5.575 1.00 31.56 N ANISOU 108 N SER A 687 4003 3885 4106 186 -341 -152 N ATOM 109 CA SER A 687 -5.489 6.245 -5.665 1.00 26.76 C ANISOU 109 CA SER A 687 3431 3301 3437 141 -270 -140 C ATOM 110 C SER A 687 -5.415 5.616 -7.062 1.00 29.02 C ANISOU 110 C SER A 687 3713 3634 3679 30 -230 -92 C ATOM 111 O SER A 687 -6.137 4.669 -7.372 1.00 23.28 O ANISOU 111 O SER A 687 2969 2963 2915 -9 -154 -123 O ATOM 112 CB SER A 687 -5.622 5.149 -4.605 1.00 28.17 C ANISOU 112 CB SER A 687 3609 3528 3567 195 -173 -172 C ATOM 113 OG SER A 687 -4.477 4.305 -4.587 1.00 27.27 O ANISOU 113 OG SER A 687 3509 3413 3440 174 -102 -137 O ATOM 0 H SER A 687 -7.189 7.120 -6.198 1.00 31.56 H new ATOM 0 HA SER A 687 -4.668 6.736 -5.503 1.00 26.76 H new ATOM 0 HB2 SER A 687 -5.742 5.554 -3.732 1.00 28.17 H new ATOM 0 HB3 SER A 687 -6.414 4.619 -4.783 1.00 28.17 H new ATOM 0 HG SER A 687 -3.859 4.680 -4.160 1.00 27.27 H new ATOM 114 N PRO A 688 -4.531 6.148 -7.913 1.00 33.68 N ANISOU 114 N PRO A 688 4302 4221 4274 -33 -276 -31 N ATOM 115 CA PRO A 688 -4.471 5.690 -9.308 1.00 29.02 C ANISOU 115 CA PRO A 688 3679 3740 3607 -148 -246 -1 C ATOM 116 C PRO A 688 -4.149 4.194 -9.412 1.00 24.23 C ANISOU 116 C PRO A 688 3075 3163 2967 -197 -109 -97 C ATOM 117 O PRO A 688 -3.293 3.715 -8.664 1.00 28.13 O ANISOU 117 O PRO A 688 3602 3581 3506 -151 -55 -115 O ATOM 118 CB PRO A 688 -3.351 6.551 -9.911 1.00 27.97 C ANISOU 118 CB PRO A 688 3539 3596 3492 -191 -310 94 C ATOM 119 CG PRO A 688 -3.239 7.737 -9.004 1.00 34.64 C ANISOU 119 CG PRO A 688 4398 4300 4465 -102 -396 119 C ATOM 120 CD PRO A 688 -3.550 7.208 -7.630 1.00 29.29 C ANISOU 120 CD PRO A 688 3755 3581 3793 -10 -351 1 C ATOM 0 HA PRO A 688 -5.319 5.787 -9.769 1.00 29.02 H new ATOM 0 HB2 PRO A 688 -2.515 6.061 -9.952 1.00 27.97 H new ATOM 0 HB3 PRO A 688 -3.566 6.822 -10.817 1.00 27.97 H new ATOM 0 HG2 PRO A 688 -2.350 8.123 -9.039 1.00 34.64 H new ATOM 0 HG3 PRO A 688 -3.861 8.435 -9.261 1.00 34.64 H new ATOM 0 HD2 PRO A 688 -2.759 6.860 -7.189 1.00 29.29 H new ATOM 0 HD3 PRO A 688 -3.917 7.896 -7.053 1.00 29.29 H new ATOM 121 N ALA A 689 -4.865 3.490 -10.292 1.00 29.03 N ANISOU 121 N ALA A 689 3630 3884 3517 -285 -51 -162 N ATOM 122 CA ALA A 689 -4.713 2.043 -10.521 1.00 30.13 C ANISOU 122 CA ALA A 689 3741 4025 3681 -349 101 -293 C ATOM 123 C ALA A 689 -5.109 1.191 -9.320 1.00 30.27 C ANISOU 123 C ALA A 689 3781 3911 3810 -267 193 -320 C ATOM 124 O ALA A 689 -4.534 0.128 -9.102 1.00 40.18 O ANISOU 124 O ALA A 689 5023 5081 5164 -270 321 -365 O ATOM 125 CB ALA A 689 -3.284 1.713 -10.922 1.00 25.63 C ANISOU 125 CB ALA A 689 3172 3440 3125 -391 153 -312 C ATOM 0 H ALA A 689 -5.470 3.848 -10.787 1.00 29.03 H new ATOM 0 HA ALA A 689 -5.325 1.824 -11.241 1.00 30.13 H new ATOM 0 HB1 ALA A 689 -3.201 0.758 -11.069 1.00 25.63 H new ATOM 0 HB2 ALA A 689 -3.059 2.186 -11.739 1.00 25.63 H new ATOM 0 HB3 ALA A 689 -2.678 1.985 -10.215 1.00 25.63 H new ATOM 126 N ALA A 690 -6.073 1.646 -8.532 1.00 29.35 N ANISOU 126 N ALA A 690 3679 3781 3691 -188 138 -277 N ATOM 127 CA ALA A 690 -6.482 0.875 -7.357 1.00 21.55 C ANISOU 127 CA ALA A 690 2692 2712 2785 -110 226 -269 C ATOM 128 C ALA A 690 -7.986 0.693 -7.345 1.00 28.74 C ANISOU 128 C ALA A 690 3561 3670 3689 -126 240 -314 C ATOM 129 O ALA A 690 -8.728 1.518 -7.913 1.00 29.44 O ANISOU 129 O ALA A 690 3632 3854 3700 -150 140 -319 O ATOM 130 CB ALA A 690 -6.015 1.558 -6.062 1.00 22.92 C ANISOU 130 CB ALA A 690 2907 2856 2947 19 159 -180 C ATOM 0 H ALA A 690 -6.498 2.384 -8.652 1.00 29.35 H new ATOM 0 HA ALA A 690 -6.062 0.002 -7.406 1.00 21.55 H new ATOM 0 HB1 ALA A 690 -6.297 1.031 -5.298 1.00 22.92 H new ATOM 0 HB2 ALA A 690 -5.048 1.631 -6.065 1.00 22.92 H new ATOM 0 HB3 ALA A 690 -6.406 2.444 -6.004 1.00 22.92 H new ATOM 131 N GLY A 691 -8.428 -0.392 -6.709 1.00 29.28 N ANISOU 131 N GLY A 691 3597 3673 3855 -112 369 -324 N ATOM 132 CA GLY A 691 -9.838 -0.619 -6.453 1.00 29.35 C ANISOU 132 CA GLY A 691 3559 3719 3872 -115 395 -353 C ATOM 133 C GLY A 691 -10.194 -0.035 -5.095 1.00 27.52 C ANISOU 133 C GLY A 691 3349 3504 3603 21 340 -256 C ATOM 134 O GLY A 691 -9.579 -0.371 -4.076 1.00 28.50 O ANISOU 134 O GLY A 691 3479 3592 3757 102 389 -164 O ATOM 0 H GLY A 691 -7.913 -1.015 -6.416 1.00 29.28 H new ATOM 0 HA2 GLY A 691 -10.375 -0.206 -7.147 1.00 29.35 H new ATOM 0 HA3 GLY A 691 -10.033 -1.569 -6.471 1.00 29.35 H new ATOM 135 N LEU A 692 -11.177 0.858 -5.063 1.00 26.40 N ANISOU 135 N LEU A 692 3196 3444 3390 49 241 -276 N ATOM 136 CA LEU A 692 -11.554 1.499 -3.803 1.00 27.88 C ANISOU 136 CA LEU A 692 3383 3672 3537 173 192 -236 C ATOM 137 C LEU A 692 -12.887 0.961 -3.326 1.00 35.89 C ANISOU 137 C LEU A 692 4333 4738 4567 181 262 -245 C ATOM 138 O LEU A 692 -13.780 0.746 -4.137 1.00 31.38 O ANISOU 138 O LEU A 692 3720 4193 4011 100 272 -306 O ATOM 139 CB LEU A 692 -11.634 3.013 -3.978 1.00 23.84 C ANISOU 139 CB LEU A 692 2888 3184 2985 219 38 -261 C ATOM 140 CG LEU A 692 -10.408 3.624 -4.653 1.00 29.38 C ANISOU 140 CG LEU A 692 3640 3832 3690 189 -33 -240 C ATOM 141 CD1 LEU A 692 -10.642 5.091 -4.917 1.00 32.81 C ANISOU 141 CD1 LEU A 692 4064 4252 4149 227 -167 -239 C ATOM 142 CD2 LEU A 692 -9.180 3.424 -3.783 1.00 26.31 C ANISOU 142 CD2 LEU A 692 3285 3416 3297 240 -5 -213 C ATOM 0 H LEU A 692 -11.634 1.106 -5.748 1.00 26.40 H new ATOM 0 HA LEU A 692 -10.876 1.299 -3.139 1.00 27.88 H new ATOM 0 HB2 LEU A 692 -12.421 3.228 -4.502 1.00 23.84 H new ATOM 0 HB3 LEU A 692 -11.752 3.424 -3.108 1.00 23.84 H new ATOM 0 HG LEU A 692 -10.257 3.179 -5.502 1.00 29.38 H new ATOM 0 HD11 LEU A 692 -9.859 5.472 -5.346 1.00 32.81 H new ATOM 0 HD12 LEU A 692 -11.412 5.197 -5.498 1.00 32.81 H new ATOM 0 HD13 LEU A 692 -10.805 5.549 -4.078 1.00 32.81 H new ATOM 0 HD21 LEU A 692 -8.407 3.815 -4.219 1.00 26.31 H new ATOM 0 HD22 LEU A 692 -9.318 3.854 -2.924 1.00 26.31 H new ATOM 0 HD23 LEU A 692 -9.029 2.475 -3.649 1.00 26.31 H new ATOM 143 N THR A 693 -13.024 0.760 -2.017 1.00 28.22 N ANISOU 143 N THR A 693 3333 3815 3574 272 308 -182 N ATOM 144 CA THR A 693 -14.285 0.324 -1.428 1.00 26.22 C ANISOU 144 CA THR A 693 3006 3631 3325 288 376 -172 C ATOM 145 C THR A 693 -14.560 1.126 -0.166 1.00 30.76 C ANISOU 145 C THR A 693 3550 4344 3793 411 321 -171 C ATOM 146 O THR A 693 -13.640 1.432 0.590 1.00 29.04 O ANISOU 146 O THR A 693 3344 4179 3511 479 295 -138 O ATOM 147 CB THR A 693 -14.260 -1.181 -1.066 1.00 31.10 C ANISOU 147 CB THR A 693 3572 4191 4054 252 553 -64 C ATOM 148 OG1 THR A 693 -13.687 -1.926 -2.147 1.00 38.36 O ANISOU 148 OG1 THR A 693 4510 4966 5097 142 619 -103 O ATOM 149 CG2 THR A 693 -15.657 -1.692 -0.779 1.00 27.27 C ANISOU 149 CG2 THR A 693 3001 3754 3605 228 632 -63 C ATOM 0 H THR A 693 -12.389 0.873 -1.448 1.00 28.22 H new ATOM 0 HA THR A 693 -14.983 0.469 -2.086 1.00 26.22 H new ATOM 0 HB THR A 693 -13.722 -1.296 -0.267 1.00 31.10 H new ATOM 0 HG1 THR A 693 -13.023 -2.358 -1.869 1.00 38.36 H new ATOM 0 HG21 THR A 693 -15.617 -2.635 -0.555 1.00 27.27 H new ATOM 0 HG22 THR A 693 -16.036 -1.199 -0.034 1.00 27.27 H new ATOM 0 HG23 THR A 693 -16.214 -1.570 -1.564 1.00 27.27 H new ATOM 150 N ILE A 694 -15.818 1.483 0.056 1.00 28.06 N ANISOU 150 N ILE A 694 3150 4084 3426 435 304 -229 N ATOM 151 CA ILE A 694 -16.227 2.059 1.334 1.00 27.29 C ANISOU 151 CA ILE A 694 2991 4150 3229 544 286 -258 C ATOM 152 C ILE A 694 -17.244 1.148 1.992 1.00 31.71 C ANISOU 152 C ILE A 694 3458 4814 3776 543 408 -181 C ATOM 153 O ILE A 694 -18.244 0.766 1.363 1.00 28.45 O ANISOU 153 O ILE A 694 3016 4358 3435 475 443 -202 O ATOM 154 CB ILE A 694 -16.832 3.448 1.160 1.00 27.57 C ANISOU 154 CB ILE A 694 3012 4195 3268 596 163 -408 C ATOM 155 CG1 ILE A 694 -15.806 4.370 0.493 1.00 31.23 C ANISOU 155 CG1 ILE A 694 3552 4532 3782 591 53 -453 C ATOM 156 CG2 ILE A 694 -17.290 4.006 2.513 1.00 31.82 C ANISOU 156 CG2 ILE A 694 3460 4918 3710 702 164 -495 C ATOM 157 CD1 ILE A 694 -16.202 5.803 0.498 1.00 28.70 C ANISOU 157 CD1 ILE A 694 3198 4183 3524 660 -54 -579 C ATOM 0 H ILE A 694 -16.452 1.401 -0.519 1.00 28.06 H new ATOM 0 HA ILE A 694 -15.437 2.144 1.891 1.00 27.29 H new ATOM 0 HB ILE A 694 -17.614 3.392 0.589 1.00 27.57 H new ATOM 0 HG12 ILE A 694 -14.954 4.276 0.947 1.00 31.23 H new ATOM 0 HG13 ILE A 694 -15.672 4.083 -0.424 1.00 31.23 H new ATOM 0 HG21 ILE A 694 -17.672 4.889 2.387 1.00 31.82 H new ATOM 0 HG22 ILE A 694 -17.958 3.417 2.897 1.00 31.82 H new ATOM 0 HG23 ILE A 694 -16.530 4.066 3.113 1.00 31.82 H new ATOM 0 HD11 ILE A 694 -15.514 6.331 0.063 1.00 28.70 H new ATOM 0 HD12 ILE A 694 -17.040 5.909 0.021 1.00 28.70 H new ATOM 0 HD13 ILE A 694 -16.311 6.106 1.413 1.00 28.70 H new ATOM 158 N PHE A 695 -16.976 0.784 3.246 1.00 32.43 N ANISOU 158 N PHE A 695 3483 5067 3770 610 474 -78 N ATOM 159 CA PHE A 695 -17.875 -0.055 4.033 1.00 25.94 C ANISOU 159 CA PHE A 695 2551 4379 2926 617 599 42 C ATOM 160 C PHE A 695 -18.514 0.785 5.112 1.00 31.04 C ANISOU 160 C PHE A 695 3105 5285 3404 713 558 -57 C ATOM 161 O PHE A 695 -17.832 1.613 5.706 1.00 34.80 O ANISOU 161 O PHE A 695 3577 5885 3761 784 481 -150 O ATOM 162 CB PHE A 695 -17.124 -1.227 4.701 1.00 31.70 C ANISOU 162 CB PHE A 695 3231 5142 3671 625 728 296 C ATOM 163 CG PHE A 695 -16.554 -2.216 3.732 1.00 34.01 C ANISOU 163 CG PHE A 695 3582 5165 4177 532 806 382 C ATOM 164 CD1 PHE A 695 -15.239 -2.107 3.304 1.00 37.56 C ANISOU 164 CD1 PHE A 695 4114 5506 4652 531 760 385 C ATOM 165 CD2 PHE A 695 -17.341 -3.250 3.235 1.00 31.26 C ANISOU 165 CD2 PHE A 695 3188 4671 4018 437 935 430 C ATOM 166 CE1 PHE A 695 -14.710 -3.015 2.392 1.00 40.61 C ANISOU 166 CE1 PHE A 695 4536 5649 5243 444 844 428 C ATOM 167 CE2 PHE A 695 -16.816 -4.161 2.327 1.00 36.74 C ANISOU 167 CE2 PHE A 695 3912 5113 4934 341 1023 451 C ATOM 168 CZ PHE A 695 -15.503 -4.044 1.908 1.00 32.64 C ANISOU 168 CZ PHE A 695 3474 4495 4433 349 979 447 C ATOM 0 H PHE A 695 -16.263 1.019 3.665 1.00 32.43 H new ATOM 0 HA PHE A 695 -18.544 -0.422 3.434 1.00 25.94 H new ATOM 0 HB2 PHE A 695 -16.405 -0.870 5.245 1.00 31.70 H new ATOM 0 HB3 PHE A 695 -17.731 -1.688 5.300 1.00 31.70 H new ATOM 0 HD1 PHE A 695 -14.705 -1.419 3.630 1.00 37.56 H new ATOM 0 HD2 PHE A 695 -18.225 -3.332 3.513 1.00 31.26 H new ATOM 0 HE1 PHE A 695 -13.828 -2.932 2.108 1.00 40.61 H new ATOM 0 HE2 PHE A 695 -17.348 -4.850 2.000 1.00 36.74 H new ATOM 0 HZ PHE A 695 -15.152 -4.656 1.302 1.00 32.64 H new ATOM 169 N ASP A 696 -19.798 0.567 5.390 1.00 29.48 N ANISOU 169 N ASP A 696 2818 5184 3200 710 617 -61 N ATOM 170 CA ASP A 696 -20.420 1.258 6.512 1.00 26.54 C ANISOU 170 CA ASP A 696 2330 5095 2659 802 603 -162 C ATOM 171 C ASP A 696 -20.236 0.384 7.757 1.00 37.68 C ANISOU 171 C ASP A 696 3619 6772 3925 834 724 63 C ATOM 172 O ASP A 696 -19.634 -0.691 7.682 1.00 33.98 O ANISOU 172 O ASP A 696 3161 6216 3532 794 814 307 O ATOM 173 CB ASP A 696 -21.909 1.588 6.257 1.00 36.60 C ANISOU 173 CB ASP A 696 3545 6380 3980 797 599 -285 C ATOM 174 CG ASP A 696 -22.828 0.350 6.214 1.00 39.15 C ANISOU 174 CG ASP A 696 3798 6705 4374 722 739 -111 C ATOM 175 OD1 ASP A 696 -22.427 -0.762 6.617 1.00 37.30 O ANISOU 175 OD1 ASP A 696 3531 6487 4154 689 859 121 O ATOM 176 OD2 ASP A 696 -23.993 0.504 5.781 1.00 37.79 O1+ ANISOU 176 OD2 ASP A 696 3584 6511 4263 695 734 -203 O1+ ATOM 0 H ASP A 696 -20.314 0.036 4.952 1.00 29.48 H new ATOM 0 HA ASP A 696 -19.990 2.118 6.639 1.00 26.54 H new ATOM 0 HB2 ASP A 696 -22.222 2.187 6.953 1.00 36.60 H new ATOM 0 HB3 ASP A 696 -21.985 2.065 5.416 1.00 36.60 H new ATOM 177 N MET A 697 -20.775 0.843 8.878 1.00 43.04 N ANISOU 177 N MET A 697 4176 7762 4417 899 722 -10 N ATOM 178 CA MET A 697 -20.596 0.190 10.174 1.00 43.84 C ANISOU 178 CA MET A 697 4183 8117 4358 908 768 207 C ATOM 179 C MET A 697 -21.205 -1.221 10.259 1.00 42.88 C ANISOU 179 C MET A 697 4008 7938 4346 849 913 516 C ATOM 180 O MET A 697 -20.812 -2.022 11.117 1.00 47.97 O ANISOU 180 O MET A 697 4584 8716 4927 859 961 787 O ATOM 181 CB MET A 697 -21.192 1.074 11.265 1.00 45.78 C ANISOU 181 CB MET A 697 4335 8652 4409 951 691 12 C ATOM 182 CG MET A 697 -22.662 1.405 11.039 1.00 50.09 C ANISOU 182 CG MET A 697 4851 9158 5023 940 703 -137 C ATOM 183 SD MET A 697 -23.256 2.715 12.127 1.00101.51 S ANISOU 183 SD MET A 697 11260 15946 11366 992 602 -453 S ATOM 184 CE MET A 697 -24.837 3.102 11.373 1.00 81.35 C ANISOU 184 CE MET A 697 8707 13219 8984 986 617 -606 C ATOM 0 H MET A 697 -21.262 1.551 8.911 1.00 43.04 H new ATOM 0 HA MET A 697 -19.641 0.075 10.296 1.00 43.84 H new ATOM 0 HB2 MET A 697 -21.095 0.629 12.121 1.00 45.78 H new ATOM 0 HB3 MET A 697 -20.685 1.900 11.316 1.00 45.78 H new ATOM 0 HG2 MET A 697 -22.791 1.673 10.116 1.00 50.09 H new ATOM 0 HG3 MET A 697 -23.195 0.607 11.180 1.00 50.09 H new ATOM 0 HE1 MET A 697 -25.270 3.810 11.875 1.00 81.35 H new ATOM 0 HE2 MET A 697 -24.697 3.394 10.459 1.00 81.35 H new ATOM 0 HE3 MET A 697 -25.400 2.312 11.377 1.00 81.35 H new ATOM 185 N ASN A 698 -22.166 -1.519 9.387 1.00 36.46 N ANISOU 185 N ASN A 698 3210 6928 3714 788 976 477 N ATOM 186 CA ASN A 698 -22.742 -2.862 9.298 1.00 36.98 C ANISOU 186 CA ASN A 698 3225 6870 3955 708 1123 727 C ATOM 187 C ASN A 698 -21.942 -3.810 8.391 1.00 38.98 C ANISOU 187 C ASN A 698 3539 6815 4457 642 1213 884 C ATOM 188 O ASN A 698 -22.335 -4.961 8.186 1.00 45.64 O ANISOU 188 O ASN A 698 4343 7478 5519 558 1342 1057 O ATOM 189 CB ASN A 698 -24.185 -2.774 8.809 1.00 37.28 C ANISOU 189 CB ASN A 698 3226 6860 4080 654 1152 587 C ATOM 190 CG ASN A 698 -25.131 -2.309 9.896 1.00 49.51 C ANISOU 190 CG ASN A 698 4682 8689 5440 699 1119 527 C ATOM 191 OD1 ASN A 698 -24.724 -1.603 10.823 1.00 42.97 O ANISOU 191 OD1 ASN A 698 3832 8102 4393 778 1032 461 O ATOM 192 ND2 ASN A 698 -26.392 -2.716 9.801 1.00 50.22 N ANISOU 192 ND2 ASN A 698 4703 8762 5616 641 1191 535 N ATOM 0 H ASN A 698 -22.502 -0.953 8.833 1.00 36.46 H new ATOM 0 HA ASN A 698 -22.709 -3.238 10.191 1.00 36.98 H new ATOM 0 HB2 ASN A 698 -24.233 -2.163 8.057 1.00 37.28 H new ATOM 0 HB3 ASN A 698 -24.469 -3.644 8.486 1.00 37.28 H new ATOM 0 HD21 ASN A 698 -26.964 -2.488 10.401 1.00 50.22 H new ATOM 0 HD22 ASN A 698 -26.636 -3.207 9.139 1.00 50.22 H new ATOM 193 N GLY A 699 -20.822 -3.327 7.865 1.00 29.57 N ANISOU 193 N GLY A 699 2435 5548 3253 675 1148 807 N ATOM 194 CA GLY A 699 -19.994 -4.123 6.974 1.00 28.32 C ANISOU 194 CA GLY A 699 2363 5060 3337 603 1198 900 C ATOM 195 C GLY A 699 -20.526 -4.159 5.537 1.00 40.17 C ANISOU 195 C GLY A 699 3959 6263 5042 483 1175 687 C ATOM 196 O GLY A 699 -20.050 -4.949 4.724 1.00 36.49 O ANISOU 196 O GLY A 699 3536 5527 4801 398 1245 723 O ATOM 0 H GLY A 699 -20.524 -2.534 8.014 1.00 29.57 H new ATOM 0 HA2 GLY A 699 -19.093 -3.764 6.971 1.00 28.32 H new ATOM 0 HA3 GLY A 699 -19.938 -5.029 7.316 1.00 28.32 H new ATOM 197 N ARG A 700 -21.506 -3.310 5.219 1.00 35.45 N ANISOU 197 N ARG A 700 3372 5734 4362 478 1081 461 N ATOM 198 CA ARG A 700 -22.058 -3.249 3.859 1.00 33.14 C ANISOU 198 CA ARG A 700 3139 5242 4211 368 1041 270 C ATOM 199 C ARG A 700 -21.205 -2.407 2.921 1.00 35.04 C ANISOU 199 C ARG A 700 3517 5366 4428 368 892 110 C ATOM 200 O ARG A 700 -20.730 -1.332 3.298 1.00 31.91 O ANISOU 200 O ARG A 700 3167 5075 3883 466 770 40 O ATOM 201 CB ARG A 700 -23.481 -2.682 3.871 1.00 31.10 C ANISOU 201 CB ARG A 700 2810 5121 3886 372 999 131 C ATOM 202 CG ARG A 700 -24.440 -3.357 4.852 1.00 42.43 C ANISOU 202 CG ARG A 700 4092 6716 5313 376 1138 276 C ATOM 203 CD ARG A 700 -24.787 -4.770 4.417 1.00 48.09 C ANISOU 203 CD ARG A 700 4745 7239 6287 236 1310 392 C ATOM 204 NE ARG A 700 -25.535 -4.797 3.162 1.00 53.30 N ANISOU 204 NE ARG A 700 5414 7772 7067 111 1280 181 N ATOM 0 H ARG A 700 -21.866 -2.761 5.774 1.00 35.45 H new ATOM 0 HA ARG A 700 -22.066 -4.162 3.531 1.00 33.14 H new ATOM 0 HB2 ARG A 700 -23.436 -1.737 4.083 1.00 31.10 H new ATOM 0 HB3 ARG A 700 -23.851 -2.755 2.977 1.00 31.10 H new ATOM 0 HG2 ARG A 700 -24.038 -3.380 5.734 1.00 42.43 H new ATOM 0 HG3 ARG A 700 -25.252 -2.832 4.924 1.00 42.43 H new ATOM 0 HD2 ARG A 700 -23.971 -5.284 4.316 1.00 48.09 H new ATOM 0 HD3 ARG A 700 -25.309 -5.201 5.112 1.00 48.09 H new ATOM 205 N ARG A 701 -21.028 -2.890 1.691 1.00 35.79 N ANISOU 205 N ARG A 701 3661 5260 4679 249 909 40 N ATOM 206 CA ARG A 701 -20.388 -2.109 0.635 1.00 38.23 C ANISOU 206 CA ARG A 701 4078 5489 4960 229 771 -101 C ATOM 207 C ARG A 701 -21.323 -1.004 0.176 1.00 37.00 C ANISOU 207 C ARG A 701 3909 5431 4718 249 637 -249 C ATOM 208 O ARG A 701 -22.333 -1.276 -0.464 1.00 48.20 O ANISOU 208 O ARG A 701 5262 6867 6187 165 657 -322 O ATOM 209 CB ARG A 701 -20.017 -2.996 -0.557 1.00 38.65 C ANISOU 209 CB ARG A 701 4150 5357 5180 84 842 -153 C ATOM 210 CG ARG A 701 -18.618 -3.566 -0.526 1.00 47.02 C ANISOU 210 CG ARG A 701 5266 6275 6325 86 902 -57 C ATOM 211 CD ARG A 701 -18.396 -4.515 -1.697 1.00 50.83 C ANISOU 211 CD ARG A 701 5733 6580 6999 -68 999 -159 C ATOM 212 NE ARG A 701 -19.486 -5.482 -1.772 1.00 62.50 N ANISOU 212 NE ARG A 701 7093 8013 8641 -172 1142 -194 N ATOM 213 CZ ARG A 701 -19.873 -6.096 -2.885 1.00 63.72 C ANISOU 213 CZ ARG A 701 7189 8093 8929 -334 1206 -384 C ATOM 214 NH1 ARG A 701 -20.887 -6.957 -2.846 1.00 55.52 N1+ ANISOU 214 NH1 ARG A 701 6026 7012 8056 -433 1342 -425 N1+ ATOM 215 NH2 ARG A 701 -19.248 -5.846 -4.033 1.00 62.45 N ANISOU 215 NH2 ARG A 701 7076 7924 8727 -408 1138 -545 N ATOM 0 H ARG A 701 -21.275 -3.677 1.447 1.00 35.79 H new ATOM 0 HA ARG A 701 -19.574 -1.722 0.994 1.00 38.23 H new ATOM 0 HB2 ARG A 701 -20.649 -3.731 -0.604 1.00 38.65 H new ATOM 0 HB3 ARG A 701 -20.122 -2.479 -1.371 1.00 38.65 H new ATOM 0 HG2 ARG A 701 -17.970 -2.845 -0.560 1.00 47.02 H new ATOM 0 HG3 ARG A 701 -18.474 -4.037 0.310 1.00 47.02 H new ATOM 0 HD2 ARG A 701 -18.343 -4.012 -2.525 1.00 50.83 H new ATOM 0 HD3 ARG A 701 -17.550 -4.978 -1.592 1.00 50.83 H new ATOM 0 HE ARG A 701 -19.907 -5.667 -1.045 1.00 62.50 H new ATOM 0 HH11 ARG A 701 -21.289 -7.114 -2.102 1.00 55.52 H new ATOM 0 HH12 ARG A 701 -21.140 -7.356 -3.565 1.00 55.52 H new ATOM 0 HH21 ARG A 701 -18.594 -5.288 -4.054 1.00 62.45 H new ATOM 0 HH22 ARG A 701 -19.498 -6.243 -4.754 1.00 62.45 H new ATOM 216 N VAL A 702 -20.997 0.243 0.486 1.00 31.34 N ANISOU 216 N VAL A 702 3236 4777 3894 360 506 -297 N ATOM 217 CA VAL A 702 -21.903 1.325 0.126 1.00 29.83 C ANISOU 217 CA VAL A 702 3008 4653 3674 402 391 -408 C ATOM 218 C VAL A 702 -21.434 1.983 -1.175 1.00 29.48 C ANISOU 218 C VAL A 702 3026 4516 3659 360 272 -453 C ATOM 219 O VAL A 702 -22.213 2.654 -1.852 1.00 29.86 O ANISOU 219 O VAL A 702 3023 4607 3717 363 187 -498 O ATOM 220 CB VAL A 702 -22.028 2.359 1.250 1.00 31.91 C ANISOU 220 CB VAL A 702 3238 5030 3855 548 336 -462 C ATOM 221 CG1 VAL A 702 -22.545 1.680 2.528 1.00 35.48 C ANISOU 221 CG1 VAL A 702 3599 5647 4234 582 458 -400 C ATOM 222 CG2 VAL A 702 -20.704 3.054 1.525 1.00 32.67 C ANISOU 222 CG2 VAL A 702 3418 5075 3921 609 264 -480 C ATOM 0 H VAL A 702 -20.278 0.481 0.893 1.00 31.34 H new ATOM 0 HA VAL A 702 -22.786 0.948 -0.011 1.00 29.83 H new ATOM 0 HB VAL A 702 -22.661 3.036 0.963 1.00 31.91 H new ATOM 0 HG11 VAL A 702 -22.622 2.339 3.236 1.00 35.48 H new ATOM 0 HG12 VAL A 702 -23.415 1.287 2.356 1.00 35.48 H new ATOM 0 HG13 VAL A 702 -21.925 0.986 2.799 1.00 35.48 H new ATOM 0 HG21 VAL A 702 -20.820 3.700 2.240 1.00 32.67 H new ATOM 0 HG22 VAL A 702 -20.042 2.396 1.788 1.00 32.67 H new ATOM 0 HG23 VAL A 702 -20.405 3.510 0.723 1.00 32.67 H new ATOM 223 N ALA A 703 -20.171 1.761 -1.521 1.00 24.43 N ANISOU 223 N ALA A 703 2478 3771 3032 324 271 -416 N ATOM 224 CA ALA A 703 -19.610 2.287 -2.769 1.00 28.44 C ANISOU 224 CA ALA A 703 3035 4219 3552 271 172 -432 C ATOM 225 C ALA A 703 -18.300 1.602 -3.117 1.00 33.54 C ANISOU 225 C ALA A 703 3761 4762 4219 202 223 -399 C ATOM 226 O ALA A 703 -17.545 1.190 -2.236 1.00 33.09 O ANISOU 226 O ALA A 703 3741 4663 4167 247 288 -343 O ATOM 227 CB ALA A 703 -19.394 3.795 -2.672 1.00 27.31 C ANISOU 227 CB ALA A 703 2909 4058 3410 382 33 -444 C ATOM 0 H ALA A 703 -19.616 1.306 -1.047 1.00 24.43 H new ATOM 0 HA ALA A 703 -20.250 2.104 -3.475 1.00 28.44 H new ATOM 0 HB1 ALA A 703 -19.023 4.123 -3.506 1.00 27.31 H new ATOM 0 HB2 ALA A 703 -20.242 4.233 -2.501 1.00 27.31 H new ATOM 0 HB3 ALA A 703 -18.779 3.988 -1.947 1.00 27.31 H new ATOM 228 N THR A 704 -18.043 1.488 -4.419 1.00 27.88 N ANISOU 228 N THR A 704 3050 4036 3506 96 195 -428 N ATOM 229 CA THR A 704 -16.779 0.989 -4.946 1.00 26.57 C ANISOU 229 CA THR A 704 2948 3783 3363 27 232 -423 C ATOM 230 C THR A 704 -16.476 1.769 -6.220 1.00 27.48 C ANISOU 230 C THR A 704 3066 3955 3420 -24 114 -430 C ATOM 231 O THR A 704 -17.395 2.228 -6.900 1.00 28.34 O ANISOU 231 O THR A 704 3098 4187 3483 -50 45 -439 O ATOM 232 CB THR A 704 -16.799 -0.536 -5.270 1.00 36.46 C ANISOU 232 CB THR A 704 4159 4984 4709 -99 396 -480 C ATOM 233 OG1 THR A 704 -17.517 -0.771 -6.488 1.00 37.34 O ANISOU 233 OG1 THR A 704 4187 5202 4798 -233 392 -598 O ATOM 234 CG2 THR A 704 -17.419 -1.361 -4.126 1.00 38.07 C ANISOU 234 CG2 THR A 704 4317 5152 4997 -63 525 -430 C ATOM 0 H THR A 704 -18.609 1.703 -5.029 1.00 27.88 H new ATOM 0 HA THR A 704 -16.099 1.113 -4.265 1.00 26.57 H new ATOM 0 HB THR A 704 -15.879 -0.824 -5.374 1.00 36.46 H new ATOM 0 HG1 THR A 704 -17.008 -1.136 -7.048 1.00 37.34 H new ATOM 0 HG21 THR A 704 -17.413 -2.301 -4.365 1.00 38.07 H new ATOM 0 HG22 THR A 704 -16.902 -1.231 -3.316 1.00 38.07 H new ATOM 0 HG23 THR A 704 -18.333 -1.071 -3.976 1.00 38.07 H new ATOM 235 N ALA A 705 -15.196 1.933 -6.529 1.00 22.60 N ANISOU 235 N ALA A 705 2518 3270 2798 -35 92 -400 N ATOM 236 CA ALA A 705 -14.793 2.613 -7.753 1.00 30.13 C ANISOU 236 CA ALA A 705 3461 4297 3689 -92 -6 -373 C ATOM 237 C ALA A 705 -13.336 2.330 -8.077 1.00 32.37 C ANISOU 237 C ALA A 705 3812 4510 3979 -136 24 -370 C ATOM 238 O ALA A 705 -12.553 2.001 -7.196 1.00 28.33 O ANISOU 238 O ALA A 705 3366 3875 3524 -80 80 -354 O ATOM 239 CB ALA A 705 -15.020 4.110 -7.625 1.00 34.63 C ANISOU 239 CB ALA A 705 4027 4866 4266 16 -150 -275 C ATOM 0 H ALA A 705 -14.543 1.657 -6.042 1.00 22.60 H new ATOM 0 HA ALA A 705 -15.338 2.273 -8.480 1.00 30.13 H new ATOM 0 HB1 ALA A 705 -14.748 4.550 -8.446 1.00 34.63 H new ATOM 0 HB2 ALA A 705 -15.961 4.282 -7.463 1.00 34.63 H new ATOM 0 HB3 ALA A 705 -14.496 4.455 -6.885 1.00 34.63 H new ATOM 240 N LYS A 706 -12.983 2.437 -9.354 1.00 35.12 N ANISOU 240 N LYS A 706 4122 4970 4252 -239 -11 -376 N ATOM 241 CA LYS A 706 -11.588 2.445 -9.768 1.00 27.57 C ANISOU 241 CA LYS A 706 3217 3972 3287 -274 -7 -358 C ATOM 242 C LYS A 706 -11.020 3.848 -9.610 1.00 23.23 C ANISOU 242 C LYS A 706 2712 3370 2743 -184 -140 -215 C ATOM 243 O LYS A 706 -11.688 4.829 -9.944 1.00 31.27 O ANISOU 243 O LYS A 706 3679 4455 3748 -152 -245 -121 O ATOM 244 CB LYS A 706 -11.436 2.001 -11.236 1.00 27.89 C ANISOU 244 CB LYS A 706 3172 4202 3223 -432 18 -438 C ATOM 245 CG LYS A 706 -12.044 0.651 -11.568 1.00 30.50 C ANISOU 245 CG LYS A 706 3422 4591 3575 -551 158 -636 C ATOM 0 H LYS A 706 -13.545 2.507 -10.002 1.00 35.12 H new ATOM 0 HA LYS A 706 -11.104 1.820 -9.207 1.00 27.57 H new ATOM 0 HB2 LYS A 706 -11.843 2.672 -11.806 1.00 27.89 H new ATOM 0 HB3 LYS A 706 -10.492 1.977 -11.456 1.00 27.89 H new ATOM 246 N ASN A 707 -9.802 3.930 -9.075 1.00 20.57 N ANISOU 246 N ASN A 707 2455 2905 2456 -143 -129 -195 N ATOM 247 CA ASN A 707 -8.939 5.120 -9.152 1.00 29.01 C ANISOU 247 CA ASN A 707 3554 3917 3553 -102 -232 -89 C ATOM 248 C ASN A 707 -9.303 6.316 -8.280 1.00 32.30 C ANISOU 248 C ASN A 707 3978 4230 4066 20 -322 -44 C ATOM 249 O ASN A 707 -8.407 6.984 -7.763 1.00 30.50 O ANISOU 249 O ASN A 707 3788 3894 3908 68 -361 -30 O ATOM 250 CB ASN A 707 -8.845 5.593 -10.600 1.00 26.94 C ANISOU 250 CB ASN A 707 3222 3803 3210 -196 -294 4 C ATOM 251 CG ASN A 707 -8.370 4.505 -11.517 1.00 33.71 C ANISOU 251 CG ASN A 707 4049 4792 3965 -329 -202 -90 C ATOM 252 OD1 ASN A 707 -7.460 3.742 -11.168 1.00 34.66 O ANISOU 252 OD1 ASN A 707 4224 4821 4124 -340 -112 -172 O ATOM 253 ND2 ASN A 707 -9.004 4.391 -12.677 1.00 33.42 N ANISOU 253 ND2 ASN A 707 3906 4990 3803 -431 -216 -92 N ATOM 0 H ASN A 707 -9.441 3.279 -8.644 1.00 20.57 H new ATOM 0 HA ASN A 707 -8.095 4.804 -8.793 1.00 29.01 H new ATOM 0 HB2 ASN A 707 -9.715 5.906 -10.894 1.00 26.94 H new ATOM 0 HB3 ASN A 707 -8.239 6.348 -10.654 1.00 26.94 H new ATOM 0 HD21 ASN A 707 -8.788 3.765 -13.226 1.00 33.42 H new ATOM 0 HD22 ASN A 707 -9.631 4.943 -12.880 1.00 33.42 H new ATOM 254 N ARG A 708 -10.592 6.609 -8.128 1.00 32.46 N ANISOU 254 N ARG A 708 3943 4285 4103 66 -351 -43 N ATOM 255 CA ARG A 708 -10.989 7.743 -7.291 1.00 36.58 C ANISOU 255 CA ARG A 708 4450 4698 4749 185 -420 -39 C ATOM 256 C ARG A 708 -12.481 7.742 -7.042 1.00 38.37 C ANISOU 256 C ARG A 708 4612 4986 4983 234 -420 -66 C ATOM 257 O ARG A 708 -13.258 7.240 -7.865 1.00 34.54 O ANISOU 257 O ARG A 708 4070 4639 4416 167 -408 -35 O ATOM 258 CB ARG A 708 -10.586 9.078 -7.935 1.00 34.83 C ANISOU 258 CB ARG A 708 4190 4399 4647 196 -521 95 C ATOM 259 CG ARG A 708 -11.265 9.357 -9.275 1.00 42.54 C ANISOU 259 CG ARG A 708 5069 5510 5585 142 -575 262 C ATOM 260 CD ARG A 708 -10.609 10.530 -9.993 1.00 49.20 C ANISOU 260 CD ARG A 708 5864 6282 6547 138 -657 456 C ATOM 261 NE ARG A 708 -9.222 10.235 -10.355 1.00 55.33 N ANISOU 261 NE ARG A 708 6702 7063 7259 54 -634 463 N ATOM 262 CZ ARG A 708 -8.853 9.607 -11.471 1.00 59.82 C ANISOU 262 CZ ARG A 708 7246 7832 7650 -64 -613 524 C ATOM 263 NH1 ARG A 708 -9.770 9.204 -12.344 1.00 53.50 N1+ ANISOU 263 NH1 ARG A 708 6355 7268 6706 -122 -617 573 N1+ ATOM 264 NH2 ARG A 708 -7.564 9.381 -11.715 1.00 61.78 N ANISOU 264 NH2 ARG A 708 7543 8072 7858 -130 -585 517 N ATOM 0 H ARG A 708 -11.241 6.176 -8.491 1.00 32.46 H new ATOM 0 HA ARG A 708 -10.525 7.647 -6.445 1.00 36.58 H new ATOM 0 HB2 ARG A 708 -10.797 9.799 -7.321 1.00 34.83 H new ATOM 0 HB3 ARG A 708 -9.625 9.087 -8.063 1.00 34.83 H new ATOM 0 HG2 ARG A 708 -11.219 8.566 -9.834 1.00 42.54 H new ATOM 0 HG3 ARG A 708 -12.205 9.548 -9.130 1.00 42.54 H new ATOM 0 HD2 ARG A 708 -11.114 10.744 -10.793 1.00 49.20 H new ATOM 0 HD3 ARG A 708 -10.635 11.314 -9.423 1.00 49.20 H new ATOM 0 HE ARG A 708 -8.604 10.484 -9.811 1.00 55.33 H new ATOM 0 HH11 ARG A 708 -10.604 9.348 -12.189 1.00 53.50 H new ATOM 0 HH12 ARG A 708 -9.530 8.799 -13.064 1.00 53.50 H new ATOM 0 HH21 ARG A 708 -6.968 9.640 -11.152 1.00 61.78 H new ATOM 0 HH22 ARG A 708 -7.327 8.976 -12.436 1.00 61.78 H new ATOM 265 N MET A 709 -12.882 8.306 -5.907 1.00 27.39 N ANISOU 265 N MET A 709 3210 3517 3681 345 -430 -146 N ATOM 266 CA MET A 709 -14.296 8.497 -5.662 1.00 26.02 C ANISOU 266 CA MET A 709 2958 3392 3536 405 -437 -170 C ATOM 267 C MET A 709 -14.580 9.675 -4.772 1.00 28.18 C ANISOU 267 C MET A 709 3185 3548 3974 529 -480 -244 C ATOM 268 O MET A 709 -13.748 10.096 -3.975 1.00 41.50 O ANISOU 268 O MET A 709 4905 5146 5718 567 -480 -340 O ATOM 269 CB MET A 709 -14.924 7.237 -5.062 1.00 34.04 C ANISOU 269 CB MET A 709 3983 4516 4436 385 -334 -256 C ATOM 270 CG MET A 709 -14.434 6.846 -3.698 1.00 37.44 C ANISOU 270 CG MET A 709 4458 4932 4836 439 -267 -352 C ATOM 271 SD MET A 709 -15.629 5.716 -2.924 1.00 55.66 S ANISOU 271 SD MET A 709 6718 7366 7064 447 -155 -397 S ATOM 272 CE MET A 709 -15.464 4.224 -3.892 1.00 35.49 C ANISOU 272 CE MET A 709 4187 4836 4460 300 -60 -347 C ATOM 0 H MET A 709 -12.360 8.578 -5.281 1.00 27.39 H new ATOM 0 HA MET A 709 -14.696 8.679 -6.526 1.00 26.02 H new ATOM 0 HB2 MET A 709 -15.884 7.365 -5.017 1.00 34.04 H new ATOM 0 HB3 MET A 709 -14.765 6.497 -5.668 1.00 34.04 H new ATOM 0 HG2 MET A 709 -13.567 6.417 -3.766 1.00 37.44 H new ATOM 0 HG3 MET A 709 -14.318 7.636 -3.147 1.00 37.44 H new ATOM 0 HE1 MET A 709 -15.456 3.454 -3.302 1.00 35.49 H new ATOM 0 HE2 MET A 709 -16.211 4.152 -4.507 1.00 35.49 H new ATOM 0 HE3 MET A 709 -14.635 4.254 -4.394 1.00 35.49 H new ATOM 273 N VAL A 710 -15.784 10.203 -4.940 1.00 32.69 N ANISOU 273 N VAL A 710 3659 4132 4629 588 -514 -214 N ATOM 274 CA VAL A 710 -16.315 11.261 -4.100 1.00 28.72 C ANISOU 274 CA VAL A 710 3079 3519 4314 713 -535 -320 C ATOM 275 C VAL A 710 -17.615 10.749 -3.512 1.00 38.60 C ANISOU 275 C VAL A 710 4274 4905 5489 756 -484 -406 C ATOM 276 O VAL A 710 -18.638 10.752 -4.187 1.00 42.76 O ANISOU 276 O VAL A 710 4722 5501 6023 759 -508 -307 O ATOM 277 CB VAL A 710 -16.567 12.555 -4.891 1.00 32.67 C ANISOU 277 CB VAL A 710 3480 3871 5061 765 -619 -171 C ATOM 278 CG1 VAL A 710 -17.274 13.586 -4.019 1.00 41.37 C ANISOU 278 CG1 VAL A 710 4476 4838 6406 900 -619 -314 C ATOM 279 CG2 VAL A 710 -15.258 13.120 -5.428 1.00 32.73 C ANISOU 279 CG2 VAL A 710 3530 3739 5169 717 -661 -71 C ATOM 0 H VAL A 710 -16.325 9.950 -5.559 1.00 32.69 H new ATOM 0 HA VAL A 710 -15.672 11.482 -3.408 1.00 28.72 H new ATOM 0 HB VAL A 710 -17.141 12.344 -5.644 1.00 32.67 H new ATOM 0 HG11 VAL A 710 -17.425 14.395 -4.532 1.00 41.37 H new ATOM 0 HG12 VAL A 710 -18.125 13.229 -3.721 1.00 41.37 H new ATOM 0 HG13 VAL A 710 -16.722 13.791 -3.248 1.00 41.37 H new ATOM 0 HG21 VAL A 710 -15.436 13.935 -5.923 1.00 32.73 H new ATOM 0 HG22 VAL A 710 -14.662 13.316 -4.688 1.00 32.73 H new ATOM 0 HG23 VAL A 710 -14.841 12.470 -6.015 1.00 32.73 H new ATOM 280 N PHE A 711 -17.572 10.303 -2.258 1.00 35.00 N ANISOU 280 N PHE A 711 3839 4516 4942 788 -414 -576 N ATOM 281 CA PHE A 711 -18.733 9.680 -1.621 1.00 29.09 C ANISOU 281 CA PHE A 711 3035 3922 4097 817 -348 -645 C ATOM 282 C PHE A 711 -19.446 10.588 -0.614 1.00 31.60 C ANISOU 282 C PHE A 711 3245 4229 4534 942 -345 -822 C ATOM 283 O PHE A 711 -18.805 11.189 0.259 1.00 33.91 O ANISOU 283 O PHE A 711 3528 4478 4880 991 -340 -987 O ATOM 284 CB PHE A 711 -18.297 8.387 -0.929 1.00 28.39 C ANISOU 284 CB PHE A 711 3014 3964 3807 760 -252 -668 C ATOM 285 CG PHE A 711 -19.403 7.687 -0.193 1.00 32.30 C ANISOU 285 CG PHE A 711 3444 4622 4208 781 -170 -712 C ATOM 286 CD1 PHE A 711 -20.379 6.983 -0.885 1.00 45.38 C ANISOU 286 CD1 PHE A 711 5066 6342 5834 720 -142 -632 C ATOM 287 CD2 PHE A 711 -19.459 7.721 1.198 1.00 38.47 C ANISOU 287 CD2 PHE A 711 4176 5525 4915 853 -116 -840 C ATOM 288 CE1 PHE A 711 -21.408 6.331 -0.206 1.00 43.74 C ANISOU 288 CE1 PHE A 711 4785 6277 5556 730 -58 -665 C ATOM 289 CE2 PHE A 711 -20.478 7.068 1.886 1.00 39.30 C ANISOU 289 CE2 PHE A 711 4205 5803 4923 868 -32 -855 C ATOM 290 CZ PHE A 711 -21.457 6.376 1.178 1.00 47.85 C ANISOU 290 CZ PHE A 711 5264 6908 6009 807 -1 -760 C ATOM 0 H PHE A 711 -16.876 10.352 -1.756 1.00 35.00 H new ATOM 0 HA PHE A 711 -19.374 9.499 -2.326 1.00 29.09 H new ATOM 0 HB2 PHE A 711 -17.930 7.783 -1.593 1.00 28.39 H new ATOM 0 HB3 PHE A 711 -17.583 8.590 -0.305 1.00 28.39 H new ATOM 0 HD1 PHE A 711 -20.346 6.946 -1.814 1.00 45.38 H new ATOM 0 HD2 PHE A 711 -18.808 8.185 1.673 1.00 38.47 H new ATOM 0 HE1 PHE A 711 -22.059 5.867 -0.681 1.00 43.74 H new ATOM 0 HE2 PHE A 711 -20.505 7.094 2.815 1.00 39.30 H new ATOM 0 HZ PHE A 711 -22.143 5.944 1.634 1.00 47.85 H new ATOM 291 N GLU A 712 -20.770 10.674 -0.743 1.00 30.08 N ANISOU 291 N GLU A 712 2953 4095 4382 988 -341 -811 N ATOM 292 CA GLU A 712 -21.625 11.398 0.203 1.00 38.73 C ANISOU 292 CA GLU A 712 3923 5209 5584 1107 -318 -997 C ATOM 293 C GLU A 712 -22.133 10.474 1.303 1.00 46.58 C ANISOU 293 C GLU A 712 4897 6442 6361 1104 -219 -1103 C ATOM 294 O GLU A 712 -22.941 9.578 1.057 1.00 46.60 O ANISOU 294 O GLU A 712 4886 6571 6248 1057 -178 -1007 O ATOM 295 CB GLU A 712 -22.819 12.042 -0.511 1.00 49.28 C ANISOU 295 CB GLU A 712 5137 6490 7099 1173 -366 -909 C ATOM 296 CG GLU A 712 -22.441 12.939 -1.677 1.00 61.28 C ANISOU 296 CG GLU A 712 6640 7805 8838 1182 -461 -726 C ATOM 297 CD GLU A 712 -21.427 13.999 -1.290 1.00 69.07 C ANISOU 297 CD GLU A 712 7635 8562 10048 1229 -481 -839 C ATOM 298 OE1 GLU A 712 -20.635 14.417 -2.164 1.00 69.79 O ANISOU 298 OE1 GLU A 712 7764 8505 10248 1190 -541 -670 O ATOM 299 OE2 GLU A 712 -21.427 14.417 -0.111 1.00 73.58 O1+ ANISOU 299 OE2 GLU A 712 8155 9119 10682 1297 -430 -1109 O1+ ATOM 0 H GLU A 712 -21.204 10.309 -1.390 1.00 30.08 H new ATOM 0 HA GLU A 712 -21.082 12.096 0.602 1.00 38.73 H new ATOM 0 HB2 GLU A 712 -23.406 11.341 -0.833 1.00 49.28 H new ATOM 0 HB3 GLU A 712 -23.325 12.562 0.133 1.00 49.28 H new ATOM 0 HG2 GLU A 712 -22.079 12.396 -2.395 1.00 61.28 H new ATOM 0 HG3 GLU A 712 -23.239 13.370 -2.022 1.00 61.28 H new ATOM 300 N ALA A 713 -21.677 10.718 2.525 1.00 47.89 N ANISOU 300 N ALA A 713 5034 6688 6472 1150 -178 -1302 N ATOM 301 CA ALA A 713 -21.937 9.814 3.634 1.00 42.70 C ANISOU 301 CA ALA A 713 4346 6302 5575 1143 -81 -1357 C ATOM 302 C ALA A 713 -22.977 10.368 4.584 1.00 46.71 C ANISOU 302 C ALA A 713 4702 6945 6101 1233 -39 -1561 C ATOM 303 O ALA A 713 -23.241 11.569 4.587 1.00 48.08 O ANISOU 303 O ALA A 713 4826 6959 6483 1275 -86 -1686 O ATOM 304 CB ALA A 713 -20.651 9.537 4.384 1.00 36.02 C ANISOU 304 CB ALA A 713 3555 5550 4581 1114 -59 -1403 C ATOM 0 H ALA A 713 -21.210 11.410 2.733 1.00 47.89 H new ATOM 0 HA ALA A 713 -22.287 8.988 3.264 1.00 42.70 H new ATOM 0 HB1 ALA A 713 -20.830 8.934 5.122 1.00 36.02 H new ATOM 0 HB2 ALA A 713 -20.007 9.130 3.783 1.00 36.02 H new ATOM 0 HB3 ALA A 713 -20.291 10.370 4.727 1.00 36.02 H new ATOM 305 N GLN A 714 -23.563 9.491 5.395 1.00 47.58 N ANISOU 305 N GLN A 714 4772 7311 5994 1207 47 -1535 N ATOM 306 CA GLN A 714 -24.335 9.936 6.551 1.00 52.23 C ANISOU 306 CA GLN A 714 5262 8059 6525 1226 79 -1695 C ATOM 307 C GLN A 714 -23.433 9.892 7.793 1.00 49.05 C ANISOU 307 C GLN A 714 4847 7862 5927 1196 96 -1798 C ATOM 308 O GLN A 714 -22.365 9.262 7.775 1.00 41.74 O ANISOU 308 O GLN A 714 3991 6984 4883 1162 104 -1691 O ATOM 309 CB GLN A 714 -25.586 9.072 6.746 1.00 53.42 C ANISOU 309 CB GLN A 714 5349 8388 6560 1212 154 -1592 C ATOM 0 H GLN A 714 -23.526 8.638 5.294 1.00 47.58 H new ATOM 0 HA GLN A 714 -24.639 10.845 6.405 1.00 52.23 H new ATOM 310 N ASN A 715 -23.843 10.571 8.858 1.00 45.14 N ANISOU 310 N ASN A 715 4245 7509 5399 1208 98 -2005 N ATOM 311 CA ASN A 715 -23.065 10.574 10.091 1.00 53.28 C ANISOU 311 CA ASN A 715 5216 8802 6224 1175 99 -2116 C ATOM 312 C ASN A 715 -22.726 9.148 10.507 1.00 48.30 C ANISOU 312 C ASN A 715 4608 8432 5311 1139 161 -1867 C ATOM 313 O ASN A 715 -23.553 8.243 10.379 1.00 48.77 O ANISOU 313 O ASN A 715 4666 8560 5303 1134 229 -1682 O ATOM 314 CB ASN A 715 -23.822 11.298 11.212 1.00 36.78 C ANISOU 314 CB ASN A 715 2970 6899 4104 1185 105 -2364 C ATOM 0 H ASN A 715 -24.566 11.035 8.888 1.00 45.14 H new ATOM 0 HA ASN A 715 -22.238 11.053 9.929 1.00 53.28 H new ATOM 315 N GLY A 716 -21.496 8.943 10.961 1.00 48.76 N ANISOU 315 N GLY A 716 4676 8617 5233 1113 143 -1843 N ATOM 316 CA GLY A 716 -21.061 7.623 11.375 1.00 51.85 C ANISOU 316 CA GLY A 716 5073 9238 5390 1088 205 -1567 C ATOM 317 C GLY A 716 -19.644 7.268 10.959 1.00 48.21 C ANISOU 317 C GLY A 716 4703 8706 4910 1073 189 -1448 C ATOM 318 O GLY A 716 -18.885 8.099 10.451 1.00 41.27 O ANISOU 318 O GLY A 716 3879 7629 4173 1075 119 -1603 O ATOM 0 H GLY A 716 -20.899 9.558 11.036 1.00 48.76 H new ATOM 0 HA2 GLY A 716 -21.128 7.561 12.341 1.00 51.85 H new ATOM 0 HA3 GLY A 716 -21.669 6.964 11.006 1.00 51.85 H new ATOM 319 N VAL A 717 -19.299 6.005 11.180 1.00 41.91 N ANISOU 319 N VAL A 717 3912 8056 3957 1057 260 -1150 N ATOM 320 CA VAL A 717 -17.953 5.513 10.976 1.00 39.15 C ANISOU 320 CA VAL A 717 3621 7695 3560 1047 260 -997 C ATOM 321 C VAL A 717 -17.894 4.684 9.690 1.00 41.66 C ANISOU 321 C VAL A 717 4065 7735 4027 1034 327 -786 C ATOM 322 O VAL A 717 -18.752 3.824 9.461 1.00 42.83 O ANISOU 322 O VAL A 717 4207 7855 4211 1016 415 -607 O ATOM 323 CB VAL A 717 -17.490 4.663 12.178 1.00 35.25 C ANISOU 323 CB VAL A 717 3012 7565 2817 1043 294 -776 C ATOM 324 CG1 VAL A 717 -16.067 4.168 11.964 1.00 41.71 C ANISOU 324 CG1 VAL A 717 3879 8366 3602 1041 293 -601 C ATOM 325 CG2 VAL A 717 -17.588 5.475 13.472 1.00 39.05 C ANISOU 325 CG2 VAL A 717 3325 8376 3136 1047 221 -1010 C ATOM 0 H VAL A 717 -19.850 5.406 11.456 1.00 41.91 H new ATOM 0 HA VAL A 717 -17.356 6.273 10.895 1.00 39.15 H new ATOM 0 HB VAL A 717 -18.073 3.891 12.254 1.00 35.25 H new ATOM 0 HG11 VAL A 717 -15.791 3.636 12.727 1.00 41.71 H new ATOM 0 HG12 VAL A 717 -16.030 3.625 11.161 1.00 41.71 H new ATOM 0 HG13 VAL A 717 -15.471 4.927 11.867 1.00 41.71 H new ATOM 0 HG21 VAL A 717 -17.295 4.930 14.219 1.00 39.05 H new ATOM 0 HG22 VAL A 717 -17.024 6.261 13.404 1.00 39.05 H new ATOM 0 HG23 VAL A 717 -18.508 5.749 13.614 1.00 39.05 H new ATOM 326 N TYR A 718 -16.895 4.952 8.853 1.00 32.61 N ANISOU 326 N TYR A 718 3025 6379 2989 1029 281 -817 N ATOM 327 CA TYR A 718 -16.739 4.224 7.604 1.00 36.12 C ANISOU 327 CA TYR A 718 3618 6488 3617 958 291 -613 C ATOM 328 C TYR A 718 -15.356 3.610 7.508 1.00 38.94 C ANISOU 328 C TYR A 718 4035 6810 3949 931 297 -435 C ATOM 329 O TYR A 718 -14.377 4.144 8.053 1.00 38.38 O ANISOU 329 O TYR A 718 3932 6878 3773 959 243 -529 O ATOM 330 CB TYR A 718 -16.997 5.143 6.400 1.00 34.73 C ANISOU 330 CB TYR A 718 3545 5990 3660 935 193 -770 C ATOM 331 CG TYR A 718 -18.449 5.542 6.262 1.00 36.10 C ANISOU 331 CG TYR A 718 3661 6151 3905 960 196 -877 C ATOM 332 CD1 TYR A 718 -18.966 6.613 6.980 1.00 37.64 C ANISOU 332 CD1 TYR A 718 3744 6475 4081 1037 166 -1134 C ATOM 333 CD2 TYR A 718 -19.306 4.841 5.425 1.00 37.27 C ANISOU 333 CD2 TYR A 718 3845 6170 4148 904 237 -743 C ATOM 334 CE1 TYR A 718 -20.298 6.976 6.867 1.00 40.06 C ANISOU 334 CE1 TYR A 718 3981 6771 4469 1072 174 -1226 C ATOM 335 CE2 TYR A 718 -20.645 5.201 5.301 1.00 37.69 C ANISOU 335 CE2 TYR A 718 3828 6236 4259 929 236 -832 C ATOM 336 CZ TYR A 718 -21.130 6.268 6.026 1.00 39.96 C ANISOU 336 CZ TYR A 718 4009 6640 4532 1020 204 -1058 C ATOM 337 OH TYR A 718 -22.449 6.630 5.913 1.00 41.94 O ANISOU 337 OH TYR A 718 4176 6902 4857 1057 208 -1141 O ATOM 0 H TYR A 718 -16.297 5.554 8.993 1.00 32.61 H new ATOM 0 HA TYR A 718 -17.395 3.509 7.592 1.00 36.12 H new ATOM 0 HB2 TYR A 718 -16.454 5.942 6.487 1.00 34.73 H new ATOM 0 HB3 TYR A 718 -16.712 4.693 5.589 1.00 34.73 H new ATOM 0 HD1 TYR A 718 -18.408 7.095 7.547 1.00 37.64 H new ATOM 0 HD2 TYR A 718 -18.980 4.118 4.939 1.00 37.27 H new ATOM 0 HE1 TYR A 718 -20.630 7.694 7.356 1.00 40.06 H new ATOM 0 HE2 TYR A 718 -21.208 4.725 4.734 1.00 37.69 H new ATOM 0 HH TYR A 718 -22.835 6.118 5.371 1.00 41.94 H new ATOM 338 N ALA A 719 -15.290 2.477 6.818 1.00 38.36 N ANISOU 338 N ALA A 719 4031 6556 3990 874 372 -198 N ATOM 339 CA ALA A 719 -14.026 1.844 6.512 1.00 38.03 C ANISOU 339 CA ALA A 719 4049 6413 3988 847 388 -30 C ATOM 340 C ALA A 719 -13.729 2.030 5.035 1.00 33.11 C ANISOU 340 C ALA A 719 3575 5444 3562 770 333 -91 C ATOM 341 O ALA A 719 -14.499 1.584 4.168 1.00 32.89 O ANISOU 341 O ALA A 719 3589 5243 3667 707 371 -68 O ATOM 342 CB ALA A 719 -14.057 0.365 6.881 1.00 36.06 C ANISOU 342 CB ALA A 719 3733 6213 3757 841 537 286 C ATOM 0 H ALA A 719 -15.978 2.058 6.517 1.00 38.36 H new ATOM 0 HA ALA A 719 -13.322 2.257 7.036 1.00 38.03 H new ATOM 0 HB1 ALA A 719 -13.202 -0.040 6.668 1.00 36.06 H new ATOM 0 HB2 ALA A 719 -14.231 0.272 7.831 1.00 36.06 H new ATOM 0 HB3 ALA A 719 -14.758 -0.079 6.379 1.00 36.06 H new ATOM 343 N VAL A 720 -12.618 2.707 4.754 1.00 26.63 N ANISOU 343 N VAL A 720 2816 4557 2746 769 242 -175 N ATOM 344 CA VAL A 720 -12.183 2.925 3.380 1.00 28.44 C ANISOU 344 CA VAL A 720 3168 4508 3131 696 188 -210 C ATOM 345 C VAL A 720 -11.082 1.937 3.055 1.00 35.30 C ANISOU 345 C VAL A 720 4075 5291 4047 659 252 -36 C ATOM 346 O VAL A 720 -10.046 1.900 3.718 1.00 34.81 O ANISOU 346 O VAL A 720 3979 5347 3899 701 246 24 O ATOM 347 CB VAL A 720 -11.667 4.354 3.132 1.00 26.23 C ANISOU 347 CB VAL A 720 2923 4166 2875 707 55 -403 C ATOM 348 CG1 VAL A 720 -11.303 4.537 1.641 1.00 24.02 C ANISOU 348 CG1 VAL A 720 2750 3634 2741 626 5 -389 C ATOM 349 CG2 VAL A 720 -12.713 5.375 3.550 1.00 31.83 C ANISOU 349 CG2 VAL A 720 3568 4940 3586 759 5 -591 C ATOM 0 H VAL A 720 -12.100 3.049 5.349 1.00 26.63 H new ATOM 0 HA VAL A 720 -12.955 2.797 2.807 1.00 28.44 H new ATOM 0 HB VAL A 720 -10.870 4.494 3.667 1.00 26.23 H new ATOM 0 HG11 VAL A 720 -10.979 5.440 1.495 1.00 24.02 H new ATOM 0 HG12 VAL A 720 -10.611 3.902 1.396 1.00 24.02 H new ATOM 0 HG13 VAL A 720 -12.090 4.384 1.095 1.00 24.02 H new ATOM 0 HG21 VAL A 720 -12.375 6.270 3.388 1.00 31.83 H new ATOM 0 HG22 VAL A 720 -13.523 5.238 3.035 1.00 31.83 H new ATOM 0 HG23 VAL A 720 -12.909 5.270 4.494 1.00 31.83 H new ATOM 350 N ARG A 721 -11.319 1.127 2.035 1.00 29.52 N ANISOU 350 N ARG A 721 3392 4369 3456 579 319 28 N ATOM 351 CA ARG A 721 -10.372 0.093 1.660 1.00 31.05 C ANISOU 351 CA ARG A 721 3604 4447 3747 543 407 170 C ATOM 352 C ARG A 721 -9.757 0.439 0.307 1.00 36.55 C ANISOU 352 C ARG A 721 4396 4965 4526 460 346 72 C ATOM 353 O ARG A 721 -10.464 0.801 -0.638 1.00 35.96 O ANISOU 353 O ARG A 721 4356 4818 4490 394 304 -35 O ATOM 354 CB ARG A 721 -11.061 -1.271 1.626 1.00 25.95 C ANISOU 354 CB ARG A 721 2901 3727 3233 505 567 303 C ATOM 355 CG ARG A 721 -10.102 -2.431 1.488 1.00 37.62 C ANISOU 355 CG ARG A 721 4357 5076 4862 491 690 467 C ATOM 356 CD ARG A 721 -10.522 -3.380 0.384 1.00 49.70 C ANISOU 356 CD ARG A 721 5891 6375 6617 375 805 417 C ATOM 357 NE ARG A 721 -11.591 -4.293 0.777 1.00 63.40 N ANISOU 357 NE ARG A 721 7533 8086 8470 358 942 510 N ATOM 358 CZ ARG A 721 -12.114 -5.220 -0.023 1.00 69.86 C ANISOU 358 CZ ARG A 721 8318 8714 9511 247 1067 446 C ATOM 359 NH1 ARG A 721 -13.083 -6.016 0.417 1.00 65.92 N1+ ANISOU 359 NH1 ARG A 721 7721 8188 9136 228 1197 538 N1+ ATOM 360 NH2 ARG A 721 -11.664 -5.357 -1.265 1.00 80.09 N ANISOU 360 NH2 ARG A 721 9661 9863 10905 145 1071 276 N ATOM 0 H ARG A 721 -12.025 1.160 1.546 1.00 29.52 H new ATOM 0 HA ARG A 721 -9.662 0.046 2.319 1.00 31.05 H new ATOM 0 HB2 ARG A 721 -11.578 -1.384 2.439 1.00 25.95 H new ATOM 0 HB3 ARG A 721 -11.688 -1.290 0.886 1.00 25.95 H new ATOM 0 HG2 ARG A 721 -9.211 -2.094 1.303 1.00 37.62 H new ATOM 0 HG3 ARG A 721 -10.054 -2.913 2.328 1.00 37.62 H new ATOM 0 HD2 ARG A 721 -10.813 -2.863 -0.383 1.00 49.70 H new ATOM 0 HD3 ARG A 721 -9.752 -3.898 0.102 1.00 49.70 H new ATOM 0 HE ARG A 721 -11.903 -4.228 1.576 1.00 63.40 H new ATOM 0 HH11 ARG A 721 -13.375 -5.934 1.222 1.00 65.92 H new ATOM 0 HH12 ARG A 721 -13.418 -6.613 -0.103 1.00 65.92 H new ATOM 0 HH21 ARG A 721 -11.034 -4.847 -1.553 1.00 80.09 H new ATOM 0 HH22 ARG A 721 -12.002 -5.956 -1.781 1.00 80.09 H new ATOM 361 N ILE A 722 -8.433 0.364 0.226 1.00 28.36 N ANISOU 361 N ILE A 722 3384 3895 3497 465 338 121 N ATOM 362 CA ILE A 722 -7.733 0.681 -1.011 1.00 28.87 C ANISOU 362 CA ILE A 722 3523 3826 3620 385 287 44 C ATOM 363 C ILE A 722 -6.923 -0.530 -1.448 1.00 31.93 C ANISOU 363 C ILE A 722 3900 4098 4134 345 411 134 C ATOM 364 O ILE A 722 -5.937 -0.891 -0.812 1.00 33.79 O ANISOU 364 O ILE A 722 4103 4365 4370 405 446 252 O ATOM 365 CB ILE A 722 -6.807 1.898 -0.843 1.00 25.29 C ANISOU 365 CB ILE A 722 3102 3420 3088 417 155 -19 C ATOM 366 CG1 ILE A 722 -7.598 3.093 -0.304 1.00 24.31 C ANISOU 366 CG1 ILE A 722 2960 3380 2895 465 54 -134 C ATOM 367 CG2 ILE A 722 -6.138 2.250 -2.184 1.00 28.89 C ANISOU 367 CG2 ILE A 722 3623 3754 3601 327 107 -67 C ATOM 368 CD1 ILE A 722 -7.380 3.368 1.197 1.00 32.07 C ANISOU 368 CD1 ILE A 722 3866 4563 3754 561 41 -146 C ATOM 0 H ILE A 722 -7.922 0.131 0.877 1.00 28.36 H new ATOM 0 HA ILE A 722 -8.391 0.905 -1.687 1.00 28.87 H new ATOM 0 HB ILE A 722 -6.112 1.676 -0.204 1.00 25.29 H new ATOM 0 HG12 ILE A 722 -7.351 3.885 -0.807 1.00 24.31 H new ATOM 0 HG13 ILE A 722 -8.543 2.940 -0.461 1.00 24.31 H new ATOM 0 HG21 ILE A 722 -5.558 3.018 -2.065 1.00 28.89 H new ATOM 0 HG22 ILE A 722 -5.614 1.494 -2.493 1.00 28.89 H new ATOM 0 HG23 ILE A 722 -6.820 2.460 -2.841 1.00 28.89 H new ATOM 0 HD11 ILE A 722 -7.910 4.135 1.466 1.00 32.07 H new ATOM 0 HD12 ILE A 722 -7.651 2.592 1.711 1.00 32.07 H new ATOM 0 HD13 ILE A 722 -6.441 3.551 1.360 1.00 32.07 H new ATOM 369 N ALA A 723 -7.358 -1.183 -2.514 1.00 28.00 N ANISOU 369 N ALA A 723 3406 3481 3750 244 486 68 N ATOM 370 CA ALA A 723 -6.666 -2.374 -3.002 1.00 26.38 C ANISOU 370 CA ALA A 723 3170 3137 3716 195 627 101 C ATOM 371 C ALA A 723 -5.868 -2.015 -4.233 1.00 25.73 C ANISOU 371 C ALA A 723 3136 3017 3624 109 578 -17 C ATOM 372 O ALA A 723 -6.432 -1.904 -5.321 1.00 23.84 O ANISOU 372 O ALA A 723 2902 2783 3373 3 564 -155 O ATOM 373 CB ALA A 723 -7.663 -3.487 -3.322 1.00 27.26 C ANISOU 373 CB ALA A 723 3217 3145 3994 123 776 65 C ATOM 0 H ALA A 723 -8.050 -0.957 -2.971 1.00 28.00 H new ATOM 0 HA ALA A 723 -6.068 -2.699 -2.311 1.00 26.38 H new ATOM 0 HB1 ALA A 723 -7.185 -4.267 -3.644 1.00 27.26 H new ATOM 0 HB2 ALA A 723 -8.157 -3.719 -2.520 1.00 27.26 H new ATOM 0 HB3 ALA A 723 -8.280 -3.182 -4.005 1.00 27.26 H new ATOM 374 N THR A 724 -4.567 -1.811 -4.081 1.00 27.19 N ANISOU 374 N THR A 724 3338 3200 3792 150 550 42 N ATOM 375 CA THR A 724 -3.752 -1.457 -5.239 1.00 32.09 C ANISOU 375 CA THR A 724 3992 3806 4394 65 508 -55 C ATOM 376 C THR A 724 -3.523 -2.696 -6.103 1.00 42.52 C ANISOU 376 C THR A 724 5257 5010 5889 -23 671 -140 C ATOM 377 O THR A 724 -3.494 -3.826 -5.596 1.00 36.81 O ANISOU 377 O THR A 724 4468 4167 5350 14 821 -70 O ATOM 378 CB THR A 724 -2.404 -0.828 -4.831 1.00 28.16 C ANISOU 378 CB THR A 724 3519 3348 3834 126 429 18 C ATOM 379 OG1 THR A 724 -1.602 -1.807 -4.162 1.00 33.62 O ANISOU 379 OG1 THR A 724 4150 3985 4637 197 543 143 O ATOM 380 CG2 THR A 724 -2.642 0.356 -3.886 1.00 29.37 C ANISOU 380 CG2 THR A 724 3698 3612 3848 205 288 48 C ATOM 0 H THR A 724 -4.142 -1.870 -3.336 1.00 27.19 H new ATOM 0 HA THR A 724 -4.234 -0.788 -5.749 1.00 32.09 H new ATOM 0 HB THR A 724 -1.948 -0.517 -5.628 1.00 28.16 H new ATOM 0 HG1 THR A 724 -2.006 -2.080 -3.478 1.00 33.62 H new ATOM 0 HG21 THR A 724 -1.790 0.746 -3.634 1.00 29.37 H new ATOM 0 HG22 THR A 724 -3.183 1.025 -4.335 1.00 29.37 H new ATOM 0 HG23 THR A 724 -3.104 0.048 -3.091 1.00 29.37 H new ATOM 381 N GLU A 725 -3.362 -2.468 -7.407 1.00 45.19 N ANISOU 381 N GLU A 725 5599 5393 6178 -142 649 -289 N ATOM 382 CA GLU A 725 -3.451 -3.536 -8.400 1.00 47.89 C ANISOU 382 CA GLU A 725 5864 5674 6657 -261 800 -462 C ATOM 383 C GLU A 725 -2.146 -4.318 -8.590 1.00 42.88 C ANISOU 383 C GLU A 725 5184 4926 6185 -257 922 -477 C ATOM 384 O GLU A 725 -2.160 -5.422 -9.132 1.00 49.40 O ANISOU 384 O GLU A 725 5920 5641 7210 -331 1092 -625 O ATOM 385 CB GLU A 725 -3.916 -2.959 -9.743 1.00 47.26 C ANISOU 385 CB GLU A 725 5772 5772 6411 -399 724 -623 C ATOM 0 H GLU A 725 -3.199 -1.692 -7.739 1.00 45.19 H new ATOM 0 HA GLU A 725 -4.099 -4.172 -8.059 1.00 47.89 H new ATOM 386 N GLY A 726 -1.022 -3.755 -8.160 1.00 37.09 N ANISOU 386 N GLY A 726 4493 4213 5386 -175 845 -345 N ATOM 387 CA GLY A 726 0.222 -4.507 -8.135 1.00 34.77 C ANISOU 387 CA GLY A 726 4142 3808 5260 -141 960 -317 C ATOM 388 C GLY A 726 0.833 -4.831 -9.492 1.00 46.13 C ANISOU 388 C GLY A 726 5528 5267 6732 -268 1034 -531 C ATOM 389 O GLY A 726 1.538 -5.831 -9.643 1.00 40.47 O ANISOU 389 O GLY A 726 4726 4409 6244 -263 1196 -584 O ATOM 0 H GLY A 726 -0.960 -2.944 -7.881 1.00 37.09 H new ATOM 0 HA2 GLY A 726 0.872 -4.005 -7.619 1.00 34.77 H new ATOM 0 HA3 GLY A 726 0.066 -5.340 -7.663 1.00 34.77 H new ATOM 390 N LYS A 727 0.567 -3.987 -10.483 1.00 47.28 N ANISOU 390 N LYS A 727 5703 5604 6658 -379 924 -645 N ATOM 391 CA LYS A 727 1.087 -4.209 -11.831 1.00 38.11 C ANISOU 391 CA LYS A 727 4470 4548 5463 -515 986 -855 C ATOM 392 C LYS A 727 2.494 -3.645 -11.989 1.00 37.90 C ANISOU 392 C LYS A 727 4461 4579 5361 -490 926 -775 C ATOM 393 O LYS A 727 2.981 -2.866 -11.154 1.00 36.36 O ANISOU 393 O LYS A 727 4342 4371 5102 -386 806 -572 O ATOM 394 CB LYS A 727 0.160 -3.576 -12.875 1.00 41.09 C ANISOU 394 CB LYS A 727 4834 5167 5610 -649 895 -975 C ATOM 395 CG LYS A 727 -1.200 -4.247 -12.991 1.00 43.86 C ANISOU 395 CG LYS A 727 5130 5505 6030 -713 973 -1121 C ATOM 396 CD LYS A 727 -2.139 -3.459 -13.894 1.00 51.29 C ANISOU 396 CD LYS A 727 6050 6732 6708 -822 851 -1177 C ATOM 397 CE LYS A 727 -3.535 -4.076 -13.909 1.00 56.09 C ANISOU 397 CE LYS A 727 6596 7339 7376 -881 916 -1315 C ATOM 398 NZ LYS A 727 -4.527 -3.164 -14.535 1.00 60.96 N1+ ANISOU 398 NZ LYS A 727 7195 8236 7731 -945 766 -1289 N1+ ATOM 0 H LYS A 727 0.087 -3.279 -10.397 1.00 47.28 H new ATOM 0 HA LYS A 727 1.125 -5.168 -11.972 1.00 38.11 H new ATOM 0 HB2 LYS A 727 0.030 -2.641 -12.652 1.00 41.09 H new ATOM 0 HB3 LYS A 727 0.598 -3.603 -13.740 1.00 41.09 H new ATOM 0 HG2 LYS A 727 -1.090 -5.144 -13.342 1.00 43.86 H new ATOM 0 HG3 LYS A 727 -1.595 -4.334 -12.109 1.00 43.86 H new ATOM 0 HD2 LYS A 727 -2.192 -2.540 -13.587 1.00 51.29 H new ATOM 0 HD3 LYS A 727 -1.782 -3.437 -14.796 1.00 51.29 H new ATOM 0 HE2 LYS A 727 -3.514 -4.915 -14.395 1.00 56.09 H new ATOM 0 HE3 LYS A 727 -3.809 -4.280 -13.001 1.00 56.09 H new ATOM 0 HZ1 LYS A 727 -5.329 -3.549 -14.530 1.00 60.96 H new ATOM 0 HZ2 LYS A 727 -4.561 -2.402 -14.076 1.00 60.96 H new ATOM 0 HZ3 LYS A 727 -4.286 -2.994 -15.375 1.00 60.96 H new ATOM 399 N THR A 728 3.140 -4.030 -13.078 1.00 31.01 N ANISOU 399 N THR A 728 3502 3791 4490 -597 1015 -960 N ATOM 400 CA THR A 728 4.435 -3.475 -13.410 1.00 36.86 C ANISOU 400 CA THR A 728 4243 4623 5140 -599 963 -903 C ATOM 401 C THR A 728 4.326 -2.657 -14.685 1.00 37.55 C ANISOU 401 C THR A 728 4303 5006 4957 -745 873 -978 C ATOM 402 O THR A 728 3.701 -3.084 -15.655 1.00 38.86 O ANISOU 402 O THR A 728 4379 5325 5061 -874 942 -1192 O ATOM 403 CB THR A 728 5.486 -4.579 -13.563 1.00 45.72 C ANISOU 403 CB THR A 728 5262 5615 6494 -585 1149 -1023 C ATOM 404 OG1 THR A 728 5.666 -5.218 -12.292 1.00 48.42 O ANISOU 404 OG1 THR A 728 5614 5702 7081 -427 1215 -861 O ATOM 405 CG2 THR A 728 6.813 -3.998 -14.032 1.00 40.82 C ANISOU 405 CG2 THR A 728 4627 5125 5758 -604 1099 -985 C ATOM 0 H THR A 728 2.844 -4.612 -13.637 1.00 31.01 H new ATOM 0 HA THR A 728 4.721 -2.898 -12.685 1.00 36.86 H new ATOM 0 HB THR A 728 5.182 -5.220 -14.225 1.00 45.72 H new ATOM 0 HG1 THR A 728 6.240 -5.827 -12.363 1.00 48.42 H new ATOM 0 HG21 THR A 728 7.465 -4.711 -14.123 1.00 40.82 H new ATOM 0 HG22 THR A 728 6.690 -3.561 -14.889 1.00 40.82 H new ATOM 0 HG23 THR A 728 7.131 -3.351 -13.383 1.00 40.82 H new ATOM 406 N TYR A 729 4.926 -1.474 -14.661 1.00 34.07 N ANISOU 406 N TYR A 729 3921 4661 4363 -727 721 -792 N ATOM 407 CA TYR A 729 4.902 -0.553 -15.789 1.00 36.69 C ANISOU 407 CA TYR A 729 4215 5275 4449 -848 623 -769 C ATOM 408 C TYR A 729 6.318 -0.239 -16.253 1.00 36.46 C ANISOU 408 C TYR A 729 4145 5335 4372 -880 625 -732 C ATOM 409 O TYR A 729 7.257 -0.250 -15.448 1.00 31.50 O ANISOU 409 O TYR A 729 3559 4539 3872 -781 628 -644 O ATOM 410 CB TYR A 729 4.192 0.750 -15.399 1.00 36.64 C ANISOU 410 CB TYR A 729 4296 5286 4338 -806 435 -544 C ATOM 411 CG TYR A 729 2.846 0.565 -14.751 1.00 34.51 C ANISOU 411 CG TYR A 729 4076 4916 4121 -751 419 -551 C ATOM 412 CD1 TYR A 729 1.682 0.584 -15.504 1.00 37.98 C ANISOU 412 CD1 TYR A 729 4458 5536 4436 -839 403 -620 C ATOM 413 CD2 TYR A 729 2.735 0.380 -13.385 1.00 25.32 C ANISOU 413 CD2 TYR A 729 2994 3515 3111 -612 418 -481 C ATOM 414 CE1 TYR A 729 0.442 0.419 -14.903 1.00 38.00 C ANISOU 414 CE1 TYR A 729 4496 5451 4490 -790 390 -627 C ATOM 415 CE2 TYR A 729 1.503 0.212 -12.775 1.00 30.42 C ANISOU 415 CE2 TYR A 729 3674 4088 3797 -564 409 -481 C ATOM 416 CZ TYR A 729 0.362 0.233 -13.534 1.00 37.46 C ANISOU 416 CZ TYR A 729 4519 5127 4586 -652 396 -558 C ATOM 417 OH TYR A 729 -0.860 0.063 -12.910 1.00 34.38 O ANISOU 417 OH TYR A 729 4155 4667 4242 -604 391 -560 O ATOM 0 H TYR A 729 5.364 -1.180 -13.982 1.00 34.07 H new ATOM 0 HA TYR A 729 4.417 -0.977 -16.514 1.00 36.69 H new ATOM 0 HB2 TYR A 729 4.764 1.246 -14.792 1.00 36.64 H new ATOM 0 HB3 TYR A 729 4.082 1.294 -16.194 1.00 36.64 H new ATOM 0 HD1 TYR A 729 1.733 0.709 -16.424 1.00 37.98 H new ATOM 0 HD2 TYR A 729 3.505 0.368 -12.864 1.00 25.32 H new ATOM 0 HE1 TYR A 729 -0.332 0.433 -15.418 1.00 38.00 H new ATOM 0 HE2 TYR A 729 1.450 0.086 -11.855 1.00 30.42 H new ATOM 0 HH TYR A 729 -1.469 0.375 -13.397 1.00 34.38 H new ATOM 418 N THR A 730 6.472 0.063 -17.538 1.00 32.61 N ANISOU 418 N THR A 730 3558 5147 3684 -1021 621 -786 N ATOM 419 CA THR A 730 7.762 0.478 -18.076 1.00 37.81 C ANISOU 419 CA THR A 730 4163 5935 4267 -1068 616 -729 C ATOM 420 C THR A 730 7.587 1.693 -18.976 1.00 41.00 C ANISOU 420 C THR A 730 4524 6629 4425 -1167 484 -541 C ATOM 421 O THR A 730 6.694 1.721 -19.806 1.00 40.64 O ANISOU 421 O THR A 730 4400 6835 4206 -1262 473 -587 O ATOM 422 CB THR A 730 8.451 -0.648 -18.875 1.00 46.53 C ANISOU 422 CB THR A 730 5128 7153 5397 -1151 804 -1015 C ATOM 423 OG1 THR A 730 7.644 -1.015 -20.002 1.00 52.96 O ANISOU 423 OG1 THR A 730 5819 8267 6038 -1298 862 -1225 O ATOM 424 CG2 THR A 730 8.674 -1.870 -17.998 1.00 47.43 C ANISOU 424 CG2 THR A 730 5258 6943 5819 -1041 953 -1159 C ATOM 0 H THR A 730 5.838 0.034 -18.118 1.00 32.61 H new ATOM 0 HA THR A 730 8.327 0.699 -17.319 1.00 37.81 H new ATOM 0 HB THR A 730 9.310 -0.319 -19.182 1.00 46.53 H new ATOM 0 HG1 THR A 730 8.026 -1.627 -20.433 1.00 52.96 H new ATOM 0 HG21 THR A 730 9.107 -2.566 -18.517 1.00 47.43 H new ATOM 0 HG22 THR A 730 9.237 -1.630 -17.245 1.00 47.43 H new ATOM 0 HG23 THR A 730 7.820 -2.195 -17.672 1.00 47.43 H new ATOM 425 N GLU A 731 8.423 2.705 -18.779 1.00 39.83 N ANISOU 425 N GLU A 731 4410 6445 4277 -1143 385 -312 N ATOM 426 CA GLU A 731 8.424 3.897 -19.623 1.00 40.04 C ANISOU 426 CA GLU A 731 4374 6714 4126 -1232 273 -77 C ATOM 427 C GLU A 731 9.763 4.019 -20.324 1.00 38.87 C ANISOU 427 C GLU A 731 4128 6742 3898 -1314 319 -55 C ATOM 428 O GLU A 731 10.809 3.777 -19.717 1.00 39.91 O ANISOU 428 O GLU A 731 4298 6690 4175 -1254 362 -98 O ATOM 429 CB GLU A 731 8.166 5.164 -18.794 1.00 39.71 C ANISOU 429 CB GLU A 731 4436 6448 4202 -1144 115 197 C ATOM 430 CG GLU A 731 6.794 5.220 -18.114 1.00 45.19 C ANISOU 430 CG GLU A 731 5215 6993 4963 -1061 58 200 C ATOM 431 CD GLU A 731 5.744 5.894 -18.982 1.00 46.55 C ANISOU 431 CD GLU A 731 5307 7398 4981 -1128 -22 359 C ATOM 432 OE1 GLU A 731 6.118 6.409 -20.050 1.00 49.44 O ANISOU 432 OE1 GLU A 731 5552 8041 5190 -1232 -42 510 O ATOM 433 OE2 GLU A 731 4.549 5.905 -18.605 1.00 37.79 O1+ ANISOU 433 OE2 GLU A 731 4239 6219 3900 -1074 -63 354 O1+ ATOM 0 H GLU A 731 9.009 2.721 -18.150 1.00 39.83 H new ATOM 0 HA GLU A 731 7.712 3.808 -20.276 1.00 40.04 H new ATOM 0 HB2 GLU A 731 8.853 5.235 -18.113 1.00 39.71 H new ATOM 0 HB3 GLU A 731 8.258 5.938 -19.372 1.00 39.71 H new ATOM 0 HG2 GLU A 731 6.504 4.319 -17.901 1.00 45.19 H new ATOM 0 HG3 GLU A 731 6.871 5.699 -17.274 1.00 45.19 H new ATOM 434 N LYS A 732 9.744 4.417 -21.592 1.00 39.01 N ANISOU 434 N LYS A 732 4002 7144 3675 -1449 309 31 N ATOM 435 CA LYS A 732 10.984 4.710 -22.287 1.00 34.48 C ANISOU 435 CA LYS A 732 3330 6760 3012 -1526 334 101 C ATOM 436 C LYS A 732 11.360 6.169 -22.078 1.00 36.21 C ANISOU 436 C LYS A 732 3571 6892 3294 -1520 201 482 C ATOM 437 O LYS A 732 10.546 7.077 -22.268 1.00 42.83 O ANISOU 437 O LYS A 732 4400 7774 4100 -1527 91 734 O ATOM 438 CB LYS A 732 10.868 4.408 -23.777 1.00 32.33 C ANISOU 438 CB LYS A 732 2920 6878 2485 -1613 331 -9 C ATOM 439 CG LYS A 732 12.135 4.680 -24.516 1.00 35.03 C ANISOU 439 CG LYS A 732 3178 7386 2747 -1661 330 48 C ATOM 0 H LYS A 732 9.031 4.522 -22.061 1.00 39.01 H new ATOM 0 HA LYS A 732 11.679 4.141 -21.920 1.00 34.48 H new ATOM 0 HB2 LYS A 732 10.621 3.478 -23.897 1.00 32.33 H new ATOM 0 HB3 LYS A 732 10.154 4.943 -24.158 1.00 32.33 H new ATOM 440 N VAL A 733 12.604 6.384 -21.685 1.00 33.54 N ANISOU 440 N VAL A 733 3253 6412 3080 -1501 213 517 N ATOM 441 CA VAL A 733 13.109 7.714 -21.435 1.00 31.89 C ANISOU 441 CA VAL A 733 3057 6071 2990 -1500 102 829 C ATOM 442 C VAL A 733 14.356 7.973 -22.288 1.00 43.99 C ANISOU 442 C VAL A 733 4483 7797 4433 -1568 124 897 C ATOM 443 O VAL A 733 15.238 7.115 -22.402 1.00 42.30 O ANISOU 443 O VAL A 733 4241 7645 4188 -1573 229 674 O ATOM 444 CB VAL A 733 13.420 7.887 -19.939 1.00 38.54 C ANISOU 444 CB VAL A 733 4050 6482 4111 -1367 53 784 C ATOM 445 CG1 VAL A 733 14.587 8.795 -19.738 1.00 44.70 C ANISOU 445 CG1 VAL A 733 4801 7165 5018 -1396 9 949 C ATOM 446 CG2 VAL A 733 12.178 8.376 -19.191 1.00 39.24 C ANISOU 446 CG2 VAL A 733 4245 6345 4319 -1277 -46 852 C ATOM 0 H VAL A 733 13.179 5.758 -21.556 1.00 33.54 H new ATOM 0 HA VAL A 733 12.432 8.363 -21.682 1.00 31.89 H new ATOM 0 HB VAL A 733 13.665 7.024 -19.570 1.00 38.54 H new ATOM 0 HG11 VAL A 733 14.764 8.889 -18.789 1.00 44.70 H new ATOM 0 HG12 VAL A 733 15.367 8.421 -20.177 1.00 44.70 H new ATOM 0 HG13 VAL A 733 14.389 9.666 -20.117 1.00 44.70 H new ATOM 0 HG21 VAL A 733 12.387 8.481 -18.250 1.00 39.24 H new ATOM 0 HG22 VAL A 733 11.895 9.229 -19.556 1.00 39.24 H new ATOM 0 HG23 VAL A 733 11.463 7.728 -19.293 1.00 39.24 H new ATOM 447 N ILE A 734 14.421 9.155 -22.894 1.00 39.11 N ANISOU 447 N ILE A 734 3805 7251 3805 -1598 23 1202 N ATOM 448 CA ILE A 734 15.584 9.546 -23.676 1.00 39.05 C ANISOU 448 CA ILE A 734 3700 7404 3735 -1650 25 1301 C ATOM 449 C ILE A 734 16.284 10.738 -23.033 1.00 42.03 C ANISOU 449 C ILE A 734 4102 7495 4371 -1637 -41 1538 C ATOM 450 O ILE A 734 15.656 11.769 -22.767 1.00 44.36 O ANISOU 450 O ILE A 734 4414 7612 4829 -1610 -136 1774 O ATOM 451 CB ILE A 734 15.179 9.878 -25.124 1.00 48.15 C ANISOU 451 CB ILE A 734 4704 8939 4652 -1708 -31 1454 C ATOM 452 CG1 ILE A 734 14.652 8.617 -25.802 1.00 46.62 C ANISOU 452 CG1 ILE A 734 4460 9047 4208 -1742 39 1141 C ATOM 453 CG2 ILE A 734 16.352 10.465 -25.904 1.00 53.63 C ANISOU 453 CG2 ILE A 734 5285 9792 5302 -1764 -42 1616 C ATOM 454 CD1 ILE A 734 14.041 8.861 -27.157 1.00 46.22 C ANISOU 454 CD1 ILE A 734 4233 9414 3914 -1807 -37 1258 C ATOM 0 H ILE A 734 13.797 9.746 -22.863 1.00 39.11 H new ATOM 0 HA ILE A 734 16.202 8.799 -23.695 1.00 39.05 H new ATOM 0 HB ILE A 734 14.479 10.549 -25.109 1.00 48.15 H new ATOM 0 HG12 ILE A 734 15.380 7.982 -25.895 1.00 46.62 H new ATOM 0 HG13 ILE A 734 13.988 8.205 -25.227 1.00 46.62 H new ATOM 0 HG21 ILE A 734 16.071 10.665 -26.811 1.00 53.63 H new ATOM 0 HG22 ILE A 734 16.652 11.280 -25.472 1.00 53.63 H new ATOM 0 HG23 ILE A 734 17.080 9.824 -25.926 1.00 53.63 H new ATOM 0 HD11 ILE A 734 13.729 8.021 -27.528 1.00 46.22 H new ATOM 0 HD12 ILE A 734 13.293 9.473 -27.070 1.00 46.22 H new ATOM 0 HD13 ILE A 734 14.707 9.247 -27.748 1.00 46.22 H new ATOM 455 N VAL A 735 17.577 10.570 -22.754 1.00 38.17 N ANISOU 455 N VAL A 735 3607 6948 3949 -1652 14 1449 N ATOM 456 CA VAL A 735 18.420 11.641 -22.240 1.00 47.94 C ANISOU 456 CA VAL A 735 4842 7948 5424 -1660 -38 1623 C ATOM 457 C VAL A 735 19.340 12.150 -23.349 1.00 57.50 C ANISOU 457 C VAL A 735 5927 9382 6537 -1726 -34 1785 C ATOM 458 O VAL A 735 20.033 11.360 -23.995 1.00 59.05 O ANISOU 458 O VAL A 735 6064 9833 6538 -1760 46 1633 O ATOM 459 CB VAL A 735 19.278 11.171 -21.038 1.00 45.74 C ANISOU 459 CB VAL A 735 4622 7454 5304 -1632 5 1418 C ATOM 460 CG1 VAL A 735 20.250 12.261 -20.604 1.00 45.74 C ANISOU 460 CG1 VAL A 735 4593 7252 5534 -1659 -46 1554 C ATOM 461 CG2 VAL A 735 18.398 10.766 -19.871 1.00 47.21 C ANISOU 461 CG2 VAL A 735 4915 7423 5602 -1568 -16 1288 C ATOM 0 H VAL A 735 17.990 9.823 -22.860 1.00 38.17 H new ATOM 0 HA VAL A 735 17.837 12.354 -21.934 1.00 47.94 H new ATOM 0 HB VAL A 735 19.788 10.398 -21.325 1.00 45.74 H new ATOM 0 HG11 VAL A 735 20.775 11.946 -19.852 1.00 45.74 H new ATOM 0 HG12 VAL A 735 20.841 12.480 -21.341 1.00 45.74 H new ATOM 0 HG13 VAL A 735 19.753 13.052 -20.342 1.00 45.74 H new ATOM 0 HG21 VAL A 735 18.954 10.476 -19.131 1.00 47.21 H new ATOM 0 HG22 VAL A 735 17.860 11.524 -19.593 1.00 47.21 H new ATOM 0 HG23 VAL A 735 17.816 10.039 -20.142 1.00 47.21 H new ATOM 462 N LYS A 736 19.340 13.462 -23.577 1.00 58.17 N ANISOU 462 N LYS A 736 5960 9364 6778 -1740 -114 2087 N ATOM 463 CA LYS A 736 20.230 14.065 -24.569 1.00 64.96 C ANISOU 463 CA LYS A 736 6687 10414 7581 -1804 -115 2282 C ATOM 464 C LYS A 736 20.485 15.533 -24.255 1.00 71.05 C ANISOU 464 C LYS A 736 7428 10890 8678 -1805 -178 2553 C ATOM 465 O LYS A 736 20.998 15.866 -23.185 1.00 72.16 O ANISOU 465 O LYS A 736 7635 10704 9078 -1796 -175 2464 O ATOM 466 CB LYS A 736 19.653 13.924 -25.979 1.00 64.07 C ANISOU 466 CB LYS A 736 6447 10721 7174 -1836 -138 2406 C ATOM 467 CG LYS A 736 18.462 14.818 -26.271 1.00 64.67 C ANISOU 467 CG LYS A 736 6471 10769 7331 -1801 -238 2693 C ATOM 468 CD LYS A 736 17.827 14.469 -27.620 1.00 65.53 C ANISOU 468 CD LYS A 736 6427 11361 7111 -1837 -268 2761 C ATOM 0 H LYS A 736 18.832 14.022 -23.167 1.00 58.17 H new ATOM 0 HA LYS A 736 21.075 13.590 -24.531 1.00 64.96 H new ATOM 0 HB2 LYS A 736 20.353 14.118 -26.622 1.00 64.07 H new ATOM 0 HB3 LYS A 736 19.390 13.001 -26.116 1.00 64.07 H new ATOM 0 HG2 LYS A 736 17.803 14.724 -25.566 1.00 64.67 H new ATOM 0 HG3 LYS A 736 18.744 15.746 -26.273 1.00 64.67 H new TER 469 LYS A 736 ATOM 470 N LYS B 672 -0.172 5.772 -14.825 1.00 52.30 N ANISOU 470 N LYS B 672 6390 7327 6152 -661 -197 215 N ATOM 471 CA LYS B 672 -1.181 6.238 -13.879 1.00 39.98 C ANISOU 471 CA LYS B 672 4884 5607 4699 -552 -260 249 C ATOM 472 C LYS B 672 -0.605 6.358 -12.450 1.00 41.50 C ANISOU 472 C LYS B 672 5175 5548 5046 -440 -263 205 C ATOM 473 O LYS B 672 -0.494 7.475 -11.953 1.00 46.56 O ANISOU 473 O LYS B 672 5831 6063 5795 -383 -352 302 O ATOM 474 CB LYS B 672 -2.423 5.329 -13.921 1.00 39.53 C ANISOU 474 CB LYS B 672 4804 5632 4582 -564 -201 114 C ATOM 475 CG LYS B 672 -3.750 6.047 -13.746 1.00 44.86 C ANISOU 475 CG LYS B 672 5458 6309 5278 -508 -290 210 C ATOM 476 CD LYS B 672 -3.657 7.474 -14.271 1.00 55.14 C ANISOU 476 CD LYS B 672 6703 7639 6607 -502 -411 458 C ATOM 477 CE LYS B 672 -4.910 8.266 -13.971 1.00 55.59 C ANISOU 477 CE LYS B 672 6729 7643 6748 -419 -494 564 C ATOM 478 NZ LYS B 672 -4.720 9.730 -14.158 1.00 59.41 N ANISOU 478 NZ LYS B 672 7163 8034 7377 -378 -595 813 N ATOM 0 HA LYS B 672 -1.457 7.129 -14.146 1.00 39.98 H new ATOM 0 HB2 LYS B 672 -2.434 4.859 -14.769 1.00 39.53 H new ATOM 0 HB3 LYS B 672 -2.340 4.658 -13.226 1.00 39.53 H new ATOM 0 HG2 LYS B 672 -4.448 5.567 -14.219 1.00 44.86 H new ATOM 0 HG3 LYS B 672 -3.997 6.057 -12.808 1.00 44.86 H new ATOM 0 HD2 LYS B 672 -2.892 7.916 -13.872 1.00 55.14 H new ATOM 0 HD3 LYS B 672 -3.507 7.457 -15.229 1.00 55.14 H new ATOM 0 HE2 LYS B 672 -5.628 7.960 -14.548 1.00 55.59 H new ATOM 0 HE3 LYS B 672 -5.187 8.093 -13.058 1.00 55.59 H new ATOM 0 HZ1 LYS B 672 -5.480 10.154 -13.971 1.00 59.41 H new ATOM 0 HZ2 LYS B 672 -4.078 10.018 -13.613 1.00 59.41 H new ATOM 0 HZ3 LYS B 672 -4.489 9.894 -15.002 1.00 59.41 H new ATOM 479 N PRO B 673 -0.216 5.237 -11.788 1.00 38.11 N ANISOU 479 N PRO B 673 4787 5054 4638 -409 -160 64 N ATOM 480 CA PRO B 673 0.187 5.436 -10.386 1.00 25.74 C ANISOU 480 CA PRO B 673 3282 3323 3175 -296 -179 52 C ATOM 481 C PRO B 673 1.656 5.810 -10.217 1.00 29.73 C ANISOU 481 C PRO B 673 3792 3787 3717 -300 -197 85 C ATOM 482 O PRO B 673 2.294 5.372 -9.262 1.00 32.57 O ANISOU 482 O PRO B 673 4172 4090 4114 -233 -161 41 O ATOM 483 CB PRO B 673 -0.071 4.067 -9.763 1.00 30.96 C ANISOU 483 CB PRO B 673 3957 3955 3852 -255 -59 -52 C ATOM 484 CG PRO B 673 0.325 3.119 -10.879 1.00 33.34 C ANISOU 484 CG PRO B 673 4209 4348 4112 -360 46 -126 C ATOM 485 CD PRO B 673 -0.054 3.821 -12.184 1.00 34.73 C ANISOU 485 CD PRO B 673 4333 4690 4174 -465 -21 -80 C ATOM 0 HA PRO B 673 -0.299 6.171 -9.981 1.00 25.74 H new ATOM 0 HB2 PRO B 673 0.462 3.927 -8.964 1.00 30.96 H new ATOM 0 HB3 PRO B 673 -1.000 3.956 -9.507 1.00 30.96 H new ATOM 0 HG2 PRO B 673 1.276 2.928 -10.851 1.00 33.34 H new ATOM 0 HG3 PRO B 673 -0.138 2.271 -10.794 1.00 33.34 H new ATOM 0 HD2 PRO B 673 0.636 3.716 -12.858 1.00 34.73 H new ATOM 0 HD3 PRO B 673 -0.873 3.460 -12.558 1.00 34.73 H new ATOM 486 N TYR B 674 2.194 6.600 -11.133 1.00 25.03 N ANISOU 486 N TYR B 674 3160 3244 3107 -378 -250 181 N ATOM 487 CA TYR B 674 3.581 7.033 -11.032 1.00 27.59 C ANISOU 487 CA TYR B 674 3475 3531 3475 -396 -269 215 C ATOM 488 C TYR B 674 3.748 8.255 -11.899 1.00 28.20 C ANISOU 488 C TYR B 674 3503 3630 3583 -468 -351 372 C ATOM 489 O TYR B 674 2.911 8.513 -12.768 1.00 34.36 O ANISOU 489 O TYR B 674 4241 4507 4309 -513 -376 467 O ATOM 490 CB TYR B 674 4.546 5.926 -11.490 1.00 28.63 C ANISOU 490 CB TYR B 674 3586 3749 3543 -442 -159 150 C ATOM 491 CG TYR B 674 4.311 5.489 -12.924 1.00 30.32 C ANISOU 491 CG TYR B 674 3739 4143 3638 -556 -105 144 C ATOM 492 CD1 TYR B 674 4.876 6.187 -13.990 1.00 29.89 C ANISOU 492 CD1 TYR B 674 3620 4221 3516 -656 -143 258 C ATOM 493 CD2 TYR B 674 3.507 4.388 -13.213 1.00 28.92 C ANISOU 493 CD2 TYR B 674 3546 4030 3411 -575 -11 17 C ATOM 494 CE1 TYR B 674 4.646 5.801 -15.307 1.00 32.70 C ANISOU 494 CE1 TYR B 674 3890 4820 3715 -769 -95 243 C ATOM 495 CE2 TYR B 674 3.268 3.995 -14.533 1.00 34.35 C ANISOU 495 CE2 TYR B 674 4149 4935 3966 -696 40 -39 C ATOM 496 CZ TYR B 674 3.843 4.700 -15.569 1.00 36.39 C ANISOU 496 CZ TYR B 674 4337 5373 4116 -791 -5 72 C ATOM 497 OH TYR B 674 3.614 4.313 -16.868 1.00 32.64 O ANISOU 497 OH TYR B 674 3750 5187 3466 -918 46 9 O ATOM 0 H TYR B 674 1.774 6.898 -11.822 1.00 25.03 H new ATOM 0 HA TYR B 674 3.791 7.236 -10.107 1.00 27.59 H new ATOM 0 HB2 TYR B 674 5.459 6.242 -11.399 1.00 28.63 H new ATOM 0 HB3 TYR B 674 4.451 5.159 -10.904 1.00 28.63 H new ATOM 0 HD1 TYR B 674 5.416 6.924 -13.818 1.00 29.89 H new ATOM 0 HD2 TYR B 674 3.123 3.907 -12.516 1.00 28.92 H new ATOM 0 HE1 TYR B 674 5.028 6.278 -16.008 1.00 32.70 H new ATOM 0 HE2 TYR B 674 2.724 3.262 -14.711 1.00 34.35 H new ATOM 0 HH TYR B 674 4.142 4.720 -17.379 1.00 32.64 H new ATOM 498 N THR B 675 4.828 8.999 -11.686 1.00 24.48 N ANISOU 498 N THR B 675 3016 3082 3204 -483 -391 417 N ATOM 499 CA THR B 675 5.241 9.993 -12.673 1.00 28.53 C ANISOU 499 CA THR B 675 3457 3625 3757 -573 -440 601 C ATOM 500 C THR B 675 6.677 9.705 -13.057 1.00 31.89 C ANISOU 500 C THR B 675 3853 4130 4134 -642 -394 600 C ATOM 501 O THR B 675 7.472 9.237 -12.236 1.00 29.93 O ANISOU 501 O THR B 675 3637 3830 3907 -599 -362 473 O ATOM 502 CB THR B 675 5.121 11.436 -12.147 1.00 36.32 C ANISOU 502 CB THR B 675 4421 4401 4977 -542 -531 680 C ATOM 503 OG1 THR B 675 5.934 11.587 -10.978 1.00 43.18 O ANISOU 503 OG1 THR B 675 5315 5146 5946 -499 -539 527 O ATOM 504 CG2 THR B 675 3.672 11.758 -11.807 1.00 39.12 C ANISOU 504 CG2 THR B 675 4788 4679 5397 -465 -571 681 C ATOM 0 H THR B 675 5.329 8.947 -10.989 1.00 24.48 H new ATOM 0 HA THR B 675 4.651 9.927 -13.440 1.00 28.53 H new ATOM 0 HB THR B 675 5.423 12.048 -12.836 1.00 36.32 H new ATOM 0 HG1 THR B 675 6.711 11.814 -11.204 1.00 43.18 H new ATOM 0 HG21 THR B 675 3.611 12.668 -11.478 1.00 39.12 H new ATOM 0 HG22 THR B 675 3.124 11.665 -12.602 1.00 39.12 H new ATOM 0 HG23 THR B 675 3.356 11.146 -11.124 1.00 39.12 H new ATOM 505 N VAL B 676 6.988 9.951 -14.320 1.00 32.56 N ANISOU 505 N VAL B 676 3860 4375 4138 -748 -387 752 N ATOM 506 CA VAL B 676 8.344 9.868 -14.841 1.00 29.27 C ANISOU 506 CA VAL B 676 3391 4054 3679 -828 -347 780 C ATOM 507 C VAL B 676 8.564 11.146 -15.631 1.00 32.36 C ANISOU 507 C VAL B 676 3689 4459 4149 -910 -410 1045 C ATOM 508 O VAL B 676 7.697 11.538 -16.402 1.00 34.45 O ANISOU 508 O VAL B 676 3896 4829 4366 -939 -441 1217 O ATOM 509 CB VAL B 676 8.572 8.663 -15.777 1.00 35.23 C ANISOU 509 CB VAL B 676 4103 5065 4217 -895 -240 690 C ATOM 510 CG1 VAL B 676 9.969 8.753 -16.406 1.00 36.95 C ANISOU 510 CG1 VAL B 676 4244 5401 4394 -985 -202 741 C ATOM 511 CG2 VAL B 676 8.415 7.359 -15.052 1.00 30.29 C ANISOU 511 CG2 VAL B 676 3546 4387 3577 -816 -155 457 C ATOM 0 H VAL B 676 6.405 10.176 -14.911 1.00 32.56 H new ATOM 0 HA VAL B 676 8.960 9.755 -14.100 1.00 29.27 H new ATOM 0 HB VAL B 676 7.898 8.693 -16.474 1.00 35.23 H new ATOM 0 HG11 VAL B 676 10.109 7.994 -16.994 1.00 36.95 H new ATOM 0 HG12 VAL B 676 10.042 9.575 -16.917 1.00 36.95 H new ATOM 0 HG13 VAL B 676 10.640 8.747 -15.706 1.00 36.95 H new ATOM 0 HG21 VAL B 676 8.565 6.626 -15.669 1.00 30.29 H new ATOM 0 HG22 VAL B 676 9.061 7.310 -14.330 1.00 30.29 H new ATOM 0 HG23 VAL B 676 7.518 7.297 -14.688 1.00 30.29 H new ATOM 512 N ALA B 677 9.698 11.801 -15.427 1.00 35.27 N ANISOU 512 N ALA B 677 4024 4726 4650 -947 -426 1095 N ATOM 513 CA ALA B 677 10.038 12.996 -16.194 1.00 38.06 C ANISOU 513 CA ALA B 677 4268 5073 5119 -1035 -468 1375 C ATOM 514 C ALA B 677 11.538 13.130 -16.314 1.00 38.42 C ANISOU 514 C ALA B 677 4263 5142 5194 -1112 -437 1383 C ATOM 515 O ALA B 677 12.284 12.684 -15.441 1.00 44.03 O ANISOU 515 O ALA B 677 5026 5772 5931 -1073 -417 1172 O ATOM 516 CB ALA B 677 9.448 14.243 -15.547 1.00 37.85 C ANISOU 516 CB ALA B 677 4237 4744 5401 -982 -547 1465 C ATOM 0 H ALA B 677 10.289 11.570 -14.846 1.00 35.27 H new ATOM 0 HA ALA B 677 9.658 12.906 -17.082 1.00 38.06 H new ATOM 0 HB1 ALA B 677 9.686 15.023 -16.072 1.00 37.85 H new ATOM 0 HB2 ALA B 677 8.482 14.162 -15.508 1.00 37.85 H new ATOM 0 HB3 ALA B 677 9.800 14.339 -14.648 1.00 37.85 H new ATOM 517 N VAL B 678 11.972 13.743 -17.407 1.00 39.57 N ANISOU 517 N VAL B 678 4286 5425 5323 -1221 -433 1649 N ATOM 518 CA VAL B 678 13.374 14.038 -17.642 1.00 40.26 C ANISOU 518 CA VAL B 678 4299 5540 5457 -1312 -405 1704 C ATOM 519 C VAL B 678 13.567 15.529 -17.853 1.00 47.03 C ANISOU 519 C VAL B 678 5062 6211 6597 -1351 -456 1969 C ATOM 520 O VAL B 678 12.825 16.155 -18.607 1.00 49.21 O ANISOU 520 O VAL B 678 5275 6538 6886 -1323 -488 2196 O ATOM 521 CB VAL B 678 13.910 13.299 -18.873 1.00 45.33 C ANISOU 521 CB VAL B 678 4855 6571 5797 -1408 -326 1760 C ATOM 522 CG1 VAL B 678 15.427 13.471 -18.995 1.00 42.96 C ANISOU 522 CG1 VAL B 678 4489 6299 5533 -1478 -289 1761 C ATOM 523 CG2 VAL B 678 13.526 11.852 -18.805 1.00 44.93 C ANISOU 523 CG2 VAL B 678 4881 6680 5512 -1353 -260 1480 C ATOM 0 H VAL B 678 11.452 14.002 -18.041 1.00 39.57 H new ATOM 0 HA VAL B 678 13.864 13.740 -16.860 1.00 40.26 H new ATOM 0 HB VAL B 678 13.512 13.683 -19.670 1.00 45.33 H new ATOM 0 HG11 VAL B 678 15.745 12.996 -19.779 1.00 42.96 H new ATOM 0 HG12 VAL B 678 15.640 14.413 -19.080 1.00 42.96 H new ATOM 0 HG13 VAL B 678 15.858 13.112 -18.204 1.00 42.96 H new ATOM 0 HG21 VAL B 678 13.868 11.389 -19.586 1.00 44.93 H new ATOM 0 HG22 VAL B 678 13.902 11.455 -18.004 1.00 44.93 H new ATOM 0 HG23 VAL B 678 12.559 11.774 -18.781 1.00 44.93 H new ATOM 524 N SER B 679 14.569 16.090 -17.187 1.00 43.20 N ANISOU 524 N SER B 679 4564 5518 6331 -1370 -463 1887 N ATOM 525 CA SER B 679 14.954 17.477 -17.392 1.00 49.68 C ANISOU 525 CA SER B 679 5298 6150 7429 -1374 -485 2055 C ATOM 526 C SER B 679 16.472 17.564 -17.332 1.00 55.03 C ANISOU 526 C SER B 679 5929 6845 8134 -1451 -448 1988 C ATOM 527 O SER B 679 17.076 17.334 -16.282 1.00 53.80 O ANISOU 527 O SER B 679 5809 6569 8065 -1461 -451 1743 O ATOM 528 CB SER B 679 14.317 18.391 -16.347 1.00 53.53 C ANISOU 528 CB SER B 679 5810 6260 8269 -1303 -535 1963 C ATOM 529 OG SER B 679 14.631 19.745 -16.616 1.00 59.89 O ANISOU 529 OG SER B 679 6509 6876 9369 -1306 -537 2122 O ATOM 0 H SER B 679 15.045 15.675 -16.603 1.00 43.20 H new ATOM 0 HA SER B 679 14.637 17.776 -18.259 1.00 49.68 H new ATOM 0 HB2 SER B 679 13.355 18.270 -16.347 1.00 53.53 H new ATOM 0 HB3 SER B 679 14.633 18.150 -15.462 1.00 53.53 H new ATOM 0 HG SER B 679 14.274 20.236 -16.036 1.00 59.89 H new ATOM 530 N GLY B 680 17.087 17.887 -18.463 1.00 53.13 N ANISOU 530 N GLY B 680 5591 6786 7811 -1504 -418 2206 N ATOM 531 CA GLY B 680 18.528 17.809 -18.572 1.00 56.25 C ANISOU 531 CA GLY B 680 5937 7260 8176 -1581 -373 2154 C ATOM 532 C GLY B 680 18.929 16.350 -18.644 1.00 61.25 C ANISOU 532 C GLY B 680 6612 8174 8485 -1601 -320 1975 C ATOM 533 O GLY B 680 18.410 15.593 -19.472 1.00 60.48 O ANISOU 533 O GLY B 680 6515 8354 8109 -1596 -292 2020 O ATOM 0 H GLY B 680 16.685 18.153 -19.175 1.00 53.13 H new ATOM 0 HA2 GLY B 680 18.832 18.281 -19.363 1.00 56.25 H new ATOM 0 HA3 GLY B 680 18.947 18.236 -17.808 1.00 56.25 H new ATOM 534 N LYS B 681 19.846 15.949 -17.770 1.00 57.04 N ANISOU 534 N LYS B 681 6093 7582 7997 -1620 -303 1752 N ATOM 535 CA LYS B 681 20.256 14.555 -17.697 1.00 52.04 C ANISOU 535 CA LYS B 681 5482 7178 7114 -1617 -245 1567 C ATOM 536 C LYS B 681 19.603 13.878 -16.494 1.00 44.73 C ANISOU 536 C LYS B 681 4660 6130 6207 -1526 -277 1336 C ATOM 537 O LYS B 681 19.960 12.759 -16.121 1.00 45.50 O ANISOU 537 O LYS B 681 4799 6334 6153 -1454 -229 1130 O ATOM 538 CB LYS B 681 21.781 14.443 -17.618 1.00 52.30 C ANISOU 538 CB LYS B 681 5439 7283 7149 -1667 -202 1487 C ATOM 0 H LYS B 681 20.242 16.469 -17.211 1.00 57.04 H new ATOM 0 HA LYS B 681 19.963 14.103 -18.504 1.00 52.04 H new ATOM 539 N THR B 682 18.625 14.546 -15.897 1.00 38.60 N ANISOU 539 N THR B 682 3942 5117 5608 -1475 -348 1343 N ATOM 540 CA THR B 682 18.048 14.034 -14.664 1.00 37.83 C ANISOU 540 CA THR B 682 3958 4901 5514 -1340 -381 1089 C ATOM 541 C THR B 682 16.725 13.327 -14.893 1.00 39.53 C ANISOU 541 C THR B 682 4269 5182 5570 -1256 -369 1079 C ATOM 542 O THR B 682 15.773 13.923 -15.398 1.00 41.62 O ANISOU 542 O THR B 682 4529 5396 5889 -1272 -401 1250 O ATOM 543 CB THR B 682 17.844 15.163 -13.640 1.00 49.68 C ANISOU 543 CB THR B 682 5451 6108 7318 -1330 -460 1015 C ATOM 544 OG1 THR B 682 19.109 15.775 -13.352 1.00 55.41 O ANISOU 544 OG1 THR B 682 6074 6779 8201 -1419 -466 975 O ATOM 545 CG2 THR B 682 17.250 14.613 -12.353 1.00 41.26 C ANISOU 545 CG2 THR B 682 4481 4987 6209 -1194 -490 753 C ATOM 0 H THR B 682 18.287 15.283 -16.183 1.00 38.60 H new ATOM 0 HA THR B 682 18.682 13.387 -14.317 1.00 37.83 H new ATOM 0 HB THR B 682 17.234 15.818 -14.013 1.00 49.68 H new ATOM 0 HG1 THR B 682 19.667 15.182 -13.146 1.00 55.41 H new ATOM 0 HG21 THR B 682 17.127 15.336 -11.718 1.00 41.26 H new ATOM 0 HG22 THR B 682 16.393 14.201 -12.542 1.00 41.26 H new ATOM 0 HG23 THR B 682 17.850 13.951 -11.976 1.00 41.26 H new ATOM 546 N ILE B 683 16.667 12.052 -14.513 1.00 30.63 N ANISOU 546 N ILE B 683 3210 4161 4267 -1167 -319 892 N ATOM 547 CA ILE B 683 15.426 11.306 -14.601 1.00 26.71 C ANISOU 547 CA ILE B 683 2797 3708 3645 -1091 -300 843 C ATOM 548 C ILE B 683 14.783 11.269 -13.229 1.00 34.95 C ANISOU 548 C ILE B 683 3926 4572 4780 -970 -350 686 C ATOM 549 O ILE B 683 15.377 10.740 -12.289 1.00 35.78 O ANISOU 549 O ILE B 683 4042 4672 4879 -902 -338 534 O ATOM 550 CB ILE B 683 15.642 9.864 -15.098 1.00 31.22 C ANISOU 550 CB ILE B 683 3369 4486 4006 -1073 -190 732 C ATOM 551 CG1 ILE B 683 16.382 9.852 -16.436 1.00 37.05 C ANISOU 551 CG1 ILE B 683 3997 5459 4622 -1201 -128 843 C ATOM 552 CG2 ILE B 683 14.307 9.139 -15.209 1.00 33.67 C ANISOU 552 CG2 ILE B 683 3749 4825 4218 -1014 -164 667 C ATOM 553 CD1 ILE B 683 16.693 8.446 -16.968 1.00 30.21 C ANISOU 553 CD1 ILE B 683 3100 4793 3585 -1195 1 679 C ATOM 0 H ILE B 683 17.334 11.607 -14.203 1.00 30.63 H new ATOM 0 HA ILE B 683 14.854 11.753 -15.245 1.00 26.71 H new ATOM 0 HB ILE B 683 16.193 9.396 -14.451 1.00 31.22 H new ATOM 0 HG12 ILE B 683 15.849 10.325 -17.094 1.00 37.05 H new ATOM 0 HG13 ILE B 683 17.214 10.342 -16.339 1.00 37.05 H new ATOM 0 HG21 ILE B 683 14.456 8.233 -15.522 1.00 33.67 H new ATOM 0 HG22 ILE B 683 13.879 9.114 -14.339 1.00 33.67 H new ATOM 0 HG23 ILE B 683 13.735 9.608 -15.836 1.00 33.67 H new ATOM 0 HD11 ILE B 683 17.160 8.516 -17.815 1.00 30.21 H new ATOM 0 HD12 ILE B 683 17.251 7.974 -16.330 1.00 30.21 H new ATOM 0 HD13 ILE B 683 15.865 7.958 -17.096 1.00 30.21 H new ATOM 554 N THR B 684 13.578 11.822 -13.105 1.00 26.76 N ANISOU 554 N THR B 684 2932 3417 3819 -939 -404 732 N ATOM 555 CA THR B 684 12.883 11.821 -11.816 1.00 32.04 C ANISOU 555 CA THR B 684 3668 3947 4559 -827 -447 573 C ATOM 556 C THR B 684 11.666 10.931 -11.863 1.00 37.00 C ANISOU 556 C THR B 684 4374 4631 5054 -751 -414 535 C ATOM 557 O THR B 684 10.832 11.044 -12.761 1.00 36.26 O ANISOU 557 O THR B 684 4278 4585 4914 -785 -414 657 O ATOM 558 CB THR B 684 12.463 13.234 -11.385 1.00 35.39 C ANISOU 558 CB THR B 684 4063 4148 5235 -840 -529 600 C ATOM 559 OG1 THR B 684 13.637 14.015 -11.140 1.00 37.73 O ANISOU 559 OG1 THR B 684 4275 4369 5690 -915 -551 580 O ATOM 560 CG2 THR B 684 11.644 13.189 -10.106 1.00 38.13 C ANISOU 560 CG2 THR B 684 4465 4403 5622 -729 -563 409 C ATOM 0 H THR B 684 13.148 12.200 -13.747 1.00 26.76 H new ATOM 0 HA THR B 684 13.511 11.478 -11.162 1.00 32.04 H new ATOM 0 HB THR B 684 11.927 13.624 -12.093 1.00 35.39 H new ATOM 0 HG1 THR B 684 13.870 14.401 -11.849 1.00 37.73 H new ATOM 0 HG21 THR B 684 11.390 14.090 -9.852 1.00 38.13 H new ATOM 0 HG22 THR B 684 10.846 12.657 -10.251 1.00 38.13 H new ATOM 0 HG23 THR B 684 12.173 12.791 -9.397 1.00 38.13 H new ATOM 561 N VAL B 685 11.583 10.035 -10.888 1.00 30.50 N ANISOU 561 N VAL B 685 3598 3821 4168 -650 -385 379 N ATOM 562 CA VAL B 685 10.538 9.019 -10.851 1.00 31.15 C ANISOU 562 CA VAL B 685 3744 3949 4144 -580 -333 329 C ATOM 563 C VAL B 685 9.866 9.039 -9.494 1.00 31.26 C ANISOU 563 C VAL B 685 3800 3878 4201 -470 -371 221 C ATOM 564 O VAL B 685 10.535 9.045 -8.464 1.00 33.03 O ANISOU 564 O VAL B 685 3998 4107 4445 -421 -389 136 O ATOM 565 CB VAL B 685 11.118 7.621 -11.127 1.00 30.65 C ANISOU 565 CB VAL B 685 3669 4006 3970 -566 -220 273 C ATOM 566 CG1 VAL B 685 10.019 6.569 -11.126 1.00 29.48 C ANISOU 566 CG1 VAL B 685 3568 3872 3761 -510 -150 210 C ATOM 567 CG2 VAL B 685 11.870 7.627 -12.460 1.00 35.84 C ANISOU 567 CG2 VAL B 685 4262 4790 4565 -684 -175 344 C ATOM 0 H VAL B 685 12.132 9.998 -10.227 1.00 30.50 H new ATOM 0 HA VAL B 685 9.888 9.218 -11.543 1.00 31.15 H new ATOM 0 HB VAL B 685 11.741 7.394 -10.419 1.00 30.65 H new ATOM 0 HG11 VAL B 685 10.405 5.697 -11.302 1.00 29.48 H new ATOM 0 HG12 VAL B 685 9.580 6.560 -10.261 1.00 29.48 H new ATOM 0 HG13 VAL B 685 9.369 6.779 -11.815 1.00 29.48 H new ATOM 0 HG21 VAL B 685 12.234 6.744 -12.630 1.00 35.84 H new ATOM 0 HG22 VAL B 685 11.260 7.868 -13.175 1.00 35.84 H new ATOM 0 HG23 VAL B 685 12.593 8.272 -12.421 1.00 35.84 H new ATOM 568 N GLU B 686 8.541 9.075 -9.486 1.00 26.98 N ANISOU 568 N GLU B 686 3302 3293 3655 -434 -386 223 N ATOM 569 CA GLU B 686 7.805 9.082 -8.225 1.00 35.53 C ANISOU 569 CA GLU B 686 4413 4326 4760 -331 -414 117 C ATOM 570 C GLU B 686 6.693 8.052 -8.294 1.00 38.55 C ANISOU 570 C GLU B 686 4845 4750 5052 -279 -351 108 C ATOM 571 O GLU B 686 5.873 8.093 -9.217 1.00 32.73 O ANISOU 571 O GLU B 686 4121 4020 4294 -324 -346 170 O ATOM 572 CB GLU B 686 7.225 10.471 -7.936 1.00 43.34 C ANISOU 572 CB GLU B 686 5385 5177 5906 -336 -504 102 C ATOM 573 CG GLU B 686 8.014 11.295 -6.924 1.00 62.85 C ANISOU 573 CG GLU B 686 7796 7597 8487 -333 -558 -26 C ATOM 574 CD GLU B 686 7.623 10.996 -5.476 1.00 71.96 C ANISOU 574 CD GLU B 686 8942 8823 9575 -230 -565 -195 C ATOM 575 OE1 GLU B 686 6.465 10.585 -5.231 1.00 68.31 O ANISOU 575 OE1 GLU B 686 8524 8371 9058 -163 -547 -204 O ATOM 576 OE2 GLU B 686 8.478 11.173 -4.579 1.00 82.91 O1+ ANISOU 576 OE2 GLU B 686 10263 10290 10951 -223 -587 -316 O1+ ATOM 0 H GLU B 686 8.050 9.096 -10.192 1.00 26.98 H new ATOM 0 HA GLU B 686 8.413 8.859 -7.503 1.00 35.53 H new ATOM 0 HB2 GLU B 686 7.175 10.966 -8.769 1.00 43.34 H new ATOM 0 HB3 GLU B 686 6.317 10.367 -7.612 1.00 43.34 H new ATOM 0 HG2 GLU B 686 8.961 11.121 -7.041 1.00 62.85 H new ATOM 0 HG3 GLU B 686 7.875 12.238 -7.103 1.00 62.85 H new ATOM 577 N SER B 687 6.674 7.122 -7.337 1.00 31.74 N ANISOU 577 N SER B 687 3991 3933 4138 -189 -299 47 N ATOM 578 CA SER B 687 5.585 6.144 -7.245 1.00 30.19 C ANISOU 578 CA SER B 687 3828 3748 3895 -139 -229 36 C ATOM 579 C SER B 687 5.520 5.523 -5.852 1.00 27.93 C ANISOU 579 C SER B 687 3524 3506 3582 -24 -200 7 C ATOM 580 O SER B 687 6.242 4.569 -5.546 1.00 23.86 O ANISOU 580 O SER B 687 2973 3038 3055 18 -123 44 O ATOM 581 CB SER B 687 5.736 5.043 -8.293 1.00 31.22 C ANISOU 581 CB SER B 687 3953 3915 3995 -193 -119 51 C ATOM 582 OG SER B 687 4.556 4.240 -8.355 1.00 28.29 O ANISOU 582 OG SER B 687 3602 3536 3612 -173 -52 20 O ATOM 0 H SER B 687 7.280 7.040 -6.732 1.00 31.74 H new ATOM 0 HA SER B 687 4.758 6.621 -7.415 1.00 30.19 H new ATOM 0 HB2 SER B 687 5.910 5.438 -9.162 1.00 31.22 H new ATOM 0 HB3 SER B 687 6.500 4.487 -8.077 1.00 31.22 H new ATOM 0 HG SER B 687 3.922 4.696 -8.664 1.00 28.29 H new ATOM 583 N PRO B 688 4.638 6.062 -5.004 1.00 32.61 N ANISOU 583 N PRO B 688 4122 4101 4168 31 -256 -44 N ATOM 584 CA PRO B 688 4.484 5.612 -3.613 1.00 34.86 C ANISOU 584 CA PRO B 688 4365 4490 4389 136 -239 -61 C ATOM 585 C PRO B 688 4.185 4.121 -3.523 1.00 22.93 C ANISOU 585 C PRO B 688 2850 2999 2866 188 -114 32 C ATOM 586 O PRO B 688 3.308 3.652 -4.255 1.00 24.80 O ANISOU 586 O PRO B 688 3129 3155 3138 154 -59 36 O ATOM 587 CB PRO B 688 3.295 6.439 -3.101 1.00 43.34 C ANISOU 587 CB PRO B 688 5449 5550 5469 162 -303 -152 C ATOM 588 CG PRO B 688 3.216 7.614 -4.011 1.00 42.78 C ANISOU 588 CG PRO B 688 5403 5346 5505 80 -378 -181 C ATOM 589 CD PRO B 688 3.679 7.125 -5.357 1.00 34.32 C ANISOU 589 CD PRO B 688 4364 4235 4442 -1 -332 -78 C ATOM 0 HA PRO B 688 5.294 5.738 -3.095 1.00 34.86 H new ATOM 0 HB2 PRO B 688 2.474 5.923 -3.123 1.00 43.34 H new ATOM 0 HB3 PRO B 688 3.431 6.716 -2.182 1.00 43.34 H new ATOM 0 HG2 PRO B 688 2.310 7.957 -4.059 1.00 42.78 H new ATOM 0 HG3 PRO B 688 3.777 8.339 -3.693 1.00 42.78 H new ATOM 0 HD2 PRO B 688 2.943 6.784 -5.889 1.00 34.32 H new ATOM 0 HD3 PRO B 688 4.098 7.832 -5.872 1.00 34.32 H new ATOM 590 N ALA B 689 4.908 3.405 -2.659 1.00 27.18 N ANISOU 590 N ALA B 689 3316 3642 3370 267 -66 112 N ATOM 591 CA ALA B 689 4.745 1.957 -2.478 1.00 27.63 C ANISOU 591 CA ALA B 689 3338 3683 3478 329 71 240 C ATOM 592 C ALA B 689 5.020 1.187 -3.759 1.00 29.28 C ANISOU 592 C ALA B 689 3572 3744 3809 260 173 239 C ATOM 593 O ALA B 689 4.295 0.256 -4.098 1.00 41.96 O ANISOU 593 O ALA B 689 5181 5256 5506 255 283 251 O ATOM 594 CB ALA B 689 3.339 1.629 -1.964 1.00 31.59 C ANISOU 594 CB ALA B 689 3849 4189 3965 373 104 255 C ATOM 0 H ALA B 689 5.514 3.749 -2.155 1.00 27.18 H new ATOM 0 HA ALA B 689 5.399 1.679 -1.818 1.00 27.63 H new ATOM 0 HB1 ALA B 689 3.251 0.670 -1.851 1.00 31.59 H new ATOM 0 HB2 ALA B 689 3.195 2.069 -1.112 1.00 31.59 H new ATOM 0 HB3 ALA B 689 2.680 1.941 -2.604 1.00 31.59 H new ATOM 595 N ALA B 690 6.056 1.589 -4.480 1.00 28.55 N ANISOU 595 N ALA B 690 3481 3642 3723 195 143 202 N ATOM 596 CA ALA B 690 6.473 0.869 -5.677 1.00 24.07 C ANISOU 596 CA ALA B 690 2910 2986 3251 125 247 173 C ATOM 597 C ALA B 690 7.985 0.701 -5.651 1.00 31.42 C ANISOU 597 C ALA B 690 3773 3955 4210 144 266 222 C ATOM 598 O ALA B 690 8.706 1.533 -5.066 1.00 26.14 O ANISOU 598 O ALA B 690 3084 3388 3460 162 160 242 O ATOM 599 CB ALA B 690 6.025 1.602 -6.947 1.00 25.90 C ANISOU 599 CB ALA B 690 3203 3202 3437 -5 194 69 C ATOM 0 H ALA B 690 6.534 2.279 -4.294 1.00 28.55 H new ATOM 0 HA ALA B 690 6.052 -0.005 -5.687 1.00 24.07 H new ATOM 0 HB1 ALA B 690 6.314 1.104 -7.727 1.00 25.90 H new ATOM 0 HB2 ALA B 690 5.058 1.679 -6.953 1.00 25.90 H new ATOM 0 HB3 ALA B 690 6.419 2.488 -6.965 1.00 25.90 H new ATOM 600 N GLY B 691 8.451 -0.391 -6.258 1.00 28.34 N ANISOU 600 N GLY B 691 3332 3485 3952 139 409 222 N ATOM 601 CA GLY B 691 9.869 -0.612 -6.455 1.00 25.57 C ANISOU 601 CA GLY B 691 2907 3160 3649 149 445 253 C ATOM 602 C GLY B 691 10.219 -0.036 -7.814 1.00 27.48 C ANISOU 602 C GLY B 691 3181 3421 3840 6 421 125 C ATOM 603 O GLY B 691 9.556 -0.327 -8.808 1.00 31.07 O ANISOU 603 O GLY B 691 3658 3838 4308 -82 483 14 O ATOM 0 H GLY B 691 7.949 -1.019 -6.564 1.00 28.34 H new ATOM 0 HA2 GLY B 691 10.385 -0.181 -5.756 1.00 25.57 H new ATOM 0 HA3 GLY B 691 10.078 -1.559 -6.419 1.00 25.57 H new ATOM 604 N LEU B 692 11.244 0.803 -7.871 1.00 28.37 N ANISOU 604 N LEU B 692 3277 3620 3880 -26 331 143 N ATOM 605 CA LEU B 692 11.589 1.458 -9.135 1.00 26.48 C ANISOU 605 CA LEU B 692 3053 3429 3579 -165 302 68 C ATOM 606 C LEU B 692 12.924 0.941 -9.629 1.00 37.54 C ANISOU 606 C LEU B 692 4362 4863 5037 -178 390 54 C ATOM 607 O LEU B 692 13.809 0.685 -8.819 1.00 29.92 O ANISOU 607 O LEU B 692 3331 3912 4123 -85 396 134 O ATOM 608 CB LEU B 692 11.635 2.972 -8.943 1.00 23.35 C ANISOU 608 CB LEU B 692 2700 3082 3090 -214 136 99 C ATOM 609 CG LEU B 692 10.429 3.558 -8.199 1.00 28.37 C ANISOU 609 CG LEU B 692 3404 3680 3697 -174 47 104 C ATOM 610 CD1 LEU B 692 10.715 4.996 -7.818 1.00 28.23 C ANISOU 610 CD1 LEU B 692 3391 3676 3659 -208 -95 108 C ATOM 611 CD2 LEU B 692 9.164 3.464 -9.039 1.00 30.19 C ANISOU 611 CD2 LEU B 692 3688 3878 3905 -234 70 64 C ATOM 0 H LEU B 692 11.748 1.007 -7.204 1.00 28.37 H new ATOM 0 HA LEU B 692 10.912 1.255 -9.799 1.00 26.48 H new ATOM 0 HB2 LEU B 692 12.442 3.200 -8.456 1.00 23.35 H new ATOM 0 HB3 LEU B 692 11.700 3.395 -9.814 1.00 23.35 H new ATOM 0 HG LEU B 692 10.281 3.039 -7.393 1.00 28.37 H new ATOM 0 HD11 LEU B 692 9.951 5.364 -7.348 1.00 28.23 H new ATOM 0 HD12 LEU B 692 11.495 5.029 -7.243 1.00 28.23 H new ATOM 0 HD13 LEU B 692 10.882 5.516 -8.619 1.00 28.23 H new ATOM 0 HD21 LEU B 692 8.419 3.841 -8.545 1.00 30.19 H new ATOM 0 HD22 LEU B 692 9.287 3.957 -9.865 1.00 30.19 H new ATOM 0 HD23 LEU B 692 8.979 2.534 -9.243 1.00 30.19 H new ATOM 612 N THR B 693 13.075 0.782 -10.944 1.00 25.63 N ANISOU 612 N THR B 693 2829 3401 3509 -293 458 -47 N ATOM 613 CA THR B 693 14.342 0.339 -11.512 1.00 26.70 C ANISOU 613 CA THR B 693 2864 3587 3693 -316 549 -87 C ATOM 614 C THR B 693 14.621 1.116 -12.788 1.00 28.77 C ANISOU 614 C THR B 693 3114 4001 3816 -475 512 -133 C ATOM 615 O THR B 693 13.717 1.372 -13.586 1.00 28.78 O ANISOU 615 O THR B 693 3147 4069 3720 -569 498 -183 O ATOM 616 CB THR B 693 14.339 -1.178 -11.831 1.00 33.83 C ANISOU 616 CB THR B 693 3685 4396 4772 -276 751 -203 C ATOM 617 OG1 THR B 693 13.856 -1.909 -10.694 1.00 39.66 O ANISOU 617 OG1 THR B 693 4428 4986 5657 -133 794 -114 O ATOM 618 CG2 THR B 693 15.749 -1.674 -12.203 1.00 29.96 C ANISOU 618 CG2 THR B 693 3071 3938 4374 -267 853 -239 C ATOM 0 H THR B 693 12.455 0.926 -11.522 1.00 25.63 H new ATOM 0 HA THR B 693 15.034 0.503 -10.852 1.00 26.70 H new ATOM 0 HB THR B 693 13.755 -1.326 -12.591 1.00 33.83 H new ATOM 0 HG1 THR B 693 13.017 -1.943 -10.718 1.00 39.66 H new ATOM 0 HG21 THR B 693 15.717 -2.624 -12.397 1.00 29.96 H new ATOM 0 HG22 THR B 693 16.065 -1.195 -12.985 1.00 29.96 H new ATOM 0 HG23 THR B 693 16.354 -1.516 -11.461 1.00 29.96 H new ATOM 619 N ILE B 694 15.867 1.510 -12.984 1.00 29.05 N ANISOU 619 N ILE B 694 3086 4118 3834 -506 495 -94 N ATOM 620 CA ILE B 694 16.248 2.064 -14.277 1.00 27.32 C ANISOU 620 CA ILE B 694 2820 4073 3490 -659 493 -119 C ATOM 621 C ILE B 694 17.258 1.141 -14.936 1.00 34.70 C ANISOU 621 C ILE B 694 3628 5082 4475 -676 650 -242 C ATOM 622 O ILE B 694 18.250 0.732 -14.311 1.00 29.44 O ANISOU 622 O ILE B 694 2903 4356 3927 -583 689 -216 O ATOM 623 CB ILE B 694 16.816 3.474 -14.139 1.00 22.92 C ANISOU 623 CB ILE B 694 2275 3560 2874 -715 345 30 C ATOM 624 CG1 ILE B 694 15.753 4.398 -13.532 1.00 28.77 C ANISOU 624 CG1 ILE B 694 3121 4203 3606 -698 207 117 C ATOM 625 CG2 ILE B 694 17.265 3.998 -15.513 1.00 23.89 C ANISOU 625 CG2 ILE B 694 2322 3884 2871 -873 358 55 C ATOM 626 CD1 ILE B 694 16.131 5.845 -13.514 1.00 28.41 C ANISOU 626 CD1 ILE B 694 3074 4159 3561 -771 78 243 C ATOM 0 H ILE B 694 16.496 1.469 -12.399 1.00 29.05 H new ATOM 0 HA ILE B 694 15.455 2.130 -14.832 1.00 27.32 H new ATOM 0 HB ILE B 694 17.588 3.455 -13.552 1.00 22.92 H new ATOM 0 HG12 ILE B 694 14.928 4.297 -14.032 1.00 28.77 H new ATOM 0 HG13 ILE B 694 15.571 4.111 -12.623 1.00 28.77 H new ATOM 0 HG21 ILE B 694 17.624 4.894 -15.416 1.00 23.89 H new ATOM 0 HG22 ILE B 694 17.949 3.413 -15.875 1.00 23.89 H new ATOM 0 HG23 ILE B 694 16.505 4.018 -16.116 1.00 23.89 H new ATOM 0 HD11 ILE B 694 15.413 6.362 -13.118 1.00 28.41 H new ATOM 0 HD12 ILE B 694 16.940 5.962 -12.991 1.00 28.41 H new ATOM 0 HD13 ILE B 694 16.286 6.150 -14.421 1.00 28.41 H new ATOM 627 N PHE B 695 16.983 0.782 -16.189 1.00 30.26 N ANISOU 627 N PHE B 695 3004 4673 3821 -792 744 -387 N ATOM 628 CA PHE B 695 17.881 -0.062 -16.969 1.00 29.22 C ANISOU 628 CA PHE B 695 2730 4643 3729 -830 908 -559 C ATOM 629 C PHE B 695 18.505 0.759 -18.067 1.00 31.25 C ANISOU 629 C PHE B 695 2912 5179 3781 -983 874 -522 C ATOM 630 O PHE B 695 17.794 1.519 -18.721 1.00 30.77 O ANISOU 630 O PHE B 695 2877 5278 3536 -1093 791 -451 O ATOM 631 CB PHE B 695 17.142 -1.244 -17.616 1.00 31.40 C ANISOU 631 CB PHE B 695 2944 4923 4063 -861 1078 -823 C ATOM 632 CG PHE B 695 16.536 -2.204 -16.636 1.00 38.16 C ANISOU 632 CG PHE B 695 3843 5491 5165 -719 1149 -855 C ATOM 633 CD1 PHE B 695 17.257 -3.301 -16.187 1.00 38.44 C ANISOU 633 CD1 PHE B 695 3786 5346 5475 -601 1302 -920 C ATOM 634 CD2 PHE B 695 15.244 -2.019 -16.176 1.00 36.26 C ANISOU 634 CD2 PHE B 695 3716 5163 4898 -698 1070 -799 C ATOM 635 CE1 PHE B 695 16.700 -4.189 -15.293 1.00 38.16 C ANISOU 635 CE1 PHE B 695 3767 5047 5687 -468 1377 -898 C ATOM 636 CE2 PHE B 695 14.684 -2.906 -15.281 1.00 38.77 C ANISOU 636 CE2 PHE B 695 4058 5232 5440 -573 1144 -804 C ATOM 637 CZ PHE B 695 15.418 -3.995 -14.842 1.00 30.26 C ANISOU 637 CZ PHE B 695 2882 3975 4640 -460 1299 -840 C ATOM 0 H PHE B 695 16.271 1.021 -16.609 1.00 30.26 H new ATOM 0 HA PHE B 695 18.553 -0.411 -16.363 1.00 29.22 H new ATOM 0 HB2 PHE B 695 16.441 -0.898 -18.190 1.00 31.40 H new ATOM 0 HB3 PHE B 695 17.762 -1.727 -18.185 1.00 31.40 H new ATOM 0 HD1 PHE B 695 18.125 -3.438 -16.492 1.00 38.44 H new ATOM 0 HD2 PHE B 695 14.749 -1.290 -16.473 1.00 36.26 H new ATOM 0 HE1 PHE B 695 17.192 -4.920 -14.995 1.00 38.16 H new ATOM 0 HE2 PHE B 695 13.816 -2.773 -14.973 1.00 38.77 H new ATOM 0 HZ PHE B 695 15.042 -4.596 -14.240 1.00 30.26 H new ATOM 638 N ASP B 696 19.803 0.583 -18.303 1.00 27.26 N ANISOU 638 N ASP B 696 2298 4751 3311 -991 944 -553 N ATOM 639 CA ASP B 696 20.447 1.256 -19.425 1.00 29.99 C ANISOU 639 CA ASP B 696 2543 5394 3457 -1146 936 -520 C ATOM 640 C ASP B 696 20.279 0.386 -20.682 1.00 39.05 C ANISOU 640 C ASP B 696 3612 6715 4511 -1205 1057 -776 C ATOM 641 O ASP B 696 19.641 -0.671 -20.622 1.00 31.58 O ANISOU 641 O ASP B 696 2672 5645 3681 -1152 1156 -985 O ATOM 642 CB ASP B 696 21.922 1.572 -19.121 1.00 31.03 C ANISOU 642 CB ASP B 696 2607 5530 3654 -1121 925 -425 C ATOM 643 CG ASP B 696 22.839 0.334 -19.127 1.00 37.68 C ANISOU 643 CG ASP B 696 3320 6335 4662 -1043 1108 -627 C ATOM 644 OD1 ASP B 696 22.431 -0.774 -19.547 1.00 40.06 O ANISOU 644 OD1 ASP B 696 3606 6576 5037 -1002 1228 -849 O ATOM 645 OD2 ASP B 696 24.009 0.484 -18.721 1.00 37.58 O1+ ANISOU 645 OD2 ASP B 696 3247 6305 4727 -995 1098 -546 O1+ ATOM 0 H ASP B 696 20.322 0.085 -17.832 1.00 27.26 H new ATOM 0 HA ASP B 696 20.022 2.114 -19.581 1.00 29.99 H new ATOM 0 HB2 ASP B 696 22.249 2.209 -19.776 1.00 31.03 H new ATOM 0 HB3 ASP B 696 21.979 2.002 -18.253 1.00 31.03 H new ATOM 646 N MET B 697 20.855 0.817 -21.803 1.00 40.49 N ANISOU 646 N MET B 697 3729 7156 4498 -1305 1030 -761 N ATOM 647 CA MET B 697 20.678 0.126 -23.083 1.00 45.54 C ANISOU 647 CA MET B 697 4296 8007 5000 -1377 1097 -1007 C ATOM 648 C MET B 697 21.307 -1.271 -23.151 1.00 46.08 C ANISOU 648 C MET B 697 4288 7952 5268 -1309 1263 -1306 C ATOM 649 O MET B 697 20.957 -2.076 -24.023 1.00 45.13 O ANISOU 649 O MET B 697 4109 7935 5105 -1367 1331 -1579 O ATOM 650 CB MET B 697 21.266 0.958 -24.220 1.00 61.21 C ANISOU 650 CB MET B 697 6207 10325 6724 -1496 1025 -891 C ATOM 651 CG MET B 697 20.547 2.250 -24.540 1.00 69.97 C ANISOU 651 CG MET B 697 7356 11596 7632 -1577 866 -602 C ATOM 652 SD MET B 697 21.431 3.099 -25.869 1.00100.85 S ANISOU 652 SD MET B 697 11147 15884 11287 -1697 802 -445 S ATOM 653 CE MET B 697 23.131 2.687 -25.430 1.00 39.45 C ANISOU 653 CE MET B 697 3321 7975 3692 -1637 909 -526 C ATOM 0 H MET B 697 21.357 1.514 -21.845 1.00 40.49 H new ATOM 0 HA MET B 697 19.718 0.015 -23.171 1.00 45.54 H new ATOM 0 HB2 MET B 697 22.187 1.168 -24.000 1.00 61.21 H new ATOM 0 HB3 MET B 697 21.283 0.411 -25.021 1.00 61.21 H new ATOM 0 HG2 MET B 697 19.633 2.068 -24.808 1.00 69.97 H new ATOM 0 HG3 MET B 697 20.504 2.814 -23.752 1.00 69.97 H new ATOM 0 HE1 MET B 697 23.738 3.296 -25.879 1.00 39.45 H new ATOM 0 HE2 MET B 697 23.246 2.766 -24.470 1.00 39.45 H new ATOM 0 HE3 MET B 697 23.325 1.777 -25.705 1.00 39.45 H new ATOM 654 N ASN B 698 22.267 -1.540 -22.275 1.00 34.43 N ANISOU 654 N ASN B 698 2793 6270 4020 -1194 1322 -1253 N ATOM 655 CA ASN B 698 22.841 -2.874 -22.162 1.00 35.11 C ANISOU 655 CA ASN B 698 2805 6172 4364 -1098 1479 -1482 C ATOM 656 C ASN B 698 22.020 -3.780 -21.237 1.00 35.27 C ANISOU 656 C ASN B 698 2879 5864 4658 -979 1549 -1550 C ATOM 657 O ASN B 698 22.423 -4.905 -20.937 1.00 40.44 O ANISOU 657 O ASN B 698 3478 6293 5594 -875 1676 -1680 O ATOM 658 CB ASN B 698 24.279 -2.781 -21.661 1.00 35.25 C ANISOU 658 CB ASN B 698 2751 6136 4506 -1015 1508 -1364 C ATOM 659 CG ASN B 698 25.219 -2.270 -22.729 1.00 54.28 C ANISOU 659 CG ASN B 698 5079 8843 6704 -1126 1488 -1372 C ATOM 660 OD1 ASN B 698 24.864 -1.381 -23.505 1.00 50.07 O ANISOU 660 OD1 ASN B 698 4567 8568 5891 -1259 1386 -1289 O ATOM 661 ND2 ASN B 698 26.410 -2.853 -22.801 1.00 51.00 N ANISOU 661 ND2 ASN B 698 4557 8396 6427 -1067 1585 -1457 N ATOM 0 H ASN B 698 22.601 -0.961 -21.734 1.00 34.43 H new ATOM 0 HA ASN B 698 22.828 -3.273 -23.046 1.00 35.11 H new ATOM 0 HB2 ASN B 698 24.315 -2.192 -20.891 1.00 35.25 H new ATOM 0 HB3 ASN B 698 24.574 -3.656 -21.363 1.00 35.25 H new ATOM 0 HD21 ASN B 698 26.970 -2.613 -23.408 1.00 51.00 H new ATOM 0 HD22 ASN B 698 26.621 -3.470 -22.241 1.00 51.00 H new ATOM 662 N GLY B 699 20.874 -3.284 -20.787 1.00 32.55 N ANISOU 662 N GLY B 699 2638 5485 4244 -993 1466 -1442 N ATOM 663 CA GLY B 699 20.015 -4.064 -19.917 1.00 36.77 C ANISOU 663 CA GLY B 699 3227 5724 5021 -887 1524 -1480 C ATOM 664 C GLY B 699 20.524 -4.085 -18.477 1.00 39.50 C ANISOU 664 C GLY B 699 3580 5831 5598 -720 1532 -1265 C ATOM 665 O GLY B 699 20.000 -4.826 -17.657 1.00 35.55 O ANISOU 665 O GLY B 699 3107 5066 5335 -602 1589 -1252 O ATOM 0 H GLY B 699 20.578 -2.499 -20.975 1.00 32.55 H new ATOM 0 HA2 GLY B 699 19.118 -3.697 -19.936 1.00 36.77 H new ATOM 0 HA3 GLY B 699 19.957 -4.973 -20.252 1.00 36.77 H new ATOM 666 N ARG B 700 21.547 -3.280 -18.180 1.00 33.92 N ANISOU 666 N ARG B 700 2835 5231 4820 -715 1467 -1087 N ATOM 667 CA ARG B 700 22.101 -3.181 -16.825 1.00 37.25 C ANISOU 667 CA ARG B 700 3250 5489 5416 -565 1436 -871 C ATOM 668 C ARG B 700 21.195 -2.391 -15.888 1.00 35.56 C ANISOU 668 C ARG B 700 3213 5189 5109 -526 1245 -655 C ATOM 669 O ARG B 700 20.714 -1.311 -16.245 1.00 34.98 O ANISOU 669 O ARG B 700 3232 5256 4805 -642 1105 -588 O ATOM 670 CB ARG B 700 23.483 -2.525 -16.854 1.00 35.78 C ANISOU 670 CB ARG B 700 2991 5453 5151 -581 1377 -755 C ATOM 671 CG ARG B 700 24.424 -3.038 -17.944 1.00 45.61 C ANISOU 671 CG ARG B 700 4112 6825 6393 -630 1493 -934 C ATOM 672 CD ARG B 700 24.667 -4.525 -17.789 1.00 53.42 C ANISOU 672 CD ARG B 700 5037 7576 7685 -485 1647 -1067 C ATOM 673 NE ARG B 700 25.024 -4.878 -16.418 1.00 58.79 N ANISOU 673 NE ARG B 700 5680 8049 8607 -294 1655 -866 N ATOM 674 CZ ARG B 700 26.271 -4.963 -15.968 1.00 61.59 C ANISOU 674 CZ ARG B 700 5921 8417 9063 -195 1666 -747 C ATOM 675 NH1 ARG B 700 27.292 -4.731 -16.792 1.00 50.92 N1+ ANISOU 675 NH1 ARG B 700 4488 7253 7608 -273 1683 -826 N1+ ATOM 676 NH2 ARG B 700 26.497 -5.289 -14.696 1.00 61.23 N ANISOU 676 NH2 ARG B 700 5838 8220 9208 -14 1652 -530 N ATOM 0 H ARG B 700 21.939 -2.777 -18.757 1.00 33.92 H new ATOM 0 HA ARG B 700 22.172 -4.088 -16.487 1.00 37.25 H new ATOM 0 HB2 ARG B 700 23.369 -1.569 -16.969 1.00 35.78 H new ATOM 0 HB3 ARG B 700 23.907 -2.658 -15.992 1.00 35.78 H new ATOM 0 HG2 ARG B 700 24.043 -2.858 -18.817 1.00 45.61 H new ATOM 0 HG3 ARG B 700 25.268 -2.562 -17.899 1.00 45.61 H new ATOM 0 HD2 ARG B 700 23.870 -5.012 -18.051 1.00 53.42 H new ATOM 0 HD3 ARG B 700 25.378 -4.801 -18.389 1.00 53.42 H new ATOM 0 HE ARG B 700 24.385 -5.042 -15.866 1.00 58.79 H new ATOM 0 HH11 ARG B 700 27.143 -4.527 -17.614 1.00 50.92 H new ATOM 0 HH12 ARG B 700 28.100 -4.786 -16.502 1.00 50.92 H new ATOM 0 HH21 ARG B 700 25.836 -5.444 -14.168 1.00 61.23 H new ATOM 0 HH22 ARG B 700 27.304 -5.344 -14.403 1.00 61.23 H new ATOM 677 N ARG B 701 20.960 -2.927 -14.691 1.00 39.20 N ANISOU 677 N ARG B 701 3705 5430 5762 -358 1247 -537 N ATOM 678 CA ARG B 701 20.297 -2.174 -13.624 1.00 38.90 C ANISOU 678 CA ARG B 701 3805 5337 5637 -303 1068 -335 C ATOM 679 C ARG B 701 21.206 -1.049 -13.131 1.00 35.37 C ANISOU 679 C ARG B 701 3364 5012 5061 -312 905 -170 C ATOM 680 O ARG B 701 22.171 -1.313 -12.420 1.00 43.67 O ANISOU 680 O ARG B 701 4324 6055 6213 -202 914 -71 O ATOM 681 CB ARG B 701 19.938 -3.085 -12.434 1.00 47.59 C ANISOU 681 CB ARG B 701 4896 6228 6959 -119 1122 -227 C ATOM 682 CG ARG B 701 18.810 -4.079 -12.653 1.00 51.77 C ANISOU 682 CG ARG B 701 5437 6586 7646 -107 1261 -357 C ATOM 683 CD ARG B 701 18.430 -4.797 -11.350 1.00 48.30 C ANISOU 683 CD ARG B 701 4987 5955 7410 75 1292 -170 C ATOM 684 NE ARG B 701 19.523 -5.632 -10.856 1.00 53.37 N ANISOU 684 NE ARG B 701 5468 6513 8299 225 1406 -55 N ATOM 0 H ARG B 701 21.178 -3.730 -14.475 1.00 39.20 H new ATOM 0 HA ARG B 701 19.479 -1.804 -13.992 1.00 38.90 H new ATOM 0 HB2 ARG B 701 20.733 -3.580 -12.181 1.00 47.59 H new ATOM 0 HB3 ARG B 701 19.703 -2.521 -11.681 1.00 47.59 H new ATOM 0 HG2 ARG B 701 18.034 -3.617 -13.007 1.00 51.77 H new ATOM 0 HG3 ARG B 701 19.078 -4.733 -13.318 1.00 51.77 H new ATOM 0 HD2 ARG B 701 18.193 -4.141 -10.676 1.00 48.30 H new ATOM 0 HD3 ARG B 701 17.645 -5.346 -11.500 1.00 48.30 H new ATOM 685 N VAL B 702 20.917 0.201 -13.475 1.00 32.19 N ANISOU 685 N VAL B 702 3048 4720 4462 -440 760 -131 N ATOM 686 CA VAL B 702 21.838 1.269 -13.086 1.00 30.71 C ANISOU 686 CA VAL B 702 2841 4627 4200 -471 627 -11 C ATOM 687 C VAL B 702 21.405 1.923 -11.767 1.00 32.52 C ANISOU 687 C VAL B 702 3150 4790 4415 -396 474 107 C ATOM 688 O VAL B 702 22.217 2.546 -11.082 1.00 31.44 O ANISOU 688 O VAL B 702 2966 4716 4264 -382 379 179 O ATOM 689 CB VAL B 702 21.990 2.346 -14.184 1.00 30.02 C ANISOU 689 CB VAL B 702 2760 4689 3959 -657 567 -7 C ATOM 690 CG1 VAL B 702 22.740 1.775 -15.402 1.00 39.73 C ANISOU 690 CG1 VAL B 702 3864 6068 5165 -736 714 -125 C ATOM 691 CG2 VAL B 702 20.652 2.933 -14.599 1.00 26.88 C ANISOU 691 CG2 VAL B 702 2477 4276 3458 -738 498 5 C ATOM 0 H VAL B 702 20.222 0.449 -13.916 1.00 32.19 H new ATOM 0 HA VAL B 702 22.704 0.850 -12.962 1.00 30.71 H new ATOM 0 HB VAL B 702 22.514 3.071 -13.808 1.00 30.02 H new ATOM 0 HG11 VAL B 702 22.827 2.463 -16.081 1.00 39.73 H new ATOM 0 HG12 VAL B 702 23.622 1.478 -15.129 1.00 39.73 H new ATOM 0 HG13 VAL B 702 22.244 1.024 -15.765 1.00 39.73 H new ATOM 0 HG21 VAL B 702 20.791 3.602 -15.287 1.00 26.88 H new ATOM 0 HG22 VAL B 702 20.082 2.228 -14.945 1.00 26.88 H new ATOM 0 HG23 VAL B 702 20.226 3.344 -13.830 1.00 26.88 H new ATOM 692 N ALA B 703 20.141 1.752 -11.403 1.00 31.60 N ANISOU 692 N ALA B 703 3137 4571 4300 -354 457 102 N ATOM 693 CA ALA B 703 19.644 2.260 -10.123 1.00 29.05 C ANISOU 693 CA ALA B 703 2872 4210 3956 -276 331 182 C ATOM 694 C ALA B 703 18.349 1.576 -9.752 1.00 35.58 C ANISOU 694 C ALA B 703 3775 4922 4821 -197 374 174 C ATOM 695 O ALA B 703 17.601 1.149 -10.630 1.00 34.40 O ANISOU 695 O ALA B 703 3667 4720 4682 -252 456 88 O ATOM 696 CB ALA B 703 19.440 3.770 -10.186 1.00 28.52 C ANISOU 696 CB ALA B 703 2868 4170 3798 -392 177 193 C ATOM 0 H ALA B 703 19.552 1.345 -11.880 1.00 31.60 H new ATOM 0 HA ALA B 703 20.307 2.066 -9.442 1.00 29.05 H new ATOM 0 HB1 ALA B 703 19.111 4.088 -9.331 1.00 28.52 H new ATOM 0 HB2 ALA B 703 20.284 4.203 -10.389 1.00 28.52 H new ATOM 0 HB3 ALA B 703 18.795 3.981 -10.879 1.00 28.52 H new ATOM 697 N THR B 704 18.096 1.467 -8.447 1.00 27.29 N ANISOU 697 N THR B 704 2722 3866 3780 -74 323 258 N ATOM 698 CA THR B 704 16.810 1.011 -7.926 1.00 25.15 C ANISOU 698 CA THR B 704 2521 3504 3530 -4 341 275 C ATOM 699 C THR B 704 16.498 1.801 -6.672 1.00 31.02 C ANISOU 699 C THR B 704 3285 4327 4175 46 199 327 C ATOM 700 O THR B 704 17.406 2.264 -5.974 1.00 26.26 O ANISOU 700 O THR B 704 2600 3856 3522 70 122 364 O ATOM 701 CB THR B 704 16.775 -0.512 -7.583 1.00 38.64 C ANISOU 701 CB THR B 704 4152 5121 5408 132 503 344 C ATOM 702 OG1 THR B 704 17.476 -0.763 -6.359 1.00 39.39 O ANISOU 702 OG1 THR B 704 4137 5313 5517 271 478 508 O ATOM 703 CG2 THR B 704 17.365 -1.366 -8.707 1.00 44.59 C ANISOU 703 CG2 THR B 704 4835 5804 6303 95 666 250 C ATOM 0 H THR B 704 18.671 1.657 -7.836 1.00 27.29 H new ATOM 0 HA THR B 704 16.151 1.154 -8.624 1.00 25.15 H new ATOM 0 HB THR B 704 15.844 -0.763 -7.479 1.00 38.64 H new ATOM 0 HG1 THR B 704 17.449 -1.584 -6.184 1.00 39.39 H new ATOM 0 HG21 THR B 704 17.325 -2.302 -8.457 1.00 44.59 H new ATOM 0 HG22 THR B 704 16.856 -1.227 -9.521 1.00 44.59 H new ATOM 0 HG23 THR B 704 18.289 -1.111 -8.857 1.00 44.59 H new ATOM 704 N ALA B 705 15.215 1.965 -6.394 1.00 29.33 N ANISOU 704 N ALA B 705 3161 4054 3927 54 166 306 N ATOM 705 CA ALA B 705 14.789 2.631 -5.180 1.00 32.71 C ANISOU 705 CA ALA B 705 3595 4572 4264 104 50 320 C ATOM 706 C ALA B 705 13.323 2.338 -4.931 1.00 31.93 C ANISOU 706 C ALA B 705 3577 4394 4163 142 70 317 C ATOM 707 O ALA B 705 12.570 2.048 -5.848 1.00 25.40 O ANISOU 707 O ALA B 705 2825 3442 3385 86 132 270 O ATOM 708 CB ALA B 705 15.030 4.132 -5.276 1.00 33.06 C ANISOU 708 CB ALA B 705 3662 4649 4249 -8 -89 221 C ATOM 0 H ALA B 705 14.573 1.696 -6.899 1.00 29.33 H new ATOM 0 HA ALA B 705 15.310 2.295 -4.434 1.00 32.71 H new ATOM 0 HB1 ALA B 705 14.739 4.560 -4.455 1.00 33.06 H new ATOM 0 HB2 ALA B 705 15.976 4.300 -5.410 1.00 33.06 H new ATOM 0 HB3 ALA B 705 14.529 4.493 -6.024 1.00 33.06 H new ATOM 709 N LYS B 706 12.915 2.387 -3.677 1.00 30.87 N ANISOU 709 N LYS B 706 3407 4366 3955 233 22 362 N ATOM 710 CA LYS B 706 11.498 2.340 -3.385 1.00 29.98 C ANISOU 710 CA LYS B 706 3369 4200 3823 256 22 344 C ATOM 711 C LYS B 706 10.960 3.760 -3.460 1.00 23.31 C ANISOU 711 C LYS B 706 2594 3343 2919 168 -108 201 C ATOM 712 O LYS B 706 11.673 4.706 -3.133 1.00 30.04 O ANISOU 712 O LYS B 706 3401 4279 3732 129 -204 130 O ATOM 713 CB LYS B 706 11.253 1.717 -2.009 1.00 32.93 C ANISOU 713 CB LYS B 706 3652 4723 4138 395 41 473 C ATOM 714 CG LYS B 706 11.855 0.325 -1.875 1.00 33.14 C ANISOU 714 CG LYS B 706 3576 4737 4279 498 179 667 C ATOM 0 H LYS B 706 13.431 2.446 -2.992 1.00 30.87 H new ATOM 0 HA LYS B 706 11.035 1.783 -4.030 1.00 29.98 H new ATOM 0 HB2 LYS B 706 11.629 2.294 -1.326 1.00 32.93 H new ATOM 0 HB3 LYS B 706 10.298 1.669 -1.846 1.00 32.93 H new ATOM 715 N ASN B 707 9.730 3.898 -3.950 1.00 21.94 N ANISOU 715 N ASN B 707 2516 3052 2769 133 -103 156 N ATOM 716 CA ASN B 707 8.933 5.134 -3.850 1.00 32.05 C ANISOU 716 CA ASN B 707 3847 4298 4033 86 -210 48 C ATOM 717 C ASN B 707 9.358 6.321 -4.723 1.00 30.33 C ANISOU 717 C ASN B 707 3651 3996 3877 -34 -285 -9 C ATOM 718 O ASN B 707 8.518 6.948 -5.360 1.00 27.62 O ANISOU 718 O ASN B 707 3365 3547 3581 -88 -318 -27 O ATOM 719 CB ASN B 707 8.878 5.592 -2.392 1.00 29.38 C ANISOU 719 CB ASN B 707 3438 4118 3609 156 -281 -14 C ATOM 720 CG ASN B 707 8.381 4.505 -1.472 1.00 34.85 C ANISOU 720 CG ASN B 707 4087 4929 4228 276 -210 89 C ATOM 721 OD1 ASN B 707 7.478 3.750 -1.825 1.00 33.31 O ANISOU 721 OD1 ASN B 707 3947 4633 4075 297 -130 152 O ATOM 722 ND2 ASN B 707 8.986 4.402 -0.295 1.00 33.84 N ANISOU 722 ND2 ASN B 707 3838 5033 3988 349 -235 119 N ATOM 0 H ASN B 707 9.321 3.263 -4.361 1.00 21.94 H new ATOM 0 HA ASN B 707 8.067 4.874 -4.200 1.00 32.05 H new ATOM 0 HB2 ASN B 707 9.762 5.873 -2.109 1.00 29.38 H new ATOM 0 HB3 ASN B 707 8.297 6.366 -2.319 1.00 29.38 H new ATOM 0 HD21 ASN B 707 8.750 3.787 0.258 1.00 33.84 H new ATOM 0 HD22 ASN B 707 9.614 4.950 -0.085 1.00 33.84 H new ATOM 723 N ARG B 708 10.638 6.658 -4.745 1.00 35.48 N ANISOU 723 N ARG B 708 4241 4700 4540 -73 -312 -14 N ATOM 724 CA ARG B 708 11.058 7.790 -5.571 1.00 37.54 C ANISOU 724 CA ARG B 708 4506 4870 4887 -192 -372 -35 C ATOM 725 C ARG B 708 12.536 7.698 -5.882 1.00 37.04 C ANISOU 725 C ARG B 708 4374 4872 4827 -239 -356 -4 C ATOM 726 O ARG B 708 13.291 7.049 -5.154 1.00 32.99 O ANISOU 726 O ARG B 708 3791 4489 4255 -170 -331 4 O ATOM 727 CB ARG B 708 10.744 9.129 -4.884 1.00 31.40 C ANISOU 727 CB ARG B 708 3701 4041 4187 -214 -475 -159 C ATOM 728 CG ARG B 708 11.439 9.345 -3.543 1.00 35.34 C ANISOU 728 CG ARG B 708 4097 4698 4634 -172 -520 -285 C ATOM 0 H ARG B 708 11.264 6.263 -4.307 1.00 35.48 H new ATOM 0 HA ARG B 708 10.558 7.753 -6.401 1.00 37.54 H new ATOM 0 HB2 ARG B 708 10.994 9.850 -5.482 1.00 31.40 H new ATOM 0 HB3 ARG B 708 9.785 9.191 -4.750 1.00 31.40 H new ATOM 729 N MET B 709 12.941 8.359 -6.962 1.00 26.24 N ANISOU 729 N MET B 709 3008 3434 3528 -354 -370 37 N ATOM 730 CA MET B 709 14.311 8.295 -7.428 1.00 28.47 C ANISOU 730 CA MET B 709 3222 3781 3815 -414 -346 74 C ATOM 731 C MET B 709 14.671 9.543 -8.210 1.00 31.47 C ANISOU 731 C MET B 709 3578 4077 4303 -547 -400 111 C ATOM 732 O MET B 709 13.881 10.010 -9.024 1.00 33.87 O ANISOU 732 O MET B 709 3926 4293 4650 -601 -410 186 O ATOM 733 CB MET B 709 14.492 7.052 -8.308 1.00 28.27 C ANISOU 733 CB MET B 709 3207 3803 3729 -404 -227 140 C ATOM 734 CG MET B 709 15.857 6.909 -8.941 1.00 35.66 C ANISOU 734 CG MET B 709 4066 4816 4667 -466 -184 172 C ATOM 735 SD MET B 709 16.068 5.248 -9.643 1.00 51.06 S ANISOU 735 SD MET B 709 5996 6819 6587 -420 -18 178 S ATOM 736 CE MET B 709 14.373 4.852 -10.008 1.00 33.45 C ANISOU 736 CE MET B 709 3867 4512 4333 -408 15 153 C ATOM 0 H MET B 709 12.427 8.855 -7.441 1.00 26.24 H new ATOM 0 HA MET B 709 14.901 8.238 -6.660 1.00 28.47 H new ATOM 0 HB2 MET B 709 14.316 6.264 -7.771 1.00 28.27 H new ATOM 0 HB3 MET B 709 13.825 7.071 -9.012 1.00 28.27 H new ATOM 0 HG2 MET B 709 15.967 7.576 -9.637 1.00 35.66 H new ATOM 0 HG3 MET B 709 16.545 7.075 -8.278 1.00 35.66 H new ATOM 0 HE1 MET B 709 14.332 4.001 -10.472 1.00 33.45 H new ATOM 0 HE2 MET B 709 13.869 4.794 -9.181 1.00 33.45 H new ATOM 0 HE3 MET B 709 13.992 5.545 -10.570 1.00 33.45 H new ATOM 737 N VAL B 710 15.857 10.083 -7.957 1.00 29.99 N ANISOU 737 N VAL B 710 3301 3924 4169 -602 -433 77 N ATOM 738 CA VAL B 710 16.425 11.124 -8.811 1.00 33.61 C ANISOU 738 CA VAL B 710 3712 4307 4752 -740 -459 152 C ATOM 739 C VAL B 710 17.733 10.625 -9.411 1.00 42.95 C ANISOU 739 C VAL B 710 4826 5619 5873 -789 -400 209 C ATOM 740 O VAL B 710 18.762 10.603 -8.745 1.00 46.24 O ANISOU 740 O VAL B 710 5159 6119 6290 -782 -416 135 O ATOM 741 CB VAL B 710 16.677 12.432 -8.046 1.00 37.24 C ANISOU 741 CB VAL B 710 4101 4656 5394 -794 -544 37 C ATOM 742 CG1 VAL B 710 17.351 13.453 -8.954 1.00 43.84 C ANISOU 742 CG1 VAL B 710 4866 5388 6401 -941 -553 150 C ATOM 743 CG2 VAL B 710 15.370 12.987 -7.504 1.00 41.16 C ANISOU 743 CG2 VAL B 710 4647 5012 5980 -746 -591 -40 C ATOM 0 H VAL B 710 16.354 9.860 -7.291 1.00 29.99 H new ATOM 0 HA VAL B 710 15.781 11.315 -9.510 1.00 33.61 H new ATOM 0 HB VAL B 710 17.267 12.246 -7.299 1.00 37.24 H new ATOM 0 HG11 VAL B 710 17.505 14.274 -8.460 1.00 43.84 H new ATOM 0 HG12 VAL B 710 18.199 13.100 -9.265 1.00 43.84 H new ATOM 0 HG13 VAL B 710 16.779 13.637 -9.715 1.00 43.84 H new ATOM 0 HG21 VAL B 710 15.543 13.812 -7.024 1.00 41.16 H new ATOM 0 HG22 VAL B 710 14.763 13.163 -8.240 1.00 41.16 H new ATOM 0 HG23 VAL B 710 14.969 12.341 -6.902 1.00 41.16 H new ATOM 744 N PHE B 711 17.680 10.230 -10.680 1.00 36.71 N ANISOU 744 N PHE B 711 4053 4877 5018 -842 -332 329 N ATOM 745 CA PHE B 711 18.815 9.611 -11.348 1.00 30.45 C ANISOU 745 CA PHE B 711 3189 4228 4153 -882 -255 363 C ATOM 746 C PHE B 711 19.504 10.554 -12.325 1.00 35.48 C ANISOU 746 C PHE B 711 3749 4879 4853 -1034 -265 489 C ATOM 747 O PHE B 711 18.868 11.117 -13.233 1.00 34.30 O ANISOU 747 O PHE B 711 3613 4704 4717 -1111 -272 626 O ATOM 748 CB PHE B 711 18.353 8.348 -12.085 1.00 35.01 C ANISOU 748 CB PHE B 711 3805 4896 4601 -840 -145 362 C ATOM 749 CG PHE B 711 19.450 7.645 -12.833 1.00 33.52 C ANISOU 749 CG PHE B 711 3529 4855 4352 -877 -44 360 C ATOM 750 CD1 PHE B 711 20.465 6.986 -12.144 1.00 48.62 C ANISOU 750 CD1 PHE B 711 5374 6813 6285 -798 -7 299 C ATOM 751 CD2 PHE B 711 19.470 7.634 -14.225 1.00 38.93 C ANISOU 751 CD2 PHE B 711 4175 5664 4951 -988 17 421 C ATOM 752 CE1 PHE B 711 21.489 6.335 -12.828 1.00 46.77 C ANISOU 752 CE1 PHE B 711 5044 6704 6022 -824 95 285 C ATOM 753 CE2 PHE B 711 20.490 6.980 -14.916 1.00 38.39 C ANISOU 753 CE2 PHE B 711 4009 5753 4825 -1026 121 385 C ATOM 754 CZ PHE B 711 21.501 6.334 -14.212 1.00 45.01 C ANISOU 754 CZ PHE B 711 4790 6593 5720 -940 163 310 C ATOM 0 H PHE B 711 16.983 10.314 -11.177 1.00 36.71 H new ATOM 0 HA PHE B 711 19.464 9.383 -10.664 1.00 30.45 H new ATOM 0 HB2 PHE B 711 17.966 7.733 -11.443 1.00 35.01 H new ATOM 0 HB3 PHE B 711 17.650 8.587 -12.709 1.00 35.01 H new ATOM 0 HD1 PHE B 711 20.459 6.980 -11.214 1.00 48.62 H new ATOM 0 HD2 PHE B 711 18.797 8.067 -14.699 1.00 38.93 H new ATOM 0 HE1 PHE B 711 22.163 5.902 -12.356 1.00 46.77 H new ATOM 0 HE2 PHE B 711 20.494 6.976 -15.846 1.00 38.39 H new ATOM 0 HZ PHE B 711 22.185 5.902 -14.671 1.00 45.01 H new ATOM 755 N GLU B 712 20.808 10.720 -12.139 1.00 34.21 N ANISOU 755 N GLU B 712 3490 4780 4728 -1078 -263 466 N ATOM 756 CA GLU B 712 21.620 11.485 -13.077 1.00 37.45 C ANISOU 756 CA GLU B 712 3806 5229 5195 -1227 -253 599 C ATOM 757 C GLU B 712 22.122 10.555 -14.164 1.00 49.06 C ANISOU 757 C GLU B 712 5233 6908 6498 -1253 -142 644 C ATOM 758 O GLU B 712 22.977 9.703 -13.918 1.00 48.54 O ANISOU 758 O GLU B 712 5118 6949 6377 -1198 -83 550 O ATOM 759 CB GLU B 712 22.797 12.166 -12.370 1.00 51.45 C ANISOU 759 CB GLU B 712 5474 6975 7100 -1280 -302 534 C ATOM 760 CG GLU B 712 22.403 12.974 -11.138 1.00 62.68 C ANISOU 760 CG GLU B 712 6907 8229 8679 -1254 -400 400 C ATOM 761 CD GLU B 712 21.446 14.120 -11.452 1.00 71.53 C ANISOU 761 CD GLU B 712 8060 9129 9989 -1320 -445 493 C ATOM 762 OE1 GLU B 712 21.381 14.552 -12.626 1.00 69.52 O ANISOU 762 OE1 GLU B 712 7781 8861 9774 -1416 -415 710 O ATOM 763 OE2 GLU B 712 20.757 14.592 -10.519 1.00 75.14 O1+ ANISOU 763 OE2 GLU B 712 8547 9443 10558 -1272 -507 359 O1+ ATOM 0 H GLU B 712 21.244 10.396 -11.472 1.00 34.21 H new ATOM 0 HA GLU B 712 21.074 12.185 -13.468 1.00 37.45 H new ATOM 0 HB2 GLU B 712 23.440 11.488 -12.108 1.00 51.45 H new ATOM 0 HB3 GLU B 712 23.244 12.753 -13.000 1.00 51.45 H new ATOM 0 HG2 GLU B 712 21.989 12.383 -10.490 1.00 62.68 H new ATOM 0 HG3 GLU B 712 23.204 13.333 -10.724 1.00 62.68 H new ATOM 764 N ALA B 713 21.588 10.723 -15.370 1.00 43.77 N ANISOU 764 N ALA B 713 4560 6320 5750 -1335 -109 784 N ATOM 765 CA ALA B 713 21.890 9.817 -16.465 1.00 39.16 C ANISOU 765 CA ALA B 713 3921 5978 4981 -1370 6 779 C ATOM 766 C ALA B 713 22.937 10.385 -17.404 1.00 49.26 C ANISOU 766 C ALA B 713 5062 7418 6237 -1516 38 922 C ATOM 767 O ALA B 713 23.289 11.557 -17.323 1.00 54.58 O ANISOU 767 O ALA B 713 5688 7991 7059 -1602 -31 1067 O ATOM 768 CB ALA B 713 20.631 9.502 -17.230 1.00 36.24 C ANISOU 768 CB ALA B 713 3601 5688 4479 -1376 32 813 C ATOM 0 H ALA B 713 21.046 11.359 -15.573 1.00 43.77 H new ATOM 0 HA ALA B 713 22.254 9.004 -16.080 1.00 39.16 H new ATOM 0 HB1 ALA B 713 20.838 8.897 -17.959 1.00 36.24 H new ATOM 0 HB2 ALA B 713 19.988 9.084 -16.637 1.00 36.24 H new ATOM 0 HB3 ALA B 713 20.255 10.322 -17.587 1.00 36.24 H new ATOM 769 N GLN B 714 23.428 9.541 -18.302 1.00 51.73 N ANISOU 769 N GLN B 714 5295 7982 6380 -1550 153 869 N ATOM 770 CA GLN B 714 24.225 10.011 -19.422 1.00 56.07 C ANISOU 770 CA GLN B 714 5757 8701 6845 -1633 184 986 C ATOM 771 C GLN B 714 23.357 9.937 -20.671 1.00 56.39 C ANISOU 771 C GLN B 714 5803 8938 6686 -1663 205 1061 C ATOM 772 O GLN B 714 22.267 9.360 -20.635 1.00 51.60 O ANISOU 772 O GLN B 714 5256 8343 6007 -1624 217 979 O ATOM 773 CB GLN B 714 25.490 9.176 -19.583 1.00 61.33 C ANISOU 773 CB GLN B 714 6333 9511 7456 -1617 286 837 C ATOM 774 CG GLN B 714 26.410 9.224 -18.379 1.00 67.35 C ANISOU 774 CG GLN B 714 7058 10142 8391 -1583 256 774 C ATOM 775 CD GLN B 714 27.289 7.992 -18.278 1.00 76.13 C ANISOU 775 CD GLN B 714 8088 11370 9467 -1510 371 592 C ATOM 776 OE1 GLN B 714 27.173 7.063 -19.083 1.00 72.03 O ANISOU 776 OE1 GLN B 714 7551 10992 8825 -1484 485 477 O ATOM 777 NE2 GLN B 714 28.174 7.975 -17.284 1.00 83.88 N ANISOU 777 NE2 GLN B 714 9009 12291 10571 -1465 343 551 N ATOM 0 H GLN B 714 23.310 8.689 -18.279 1.00 51.73 H new ATOM 0 HA GLN B 714 24.512 10.925 -19.268 1.00 56.07 H new ATOM 0 HB2 GLN B 714 25.240 8.254 -19.752 1.00 61.33 H new ATOM 0 HB3 GLN B 714 25.975 9.486 -20.363 1.00 61.33 H new ATOM 0 HG2 GLN B 714 26.969 10.015 -18.433 1.00 67.35 H new ATOM 0 HG3 GLN B 714 25.879 9.307 -17.572 1.00 67.35 H new ATOM 0 HE21 GLN B 714 28.226 8.641 -16.743 1.00 83.88 H new ATOM 0 HE22 GLN B 714 28.694 7.298 -17.183 1.00 83.88 H new ATOM 778 N ASN B 715 23.825 10.523 -21.767 1.00 52.23 N ANISOU 778 N ASN B 715 5198 8586 6060 -1733 204 1217 N ATOM 779 CA ASN B 715 23.074 10.484 -23.018 1.00 55.90 C ANISOU 779 CA ASN B 715 5629 9311 6301 -1767 206 1299 C ATOM 780 C ASN B 715 22.753 9.058 -23.434 1.00 49.48 C ANISOU 780 C ASN B 715 4810 8699 5292 -1739 308 1017 C ATOM 781 O ASN B 715 23.600 8.168 -23.369 1.00 48.68 O ANISOU 781 O ASN B 715 4671 8647 5180 -1716 407 802 O ATOM 782 CB ASN B 715 23.842 11.195 -24.137 1.00 59.39 C ANISOU 782 CB ASN B 715 5953 9965 6648 -1846 196 1496 C ATOM 783 CG ASN B 715 23.802 12.702 -24.000 1.00 66.51 C ANISOU 783 CG ASN B 715 6843 10673 7754 -1875 97 1812 C ATOM 784 OD1 ASN B 715 23.301 13.235 -23.007 1.00 66.85 O ANISOU 784 OD1 ASN B 715 6968 10404 8029 -1838 37 1849 O ATOM 785 ND2 ASN B 715 24.342 13.398 -24.993 1.00 73.89 N ANISOU 785 ND2 ASN B 715 7662 11785 8626 -1941 83 2030 N ATOM 0 H ASN B 715 24.572 10.947 -21.809 1.00 52.23 H new ATOM 0 HA ASN B 715 22.237 10.950 -22.865 1.00 55.90 H new ATOM 0 HB2 ASN B 715 24.765 10.897 -24.132 1.00 59.39 H new ATOM 0 HB3 ASN B 715 23.467 10.941 -24.995 1.00 59.39 H new ATOM 0 HD21 ASN B 715 24.352 14.257 -24.960 1.00 73.89 H new ATOM 0 HD22 ASN B 715 24.682 12.990 -25.669 1.00 73.89 H new ATOM 786 N GLY B 716 21.515 8.838 -23.844 1.00 45.86 N ANISOU 786 N GLY B 716 4376 8340 4707 -1735 287 1006 N ATOM 787 CA GLY B 716 21.114 7.520 -24.281 1.00 51.37 C ANISOU 787 CA GLY B 716 5059 9213 5248 -1720 385 709 C ATOM 788 C GLY B 716 19.698 7.199 -23.874 1.00 47.10 C ANISOU 788 C GLY B 716 4601 8582 4713 -1680 365 646 C ATOM 789 O GLY B 716 19.001 8.030 -23.298 1.00 43.20 O ANISOU 789 O GLY B 716 4175 7910 4329 -1663 268 849 O ATOM 0 H GLY B 716 20.897 9.436 -23.876 1.00 45.86 H new ATOM 0 HA2 GLY B 716 21.194 7.461 -25.246 1.00 51.37 H new ATOM 0 HA3 GLY B 716 21.716 6.858 -23.906 1.00 51.37 H new ATOM 790 N VAL B 717 19.283 5.978 -24.183 1.00 40.84 N ANISOU 790 N VAL B 717 3794 7899 3826 -1667 461 348 N ATOM 791 CA VAL B 717 17.926 5.547 -23.964 1.00 36.54 C ANISOU 791 CA VAL B 717 3308 7313 3263 -1641 457 252 C ATOM 792 C VAL B 717 17.885 4.693 -22.690 1.00 43.58 C ANISOU 792 C VAL B 717 4284 7897 4377 -1545 542 59 C ATOM 793 O VAL B 717 18.756 3.845 -22.469 1.00 45.69 O ANISOU 793 O VAL B 717 4519 8100 4741 -1503 653 -138 O ATOM 794 CB VAL B 717 17.393 4.755 -25.184 1.00 41.38 C ANISOU 794 CB VAL B 717 3828 8251 3645 -1702 500 28 C ATOM 795 CG1 VAL B 717 15.924 4.423 -25.016 1.00 43.52 C ANISOU 795 CG1 VAL B 717 4146 8497 3891 -1688 481 -53 C ATOM 796 CG2 VAL B 717 17.612 5.550 -26.473 1.00 50.52 C ANISOU 796 CG2 VAL B 717 4858 9770 4569 -1798 412 228 C ATOM 0 H VAL B 717 19.791 5.376 -24.528 1.00 40.84 H new ATOM 0 HA VAL B 717 17.351 6.321 -23.854 1.00 36.54 H new ATOM 0 HB VAL B 717 17.888 3.923 -25.241 1.00 41.38 H new ATOM 0 HG11 VAL B 717 15.613 3.928 -25.790 1.00 43.52 H new ATOM 0 HG12 VAL B 717 15.803 3.884 -24.219 1.00 43.52 H new ATOM 0 HG13 VAL B 717 15.414 5.244 -24.931 1.00 43.52 H new ATOM 0 HG21 VAL B 717 17.274 5.043 -27.228 1.00 50.52 H new ATOM 0 HG22 VAL B 717 17.141 6.396 -26.416 1.00 50.52 H new ATOM 0 HG23 VAL B 717 18.560 5.716 -26.594 1.00 50.52 H new ATOM 797 N TYR B 718 16.892 4.942 -21.845 1.00 33.35 N ANISOU 797 N TYR B 718 3081 6415 3177 -1506 486 138 N ATOM 798 CA TYR B 718 16.741 4.198 -20.601 1.00 33.93 C ANISOU 798 CA TYR B 718 3243 6188 3461 -1391 535 -10 C ATOM 799 C TYR B 718 15.360 3.598 -20.501 1.00 39.17 C ANISOU 799 C TYR B 718 3967 6804 4113 -1356 552 -141 C ATOM 800 O TYR B 718 14.399 4.107 -21.091 1.00 38.31 O ANISOU 800 O TYR B 718 3845 6861 3852 -1425 486 -40 O ATOM 801 CB TYR B 718 17.001 5.103 -19.391 1.00 34.87 C ANISOU 801 CB TYR B 718 3479 6007 3762 -1298 400 185 C ATOM 802 CG TYR B 718 18.440 5.540 -19.268 1.00 38.98 C ANISOU 802 CG TYR B 718 3939 6528 4343 -1319 395 266 C ATOM 803 CD1 TYR B 718 18.894 6.674 -19.921 1.00 36.67 C ANISOU 803 CD1 TYR B 718 3574 6377 3982 -1437 329 492 C ATOM 804 CD2 TYR B 718 19.343 4.817 -18.500 1.00 36.25 C ANISOU 804 CD2 TYR B 718 3590 6048 4136 -1220 458 138 C ATOM 805 CE1 TYR B 718 20.203 7.078 -19.820 1.00 37.96 C ANISOU 805 CE1 TYR B 718 3670 6544 4210 -1469 329 559 C ATOM 806 CE2 TYR B 718 20.666 5.218 -18.389 1.00 34.28 C ANISOU 806 CE2 TYR B 718 3269 5823 3934 -1243 450 206 C ATOM 807 CZ TYR B 718 21.084 6.350 -19.053 1.00 35.46 C ANISOU 807 CZ TYR B 718 3355 6109 4010 -1374 386 402 C ATOM 808 OH TYR B 718 22.391 6.763 -18.958 1.00 42.37 O ANISOU 808 OH TYR B 718 4147 7009 4941 -1410 382 465 O ATOM 0 H TYR B 718 16.290 5.543 -21.975 1.00 33.35 H new ATOM 0 HA TYR B 718 17.395 3.482 -20.603 1.00 33.93 H new ATOM 0 HB2 TYR B 718 16.436 5.889 -19.456 1.00 34.87 H new ATOM 0 HB3 TYR B 718 16.742 4.633 -18.583 1.00 34.87 H new ATOM 0 HD1 TYR B 718 18.302 7.171 -20.437 1.00 36.67 H new ATOM 0 HD2 TYR B 718 19.057 4.053 -18.054 1.00 36.25 H new ATOM 0 HE1 TYR B 718 20.493 7.840 -20.268 1.00 37.96 H new ATOM 0 HE2 TYR B 718 21.264 4.728 -17.872 1.00 34.28 H new ATOM 0 HH TYR B 718 22.564 7.294 -19.586 1.00 42.37 H new ATOM 809 N ALA B 719 15.266 2.508 -19.748 1.00 37.21 N ANISOU 809 N ALA B 719 3767 6334 4038 -1245 643 -344 N ATOM 810 CA ALA B 719 13.990 1.926 -19.414 1.00 34.81 C ANISOU 810 CA ALA B 719 3531 5916 3781 -1196 660 -456 C ATOM 811 C ALA B 719 13.738 2.130 -17.931 1.00 33.85 C ANISOU 811 C ALA B 719 3556 5456 3850 -1041 573 -339 C ATOM 812 O ALA B 719 14.561 1.750 -17.090 1.00 33.90 O ANISOU 812 O ALA B 719 3576 5287 4018 -938 607 -345 O ATOM 813 CB ALA B 719 13.955 0.441 -19.778 1.00 38.80 C ANISOU 813 CB ALA B 719 3944 6437 4360 -1205 857 -787 C ATOM 0 H ALA B 719 15.943 2.091 -19.420 1.00 37.21 H new ATOM 0 HA ALA B 719 13.290 2.362 -19.924 1.00 34.81 H new ATOM 0 HB1 ALA B 719 13.089 0.071 -19.545 1.00 38.80 H new ATOM 0 HB2 ALA B 719 14.105 0.338 -20.731 1.00 38.80 H new ATOM 0 HB3 ALA B 719 14.649 -0.029 -19.289 1.00 38.80 H new ATOM 814 N VAL B 720 12.609 2.763 -17.622 1.00 25.01 N ANISOU 814 N VAL B 720 2525 4281 2699 -1024 459 -225 N ATOM 815 CA VAL B 720 12.195 2.978 -16.247 1.00 27.91 C ANISOU 815 CA VAL B 720 3015 4378 3213 -888 379 -144 C ATOM 816 C VAL B 720 11.112 1.970 -15.910 1.00 35.88 C ANISOU 816 C VAL B 720 4057 5287 4288 -832 457 -289 C ATOM 817 O VAL B 720 10.084 1.903 -16.590 1.00 36.59 O ANISOU 817 O VAL B 720 4130 5500 4273 -904 461 -347 O ATOM 818 CB VAL B 720 11.664 4.402 -16.020 1.00 27.75 C ANISOU 818 CB VAL B 720 3058 4327 3160 -897 210 66 C ATOM 819 CG1 VAL B 720 11.200 4.569 -14.574 1.00 25.71 C ANISOU 819 CG1 VAL B 720 2905 3827 3037 -762 141 93 C ATOM 820 CG2 VAL B 720 12.735 5.440 -16.396 1.00 31.91 C ANISOU 820 CG2 VAL B 720 3532 4926 3666 -969 145 223 C ATOM 0 H VAL B 720 12.064 3.079 -18.207 1.00 25.01 H new ATOM 0 HA VAL B 720 12.967 2.864 -15.671 1.00 27.91 H new ATOM 0 HB VAL B 720 10.897 4.550 -16.596 1.00 27.75 H new ATOM 0 HG11 VAL B 720 10.867 5.471 -14.443 1.00 25.71 H new ATOM 0 HG12 VAL B 720 10.492 3.933 -14.386 1.00 25.71 H new ATOM 0 HG13 VAL B 720 11.945 4.409 -13.974 1.00 25.71 H new ATOM 0 HG21 VAL B 720 12.386 6.333 -16.248 1.00 31.91 H new ATOM 0 HG22 VAL B 720 13.523 5.306 -15.847 1.00 31.91 H new ATOM 0 HG23 VAL B 720 12.972 5.337 -17.331 1.00 31.91 H new ATOM 821 N ARG B 721 11.354 1.166 -14.882 1.00 27.71 N ANISOU 821 N ARG B 721 3048 4050 3429 -707 523 -332 N ATOM 822 CA ARG B 721 10.401 0.135 -14.492 1.00 26.55 C ANISOU 822 CA ARG B 721 2917 3777 3393 -650 617 -445 C ATOM 823 C ARG B 721 9.741 0.507 -13.173 1.00 31.86 C ANISOU 823 C ARG B 721 3694 4291 4122 -529 518 -310 C ATOM 824 O ARG B 721 10.421 0.865 -12.212 1.00 30.80 O ANISOU 824 O ARG B 721 3583 4084 4036 -437 456 -192 O ATOM 825 CB ARG B 721 11.089 -1.231 -14.384 1.00 28.70 C ANISOU 825 CB ARG B 721 3103 3938 3864 -597 802 -581 C ATOM 826 CG ARG B 721 10.131 -2.368 -14.047 1.00 33.96 C ANISOU 826 CG ARG B 721 3759 4442 4704 -550 927 -695 C ATOM 827 CD ARG B 721 10.836 -3.718 -14.017 1.00 46.76 C ANISOU 827 CD ARG B 721 5265 5911 6591 -498 1133 -820 C ATOM 828 NE ARG B 721 11.725 -3.859 -12.865 1.00 53.47 N ANISOU 828 NE ARG B 721 6113 6618 7585 -338 1125 -619 N ATOM 829 CZ ARG B 721 12.536 -4.897 -12.658 1.00 57.16 C ANISOU 829 CZ ARG B 721 6468 6941 8311 -254 1285 -641 C ATOM 830 NH1 ARG B 721 12.581 -5.901 -13.529 1.00 53.05 N1+ ANISOU 830 NH1 ARG B 721 5830 6361 7966 -320 1481 -895 N1+ ATOM 831 NH2 ARG B 721 13.310 -4.929 -11.579 1.00 58.29 N ANISOU 831 NH2 ARG B 721 6593 7010 8544 -105 1255 -415 N ATOM 0 H ARG B 721 12.064 1.201 -14.397 1.00 27.71 H new ATOM 0 HA ARG B 721 9.717 0.072 -15.177 1.00 26.55 H new ATOM 0 HB2 ARG B 721 11.533 -1.429 -15.224 1.00 28.70 H new ATOM 0 HB3 ARG B 721 11.778 -1.185 -13.703 1.00 28.70 H new ATOM 0 HG2 ARG B 721 9.721 -2.199 -13.185 1.00 33.96 H new ATOM 0 HG3 ARG B 721 9.416 -2.392 -14.702 1.00 33.96 H new ATOM 0 HD2 ARG B 721 10.173 -4.426 -13.999 1.00 46.76 H new ATOM 0 HD3 ARG B 721 11.348 -3.830 -14.833 1.00 46.76 H new ATOM 0 HE ARG B 721 11.725 -3.229 -12.280 1.00 53.47 H new ATOM 0 HH11 ARG B 721 12.085 -5.884 -14.231 1.00 53.05 H new ATOM 0 HH12 ARG B 721 13.106 -6.568 -13.390 1.00 53.05 H new ATOM 0 HH21 ARG B 721 13.288 -4.281 -11.015 1.00 58.29 H new ATOM 0 HH22 ARG B 721 13.833 -5.598 -11.445 1.00 58.29 H new ATOM 832 N ILE B 722 8.413 0.458 -13.132 1.00 25.37 N ANISOU 832 N ILE B 722 2915 3450 3275 -535 500 -338 N ATOM 833 CA ILE B 722 7.708 0.748 -11.890 1.00 24.59 C ANISOU 833 CA ILE B 722 2897 3226 3219 -423 421 -234 C ATOM 834 C ILE B 722 6.939 -0.492 -11.492 1.00 30.62 C ANISOU 834 C ILE B 722 3645 3871 4118 -370 551 -314 C ATOM 835 O ILE B 722 6.005 -0.903 -12.180 1.00 33.01 O ANISOU 835 O ILE B 722 3928 4211 4405 -448 607 -438 O ATOM 836 CB ILE B 722 6.749 1.944 -12.022 1.00 25.70 C ANISOU 836 CB ILE B 722 3098 3426 3240 -461 274 -161 C ATOM 837 CG1 ILE B 722 7.504 3.206 -12.473 1.00 24.91 C ANISOU 837 CG1 ILE B 722 2992 3409 3062 -521 159 -56 C ATOM 838 CG2 ILE B 722 6.040 2.204 -10.670 1.00 24.20 C ANISOU 838 CG2 ILE B 722 2975 3120 3099 -341 207 -94 C ATOM 839 CD1 ILE B 722 7.404 3.498 -13.963 1.00 33.06 C ANISOU 839 CD1 ILE B 722 3962 4637 3962 -663 161 -59 C ATOM 0 H ILE B 722 7.909 0.262 -13.801 1.00 25.37 H new ATOM 0 HA ILE B 722 8.358 0.991 -11.213 1.00 24.59 H new ATOM 0 HB ILE B 722 6.085 1.730 -12.696 1.00 25.70 H new ATOM 0 HG12 ILE B 722 7.161 3.968 -11.981 1.00 24.91 H new ATOM 0 HG13 ILE B 722 8.440 3.113 -12.235 1.00 24.91 H new ATOM 0 HG21 ILE B 722 5.437 2.959 -10.760 1.00 24.20 H new ATOM 0 HG22 ILE B 722 5.535 1.417 -10.412 1.00 24.20 H new ATOM 0 HG23 ILE B 722 6.703 2.400 -9.989 1.00 24.20 H new ATOM 0 HD11 ILE B 722 7.903 4.304 -14.169 1.00 33.06 H new ATOM 0 HD12 ILE B 722 7.772 2.754 -14.464 1.00 33.06 H new ATOM 0 HD13 ILE B 722 6.473 3.623 -14.207 1.00 33.06 H new ATOM 840 N ALA B 723 7.354 -1.121 -10.404 1.00 27.17 N ANISOU 840 N ALA B 723 3194 3306 3824 -244 607 -234 N ATOM 841 CA ALA B 723 6.653 -2.317 -9.944 1.00 27.61 C ANISOU 841 CA ALA B 723 3216 3220 4055 -185 744 -260 C ATOM 842 C ALA B 723 5.859 -1.971 -8.712 1.00 28.15 C ANISOU 842 C ALA B 723 3344 3262 4090 -84 659 -120 C ATOM 843 O ALA B 723 6.432 -1.809 -7.628 1.00 25.82 O ANISOU 843 O ALA B 723 3039 2973 3796 28 615 30 O ATOM 844 CB ALA B 723 7.632 -3.442 -9.653 1.00 29.43 C ANISOU 844 CB ALA B 723 3348 3325 4510 -107 900 -234 C ATOM 0 H ALA B 723 8.025 -0.881 -9.923 1.00 27.17 H new ATOM 0 HA ALA B 723 6.054 -2.626 -10.641 1.00 27.61 H new ATOM 0 HB1 ALA B 723 7.145 -4.224 -9.350 1.00 29.43 H new ATOM 0 HB2 ALA B 723 8.124 -3.660 -10.460 1.00 29.43 H new ATOM 0 HB3 ALA B 723 8.253 -3.160 -8.963 1.00 29.43 H new ATOM 845 N THR B 724 4.546 -1.835 -8.861 1.00 29.05 N ANISOU 845 N THR B 724 3499 3384 4155 -126 635 -176 N ATOM 846 CA THR B 724 3.723 -1.464 -7.718 1.00 38.52 C ANISOU 846 CA THR B 724 4744 4581 5310 -36 558 -66 C ATOM 847 C THR B 724 3.499 -2.690 -6.838 1.00 43.84 C ANISOU 847 C THR B 724 5355 5137 6167 62 699 26 C ATOM 848 O THR B 724 3.465 -3.829 -7.327 1.00 34.08 O ANISOU 848 O THR B 724 4050 3773 5124 31 865 -47 O ATOM 849 CB THR B 724 2.380 -0.850 -8.146 1.00 33.15 C ANISOU 849 CB THR B 724 4116 3956 4523 -104 482 -139 C ATOM 850 OG1 THR B 724 1.577 -1.853 -8.776 1.00 33.65 O ANISOU 850 OG1 THR B 724 4135 3966 4684 -173 613 -262 O ATOM 851 CG2 THR B 724 2.620 0.303 -9.131 1.00 31.27 C ANISOU 851 CG2 THR B 724 3908 3832 4140 -200 360 -177 C ATOM 0 H THR B 724 4.120 -1.950 -9.599 1.00 29.05 H new ATOM 0 HA THR B 724 4.194 -0.782 -7.215 1.00 38.52 H new ATOM 0 HB THR B 724 1.922 -0.509 -7.362 1.00 33.15 H new ATOM 0 HG1 THR B 724 1.975 -2.144 -9.456 1.00 33.65 H new ATOM 0 HG21 THR B 724 1.769 0.685 -9.396 1.00 31.27 H new ATOM 0 HG22 THR B 724 3.161 0.986 -8.705 1.00 31.27 H new ATOM 0 HG23 THR B 724 3.082 -0.032 -9.915 1.00 31.27 H new ATOM 852 N GLU B 725 3.355 -2.443 -5.537 1.00 44.66 N ANISOU 852 N GLU B 725 5460 5291 6218 178 640 185 N ATOM 853 CA GLU B 725 3.479 -3.504 -4.542 1.00 50.79 C ANISOU 853 CA GLU B 725 6146 6004 7148 296 760 364 C ATOM 854 C GLU B 725 2.182 -4.294 -4.328 1.00 44.05 C ANISOU 854 C GLU B 725 5270 5051 6417 297 866 378 C ATOM 855 O GLU B 725 2.216 -5.422 -3.836 1.00 43.50 O ANISOU 855 O GLU B 725 5102 4861 6564 367 1018 521 O ATOM 856 CB GLU B 725 3.986 -2.915 -3.216 1.00 52.03 C ANISOU 856 CB GLU B 725 6276 6338 7155 414 651 538 C ATOM 857 CG GLU B 725 5.489 -2.577 -3.230 1.00 53.24 C ANISOU 857 CG GLU B 725 6394 6566 7268 436 601 573 C ATOM 858 CD GLU B 725 5.949 -1.791 -2.005 1.00 60.67 C ANISOU 858 CD GLU B 725 7297 7739 8016 520 470 674 C ATOM 859 OE1 GLU B 725 5.233 -1.795 -0.976 1.00 52.60 O ANISOU 859 OE1 GLU B 725 6242 6834 6911 591 451 766 O ATOM 860 OE2 GLU B 725 7.043 -1.184 -2.067 1.00 67.73 O1+ ANISOU 860 OE2 GLU B 725 8177 8722 8837 507 391 647 O1+ ATOM 0 H GLU B 725 3.185 -1.666 -5.210 1.00 44.66 H new ATOM 0 HA GLU B 725 4.123 -4.142 -4.886 1.00 50.79 H new ATOM 0 HB2 GLU B 725 3.483 -2.111 -3.014 1.00 52.03 H new ATOM 0 HB3 GLU B 725 3.810 -3.547 -2.501 1.00 52.03 H new ATOM 0 HG2 GLU B 725 5.998 -3.401 -3.286 1.00 53.24 H new ATOM 0 HG3 GLU B 725 5.690 -2.064 -4.028 1.00 53.24 H new ATOM 861 N GLY B 726 1.046 -3.713 -4.700 1.00 35.53 N ANISOU 861 N GLY B 726 4263 4013 5224 221 794 248 N ATOM 862 CA GLY B 726 -0.199 -4.462 -4.728 1.00 42.22 C ANISOU 862 CA GLY B 726 5083 4766 6194 190 900 215 C ATOM 863 C GLY B 726 -0.786 -4.780 -3.361 1.00 47.15 C ANISOU 863 C GLY B 726 5659 5426 6831 306 927 425 C ATOM 864 O GLY B 726 -1.502 -5.770 -3.195 1.00 36.12 O ANISOU 864 O GLY B 726 4195 3902 5627 306 1071 475 O ATOM 0 H GLY B 726 0.977 -2.890 -4.939 1.00 35.53 H new ATOM 0 HA2 GLY B 726 -0.853 -3.958 -5.237 1.00 42.22 H new ATOM 0 HA3 GLY B 726 -0.050 -5.294 -5.203 1.00 42.22 H new ATOM 865 N LYS B 727 -0.476 -3.941 -2.378 1.00 49.33 N ANISOU 865 N LYS B 727 5949 5889 6904 398 796 540 N ATOM 866 CA LYS B 727 -0.990 -4.118 -1.028 1.00 39.51 C ANISOU 866 CA LYS B 727 4639 4768 5604 506 806 737 C ATOM 867 C LYS B 727 -2.419 -3.580 -0.920 1.00 42.87 C ANISOU 867 C LYS B 727 5114 5259 5916 471 746 634 C ATOM 868 O LYS B 727 -2.890 -2.829 -1.787 1.00 39.93 O ANISOU 868 O LYS B 727 4830 4868 5474 380 659 431 O ATOM 869 CB LYS B 727 -0.077 -3.418 -0.009 1.00 44.34 C ANISOU 869 CB LYS B 727 5216 5618 6015 605 691 853 C ATOM 870 CG LYS B 727 1.333 -4.016 0.101 1.00 48.77 C ANISOU 870 CG LYS B 727 5693 6157 6679 666 752 1010 C ATOM 871 CD LYS B 727 2.229 -3.194 1.033 1.00 56.92 C ANISOU 871 CD LYS B 727 6679 7473 7476 741 617 1077 C ATOM 872 CE LYS B 727 3.661 -3.745 1.113 1.00 56.50 C ANISOU 872 CE LYS B 727 6529 7424 7515 805 667 1240 C ATOM 873 NZ LYS B 727 3.768 -4.986 1.937 1.00 63.56 N1+ ANISOU 873 NZ LYS B 727 7259 8332 8558 928 813 1579 N1+ ATOM 0 H LYS B 727 0.036 -3.257 -2.475 1.00 49.33 H new ATOM 0 HA LYS B 727 -1.004 -5.067 -0.830 1.00 39.51 H new ATOM 0 HB2 LYS B 727 -0.001 -2.482 -0.250 1.00 44.34 H new ATOM 0 HB3 LYS B 727 -0.499 -3.453 0.864 1.00 44.34 H new ATOM 0 HG2 LYS B 727 1.273 -4.927 0.430 1.00 48.77 H new ATOM 0 HG3 LYS B 727 1.736 -4.059 -0.780 1.00 48.77 H new ATOM 0 HD2 LYS B 727 2.256 -2.275 0.723 1.00 56.92 H new ATOM 0 HD3 LYS B 727 1.841 -3.182 1.922 1.00 56.92 H new ATOM 0 HE2 LYS B 727 3.981 -3.931 0.216 1.00 56.50 H new ATOM 0 HE3 LYS B 727 4.243 -3.065 1.486 1.00 56.50 H new ATOM 0 HZ1 LYS B 727 4.614 -5.262 1.950 1.00 63.56 H new ATOM 0 HZ2 LYS B 727 3.499 -4.815 2.768 1.00 63.56 H new ATOM 0 HZ3 LYS B 727 3.255 -5.622 1.584 1.00 63.56 H new ATOM 874 N THR B 728 -3.109 -3.976 0.143 1.00 35.68 N ANISOU 874 N THR B 728 4127 4440 4989 546 796 797 N ATOM 875 CA THR B 728 -4.407 -3.403 0.451 1.00 40.50 C ANISOU 875 CA THR B 728 4764 5154 5470 534 735 714 C ATOM 876 C THR B 728 -4.291 -2.581 1.722 1.00 36.79 C ANISOU 876 C THR B 728 4252 4973 4752 633 624 777 C ATOM 877 O THR B 728 -3.633 -2.991 2.671 1.00 37.18 O ANISOU 877 O THR B 728 4198 5170 4758 725 660 988 O ATOM 878 CB THR B 728 -5.483 -4.487 0.609 1.00 49.00 C ANISOU 878 CB THR B 728 5770 6127 6719 520 891 810 C ATOM 879 OG1 THR B 728 -5.644 -5.174 -0.639 1.00 51.69 O ANISOU 879 OG1 THR B 728 6134 6218 7289 405 992 672 O ATOM 880 CG2 THR B 728 -6.815 -3.869 1.017 1.00 44.42 C ANISOU 880 CG2 THR B 728 5203 5686 5988 518 825 732 C ATOM 0 H THR B 728 -2.841 -4.576 0.698 1.00 35.68 H new ATOM 0 HA THR B 728 -4.680 -2.836 -0.287 1.00 40.50 H new ATOM 0 HB THR B 728 -5.203 -5.107 1.301 1.00 49.00 H new ATOM 0 HG1 THR B 728 -6.231 -5.769 -0.558 1.00 51.69 H new ATOM 0 HG21 THR B 728 -7.481 -4.568 1.112 1.00 44.42 H new ATOM 0 HG22 THR B 728 -6.711 -3.405 1.863 1.00 44.42 H new ATOM 0 HG23 THR B 728 -7.102 -3.240 0.337 1.00 44.42 H new ATOM 881 N TYR B 729 -4.917 -1.411 1.725 1.00 30.46 N ANISOU 881 N TYR B 729 3510 4268 3796 612 494 587 N ATOM 882 CA TYR B 729 -4.877 -0.526 2.876 1.00 31.47 C ANISOU 882 CA TYR B 729 3584 4674 3700 688 393 560 C ATOM 883 C TYR B 729 -6.285 -0.240 3.367 1.00 36.16 C ANISOU 883 C TYR B 729 4151 5370 4216 701 387 494 C ATOM 884 O TYR B 729 -7.234 -0.251 2.579 1.00 30.84 O ANISOU 884 O TYR B 729 3541 4537 3642 637 402 400 O ATOM 885 CB TYR B 729 -4.179 0.790 2.514 1.00 34.11 C ANISOU 885 CB TYR B 729 3986 5016 3958 657 242 354 C ATOM 886 CG TYR B 729 -2.842 0.620 1.833 1.00 30.45 C ANISOU 886 CG TYR B 729 3557 4436 3574 624 240 387 C ATOM 887 CD1 TYR B 729 -2.762 0.463 0.464 1.00 28.59 C ANISOU 887 CD1 TYR B 729 3414 3963 3487 532 260 324 C ATOM 888 CD2 TYR B 729 -1.657 0.620 2.561 1.00 31.65 C ANISOU 888 CD2 TYR B 729 3632 4758 3637 682 218 476 C ATOM 889 CE1 TYR B 729 -1.536 0.308 -0.184 1.00 33.08 C ANISOU 889 CE1 TYR B 729 4003 4445 4121 499 266 341 C ATOM 890 CE2 TYR B 729 -0.421 0.468 1.923 1.00 32.90 C ANISOU 890 CE2 TYR B 729 3813 4813 3873 654 219 505 C ATOM 891 CZ TYR B 729 -0.374 0.311 0.546 1.00 37.09 C ANISOU 891 CZ TYR B 729 4443 5087 4561 562 247 433 C ATOM 892 OH TYR B 729 0.833 0.158 -0.120 1.00 36.30 O ANISOU 892 OH TYR B 729 4357 4902 4535 530 256 447 O ATOM 0 H TYR B 729 -5.375 -1.110 1.062 1.00 30.46 H new ATOM 0 HA TYR B 729 -4.377 -0.964 3.582 1.00 31.47 H new ATOM 0 HB2 TYR B 729 -4.762 1.304 1.934 1.00 34.11 H new ATOM 0 HB3 TYR B 729 -4.054 1.310 3.323 1.00 34.11 H new ATOM 0 HD1 TYR B 729 -3.544 0.460 -0.039 1.00 28.59 H new ATOM 0 HD2 TYR B 729 -1.687 0.722 3.485 1.00 31.65 H new ATOM 0 HE1 TYR B 729 -1.506 0.203 -1.108 1.00 33.08 H new ATOM 0 HE2 TYR B 729 0.365 0.472 2.420 1.00 32.90 H new ATOM 0 HH TYR B 729 1.464 0.178 0.434 1.00 36.30 H new ATOM 893 N THR B 730 -6.421 0.027 4.661 1.00 32.46 N ANISOU 893 N THR B 730 3573 5204 3555 781 366 534 N ATOM 894 CA THR B 730 -7.705 0.422 5.228 1.00 35.96 C ANISOU 894 CA THR B 730 3973 5788 3900 801 357 443 C ATOM 895 C THR B 730 -7.538 1.678 6.060 1.00 35.07 C ANISOU 895 C THR B 730 3804 5937 3583 842 238 234 C ATOM 896 O THR B 730 -6.602 1.788 6.825 1.00 40.29 O ANISOU 896 O THR B 730 4378 6832 4099 885 209 273 O ATOM 897 CB THR B 730 -8.313 -0.674 6.113 1.00 42.78 C ANISOU 897 CB THR B 730 4709 6811 4733 854 490 702 C ATOM 898 OG1 THR B 730 -8.374 -1.903 5.383 1.00 47.66 O ANISOU 898 OG1 THR B 730 5355 7155 5600 810 623 882 O ATOM 899 CG2 THR B 730 -9.718 -0.279 6.551 1.00 47.69 C ANISOU 899 CG2 THR B 730 5291 7561 5267 861 487 589 C ATOM 0 H THR B 730 -5.778 -0.015 5.231 1.00 32.46 H new ATOM 0 HA THR B 730 -8.306 0.580 4.483 1.00 35.96 H new ATOM 0 HB THR B 730 -7.755 -0.787 6.898 1.00 42.78 H new ATOM 0 HG1 THR B 730 -8.706 -2.502 5.870 1.00 47.66 H new ATOM 0 HG21 THR B 730 -10.092 -0.979 7.109 1.00 47.69 H new ATOM 0 HG22 THR B 730 -9.679 0.549 7.054 1.00 47.69 H new ATOM 0 HG23 THR B 730 -10.278 -0.156 5.769 1.00 47.69 H new ATOM 900 N GLU B 731 -8.447 2.626 5.883 1.00 38.34 N ANISOU 900 N GLU B 731 4251 6311 4006 826 173 -2 N ATOM 901 CA GLU B 731 -8.465 3.850 6.669 1.00 37.94 C ANISOU 901 CA GLU B 731 4124 6473 3817 859 81 -258 C ATOM 902 C GLU B 731 -9.821 3.995 7.325 1.00 39.23 C ANISOU 902 C GLU B 731 4205 6801 3900 896 114 -339 C ATOM 903 O GLU B 731 -10.852 3.769 6.692 1.00 45.70 O ANISOU 903 O GLU B 731 5083 7437 4845 873 149 -317 O ATOM 904 CB GLU B 731 -8.192 5.075 5.788 1.00 42.29 C ANISOU 904 CB GLU B 731 4774 6773 4522 810 -29 -497 C ATOM 905 CG GLU B 731 -6.846 5.056 5.090 1.00 44.05 C ANISOU 905 CG GLU B 731 5073 6841 4821 763 -66 -438 C ATOM 906 CD GLU B 731 -5.781 5.755 5.901 1.00 49.01 C ANISOU 906 CD GLU B 731 5611 7682 5330 778 -132 -580 C ATOM 907 OE1 GLU B 731 -6.144 6.411 6.900 1.00 46.28 O ANISOU 907 OE1 GLU B 731 5145 7582 4859 814 -157 -779 O ATOM 908 OE2 GLU B 731 -4.586 5.646 5.552 1.00 47.31 O1+ ANISOU 908 OE2 GLU B 731 5426 7409 5139 749 -155 -514 O1+ ATOM 0 H GLU B 731 -9.076 2.577 5.299 1.00 38.34 H new ATOM 0 HA GLU B 731 -7.768 3.797 7.342 1.00 37.94 H new ATOM 0 HB2 GLU B 731 -8.891 5.140 5.118 1.00 42.29 H new ATOM 0 HB3 GLU B 731 -8.249 5.873 6.336 1.00 42.29 H new ATOM 0 HG2 GLU B 731 -6.579 4.138 4.929 1.00 44.05 H new ATOM 0 HG3 GLU B 731 -6.925 5.484 4.223 1.00 44.05 H new ATOM 909 N LYS B 732 -9.828 4.397 8.584 1.00 35.43 N ANISOU 909 N LYS B 732 3569 6695 3199 949 104 -452 N ATOM 910 CA LYS B 732 -11.076 4.689 9.266 1.00 31.76 C ANISOU 910 CA LYS B 732 3003 6423 2641 985 132 -581 C ATOM 911 C LYS B 732 -11.412 6.168 9.090 1.00 36.81 C ANISOU 911 C LYS B 732 3649 6951 3386 981 41 -968 C ATOM 912 O LYS B 732 -10.580 7.044 9.367 1.00 37.72 O ANISOU 912 O LYS B 732 3723 7127 3482 973 -30 -1191 O ATOM 913 CB LYS B 732 -10.977 4.331 10.751 1.00 31.03 C ANISOU 913 CB LYS B 732 2713 6818 2261 1029 166 -499 C ATOM 914 CG LYS B 732 -12.174 4.785 11.550 1.00 37.91 C ANISOU 914 CG LYS B 732 3476 7853 3074 1031 148 -658 C ATOM 915 CD LYS B 732 -11.930 4.719 13.063 1.00 48.90 C ANISOU 915 CD LYS B 732 4652 9692 4234 1037 112 -629 C ATOM 916 CE LYS B 732 -12.288 3.359 13.647 1.00 55.61 C ANISOU 916 CE LYS B 732 5422 10731 4974 1065 196 -225 C ATOM 917 NZ LYS B 732 -12.376 3.402 15.136 1.00 61.10 N1+ ANISOU 917 NZ LYS B 732 5876 11892 5447 1079 154 -225 N1+ ATOM 0 H LYS B 732 -9.122 4.507 9.062 1.00 35.43 H new ATOM 0 HA LYS B 732 -11.785 4.152 8.878 1.00 31.76 H new ATOM 0 HB2 LYS B 732 -10.881 3.370 10.841 1.00 31.03 H new ATOM 0 HB3 LYS B 732 -10.176 4.732 11.122 1.00 31.03 H new ATOM 0 HG2 LYS B 732 -12.399 5.695 11.301 1.00 37.91 H new ATOM 0 HG3 LYS B 732 -12.938 4.232 11.324 1.00 37.91 H new ATOM 0 HD2 LYS B 732 -10.997 4.912 13.247 1.00 48.90 H new ATOM 0 HD3 LYS B 732 -12.454 5.406 13.503 1.00 48.90 H new ATOM 0 HE2 LYS B 732 -13.136 3.063 13.281 1.00 55.61 H new ATOM 0 HE3 LYS B 732 -11.621 2.707 13.381 1.00 55.61 H new ATOM 0 HZ1 LYS B 732 -12.586 2.594 15.445 1.00 61.10 H new ATOM 0 HZ2 LYS B 732 -11.591 3.653 15.473 1.00 61.10 H new ATOM 0 HZ3 LYS B 732 -13.003 3.985 15.380 1.00 61.10 H new ATOM 918 N VAL B 733 -12.623 6.445 8.618 1.00 36.19 N ANISOU 918 N VAL B 733 3606 6697 3447 985 50 -1044 N ATOM 919 CA VAL B 733 -13.073 7.819 8.463 1.00 33.96 C ANISOU 919 CA VAL B 733 3304 6281 3319 998 -18 -1377 C ATOM 920 C VAL B 733 -14.318 8.059 9.311 1.00 43.35 C ANISOU 920 C VAL B 733 4368 7661 4444 1024 8 -1495 C ATOM 921 O VAL B 733 -15.233 7.232 9.345 1.00 40.62 O ANISOU 921 O VAL B 733 4014 7385 4035 1038 83 -1321 O ATOM 922 CB VAL B 733 -13.373 8.158 6.992 1.00 39.53 C ANISOU 922 CB VAL B 733 4159 6543 4316 962 -67 -1330 C ATOM 923 CG1 VAL B 733 -13.847 9.592 6.869 1.00 40.06 C ANISOU 923 CG1 VAL B 733 4177 6452 4591 992 -127 -1627 C ATOM 924 CG2 VAL B 733 -12.130 7.947 6.150 1.00 38.53 C ANISOU 924 CG2 VAL B 733 4159 6217 4266 901 -109 -1189 C ATOM 0 H VAL B 733 -13.198 5.850 8.382 1.00 36.19 H new ATOM 0 HA VAL B 733 -12.356 8.399 8.763 1.00 33.96 H new ATOM 0 HB VAL B 733 -14.076 7.571 6.672 1.00 39.53 H new ATOM 0 HG11 VAL B 733 -14.032 9.793 5.938 1.00 40.06 H new ATOM 0 HG12 VAL B 733 -14.655 9.712 7.393 1.00 40.06 H new ATOM 0 HG13 VAL B 733 -13.158 10.190 7.197 1.00 40.06 H new ATOM 0 HG21 VAL B 733 -12.325 8.162 5.225 1.00 38.53 H new ATOM 0 HG22 VAL B 733 -11.419 8.523 6.472 1.00 38.53 H new ATOM 0 HG23 VAL B 733 -11.849 7.021 6.214 1.00 38.53 H new ATOM 925 N ILE B 734 -14.342 9.187 10.012 1.00 42.70 N ANISOU 925 N ILE B 734 4179 7641 4405 1008 -55 -1778 N ATOM 926 CA ILE B 734 -15.513 9.553 10.792 1.00 47.35 C ANISOU 926 CA ILE B 734 4646 8377 4968 1018 -44 -1913 C ATOM 927 C ILE B 734 -16.208 10.751 10.161 1.00 48.18 C ANISOU 927 C ILE B 734 4769 8156 5380 1029 -83 -2134 C ATOM 928 O ILE B 734 -15.587 11.790 9.926 1.00 45.68 O ANISOU 928 O ILE B 734 4447 7646 5263 1006 -141 -2322 O ATOM 929 CB ILE B 734 -15.138 9.860 12.240 1.00 45.39 C ANISOU 929 CB ILE B 734 4206 8513 4528 992 -69 -2067 C ATOM 930 CG1 ILE B 734 -14.536 8.612 12.882 1.00 42.42 C ANISOU 930 CG1 ILE B 734 3785 8474 3857 995 -32 -1777 C ATOM 931 CG2 ILE B 734 -16.353 10.329 13.027 1.00 49.03 C ANISOU 931 CG2 ILE B 734 4529 9127 4974 999 -60 -2246 C ATOM 932 CD1 ILE B 734 -13.853 8.887 14.193 1.00 40.12 C ANISOU 932 CD1 ILE B 734 3283 8583 3376 970 -73 -1898 C ATOM 0 H ILE B 734 -13.693 9.750 10.048 1.00 42.70 H new ATOM 0 HA ILE B 734 -16.122 8.798 10.795 1.00 47.35 H new ATOM 0 HB ILE B 734 -14.483 10.576 12.251 1.00 45.39 H new ATOM 0 HG12 ILE B 734 -15.238 7.957 13.021 1.00 42.42 H new ATOM 0 HG13 ILE B 734 -13.897 8.217 12.268 1.00 42.42 H new ATOM 0 HG21 ILE B 734 -16.093 10.518 13.942 1.00 49.03 H new ATOM 0 HG22 ILE B 734 -16.711 11.133 12.620 1.00 49.03 H new ATOM 0 HG23 ILE B 734 -17.030 9.635 13.021 1.00 49.03 H new ATOM 0 HD11 ILE B 734 -13.493 8.060 14.550 1.00 40.12 H new ATOM 0 HD12 ILE B 734 -13.132 9.521 14.056 1.00 40.12 H new ATOM 0 HD13 ILE B 734 -14.493 9.257 14.820 1.00 40.12 H new ATOM 933 N VAL B 735 -17.493 10.578 9.863 1.00 40.79 N ANISOU 933 N VAL B 735 3842 7152 4503 1061 -45 -2079 N ATOM 934 CA VAL B 735 -18.322 11.662 9.372 1.00 40.91 C ANISOU 934 CA VAL B 735 3842 6897 4806 1085 -74 -2246 C ATOM 935 C VAL B 735 -19.189 12.174 10.507 1.00 49.04 C ANISOU 935 C VAL B 735 4711 8142 5782 1088 -59 -2457 C ATOM 936 O VAL B 735 -19.967 11.413 11.095 1.00 43.29 O ANISOU 936 O VAL B 735 3932 7669 4847 1098 -7 -2363 O ATOM 937 CB VAL B 735 -19.219 11.221 8.196 1.00 39.79 C ANISOU 937 CB VAL B 735 3792 6539 4788 1124 -52 -2054 C ATOM 938 CG1 VAL B 735 -20.029 12.403 7.684 1.00 43.89 C ANISOU 938 CG1 VAL B 735 4272 6784 5619 1161 -88 -2186 C ATOM 939 CG2 VAL B 735 -18.380 10.629 7.072 1.00 41.23 C ANISOU 939 CG2 VAL B 735 4112 6548 5007 1117 -66 -1854 C ATOM 0 H VAL B 735 -17.905 9.827 9.941 1.00 40.79 H new ATOM 0 HA VAL B 735 -17.737 12.363 9.045 1.00 40.91 H new ATOM 0 HB VAL B 735 -19.829 10.537 8.514 1.00 39.79 H new ATOM 0 HG11 VAL B 735 -20.589 12.116 6.946 1.00 43.89 H new ATOM 0 HG12 VAL B 735 -20.588 12.747 8.399 1.00 43.89 H new ATOM 0 HG13 VAL B 735 -19.427 13.101 7.381 1.00 43.89 H new ATOM 0 HG21 VAL B 735 -18.960 10.358 6.343 1.00 41.23 H new ATOM 0 HG22 VAL B 735 -17.750 11.294 6.753 1.00 41.23 H new ATOM 0 HG23 VAL B 735 -17.895 9.857 7.402 1.00 41.23 H new ATOM 940 N LYS B 736 -19.037 13.456 10.830 1.00 57.05 N ANISOU 940 N LYS B 736 5629 9054 6993 1073 -98 -2741 N ATOM 941 CA LYS B 736 -19.828 14.083 11.886 1.00 60.18 C ANISOU 941 CA LYS B 736 5850 9639 7378 1071 -83 -2994 C ATOM 942 C LYS B 736 -20.876 15.018 11.300 1.00 65.18 C ANISOU 942 C LYS B 736 6469 9955 8342 1115 -78 -3096 C ATOM 943 O LYS B 736 -21.794 14.575 10.605 1.00 74.38 O ANISOU 943 O LYS B 736 7707 11010 9543 1165 -52 -2912 O ATOM 944 CB LYS B 736 -18.929 14.844 12.862 1.00 57.69 C ANISOU 944 CB LYS B 736 5379 9496 7045 1011 -116 -3278 C ATOM 945 CG LYS B 736 -18.385 13.991 14.003 1.00 61.02 C ANISOU 945 CG LYS B 736 5699 10411 7073 979 -111 -3229 C ATOM 0 H LYS B 736 -18.477 13.984 10.446 1.00 57.05 H new ATOM 0 HA LYS B 736 -20.283 13.377 12.372 1.00 60.18 H new ATOM 0 HB2 LYS B 736 -18.183 15.223 12.371 1.00 57.69 H new ATOM 0 HB3 LYS B 736 -19.429 15.586 13.236 1.00 57.69 H new TER 946 LYS B 736 HETATM 947 CA CA A 801 -15.224 -7.861 -1.027 1.00 84.62 CA ANISOU 947 CA CA A 801 9930 10237 11986 -67 1480 274 CA HETATM 948 ZN ZN B 801 14.803 -5.848 0.438 1.00 81.27 ZN ANISOU 948 ZN ZN B 801 8918 10782 11181 1151 822 1979 ZN HETATM 949 ZN ZN B 802 15.695 -7.671 -11.723 1.00 98.68 ZN ANISOU 949 ZN ZN B 802 11345 11758 14390 90 1685 -481 ZN HETATM 950 ZN ZN B 803 30.421 -5.891 -15.401 1.00105.21 ZN ANISOU 950 ZN ZN B 803 11012 14046 14915 95 1774 -534 ZN HETATM 951 ZN ZN B 804 22.757 -5.913 -13.371 1.00 82.42 ZN ANISOU 951 ZN ZN B 804 8827 10455 12032 64 1628 -455 ZN HETATM 952 ZN ZN B 805 7.233 -5.636 2.155 1.00107.02 ZN ANISOU 952 ZN ZN B 805 12510 13964 14190 1095 843 1922 ZN HETATM 953 O HOH A 901 -11.238 -1.987 -2.196 1.00 28.63 O ANISOU 953 O HOH A 901 3361 3626 3889 182 610 -10 O HETATM 954 O HOH A 902 17.950 15.095 -22.200 1.00 48.36 O ANISOU 954 O HOH A 902 4818 7522 6034 -1648 -254 2317 O HETATM 955 O HOH A 903 -2.900 0.421 -14.456 1.00 30.00 O ANISOU 955 O HOH A 903 3473 4488 3437 -774 319 -658 O HETATM 956 O HOH A 904 -1.854 4.366 -6.586 1.00 35.63 O ANISOU 956 O HOH A 904 4596 4427 4516 10 -109 -77 O HETATM 957 O HOH A 905 -21.404 3.702 9.100 1.00 37.88 O ANISOU 957 O HOH A 905 3512 7161 3719 999 483 -656 O HETATM 958 O HOH A 906 -1.002 -1.090 -10.480 1.00 29.92 O ANISOU 958 O HOH A 906 3663 3722 3982 -381 512 -472 O HETATM 959 O HOH A 907 -17.608 -6.129 5.262 1.00 50.31 O ANISOU 959 O HOH A 907 5282 7129 6704 473 1366 1137 O HETATM 960 O HOH A 908 2.020 -6.118 -14.553 1.00 39.33 O ANISOU 960 O HOH A 908 4318 4824 5801 -828 1350 -1533 O HETATM 961 O HOH A 909 3.632 10.779 2.383 1.00 47.52 O ANISOU 961 O HOH A 909 5505 6656 5895 263 -601 -1132 O HETATM 962 O HOH A 910 -23.443 5.276 8.230 1.00 48.80 O ANISOU 962 O HOH A 910 4859 8332 5350 1044 391 -1016 O HETATM 963 O HOH A 911 -15.223 18.769 7.610 1.00 51.59 O ANISOU 963 O HOH A 911 4991 6641 7970 930 -297 -3114 O HETATM 964 O HOH A 912 -26.390 -1.048 6.627 1.00 45.88 O ANISOU 964 O HOH A 912 4338 7779 5314 615 990 -10 O HETATM 965 O HOH A 913 -22.395 9.267 -2.846 1.00 40.37 O ANISOU 965 O HOH A 913 4201 5615 5524 834 -356 -503 O HETATM 966 O HOH A 914 -7.795 7.464 -14.126 1.00 48.11 O ANISOU 966 O HOH A 914 5672 6941 5665 -405 -487 456 O HETATM 967 O HOH A 915 -1.528 0.265 -8.259 1.00 44.03 O ANISOU 967 O HOH A 915 5563 5445 5721 -160 324 -221 O HETATM 968 O HOH A 916 -15.729 -0.332 -9.169 1.00 37.60 O ANISOU 968 O HOH A 916 4231 5379 4676 -425 283 -697 O HETATM 969 O HOH A 917 -3.016 9.462 -4.760 1.00 39.32 O ANISOU 969 O HOH A 917 4983 4666 5292 179 -481 -224 O HETATM 970 O HOH A 918 17.726 17.578 -22.693 1.00 54.46 O ANISOU 970 O HOH A 918 5437 8011 7246 -1632 -360 2845 O HETATM 971 O HOH A 919 -0.055 2.162 -6.456 1.00 34.93 O ANISOU 971 O HOH A 919 4474 4310 4488 10 109 -52 O HETATM 972 O HOH B 901 2.384 3.991 -6.710 1.00 37.23 O ANISOU 972 O HOH B 901 4770 4630 4745 -28 -61 -10 O HETATM 973 O HOH B 902 14.117 15.238 -13.779 1.00 38.63 O ANISOU 973 O HOH B 902 4230 4539 5909 -1142 -525 1139 O HETATM 974 O HOH B 903 11.179 -2.082 -10.755 1.00 25.35 O ANISOU 974 O HOH B 903 2749 3077 3805 -184 788 -211 O HETATM 975 O HOH B 904 16.034 -0.231 -4.069 1.00 41.14 O ANISOU 975 O HOH B 904 4395 5696 5542 408 309 663 O HETATM 976 O HOH B 905 21.440 3.554 -21.850 1.00 34.96 O ANISOU 976 O HOH B 905 3063 6619 3601 -1439 757 -179 O HETATM 977 O HOH B 906 0.913 -1.103 -2.599 1.00 30.66 O ANISOU 977 O HOH B 906 3723 3796 4131 366 430 358 O HETATM 978 O HOH B 907 8.510 12.399 -11.820 1.00 37.36 O ANISOU 978 O HOH B 907 4468 4425 5303 -669 -536 672 O HETATM 979 O HOH B 908 17.474 -6.011 -18.337 1.00 44.34 O ANISOU 979 O HOH B 908 4313 6026 6509 -707 1658 -1601 O HETATM 980 O HOH B 909 7.624 -3.857 -5.960 1.00 33.63 O ANISOU 980 O HOH B 909 3832 3805 5139 280 846 334 O HETATM 981 O HOH B 910 22.949 9.340 -10.699 1.00 44.57 O ANISOU 981 O HOH B 910 4647 6323 5965 -937 -215 289 O HETATM 982 O HOH B 911 -2.108 -6.337 1.616 1.00 38.37 O ANISOU 982 O HOH B 911 4183 4712 5682 738 1097 1407 O HETATM 983 O HOH B 912 -3.754 -0.116 6.016 1.00 33.98 O ANISOU 983 O HOH B 912 3589 5799 3524 896 322 774 O HETATM 984 O HOH B 913 1.349 0.772 -4.967 1.00 44.19 O ANISOU 984 O HOH B 913 5575 5467 5747 148 244 80 O HETATM 985 O HOH B 914 0.095 5.708 -6.504 1.00 41.43 O ANISOU 985 O HOH B 914 5331 5127 5284 -2 -219 -46 O END