USER MOD reduce.3.24.130724 H: found=0, std=0, add=1215, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1216 hydrogens (0 hets) HEADER SURFACE ACTIVE PROTEIN 08-FEB-06 2FYL TITLE HADDOCK MODEL OF THE COMPLEX BETWEEN DOUBLE MODULE OF LRP, TITLE 2 CR56, AND FIRST DOMAIN OF RECEPTOR ASSOCIATED PROTEIN, RAP- TITLE 3 D1. CAVEAT 2FYL CHIRALITY ERROR AT THE CB CENTER OF CYS B 65 COMPND MOL_ID: 1; COMPND 2 MOLECULE: ALPHA-2-MACROGLOBULIN RECEPTOR-ASSOCIATED COMPND 3 PROTEIN; COMPND 4 CHAIN: A; COMPND 5 FRAGMENT: RAPD1; COMPND 6 SYNONYM: ALPHA-2- MRAP, LOW DENSITY LIPOPROTEIN RECEPTOR- COMPND 7 RELATED PROTEIN-ASSOCIATED PROTEIN 1, RAP; COMPND 8 ENGINEERED: YES; COMPND 9 MOL_ID: 2; COMPND 0 MOLECULE: LOW-DENSITY LIPOPROTEIN RECEPTOR-RELATED PROTEIN COMPND 1 1; COMPND 2 CHAIN: B; COMPND 3 FRAGMENT: CR56; COMPND 4 SYNONYM: LRP, ALPHA-2-MACROGLOBULIN RECEPTOR; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 GENE: LRPAP1, A2MRAP; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 MOL_ID: 2; SOURCE 9 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 0 ORGANISM_COMMON: HUMAN; SOURCE 1 ORGANISM_TAXID: 9606; SOURCE 2 GENE: LRP1; SOURCE 3 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 4 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS COMPLEX, SHIFT-MAPPING, HADDOCK, NMR, INTERFACE, SURFACE KEYWDS 2 ACTIVE PROTEIN EXPDTA SOLUTION NMR AUTHOR G.A.JENSEN,O.M.ANDERSEN,A.M.BONVIN,I.BJERRUM-BOHR, AUTHOR 2 M.ETZERODT,C.O'SHEA,F.M.POULSEN,B.B.KRAGELUND REVDAT 2 24-FEB-09 2FYL 1 VERSN REVDAT 1 10-OCT-06 2FYL 0 JRNL AUTH G.A.JENSEN,O.M.ANDERSEN,A.M.BONVIN,I.BJERRUM-BOHR, JRNL AUTH 2 M.ETZERODT,C.O'SHEA,F.M.POULSEN,B.B.KRAGELUND JRNL TITL BINDING SITE STRUCTURE OF ONE LRP-RAP JRNL TITL 2 COMPLEX:IMPLICATIONS FOR A COMMON LIGAND-RECEPTOR JRNL TITL 3 BINDING MOTIF. JRNL REF J.MOL.BIOL. V. 362 700 2006 JRNL REFN ISSN 0022-2836 JRNL PMID 16938309 JRNL DOI 10.1016/J.JMB.2006.07.013 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : HADDOCK REMARK 3 AUTHORS : BONVIN ET AL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 2FYL COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 13-FEB-06. REMARK 100 THE RCSB ID CODE IS RCSB036465. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 7.0 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 0.1MM [U-99% 15N]-CR56; 0.1MM REMARK 210 RAPD1; H2O/D2O (90:10); 0.5MM REMARK 210 [U-99% 15N]-RAPD1; 0.5MM CR56; REMARK 210 H2O/D2O (90:10); 0.08 MM [U- REMARK 210 99% 15N, U-99% 13C]-CR56; 0.08 REMARK 210 MM [U-99% 15N, U-99% 13C]- REMARK 210 RAPD1; H2O/D2O (90:10) REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : EXCHANGE 15N,1H-HSQC, REMARK 210 EXCHANGE 15N,1H,-HSQC, HNCA, REMARK 210 HNCACB, HN(CO)CACB REMARK 210 SPECTROMETER FIELD STRENGTH : 750 MHZ, 800 MHZ REMARK 210 SPECTROMETER MODEL : INOVA REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : PRONTO3D 20020517, HADDOCK REMARK 210 METHOD USED : HADDOCK MODELLING FROM REMARK 210 CHEMICAL SHIFT PERTURBATION REMARK 210 DATA ON BOTH COMPLEX PARTNERS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 200 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : BEST AVERAGED HADDOCK SCORE REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 5 REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 CYS B 65 CB CYS B 65 SG -0.656 REMARK 500 ASN B 69 CG ASN B 69 OD1 1.283 REMARK 500 ASN B 69 CG ASN B 69 ND2 1.009 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 ASP A 65 CB - CG - OD1 ANGL. DEV. = -22.9 DEGREES REMARK 500 GLU A 69 CG - CD - OE2 ANGL. DEV. = -95.3 DEGREES REMARK 500 ASP B 32 CB - CG - OD1 ANGL. DEV. = -14.9 DEGREES REMARK 500 ASP B 32 CB - CG - OD2 ANGL. DEV. = 12.2 DEGREES REMARK 500 CYS B 65 CA - CB - SG ANGL. DEV. = -79.2 DEGREES REMARK 500 ASN B 69 OD1 - CG - ND2 ANGL. DEV. = -67.1 DEGREES REMARK 500 ASN B 69 CB - CG - ND2 ANGL. DEV. = 40.7 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 HIS A 36 106.68 70.88 REMARK 500 ASP A 95 -58.18 -161.21 REMARK 500 CYS B 5 148.94 70.40 REMARK 500 ALA B 13 -71.94 -24.77 REMARK 500 SER B 14 34.40 -80.76 REMARK 500 ARG B 16 -156.31 -84.89 REMARK 500 THR B 23 -99.51 -58.39 REMARK 500 ASP B 25 -52.12 -140.71 REMARK 500 LEU B 26 -20.58 161.62 REMARK 500 ASP B 29 -108.72 -96.32 REMARK 500 CYS B 30 30.65 -169.62 REMARK 500 ARG B 33 -42.13 -158.65 REMARK 500 SER B 37 -55.04 81.80 REMARK 500 ALA B 38 41.89 -79.87 REMARK 500 SER B 39 -64.18 -144.80 REMARK 500 ALA B 41 -2.11 72.07 REMARK 500 TYR B 42 73.29 55.20 REMARK 500 CYS B 45 -71.28 68.55 REMARK 500 PHE B 46 107.84 -169.22 REMARK 500 PRO B 47 45.21 -85.02 REMARK 500 CYS B 53 -164.16 -72.14 REMARK 500 ASN B 54 98.86 -29.72 REMARK 500 ASN B 62 48.53 -100.97 REMARK 500 ARG B 64 -73.76 -54.14 REMARK 500 CYS B 65 -68.15 66.67 REMARK 500 ASP B 68 -163.94 -114.55 REMARK 500 ASP B 70 -140.18 -80.89 REMARK 500 CYS B 71 150.14 -40.43 REMARK 500 GLU B 77 -59.41 -166.60 REMARK 500 SER B 81 -71.25 -62.65 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 ASP A 65 0.17 SIDE_CHAIN REMARK 500 GLU A 69 0.19 SIDE_CHAIN REMARK 500 ASN B 69 0.15 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CA B 83 CA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 TRP B 22 O REMARK 620 2 THR B 23 O 80.7 REMARK 620 3 ASP B 25 OD1 81.3 90.2 REMARK 620 4 GLU B 36 OE2 133.3 70.9 63.0 REMARK 620 5 ASP B 27 O 136.2 141.8 87.4 74.1 REMARK 620 6 ASP B 29 OD1 70.9 138.2 114.1 149.9 75.8 REMARK 620 7 ASP B 35 OD1 84.6 78.9 163.4 123.5 108.9 68.7 REMARK 620 N 1 2 3 4 5 6 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CA B 84 CA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 GLU B 77 OE2 REMARK 620 2 ASP B 70 OD1 150.8 REMARK 620 3 ASP B 76 OD1 115.2 63.0 REMARK 620 4 TRP B 63 O 120.6 85.2 60.9 REMARK 620 5 ARG B 64 O 90.2 113.5 130.0 69.1 REMARK 620 6 ASP B 66 OD1 59.5 107.7 153.1 145.9 76.8 REMARK 620 N 1 2 3 4 5 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA B 83 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA B 84 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 2FYJ RELATED DB: PDB REMARK 900 CR56 REMARK 900 RELATED ID: 1LRE RELATED DB: PDB REMARK 900 RAP-D1 DBREF 2FYL A 17 97 UNP P30533 AMRP_HUMAN 51 131 DBREF 2FYL B 1 82 UNP Q07954 LRP1_HUMAN 932 1013 SEQRES 1 A 81 GLY GLU GLU PHE ARG MET GLU LYS LEU ASN GLN LEU TRP SEQRES 2 A 81 GLU LYS ALA GLN ARG LEU HIS LEU PRO PRO VAL ARG LEU SEQRES 3 A 81 ALA GLU LEU HIS ALA ASP LEU LYS ILE GLN GLU ARG ASP SEQRES 4 A 81 GLU LEU ALA TRP LYS LYS LEU LYS LEU ASP GLY LEU ASP SEQRES 5 A 81 GLU ASP GLY GLU LYS GLU ALA ARG LEU ILE ARG ASN LEU SEQRES 6 A 81 ASN VAL ILE LEU ALA LYS TYR GLY LEU ASP GLY LYS LYS SEQRES 7 A 81 ASP ALA ARG SEQRES 1 B 82 SER ALA ARG THR CYS PRO PRO ASN GLN PHE SER CYS ALA SEQRES 2 B 82 SER GLY ARG CYS ILE PRO ILE SER TRP THR CYS ASP LEU SEQRES 3 B 82 ASP ASP ASP CYS GLY ASP ARG SER ASP GLU SER ALA SER SEQRES 4 B 82 CYS ALA TYR PRO THR CYS PHE PRO LEU THR GLN PHE THR SEQRES 5 B 82 CYS ASN ASN GLY ARG CYS ILE ASN ILE ASN TRP ARG CYS SEQRES 6 B 82 ASP ASN ASP ASN ASP CYS GLY ASP ASN SER ASP GLU ALA SEQRES 7 B 82 GLY CYS SER HIS HET CA B 83 1 HET CA B 84 1 HETNAM CA CALCIUM ION FORMUL 3 CA 2(CA 2+) HELIX 1 1 MET A 22 LEU A 35 1 14 HELIX 2 2 PRO A 38 GLY A 66 1 29 HELIX 3 3 GLY A 71 GLY A 89 1 19 HELIX 4 4 SER B 21 THR B 23 5 3 SHEET 1 A 2 GLN B 9 PHE B 10 0 SHEET 2 A 2 ILE B 18 PRO B 19 -1 O ILE B 18 N PHE B 10 SHEET 1 B 2 GLN B 50 CYS B 53 0 SHEET 2 B 2 ARG B 57 ASN B 60 -1 O ILE B 59 N PHE B 51 SSBOND *** CYS B 5 CYS B 17 1555 1555 2.03 SSBOND *** CYS B 12 CYS B 30 1555 1555 2.04 SSBOND *** CYS B 24 CYS B 40 1555 1555 2.02 SSBOND *** CYS B 45 CYS B 58 1555 1555 2.03 SSBOND *** CYS B 53 CYS B 71 1555 1555 2.03 LINK CA CA B 83 O TRP B 22 1555 1555 1.91 LINK CA CA B 83 O THR B 23 1555 1555 1.97 LINK CA CA B 83 OD1 ASP B 25 1555 1555 2.52 LINK CA CA B 83 OE2 GLU B 36 1555 1555 2.52 LINK CA CA B 83 O ASP B 27 1555 1555 2.10 LINK CA CA B 83 OD1 ASP B 29 1555 1555 2.52 LINK CA CA B 83 OD1 ASP B 35 1555 1555 2.51 LINK CA CA B 84 OE2 GLU B 77 1555 1555 2.50 LINK CA CA B 84 OD1 ASP B 70 1555 1555 2.51 LINK CA CA B 84 OD1 ASP B 76 1555 1555 2.49 LINK CA CA B 84 O TRP B 63 1555 1555 2.86 LINK CA CA B 84 O ARG B 64 1555 1555 1.82 LINK CA CA B 84 OD1 ASP B 66 1555 1555 2.51 SITE *** AC1 7 TRP B 22 THR B 23 ASP B 25 ASP B 27 SITE *** AC1 7 ASP B 29 ASP B 35 GLU B 36 SITE *** AC2 6 TRP B 63 ARG B 64 ASP B 66 ASP B 70 SITE *** AC2 6 ASP B 76 GLU B 77 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 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 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 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 Set 1.1: A 87 LYS NZ :NH3+ 141:sc= 2.37 (180deg=0.0616) USER MOD Set 1.2: A 88 TYR OH : rot -150:sc= 2.16 USER MOD Set 2.1: A 31 LYS NZ :NH3+ -131:sc= 0.78 (180deg=-0.118) USER MOD Set 2.2: B 74 ASN : amide:sc= -0.153 K(o=0.74,f=-11!) USER MOD Set 2.3: B 75 SER OG : rot -130:sc= 0.109 USER MOD Single : A 22 MET CE :methyl -145:sc= -0.0614 (180deg=-1.5) USER MOD Single : A 24 LYS NZ :NH3+ 168:sc= 2.39 (180deg=1.95) USER MOD Single : A 26 ASN : amide:sc= 0.934 K(o=0.93,f=-1.7!) USER MOD Single : A 27 GLN : amide:sc= -0.128 K(o=-0.13,f=-6.5!) USER MOD Single : A 33 GLN :FLIP amide:sc= -0.578 F(o=-2.3!,f=-0.58) USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 46 HIS : no HD1:sc=-0.000484 X(o=-0.00048,f=-0.033) USER MOD Single : A 50 LYS NZ :NH3+ -141:sc= 0.899 (180deg=-1.15!) USER MOD Single : A 52 GLN : amide:sc= -0.134 K(o=-0.13,f=-0.79) USER MOD Single : A 60 LYS NZ :NH3+ 163:sc= 3.62 (180deg=2.98) USER MOD Single : A 61 LYS NZ :NH3+ -157:sc= 0.296 (180deg=0.12) USER MOD Single : A 63 LYS NZ :NH3+ -141:sc= 0.641 (180deg=-0.167) USER MOD Single : A 73 LYS NZ :NH3+ 179:sc= 1.49 (180deg=1.39) USER MOD Single : A 80 ASN : amide:sc= -0.0368 X(o=-0.037,f=0) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 LYS NZ :NH3+ 137:sc= 2.17! (180deg=-0.956) USER MOD Single : A 94 LYS NZ :NH3+ -157:sc= 1.86 (180deg=1.08) USER MOD Single : B 1 SER N :NH3+ -118:sc= 0.136 (180deg=0) USER MOD Single : B 1 SER OG : rot 180:sc= 0.0135 USER MOD Single : B 4 THR OG1 : rot 180:sc= -0.0946 USER MOD Single : B 8 ASN : amide:sc= 0.791 K(o=0.79,f=-0.056) USER MOD Single : B 9 GLN :FLIP amide:sc= -1.5 F(o=-2.9,f=-1.5) USER MOD Single : B 11 SER OG : rot 32:sc=-0.00755 USER MOD Single : B 14 SER OG : rot 180:sc= 0.0346 USER MOD Single : B 21 SER OG : rot 180:sc= 0.048 USER MOD Single : B 23 THR OG1 : rot -86:sc= 1.57 USER MOD Single : B 34 SER OG : rot 180:sc= -0.0439 USER MOD Single : B 37 SER OG : rot -64:sc= 0.74 USER MOD Single : B 39 SER OG : rot 80:sc= -1.26 USER MOD Single : B 42 TYR OH : rot 46:sc= 1.3 USER MOD Single : B 44 THR OG1 : rot 180:sc= 0 USER MOD Single : B 49 THR OG1 : rot 180:sc= 0 USER MOD Single : B 50 GLN : amide:sc= 0.584 K(o=0.58,f=-0.39) USER MOD Single : B 52 THR OG1 : rot 180:sc= 0.0233 USER MOD Single : B 54 ASN : amide:sc= 0.182 K(o=0.18,f=-1.7) USER MOD Single : B 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 60 ASN : amide:sc= 0.565 K(o=0.56,f=-8.7!) USER MOD Single : B 62 ASN : amide:sc= -0.203 K(o=-0.2,f=-1.5!) USER MOD Single : B 65 CYS SG : rot -26:sc= -31.4! USER MOD Single : B 67 ASN : amide:sc= -0.0281 K(o=-0.028,f=-0.88) USER MOD Single : B 69 ASN : amide:sc= 0.147 K(o=0.15,f=-0.41!) USER MOD Single : B 80 CYS SG : rot -88:sc= -4.04! USER MOD Single : B 81 SER OG : rot -124:sc= 0.2 USER MOD Single : B 82 HIS : no HD1:sc= 1.15 K(o=1.1,f=-5.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 17 -1.904 0.149 -14.173 1.00 7.83 N ATOM 2 CA GLY A 17 -0.886 -0.213 -15.189 1.00 6.83 C ATOM 3 C GLY A 17 0.384 0.594 -15.028 1.00 5.67 C ATOM 4 O GLY A 17 1.087 0.456 -14.029 1.00 5.32 O ATOM 0 HA2 GLY A 17 -0.654 -1.275 -15.108 1.00 6.83 H new ATOM 0 HA3 GLY A 17 -1.295 -0.051 -16.186 1.00 6.83 H new ATOM 10 N GLU A 18 0.667 1.451 -16.002 1.00 5.40 N ATOM 11 CA GLU A 18 1.865 2.282 -15.970 1.00 4.59 C ATOM 12 C GLU A 18 1.727 3.377 -14.916 1.00 4.20 C ATOM 13 O GLU A 18 2.707 3.776 -14.287 1.00 3.73 O ATOM 14 CB GLU A 18 2.138 2.898 -17.347 1.00 5.07 C ATOM 15 CG GLU A 18 2.591 1.890 -18.391 1.00 5.74 C ATOM 16 CD GLU A 18 1.468 0.990 -18.852 1.00 6.33 C ATOM 17 OE1 GLU A 18 0.574 1.475 -19.572 1.00 7.20 O ATOM 18 OE2 GLU A 18 1.464 -0.202 -18.484 1.00 6.20 O ATOM 0 H GLU A 18 0.082 1.589 -16.826 1.00 5.40 H new ATOM 0 HA GLU A 18 2.711 1.648 -15.705 1.00 4.59 H new ATOM 0 HB2 GLU A 18 1.232 3.391 -17.700 1.00 5.07 H new ATOM 0 HB3 GLU A 18 2.901 3.669 -17.245 1.00 5.07 H new ATOM 0 HG2 GLU A 18 3.002 2.421 -19.249 1.00 5.74 H new ATOM 0 HG3 GLU A 18 3.395 1.280 -17.978 1.00 5.74 H new ATOM 25 N GLU A 19 0.505 3.854 -14.723 1.00 4.76 N ATOM 26 CA GLU A 19 0.244 4.883 -13.730 1.00 4.76 C ATOM 27 C GLU A 19 0.155 4.233 -12.357 1.00 4.05 C ATOM 28 O GLU A 19 0.897 4.582 -11.438 1.00 4.07 O ATOM 29 CB GLU A 19 -1.052 5.656 -14.045 1.00 6.03 C ATOM 30 CG GLU A 19 -1.889 5.061 -15.176 1.00 6.83 C ATOM 31 CD GLU A 19 -2.659 3.819 -14.763 1.00 7.18 C ATOM 32 OE1 GLU A 19 -2.032 2.746 -14.616 1.00 7.53 O ATOM 33 OE2 GLU A 19 -3.890 3.905 -14.596 1.00 7.29 O ATOM 0 H GLU A 19 -0.318 3.545 -15.240 1.00 4.76 H new ATOM 0 HA GLU A 19 1.062 5.603 -13.747 1.00 4.76 H new ATOM 0 HB2 GLU A 19 -1.662 5.699 -13.143 1.00 6.03 H new ATOM 0 HB3 GLU A 19 -0.793 6.683 -14.304 1.00 6.03 H new ATOM 0 HG2 GLU A 19 -2.592 5.814 -15.534 1.00 6.83 H new ATOM 0 HG3 GLU A 19 -1.235 4.813 -16.012 1.00 6.83 H new ATOM 40 N PHE A 20 -0.731 3.256 -12.247 1.00 3.92 N ATOM 41 CA PHE A 20 -0.931 2.534 -11.007 1.00 3.86 C ATOM 42 C PHE A 20 -0.107 1.251 -11.004 1.00 3.32 C ATOM 43 O PHE A 20 -0.590 0.190 -11.405 1.00 3.96 O ATOM 44 CB PHE A 20 -2.416 2.200 -10.813 1.00 4.81 C ATOM 45 CG PHE A 20 -3.223 3.308 -10.187 1.00 5.61 C ATOM 46 CD1 PHE A 20 -2.837 4.635 -10.310 1.00 6.09 C ATOM 47 CD2 PHE A 20 -4.375 3.016 -9.474 1.00 6.23 C ATOM 48 CE1 PHE A 20 -3.583 5.645 -9.735 1.00 7.11 C ATOM 49 CE2 PHE A 20 -5.125 4.021 -8.896 1.00 7.17 C ATOM 50 CZ PHE A 20 -4.727 5.338 -9.025 1.00 7.59 C ATOM 0 H PHE A 20 -1.328 2.944 -13.013 1.00 3.92 H new ATOM 0 HA PHE A 20 -0.603 3.169 -10.184 1.00 3.86 H new ATOM 0 HB2 PHE A 20 -2.850 1.952 -11.782 1.00 4.81 H new ATOM 0 HB3 PHE A 20 -2.498 1.310 -10.190 1.00 4.81 H new ATOM 0 HD1 PHE A 20 -1.942 4.881 -10.862 1.00 6.09 H new ATOM 0 HD2 PHE A 20 -4.690 1.988 -9.369 1.00 6.23 H new ATOM 0 HE1 PHE A 20 -3.272 6.674 -9.840 1.00 7.11 H new ATOM 0 HE2 PHE A 20 -6.021 3.778 -8.344 1.00 7.17 H new ATOM 0 HZ PHE A 20 -5.310 6.126 -8.571 1.00 7.59 H new ATOM 60 N ARG A 21 1.145 1.358 -10.578 1.00 2.62 N ATOM 61 CA ARG A 21 2.031 0.199 -10.513 1.00 2.68 C ATOM 62 C ARG A 21 2.078 -0.340 -9.092 1.00 2.17 C ATOM 63 O ARG A 21 3.064 -0.942 -8.675 1.00 2.26 O ATOM 64 CB ARG A 21 3.447 0.562 -10.977 1.00 3.27 C ATOM 65 CG ARG A 21 3.813 0.009 -12.352 1.00 4.41 C ATOM 66 CD ARG A 21 3.742 -1.516 -12.404 1.00 5.12 C ATOM 67 NE ARG A 21 4.752 -2.155 -11.556 1.00 5.68 N ATOM 68 CZ ARG A 21 4.479 -3.116 -10.667 1.00 6.37 C ATOM 69 NH1 ARG A 21 3.234 -3.554 -10.517 1.00 6.55 N ATOM 70 NH2 ARG A 21 5.455 -3.646 -9.934 1.00 7.09 N ATOM 0 H ARG A 21 1.571 2.233 -10.272 1.00 2.62 H new ATOM 0 HA ARG A 21 1.637 -0.568 -11.180 1.00 2.68 H new ATOM 0 HB2 ARG A 21 3.544 1.647 -10.996 1.00 3.27 H new ATOM 0 HB3 ARG A 21 4.164 0.190 -10.245 1.00 3.27 H new ATOM 0 HG2 ARG A 21 3.139 0.427 -13.100 1.00 4.41 H new ATOM 0 HG3 ARG A 21 4.820 0.332 -12.614 1.00 4.41 H new ATOM 0 HD2 ARG A 21 2.750 -1.841 -12.090 1.00 5.12 H new ATOM 0 HD3 ARG A 21 3.875 -1.848 -13.434 1.00 5.12 H new ATOM 0 HE ARG A 21 5.720 -1.849 -11.649 1.00 5.68 H new ATOM 0 HH11 ARG A 21 2.482 -3.157 -11.081 1.00 6.55 H new ATOM 0 HH12 ARG A 21 3.030 -4.287 -9.838 1.00 6.55 H new ATOM 0 HH21 ARG A 21 6.414 -3.319 -10.049 1.00 7.09 H new ATOM 0 HH22 ARG A 21 5.244 -4.379 -9.257 1.00 7.09 H new ATOM 84 N MET A 22 1.008 -0.110 -8.346 1.00 2.11 N ATOM 85 CA MET A 22 0.930 -0.569 -6.970 1.00 1.99 C ATOM 86 C MET A 22 -0.412 -1.235 -6.703 1.00 1.97 C ATOM 87 O MET A 22 -1.469 -0.626 -6.894 1.00 2.09 O ATOM 88 CB MET A 22 1.153 0.588 -6.002 1.00 2.34 C ATOM 89 CG MET A 22 2.320 0.349 -5.061 1.00 2.60 C ATOM 90 SD MET A 22 2.191 -1.232 -4.204 1.00 3.32 S ATOM 91 CE MET A 22 3.918 -1.557 -3.852 1.00 3.36 C ATOM 0 H MET A 22 0.182 0.392 -8.672 1.00 2.11 H new ATOM 0 HA MET A 22 1.718 -1.305 -6.812 1.00 1.99 H new ATOM 0 HB2 MET A 22 1.330 1.502 -6.569 1.00 2.34 H new ATOM 0 HB3 MET A 22 0.247 0.747 -5.417 1.00 2.34 H new ATOM 0 HG2 MET A 22 3.252 0.379 -5.626 1.00 2.60 H new ATOM 0 HG3 MET A 22 2.365 1.155 -4.328 1.00 2.60 H new ATOM 0 HE1 MET A 22 4.108 -2.628 -3.919 1.00 3.36 H new ATOM 0 HE2 MET A 22 4.542 -1.032 -4.576 1.00 3.36 H new ATOM 0 HE3 MET A 22 4.156 -1.208 -2.847 1.00 3.36 H new ATOM 101 N GLU A 23 -0.362 -2.474 -6.232 1.00 1.87 N ATOM 102 CA GLU A 23 -1.567 -3.256 -5.966 1.00 1.91 C ATOM 103 C GLU A 23 -2.422 -2.653 -4.854 1.00 1.83 C ATOM 104 O GLU A 23 -3.625 -2.902 -4.791 1.00 1.84 O ATOM 105 CB GLU A 23 -1.206 -4.701 -5.608 1.00 2.00 C ATOM 106 CG GLU A 23 -0.306 -5.392 -6.628 1.00 2.01 C ATOM 107 CD GLU A 23 -0.528 -4.905 -8.047 1.00 1.62 C ATOM 108 OE1 GLU A 23 -1.695 -4.888 -8.489 1.00 1.54 O ATOM 109 OE2 GLU A 23 0.461 -4.551 -8.727 1.00 1.93 O ATOM 0 H GLU A 23 0.508 -2.965 -6.024 1.00 1.87 H new ATOM 0 HA GLU A 23 -2.156 -3.241 -6.883 1.00 1.91 H new ATOM 0 HB2 GLU A 23 -0.710 -4.710 -4.638 1.00 2.00 H new ATOM 0 HB3 GLU A 23 -2.125 -5.277 -5.502 1.00 2.00 H new ATOM 0 HG2 GLU A 23 0.736 -5.228 -6.353 1.00 2.01 H new ATOM 0 HG3 GLU A 23 -0.481 -6.467 -6.588 1.00 2.01 H new ATOM 116 N LYS A 24 -1.805 -1.861 -3.982 1.00 1.79 N ATOM 117 CA LYS A 24 -2.538 -1.236 -2.881 1.00 1.74 C ATOM 118 C LYS A 24 -3.678 -0.367 -3.419 1.00 1.67 C ATOM 119 O LYS A 24 -4.821 -0.468 -2.966 1.00 1.66 O ATOM 120 CB LYS A 24 -1.590 -0.413 -1.988 1.00 1.75 C ATOM 121 CG LYS A 24 -0.606 0.468 -2.754 1.00 1.80 C ATOM 122 CD LYS A 24 0.342 1.220 -1.820 1.00 1.91 C ATOM 123 CE LYS A 24 1.394 0.301 -1.207 1.00 2.39 C ATOM 124 NZ LYS A 24 2.620 1.041 -0.792 1.00 2.65 N ATOM 0 H LYS A 24 -0.810 -1.637 -4.013 1.00 1.79 H new ATOM 0 HA LYS A 24 -2.973 -2.025 -2.268 1.00 1.74 H new ATOM 0 HB2 LYS A 24 -2.187 0.218 -1.330 1.00 1.75 H new ATOM 0 HB3 LYS A 24 -1.028 -1.095 -1.351 1.00 1.75 H new ATOM 0 HG2 LYS A 24 -0.025 -0.150 -3.439 1.00 1.80 H new ATOM 0 HG3 LYS A 24 -1.159 1.184 -3.362 1.00 1.80 H new ATOM 0 HD2 LYS A 24 0.837 2.018 -2.373 1.00 1.91 H new ATOM 0 HD3 LYS A 24 -0.234 1.693 -1.024 1.00 1.91 H new ATOM 0 HE2 LYS A 24 0.969 -0.207 -0.342 1.00 2.39 H new ATOM 0 HE3 LYS A 24 1.665 -0.470 -1.929 1.00 2.39 H new ATOM 0 HZ1 LYS A 24 3.216 0.424 -0.204 1.00 2.65 H new ATOM 0 HZ2 LYS A 24 3.152 1.333 -1.637 1.00 2.65 H new ATOM 0 HZ3 LYS A 24 2.349 1.883 -0.246 1.00 2.65 H new ATOM 138 N LEU A 25 -3.370 0.446 -4.420 1.00 1.64 N ATOM 139 CA LEU A 25 -4.365 1.325 -5.020 1.00 1.58 C ATOM 140 C LEU A 25 -5.298 0.542 -5.936 1.00 1.50 C ATOM 141 O LEU A 25 -6.494 0.819 -5.999 1.00 1.44 O ATOM 142 CB LEU A 25 -3.675 2.433 -5.810 1.00 1.65 C ATOM 143 CG LEU A 25 -2.717 3.300 -4.999 1.00 1.74 C ATOM 144 CD1 LEU A 25 -1.629 3.864 -5.894 1.00 1.92 C ATOM 145 CD2 LEU A 25 -3.476 4.419 -4.299 1.00 1.70 C ATOM 0 H LEU A 25 -2.440 0.515 -4.834 1.00 1.64 H new ATOM 0 HA LEU A 25 -4.957 1.768 -4.219 1.00 1.58 H new ATOM 0 HB2 LEU A 25 -3.124 1.982 -6.635 1.00 1.65 H new ATOM 0 HB3 LEU A 25 -4.438 3.075 -6.250 1.00 1.65 H new ATOM 0 HG LEU A 25 -2.245 2.680 -4.237 1.00 1.74 H new ATOM 0 HD11 LEU A 25 -0.953 4.480 -5.301 1.00 1.92 H new ATOM 0 HD12 LEU A 25 -1.070 3.045 -6.347 1.00 1.92 H new ATOM 0 HD13 LEU A 25 -2.081 4.472 -6.678 1.00 1.92 H new ATOM 0 HD21 LEU A 25 -2.778 5.028 -3.725 1.00 1.70 H new ATOM 0 HD22 LEU A 25 -3.974 5.041 -5.042 1.00 1.70 H new ATOM 0 HD23 LEU A 25 -4.220 3.990 -3.628 1.00 1.70 H new ATOM 157 N ASN A 26 -4.737 -0.444 -6.632 1.00 1.50 N ATOM 158 CA ASN A 26 -5.501 -1.273 -7.565 1.00 1.45 C ATOM 159 C ASN A 26 -6.670 -1.971 -6.884 1.00 1.43 C ATOM 160 O ASN A 26 -7.808 -1.878 -7.342 1.00 1.37 O ATOM 161 CB ASN A 26 -4.599 -2.330 -8.213 1.00 1.54 C ATOM 162 CG ASN A 26 -3.701 -1.755 -9.293 1.00 1.55 C ATOM 163 OD1 ASN A 26 -4.030 -0.753 -9.923 1.00 1.68 O ATOM 164 ND2 ASN A 26 -2.566 -2.396 -9.526 1.00 2.11 N ATOM 0 H ASN A 26 -3.749 -0.691 -6.568 1.00 1.50 H new ATOM 0 HA ASN A 26 -5.896 -0.603 -8.329 1.00 1.45 H new ATOM 0 HB2 ASN A 26 -3.982 -2.796 -7.444 1.00 1.54 H new ATOM 0 HB3 ASN A 26 -5.219 -3.116 -8.643 1.00 1.54 H new ATOM 0 HD21 ASN A 26 -1.930 -2.061 -10.250 1.00 2.11 H new ATOM 0 HD22 ASN A 26 -2.327 -3.225 -8.982 1.00 2.11 H new ATOM 171 N GLN A 27 -6.386 -2.651 -5.777 1.00 1.51 N ATOM 172 CA GLN A 27 -7.414 -3.394 -5.048 1.00 1.54 C ATOM 173 C GLN A 27 -8.456 -2.472 -4.421 1.00 1.50 C ATOM 174 O GLN A 27 -9.627 -2.835 -4.317 1.00 1.52 O ATOM 175 CB GLN A 27 -6.777 -4.274 -3.975 1.00 1.64 C ATOM 176 CG GLN A 27 -5.806 -5.300 -4.535 1.00 1.83 C ATOM 177 CD GLN A 27 -5.751 -6.561 -3.701 1.00 2.11 C ATOM 178 OE1 GLN A 27 -6.444 -7.541 -3.986 1.00 2.55 O ATOM 179 NE2 GLN A 27 -4.936 -6.545 -2.661 1.00 2.26 N ATOM 0 H GLN A 27 -5.455 -2.704 -5.364 1.00 1.51 H new ATOM 0 HA GLN A 27 -7.929 -4.025 -5.773 1.00 1.54 H new ATOM 0 HB2 GLN A 27 -6.252 -3.640 -3.260 1.00 1.64 H new ATOM 0 HB3 GLN A 27 -7.564 -4.791 -3.425 1.00 1.64 H new ATOM 0 HG2 GLN A 27 -6.099 -5.554 -5.554 1.00 1.83 H new ATOM 0 HG3 GLN A 27 -4.810 -4.861 -4.590 1.00 1.83 H new ATOM 0 HE21 GLN A 27 -4.380 -5.713 -2.461 1.00 2.26 H new ATOM 0 HE22 GLN A 27 -4.862 -7.364 -2.058 1.00 2.26 H new ATOM 188 N LEU A 28 -8.041 -1.286 -3.991 1.00 1.46 N ATOM 189 CA LEU A 28 -8.982 -0.344 -3.391 1.00 1.44 C ATOM 190 C LEU A 28 -9.893 0.265 -4.458 1.00 1.38 C ATOM 191 O LEU A 28 -11.096 0.442 -4.240 1.00 1.42 O ATOM 192 CB LEU A 28 -8.240 0.761 -2.638 1.00 1.42 C ATOM 193 CG LEU A 28 -9.129 1.684 -1.797 1.00 1.64 C ATOM 194 CD1 LEU A 28 -9.943 0.882 -0.792 1.00 2.12 C ATOM 195 CD2 LEU A 28 -8.289 2.725 -1.079 1.00 1.55 C ATOM 0 H LEU A 28 -7.077 -0.956 -4.044 1.00 1.46 H new ATOM 0 HA LEU A 28 -9.599 -0.893 -2.680 1.00 1.44 H new ATOM 0 HB2 LEU A 28 -7.500 0.300 -1.984 1.00 1.42 H new ATOM 0 HB3 LEU A 28 -7.693 1.368 -3.360 1.00 1.42 H new ATOM 0 HG LEU A 28 -9.818 2.195 -2.470 1.00 1.64 H new ATOM 0 HD11 LEU A 28 -10.566 1.558 -0.206 1.00 2.12 H new ATOM 0 HD12 LEU A 28 -10.577 0.171 -1.322 1.00 2.12 H new ATOM 0 HD13 LEU A 28 -9.270 0.342 -0.127 1.00 2.12 H new ATOM 0 HD21 LEU A 28 -8.938 3.371 -0.487 1.00 1.55 H new ATOM 0 HD22 LEU A 28 -7.576 2.227 -0.422 1.00 1.55 H new ATOM 0 HD23 LEU A 28 -7.750 3.326 -1.811 1.00 1.55 H new ATOM 207 N TRP A 29 -9.311 0.564 -5.613 1.00 1.31 N ATOM 208 CA TRP A 29 -10.045 1.150 -6.728 1.00 1.26 C ATOM 209 C TRP A 29 -11.156 0.216 -7.211 1.00 1.32 C ATOM 210 O TRP A 29 -12.298 0.636 -7.421 1.00 1.32 O ATOM 211 CB TRP A 29 -9.076 1.462 -7.876 1.00 1.22 C ATOM 212 CG TRP A 29 -9.736 2.030 -9.094 1.00 1.18 C ATOM 213 CD1 TRP A 29 -9.651 1.548 -10.368 1.00 1.21 C ATOM 214 CD2 TRP A 29 -10.578 3.187 -9.158 1.00 1.15 C ATOM 215 NE1 TRP A 29 -10.390 2.332 -11.219 1.00 1.19 N ATOM 216 CE2 TRP A 29 -10.967 3.346 -10.501 1.00 1.16 C ATOM 217 CE3 TRP A 29 -11.035 4.106 -8.210 1.00 1.16 C ATOM 218 CZ2 TRP A 29 -11.799 4.380 -10.916 1.00 1.17 C ATOM 219 CZ3 TRP A 29 -11.859 5.132 -8.626 1.00 1.18 C ATOM 220 CH2 TRP A 29 -12.230 5.264 -9.968 1.00 1.19 C ATOM 0 H TRP A 29 -8.321 0.408 -5.803 1.00 1.31 H new ATOM 0 HA TRP A 29 -10.512 2.074 -6.386 1.00 1.26 H new ATOM 0 HB2 TRP A 29 -8.324 2.167 -7.521 1.00 1.22 H new ATOM 0 HB3 TRP A 29 -8.551 0.548 -8.153 1.00 1.22 H new ATOM 0 HD1 TRP A 29 -9.085 0.677 -10.664 1.00 1.21 H new ATOM 0 HE1 TRP A 29 -10.493 2.184 -12.223 1.00 1.19 H new ATOM 0 HE3 TRP A 29 -10.749 4.015 -7.172 1.00 1.16 H new ATOM 0 HZ2 TRP A 29 -12.094 4.480 -11.950 1.00 1.17 H new ATOM 0 HZ3 TRP A 29 -12.224 5.846 -7.902 1.00 1.18 H new ATOM 0 HH2 TRP A 29 -12.871 6.082 -10.261 1.00 1.19 H new ATOM 231 N GLU A 30 -10.825 -1.054 -7.377 1.00 1.38 N ATOM 232 CA GLU A 30 -11.799 -2.029 -7.841 1.00 1.44 C ATOM 233 C GLU A 30 -12.826 -2.346 -6.762 1.00 1.45 C ATOM 234 O GLU A 30 -13.973 -2.656 -7.077 1.00 1.45 O ATOM 235 CB GLU A 30 -11.111 -3.304 -8.304 1.00 1.50 C ATOM 236 CG GLU A 30 -10.186 -3.901 -7.268 1.00 1.42 C ATOM 237 CD GLU A 30 -9.941 -5.369 -7.496 1.00 1.19 C ATOM 238 OE1 GLU A 30 -9.783 -5.778 -8.667 1.00 1.66 O ATOM 239 OE2 GLU A 30 -9.893 -6.123 -6.508 1.00 0.94 O ATOM 0 H GLU A 30 -9.895 -1.433 -7.199 1.00 1.38 H new ATOM 0 HA GLU A 30 -12.324 -1.588 -8.689 1.00 1.44 H new ATOM 0 HB2 GLU A 30 -11.869 -4.040 -8.570 1.00 1.50 H new ATOM 0 HB3 GLU A 30 -10.541 -3.092 -9.209 1.00 1.50 H new ATOM 0 HG2 GLU A 30 -9.234 -3.370 -7.285 1.00 1.42 H new ATOM 0 HG3 GLU A 30 -10.614 -3.757 -6.276 1.00 1.42 H new ATOM 246 N LYS A 31 -12.421 -2.262 -5.494 1.00 1.45 N ATOM 247 CA LYS A 31 -13.330 -2.536 -4.387 1.00 1.47 C ATOM 248 C LYS A 31 -14.537 -1.609 -4.461 1.00 1.43 C ATOM 249 O LYS A 31 -15.678 -2.044 -4.307 1.00 1.44 O ATOM 250 CB LYS A 31 -12.628 -2.367 -3.034 1.00 1.50 C ATOM 251 CG LYS A 31 -13.537 -2.644 -1.844 1.00 1.59 C ATOM 252 CD LYS A 31 -12.799 -2.510 -0.520 1.00 1.58 C ATOM 253 CE LYS A 31 -13.717 -2.799 0.662 1.00 1.52 C ATOM 254 NZ LYS A 31 -14.181 -4.215 0.684 1.00 1.99 N ATOM 0 H LYS A 31 -11.474 -2.008 -5.212 1.00 1.45 H new ATOM 0 HA LYS A 31 -13.660 -3.571 -4.472 1.00 1.47 H new ATOM 0 HB2 LYS A 31 -11.771 -3.039 -2.991 1.00 1.50 H new ATOM 0 HB3 LYS A 31 -12.241 -1.351 -2.958 1.00 1.50 H new ATOM 0 HG2 LYS A 31 -14.379 -1.952 -1.862 1.00 1.59 H new ATOM 0 HG3 LYS A 31 -13.950 -3.649 -1.929 1.00 1.59 H new ATOM 0 HD2 LYS A 31 -11.953 -3.198 -0.502 1.00 1.58 H new ATOM 0 HD3 LYS A 31 -12.393 -1.503 -0.429 1.00 1.58 H new ATOM 0 HE2 LYS A 31 -13.191 -2.577 1.591 1.00 1.52 H new ATOM 0 HE3 LYS A 31 -14.581 -2.136 0.619 1.00 1.52 H new ATOM 0 HZ1 LYS A 31 -15.213 -4.240 0.814 1.00 1.99 H new ATOM 0 HZ2 LYS A 31 -13.934 -4.675 -0.215 1.00 1.99 H new ATOM 0 HZ3 LYS A 31 -13.721 -4.719 1.469 1.00 1.99 H new ATOM 268 N ALA A 32 -14.273 -0.336 -4.723 1.00 1.42 N ATOM 269 CA ALA A 32 -15.328 0.659 -4.832 1.00 1.40 C ATOM 270 C ALA A 32 -16.259 0.324 -5.993 1.00 1.39 C ATOM 271 O ALA A 32 -17.479 0.450 -5.885 1.00 1.41 O ATOM 272 CB ALA A 32 -14.719 2.040 -5.008 1.00 1.38 C ATOM 0 H ALA A 32 -13.332 0.032 -4.864 1.00 1.42 H new ATOM 0 HA ALA A 32 -15.918 0.653 -3.915 1.00 1.40 H new ATOM 0 HB1 ALA A 32 -15.514 2.781 -5.089 1.00 1.38 H new ATOM 0 HB2 ALA A 32 -14.092 2.274 -4.148 1.00 1.38 H new ATOM 0 HB3 ALA A 32 -14.113 2.058 -5.914 1.00 1.38 H new ATOM 278 N GLN A 33 -15.672 -0.129 -7.096 1.00 1.37 N ATOM 279 CA GLN A 33 -16.441 -0.495 -8.279 1.00 1.37 C ATOM 280 C GLN A 33 -17.288 -1.738 -8.013 1.00 1.39 C ATOM 281 O GLN A 33 -18.420 -1.838 -8.480 1.00 1.34 O ATOM 282 CB GLN A 33 -15.507 -0.744 -9.464 1.00 1.37 C ATOM 283 CG GLN A 33 -14.763 0.501 -9.920 1.00 1.42 C ATOM 284 CD GLN A 33 -13.673 0.195 -10.928 1.00 1.43 C ATOM 285 OE1 GLN A 33 -12.478 -0.075 -10.434 1.00 1.53 O flip ATOM 286 NE2 GLN A 33 -13.903 0.214 -12.140 1.00 1.48 N flip ATOM 0 H GLN A 33 -14.664 -0.251 -7.195 1.00 1.37 H new ATOM 0 HA GLN A 33 -17.107 0.333 -8.520 1.00 1.37 H new ATOM 0 HB2 GLN A 33 -14.783 -1.511 -9.191 1.00 1.37 H new ATOM 0 HB3 GLN A 33 -16.088 -1.137 -10.298 1.00 1.37 H new ATOM 0 HG2 GLN A 33 -15.472 1.202 -10.360 1.00 1.42 H new ATOM 0 HG3 GLN A 33 -14.323 0.994 -9.053 1.00 1.42 H new ATOM 0 HE21 GLN A 33 -14.841 0.428 -12.478 1.00 1.48 H new ATOM 0 HE22 GLN A 33 -13.155 0.016 -12.804 1.00 1.48 H new ATOM 295 N ARG A 34 -16.736 -2.674 -7.247 1.00 1.47 N ATOM 296 CA ARG A 34 -17.438 -3.910 -6.913 1.00 1.51 C ATOM 297 C ARG A 34 -18.612 -3.632 -5.979 1.00 1.51 C ATOM 298 O ARG A 34 -19.556 -4.418 -5.897 1.00 1.50 O ATOM 299 CB ARG A 34 -16.480 -4.913 -6.270 1.00 1.65 C ATOM 300 CG ARG A 34 -15.446 -5.470 -7.237 1.00 1.97 C ATOM 301 CD ARG A 34 -15.529 -6.984 -7.327 1.00 2.52 C ATOM 302 NE ARG A 34 -16.862 -7.439 -7.723 1.00 3.51 N ATOM 303 CZ ARG A 34 -17.417 -8.579 -7.306 1.00 4.45 C ATOM 304 NH1 ARG A 34 -16.738 -9.396 -6.512 1.00 4.68 N ATOM 305 NH2 ARG A 34 -18.641 -8.904 -7.698 1.00 5.50 N ATOM 0 H ARG A 34 -15.802 -2.600 -6.844 1.00 1.47 H new ATOM 0 HA ARG A 34 -17.826 -4.338 -7.837 1.00 1.51 H new ATOM 0 HB2 ARG A 34 -15.966 -4.431 -5.439 1.00 1.65 H new ATOM 0 HB3 ARG A 34 -17.057 -5.738 -5.852 1.00 1.65 H new ATOM 0 HG2 ARG A 34 -15.599 -5.036 -8.225 1.00 1.97 H new ATOM 0 HG3 ARG A 34 -14.447 -5.178 -6.912 1.00 1.97 H new ATOM 0 HD2 ARG A 34 -14.794 -7.345 -8.047 1.00 2.52 H new ATOM 0 HD3 ARG A 34 -15.270 -7.419 -6.362 1.00 2.52 H new ATOM 0 HE ARG A 34 -17.400 -6.849 -8.357 1.00 3.51 H new ATOM 0 HH11 ARG A 34 -15.791 -9.153 -6.220 1.00 4.68 H new ATOM 0 HH12 ARG A 34 -17.162 -10.267 -6.193 1.00 4.68 H new ATOM 0 HH21 ARG A 34 -19.160 -8.283 -8.319 1.00 5.50 H new ATOM 0 HH22 ARG A 34 -19.064 -9.775 -7.379 1.00 5.50 H new ATOM 319 N LEU A 35 -18.541 -2.516 -5.266 1.00 1.53 N ATOM 320 CA LEU A 35 -19.611 -2.126 -4.355 1.00 1.55 C ATOM 321 C LEU A 35 -20.665 -1.325 -5.112 1.00 1.50 C ATOM 322 O LEU A 35 -21.728 -1.012 -4.575 1.00 1.51 O ATOM 323 CB LEU A 35 -19.060 -1.314 -3.178 1.00 1.61 C ATOM 324 CG LEU A 35 -18.009 -2.036 -2.328 1.00 1.55 C ATOM 325 CD1 LEU A 35 -17.549 -1.152 -1.180 1.00 1.66 C ATOM 326 CD2 LEU A 35 -18.552 -3.359 -1.801 1.00 1.42 C ATOM 0 H LEU A 35 -17.756 -1.866 -5.300 1.00 1.53 H new ATOM 0 HA LEU A 35 -20.071 -3.028 -3.951 1.00 1.55 H new ATOM 0 HB2 LEU A 35 -18.623 -0.393 -3.564 1.00 1.61 H new ATOM 0 HB3 LEU A 35 -19.891 -1.026 -2.534 1.00 1.61 H new ATOM 0 HG LEU A 35 -17.149 -2.251 -2.963 1.00 1.55 H new ATOM 0 HD11 LEU A 35 -16.803 -1.683 -0.588 1.00 1.66 H new ATOM 0 HD12 LEU A 35 -17.112 -0.236 -1.578 1.00 1.66 H new ATOM 0 HD13 LEU A 35 -18.402 -0.902 -0.549 1.00 1.66 H new ATOM 0 HD21 LEU A 35 -17.788 -3.853 -1.201 1.00 1.42 H new ATOM 0 HD22 LEU A 35 -19.432 -3.172 -1.186 1.00 1.42 H new ATOM 0 HD23 LEU A 35 -18.825 -4.000 -2.639 1.00 1.42 H new ATOM 338 N HIS A 36 -20.344 -1.019 -6.370 1.00 1.45 N ATOM 339 CA HIS A 36 -21.220 -0.274 -7.279 1.00 1.41 C ATOM 340 C HIS A 36 -21.341 1.197 -6.884 1.00 1.38 C ATOM 341 O HIS A 36 -21.996 1.544 -5.900 1.00 1.40 O ATOM 342 CB HIS A 36 -22.609 -0.922 -7.376 1.00 1.44 C ATOM 343 CG HIS A 36 -22.607 -2.233 -8.105 1.00 1.60 C ATOM 344 ND1 HIS A 36 -22.798 -2.337 -9.467 1.00 1.61 N ATOM 345 CD2 HIS A 36 -22.437 -3.499 -7.656 1.00 1.89 C ATOM 346 CE1 HIS A 36 -22.744 -3.608 -9.821 1.00 1.85 C ATOM 347 NE2 HIS A 36 -22.522 -4.334 -8.742 1.00 2.00 N ATOM 0 H HIS A 36 -19.455 -1.285 -6.793 1.00 1.45 H new ATOM 0 HA HIS A 36 -20.754 -0.313 -8.264 1.00 1.41 H new ATOM 0 HB2 HIS A 36 -23.001 -1.075 -6.371 1.00 1.44 H new ATOM 0 HB3 HIS A 36 -23.287 -0.235 -7.882 1.00 1.44 H new ATOM 0 HD2 HIS A 36 -22.266 -3.797 -6.632 1.00 1.89 H new ATOM 0 HE1 HIS A 36 -22.862 -3.989 -10.825 1.00 1.85 H new ATOM 0 HE2 HIS A 36 -22.429 -5.349 -8.719 1.00 2.00 H new ATOM 356 N LEU A 37 -20.693 2.051 -7.668 1.00 1.41 N ATOM 357 CA LEU A 37 -20.716 3.491 -7.444 1.00 1.43 C ATOM 358 C LEU A 37 -20.780 4.223 -8.783 1.00 1.41 C ATOM 359 O LEU A 37 -20.240 3.743 -9.783 1.00 1.35 O ATOM 360 CB LEU A 37 -19.477 3.939 -6.661 1.00 1.41 C ATOM 361 CG LEU A 37 -19.518 3.664 -5.155 1.00 1.50 C ATOM 362 CD1 LEU A 37 -18.156 3.918 -4.531 1.00 1.49 C ATOM 363 CD2 LEU A 37 -20.577 4.529 -4.480 1.00 1.71 C ATOM 0 H LEU A 37 -20.138 1.765 -8.475 1.00 1.41 H new ATOM 0 HA LEU A 37 -21.601 3.736 -6.856 1.00 1.43 H new ATOM 0 HB2 LEU A 37 -18.603 3.441 -7.081 1.00 1.41 H new ATOM 0 HB3 LEU A 37 -19.338 5.009 -6.814 1.00 1.41 H new ATOM 0 HG LEU A 37 -19.780 2.617 -5.006 1.00 1.50 H new ATOM 0 HD11 LEU A 37 -18.203 3.718 -3.461 1.00 1.49 H new ATOM 0 HD12 LEU A 37 -17.417 3.262 -4.991 1.00 1.49 H new ATOM 0 HD13 LEU A 37 -17.869 4.957 -4.693 1.00 1.49 H new ATOM 0 HD21 LEU A 37 -20.591 4.319 -3.410 1.00 1.71 H new ATOM 0 HD22 LEU A 37 -20.343 5.582 -4.640 1.00 1.71 H new ATOM 0 HD23 LEU A 37 -21.555 4.306 -4.906 1.00 1.71 H new ATOM 375 N PRO A 38 -21.458 5.379 -8.827 1.00 1.53 N ATOM 376 CA PRO A 38 -21.586 6.172 -10.056 1.00 1.59 C ATOM 377 C PRO A 38 -20.262 6.812 -10.485 1.00 1.49 C ATOM 378 O PRO A 38 -19.376 7.050 -9.659 1.00 1.41 O ATOM 379 CB PRO A 38 -22.603 7.249 -9.679 1.00 1.77 C ATOM 380 CG PRO A 38 -22.498 7.373 -8.200 1.00 1.77 C ATOM 381 CD PRO A 38 -22.161 6.000 -7.690 1.00 1.67 C ATOM 0 HA PRO A 38 -21.888 5.557 -10.904 1.00 1.59 H new ATOM 0 HB2 PRO A 38 -22.378 8.195 -10.172 1.00 1.77 H new ATOM 0 HB3 PRO A 38 -23.611 6.964 -9.981 1.00 1.77 H new ATOM 0 HG2 PRO A 38 -21.727 8.092 -7.923 1.00 1.77 H new ATOM 0 HG3 PRO A 38 -23.435 7.729 -7.771 1.00 1.77 H new ATOM 0 HD2 PRO A 38 -21.530 6.044 -6.802 1.00 1.67 H new ATOM 0 HD3 PRO A 38 -23.056 5.441 -7.417 1.00 1.67 H new ATOM 389 N PRO A 39 -20.118 7.106 -11.794 1.00 1.54 N ATOM 390 CA PRO A 39 -18.906 7.715 -12.359 1.00 1.52 C ATOM 391 C PRO A 39 -18.497 9.004 -11.650 1.00 1.51 C ATOM 392 O PRO A 39 -17.312 9.254 -11.454 1.00 1.44 O ATOM 393 CB PRO A 39 -19.274 8.006 -13.822 1.00 1.68 C ATOM 394 CG PRO A 39 -20.753 7.837 -13.906 1.00 1.76 C ATOM 395 CD PRO A 39 -21.123 6.850 -12.835 1.00 1.65 C ATOM 0 HA PRO A 39 -18.050 7.050 -12.248 1.00 1.52 H new ATOM 0 HB2 PRO A 39 -18.978 9.016 -14.107 1.00 1.68 H new ATOM 0 HB3 PRO A 39 -18.762 7.321 -14.498 1.00 1.68 H new ATOM 0 HG2 PRO A 39 -21.263 8.788 -13.752 1.00 1.76 H new ATOM 0 HG3 PRO A 39 -21.048 7.473 -14.890 1.00 1.76 H new ATOM 0 HD2 PRO A 39 -22.136 7.013 -12.468 1.00 1.65 H new ATOM 0 HD3 PRO A 39 -21.077 5.823 -13.198 1.00 1.65 H new ATOM 403 N VAL A 40 -19.480 9.813 -11.260 1.00 1.62 N ATOM 404 CA VAL A 40 -19.202 11.070 -10.568 1.00 1.66 C ATOM 405 C VAL A 40 -18.447 10.818 -9.257 1.00 1.53 C ATOM 406 O VAL A 40 -17.609 11.621 -8.840 1.00 1.49 O ATOM 407 CB VAL A 40 -20.504 11.861 -10.288 1.00 1.84 C ATOM 408 CG1 VAL A 40 -21.385 11.144 -9.278 1.00 1.85 C ATOM 409 CG2 VAL A 40 -20.191 13.274 -9.818 1.00 1.93 C ATOM 0 H VAL A 40 -20.471 9.622 -11.410 1.00 1.62 H new ATOM 0 HA VAL A 40 -18.573 11.670 -11.225 1.00 1.66 H new ATOM 0 HB VAL A 40 -21.056 11.925 -11.226 1.00 1.84 H new ATOM 0 HG11 VAL A 40 -22.290 11.727 -9.105 1.00 1.85 H new ATOM 0 HG12 VAL A 40 -21.655 10.161 -9.664 1.00 1.85 H new ATOM 0 HG13 VAL A 40 -20.843 11.029 -8.339 1.00 1.85 H new ATOM 0 HG21 VAL A 40 -21.122 13.809 -9.628 1.00 1.93 H new ATOM 0 HG22 VAL A 40 -19.604 13.231 -8.901 1.00 1.93 H new ATOM 0 HG23 VAL A 40 -19.623 13.796 -10.588 1.00 1.93 H new ATOM 419 N ARG A 41 -18.731 9.687 -8.624 1.00 1.48 N ATOM 420 CA ARG A 41 -18.078 9.324 -7.375 1.00 1.41 C ATOM 421 C ARG A 41 -16.721 8.710 -7.661 1.00 1.25 C ATOM 422 O ARG A 41 -15.743 8.987 -6.969 1.00 1.18 O ATOM 423 CB ARG A 41 -18.944 8.342 -6.584 1.00 1.51 C ATOM 424 CG ARG A 41 -20.209 8.968 -6.029 1.00 1.92 C ATOM 425 CD ARG A 41 -19.933 9.771 -4.768 1.00 2.01 C ATOM 426 NE ARG A 41 -20.603 9.196 -3.605 1.00 1.83 N ATOM 427 CZ ARG A 41 -20.353 9.560 -2.352 1.00 2.08 C ATOM 428 NH1 ARG A 41 -19.471 10.518 -2.095 1.00 2.80 N ATOM 429 NH2 ARG A 41 -21.000 8.983 -1.351 1.00 2.08 N ATOM 0 H ARG A 41 -19.411 9.004 -8.957 1.00 1.48 H new ATOM 0 HA ARG A 41 -17.942 10.225 -6.777 1.00 1.41 H new ATOM 0 HB2 ARG A 41 -19.214 7.506 -7.229 1.00 1.51 H new ATOM 0 HB3 ARG A 41 -18.358 7.934 -5.761 1.00 1.51 H new ATOM 0 HG2 ARG A 41 -20.655 9.617 -6.783 1.00 1.92 H new ATOM 0 HG3 ARG A 41 -20.936 8.186 -5.811 1.00 1.92 H new ATOM 0 HD2 ARG A 41 -18.859 9.808 -4.588 1.00 2.01 H new ATOM 0 HD3 ARG A 41 -20.268 10.798 -4.910 1.00 2.01 H new ATOM 0 HE ARG A 41 -21.304 8.472 -3.764 1.00 1.83 H new ATOM 0 HH11 ARG A 41 -18.981 10.979 -2.862 1.00 2.80 H new ATOM 0 HH12 ARG A 41 -19.283 10.793 -1.131 1.00 2.80 H new ATOM 0 HH21 ARG A 41 -21.692 8.258 -1.541 1.00 2.08 H new ATOM 0 HH22 ARG A 41 -20.807 9.264 -0.390 1.00 2.08 H new ATOM 443 N LEU A 42 -16.671 7.891 -8.704 1.00 1.22 N ATOM 444 CA LEU A 42 -15.439 7.230 -9.103 1.00 1.13 C ATOM 445 C LEU A 42 -14.400 8.254 -9.545 1.00 1.12 C ATOM 446 O LEU A 42 -13.209 8.090 -9.289 1.00 1.07 O ATOM 447 CB LEU A 42 -15.713 6.233 -10.234 1.00 1.19 C ATOM 448 CG LEU A 42 -16.593 5.038 -9.856 1.00 1.25 C ATOM 449 CD1 LEU A 42 -16.848 4.161 -11.073 1.00 1.33 C ATOM 450 CD2 LEU A 42 -15.949 4.232 -8.736 1.00 1.23 C ATOM 0 H LEU A 42 -17.475 7.669 -9.291 1.00 1.22 H new ATOM 0 HA LEU A 42 -15.046 6.687 -8.243 1.00 1.13 H new ATOM 0 HB2 LEU A 42 -16.187 6.766 -11.058 1.00 1.19 H new ATOM 0 HB3 LEU A 42 -14.759 5.858 -10.604 1.00 1.19 H new ATOM 0 HG LEU A 42 -17.551 5.414 -9.497 1.00 1.25 H new ATOM 0 HD11 LEU A 42 -17.475 3.316 -10.788 1.00 1.33 H new ATOM 0 HD12 LEU A 42 -17.354 4.744 -11.842 1.00 1.33 H new ATOM 0 HD13 LEU A 42 -15.898 3.793 -11.462 1.00 1.33 H new ATOM 0 HD21 LEU A 42 -16.589 3.387 -8.481 1.00 1.23 H new ATOM 0 HD22 LEU A 42 -14.977 3.865 -9.065 1.00 1.23 H new ATOM 0 HD23 LEU A 42 -15.820 4.866 -7.859 1.00 1.23 H new ATOM 462 N ALA A 43 -14.861 9.319 -10.190 1.00 1.22 N ATOM 463 CA ALA A 43 -13.974 10.377 -10.654 1.00 1.28 C ATOM 464 C ALA A 43 -13.316 11.079 -9.473 1.00 1.20 C ATOM 465 O ALA A 43 -12.094 11.218 -9.423 1.00 1.18 O ATOM 466 CB ALA A 43 -14.742 11.377 -11.505 1.00 1.47 C ATOM 0 H ALA A 43 -15.847 9.472 -10.404 1.00 1.22 H new ATOM 0 HA ALA A 43 -13.192 9.928 -11.267 1.00 1.28 H new ATOM 0 HB1 ALA A 43 -14.065 12.161 -11.844 1.00 1.47 H new ATOM 0 HB2 ALA A 43 -15.169 10.867 -12.369 1.00 1.47 H new ATOM 0 HB3 ALA A 43 -15.543 11.820 -10.913 1.00 1.47 H new ATOM 472 N GLU A 44 -14.136 11.501 -8.513 1.00 1.22 N ATOM 473 CA GLU A 44 -13.631 12.177 -7.326 1.00 1.21 C ATOM 474 C GLU A 44 -12.732 11.244 -6.524 1.00 1.08 C ATOM 475 O GLU A 44 -11.670 11.646 -6.056 1.00 1.04 O ATOM 476 CB GLU A 44 -14.784 12.669 -6.449 1.00 1.37 C ATOM 477 CG GLU A 44 -15.607 13.772 -7.088 1.00 2.00 C ATOM 478 CD GLU A 44 -16.335 14.613 -6.064 1.00 1.86 C ATOM 479 OE1 GLU A 44 -16.971 14.040 -5.156 1.00 1.90 O ATOM 480 OE2 GLU A 44 -16.276 15.856 -6.155 1.00 2.19 O ATOM 0 H GLU A 44 -15.149 11.386 -8.536 1.00 1.22 H new ATOM 0 HA GLU A 44 -13.048 13.039 -7.651 1.00 1.21 H new ATOM 0 HB2 GLU A 44 -15.437 11.828 -6.217 1.00 1.37 H new ATOM 0 HB3 GLU A 44 -14.381 13.030 -5.503 1.00 1.37 H new ATOM 0 HG2 GLU A 44 -14.954 14.412 -7.682 1.00 2.00 H new ATOM 0 HG3 GLU A 44 -16.331 13.331 -7.773 1.00 2.00 H new ATOM 487 N LEU A 45 -13.162 9.994 -6.386 1.00 1.06 N ATOM 488 CA LEU A 45 -12.401 8.998 -5.651 1.00 1.00 C ATOM 489 C LEU A 45 -11.046 8.765 -6.307 1.00 0.94 C ATOM 490 O LEU A 45 -10.024 8.693 -5.629 1.00 0.91 O ATOM 491 CB LEU A 45 -13.175 7.683 -5.573 1.00 1.03 C ATOM 492 CG LEU A 45 -12.500 6.583 -4.753 1.00 0.98 C ATOM 493 CD1 LEU A 45 -12.446 6.964 -3.282 1.00 1.18 C ATOM 494 CD2 LEU A 45 -13.231 5.263 -4.933 1.00 1.20 C ATOM 0 H LEU A 45 -14.038 9.648 -6.777 1.00 1.06 H new ATOM 0 HA LEU A 45 -12.240 9.373 -4.640 1.00 1.00 H new ATOM 0 HB2 LEU A 45 -14.158 7.882 -5.146 1.00 1.03 H new ATOM 0 HB3 LEU A 45 -13.336 7.313 -6.586 1.00 1.03 H new ATOM 0 HG LEU A 45 -11.478 6.466 -5.113 1.00 0.98 H new ATOM 0 HD11 LEU A 45 -11.962 6.167 -2.717 1.00 1.18 H new ATOM 0 HD12 LEU A 45 -11.879 7.887 -3.166 1.00 1.18 H new ATOM 0 HD13 LEU A 45 -13.459 7.111 -2.907 1.00 1.18 H new ATOM 0 HD21 LEU A 45 -12.738 4.491 -4.343 1.00 1.20 H new ATOM 0 HD22 LEU A 45 -14.263 5.370 -4.600 1.00 1.20 H new ATOM 0 HD23 LEU A 45 -13.217 4.980 -5.985 1.00 1.20 H new ATOM 506 N HIS A 46 -11.040 8.650 -7.633 1.00 0.99 N ATOM 507 CA HIS A 46 -9.801 8.434 -8.370 1.00 1.04 C ATOM 508 C HIS A 46 -8.856 9.605 -8.144 1.00 1.03 C ATOM 509 O HIS A 46 -7.648 9.423 -8.000 1.00 1.04 O ATOM 510 CB HIS A 46 -10.073 8.262 -9.868 1.00 1.19 C ATOM 511 CG HIS A 46 -8.926 7.648 -10.615 1.00 1.32 C ATOM 512 ND1 HIS A 46 -7.865 8.382 -11.091 1.00 1.39 N ATOM 513 CD2 HIS A 46 -8.675 6.364 -10.963 1.00 1.45 C ATOM 514 CE1 HIS A 46 -7.011 7.579 -11.694 1.00 1.52 C ATOM 515 NE2 HIS A 46 -7.476 6.347 -11.633 1.00 1.57 N ATOM 0 H HIS A 46 -11.876 8.703 -8.215 1.00 0.99 H new ATOM 0 HA HIS A 46 -9.339 7.518 -8.002 1.00 1.04 H new ATOM 0 HB2 HIS A 46 -10.958 7.639 -10.000 1.00 1.19 H new ATOM 0 HB3 HIS A 46 -10.301 9.235 -10.303 1.00 1.19 H new ATOM 0 HD2 HIS A 46 -9.302 5.510 -10.753 1.00 1.45 H new ATOM 0 HE1 HIS A 46 -6.085 7.880 -12.160 1.00 1.52 H new ATOM 0 HE2 HIS A 46 -7.021 5.519 -12.019 1.00 1.57 H new ATOM 524 N ALA A 47 -9.419 10.805 -8.112 1.00 1.04 N ATOM 525 CA ALA A 47 -8.637 12.008 -7.882 1.00 1.06 C ATOM 526 C ALA A 47 -8.070 12.000 -6.470 1.00 0.97 C ATOM 527 O ALA A 47 -6.885 12.261 -6.264 1.00 0.98 O ATOM 528 CB ALA A 47 -9.489 13.247 -8.108 1.00 1.17 C ATOM 0 H ALA A 47 -10.417 10.970 -8.243 1.00 1.04 H new ATOM 0 HA ALA A 47 -7.809 12.029 -8.591 1.00 1.06 H new ATOM 0 HB1 ALA A 47 -8.888 14.139 -7.932 1.00 1.17 H new ATOM 0 HB2 ALA A 47 -9.856 13.254 -9.134 1.00 1.17 H new ATOM 0 HB3 ALA A 47 -10.335 13.237 -7.420 1.00 1.17 H new ATOM 534 N ASP A 48 -8.924 11.675 -5.505 1.00 0.91 N ATOM 535 CA ASP A 48 -8.523 11.612 -4.103 1.00 0.91 C ATOM 536 C ASP A 48 -7.432 10.567 -3.903 1.00 0.91 C ATOM 537 O ASP A 48 -6.476 10.786 -3.155 1.00 0.92 O ATOM 538 CB ASP A 48 -9.723 11.286 -3.206 1.00 0.97 C ATOM 539 CG ASP A 48 -10.560 12.509 -2.882 1.00 1.06 C ATOM 540 OD1 ASP A 48 -9.983 13.534 -2.460 1.00 1.12 O ATOM 541 OD2 ASP A 48 -11.798 12.451 -3.040 1.00 1.18 O ATOM 0 H ASP A 48 -9.905 11.450 -5.670 1.00 0.91 H new ATOM 0 HA ASP A 48 -8.132 12.590 -3.824 1.00 0.91 H new ATOM 0 HB2 ASP A 48 -10.349 10.542 -3.699 1.00 0.97 H new ATOM 0 HB3 ASP A 48 -9.367 10.838 -2.278 1.00 0.97 H new ATOM 546 N LEU A 49 -7.582 9.435 -4.587 1.00 0.94 N ATOM 547 CA LEU A 49 -6.614 8.347 -4.510 1.00 1.05 C ATOM 548 C LEU A 49 -5.252 8.803 -5.014 1.00 1.10 C ATOM 549 O LEU A 49 -4.224 8.436 -4.452 1.00 1.19 O ATOM 550 CB LEU A 49 -7.094 7.140 -5.324 1.00 1.10 C ATOM 551 CG LEU A 49 -8.231 6.334 -4.688 1.00 1.10 C ATOM 552 CD1 LEU A 49 -8.731 5.267 -5.648 1.00 1.11 C ATOM 553 CD2 LEU A 49 -7.776 5.699 -3.383 1.00 1.32 C ATOM 0 H LEU A 49 -8.372 9.248 -5.205 1.00 0.94 H new ATOM 0 HA LEU A 49 -6.520 8.052 -3.465 1.00 1.05 H new ATOM 0 HB2 LEU A 49 -7.422 7.490 -6.303 1.00 1.10 H new ATOM 0 HB3 LEU A 49 -6.247 6.474 -5.490 1.00 1.10 H new ATOM 0 HG LEU A 49 -9.052 7.018 -4.471 1.00 1.10 H new ATOM 0 HD11 LEU A 49 -9.538 4.705 -5.179 1.00 1.11 H new ATOM 0 HD12 LEU A 49 -9.100 5.740 -6.558 1.00 1.11 H new ATOM 0 HD13 LEU A 49 -7.914 4.590 -5.897 1.00 1.11 H new ATOM 0 HD21 LEU A 49 -8.599 5.131 -2.948 1.00 1.32 H new ATOM 0 HD22 LEU A 49 -6.937 5.031 -3.577 1.00 1.32 H new ATOM 0 HD23 LEU A 49 -7.466 6.479 -2.688 1.00 1.32 H new ATOM 565 N LYS A 50 -5.252 9.615 -6.068 1.00 1.08 N ATOM 566 CA LYS A 50 -4.011 10.129 -6.642 1.00 1.18 C ATOM 567 C LYS A 50 -3.272 11.001 -5.632 1.00 1.13 C ATOM 568 O LYS A 50 -2.040 11.016 -5.588 1.00 1.19 O ATOM 569 CB LYS A 50 -4.296 10.935 -7.911 1.00 1.24 C ATOM 570 CG LYS A 50 -4.618 10.079 -9.128 1.00 1.39 C ATOM 571 CD LYS A 50 -3.435 9.218 -9.555 1.00 1.54 C ATOM 572 CE LYS A 50 -2.195 10.054 -9.841 1.00 1.58 C ATOM 573 NZ LYS A 50 -1.063 9.217 -10.312 1.00 1.77 N ATOM 0 H LYS A 50 -6.098 9.931 -6.542 1.00 1.08 H new ATOM 0 HA LYS A 50 -3.382 9.277 -6.900 1.00 1.18 H new ATOM 0 HB2 LYS A 50 -5.132 11.608 -7.722 1.00 1.24 H new ATOM 0 HB3 LYS A 50 -3.430 11.557 -8.136 1.00 1.24 H new ATOM 0 HG2 LYS A 50 -5.470 9.437 -8.904 1.00 1.39 H new ATOM 0 HG3 LYS A 50 -4.914 10.724 -9.956 1.00 1.39 H new ATOM 0 HD2 LYS A 50 -3.212 8.494 -8.771 1.00 1.54 H new ATOM 0 HD3 LYS A 50 -3.703 8.650 -10.446 1.00 1.54 H new ATOM 0 HE2 LYS A 50 -2.429 10.806 -10.595 1.00 1.58 H new ATOM 0 HE3 LYS A 50 -1.901 10.589 -8.938 1.00 1.58 H new ATOM 0 HZ1 LYS A 50 -0.176 9.567 -9.896 1.00 1.77 H new ATOM 0 HZ2 LYS A 50 -1.216 8.230 -10.021 1.00 1.77 H new ATOM 0 HZ3 LYS A 50 -1.003 9.267 -11.349 1.00 1.77 H new ATOM 587 N ILE A 51 -4.035 11.716 -4.814 1.00 1.03 N ATOM 588 CA ILE A 51 -3.459 12.584 -3.796 1.00 0.99 C ATOM 589 C ILE A 51 -2.776 11.742 -2.724 1.00 1.02 C ATOM 590 O ILE A 51 -1.740 12.128 -2.183 1.00 1.03 O ATOM 591 CB ILE A 51 -4.527 13.488 -3.134 1.00 0.94 C ATOM 592 CG1 ILE A 51 -5.405 14.159 -4.198 1.00 0.96 C ATOM 593 CG2 ILE A 51 -3.865 14.546 -2.256 1.00 0.95 C ATOM 594 CD1 ILE A 51 -4.636 15.052 -5.149 1.00 1.00 C ATOM 0 H ILE A 51 -5.055 11.711 -4.836 1.00 1.03 H new ATOM 0 HA ILE A 51 -2.731 13.228 -4.289 1.00 0.99 H new ATOM 0 HB ILE A 51 -5.160 12.860 -2.507 1.00 0.94 H new ATOM 0 HG12 ILE A 51 -5.917 13.387 -4.773 1.00 0.96 H new ATOM 0 HG13 ILE A 51 -6.174 14.750 -3.701 1.00 0.96 H new ATOM 0 HG21 ILE A 51 -4.632 15.172 -1.799 1.00 0.95 H new ATOM 0 HG22 ILE A 51 -3.282 14.058 -1.475 1.00 0.95 H new ATOM 0 HG23 ILE A 51 -3.207 15.165 -2.866 1.00 0.95 H new ATOM 0 HD11 ILE A 51 -5.323 15.491 -5.872 1.00 1.00 H new ATOM 0 HD12 ILE A 51 -4.146 15.846 -4.586 1.00 1.00 H new ATOM 0 HD13 ILE A 51 -3.885 14.463 -5.674 1.00 1.00 H new ATOM 606 N GLN A 52 -3.362 10.587 -2.428 1.00 1.06 N ATOM 607 CA GLN A 52 -2.810 9.676 -1.432 1.00 1.14 C ATOM 608 C GLN A 52 -1.636 8.899 -2.017 1.00 1.26 C ATOM 609 O GLN A 52 -0.621 8.704 -1.350 1.00 1.36 O ATOM 610 CB GLN A 52 -3.888 8.705 -0.937 1.00 1.16 C ATOM 611 CG GLN A 52 -3.360 7.619 -0.006 1.00 1.33 C ATOM 612 CD GLN A 52 -3.630 6.220 -0.529 1.00 1.89 C ATOM 613 OE1 GLN A 52 -4.641 5.974 -1.186 1.00 2.61 O ATOM 614 NE2 GLN A 52 -2.720 5.301 -0.253 1.00 2.07 N ATOM 0 H GLN A 52 -4.223 10.259 -2.866 1.00 1.06 H new ATOM 0 HA GLN A 52 -2.456 10.265 -0.586 1.00 1.14 H new ATOM 0 HB2 GLN A 52 -4.662 9.270 -0.418 1.00 1.16 H new ATOM 0 HB3 GLN A 52 -4.361 8.233 -1.798 1.00 1.16 H new ATOM 0 HG2 GLN A 52 -2.287 7.752 0.129 1.00 1.33 H new ATOM 0 HG3 GLN A 52 -3.821 7.731 0.975 1.00 1.33 H new ATOM 0 HE21 GLN A 52 -1.896 5.548 0.295 1.00 2.07 H new ATOM 0 HE22 GLN A 52 -2.842 4.345 -0.588 1.00 2.07 H new ATOM 623 N GLU A 53 -1.794 8.466 -3.265 1.00 1.29 N ATOM 624 CA GLU A 53 -0.766 7.713 -3.976 1.00 1.44 C ATOM 625 C GLU A 53 0.582 8.425 -3.921 1.00 1.50 C ATOM 626 O GLU A 53 1.552 7.907 -3.362 1.00 1.66 O ATOM 627 CB GLU A 53 -1.193 7.513 -5.433 1.00 1.44 C ATOM 628 CG GLU A 53 -0.066 7.099 -6.369 1.00 1.66 C ATOM 629 CD GLU A 53 -0.172 7.771 -7.721 1.00 1.65 C ATOM 630 OE1 GLU A 53 0.313 8.911 -7.866 1.00 1.71 O ATOM 631 OE2 GLU A 53 -0.754 7.169 -8.645 1.00 1.64 O ATOM 0 H GLU A 53 -2.640 8.628 -3.812 1.00 1.29 H new ATOM 0 HA GLU A 53 -0.653 6.744 -3.489 1.00 1.44 H new ATOM 0 HB2 GLU A 53 -1.975 6.755 -5.469 1.00 1.44 H new ATOM 0 HB3 GLU A 53 -1.632 8.441 -5.801 1.00 1.44 H new ATOM 0 HG2 GLU A 53 0.892 7.350 -5.914 1.00 1.66 H new ATOM 0 HG3 GLU A 53 -0.083 6.017 -6.500 1.00 1.66 H new ATOM 638 N ARG A 54 0.623 9.624 -4.486 1.00 1.41 N ATOM 639 CA ARG A 54 1.843 10.418 -4.521 1.00 1.48 C ATOM 640 C ARG A 54 2.329 10.744 -3.114 1.00 1.41 C ATOM 641 O ARG A 54 3.530 10.768 -2.855 1.00 1.49 O ATOM 642 CB ARG A 54 1.605 11.708 -5.306 1.00 1.45 C ATOM 643 CG ARG A 54 2.808 12.636 -5.355 1.00 1.75 C ATOM 644 CD ARG A 54 2.446 13.969 -5.990 1.00 2.17 C ATOM 645 NE ARG A 54 1.195 14.509 -5.451 1.00 2.11 N ATOM 646 CZ ARG A 54 0.108 14.759 -6.182 1.00 3.08 C ATOM 647 NH1 ARG A 54 0.123 14.544 -7.493 1.00 3.93 N ATOM 648 NH2 ARG A 54 -0.993 15.224 -5.598 1.00 3.44 N ATOM 0 H ARG A 54 -0.180 10.070 -4.929 1.00 1.41 H new ATOM 0 HA ARG A 54 2.616 9.831 -5.018 1.00 1.48 H new ATOM 0 HB2 ARG A 54 1.315 11.452 -6.325 1.00 1.45 H new ATOM 0 HB3 ARG A 54 0.766 12.242 -4.861 1.00 1.45 H new ATOM 0 HG2 ARG A 54 3.185 12.801 -4.346 1.00 1.75 H new ATOM 0 HG3 ARG A 54 3.611 12.166 -5.922 1.00 1.75 H new ATOM 0 HD2 ARG A 54 3.252 14.683 -5.821 1.00 2.17 H new ATOM 0 HD3 ARG A 54 2.352 13.844 -7.069 1.00 2.17 H new ATOM 0 HE ARG A 54 1.153 14.707 -4.451 1.00 2.11 H new ATOM 0 HH11 ARG A 54 0.967 14.187 -7.942 1.00 3.93 H new ATOM 0 HH12 ARG A 54 -0.709 14.736 -8.051 1.00 3.93 H new ATOM 0 HH21 ARG A 54 -1.006 15.389 -4.592 1.00 3.44 H new ATOM 0 HH22 ARG A 54 -1.825 15.415 -6.157 1.00 3.44 H new ATOM 662 N ASP A 55 1.390 10.973 -2.204 1.00 1.30 N ATOM 663 CA ASP A 55 1.729 11.305 -0.823 1.00 1.27 C ATOM 664 C ASP A 55 2.459 10.157 -0.140 1.00 1.41 C ATOM 665 O ASP A 55 3.499 10.364 0.480 1.00 1.50 O ATOM 666 CB ASP A 55 0.475 11.671 -0.026 1.00 1.18 C ATOM 667 CG ASP A 55 0.348 13.166 0.203 1.00 1.35 C ATOM 668 OD1 ASP A 55 1.025 13.948 -0.505 1.00 2.10 O ATOM 669 OD2 ASP A 55 -0.437 13.572 1.088 1.00 1.12 O ATOM 0 H ASP A 55 0.389 10.935 -2.396 1.00 1.30 H new ATOM 0 HA ASP A 55 2.394 12.168 -0.851 1.00 1.27 H new ATOM 0 HB2 ASP A 55 -0.407 11.312 -0.557 1.00 1.18 H new ATOM 0 HB3 ASP A 55 0.498 11.160 0.936 1.00 1.18 H new ATOM 674 N GLU A 56 1.924 8.946 -0.270 1.00 1.45 N ATOM 675 CA GLU A 56 2.541 7.773 0.343 1.00 1.62 C ATOM 676 C GLU A 56 3.912 7.511 -0.272 1.00 1.71 C ATOM 677 O GLU A 56 4.870 7.193 0.434 1.00 1.81 O ATOM 678 CB GLU A 56 1.655 6.538 0.177 1.00 1.72 C ATOM 679 CG GLU A 56 1.887 5.486 1.254 1.00 1.95 C ATOM 680 CD GLU A 56 1.594 4.075 0.779 1.00 1.83 C ATOM 681 OE1 GLU A 56 0.403 3.691 0.736 1.00 1.95 O ATOM 682 OE2 GLU A 56 2.547 3.351 0.431 1.00 1.92 O ATOM 0 H GLU A 56 1.069 8.751 -0.791 1.00 1.45 H new ATOM 0 HA GLU A 56 2.659 7.974 1.408 1.00 1.62 H new ATOM 0 HB2 GLU A 56 0.609 6.844 0.196 1.00 1.72 H new ATOM 0 HB3 GLU A 56 1.840 6.094 -0.801 1.00 1.72 H new ATOM 0 HG2 GLU A 56 2.922 5.542 1.592 1.00 1.95 H new ATOM 0 HG3 GLU A 56 1.258 5.711 2.115 1.00 1.95 H new ATOM 689 N LEU A 57 3.994 7.655 -1.591 1.00 1.72 N ATOM 690 CA LEU A 57 5.246 7.444 -2.307 1.00 1.86 C ATOM 691 C LEU A 57 6.291 8.457 -1.850 1.00 1.89 C ATOM 692 O LEU A 57 7.456 8.116 -1.642 1.00 2.01 O ATOM 693 CB LEU A 57 5.024 7.550 -3.819 1.00 1.89 C ATOM 694 CG LEU A 57 4.250 6.387 -4.446 1.00 1.92 C ATOM 695 CD1 LEU A 57 3.731 6.768 -5.824 1.00 1.97 C ATOM 696 CD2 LEU A 57 5.128 5.148 -4.530 1.00 2.10 C ATOM 0 H LEU A 57 3.208 7.917 -2.185 1.00 1.72 H new ATOM 0 HA LEU A 57 5.610 6.441 -2.083 1.00 1.86 H new ATOM 0 HB2 LEU A 57 4.489 8.476 -4.028 1.00 1.89 H new ATOM 0 HB3 LEU A 57 5.995 7.625 -4.309 1.00 1.89 H new ATOM 0 HG LEU A 57 3.394 6.162 -3.809 1.00 1.92 H new ATOM 0 HD11 LEU A 57 3.184 5.928 -6.252 1.00 1.97 H new ATOM 0 HD12 LEU A 57 3.066 7.627 -5.738 1.00 1.97 H new ATOM 0 HD13 LEU A 57 4.570 7.022 -6.471 1.00 1.97 H new ATOM 0 HD21 LEU A 57 4.562 4.331 -4.978 1.00 2.10 H new ATOM 0 HD22 LEU A 57 6.003 5.363 -5.144 1.00 2.10 H new ATOM 0 HD23 LEU A 57 5.449 4.861 -3.529 1.00 2.10 H new ATOM 708 N ALA A 58 5.865 9.703 -1.689 1.00 1.81 N ATOM 709 CA ALA A 58 6.757 10.760 -1.237 1.00 1.87 C ATOM 710 C ALA A 58 7.170 10.517 0.210 1.00 1.89 C ATOM 711 O ALA A 58 8.345 10.635 0.561 1.00 2.02 O ATOM 712 CB ALA A 58 6.088 12.120 -1.381 1.00 1.81 C ATOM 0 H ALA A 58 4.907 10.005 -1.865 1.00 1.81 H new ATOM 0 HA ALA A 58 7.652 10.751 -1.860 1.00 1.87 H new ATOM 0 HB1 ALA A 58 6.769 12.899 -1.038 1.00 1.81 H new ATOM 0 HB2 ALA A 58 5.836 12.293 -2.427 1.00 1.81 H new ATOM 0 HB3 ALA A 58 5.179 12.144 -0.780 1.00 1.81 H new ATOM 718 N TRP A 59 6.193 10.157 1.039 1.00 1.79 N ATOM 719 CA TRP A 59 6.429 9.886 2.452 1.00 1.85 C ATOM 720 C TRP A 59 7.419 8.736 2.628 1.00 1.94 C ATOM 721 O TRP A 59 8.234 8.745 3.550 1.00 2.00 O ATOM 722 CB TRP A 59 5.104 9.564 3.153 1.00 1.75 C ATOM 723 CG TRP A 59 5.248 9.287 4.618 1.00 1.91 C ATOM 724 CD1 TRP A 59 5.522 10.192 5.603 1.00 2.12 C ATOM 725 CD2 TRP A 59 5.116 8.015 5.263 1.00 2.01 C ATOM 726 NE1 TRP A 59 5.573 9.560 6.823 1.00 2.31 N ATOM 727 CE2 TRP A 59 5.330 8.222 6.638 1.00 2.26 C ATOM 728 CE3 TRP A 59 4.843 6.718 4.807 1.00 2.01 C ATOM 729 CZ2 TRP A 59 5.277 7.182 7.561 1.00 2.49 C ATOM 730 CZ3 TRP A 59 4.792 5.689 5.727 1.00 2.27 C ATOM 731 CH2 TRP A 59 5.008 5.927 7.090 1.00 2.50 C ATOM 0 H TRP A 59 5.221 10.046 0.751 1.00 1.79 H new ATOM 0 HA TRP A 59 6.862 10.777 2.907 1.00 1.85 H new ATOM 0 HB2 TRP A 59 4.419 10.400 3.016 1.00 1.75 H new ATOM 0 HB3 TRP A 59 4.650 8.698 2.672 1.00 1.75 H new ATOM 0 HD1 TRP A 59 5.676 11.249 5.447 1.00 2.12 H new ATOM 0 HE1 TRP A 59 5.761 10.011 7.718 1.00 2.31 H new ATOM 0 HE3 TRP A 59 4.676 6.527 3.757 1.00 2.01 H new ATOM 0 HZ2 TRP A 59 5.443 7.360 8.613 1.00 2.49 H new ATOM 0 HZ3 TRP A 59 4.582 4.685 5.390 1.00 2.27 H new ATOM 0 HH2 TRP A 59 4.961 5.101 7.784 1.00 2.50 H new ATOM 742 N LYS A 60 7.353 7.757 1.733 1.00 1.97 N ATOM 743 CA LYS A 60 8.253 6.611 1.790 1.00 2.06 C ATOM 744 C LYS A 60 9.700 7.069 1.666 1.00 2.17 C ATOM 745 O LYS A 60 10.551 6.718 2.487 1.00 2.24 O ATOM 746 CB LYS A 60 7.923 5.612 0.677 1.00 2.07 C ATOM 747 CG LYS A 60 8.046 4.161 1.112 1.00 2.02 C ATOM 748 CD LYS A 60 7.027 3.800 2.184 1.00 2.60 C ATOM 749 CE LYS A 60 5.595 3.996 1.702 1.00 2.94 C ATOM 750 NZ LYS A 60 5.257 3.099 0.566 1.00 2.99 N ATOM 0 H LYS A 60 6.687 7.734 0.961 1.00 1.97 H new ATOM 0 HA LYS A 60 8.119 6.117 2.753 1.00 2.06 H new ATOM 0 HB2 LYS A 60 6.907 5.793 0.326 1.00 2.07 H new ATOM 0 HB3 LYS A 60 8.589 5.788 -0.168 1.00 2.07 H new ATOM 0 HG2 LYS A 60 7.910 3.510 0.248 1.00 2.02 H new ATOM 0 HG3 LYS A 60 9.052 3.980 1.492 1.00 2.02 H new ATOM 0 HD2 LYS A 60 7.169 2.762 2.484 1.00 2.60 H new ATOM 0 HD3 LYS A 60 7.199 4.414 3.068 1.00 2.60 H new ATOM 0 HE2 LYS A 60 4.907 3.810 2.527 1.00 2.94 H new ATOM 0 HE3 LYS A 60 5.455 5.033 1.398 1.00 2.94 H new ATOM 0 HZ1 LYS A 60 4.224 3.051 0.457 1.00 2.99 H new ATOM 0 HZ2 LYS A 60 5.680 3.471 -0.308 1.00 2.99 H new ATOM 0 HZ3 LYS A 60 5.630 2.147 0.753 1.00 2.99 H new ATOM 764 N LYS A 61 9.966 7.883 0.651 1.00 2.20 N ATOM 765 CA LYS A 61 11.305 8.403 0.427 1.00 2.32 C ATOM 766 C LYS A 61 11.689 9.333 1.575 1.00 2.25 C ATOM 767 O LYS A 61 12.836 9.350 2.023 1.00 2.37 O ATOM 768 CB LYS A 61 11.373 9.152 -0.907 1.00 2.34 C ATOM 769 CG LYS A 61 12.752 9.121 -1.552 1.00 2.55 C ATOM 770 CD LYS A 61 13.264 10.521 -1.850 1.00 2.36 C ATOM 771 CE LYS A 61 13.674 11.247 -0.579 1.00 2.69 C ATOM 772 NZ LYS A 61 14.368 12.528 -0.863 1.00 2.31 N ATOM 0 H LYS A 61 9.272 8.195 -0.028 1.00 2.20 H new ATOM 0 HA LYS A 61 12.008 7.571 0.388 1.00 2.32 H new ATOM 0 HB2 LYS A 61 10.649 8.717 -1.596 1.00 2.34 H new ATOM 0 HB3 LYS A 61 11.079 10.189 -0.748 1.00 2.34 H new ATOM 0 HG2 LYS A 61 13.452 8.611 -0.890 1.00 2.55 H new ATOM 0 HG3 LYS A 61 12.709 8.545 -2.476 1.00 2.55 H new ATOM 0 HD2 LYS A 61 14.116 10.461 -2.527 1.00 2.36 H new ATOM 0 HD3 LYS A 61 12.489 11.091 -2.362 1.00 2.36 H new ATOM 0 HE2 LYS A 61 12.789 11.442 0.027 1.00 2.69 H new ATOM 0 HE3 LYS A 61 14.329 10.604 0.009 1.00 2.69 H new ATOM 0 HZ1 LYS A 61 14.957 12.792 -0.048 1.00 2.31 H new ATOM 0 HZ2 LYS A 61 14.970 12.418 -1.704 1.00 2.31 H new ATOM 0 HZ3 LYS A 61 13.664 13.273 -1.037 1.00 2.31 H new ATOM 786 N LEU A 62 10.709 10.101 2.041 1.00 2.10 N ATOM 787 CA LEU A 62 10.900 11.030 3.149 1.00 2.07 C ATOM 788 C LEU A 62 11.364 10.284 4.393 1.00 2.18 C ATOM 789 O LEU A 62 12.329 10.684 5.043 1.00 2.26 O ATOM 790 CB LEU A 62 9.603 11.789 3.442 1.00 1.93 C ATOM 791 CG LEU A 62 9.598 13.264 3.028 1.00 1.87 C ATOM 792 CD1 LEU A 62 9.770 13.404 1.525 1.00 1.89 C ATOM 793 CD2 LEU A 62 8.314 13.940 3.485 1.00 2.52 C ATOM 0 H LEU A 62 9.762 10.097 1.662 1.00 2.10 H new ATOM 0 HA LEU A 62 11.668 11.750 2.866 1.00 2.07 H new ATOM 0 HB2 LEU A 62 8.783 11.283 2.933 1.00 1.93 H new ATOM 0 HB3 LEU A 62 9.400 11.728 4.511 1.00 1.93 H new ATOM 0 HG LEU A 62 10.440 13.758 3.513 1.00 1.87 H new ATOM 0 HD11 LEU A 62 9.763 14.460 1.255 1.00 1.89 H new ATOM 0 HD12 LEU A 62 10.718 12.958 1.224 1.00 1.89 H new ATOM 0 HD13 LEU A 62 8.952 12.894 1.016 1.00 1.89 H new ATOM 0 HD21 LEU A 62 8.327 14.987 3.183 1.00 2.52 H new ATOM 0 HD22 LEU A 62 7.458 13.441 3.030 1.00 2.52 H new ATOM 0 HD23 LEU A 62 8.236 13.876 4.570 1.00 2.52 H new ATOM 805 N LYS A 63 10.651 9.216 4.732 1.00 2.22 N ATOM 806 CA LYS A 63 10.980 8.398 5.894 1.00 2.37 C ATOM 807 C LYS A 63 12.413 7.867 5.808 1.00 2.53 C ATOM 808 O LYS A 63 13.141 7.887 6.799 1.00 2.65 O ATOM 809 CB LYS A 63 9.990 7.232 6.020 1.00 2.47 C ATOM 810 CG LYS A 63 10.128 6.439 7.312 1.00 2.96 C ATOM 811 CD LYS A 63 11.003 5.210 7.123 1.00 3.39 C ATOM 812 CE LYS A 63 11.370 4.570 8.450 1.00 4.05 C ATOM 813 NZ LYS A 63 12.350 5.387 9.215 1.00 5.03 N ATOM 0 H LYS A 63 9.834 8.894 4.213 1.00 2.22 H new ATOM 0 HA LYS A 63 10.904 9.026 6.781 1.00 2.37 H new ATOM 0 HB2 LYS A 63 8.975 7.622 5.952 1.00 2.47 H new ATOM 0 HB3 LYS A 63 10.130 6.558 5.175 1.00 2.47 H new ATOM 0 HG2 LYS A 63 10.556 7.076 8.086 1.00 2.96 H new ATOM 0 HG3 LYS A 63 9.141 6.134 7.660 1.00 2.96 H new ATOM 0 HD2 LYS A 63 10.480 4.483 6.501 1.00 3.39 H new ATOM 0 HD3 LYS A 63 11.912 5.489 6.590 1.00 3.39 H new ATOM 0 HE2 LYS A 63 10.469 4.433 9.047 1.00 4.05 H new ATOM 0 HE3 LYS A 63 11.787 3.579 8.271 1.00 4.05 H new ATOM 0 HZ1 LYS A 63 13.037 4.760 9.679 1.00 5.03 H new ATOM 0 HZ2 LYS A 63 12.850 6.028 8.566 1.00 5.03 H new ATOM 0 HZ3 LYS A 63 11.849 5.945 9.935 1.00 5.03 H new ATOM 827 N LEU A 64 12.811 7.400 4.623 1.00 2.56 N ATOM 828 CA LEU A 64 14.165 6.873 4.419 1.00 2.71 C ATOM 829 C LEU A 64 15.191 7.984 4.605 1.00 2.76 C ATOM 830 O LEU A 64 16.279 7.769 5.144 1.00 2.96 O ATOM 831 CB LEU A 64 14.297 6.264 3.019 1.00 2.73 C ATOM 832 CG LEU A 64 15.066 4.937 2.941 1.00 2.87 C ATOM 833 CD1 LEU A 64 14.733 4.217 1.642 1.00 3.17 C ATOM 834 CD2 LEU A 64 16.573 5.166 3.043 1.00 2.74 C ATOM 0 H LEU A 64 12.219 7.375 3.793 1.00 2.56 H new ATOM 0 HA LEU A 64 14.350 6.092 5.157 1.00 2.71 H new ATOM 0 HB2 LEU A 64 13.297 6.108 2.615 1.00 2.73 H new ATOM 0 HB3 LEU A 64 14.792 6.989 2.373 1.00 2.73 H new ATOM 0 HG LEU A 64 14.760 4.317 3.784 1.00 2.87 H new ATOM 0 HD11 LEU A 64 15.283 3.277 1.596 1.00 3.17 H new ATOM 0 HD12 LEU A 64 13.663 4.014 1.603 1.00 3.17 H new ATOM 0 HD13 LEU A 64 15.014 4.844 0.796 1.00 3.17 H new ATOM 0 HD21 LEU A 64 17.091 4.209 2.985 1.00 2.74 H new ATOM 0 HD22 LEU A 64 16.900 5.806 2.224 1.00 2.74 H new ATOM 0 HD23 LEU A 64 16.804 5.647 3.994 1.00 2.74 H new ATOM 846 N ASP A 65 14.828 9.178 4.157 1.00 2.59 N ATOM 847 CA ASP A 65 15.695 10.344 4.271 1.00 2.64 C ATOM 848 C ASP A 65 15.735 10.841 5.716 1.00 2.67 C ATOM 849 O ASP A 65 16.665 11.536 6.122 1.00 2.74 O ATOM 850 CB ASP A 65 15.199 11.466 3.355 1.00 2.57 C ATOM 851 CG ASP A 65 16.234 11.914 2.340 1.00 3.00 C ATOM 852 OD1 ASP A 65 17.217 11.746 3.091 1.00 2.72 O ATOM 853 OD2 ASP A 65 16.013 12.995 1.757 1.00 3.52 O ATOM 0 H ASP A 65 13.932 9.366 3.708 1.00 2.59 H new ATOM 0 HA ASP A 65 16.701 10.053 3.968 1.00 2.64 H new ATOM 0 HB2 ASP A 65 14.307 11.128 2.828 1.00 2.57 H new ATOM 0 HB3 ASP A 65 14.905 12.320 3.965 1.00 2.57 H new ATOM 858 N GLY A 66 14.712 10.474 6.482 1.00 2.64 N ATOM 859 CA GLY A 66 14.625 10.873 7.872 1.00 2.67 C ATOM 860 C GLY A 66 13.880 12.181 8.049 1.00 2.64 C ATOM 861 O GLY A 66 14.166 12.946 8.966 1.00 2.81 O ATOM 0 H GLY A 66 13.934 9.900 6.158 1.00 2.64 H new ATOM 0 HA2 GLY A 66 14.122 10.091 8.441 1.00 2.67 H new ATOM 0 HA3 GLY A 66 15.630 10.971 8.283 1.00 2.67 H new ATOM 865 N LEU A 67 12.917 12.441 7.174 1.00 2.45 N ATOM 866 CA LEU A 67 12.144 13.679 7.245 1.00 2.43 C ATOM 867 C LEU A 67 10.950 13.554 8.187 1.00 2.31 C ATOM 868 O LEU A 67 10.556 14.528 8.830 1.00 2.36 O ATOM 869 CB LEU A 67 11.663 14.092 5.853 1.00 2.30 C ATOM 870 CG LEU A 67 12.443 15.237 5.204 1.00 2.36 C ATOM 871 CD1 LEU A 67 12.457 16.464 6.108 1.00 1.72 C ATOM 872 CD2 LEU A 67 13.861 14.800 4.877 1.00 2.89 C ATOM 0 H LEU A 67 12.652 11.818 6.411 1.00 2.45 H new ATOM 0 HA LEU A 67 12.806 14.448 7.643 1.00 2.43 H new ATOM 0 HB2 LEU A 67 11.713 13.223 5.197 1.00 2.30 H new ATOM 0 HB3 LEU A 67 10.614 14.381 5.920 1.00 2.30 H new ATOM 0 HG LEU A 67 11.941 15.505 4.274 1.00 2.36 H new ATOM 0 HD11 LEU A 67 13.017 17.265 5.626 1.00 1.72 H new ATOM 0 HD12 LEU A 67 11.434 16.794 6.289 1.00 1.72 H new ATOM 0 HD13 LEU A 67 12.930 16.211 7.057 1.00 1.72 H new ATOM 0 HD21 LEU A 67 14.400 15.628 4.416 1.00 2.89 H new ATOM 0 HD22 LEU A 67 14.370 14.501 5.793 1.00 2.89 H new ATOM 0 HD23 LEU A 67 13.832 13.957 4.187 1.00 2.89 H new ATOM 884 N ASP A 68 10.369 12.368 8.263 1.00 2.29 N ATOM 885 CA ASP A 68 9.216 12.146 9.129 1.00 2.20 C ATOM 886 C ASP A 68 9.356 10.836 9.883 1.00 2.32 C ATOM 887 O ASP A 68 9.251 9.758 9.298 1.00 2.44 O ATOM 888 CB ASP A 68 7.923 12.141 8.311 1.00 2.03 C ATOM 889 CG ASP A 68 6.672 12.026 9.171 1.00 2.02 C ATOM 890 OD1 ASP A 68 6.188 13.070 9.669 1.00 2.33 O ATOM 891 OD2 ASP A 68 6.146 10.903 9.320 1.00 1.87 O ATOM 0 H ASP A 68 10.672 11.547 7.740 1.00 2.29 H new ATOM 0 HA ASP A 68 9.173 12.962 9.850 1.00 2.20 H new ATOM 0 HB2 ASP A 68 7.869 13.057 7.723 1.00 2.03 H new ATOM 0 HB3 ASP A 68 7.949 11.310 7.606 1.00 2.03 H new ATOM 896 N GLU A 69 9.620 10.939 11.176 1.00 2.32 N ATOM 897 CA GLU A 69 9.771 9.766 12.026 1.00 2.45 C ATOM 898 C GLU A 69 8.740 9.782 13.146 1.00 2.42 C ATOM 899 O GLU A 69 8.430 8.747 13.732 1.00 2.54 O ATOM 900 CB GLU A 69 11.185 9.714 12.607 1.00 2.55 C ATOM 901 CG GLU A 69 12.273 9.580 11.550 1.00 2.79 C ATOM 902 CD GLU A 69 12.464 8.146 11.089 1.00 3.17 C ATOM 903 OE1 GLU A 69 11.614 7.269 11.344 1.00 4.01 O ATOM 904 OE2 GLU A 69 12.170 9.358 10.989 1.00 2.95 O ATOM 0 H GLU A 69 9.735 11.828 11.663 1.00 2.32 H new ATOM 0 HA GLU A 69 9.607 8.875 11.420 1.00 2.45 H new ATOM 0 HB2 GLU A 69 11.364 10.619 13.188 1.00 2.55 H new ATOM 0 HB3 GLU A 69 11.255 8.873 13.297 1.00 2.55 H new ATOM 0 HG2 GLU A 69 12.020 10.203 10.692 1.00 2.79 H new ATOM 0 HG3 GLU A 69 13.213 9.957 11.952 1.00 2.79 H new ATOM 911 N ASP A 70 8.198 10.963 13.425 1.00 2.29 N ATOM 912 CA ASP A 70 7.197 11.124 14.476 1.00 2.27 C ATOM 913 C ASP A 70 5.815 10.731 13.967 1.00 2.31 C ATOM 914 O ASP A 70 4.913 10.429 14.751 1.00 2.37 O ATOM 915 CB ASP A 70 7.178 12.570 14.993 1.00 2.16 C ATOM 916 CG ASP A 70 6.602 13.551 13.988 1.00 3.15 C ATOM 917 OD1 ASP A 70 7.193 13.708 12.899 1.00 3.57 O ATOM 918 OD2 ASP A 70 5.567 14.180 14.290 1.00 3.95 O ATOM 0 H ASP A 70 8.436 11.826 12.936 1.00 2.29 H new ATOM 0 HA ASP A 70 7.466 10.464 15.301 1.00 2.27 H new ATOM 0 HB2 ASP A 70 6.593 12.614 15.912 1.00 2.16 H new ATOM 0 HB3 ASP A 70 8.194 12.873 15.247 1.00 2.16 H new ATOM 923 N GLY A 71 5.658 10.726 12.648 1.00 2.30 N ATOM 924 CA GLY A 71 4.390 10.357 12.051 1.00 2.35 C ATOM 925 C GLY A 71 3.447 11.532 11.920 1.00 2.23 C ATOM 926 O GLY A 71 2.245 11.399 12.151 1.00 2.14 O ATOM 0 H GLY A 71 6.389 10.972 11.981 1.00 2.30 H new ATOM 0 HA2 GLY A 71 4.568 9.927 11.066 1.00 2.35 H new ATOM 0 HA3 GLY A 71 3.919 9.583 12.657 1.00 2.35 H new ATOM 930 N GLU A 72 3.981 12.683 11.542 1.00 2.36 N ATOM 931 CA GLU A 72 3.167 13.879 11.382 1.00 2.29 C ATOM 932 C GLU A 72 2.456 13.860 10.036 1.00 2.12 C ATOM 933 O GLU A 72 1.258 14.138 9.951 1.00 2.04 O ATOM 934 CB GLU A 72 4.032 15.139 11.504 1.00 2.38 C ATOM 935 CG GLU A 72 3.248 16.444 11.416 1.00 2.08 C ATOM 936 CD GLU A 72 3.338 17.082 10.045 1.00 2.61 C ATOM 937 OE1 GLU A 72 4.439 17.506 9.646 1.00 2.78 O ATOM 938 OE2 GLU A 72 2.298 17.166 9.359 1.00 3.01 O ATOM 0 H GLU A 72 4.972 12.815 11.341 1.00 2.36 H new ATOM 0 HA GLU A 72 2.418 13.893 12.174 1.00 2.29 H new ATOM 0 HB2 GLU A 72 4.564 15.111 12.455 1.00 2.38 H new ATOM 0 HB3 GLU A 72 4.786 15.127 10.717 1.00 2.38 H new ATOM 0 HG2 GLU A 72 2.202 16.253 11.657 1.00 2.08 H new ATOM 0 HG3 GLU A 72 3.625 17.142 12.164 1.00 2.08 H new ATOM 945 N LYS A 73 3.196 13.507 8.989 1.00 2.09 N ATOM 946 CA LYS A 73 2.633 13.463 7.643 1.00 1.97 C ATOM 947 C LYS A 73 1.516 12.427 7.567 1.00 1.91 C ATOM 948 O LYS A 73 0.472 12.671 6.960 1.00 1.84 O ATOM 949 CB LYS A 73 3.709 13.145 6.600 1.00 2.03 C ATOM 950 CG LYS A 73 5.072 13.756 6.890 1.00 1.80 C ATOM 951 CD LYS A 73 5.032 15.275 6.934 1.00 2.02 C ATOM 952 CE LYS A 73 6.323 15.838 7.511 1.00 2.53 C ATOM 953 NZ LYS A 73 6.365 15.739 8.996 1.00 2.24 N ATOM 0 H LYS A 73 4.181 13.249 9.045 1.00 2.09 H new ATOM 0 HA LYS A 73 2.224 14.449 7.423 1.00 1.97 H new ATOM 0 HB2 LYS A 73 3.818 12.063 6.528 1.00 2.03 H new ATOM 0 HB3 LYS A 73 3.368 13.496 5.626 1.00 2.03 H new ATOM 0 HG2 LYS A 73 5.441 13.378 7.844 1.00 1.80 H new ATOM 0 HG3 LYS A 73 5.780 13.436 6.125 1.00 1.80 H new ATOM 0 HD2 LYS A 73 4.877 15.668 5.929 1.00 2.02 H new ATOM 0 HD3 LYS A 73 4.186 15.603 7.538 1.00 2.02 H new ATOM 0 HE2 LYS A 73 7.172 15.301 7.089 1.00 2.53 H new ATOM 0 HE3 LYS A 73 6.427 16.882 7.215 1.00 2.53 H new ATOM 0 HZ1 LYS A 73 7.269 16.119 9.344 1.00 2.24 H new ATOM 0 HZ2 LYS A 73 5.580 16.287 9.403 1.00 2.24 H new ATOM 0 HZ3 LYS A 73 6.276 14.743 9.280 1.00 2.24 H new ATOM 967 N GLU A 74 1.727 11.276 8.201 1.00 1.97 N ATOM 968 CA GLU A 74 0.721 10.226 8.192 1.00 1.98 C ATOM 969 C GLU A 74 -0.493 10.647 9.010 1.00 1.98 C ATOM 970 O GLU A 74 -1.624 10.315 8.663 1.00 1.93 O ATOM 971 CB GLU A 74 1.279 8.904 8.715 1.00 2.10 C ATOM 972 CG GLU A 74 0.463 7.702 8.260 1.00 2.50 C ATOM 973 CD GLU A 74 0.920 6.403 8.885 1.00 2.35 C ATOM 974 OE1 GLU A 74 1.822 6.439 9.749 1.00 2.06 O ATOM 975 OE2 GLU A 74 0.367 5.342 8.526 1.00 2.79 O ATOM 0 H GLU A 74 2.576 11.051 8.720 1.00 1.97 H new ATOM 0 HA GLU A 74 0.417 10.071 7.157 1.00 1.98 H new ATOM 0 HB2 GLU A 74 2.308 8.789 8.376 1.00 2.10 H new ATOM 0 HB3 GLU A 74 1.304 8.930 9.804 1.00 2.10 H new ATOM 0 HG2 GLU A 74 -0.586 7.868 8.507 1.00 2.50 H new ATOM 0 HG3 GLU A 74 0.525 7.618 7.175 1.00 2.50 H new ATOM 982 N ALA A 75 -0.259 11.390 10.089 1.00 2.07 N ATOM 983 CA ALA A 75 -1.353 11.868 10.926 1.00 2.13 C ATOM 984 C ALA A 75 -2.259 12.772 10.102 1.00 2.05 C ATOM 985 O ALA A 75 -3.486 12.744 10.232 1.00 2.08 O ATOM 986 CB ALA A 75 -0.814 12.606 12.140 1.00 2.28 C ATOM 0 H ALA A 75 0.670 11.671 10.401 1.00 2.07 H new ATOM 0 HA ALA A 75 -1.931 11.016 11.285 1.00 2.13 H new ATOM 0 HB1 ALA A 75 -1.645 12.955 12.752 1.00 2.28 H new ATOM 0 HB2 ALA A 75 -0.189 11.933 12.727 1.00 2.28 H new ATOM 0 HB3 ALA A 75 -0.221 13.460 11.813 1.00 2.28 H new ATOM 992 N ARG A 76 -1.628 13.559 9.238 1.00 1.98 N ATOM 993 CA ARG A 76 -2.339 14.463 8.348 1.00 1.92 C ATOM 994 C ARG A 76 -3.159 13.645 7.356 1.00 1.79 C ATOM 995 O ARG A 76 -4.301 13.986 7.036 1.00 1.78 O ATOM 996 CB ARG A 76 -1.337 15.348 7.604 1.00 1.89 C ATOM 997 CG ARG A 76 -1.951 16.581 6.966 1.00 1.87 C ATOM 998 CD ARG A 76 -0.941 17.317 6.099 1.00 1.87 C ATOM 999 NE ARG A 76 0.341 17.504 6.782 1.00 1.93 N ATOM 1000 CZ ARG A 76 1.441 17.974 6.193 1.00 1.96 C ATOM 1001 NH1 ARG A 76 1.423 18.304 4.906 1.00 1.96 N ATOM 1002 NH2 ARG A 76 2.558 18.108 6.895 1.00 2.07 N ATOM 0 H ARG A 76 -0.613 13.587 9.136 1.00 1.98 H new ATOM 0 HA ARG A 76 -3.007 15.102 8.926 1.00 1.92 H new ATOM 0 HB2 ARG A 76 -0.559 15.662 8.300 1.00 1.89 H new ATOM 0 HB3 ARG A 76 -0.851 14.755 6.829 1.00 1.89 H new ATOM 0 HG2 ARG A 76 -2.809 16.290 6.361 1.00 1.87 H new ATOM 0 HG3 ARG A 76 -2.321 17.249 7.744 1.00 1.87 H new ATOM 0 HD2 ARG A 76 -0.781 16.759 5.176 1.00 1.87 H new ATOM 0 HD3 ARG A 76 -1.346 18.289 5.817 1.00 1.87 H new ATOM 0 HE ARG A 76 0.396 17.259 7.771 1.00 1.93 H new ATOM 0 HH11 ARG A 76 0.565 18.198 4.364 1.00 1.96 H new ATOM 0 HH12 ARG A 76 2.267 18.663 4.460 1.00 1.96 H new ATOM 0 HH21 ARG A 76 2.574 17.852 7.882 1.00 2.07 H new ATOM 0 HH22 ARG A 76 3.401 18.467 6.448 1.00 2.07 H new ATOM 1016 N LEU A 77 -2.562 12.554 6.887 1.00 1.71 N ATOM 1017 CA LEU A 77 -3.218 11.652 5.953 1.00 1.60 C ATOM 1018 C LEU A 77 -4.459 11.043 6.588 1.00 1.68 C ATOM 1019 O LEU A 77 -5.506 10.958 5.954 1.00 1.64 O ATOM 1020 CB LEU A 77 -2.260 10.543 5.509 1.00 1.54 C ATOM 1021 CG LEU A 77 -1.230 10.958 4.461 1.00 1.54 C ATOM 1022 CD1 LEU A 77 -0.137 9.909 4.340 1.00 1.54 C ATOM 1023 CD2 LEU A 77 -1.901 11.175 3.116 1.00 1.48 C ATOM 0 H LEU A 77 -1.615 12.273 7.143 1.00 1.71 H new ATOM 0 HA LEU A 77 -3.515 12.227 5.076 1.00 1.60 H new ATOM 0 HB2 LEU A 77 -1.732 10.168 6.386 1.00 1.54 H new ATOM 0 HB3 LEU A 77 -2.847 9.715 5.111 1.00 1.54 H new ATOM 0 HG LEU A 77 -0.775 11.896 4.780 1.00 1.54 H new ATOM 0 HD11 LEU A 77 0.587 10.223 3.588 1.00 1.54 H new ATOM 0 HD12 LEU A 77 0.364 9.793 5.301 1.00 1.54 H new ATOM 0 HD13 LEU A 77 -0.578 8.957 4.044 1.00 1.54 H new ATOM 0 HD21 LEU A 77 -1.153 11.470 2.380 1.00 1.48 H new ATOM 0 HD22 LEU A 77 -2.381 10.250 2.795 1.00 1.48 H new ATOM 0 HD23 LEU A 77 -2.651 11.960 3.206 1.00 1.48 H new ATOM 1035 N ILE A 78 -4.332 10.626 7.849 1.00 1.83 N ATOM 1036 CA ILE A 78 -5.446 10.035 8.579 1.00 1.97 C ATOM 1037 C ILE A 78 -6.603 11.023 8.677 1.00 2.02 C ATOM 1038 O ILE A 78 -7.763 10.654 8.502 1.00 2.06 O ATOM 1039 CB ILE A 78 -5.031 9.588 10.000 1.00 2.15 C ATOM 1040 CG1 ILE A 78 -3.893 8.568 9.931 1.00 2.14 C ATOM 1041 CG2 ILE A 78 -6.224 8.996 10.739 1.00 2.30 C ATOM 1042 CD1 ILE A 78 -3.336 8.182 11.286 1.00 2.32 C ATOM 0 H ILE A 78 -3.466 10.688 8.384 1.00 1.83 H new ATOM 0 HA ILE A 78 -5.762 9.153 8.023 1.00 1.97 H new ATOM 0 HB ILE A 78 -4.680 10.463 10.547 1.00 2.15 H new ATOM 0 HG12 ILE A 78 -4.252 7.671 9.427 1.00 2.14 H new ATOM 0 HG13 ILE A 78 -3.088 8.976 9.320 1.00 2.14 H new ATOM 0 HG21 ILE A 78 -5.916 8.686 11.738 1.00 2.30 H new ATOM 0 HG22 ILE A 78 -7.011 9.746 10.818 1.00 2.30 H new ATOM 0 HG23 ILE A 78 -6.600 8.132 10.191 1.00 2.30 H new ATOM 0 HD11 ILE A 78 -2.533 7.456 11.156 1.00 2.32 H new ATOM 0 HD12 ILE A 78 -2.946 9.069 11.785 1.00 2.32 H new ATOM 0 HD13 ILE A 78 -4.128 7.743 11.893 1.00 2.32 H new ATOM 1054 N ARG A 79 -6.280 12.286 8.944 1.00 2.05 N ATOM 1055 CA ARG A 79 -7.302 13.321 9.040 1.00 2.13 C ATOM 1056 C ARG A 79 -8.038 13.449 7.710 1.00 2.00 C ATOM 1057 O ARG A 79 -9.266 13.558 7.670 1.00 2.07 O ATOM 1058 CB ARG A 79 -6.684 14.665 9.438 1.00 2.17 C ATOM 1059 CG ARG A 79 -7.713 15.766 9.648 1.00 2.97 C ATOM 1060 CD ARG A 79 -7.101 16.982 10.327 1.00 3.00 C ATOM 1061 NE ARG A 79 -8.082 18.050 10.524 1.00 3.02 N ATOM 1062 CZ ARG A 79 -8.685 18.308 11.685 1.00 3.11 C ATOM 1063 NH1 ARG A 79 -8.434 17.564 12.758 1.00 3.40 N ATOM 1064 NH2 ARG A 79 -9.548 19.311 11.774 1.00 3.17 N ATOM 0 H ARG A 79 -5.326 12.614 9.096 1.00 2.05 H new ATOM 0 HA ARG A 79 -8.013 13.034 9.815 1.00 2.13 H new ATOM 0 HB2 ARG A 79 -6.110 14.535 10.355 1.00 2.17 H new ATOM 0 HB3 ARG A 79 -5.982 14.977 8.664 1.00 2.17 H new ATOM 0 HG2 ARG A 79 -8.135 16.059 8.686 1.00 2.97 H new ATOM 0 HG3 ARG A 79 -8.535 15.386 10.254 1.00 2.97 H new ATOM 0 HD2 ARG A 79 -6.686 16.688 11.291 1.00 3.00 H new ATOM 0 HD3 ARG A 79 -6.274 17.356 9.724 1.00 3.00 H new ATOM 0 HE ARG A 79 -8.320 18.634 9.722 1.00 3.02 H new ATOM 0 HH11 ARG A 79 -7.775 16.788 12.698 1.00 3.40 H new ATOM 0 HH12 ARG A 79 -8.900 17.769 13.642 1.00 3.40 H new ATOM 0 HH21 ARG A 79 -9.750 19.884 10.955 1.00 3.17 H new ATOM 0 HH22 ARG A 79 -10.010 19.509 12.662 1.00 3.17 H new ATOM 1078 N ASN A 80 -7.283 13.415 6.618 1.00 1.82 N ATOM 1079 CA ASN A 80 -7.868 13.505 5.286 1.00 1.69 C ATOM 1080 C ASN A 80 -8.670 12.242 4.986 1.00 1.65 C ATOM 1081 O ASN A 80 -9.724 12.294 4.356 1.00 1.63 O ATOM 1082 CB ASN A 80 -6.778 13.702 4.231 1.00 1.56 C ATOM 1083 CG ASN A 80 -7.347 13.973 2.850 1.00 1.67 C ATOM 1084 OD1 ASN A 80 -7.751 15.095 2.539 1.00 1.97 O ATOM 1085 ND2 ASN A 80 -7.373 12.951 2.009 1.00 2.09 N ATOM 0 H ASN A 80 -6.267 13.326 6.629 1.00 1.82 H new ATOM 0 HA ASN A 80 -8.535 14.367 5.255 1.00 1.69 H new ATOM 0 HB2 ASN A 80 -6.138 14.533 4.526 1.00 1.56 H new ATOM 0 HB3 ASN A 80 -6.149 12.813 4.193 1.00 1.56 H new ATOM 0 HD21 ASN A 80 -7.737 13.077 1.065 1.00 2.09 H new ATOM 0 HD22 ASN A 80 -7.029 12.038 2.305 1.00 2.09 H new ATOM 1092 N LEU A 81 -8.166 11.108 5.463 1.00 1.66 N ATOM 1093 CA LEU A 81 -8.832 9.827 5.266 1.00 1.66 C ATOM 1094 C LEU A 81 -10.183 9.825 5.963 1.00 1.81 C ATOM 1095 O LEU A 81 -11.131 9.216 5.477 1.00 1.74 O ATOM 1096 CB LEU A 81 -7.964 8.675 5.785 1.00 1.71 C ATOM 1097 CG LEU A 81 -7.347 7.774 4.704 1.00 1.68 C ATOM 1098 CD1 LEU A 81 -8.434 7.064 3.909 1.00 2.03 C ATOM 1099 CD2 LEU A 81 -6.448 8.580 3.778 1.00 1.48 C ATOM 0 H LEU A 81 -7.295 11.051 5.991 1.00 1.66 H new ATOM 0 HA LEU A 81 -8.986 9.682 4.197 1.00 1.66 H new ATOM 0 HB2 LEU A 81 -7.158 9.093 6.388 1.00 1.71 H new ATOM 0 HB3 LEU A 81 -8.570 8.056 6.447 1.00 1.71 H new ATOM 0 HG LEU A 81 -6.737 7.019 5.200 1.00 1.68 H new ATOM 0 HD11 LEU A 81 -7.975 6.432 3.149 1.00 2.03 H new ATOM 0 HD12 LEU A 81 -9.032 6.448 4.580 1.00 2.03 H new ATOM 0 HD13 LEU A 81 -9.074 7.803 3.427 1.00 2.03 H new ATOM 0 HD21 LEU A 81 -6.022 7.922 3.021 1.00 1.48 H new ATOM 0 HD22 LEU A 81 -7.033 9.361 3.292 1.00 1.48 H new ATOM 0 HD23 LEU A 81 -5.644 9.035 4.357 1.00 1.48 H new ATOM 1111 N ASN A 82 -10.264 10.508 7.104 1.00 2.03 N ATOM 1112 CA ASN A 82 -11.518 10.609 7.845 1.00 2.21 C ATOM 1113 C ASN A 82 -12.565 11.283 6.966 1.00 2.15 C ATOM 1114 O ASN A 82 -13.721 10.863 6.922 1.00 2.20 O ATOM 1115 CB ASN A 82 -11.319 11.400 9.145 1.00 2.43 C ATOM 1116 CG ASN A 82 -12.581 11.470 9.991 1.00 2.82 C ATOM 1117 OD1 ASN A 82 -12.894 10.543 10.741 1.00 2.64 O ATOM 1118 ND2 ASN A 82 -13.305 12.578 9.898 1.00 3.59 N ATOM 0 H ASN A 82 -9.479 10.997 7.533 1.00 2.03 H new ATOM 0 HA ASN A 82 -11.858 9.608 8.112 1.00 2.21 H new ATOM 0 HB2 ASN A 82 -10.522 10.938 9.727 1.00 2.43 H new ATOM 0 HB3 ASN A 82 -10.992 12.411 8.903 1.00 2.43 H new ATOM 0 HD21 ASN A 82 -14.151 12.683 10.458 1.00 3.59 H new ATOM 0 HD22 ASN A 82 -13.016 13.325 9.266 1.00 3.59 H new ATOM 1125 N VAL A 83 -12.137 12.319 6.250 1.00 2.06 N ATOM 1126 CA VAL A 83 -13.019 13.042 5.342 1.00 2.03 C ATOM 1127 C VAL A 83 -13.477 12.111 4.225 1.00 1.86 C ATOM 1128 O VAL A 83 -14.649 12.079 3.863 1.00 1.92 O ATOM 1129 CB VAL A 83 -12.313 14.267 4.719 1.00 1.99 C ATOM 1130 CG1 VAL A 83 -13.297 15.116 3.926 1.00 2.00 C ATOM 1131 CG2 VAL A 83 -11.626 15.098 5.791 1.00 2.17 C ATOM 0 H VAL A 83 -11.182 12.676 6.282 1.00 2.06 H new ATOM 0 HA VAL A 83 -13.874 13.394 5.918 1.00 2.03 H new ATOM 0 HB VAL A 83 -11.550 13.902 4.031 1.00 1.99 H new ATOM 0 HG11 VAL A 83 -12.776 15.972 3.497 1.00 2.00 H new ATOM 0 HG12 VAL A 83 -13.731 14.517 3.125 1.00 2.00 H new ATOM 0 HG13 VAL A 83 -14.089 15.467 4.587 1.00 2.00 H new ATOM 0 HG21 VAL A 83 -11.136 15.955 5.329 1.00 2.17 H new ATOM 0 HG22 VAL A 83 -12.366 15.448 6.510 1.00 2.17 H new ATOM 0 HG23 VAL A 83 -10.882 14.488 6.304 1.00 2.17 H new ATOM 1141 N ILE A 84 -12.532 11.339 3.699 1.00 1.66 N ATOM 1142 CA ILE A 84 -12.805 10.388 2.629 1.00 1.50 C ATOM 1143 C ILE A 84 -13.774 9.301 3.101 1.00 1.61 C ATOM 1144 O ILE A 84 -14.735 8.968 2.409 1.00 1.59 O ATOM 1145 CB ILE A 84 -11.496 9.734 2.124 1.00 1.31 C ATOM 1146 CG1 ILE A 84 -10.574 10.802 1.524 1.00 1.21 C ATOM 1147 CG2 ILE A 84 -11.792 8.645 1.101 1.00 1.16 C ATOM 1148 CD1 ILE A 84 -9.249 10.257 1.033 1.00 1.08 C ATOM 0 H ILE A 84 -11.558 11.355 4.002 1.00 1.66 H new ATOM 0 HA ILE A 84 -13.264 10.938 1.808 1.00 1.50 H new ATOM 0 HB ILE A 84 -10.992 9.269 2.971 1.00 1.31 H new ATOM 0 HG12 ILE A 84 -11.087 11.287 0.694 1.00 1.21 H new ATOM 0 HG13 ILE A 84 -10.385 11.570 2.275 1.00 1.21 H new ATOM 0 HG21 ILE A 84 -10.856 8.201 0.761 1.00 1.16 H new ATOM 0 HG22 ILE A 84 -12.414 7.876 1.558 1.00 1.16 H new ATOM 0 HG23 ILE A 84 -12.318 9.078 0.250 1.00 1.16 H new ATOM 0 HD11 ILE A 84 -8.651 11.070 0.622 1.00 1.08 H new ATOM 0 HD12 ILE A 84 -8.714 9.797 1.864 1.00 1.08 H new ATOM 0 HD13 ILE A 84 -9.427 9.511 0.259 1.00 1.08 H new ATOM 1160 N LEU A 85 -13.525 8.768 4.290 1.00 1.76 N ATOM 1161 CA LEU A 85 -14.373 7.722 4.850 1.00 1.92 C ATOM 1162 C LEU A 85 -15.788 8.235 5.097 1.00 2.07 C ATOM 1163 O LEU A 85 -16.760 7.516 4.886 1.00 2.15 O ATOM 1164 CB LEU A 85 -13.776 7.179 6.151 1.00 2.07 C ATOM 1165 CG LEU A 85 -12.527 6.310 5.983 1.00 1.97 C ATOM 1166 CD1 LEU A 85 -11.948 5.947 7.340 1.00 2.15 C ATOM 1167 CD2 LEU A 85 -12.853 5.053 5.188 1.00 2.00 C ATOM 0 H LEU A 85 -12.744 9.042 4.885 1.00 1.76 H new ATOM 0 HA LEU A 85 -14.424 6.912 4.122 1.00 1.92 H new ATOM 0 HB2 LEU A 85 -13.529 8.021 6.798 1.00 2.07 H new ATOM 0 HB3 LEU A 85 -14.539 6.595 6.666 1.00 2.07 H new ATOM 0 HG LEU A 85 -11.781 6.881 5.430 1.00 1.97 H new ATOM 0 HD11 LEU A 85 -11.061 5.329 7.203 1.00 2.15 H new ATOM 0 HD12 LEU A 85 -11.678 6.857 7.875 1.00 2.15 H new ATOM 0 HD13 LEU A 85 -12.690 5.394 7.916 1.00 2.15 H new ATOM 0 HD21 LEU A 85 -11.953 4.448 5.079 1.00 2.00 H new ATOM 0 HD22 LEU A 85 -13.615 4.478 5.713 1.00 2.00 H new ATOM 0 HD23 LEU A 85 -13.224 5.332 4.202 1.00 2.00 H new ATOM 1179 N ALA A 86 -15.900 9.483 5.525 1.00 2.12 N ATOM 1180 CA ALA A 86 -17.201 10.081 5.790 1.00 2.29 C ATOM 1181 C ALA A 86 -17.856 10.564 4.498 1.00 2.17 C ATOM 1182 O ALA A 86 -19.024 10.950 4.486 1.00 2.36 O ATOM 1183 CB ALA A 86 -17.063 11.228 6.781 1.00 2.48 C ATOM 0 H ALA A 86 -15.107 10.101 5.696 1.00 2.12 H new ATOM 0 HA ALA A 86 -17.844 9.317 6.227 1.00 2.29 H new ATOM 0 HB1 ALA A 86 -18.043 11.666 6.970 1.00 2.48 H new ATOM 0 HB2 ALA A 86 -16.647 10.853 7.716 1.00 2.48 H new ATOM 0 HB3 ALA A 86 -16.400 11.988 6.368 1.00 2.48 H new ATOM 1189 N LYS A 87 -17.101 10.532 3.409 1.00 1.90 N ATOM 1190 CA LYS A 87 -17.608 10.982 2.124 1.00 1.83 C ATOM 1191 C LYS A 87 -17.997 9.810 1.222 1.00 1.72 C ATOM 1192 O LYS A 87 -19.017 9.863 0.540 1.00 1.73 O ATOM 1193 CB LYS A 87 -16.556 11.846 1.424 1.00 1.79 C ATOM 1194 CG LYS A 87 -17.099 12.682 0.277 1.00 1.67 C ATOM 1195 CD LYS A 87 -15.970 13.320 -0.518 1.00 1.63 C ATOM 1196 CE LYS A 87 -16.501 14.161 -1.666 1.00 1.97 C ATOM 1197 NZ LYS A 87 -15.573 14.172 -2.827 1.00 1.83 N ATOM 0 H LYS A 87 -16.137 10.199 3.391 1.00 1.90 H new ATOM 0 HA LYS A 87 -18.507 11.570 2.311 1.00 1.83 H new ATOM 0 HB2 LYS A 87 -16.100 12.510 2.159 1.00 1.79 H new ATOM 0 HB3 LYS A 87 -15.765 11.199 1.045 1.00 1.79 H new ATOM 0 HG2 LYS A 87 -17.702 12.055 -0.380 1.00 1.67 H new ATOM 0 HG3 LYS A 87 -17.756 13.458 0.668 1.00 1.67 H new ATOM 0 HD2 LYS A 87 -15.367 13.943 0.142 1.00 1.63 H new ATOM 0 HD3 LYS A 87 -15.314 12.542 -0.909 1.00 1.63 H new ATOM 0 HE2 LYS A 87 -17.470 13.774 -1.981 1.00 1.97 H new ATOM 0 HE3 LYS A 87 -16.663 15.183 -1.322 1.00 1.97 H new ATOM 0 HZ1 LYS A 87 -16.121 14.132 -3.710 1.00 1.83 H new ATOM 0 HZ2 LYS A 87 -15.007 15.044 -2.811 1.00 1.83 H new ATOM 0 HZ3 LYS A 87 -14.941 13.348 -2.774 1.00 1.83 H new ATOM 1211 N TYR A 88 -17.199 8.749 1.226 1.00 1.66 N ATOM 1212 CA TYR A 88 -17.483 7.600 0.370 1.00 1.60 C ATOM 1213 C TYR A 88 -17.878 6.357 1.168 1.00 1.66 C ATOM 1214 O TYR A 88 -18.458 5.430 0.610 1.00 1.67 O ATOM 1215 CB TYR A 88 -16.268 7.287 -0.507 1.00 1.56 C ATOM 1216 CG TYR A 88 -15.745 8.485 -1.279 1.00 1.46 C ATOM 1217 CD1 TYR A 88 -16.324 8.877 -2.481 1.00 1.41 C ATOM 1218 CD2 TYR A 88 -14.672 9.225 -0.798 1.00 1.48 C ATOM 1219 CE1 TYR A 88 -15.847 9.971 -3.179 1.00 1.37 C ATOM 1220 CE2 TYR A 88 -14.189 10.318 -1.492 1.00 1.43 C ATOM 1221 CZ TYR A 88 -14.779 10.687 -2.681 1.00 1.36 C ATOM 1222 OH TYR A 88 -14.310 11.783 -3.369 1.00 1.36 O ATOM 0 H TYR A 88 -16.362 8.658 1.802 1.00 1.66 H new ATOM 0 HA TYR A 88 -18.335 7.869 -0.254 1.00 1.60 H new ATOM 0 HB2 TYR A 88 -15.469 6.895 0.122 1.00 1.56 H new ATOM 0 HB3 TYR A 88 -16.534 6.500 -1.212 1.00 1.56 H new ATOM 0 HD1 TYR A 88 -17.160 8.318 -2.876 1.00 1.41 H new ATOM 0 HD2 TYR A 88 -14.207 8.941 0.135 1.00 1.48 H new ATOM 0 HE1 TYR A 88 -16.309 10.264 -4.110 1.00 1.37 H new ATOM 0 HE2 TYR A 88 -13.353 10.880 -1.104 1.00 1.43 H new ATOM 0 HH TYR A 88 -13.350 11.886 -3.204 1.00 1.36 H new ATOM 1232 N GLY A 89 -17.568 6.343 2.465 1.00 1.73 N ATOM 1233 CA GLY A 89 -17.902 5.199 3.310 1.00 1.83 C ATOM 1234 C GLY A 89 -17.380 3.885 2.755 1.00 1.72 C ATOM 1235 O GLY A 89 -18.159 2.983 2.450 1.00 1.80 O ATOM 0 H GLY A 89 -17.091 7.104 2.949 1.00 1.73 H new ATOM 0 HA2 GLY A 89 -17.490 5.357 4.307 1.00 1.83 H new ATOM 0 HA3 GLY A 89 -18.985 5.138 3.419 1.00 1.83 H new ATOM 1239 N LEU A 90 -16.063 3.769 2.646 1.00 1.58 N ATOM 1240 CA LEU A 90 -15.449 2.569 2.085 1.00 1.52 C ATOM 1241 C LEU A 90 -14.766 1.707 3.149 1.00 1.64 C ATOM 1242 O LEU A 90 -13.799 1.008 2.853 1.00 1.71 O ATOM 1243 CB LEU A 90 -14.434 2.963 1.004 1.00 1.43 C ATOM 1244 CG LEU A 90 -15.038 3.383 -0.338 1.00 1.40 C ATOM 1245 CD1 LEU A 90 -13.981 4.036 -1.212 1.00 1.48 C ATOM 1246 CD2 LEU A 90 -15.645 2.185 -1.051 1.00 1.45 C ATOM 0 H LEU A 90 -15.400 4.487 2.937 1.00 1.58 H new ATOM 0 HA LEU A 90 -16.248 1.970 1.649 1.00 1.52 H new ATOM 0 HB2 LEU A 90 -13.825 3.784 1.383 1.00 1.43 H new ATOM 0 HB3 LEU A 90 -13.763 2.121 0.834 1.00 1.43 H new ATOM 0 HG LEU A 90 -15.830 4.107 -0.146 1.00 1.40 H new ATOM 0 HD11 LEU A 90 -14.426 4.329 -2.163 1.00 1.48 H new ATOM 0 HD12 LEU A 90 -13.587 4.919 -0.708 1.00 1.48 H new ATOM 0 HD13 LEU A 90 -13.171 3.329 -1.393 1.00 1.48 H new ATOM 0 HD21 LEU A 90 -16.069 2.505 -2.003 1.00 1.45 H new ATOM 0 HD22 LEU A 90 -14.872 1.438 -1.231 1.00 1.45 H new ATOM 0 HD23 LEU A 90 -16.430 1.752 -0.431 1.00 1.45 H new ATOM 1258 N ASP A 91 -15.269 1.742 4.376 1.00 2.19 N ATOM 1259 CA ASP A 91 -14.688 0.938 5.449 1.00 2.40 C ATOM 1260 C ASP A 91 -15.341 -0.439 5.483 1.00 2.68 C ATOM 1261 O ASP A 91 -16.281 -0.707 4.731 1.00 3.53 O ATOM 1262 CB ASP A 91 -14.832 1.630 6.812 1.00 3.58 C ATOM 1263 CG ASP A 91 -16.219 1.486 7.416 1.00 4.52 C ATOM 1264 OD1 ASP A 91 -17.095 2.320 7.109 1.00 5.14 O ATOM 1265 OD2 ASP A 91 -16.436 0.552 8.218 1.00 4.79 O ATOM 0 H ASP A 91 -16.069 2.311 4.654 1.00 2.19 H new ATOM 0 HA ASP A 91 -13.623 0.825 5.246 1.00 2.40 H new ATOM 0 HB2 ASP A 91 -14.098 1.214 7.502 1.00 3.58 H new ATOM 0 HB3 ASP A 91 -14.600 2.689 6.700 1.00 3.58 H new ATOM 1270 N GLY A 92 -14.837 -1.312 6.339 1.00 2.59 N ATOM 1271 CA GLY A 92 -15.386 -2.646 6.442 1.00 3.42 C ATOM 1272 C GLY A 92 -15.048 -3.301 7.763 1.00 3.75 C ATOM 1273 O GLY A 92 -13.872 -3.459 8.087 1.00 4.05 O ATOM 0 H GLY A 92 -14.056 -1.120 6.966 1.00 2.59 H new ATOM 0 HA2 GLY A 92 -16.469 -2.602 6.327 1.00 3.42 H new ATOM 0 HA3 GLY A 92 -15.003 -3.259 5.626 1.00 3.42 H new ATOM 1277 N LYS A 93 -16.085 -3.656 8.523 1.00 4.13 N ATOM 1278 CA LYS A 93 -15.930 -4.303 9.828 1.00 4.71 C ATOM 1279 C LYS A 93 -14.996 -3.493 10.730 1.00 5.19 C ATOM 1280 O LYS A 93 -14.041 -4.021 11.294 1.00 5.61 O ATOM 1281 CB LYS A 93 -15.420 -5.745 9.661 1.00 4.82 C ATOM 1282 CG LYS A 93 -15.646 -6.633 10.881 1.00 4.92 C ATOM 1283 CD LYS A 93 -15.233 -8.073 10.607 1.00 4.98 C ATOM 1284 CE LYS A 93 -15.116 -8.887 11.890 1.00 5.40 C ATOM 1285 NZ LYS A 93 -14.396 -10.173 11.675 1.00 5.78 N ATOM 0 H LYS A 93 -17.056 -3.503 8.252 1.00 4.13 H new ATOM 0 HA LYS A 93 -16.908 -4.343 10.308 1.00 4.71 H new ATOM 0 HB2 LYS A 93 -15.914 -6.196 8.801 1.00 4.82 H new ATOM 0 HB3 LYS A 93 -14.353 -5.718 9.438 1.00 4.82 H new ATOM 0 HG2 LYS A 93 -15.077 -6.245 11.726 1.00 4.92 H new ATOM 0 HG3 LYS A 93 -16.698 -6.603 11.165 1.00 4.92 H new ATOM 0 HD2 LYS A 93 -15.963 -8.540 9.946 1.00 4.98 H new ATOM 0 HD3 LYS A 93 -14.277 -8.083 10.083 1.00 4.98 H new ATOM 0 HE2 LYS A 93 -14.592 -8.300 12.644 1.00 5.40 H new ATOM 0 HE3 LYS A 93 -16.113 -9.091 12.281 1.00 5.40 H new ATOM 0 HZ1 LYS A 93 -13.729 -10.333 12.457 1.00 5.78 H new ATOM 0 HZ2 LYS A 93 -15.082 -10.954 11.640 1.00 5.78 H new ATOM 0 HZ3 LYS A 93 -13.873 -10.132 10.777 1.00 5.78 H new ATOM 1299 N LYS A 94 -15.290 -2.203 10.866 1.00 5.35 N ATOM 1300 CA LYS A 94 -14.482 -1.305 11.692 1.00 5.92 C ATOM 1301 C LYS A 94 -14.475 -1.755 13.154 1.00 6.67 C ATOM 1302 O LYS A 94 -13.545 -1.456 13.905 1.00 7.12 O ATOM 1303 CB LYS A 94 -15.010 0.130 11.585 1.00 5.99 C ATOM 1304 CG LYS A 94 -16.503 0.250 11.855 1.00 6.02 C ATOM 1305 CD LYS A 94 -17.058 1.574 11.359 1.00 5.97 C ATOM 1306 CE LYS A 94 -18.487 1.429 10.859 1.00 6.03 C ATOM 1307 NZ LYS A 94 -18.585 0.466 9.731 1.00 6.61 N ATOM 0 H LYS A 94 -16.085 -1.753 10.413 1.00 5.35 H new ATOM 0 HA LYS A 94 -13.457 -1.338 11.323 1.00 5.92 H new ATOM 0 HB2 LYS A 94 -14.470 0.761 12.291 1.00 5.99 H new ATOM 0 HB3 LYS A 94 -14.797 0.513 10.587 1.00 5.99 H new ATOM 0 HG2 LYS A 94 -17.028 -0.571 11.367 1.00 6.02 H new ATOM 0 HG3 LYS A 94 -16.688 0.155 12.925 1.00 6.02 H new ATOM 0 HD2 LYS A 94 -17.026 2.307 12.165 1.00 5.97 H new ATOM 0 HD3 LYS A 94 -16.428 1.956 10.556 1.00 5.97 H new ATOM 0 HE2 LYS A 94 -19.126 1.096 11.677 1.00 6.03 H new ATOM 0 HE3 LYS A 94 -18.860 2.402 10.539 1.00 6.03 H new ATOM 0 HZ1 LYS A 94 -19.440 0.669 9.174 1.00 6.61 H new ATOM 0 HZ2 LYS A 94 -17.746 0.557 9.123 1.00 6.61 H new ATOM 0 HZ3 LYS A 94 -18.638 -0.503 10.105 1.00 6.61 H new ATOM 1321 N ASP A 95 -15.519 -2.476 13.539 1.00 7.05 N ATOM 1322 CA ASP A 95 -15.661 -2.989 14.896 1.00 7.91 C ATOM 1323 C ASP A 95 -16.675 -4.125 14.899 1.00 8.28 C ATOM 1324 O ASP A 95 -16.361 -5.258 15.270 1.00 8.75 O ATOM 1325 CB ASP A 95 -16.081 -1.861 15.850 1.00 8.58 C ATOM 1326 CG ASP A 95 -16.904 -2.337 17.034 1.00 9.16 C ATOM 1327 OD1 ASP A 95 -16.351 -3.064 17.885 1.00 9.06 O ATOM 1328 OD2 ASP A 95 -18.110 -2.020 17.101 1.00 9.92 O ATOM 0 H ASP A 95 -16.292 -2.722 12.920 1.00 7.05 H new ATOM 0 HA ASP A 95 -14.704 -3.376 15.246 1.00 7.91 H new ATOM 0 HB2 ASP A 95 -15.187 -1.358 16.219 1.00 8.58 H new ATOM 0 HB3 ASP A 95 -16.656 -1.121 15.293 1.00 8.58 H new ATOM 1333 N ALA A 96 -17.884 -3.818 14.454 1.00 8.27 N ATOM 1334 CA ALA A 96 -18.950 -4.806 14.383 1.00 8.76 C ATOM 1335 C ALA A 96 -19.393 -4.980 12.939 1.00 9.53 C ATOM 1336 O ALA A 96 -19.592 -6.097 12.467 1.00 10.05 O ATOM 1337 CB ALA A 96 -20.126 -4.388 15.256 1.00 9.17 C ATOM 0 H ALA A 96 -18.152 -2.887 14.135 1.00 8.27 H new ATOM 0 HA ALA A 96 -18.574 -5.759 14.755 1.00 8.76 H new ATOM 0 HB1 ALA A 96 -20.913 -5.139 15.190 1.00 9.17 H new ATOM 0 HB2 ALA A 96 -19.797 -4.298 16.291 1.00 9.17 H new ATOM 0 HB3 ALA A 96 -20.511 -3.428 14.913 1.00 9.17 H new ATOM 1343 N ARG A 97 -19.523 -3.864 12.239 1.00 9.76 N ATOM 1344 CA ARG A 97 -19.933 -3.875 10.848 1.00 10.64 C ATOM 1345 C ARG A 97 -19.139 -2.831 10.076 1.00 10.65 C ATOM 1346 O ARG A 97 -18.490 -1.991 10.729 1.00 10.42 O ATOM 1347 CB ARG A 97 -21.434 -3.593 10.737 1.00 11.04 C ATOM 1348 CG ARG A 97 -22.018 -3.912 9.371 1.00 11.39 C ATOM 1349 CD ARG A 97 -21.938 -5.399 9.058 1.00 11.47 C ATOM 1350 NE ARG A 97 -23.258 -5.981 8.815 1.00 11.29 N ATOM 1351 CZ ARG A 97 -23.541 -7.275 8.965 1.00 11.65 C ATOM 1352 NH1 ARG A 97 -22.601 -8.120 9.367 1.00 12.21 N ATOM 1353 NH2 ARG A 97 -24.766 -7.722 8.715 1.00 11.64 N ATOM 1354 OXT ARG A 97 -19.165 -2.851 8.830 1.00 11.05 O ATOM 0 H ARG A 97 -19.348 -2.933 12.617 1.00 9.76 H new ATOM 0 HA ARG A 97 -19.736 -4.859 10.423 1.00 10.64 H new ATOM 0 HB2 ARG A 97 -21.961 -4.176 11.492 1.00 11.04 H new ATOM 0 HB3 ARG A 97 -21.615 -2.542 10.963 1.00 11.04 H new ATOM 0 HG2 ARG A 97 -23.058 -3.588 9.335 1.00 11.39 H new ATOM 0 HG3 ARG A 97 -21.483 -3.350 8.606 1.00 11.39 H new ATOM 0 HD2 ARG A 97 -21.308 -5.551 8.182 1.00 11.47 H new ATOM 0 HD3 ARG A 97 -21.460 -5.919 9.888 1.00 11.47 H new ATOM 0 HE ARG A 97 -24.007 -5.359 8.512 1.00 11.29 H new ATOM 0 HH11 ARG A 97 -21.659 -7.780 9.562 1.00 12.21 H new ATOM 0 HH12 ARG A 97 -22.820 -9.110 9.481 1.00 12.21 H new ATOM 0 HH21 ARG A 97 -25.492 -7.075 8.408 1.00 11.64 H new ATOM 0 HH22 ARG A 97 -24.981 -8.712 8.830 1.00 11.64 H new TER 1368 ARG A 97 ATOM 1369 N SER B 1 34.365 3.545 -2.880 1.00 4.88 N ATOM 1370 CA SER B 1 33.844 2.718 -1.771 1.00 4.13 C ATOM 1371 C SER B 1 32.881 1.663 -2.309 1.00 3.44 C ATOM 1372 O SER B 1 32.626 1.602 -3.514 1.00 3.69 O ATOM 1373 CB SER B 1 33.139 3.600 -0.732 1.00 4.05 C ATOM 1374 OG SER B 1 32.946 2.902 0.488 1.00 4.47 O ATOM 0 H1 SER B 1 35.397 3.433 -2.942 1.00 4.88 H new ATOM 0 H2 SER B 1 33.929 3.241 -3.774 1.00 4.88 H new ATOM 0 H3 SER B 1 34.136 4.544 -2.705 1.00 4.88 H new ATOM 0 HA SER B 1 34.682 2.215 -1.288 1.00 4.13 H new ATOM 0 HB2 SER B 1 33.731 4.497 -0.551 1.00 4.05 H new ATOM 0 HB3 SER B 1 32.176 3.927 -1.123 1.00 4.05 H new ATOM 0 HG SER B 1 32.497 3.488 1.132 1.00 4.47 H new ATOM 1382 N ALA B 2 32.363 0.824 -1.421 1.00 3.08 N ATOM 1383 CA ALA B 2 31.432 -0.221 -1.816 1.00 3.04 C ATOM 1384 C ALA B 2 30.049 0.364 -2.033 1.00 2.51 C ATOM 1385 O ALA B 2 29.445 0.190 -3.094 1.00 2.12 O ATOM 1386 CB ALA B 2 31.397 -1.325 -0.772 1.00 3.77 C ATOM 0 H ALA B 2 32.573 0.848 -0.423 1.00 3.08 H new ATOM 0 HA ALA B 2 31.771 -0.656 -2.756 1.00 3.04 H new ATOM 0 HB1 ALA B 2 30.695 -2.099 -1.084 1.00 3.77 H new ATOM 0 HB2 ALA B 2 32.392 -1.758 -0.667 1.00 3.77 H new ATOM 0 HB3 ALA B 2 31.079 -0.911 0.185 1.00 3.77 H new ATOM 1392 N ARG B 3 29.567 1.057 -1.012 1.00 3.00 N ATOM 1393 CA ARG B 3 28.257 1.709 -1.046 1.00 3.14 C ATOM 1394 C ARG B 3 27.151 0.701 -1.363 1.00 2.70 C ATOM 1395 O ARG B 3 26.182 1.025 -2.050 1.00 3.26 O ATOM 1396 CB ARG B 3 28.261 2.832 -2.095 1.00 3.78 C ATOM 1397 CG ARG B 3 27.342 3.997 -1.762 1.00 4.32 C ATOM 1398 CD ARG B 3 28.046 5.024 -0.897 1.00 5.30 C ATOM 1399 NE ARG B 3 27.160 6.123 -0.530 1.00 6.25 N ATOM 1400 CZ ARG B 3 27.016 7.237 -1.243 1.00 7.22 C ATOM 1401 NH1 ARG B 3 27.710 7.413 -2.361 1.00 7.43 N ATOM 1402 NH2 ARG B 3 26.172 8.176 -0.838 1.00 8.17 N ATOM 0 H ARG B 3 30.070 1.186 -0.134 1.00 3.00 H new ATOM 0 HA ARG B 3 28.059 2.133 -0.062 1.00 3.14 H new ATOM 0 HB2 ARG B 3 29.279 3.206 -2.207 1.00 3.78 H new ATOM 0 HB3 ARG B 3 27.967 2.415 -3.058 1.00 3.78 H new ATOM 0 HG2 ARG B 3 27.000 4.468 -2.684 1.00 4.32 H new ATOM 0 HG3 ARG B 3 26.456 3.628 -1.244 1.00 4.32 H new ATOM 0 HD2 ARG B 3 28.421 4.543 0.006 1.00 5.30 H new ATOM 0 HD3 ARG B 3 28.911 5.417 -1.431 1.00 5.30 H new ATOM 0 HE ARG B 3 26.616 6.032 0.328 1.00 6.25 H new ATOM 0 HH11 ARG B 3 28.358 6.692 -2.678 1.00 7.43 H new ATOM 0 HH12 ARG B 3 27.595 8.269 -2.903 1.00 7.43 H new ATOM 0 HH21 ARG B 3 25.635 8.044 0.019 1.00 8.17 H new ATOM 0 HH22 ARG B 3 26.060 9.031 -1.383 1.00 8.17 H new ATOM 1416 N THR B 4 27.293 -0.519 -0.858 1.00 2.47 N ATOM 1417 CA THR B 4 26.309 -1.560 -1.121 1.00 3.01 C ATOM 1418 C THR B 4 25.588 -2.028 0.137 1.00 3.20 C ATOM 1419 O THR B 4 24.607 -2.770 0.046 1.00 4.02 O ATOM 1420 CB THR B 4 26.968 -2.767 -1.805 1.00 3.84 C ATOM 1421 OG1 THR B 4 28.366 -2.807 -1.479 1.00 4.28 O ATOM 1422 CG2 THR B 4 26.798 -2.695 -3.311 1.00 4.25 C ATOM 0 H THR B 4 28.073 -0.809 -0.269 1.00 2.47 H new ATOM 0 HA THR B 4 25.565 -1.115 -1.782 1.00 3.01 H new ATOM 0 HB THR B 4 26.481 -3.673 -1.445 1.00 3.84 H new ATOM 0 HG1 THR B 4 28.782 -3.579 -1.916 1.00 4.28 H new ATOM 0 HG21 THR B 4 27.273 -3.561 -3.773 1.00 4.25 H new ATOM 0 HG22 THR B 4 25.736 -2.689 -3.557 1.00 4.25 H new ATOM 0 HG23 THR B 4 27.262 -1.783 -3.686 1.00 4.25 H new ATOM 1430 N CYS B 5 26.068 -1.587 1.299 1.00 2.68 N ATOM 1431 CA CYS B 5 25.478 -1.961 2.589 1.00 2.83 C ATOM 1432 C CYS B 5 25.752 -3.443 2.911 1.00 2.97 C ATOM 1433 O CYS B 5 25.901 -4.266 2.002 1.00 2.80 O ATOM 1434 CB CYS B 5 23.969 -1.668 2.598 1.00 2.56 C ATOM 1435 SG CYS B 5 23.345 -1.009 4.183 1.00 3.44 S ATOM 0 H CYS B 5 26.872 -0.964 1.376 1.00 2.68 H new ATOM 0 HA CYS B 5 25.948 -1.358 3.366 1.00 2.83 H new ATOM 0 HB2 CYS B 5 23.744 -0.953 1.806 1.00 2.56 H new ATOM 0 HB3 CYS B 5 23.430 -2.586 2.361 1.00 2.56 H new ATOM 1440 N PRO B 6 25.877 -3.794 4.212 1.00 3.37 N ATOM 1441 CA PRO B 6 26.127 -5.182 4.649 1.00 3.66 C ATOM 1442 C PRO B 6 25.075 -6.165 4.118 1.00 3.55 C ATOM 1443 O PRO B 6 23.955 -5.766 3.812 1.00 3.25 O ATOM 1444 CB PRO B 6 26.053 -5.099 6.179 1.00 4.26 C ATOM 1445 CG PRO B 6 26.339 -3.677 6.506 1.00 4.21 C ATOM 1446 CD PRO B 6 25.818 -2.864 5.353 1.00 3.63 C ATOM 0 HA PRO B 6 27.080 -5.555 4.274 1.00 3.66 H new ATOM 0 HB2 PRO B 6 25.069 -5.397 6.542 1.00 4.26 H new ATOM 0 HB3 PRO B 6 26.780 -5.764 6.645 1.00 4.26 H new ATOM 0 HG2 PRO B 6 25.852 -3.387 7.437 1.00 4.21 H new ATOM 0 HG3 PRO B 6 27.409 -3.517 6.642 1.00 4.21 H new ATOM 0 HD2 PRO B 6 24.800 -2.518 5.535 1.00 3.63 H new ATOM 0 HD3 PRO B 6 26.429 -1.978 5.179 1.00 3.63 H new ATOM 1454 N PRO B 7 25.416 -7.466 4.037 1.00 3.86 N ATOM 1455 CA PRO B 7 24.510 -8.516 3.528 1.00 3.97 C ATOM 1456 C PRO B 7 23.198 -8.640 4.307 1.00 4.34 C ATOM 1457 O PRO B 7 22.224 -9.208 3.808 1.00 5.29 O ATOM 1458 CB PRO B 7 25.329 -9.806 3.670 1.00 4.44 C ATOM 1459 CG PRO B 7 26.416 -9.478 4.635 1.00 4.69 C ATOM 1460 CD PRO B 7 26.720 -8.023 4.428 1.00 4.21 C ATOM 0 HA PRO B 7 24.198 -8.289 2.509 1.00 3.97 H new ATOM 0 HB2 PRO B 7 24.711 -10.626 4.037 1.00 4.44 H new ATOM 0 HB3 PRO B 7 25.737 -10.120 2.710 1.00 4.44 H new ATOM 0 HG2 PRO B 7 26.100 -9.670 5.660 1.00 4.69 H new ATOM 0 HG3 PRO B 7 27.298 -10.092 4.454 1.00 4.69 H new ATOM 0 HD2 PRO B 7 27.102 -7.557 5.336 1.00 4.21 H new ATOM 0 HD3 PRO B 7 27.472 -7.874 3.653 1.00 4.21 H new ATOM 1468 N ASN B 8 23.180 -8.131 5.533 1.00 3.68 N ATOM 1469 CA ASN B 8 21.976 -8.176 6.360 1.00 3.95 C ATOM 1470 C ASN B 8 20.996 -7.097 5.917 1.00 3.68 C ATOM 1471 O ASN B 8 19.835 -7.083 6.315 1.00 3.84 O ATOM 1472 CB ASN B 8 22.325 -7.969 7.833 1.00 4.38 C ATOM 1473 CG ASN B 8 21.390 -8.703 8.781 1.00 4.76 C ATOM 1474 OD1 ASN B 8 21.814 -9.200 9.826 1.00 4.72 O ATOM 1475 ND2 ASN B 8 20.114 -8.765 8.443 1.00 5.18 N ATOM 0 H ASN B 8 23.982 -7.683 5.977 1.00 3.68 H new ATOM 0 HA ASN B 8 21.517 -9.157 6.240 1.00 3.95 H new ATOM 0 HB2 ASN B 8 23.347 -8.306 8.008 1.00 4.38 H new ATOM 0 HB3 ASN B 8 22.298 -6.903 8.059 1.00 4.38 H new ATOM 0 HD21 ASN B 8 19.447 -9.235 9.055 1.00 5.18 H new ATOM 0 HD22 ASN B 8 19.796 -8.343 7.570 1.00 5.18 H new ATOM 1482 N GLN B 9 21.485 -6.191 5.098 1.00 3.29 N ATOM 1483 CA GLN B 9 20.690 -5.099 4.586 1.00 3.04 C ATOM 1484 C GLN B 9 20.945 -4.954 3.092 1.00 2.59 C ATOM 1485 O GLN B 9 21.473 -5.866 2.456 1.00 2.56 O ATOM 1486 CB GLN B 9 20.997 -3.795 5.337 1.00 3.20 C ATOM 1487 CG GLN B 9 22.419 -3.698 5.862 1.00 3.39 C ATOM 1488 CD GLN B 9 22.517 -3.917 7.362 1.00 3.91 C ATOM 1489 OE1 GLN B 9 21.606 -4.701 7.911 1.00 4.14 O flip ATOM 1490 NE2 GLN B 9 23.404 -3.376 8.021 1.00 4.13 N flip ATOM 0 H GLN B 9 22.450 -6.192 4.768 1.00 3.29 H new ATOM 0 HA GLN B 9 19.634 -5.316 4.745 1.00 3.04 H new ATOM 0 HB2 GLN B 9 20.809 -2.953 4.671 1.00 3.20 H new ATOM 0 HB3 GLN B 9 20.305 -3.700 6.174 1.00 3.20 H new ATOM 0 HG2 GLN B 9 23.039 -4.435 5.352 1.00 3.39 H new ATOM 0 HG3 GLN B 9 22.824 -2.716 5.617 1.00 3.39 H new ATOM 0 HE21 GLN B 9 24.089 -2.777 7.560 1.00 4.13 H new ATOM 0 HE22 GLN B 9 23.454 -3.526 9.029 1.00 4.13 H new ATOM 1499 N PHE B 10 20.589 -3.821 2.538 1.00 2.30 N ATOM 1500 CA PHE B 10 20.745 -3.588 1.119 1.00 1.89 C ATOM 1501 C PHE B 10 20.891 -2.088 0.859 1.00 1.86 C ATOM 1502 O PHE B 10 20.548 -1.272 1.715 1.00 2.10 O ATOM 1503 CB PHE B 10 19.530 -4.216 0.412 1.00 1.66 C ATOM 1504 CG PHE B 10 19.171 -3.647 -0.925 1.00 1.35 C ATOM 1505 CD1 PHE B 10 19.834 -4.040 -2.079 1.00 1.24 C ATOM 1506 CD2 PHE B 10 18.141 -2.738 -1.026 1.00 1.32 C ATOM 1507 CE1 PHE B 10 19.468 -3.526 -3.309 1.00 1.13 C ATOM 1508 CE2 PHE B 10 17.775 -2.222 -2.241 1.00 1.25 C ATOM 1509 CZ PHE B 10 18.435 -2.614 -3.388 1.00 1.17 C ATOM 0 H PHE B 10 20.185 -3.038 3.052 1.00 2.30 H new ATOM 0 HA PHE B 10 21.648 -4.052 0.723 1.00 1.89 H new ATOM 0 HB2 PHE B 10 19.719 -5.282 0.290 1.00 1.66 H new ATOM 0 HB3 PHE B 10 18.665 -4.119 1.068 1.00 1.66 H new ATOM 0 HD1 PHE B 10 20.643 -4.753 -2.016 1.00 1.24 H new ATOM 0 HD2 PHE B 10 17.615 -2.428 -0.135 1.00 1.32 H new ATOM 0 HE1 PHE B 10 19.988 -3.836 -4.203 1.00 1.13 H new ATOM 0 HE2 PHE B 10 16.968 -1.507 -2.302 1.00 1.25 H new ATOM 0 HZ PHE B 10 18.144 -2.208 -4.345 1.00 1.17 H new ATOM 1519 N SER B 11 21.398 -1.722 -0.306 1.00 1.69 N ATOM 1520 CA SER B 11 21.612 -0.331 -0.631 1.00 1.84 C ATOM 1521 C SER B 11 20.600 0.180 -1.642 1.00 1.70 C ATOM 1522 O SER B 11 20.475 -0.367 -2.737 1.00 1.57 O ATOM 1523 CB SER B 11 23.022 -0.145 -1.191 1.00 1.96 C ATOM 1524 OG SER B 11 23.237 -0.998 -2.306 1.00 2.76 O ATOM 0 H SER B 11 21.668 -2.375 -1.042 1.00 1.69 H new ATOM 0 HA SER B 11 21.489 0.244 0.287 1.00 1.84 H new ATOM 0 HB2 SER B 11 23.166 0.894 -1.489 1.00 1.96 H new ATOM 0 HB3 SER B 11 23.758 -0.360 -0.416 1.00 1.96 H new ATOM 0 HG SER B 11 22.392 -1.131 -2.784 1.00 2.76 H new ATOM 1530 N CYS B 12 19.870 1.223 -1.266 1.00 1.88 N ATOM 1531 CA CYS B 12 18.897 1.828 -2.160 1.00 2.02 C ATOM 1532 C CYS B 12 19.636 2.508 -3.323 1.00 2.28 C ATOM 1533 O CYS B 12 20.865 2.584 -3.310 1.00 2.55 O ATOM 1534 CB CYS B 12 17.984 2.799 -1.372 1.00 2.49 C ATOM 1535 SG CYS B 12 17.219 4.167 -2.324 1.00 2.09 S ATOM 0 H CYS B 12 19.935 1.665 -0.349 1.00 1.88 H new ATOM 0 HA CYS B 12 18.244 1.067 -2.588 1.00 2.02 H new ATOM 0 HB2 CYS B 12 17.186 2.217 -0.912 1.00 2.49 H new ATOM 0 HB3 CYS B 12 18.569 3.234 -0.562 1.00 2.49 H new ATOM 1540 N ALA B 13 18.873 3.005 -4.289 1.00 2.42 N ATOM 1541 CA ALA B 13 19.371 3.661 -5.508 1.00 2.74 C ATOM 1542 C ALA B 13 20.756 4.284 -5.405 1.00 2.86 C ATOM 1543 O ALA B 13 21.721 3.758 -5.960 1.00 2.98 O ATOM 1544 CB ALA B 13 18.371 4.725 -5.931 1.00 3.16 C ATOM 0 H ALA B 13 17.855 2.965 -4.251 1.00 2.42 H new ATOM 0 HA ALA B 13 19.474 2.867 -6.248 1.00 2.74 H new ATOM 0 HB1 ALA B 13 18.727 5.220 -6.834 1.00 3.16 H new ATOM 0 HB2 ALA B 13 17.406 4.259 -6.129 1.00 3.16 H new ATOM 0 HB3 ALA B 13 18.262 5.460 -5.133 1.00 3.16 H new ATOM 1550 N SER B 14 20.856 5.375 -4.690 1.00 3.02 N ATOM 1551 CA SER B 14 22.111 6.104 -4.572 1.00 3.19 C ATOM 1552 C SER B 14 23.086 5.511 -3.548 1.00 2.99 C ATOM 1553 O SER B 14 23.842 6.248 -2.908 1.00 3.48 O ATOM 1554 CB SER B 14 21.787 7.544 -4.227 1.00 4.33 C ATOM 1555 OG SER B 14 20.837 7.612 -3.176 1.00 5.07 O ATOM 0 H SER B 14 20.080 5.788 -4.173 1.00 3.02 H new ATOM 0 HA SER B 14 22.628 6.030 -5.529 1.00 3.19 H new ATOM 0 HB2 SER B 14 22.698 8.065 -3.933 1.00 4.33 H new ATOM 0 HB3 SER B 14 21.398 8.054 -5.108 1.00 4.33 H new ATOM 0 HG SER B 14 20.645 8.550 -2.969 1.00 5.07 H new ATOM 1561 N GLY B 15 23.095 4.194 -3.416 1.00 2.71 N ATOM 1562 CA GLY B 15 24.001 3.553 -2.482 1.00 3.31 C ATOM 1563 C GLY B 15 23.655 3.853 -1.038 1.00 3.34 C ATOM 1564 O GLY B 15 24.536 4.085 -0.208 1.00 3.55 O ATOM 0 H GLY B 15 22.493 3.557 -3.937 1.00 2.71 H new ATOM 0 HA2 GLY B 15 23.978 2.475 -2.641 1.00 3.31 H new ATOM 0 HA3 GLY B 15 25.020 3.884 -2.684 1.00 3.31 H new ATOM 1568 N ARG B 16 22.368 3.875 -0.743 1.00 3.18 N ATOM 1569 CA ARG B 16 21.904 4.137 0.612 1.00 3.24 C ATOM 1570 C ARG B 16 21.905 2.842 1.406 1.00 3.01 C ATOM 1571 O ARG B 16 22.620 1.904 1.068 1.00 2.90 O ATOM 1572 CB ARG B 16 20.509 4.767 0.594 1.00 3.18 C ATOM 1573 CG ARG B 16 20.343 5.843 -0.470 1.00 3.46 C ATOM 1574 CD ARG B 16 19.032 6.600 -0.312 1.00 3.60 C ATOM 1575 NE ARG B 16 18.990 7.359 0.938 1.00 4.29 N ATOM 1576 CZ ARG B 16 18.513 8.598 1.052 1.00 4.82 C ATOM 1577 NH1 ARG B 16 18.038 9.236 -0.012 1.00 4.94 N ATOM 1578 NH2 ARG B 16 18.530 9.205 2.230 1.00 5.55 N ATOM 0 H ARG B 16 21.624 3.715 -1.422 1.00 3.18 H new ATOM 0 HA ARG B 16 22.580 4.846 1.091 1.00 3.24 H new ATOM 0 HB2 ARG B 16 19.768 3.985 0.428 1.00 3.18 H new ATOM 0 HB3 ARG B 16 20.302 5.200 1.573 1.00 3.18 H new ATOM 0 HG2 ARG B 16 21.176 6.543 -0.411 1.00 3.46 H new ATOM 0 HG3 ARG B 16 20.381 5.385 -1.458 1.00 3.46 H new ATOM 0 HD2 ARG B 16 18.901 7.279 -1.154 1.00 3.60 H new ATOM 0 HD3 ARG B 16 18.200 5.896 -0.338 1.00 3.60 H new ATOM 0 HE ARG B 16 19.350 6.909 1.780 1.00 4.29 H new ATOM 0 HH11 ARG B 16 18.037 8.778 -0.923 1.00 4.94 H new ATOM 0 HH12 ARG B 16 17.674 10.184 0.082 1.00 4.94 H new ATOM 0 HH21 ARG B 16 18.908 8.724 3.046 1.00 5.55 H new ATOM 0 HH22 ARG B 16 18.166 10.153 2.320 1.00 5.55 H new ATOM 1592 N CYS B 17 21.102 2.778 2.440 1.00 2.99 N ATOM 1593 CA CYS B 17 21.046 1.589 3.272 1.00 2.92 C ATOM 1594 C CYS B 17 19.639 1.351 3.797 1.00 2.87 C ATOM 1595 O CYS B 17 19.025 2.235 4.406 1.00 3.04 O ATOM 1596 CB CYS B 17 22.030 1.711 4.429 1.00 3.34 C ATOM 1597 SG CYS B 17 23.671 0.993 4.079 1.00 2.98 S ATOM 0 H CYS B 17 20.477 3.531 2.730 1.00 2.99 H new ATOM 0 HA CYS B 17 21.324 0.732 2.658 1.00 2.92 H new ATOM 0 HB2 CYS B 17 22.151 2.764 4.681 1.00 3.34 H new ATOM 0 HB3 CYS B 17 21.608 1.220 5.306 1.00 3.34 H new ATOM 1602 N ILE B 18 19.118 0.167 3.505 1.00 2.68 N ATOM 1603 CA ILE B 18 17.798 -0.243 3.934 1.00 2.73 C ATOM 1604 C ILE B 18 17.859 -1.732 4.298 1.00 2.78 C ATOM 1605 O ILE B 18 18.647 -2.465 3.709 1.00 2.64 O ATOM 1606 CB ILE B 18 16.743 -0.006 2.816 1.00 2.46 C ATOM 1607 CG1 ILE B 18 16.902 -1.018 1.694 1.00 2.12 C ATOM 1608 CG2 ILE B 18 16.866 1.388 2.230 1.00 2.46 C ATOM 1609 CD1 ILE B 18 15.813 -2.057 1.681 1.00 2.22 C ATOM 0 H ILE B 18 19.609 -0.540 2.958 1.00 2.68 H new ATOM 0 HA ILE B 18 17.495 0.350 4.797 1.00 2.73 H new ATOM 0 HB ILE B 18 15.762 -0.120 3.277 1.00 2.46 H new ATOM 0 HG12 ILE B 18 16.909 -0.494 0.738 1.00 2.12 H new ATOM 0 HG13 ILE B 18 17.868 -1.513 1.793 1.00 2.12 H new ATOM 0 HG21 ILE B 18 16.115 1.523 1.451 1.00 2.46 H new ATOM 0 HG22 ILE B 18 16.711 2.128 3.015 1.00 2.46 H new ATOM 0 HG23 ILE B 18 17.860 1.516 1.802 1.00 2.46 H new ATOM 0 HD11 ILE B 18 15.982 -2.751 0.857 1.00 2.22 H new ATOM 0 HD12 ILE B 18 15.821 -2.604 2.624 1.00 2.22 H new ATOM 0 HD13 ILE B 18 14.847 -1.570 1.552 1.00 2.22 H new ATOM 1621 N PRO B 19 17.084 -2.198 5.287 1.00 3.06 N ATOM 1622 CA PRO B 19 17.086 -3.619 5.677 1.00 3.25 C ATOM 1623 C PRO B 19 16.662 -4.531 4.524 1.00 2.98 C ATOM 1624 O PRO B 19 15.755 -4.198 3.764 1.00 2.76 O ATOM 1625 CB PRO B 19 16.065 -3.683 6.819 1.00 3.67 C ATOM 1626 CG PRO B 19 15.956 -2.283 7.315 1.00 3.69 C ATOM 1627 CD PRO B 19 16.168 -1.403 6.116 1.00 2.93 C ATOM 0 HA PRO B 19 18.080 -3.963 5.965 1.00 3.25 H new ATOM 0 HB2 PRO B 19 15.102 -4.054 6.468 1.00 3.67 H new ATOM 0 HB3 PRO B 19 16.397 -4.357 7.609 1.00 3.67 H new ATOM 0 HG2 PRO B 19 14.979 -2.103 7.764 1.00 3.69 H new ATOM 0 HG3 PRO B 19 16.702 -2.082 8.084 1.00 3.69 H new ATOM 0 HD2 PRO B 19 15.232 -1.193 5.598 1.00 2.93 H new ATOM 0 HD3 PRO B 19 16.602 -0.442 6.391 1.00 2.93 H new ATOM 1635 N ILE B 20 17.304 -5.690 4.418 1.00 3.06 N ATOM 1636 CA ILE B 20 17.021 -6.652 3.345 1.00 2.92 C ATOM 1637 C ILE B 20 15.524 -6.955 3.215 1.00 3.15 C ATOM 1638 O ILE B 20 14.983 -7.006 2.106 1.00 3.99 O ATOM 1639 CB ILE B 20 17.797 -7.975 3.584 1.00 3.14 C ATOM 1640 CG1 ILE B 20 19.174 -7.918 2.923 1.00 2.82 C ATOM 1641 CG2 ILE B 20 17.028 -9.189 3.080 1.00 3.35 C ATOM 1642 CD1 ILE B 20 19.130 -7.939 1.407 1.00 2.45 C ATOM 0 H ILE B 20 18.031 -5.993 5.066 1.00 3.06 H new ATOM 0 HA ILE B 20 17.352 -6.192 2.414 1.00 2.92 H new ATOM 0 HB ILE B 20 17.919 -8.084 4.662 1.00 3.14 H new ATOM 0 HG12 ILE B 20 19.685 -7.012 3.249 1.00 2.82 H new ATOM 0 HG13 ILE B 20 19.768 -8.763 3.271 1.00 2.82 H new ATOM 0 HG21 ILE B 20 17.609 -10.092 3.268 1.00 3.35 H new ATOM 0 HG22 ILE B 20 16.073 -9.257 3.601 1.00 3.35 H new ATOM 0 HG23 ILE B 20 16.851 -9.088 2.009 1.00 3.35 H new ATOM 0 HD11 ILE B 20 20.145 -7.896 1.013 1.00 2.45 H new ATOM 0 HD12 ILE B 20 18.649 -8.857 1.070 1.00 2.45 H new ATOM 0 HD13 ILE B 20 18.564 -7.079 1.047 1.00 2.45 H new ATOM 1654 N SER B 21 14.862 -7.108 4.350 1.00 2.60 N ATOM 1655 CA SER B 21 13.444 -7.442 4.393 1.00 2.75 C ATOM 1656 C SER B 21 12.530 -6.355 3.807 1.00 2.66 C ATOM 1657 O SER B 21 11.320 -6.549 3.723 1.00 2.75 O ATOM 1658 CB SER B 21 13.056 -7.719 5.843 1.00 3.12 C ATOM 1659 OG SER B 21 14.138 -8.303 6.551 1.00 3.14 O ATOM 0 H SER B 21 15.291 -7.004 5.270 1.00 2.60 H new ATOM 0 HA SER B 21 13.300 -8.321 3.765 1.00 2.75 H new ATOM 0 HB2 SER B 21 12.757 -6.790 6.328 1.00 3.12 H new ATOM 0 HB3 SER B 21 12.194 -8.385 5.873 1.00 3.12 H new ATOM 0 HG SER B 21 13.869 -8.471 7.478 1.00 3.14 H new ATOM 1665 N TRP B 22 13.091 -5.225 3.399 1.00 2.53 N ATOM 1666 CA TRP B 22 12.279 -4.144 2.838 1.00 2.51 C ATOM 1667 C TRP B 22 12.204 -4.215 1.321 1.00 2.25 C ATOM 1668 O TRP B 22 11.307 -3.624 0.720 1.00 2.35 O ATOM 1669 CB TRP B 22 12.833 -2.774 3.234 1.00 2.52 C ATOM 1670 CG TRP B 22 12.706 -2.455 4.688 1.00 2.86 C ATOM 1671 CD1 TRP B 22 12.543 -3.338 5.711 1.00 3.15 C ATOM 1672 CD2 TRP B 22 12.741 -1.151 5.280 1.00 3.05 C ATOM 1673 NE1 TRP B 22 12.475 -2.669 6.899 1.00 3.45 N ATOM 1674 CE2 TRP B 22 12.591 -1.325 6.665 1.00 3.39 C ATOM 1675 CE3 TRP B 22 12.885 0.147 4.774 1.00 3.07 C ATOM 1676 CZ2 TRP B 22 12.580 -0.253 7.553 1.00 3.66 C ATOM 1677 CZ3 TRP B 22 12.875 1.210 5.656 1.00 3.40 C ATOM 1678 CH2 TRP B 22 12.723 1.004 7.032 1.00 3.66 C ATOM 0 H TRP B 22 14.091 -5.030 3.443 1.00 2.53 H new ATOM 0 HA TRP B 22 11.277 -4.271 3.249 1.00 2.51 H new ATOM 0 HB2 TRP B 22 13.885 -2.726 2.954 1.00 2.52 H new ATOM 0 HB3 TRP B 22 12.315 -2.006 2.659 1.00 2.52 H new ATOM 0 HD1 TRP B 22 12.477 -4.410 5.599 1.00 3.15 H new ATOM 0 HE1 TRP B 22 12.357 -3.102 7.815 1.00 3.45 H new ATOM 0 HE3 TRP B 22 13.002 0.314 3.713 1.00 3.07 H new ATOM 0 HZ2 TRP B 22 12.463 -0.408 8.615 1.00 3.66 H new ATOM 0 HZ3 TRP B 22 12.986 2.216 5.278 1.00 3.40 H new ATOM 0 HH2 TRP B 22 12.718 1.855 7.697 1.00 3.66 H new ATOM 1689 N THR B 23 13.114 -4.957 0.706 1.00 1.97 N ATOM 1690 CA THR B 23 13.156 -5.056 -0.746 1.00 1.76 C ATOM 1691 C THR B 23 11.839 -5.587 -1.293 1.00 1.99 C ATOM 1692 O THR B 23 10.853 -4.846 -1.421 1.00 2.21 O ATOM 1693 CB THR B 23 14.325 -5.951 -1.222 1.00 1.55 C ATOM 1694 OG1 THR B 23 14.349 -7.189 -0.490 1.00 1.78 O ATOM 1695 CG2 THR B 23 15.659 -5.238 -1.052 1.00 1.35 C ATOM 0 H THR B 23 13.832 -5.498 1.188 1.00 1.97 H new ATOM 0 HA THR B 23 13.319 -4.050 -1.133 1.00 1.76 H new ATOM 0 HB THR B 23 14.168 -6.163 -2.280 1.00 1.55 H new ATOM 0 HG1 THR B 23 14.856 -7.068 0.340 1.00 1.78 H new ATOM 0 HG21 THR B 23 16.465 -5.888 -1.394 1.00 1.35 H new ATOM 0 HG22 THR B 23 15.659 -4.320 -1.640 1.00 1.35 H new ATOM 0 HG23 THR B 23 15.810 -4.995 -0.000 1.00 1.35 H new ATOM 1703 N CYS B 24 11.830 -6.863 -1.590 1.00 2.01 N ATOM 1704 CA CYS B 24 10.666 -7.533 -2.104 1.00 2.28 C ATOM 1705 C CYS B 24 9.779 -7.972 -0.949 1.00 2.59 C ATOM 1706 O CYS B 24 9.998 -9.037 -0.369 1.00 2.77 O ATOM 1707 CB CYS B 24 11.103 -8.742 -2.906 1.00 2.36 C ATOM 1708 SG CYS B 24 11.307 -8.418 -4.685 1.00 2.50 S ATOM 0 H CYS B 24 12.642 -7.471 -1.479 1.00 2.01 H new ATOM 0 HA CYS B 24 10.104 -6.855 -2.746 1.00 2.28 H new ATOM 0 HB2 CYS B 24 12.047 -9.110 -2.504 1.00 2.36 H new ATOM 0 HB3 CYS B 24 10.369 -9.537 -2.774 1.00 2.36 H new ATOM 1713 N ASP B 25 8.803 -7.155 -0.596 1.00 2.72 N ATOM 1714 CA ASP B 25 7.922 -7.482 0.516 1.00 3.04 C ATOM 1715 C ASP B 25 6.478 -7.091 0.220 1.00 3.20 C ATOM 1716 O ASP B 25 5.575 -7.924 0.318 1.00 3.78 O ATOM 1717 CB ASP B 25 8.417 -6.805 1.813 1.00 3.09 C ATOM 1718 CG ASP B 25 8.255 -5.288 1.830 1.00 3.03 C ATOM 1719 OD1 ASP B 25 8.566 -4.631 0.808 1.00 2.78 O ATOM 1720 OD2 ASP B 25 7.795 -4.759 2.871 1.00 3.29 O ATOM 0 H ASP B 25 8.600 -6.268 -1.057 1.00 2.72 H new ATOM 0 HA ASP B 25 7.947 -8.563 0.655 1.00 3.04 H new ATOM 0 HB2 ASP B 25 7.874 -7.226 2.659 1.00 3.09 H new ATOM 0 HB3 ASP B 25 9.470 -7.048 1.957 1.00 3.09 H new ATOM 1725 N LEU B 26 6.297 -5.835 -0.178 1.00 2.87 N ATOM 1726 CA LEU B 26 4.994 -5.255 -0.483 1.00 3.04 C ATOM 1727 C LEU B 26 5.102 -3.736 -0.456 1.00 3.06 C ATOM 1728 O LEU B 26 4.260 -3.030 -1.015 1.00 3.19 O ATOM 1729 CB LEU B 26 3.926 -5.690 0.530 1.00 3.24 C ATOM 1730 CG LEU B 26 2.499 -5.752 -0.021 1.00 3.74 C ATOM 1731 CD1 LEU B 26 2.324 -6.964 -0.926 1.00 4.25 C ATOM 1732 CD2 LEU B 26 1.484 -5.786 1.110 1.00 3.89 C ATOM 0 H LEU B 26 7.068 -5.179 -0.300 1.00 2.87 H new ATOM 0 HA LEU B 26 4.695 -5.607 -1.470 1.00 3.04 H new ATOM 0 HB2 LEU B 26 4.193 -6.673 0.917 1.00 3.24 H new ATOM 0 HB3 LEU B 26 3.944 -5.000 1.373 1.00 3.24 H new ATOM 0 HG LEU B 26 2.326 -4.852 -0.611 1.00 3.74 H new ATOM 0 HD11 LEU B 26 1.303 -6.989 -1.307 1.00 4.25 H new ATOM 0 HD12 LEU B 26 3.021 -6.898 -1.761 1.00 4.25 H new ATOM 0 HD13 LEU B 26 2.522 -7.873 -0.359 1.00 4.25 H new ATOM 0 HD21 LEU B 26 0.477 -5.830 0.694 1.00 3.89 H new ATOM 0 HD22 LEU B 26 1.659 -6.665 1.730 1.00 3.89 H new ATOM 0 HD23 LEU B 26 1.587 -4.887 1.718 1.00 3.89 H new ATOM 1744 N ASP B 27 6.134 -3.233 0.218 1.00 3.02 N ATOM 1745 CA ASP B 27 6.336 -1.798 0.323 1.00 3.08 C ATOM 1746 C ASP B 27 7.356 -1.306 -0.693 1.00 2.88 C ATOM 1747 O ASP B 27 8.422 -1.915 -0.896 1.00 2.64 O ATOM 1748 CB ASP B 27 6.761 -1.394 1.730 1.00 3.12 C ATOM 1749 CG ASP B 27 6.379 0.043 2.027 1.00 3.38 C ATOM 1750 OD1 ASP B 27 5.495 0.585 1.319 1.00 3.60 O ATOM 1751 OD2 ASP B 27 6.948 0.634 2.967 1.00 3.51 O ATOM 0 H ASP B 27 6.837 -3.797 0.695 1.00 3.02 H new ATOM 0 HA ASP B 27 5.378 -1.326 0.107 1.00 3.08 H new ATOM 0 HB2 ASP B 27 6.292 -2.056 2.458 1.00 3.12 H new ATOM 0 HB3 ASP B 27 7.839 -1.516 1.836 1.00 3.12 H new ATOM 1756 N ASP B 28 7.005 -0.195 -1.317 1.00 3.03 N ATOM 1757 CA ASP B 28 7.812 0.444 -2.344 1.00 2.94 C ATOM 1758 C ASP B 28 8.873 1.359 -1.742 1.00 2.76 C ATOM 1759 O ASP B 28 8.583 2.486 -1.355 1.00 2.84 O ATOM 1760 CB ASP B 28 6.899 1.257 -3.277 1.00 3.24 C ATOM 1761 CG ASP B 28 5.734 1.912 -2.540 1.00 3.68 C ATOM 1762 OD1 ASP B 28 5.880 3.050 -2.052 1.00 4.27 O ATOM 1763 OD2 ASP B 28 4.661 1.273 -2.430 1.00 3.86 O ATOM 0 H ASP B 28 6.134 0.298 -1.121 1.00 3.03 H new ATOM 0 HA ASP B 28 8.325 -0.337 -2.904 1.00 2.94 H new ATOM 0 HB2 ASP B 28 7.488 2.028 -3.774 1.00 3.24 H new ATOM 0 HB3 ASP B 28 6.508 0.603 -4.056 1.00 3.24 H new ATOM 1768 N ASP B 29 10.106 0.875 -1.673 1.00 2.55 N ATOM 1769 CA ASP B 29 11.199 1.671 -1.130 1.00 2.38 C ATOM 1770 C ASP B 29 11.960 2.346 -2.271 1.00 2.35 C ATOM 1771 O ASP B 29 11.427 3.254 -2.911 1.00 2.66 O ATOM 1772 CB ASP B 29 12.121 0.807 -0.263 1.00 2.16 C ATOM 1773 CG ASP B 29 11.356 -0.002 0.770 1.00 2.44 C ATOM 1774 OD1 ASP B 29 10.820 -1.074 0.410 1.00 2.68 O ATOM 1775 OD2 ASP B 29 11.294 0.438 1.945 1.00 2.65 O ATOM 0 H ASP B 29 10.374 -0.059 -1.984 1.00 2.55 H new ATOM 0 HA ASP B 29 10.792 2.450 -0.485 1.00 2.38 H new ATOM 0 HB2 ASP B 29 12.688 0.131 -0.903 1.00 2.16 H new ATOM 0 HB3 ASP B 29 12.844 1.447 0.243 1.00 2.16 H new ATOM 1780 N CYS B 30 13.182 1.902 -2.560 1.00 2.09 N ATOM 1781 CA CYS B 30 13.949 2.505 -3.656 1.00 2.18 C ATOM 1782 C CYS B 30 15.216 1.741 -4.033 1.00 2.04 C ATOM 1783 O CYS B 30 16.187 2.359 -4.469 1.00 2.48 O ATOM 1784 CB CYS B 30 14.333 3.948 -3.339 1.00 2.31 C ATOM 1785 SG CYS B 30 15.260 4.159 -1.770 1.00 2.09 S ATOM 0 H CYS B 30 13.656 1.146 -2.066 1.00 2.09 H new ATOM 0 HA CYS B 30 13.274 2.464 -4.511 1.00 2.18 H new ATOM 0 HB2 CYS B 30 14.936 4.339 -4.158 1.00 2.31 H new ATOM 0 HB3 CYS B 30 13.426 4.551 -3.295 1.00 2.31 H new ATOM 1790 N GLY B 31 15.224 0.425 -3.869 1.00 1.94 N ATOM 1791 CA GLY B 31 16.393 -0.358 -4.243 1.00 1.85 C ATOM 1792 C GLY B 31 16.834 -0.054 -5.653 1.00 2.13 C ATOM 1793 O GLY B 31 17.986 0.293 -5.902 1.00 2.47 O ATOM 0 H GLY B 31 14.448 -0.115 -3.486 1.00 1.94 H new ATOM 0 HA2 GLY B 31 17.209 -0.148 -3.552 1.00 1.85 H new ATOM 0 HA3 GLY B 31 16.165 -1.420 -4.153 1.00 1.85 H new ATOM 1797 N ASP B 32 15.910 -0.211 -6.569 1.00 2.07 N ATOM 1798 CA ASP B 32 16.136 0.108 -7.959 1.00 2.38 C ATOM 1799 C ASP B 32 15.410 1.416 -8.215 1.00 2.57 C ATOM 1800 O ASP B 32 15.923 2.339 -8.846 1.00 2.97 O ATOM 1801 CB ASP B 32 15.589 -1.006 -8.865 1.00 2.46 C ATOM 1802 CG ASP B 32 14.069 -1.086 -8.853 1.00 2.45 C ATOM 1803 OD1 ASP B 32 13.786 -1.025 -7.641 1.00 3.03 O ATOM 1804 OD2 ASP B 32 13.233 -0.855 -9.760 1.00 2.50 O ATOM 0 H ASP B 32 14.974 -0.566 -6.371 1.00 2.07 H new ATOM 0 HA ASP B 32 17.200 0.198 -8.178 1.00 2.38 H new ATOM 0 HB2 ASP B 32 15.931 -0.838 -9.886 1.00 2.46 H new ATOM 0 HB3 ASP B 32 16.001 -1.963 -8.545 1.00 2.46 H new ATOM 1809 N ARG B 33 14.203 1.456 -7.659 1.00 2.49 N ATOM 1810 CA ARG B 33 13.284 2.579 -7.723 1.00 2.79 C ATOM 1811 C ARG B 33 12.312 2.440 -6.572 1.00 2.77 C ATOM 1812 O ARG B 33 11.960 3.409 -5.905 1.00 2.92 O ATOM 1813 CB ARG B 33 12.505 2.585 -9.041 1.00 3.15 C ATOM 1814 CG ARG B 33 13.387 2.793 -10.242 1.00 3.05 C ATOM 1815 CD ARG B 33 12.920 1.977 -11.435 1.00 3.12 C ATOM 1816 NE ARG B 33 13.894 2.002 -12.526 1.00 3.26 N ATOM 1817 CZ ARG B 33 14.730 1.000 -12.814 1.00 3.49 C ATOM 1818 NH1 ARG B 33 14.698 -0.134 -12.120 1.00 3.42 N ATOM 1819 NH2 ARG B 33 15.598 1.134 -13.808 1.00 4.18 N ATOM 0 H ARG B 33 13.826 0.670 -7.129 1.00 2.49 H new ATOM 0 HA ARG B 33 13.845 3.511 -7.662 1.00 2.79 H new ATOM 0 HB2 ARG B 33 11.973 1.640 -9.147 1.00 3.15 H new ATOM 0 HB3 ARG B 33 11.752 3.373 -9.009 1.00 3.15 H new ATOM 0 HG2 ARG B 33 13.397 3.850 -10.507 1.00 3.05 H new ATOM 0 HG3 ARG B 33 14.412 2.517 -9.992 1.00 3.05 H new ATOM 0 HD2 ARG B 33 12.748 0.946 -11.125 1.00 3.12 H new ATOM 0 HD3 ARG B 33 11.966 2.366 -11.791 1.00 3.12 H new ATOM 0 HE ARG B 33 13.938 2.840 -13.106 1.00 3.26 H new ATOM 0 HH11 ARG B 33 14.030 -0.247 -11.358 1.00 3.42 H new ATOM 0 HH12 ARG B 33 15.342 -0.891 -12.350 1.00 3.42 H new ATOM 0 HH21 ARG B 33 15.625 1.999 -14.348 1.00 4.18 H new ATOM 0 HH22 ARG B 33 16.238 0.372 -14.032 1.00 4.18 H new ATOM 1833 N SER B 34 11.872 1.204 -6.365 1.00 2.66 N ATOM 1834 CA SER B 34 10.956 0.875 -5.285 1.00 2.77 C ATOM 1835 C SER B 34 11.209 -0.551 -4.780 1.00 2.40 C ATOM 1836 O SER B 34 10.451 -1.057 -3.956 1.00 2.51 O ATOM 1837 CB SER B 34 9.512 1.015 -5.772 1.00 3.19 C ATOM 1838 OG SER B 34 9.290 2.300 -6.328 1.00 3.83 O ATOM 0 H SER B 34 12.141 0.406 -6.940 1.00 2.66 H new ATOM 0 HA SER B 34 11.124 1.566 -4.459 1.00 2.77 H new ATOM 0 HB2 SER B 34 9.299 0.249 -6.518 1.00 3.19 H new ATOM 0 HB3 SER B 34 8.826 0.850 -4.941 1.00 3.19 H new ATOM 0 HG SER B 34 8.362 2.368 -6.634 1.00 3.83 H new ATOM 1844 N ASP B 35 12.291 -1.171 -5.289 1.00 2.08 N ATOM 1845 CA ASP B 35 12.697 -2.561 -4.949 1.00 1.81 C ATOM 1846 C ASP B 35 11.527 -3.527 -4.855 1.00 1.97 C ATOM 1847 O ASP B 35 11.573 -4.504 -4.110 1.00 1.85 O ATOM 1848 CB ASP B 35 13.541 -2.651 -3.667 1.00 1.75 C ATOM 1849 CG ASP B 35 13.010 -1.834 -2.513 1.00 2.41 C ATOM 1850 OD1 ASP B 35 12.043 -2.263 -1.859 1.00 2.41 O ATOM 1851 OD2 ASP B 35 13.587 -0.758 -2.262 1.00 3.16 O ATOM 0 H ASP B 35 12.919 -0.722 -5.956 1.00 2.08 H new ATOM 0 HA ASP B 35 13.320 -2.864 -5.791 1.00 1.81 H new ATOM 0 HB2 ASP B 35 13.603 -3.695 -3.359 1.00 1.75 H new ATOM 0 HB3 ASP B 35 14.556 -2.324 -3.891 1.00 1.75 H new ATOM 1856 N GLU B 36 10.503 -3.287 -5.646 1.00 2.27 N ATOM 1857 CA GLU B 36 9.342 -4.145 -5.646 1.00 2.48 C ATOM 1858 C GLU B 36 9.164 -4.779 -7.013 1.00 2.59 C ATOM 1859 O GLU B 36 8.897 -4.084 -7.996 1.00 3.07 O ATOM 1860 CB GLU B 36 8.085 -3.366 -5.247 1.00 2.78 C ATOM 1861 CG GLU B 36 7.925 -3.200 -3.742 1.00 2.79 C ATOM 1862 CD GLU B 36 7.880 -4.526 -3.005 1.00 2.45 C ATOM 1863 OE1 GLU B 36 7.460 -5.536 -3.625 1.00 2.63 O ATOM 1864 OE2 GLU B 36 8.253 -4.566 -1.807 1.00 2.41 O ATOM 0 H GLU B 36 10.453 -2.504 -6.297 1.00 2.27 H new ATOM 0 HA GLU B 36 9.496 -4.933 -4.909 1.00 2.48 H new ATOM 0 HB2 GLU B 36 8.115 -2.381 -5.712 1.00 2.78 H new ATOM 0 HB3 GLU B 36 7.208 -3.879 -5.643 1.00 2.78 H new ATOM 0 HG2 GLU B 36 8.752 -2.604 -3.357 1.00 2.79 H new ATOM 0 HG3 GLU B 36 7.010 -2.645 -3.538 1.00 2.79 H new ATOM 1871 N SER B 37 9.393 -6.093 -7.065 1.00 2.37 N ATOM 1872 CA SER B 37 9.241 -6.894 -8.287 1.00 2.55 C ATOM 1873 C SER B 37 10.471 -6.787 -9.185 1.00 2.43 C ATOM 1874 O SER B 37 11.092 -7.799 -9.515 1.00 2.48 O ATOM 1875 CB SER B 37 7.979 -6.498 -9.070 1.00 3.14 C ATOM 1876 OG SER B 37 6.842 -6.442 -8.221 1.00 3.50 O ATOM 0 H SER B 37 9.691 -6.637 -6.256 1.00 2.37 H new ATOM 0 HA SER B 37 9.136 -7.932 -7.971 1.00 2.55 H new ATOM 0 HB2 SER B 37 8.131 -5.528 -9.542 1.00 3.14 H new ATOM 0 HB3 SER B 37 7.804 -7.218 -9.870 1.00 3.14 H new ATOM 0 HG SER B 37 6.650 -7.337 -7.872 1.00 3.50 H new ATOM 1882 N ALA B 38 10.848 -5.565 -9.538 1.00 2.63 N ATOM 1883 CA ALA B 38 11.996 -5.334 -10.413 1.00 2.82 C ATOM 1884 C ALA B 38 13.321 -5.425 -9.658 1.00 2.79 C ATOM 1885 O ALA B 38 14.234 -4.626 -9.867 1.00 3.30 O ATOM 1886 CB ALA B 38 11.863 -3.984 -11.100 1.00 3.21 C ATOM 0 H ALA B 38 10.376 -4.714 -9.232 1.00 2.63 H new ATOM 0 HA ALA B 38 12.002 -6.122 -11.166 1.00 2.82 H new ATOM 0 HB1 ALA B 38 12.723 -3.820 -11.750 1.00 3.21 H new ATOM 0 HB2 ALA B 38 10.950 -3.967 -11.695 1.00 3.21 H new ATOM 0 HB3 ALA B 38 11.821 -3.196 -10.348 1.00 3.21 H new ATOM 1892 N SER B 39 13.419 -6.408 -8.782 1.00 2.39 N ATOM 1893 CA SER B 39 14.623 -6.624 -7.998 1.00 2.47 C ATOM 1894 C SER B 39 14.846 -8.114 -7.786 1.00 2.49 C ATOM 1895 O SER B 39 15.812 -8.689 -8.280 1.00 2.90 O ATOM 1896 CB SER B 39 14.507 -5.908 -6.650 1.00 2.41 C ATOM 1897 OG SER B 39 13.582 -4.837 -6.727 1.00 3.30 O ATOM 0 H SER B 39 12.672 -7.076 -8.594 1.00 2.39 H new ATOM 0 HA SER B 39 15.476 -6.215 -8.539 1.00 2.47 H new ATOM 0 HB2 SER B 39 14.189 -6.615 -5.884 1.00 2.41 H new ATOM 0 HB3 SER B 39 15.484 -5.530 -6.349 1.00 2.41 H new ATOM 0 HG SER B 39 12.669 -5.188 -6.659 1.00 3.30 H new ATOM 1903 N CYS B 40 13.921 -8.744 -7.075 1.00 2.26 N ATOM 1904 CA CYS B 40 14.021 -10.172 -6.788 1.00 2.48 C ATOM 1905 C CYS B 40 13.334 -11.010 -7.858 1.00 2.48 C ATOM 1906 O CYS B 40 13.224 -12.227 -7.716 1.00 2.75 O ATOM 1907 CB CYS B 40 13.378 -10.462 -5.439 1.00 2.54 C ATOM 1908 SG CYS B 40 11.572 -10.271 -5.451 1.00 2.59 S ATOM 0 H CYS B 40 13.094 -8.292 -6.686 1.00 2.26 H new ATOM 0 HA CYS B 40 15.078 -10.438 -6.773 1.00 2.48 H new ATOM 0 HB2 CYS B 40 13.627 -11.479 -5.136 1.00 2.54 H new ATOM 0 HB3 CYS B 40 13.803 -9.793 -4.690 1.00 2.54 H new ATOM 1913 N ALA B 41 12.843 -10.340 -8.909 1.00 2.51 N ATOM 1914 CA ALA B 41 12.128 -10.994 -10.015 1.00 2.57 C ATOM 1915 C ALA B 41 10.738 -11.455 -9.568 1.00 2.51 C ATOM 1916 O ALA B 41 9.957 -11.983 -10.363 1.00 2.83 O ATOM 1917 CB ALA B 41 12.935 -12.154 -10.590 1.00 2.65 C ATOM 0 H ALA B 41 12.930 -9.329 -9.017 1.00 2.51 H new ATOM 0 HA ALA B 41 12.000 -10.259 -10.810 1.00 2.57 H new ATOM 0 HB1 ALA B 41 12.378 -12.616 -11.405 1.00 2.65 H new ATOM 0 HB2 ALA B 41 13.888 -11.783 -10.966 1.00 2.65 H new ATOM 0 HB3 ALA B 41 13.116 -12.893 -9.810 1.00 2.65 H new ATOM 1923 N TYR B 42 10.450 -11.230 -8.287 1.00 2.42 N ATOM 1924 CA TYR B 42 9.172 -11.575 -7.665 1.00 2.58 C ATOM 1925 C TYR B 42 8.800 -13.050 -7.834 1.00 2.21 C ATOM 1926 O TYR B 42 7.911 -13.387 -8.620 1.00 2.17 O ATOM 1927 CB TYR B 42 8.051 -10.686 -8.207 1.00 3.19 C ATOM 1928 CG TYR B 42 7.410 -9.807 -7.154 1.00 3.52 C ATOM 1929 CD1 TYR B 42 8.161 -9.258 -6.119 1.00 3.81 C ATOM 1930 CD2 TYR B 42 6.051 -9.524 -7.195 1.00 3.93 C ATOM 1931 CE1 TYR B 42 7.576 -8.455 -5.158 1.00 4.37 C ATOM 1932 CE2 TYR B 42 5.458 -8.719 -6.236 1.00 4.54 C ATOM 1933 CZ TYR B 42 6.227 -8.186 -5.221 1.00 4.70 C ATOM 1934 OH TYR B 42 5.641 -7.384 -4.266 1.00 5.44 O ATOM 0 H TYR B 42 11.109 -10.796 -7.641 1.00 2.42 H new ATOM 0 HA TYR B 42 9.294 -11.399 -6.596 1.00 2.58 H new ATOM 0 HB2 TYR B 42 8.451 -10.055 -9.000 1.00 3.19 H new ATOM 0 HB3 TYR B 42 7.284 -11.317 -8.657 1.00 3.19 H new ATOM 0 HD1 TYR B 42 9.220 -9.463 -6.066 1.00 3.81 H new ATOM 0 HD2 TYR B 42 5.446 -9.938 -7.988 1.00 3.93 H new ATOM 0 HE1 TYR B 42 8.175 -8.040 -4.361 1.00 4.37 H new ATOM 0 HE2 TYR B 42 4.400 -8.510 -6.282 1.00 4.54 H new ATOM 0 HH TYR B 42 6.195 -6.589 -4.122 1.00 5.44 H new ATOM 1944 N PRO B 43 9.479 -13.951 -7.104 1.00 2.15 N ATOM 1945 CA PRO B 43 9.182 -15.382 -7.142 1.00 2.03 C ATOM 1946 C PRO B 43 7.914 -15.657 -6.344 1.00 1.98 C ATOM 1947 O PRO B 43 7.972 -15.886 -5.133 1.00 2.13 O ATOM 1948 CB PRO B 43 10.400 -16.040 -6.470 1.00 2.35 C ATOM 1949 CG PRO B 43 11.382 -14.936 -6.232 1.00 2.63 C ATOM 1950 CD PRO B 43 10.586 -13.664 -6.188 1.00 2.44 C ATOM 0 HA PRO B 43 9.016 -15.761 -8.150 1.00 2.03 H new ATOM 0 HB2 PRO B 43 10.117 -16.520 -5.533 1.00 2.35 H new ATOM 0 HB3 PRO B 43 10.828 -16.813 -7.108 1.00 2.35 H new ATOM 0 HG2 PRO B 43 11.920 -15.090 -5.297 1.00 2.63 H new ATOM 0 HG3 PRO B 43 12.127 -14.901 -7.027 1.00 2.63 H new ATOM 0 HD2 PRO B 43 10.232 -13.441 -5.181 1.00 2.44 H new ATOM 0 HD3 PRO B 43 11.173 -12.806 -6.517 1.00 2.44 H new ATOM 1958 N THR B 44 6.773 -15.610 -7.026 1.00 2.35 N ATOM 1959 CA THR B 44 5.479 -15.784 -6.378 1.00 2.37 C ATOM 1960 C THR B 44 5.282 -14.648 -5.378 1.00 2.03 C ATOM 1961 O THR B 44 4.824 -14.839 -4.249 1.00 1.78 O ATOM 1962 CB THR B 44 5.335 -17.142 -5.662 1.00 2.55 C ATOM 1963 OG1 THR B 44 5.702 -18.210 -6.547 1.00 3.23 O ATOM 1964 CG2 THR B 44 3.900 -17.324 -5.186 1.00 3.01 C ATOM 0 H THR B 44 6.720 -15.452 -8.032 1.00 2.35 H new ATOM 0 HA THR B 44 4.714 -15.764 -7.154 1.00 2.37 H new ATOM 0 HB THR B 44 6.001 -17.161 -4.799 1.00 2.55 H new ATOM 0 HG1 THR B 44 5.608 -19.067 -6.082 1.00 3.23 H new ATOM 0 HG21 THR B 44 3.803 -18.285 -4.681 1.00 3.01 H new ATOM 0 HG22 THR B 44 3.642 -16.523 -4.494 1.00 3.01 H new ATOM 0 HG23 THR B 44 3.226 -17.295 -6.042 1.00 3.01 H new ATOM 1972 N CYS B 45 5.662 -13.462 -5.822 1.00 2.44 N ATOM 1973 CA CYS B 45 5.582 -12.247 -5.024 1.00 2.36 C ATOM 1974 C CYS B 45 6.584 -12.290 -3.866 1.00 2.49 C ATOM 1975 O CYS B 45 7.604 -11.607 -3.894 1.00 2.91 O ATOM 1976 CB CYS B 45 4.144 -12.018 -4.533 1.00 2.21 C ATOM 1977 SG CYS B 45 2.912 -11.971 -5.882 1.00 2.37 S ATOM 0 H CYS B 45 6.039 -13.312 -6.758 1.00 2.44 H new ATOM 0 HA CYS B 45 5.852 -11.398 -5.652 1.00 2.36 H new ATOM 0 HB2 CYS B 45 3.876 -12.811 -3.835 1.00 2.21 H new ATOM 0 HB3 CYS B 45 4.102 -11.079 -3.981 1.00 2.21 H new ATOM 1982 N PHE B 46 6.306 -13.131 -2.885 1.00 2.37 N ATOM 1983 CA PHE B 46 7.160 -13.283 -1.706 1.00 2.53 C ATOM 1984 C PHE B 46 6.733 -14.502 -0.884 1.00 1.97 C ATOM 1985 O PHE B 46 5.687 -14.498 -0.237 1.00 2.05 O ATOM 1986 CB PHE B 46 7.148 -12.010 -0.827 1.00 3.33 C ATOM 1987 CG PHE B 46 5.788 -11.580 -0.338 1.00 3.54 C ATOM 1988 CD1 PHE B 46 4.720 -11.479 -1.211 1.00 4.18 C ATOM 1989 CD2 PHE B 46 5.582 -11.283 0.997 1.00 3.39 C ATOM 1990 CE1 PHE B 46 3.479 -11.094 -0.774 1.00 4.84 C ATOM 1991 CE2 PHE B 46 4.338 -10.893 1.448 1.00 3.92 C ATOM 1992 CZ PHE B 46 3.281 -10.798 0.562 1.00 4.73 C ATOM 0 H PHE B 46 5.482 -13.732 -2.878 1.00 2.37 H new ATOM 0 HA PHE B 46 8.180 -13.436 -2.057 1.00 2.53 H new ATOM 0 HB2 PHE B 46 7.791 -12.179 0.037 1.00 3.33 H new ATOM 0 HB3 PHE B 46 7.588 -11.191 -1.396 1.00 3.33 H new ATOM 0 HD1 PHE B 46 4.866 -11.708 -2.256 1.00 4.18 H new ATOM 0 HD2 PHE B 46 6.404 -11.357 1.694 1.00 3.39 H new ATOM 0 HE1 PHE B 46 2.658 -11.022 -1.472 1.00 4.84 H new ATOM 0 HE2 PHE B 46 4.190 -10.662 2.493 1.00 3.92 H new ATOM 0 HZ PHE B 46 2.305 -10.494 0.912 1.00 4.73 H new ATOM 2002 N PRO B 47 7.532 -15.573 -0.909 1.00 2.18 N ATOM 2003 CA PRO B 47 7.235 -16.800 -0.170 1.00 2.39 C ATOM 2004 C PRO B 47 7.717 -16.743 1.283 1.00 2.23 C ATOM 2005 O PRO B 47 8.306 -17.698 1.788 1.00 2.41 O ATOM 2006 CB PRO B 47 8.016 -17.851 -0.956 1.00 3.31 C ATOM 2007 CG PRO B 47 9.207 -17.123 -1.485 1.00 3.48 C ATOM 2008 CD PRO B 47 8.788 -15.685 -1.677 1.00 2.97 C ATOM 0 HA PRO B 47 6.165 -16.995 -0.096 1.00 2.39 H new ATOM 0 HB2 PRO B 47 8.312 -18.683 -0.318 1.00 3.31 H new ATOM 0 HB3 PRO B 47 7.415 -18.268 -1.765 1.00 3.31 H new ATOM 0 HG2 PRO B 47 10.043 -17.193 -0.789 1.00 3.48 H new ATOM 0 HG3 PRO B 47 9.539 -17.558 -2.427 1.00 3.48 H new ATOM 0 HD2 PRO B 47 9.546 -14.995 -1.305 1.00 2.97 H new ATOM 0 HD3 PRO B 47 8.634 -15.451 -2.730 1.00 2.97 H new ATOM 2016 N LEU B 48 7.453 -15.624 1.954 1.00 2.05 N ATOM 2017 CA LEU B 48 7.870 -15.451 3.344 1.00 2.05 C ATOM 2018 C LEU B 48 6.665 -15.406 4.275 1.00 1.96 C ATOM 2019 O LEU B 48 6.490 -16.268 5.133 1.00 2.02 O ATOM 2020 CB LEU B 48 8.690 -14.167 3.510 1.00 2.26 C ATOM 2021 CG LEU B 48 9.144 -13.512 2.207 1.00 3.44 C ATOM 2022 CD1 LEU B 48 9.398 -12.031 2.420 1.00 3.78 C ATOM 2023 CD2 LEU B 48 10.399 -14.189 1.670 1.00 4.20 C ATOM 0 H LEU B 48 6.954 -14.826 1.560 1.00 2.05 H new ATOM 0 HA LEU B 48 8.489 -16.308 3.609 1.00 2.05 H new ATOM 0 HB2 LEU B 48 8.097 -13.446 4.073 1.00 2.26 H new ATOM 0 HB3 LEU B 48 9.571 -14.393 4.111 1.00 2.26 H new ATOM 0 HG LEU B 48 8.348 -13.630 1.472 1.00 3.44 H new ATOM 0 HD11 LEU B 48 9.721 -11.579 1.482 1.00 3.78 H new ATOM 0 HD12 LEU B 48 8.481 -11.549 2.758 1.00 3.78 H new ATOM 0 HD13 LEU B 48 10.175 -11.900 3.173 1.00 3.78 H new ATOM 0 HD21 LEU B 48 10.704 -13.706 0.742 1.00 4.20 H new ATOM 0 HD22 LEU B 48 11.201 -14.104 2.404 1.00 4.20 H new ATOM 0 HD23 LEU B 48 10.191 -15.242 1.480 1.00 4.20 H new ATOM 2035 N THR B 49 5.829 -14.400 4.074 1.00 1.88 N ATOM 2036 CA THR B 49 4.633 -14.194 4.876 1.00 1.88 C ATOM 2037 C THR B 49 3.567 -13.647 3.958 1.00 1.77 C ATOM 2038 O THR B 49 3.244 -12.459 3.987 1.00 1.78 O ATOM 2039 CB THR B 49 4.894 -13.204 6.031 1.00 2.06 C ATOM 2040 OG1 THR B 49 5.828 -12.198 5.605 1.00 2.12 O ATOM 2041 CG2 THR B 49 5.433 -13.923 7.259 1.00 2.26 C ATOM 0 H THR B 49 5.962 -13.699 3.345 1.00 1.88 H new ATOM 0 HA THR B 49 4.321 -15.137 5.326 1.00 1.88 H new ATOM 0 HB THR B 49 3.948 -12.735 6.300 1.00 2.06 H new ATOM 0 HG1 THR B 49 5.990 -11.570 6.340 1.00 2.12 H new ATOM 0 HG21 THR B 49 5.607 -13.201 8.056 1.00 2.26 H new ATOM 0 HG22 THR B 49 4.708 -14.665 7.594 1.00 2.26 H new ATOM 0 HG23 THR B 49 6.370 -14.419 7.008 1.00 2.26 H new ATOM 2049 N GLN B 50 3.022 -14.525 3.143 1.00 1.70 N ATOM 2050 CA GLN B 50 2.070 -14.121 2.140 1.00 1.67 C ATOM 2051 C GLN B 50 0.717 -14.817 2.232 1.00 1.58 C ATOM 2052 O GLN B 50 0.607 -15.976 2.632 1.00 1.59 O ATOM 2053 CB GLN B 50 2.681 -14.417 0.779 1.00 1.76 C ATOM 2054 CG GLN B 50 1.846 -13.926 -0.371 1.00 2.11 C ATOM 2055 CD GLN B 50 2.156 -14.644 -1.669 1.00 2.89 C ATOM 2056 OE1 GLN B 50 1.273 -14.863 -2.495 1.00 3.72 O ATOM 2057 NE2 GLN B 50 3.413 -15.018 -1.856 1.00 2.97 N ATOM 0 H GLN B 50 3.225 -15.524 3.158 1.00 1.70 H new ATOM 0 HA GLN B 50 1.871 -13.061 2.297 1.00 1.67 H new ATOM 0 HB2 GLN B 50 3.668 -13.957 0.724 1.00 1.76 H new ATOM 0 HB3 GLN B 50 2.825 -15.493 0.680 1.00 1.76 H new ATOM 0 HG2 GLN B 50 0.791 -14.058 -0.131 1.00 2.11 H new ATOM 0 HG3 GLN B 50 2.011 -12.857 -0.504 1.00 2.11 H new ATOM 0 HE21 GLN B 50 4.116 -14.817 -1.145 1.00 2.97 H new ATOM 0 HE22 GLN B 50 3.678 -15.507 -2.711 1.00 2.97 H new ATOM 2066 N PHE B 51 -0.299 -14.060 1.853 1.00 1.56 N ATOM 2067 CA PHE B 51 -1.670 -14.521 1.772 1.00 1.56 C ATOM 2068 C PHE B 51 -2.116 -14.248 0.337 1.00 1.57 C ATOM 2069 O PHE B 51 -1.553 -13.368 -0.321 1.00 1.49 O ATOM 2070 CB PHE B 51 -2.543 -13.785 2.802 1.00 1.64 C ATOM 2071 CG PHE B 51 -4.032 -13.988 2.667 1.00 1.73 C ATOM 2072 CD1 PHE B 51 -4.670 -15.051 3.285 1.00 1.72 C ATOM 2073 CD2 PHE B 51 -4.796 -13.087 1.948 1.00 2.26 C ATOM 2074 CE1 PHE B 51 -6.043 -15.206 3.184 1.00 1.82 C ATOM 2075 CE2 PHE B 51 -6.161 -13.234 1.837 1.00 2.49 C ATOM 2076 CZ PHE B 51 -6.788 -14.293 2.458 1.00 2.11 C ATOM 0 H PHE B 51 -0.187 -13.082 1.587 1.00 1.56 H new ATOM 0 HA PHE B 51 -1.764 -15.582 2.005 1.00 1.56 H new ATOM 0 HB2 PHE B 51 -2.241 -14.104 3.800 1.00 1.64 H new ATOM 0 HB3 PHE B 51 -2.333 -12.718 2.731 1.00 1.64 H new ATOM 0 HD1 PHE B 51 -4.091 -15.766 3.851 1.00 1.72 H new ATOM 0 HD2 PHE B 51 -4.313 -12.251 1.464 1.00 2.26 H new ATOM 0 HE1 PHE B 51 -6.531 -16.037 3.671 1.00 1.82 H new ATOM 0 HE2 PHE B 51 -6.738 -12.522 1.265 1.00 2.49 H new ATOM 0 HZ PHE B 51 -7.859 -14.410 2.378 1.00 2.11 H new ATOM 2086 N THR B 52 -3.113 -14.950 -0.152 1.00 1.72 N ATOM 2087 CA THR B 52 -3.538 -14.771 -1.523 1.00 1.81 C ATOM 2088 C THR B 52 -4.832 -13.973 -1.618 1.00 1.94 C ATOM 2089 O THR B 52 -5.908 -14.464 -1.281 1.00 2.10 O ATOM 2090 CB THR B 52 -3.731 -16.137 -2.198 1.00 2.00 C ATOM 2091 OG1 THR B 52 -3.757 -17.165 -1.197 1.00 2.04 O ATOM 2092 CG2 THR B 52 -2.616 -16.418 -3.196 1.00 2.32 C ATOM 0 H THR B 52 -3.642 -15.646 0.374 1.00 1.72 H new ATOM 0 HA THR B 52 -2.756 -14.210 -2.035 1.00 1.81 H new ATOM 0 HB THR B 52 -4.677 -16.124 -2.740 1.00 2.00 H new ATOM 0 HG1 THR B 52 -3.882 -18.037 -1.627 1.00 2.04 H new ATOM 0 HG21 THR B 52 -2.778 -17.392 -3.658 1.00 2.32 H new ATOM 0 HG22 THR B 52 -2.614 -15.646 -3.966 1.00 2.32 H new ATOM 0 HG23 THR B 52 -1.656 -16.418 -2.679 1.00 2.32 H new ATOM 2100 N CYS B 53 -4.712 -12.723 -2.059 1.00 1.95 N ATOM 2101 CA CYS B 53 -5.873 -11.860 -2.205 1.00 2.19 C ATOM 2102 C CYS B 53 -6.766 -12.250 -3.381 1.00 2.41 C ATOM 2103 O CYS B 53 -6.658 -13.347 -3.930 1.00 2.34 O ATOM 2104 CB CYS B 53 -5.466 -10.409 -2.379 1.00 2.32 C ATOM 2105 SG CYS B 53 -6.207 -9.282 -1.148 1.00 2.11 S ATOM 0 H CYS B 53 -3.826 -12.290 -2.319 1.00 1.95 H new ATOM 0 HA CYS B 53 -6.440 -11.987 -1.283 1.00 2.19 H new ATOM 0 HB2 CYS B 53 -4.380 -10.336 -2.317 1.00 2.32 H new ATOM 0 HB3 CYS B 53 -5.751 -10.079 -3.378 1.00 2.32 H new ATOM 2110 N ASN B 54 -7.636 -11.300 -3.741 1.00 2.89 N ATOM 2111 CA ASN B 54 -8.621 -11.422 -4.813 1.00 3.29 C ATOM 2112 C ASN B 54 -8.225 -12.337 -5.960 1.00 2.81 C ATOM 2113 O ASN B 54 -7.451 -11.969 -6.843 1.00 3.19 O ATOM 2114 CB ASN B 54 -8.947 -10.044 -5.375 1.00 4.09 C ATOM 2115 CG ASN B 54 -10.430 -9.763 -5.366 1.00 4.66 C ATOM 2116 OD1 ASN B 54 -11.247 -10.679 -5.421 1.00 4.94 O ATOM 2117 ND2 ASN B 54 -10.784 -8.493 -5.310 1.00 5.04 N ATOM 0 H ASN B 54 -7.672 -10.393 -3.275 1.00 2.89 H new ATOM 0 HA ASN B 54 -9.488 -11.886 -4.344 1.00 3.29 H new ATOM 0 HB2 ASN B 54 -8.431 -9.283 -4.790 1.00 4.09 H new ATOM 0 HB3 ASN B 54 -8.571 -9.971 -6.395 1.00 4.09 H new ATOM 0 HD21 ASN B 54 -11.772 -8.238 -5.311 1.00 5.04 H new ATOM 0 HD22 ASN B 54 -10.070 -7.766 -5.265 1.00 5.04 H new ATOM 2124 N ASN B 55 -8.746 -13.546 -5.885 1.00 2.34 N ATOM 2125 CA ASN B 55 -8.590 -14.564 -6.921 1.00 2.43 C ATOM 2126 C ASN B 55 -7.141 -14.945 -7.233 1.00 2.48 C ATOM 2127 O ASN B 55 -6.815 -15.245 -8.380 1.00 2.67 O ATOM 2128 CB ASN B 55 -9.303 -14.105 -8.195 1.00 2.43 C ATOM 2129 CG ASN B 55 -10.669 -14.748 -8.361 1.00 3.17 C ATOM 2130 OD1 ASN B 55 -10.813 -15.738 -9.078 1.00 3.96 O ATOM 2131 ND2 ASN B 55 -11.684 -14.200 -7.700 1.00 3.19 N ATOM 0 H ASN B 55 -9.301 -13.860 -5.089 1.00 2.34 H new ATOM 0 HA ASN B 55 -9.044 -15.472 -6.524 1.00 2.43 H new ATOM 0 HB2 ASN B 55 -9.415 -13.021 -8.174 1.00 2.43 H new ATOM 0 HB3 ASN B 55 -8.685 -14.345 -9.060 1.00 2.43 H new ATOM 0 HD21 ASN B 55 -12.619 -14.600 -7.778 1.00 3.19 H new ATOM 0 HD22 ASN B 55 -11.528 -13.379 -7.115 1.00 3.19 H new ATOM 2138 N GLY B 56 -6.275 -14.944 -6.230 1.00 2.37 N ATOM 2139 CA GLY B 56 -4.903 -15.364 -6.466 1.00 2.42 C ATOM 2140 C GLY B 56 -3.869 -14.256 -6.417 1.00 2.24 C ATOM 2141 O GLY B 56 -2.777 -14.404 -6.970 1.00 2.22 O ATOM 0 H GLY B 56 -6.489 -14.666 -5.272 1.00 2.37 H new ATOM 0 HA2 GLY B 56 -4.639 -16.118 -5.725 1.00 2.42 H new ATOM 0 HA3 GLY B 56 -4.850 -15.845 -7.443 1.00 2.42 H new ATOM 2145 N ARG B 57 -4.186 -13.145 -5.776 1.00 2.14 N ATOM 2146 CA ARG B 57 -3.229 -12.057 -5.660 1.00 2.01 C ATOM 2147 C ARG B 57 -2.336 -12.297 -4.451 1.00 1.89 C ATOM 2148 O ARG B 57 -2.546 -13.249 -3.714 1.00 1.97 O ATOM 2149 CB ARG B 57 -3.963 -10.735 -5.520 1.00 2.03 C ATOM 2150 CG ARG B 57 -4.448 -10.161 -6.834 1.00 1.91 C ATOM 2151 CD ARG B 57 -5.674 -9.314 -6.597 1.00 1.91 C ATOM 2152 NE ARG B 57 -6.224 -8.748 -7.821 1.00 2.27 N ATOM 2153 CZ ARG B 57 -7.204 -7.854 -7.826 1.00 2.36 C ATOM 2154 NH1 ARG B 57 -7.662 -7.380 -6.675 1.00 2.22 N ATOM 2155 NH2 ARG B 57 -7.712 -7.417 -8.967 1.00 2.75 N ATOM 0 H ARG B 57 -5.088 -12.972 -5.332 1.00 2.14 H new ATOM 0 HA ARG B 57 -2.612 -12.017 -6.557 1.00 2.01 H new ATOM 0 HB2 ARG B 57 -4.818 -10.873 -4.858 1.00 2.03 H new ATOM 0 HB3 ARG B 57 -3.302 -10.013 -5.041 1.00 2.03 H new ATOM 0 HG2 ARG B 57 -3.662 -9.560 -7.292 1.00 1.91 H new ATOM 0 HG3 ARG B 57 -4.680 -10.967 -7.530 1.00 1.91 H new ATOM 0 HD2 ARG B 57 -6.438 -9.920 -6.109 1.00 1.91 H new ATOM 0 HD3 ARG B 57 -5.422 -8.505 -5.911 1.00 1.91 H new ATOM 0 HE ARG B 57 -5.838 -9.053 -8.715 1.00 2.27 H new ATOM 0 HH11 ARG B 57 -7.261 -7.703 -5.795 1.00 2.22 H new ATOM 0 HH12 ARG B 57 -8.415 -6.692 -6.670 1.00 2.22 H new ATOM 0 HH21 ARG B 57 -7.350 -7.768 -9.854 1.00 2.75 H new ATOM 0 HH22 ARG B 57 -8.465 -6.729 -8.960 1.00 2.75 H new ATOM 2169 N CYS B 58 -1.351 -11.451 -4.233 1.00 1.78 N ATOM 2170 CA CYS B 58 -0.465 -11.634 -3.092 1.00 1.71 C ATOM 2171 C CYS B 58 -0.547 -10.455 -2.136 1.00 1.65 C ATOM 2172 O CYS B 58 -0.272 -9.320 -2.522 1.00 1.68 O ATOM 2173 CB CYS B 58 0.989 -11.788 -3.545 1.00 1.69 C ATOM 2174 SG CYS B 58 1.227 -12.762 -5.065 1.00 1.97 S ATOM 0 H CYS B 58 -1.142 -10.641 -4.817 1.00 1.78 H new ATOM 0 HA CYS B 58 -0.791 -12.541 -2.582 1.00 1.71 H new ATOM 0 HB2 CYS B 58 1.412 -10.795 -3.698 1.00 1.69 H new ATOM 0 HB3 CYS B 58 1.556 -12.256 -2.740 1.00 1.69 H new ATOM 2179 N ILE B 59 -0.954 -10.714 -0.901 1.00 1.64 N ATOM 2180 CA ILE B 59 -1.005 -9.663 0.102 1.00 1.65 C ATOM 2181 C ILE B 59 -0.305 -10.132 1.366 1.00 1.59 C ATOM 2182 O ILE B 59 0.074 -11.303 1.465 1.00 1.49 O ATOM 2183 CB ILE B 59 -2.430 -9.175 0.457 1.00 1.73 C ATOM 2184 CG1 ILE B 59 -3.331 -10.322 0.913 1.00 1.67 C ATOM 2185 CG2 ILE B 59 -3.044 -8.446 -0.721 1.00 1.86 C ATOM 2186 CD1 ILE B 59 -4.484 -9.865 1.800 1.00 1.78 C ATOM 0 H ILE B 59 -1.251 -11.633 -0.573 1.00 1.64 H new ATOM 0 HA ILE B 59 -0.497 -8.807 -0.342 1.00 1.65 H new ATOM 0 HB ILE B 59 -2.343 -8.483 1.295 1.00 1.73 H new ATOM 0 HG12 ILE B 59 -3.734 -10.829 0.036 1.00 1.67 H new ATOM 0 HG13 ILE B 59 -2.731 -11.053 1.456 1.00 1.67 H new ATOM 0 HG21 ILE B 59 -4.046 -8.108 -0.458 1.00 1.86 H new ATOM 0 HG22 ILE B 59 -2.427 -7.585 -0.978 1.00 1.86 H new ATOM 0 HG23 ILE B 59 -3.101 -9.120 -1.576 1.00 1.86 H new ATOM 0 HD11 ILE B 59 -5.085 -10.727 2.089 1.00 1.78 H new ATOM 0 HD12 ILE B 59 -4.087 -9.384 2.694 1.00 1.78 H new ATOM 0 HD13 ILE B 59 -5.106 -9.157 1.252 1.00 1.78 H new ATOM 2198 N ASN B 60 -0.119 -9.229 2.320 1.00 1.71 N ATOM 2199 CA ASN B 60 0.534 -9.575 3.575 1.00 1.70 C ATOM 2200 C ASN B 60 -0.279 -10.646 4.291 1.00 1.73 C ATOM 2201 O ASN B 60 -1.502 -10.543 4.392 1.00 1.80 O ATOM 2202 CB ASN B 60 0.692 -8.333 4.459 1.00 1.79 C ATOM 2203 CG ASN B 60 1.641 -8.548 5.628 1.00 1.83 C ATOM 2204 OD1 ASN B 60 1.682 -9.619 6.231 1.00 2.37 O ATOM 2205 ND2 ASN B 60 2.415 -7.523 5.956 1.00 1.75 N ATOM 0 H ASN B 60 -0.410 -8.254 2.249 1.00 1.71 H new ATOM 0 HA ASN B 60 1.530 -9.966 3.365 1.00 1.70 H new ATOM 0 HB2 ASN B 60 1.057 -7.506 3.850 1.00 1.79 H new ATOM 0 HB3 ASN B 60 -0.286 -8.040 4.842 1.00 1.79 H new ATOM 0 HD21 ASN B 60 3.072 -7.608 6.731 1.00 1.75 H new ATOM 0 HD22 ASN B 60 2.353 -6.650 5.433 1.00 1.75 H new ATOM 2212 N ILE B 61 0.403 -11.682 4.766 1.00 1.72 N ATOM 2213 CA ILE B 61 -0.254 -12.784 5.455 1.00 1.82 C ATOM 2214 C ILE B 61 -0.925 -12.313 6.745 1.00 1.96 C ATOM 2215 O ILE B 61 -1.892 -12.915 7.217 1.00 2.09 O ATOM 2216 CB ILE B 61 0.753 -13.927 5.748 1.00 1.84 C ATOM 2217 CG1 ILE B 61 0.039 -15.289 5.830 1.00 1.93 C ATOM 2218 CG2 ILE B 61 1.549 -13.643 7.011 1.00 2.15 C ATOM 2219 CD1 ILE B 61 -0.488 -15.648 7.206 1.00 2.18 C ATOM 0 H ILE B 61 1.415 -11.781 4.685 1.00 1.72 H new ATOM 0 HA ILE B 61 -1.032 -13.170 4.796 1.00 1.82 H new ATOM 0 HB ILE B 61 1.457 -13.974 4.917 1.00 1.84 H new ATOM 0 HG12 ILE B 61 -0.793 -15.290 5.126 1.00 1.93 H new ATOM 0 HG13 ILE B 61 0.731 -16.067 5.507 1.00 1.93 H new ATOM 0 HG21 ILE B 61 2.247 -14.460 7.193 1.00 2.15 H new ATOM 0 HG22 ILE B 61 2.103 -12.712 6.890 1.00 2.15 H new ATOM 0 HG23 ILE B 61 0.868 -13.553 7.857 1.00 2.15 H new ATOM 0 HD11 ILE B 61 -0.974 -16.623 7.166 1.00 2.18 H new ATOM 0 HD12 ILE B 61 0.339 -15.684 7.915 1.00 2.18 H new ATOM 0 HD13 ILE B 61 -1.208 -14.896 7.527 1.00 2.18 H new ATOM 2231 N ASN B 62 -0.439 -11.212 7.287 1.00 1.98 N ATOM 2232 CA ASN B 62 -0.981 -10.673 8.522 1.00 2.17 C ATOM 2233 C ASN B 62 -1.921 -9.501 8.253 1.00 2.22 C ATOM 2234 O ASN B 62 -1.810 -8.446 8.877 1.00 2.45 O ATOM 2235 CB ASN B 62 0.150 -10.242 9.451 1.00 2.27 C ATOM 2236 CG ASN B 62 -0.178 -10.500 10.906 1.00 2.19 C ATOM 2237 OD1 ASN B 62 -0.867 -11.465 11.240 1.00 2.08 O ATOM 2238 ND2 ASN B 62 0.310 -9.646 11.785 1.00 2.51 N ATOM 0 H ASN B 62 0.331 -10.672 6.892 1.00 1.98 H new ATOM 0 HA ASN B 62 -1.559 -11.460 9.006 1.00 2.17 H new ATOM 0 HB2 ASN B 62 1.061 -10.778 9.185 1.00 2.27 H new ATOM 0 HB3 ASN B 62 0.351 -9.180 9.308 1.00 2.27 H new ATOM 0 HD21 ASN B 62 0.121 -9.773 12.779 1.00 2.51 H new ATOM 0 HD22 ASN B 62 0.877 -8.858 11.471 1.00 2.51 H new ATOM 2245 N TRP B 63 -2.844 -9.691 7.321 1.00 2.06 N ATOM 2246 CA TRP B 63 -3.812 -8.651 6.987 1.00 2.14 C ATOM 2247 C TRP B 63 -5.189 -9.029 7.514 1.00 2.25 C ATOM 2248 O TRP B 63 -6.165 -8.295 7.350 1.00 2.46 O ATOM 2249 CB TRP B 63 -3.866 -8.430 5.476 1.00 1.96 C ATOM 2250 CG TRP B 63 -3.144 -7.192 5.036 1.00 1.90 C ATOM 2251 CD1 TRP B 63 -2.069 -6.611 5.645 1.00 1.97 C ATOM 2252 CD2 TRP B 63 -3.448 -6.378 3.896 1.00 1.85 C ATOM 2253 NE1 TRP B 63 -1.682 -5.491 4.949 1.00 1.96 N ATOM 2254 CE2 TRP B 63 -2.515 -5.326 3.875 1.00 1.89 C ATOM 2255 CE3 TRP B 63 -4.418 -6.438 2.893 1.00 1.89 C ATOM 2256 CZ2 TRP B 63 -2.522 -4.343 2.884 1.00 1.95 C ATOM 2257 CZ3 TRP B 63 -4.427 -5.463 1.914 1.00 1.97 C ATOM 2258 CH2 TRP B 63 -3.484 -4.427 1.916 1.00 1.99 C ATOM 0 H TRP B 63 -2.945 -10.552 6.783 1.00 2.06 H new ATOM 0 HA TRP B 63 -3.496 -7.720 7.459 1.00 2.14 H new ATOM 0 HB2 TRP B 63 -3.433 -9.294 4.973 1.00 1.96 H new ATOM 0 HB3 TRP B 63 -4.908 -8.367 5.161 1.00 1.96 H new ATOM 0 HD1 TRP B 63 -1.593 -6.978 6.542 1.00 1.97 H new ATOM 0 HE1 TRP B 63 -0.901 -4.882 5.193 1.00 1.96 H new ATOM 0 HE3 TRP B 63 -5.149 -7.233 2.883 1.00 1.89 H new ATOM 0 HZ2 TRP B 63 -1.794 -3.545 2.882 1.00 1.95 H new ATOM 0 HZ3 TRP B 63 -5.173 -5.500 1.134 1.00 1.97 H new ATOM 0 HH2 TRP B 63 -3.518 -3.680 1.137 1.00 1.99 H new ATOM 2269 N ARG B 64 -5.251 -10.181 8.173 1.00 2.20 N ATOM 2270 CA ARG B 64 -6.493 -10.677 8.744 1.00 2.32 C ATOM 2271 C ARG B 64 -7.096 -9.618 9.651 1.00 2.47 C ATOM 2272 O ARG B 64 -8.076 -8.971 9.273 1.00 2.51 O ATOM 2273 CB ARG B 64 -6.227 -11.972 9.498 1.00 2.46 C ATOM 2274 CG ARG B 64 -7.375 -12.964 9.456 1.00 2.52 C ATOM 2275 CD ARG B 64 -7.396 -13.718 8.138 1.00 2.48 C ATOM 2276 NE ARG B 64 -7.773 -15.116 8.308 1.00 2.44 N ATOM 2277 CZ ARG B 64 -8.120 -15.917 7.301 1.00 2.56 C ATOM 2278 NH1 ARG B 64 -8.158 -15.452 6.055 1.00 2.57 N ATOM 2279 NH2 ARG B 64 -8.420 -17.184 7.539 1.00 3.01 N ATOM 0 H ARG B 64 -4.448 -10.791 8.324 1.00 2.20 H new ATOM 0 HA ARG B 64 -7.210 -10.889 7.951 1.00 2.32 H new ATOM 0 HB2 ARG B 64 -5.337 -12.445 9.082 1.00 2.46 H new ATOM 0 HB3 ARG B 64 -6.005 -11.734 10.538 1.00 2.46 H new ATOM 0 HG2 ARG B 64 -7.280 -13.670 10.281 1.00 2.52 H new ATOM 0 HG3 ARG B 64 -8.320 -12.438 9.593 1.00 2.52 H new ATOM 0 HD2 ARG B 64 -8.096 -13.235 7.457 1.00 2.48 H new ATOM 0 HD3 ARG B 64 -6.411 -13.663 7.674 1.00 2.48 H new ATOM 0 HE ARG B 64 -7.771 -15.503 9.252 1.00 2.44 H new ATOM 0 HH11 ARG B 64 -7.921 -14.478 5.867 1.00 2.57 H new ATOM 0 HH12 ARG B 64 -8.424 -16.070 5.288 1.00 2.57 H new ATOM 0 HH21 ARG B 64 -8.385 -17.546 8.492 1.00 3.01 H new ATOM 0 HH22 ARG B 64 -8.686 -17.798 6.769 1.00 3.01 H new ATOM 2293 N CYS B 65 -6.489 -9.444 10.814 1.00 3.03 N ATOM 2294 CA CYS B 65 -6.889 -8.432 11.801 1.00 3.20 C ATOM 2295 C CYS B 65 -8.266 -8.690 12.421 1.00 3.33 C ATOM 2296 O CYS B 65 -8.367 -9.019 13.602 1.00 3.59 O ATOM 2297 CB CYS B 65 -6.815 -7.036 11.158 1.00 2.96 C ATOM 2298 SG CYS B 65 -6.214 -7.872 11.683 1.00 2.51 S ATOM 0 H CYS B 65 -5.692 -10.006 11.111 1.00 3.03 H new ATOM 0 HA CYS B 65 -6.187 -8.493 12.633 1.00 3.20 H new ATOM 0 HB2 CYS B 65 -6.807 -6.849 10.084 1.00 2.96 H new ATOM 0 HB3 CYS B 65 -7.144 -6.115 11.639 1.00 2.96 H new ATOM 0 HG CYS B 65 -7.008 -8.564 12.445 1.00 2.51 H new ATOM 2303 N ASP B 66 -9.303 -8.561 11.619 1.00 3.24 N ATOM 2304 CA ASP B 66 -10.688 -8.735 12.064 1.00 3.42 C ATOM 2305 C ASP B 66 -11.012 -10.168 12.478 1.00 3.78 C ATOM 2306 O ASP B 66 -12.083 -10.424 13.033 1.00 3.62 O ATOM 2307 CB ASP B 66 -11.638 -8.307 10.956 1.00 3.16 C ATOM 2308 CG ASP B 66 -11.752 -9.339 9.849 1.00 3.09 C ATOM 2309 OD1 ASP B 66 -10.719 -9.723 9.264 1.00 2.90 O ATOM 2310 OD2 ASP B 66 -12.887 -9.777 9.578 1.00 3.31 O ATOM 0 H ASP B 66 -9.217 -8.330 10.629 1.00 3.24 H new ATOM 0 HA ASP B 66 -10.814 -8.109 12.948 1.00 3.42 H new ATOM 0 HB2 ASP B 66 -12.625 -8.125 11.380 1.00 3.16 H new ATOM 0 HB3 ASP B 66 -11.294 -7.363 10.533 1.00 3.16 H new ATOM 2315 N ASN B 67 -10.108 -11.091 12.165 1.00 4.42 N ATOM 2316 CA ASN B 67 -10.254 -12.509 12.515 1.00 4.97 C ATOM 2317 C ASN B 67 -11.236 -13.241 11.613 1.00 5.09 C ATOM 2318 O ASN B 67 -11.659 -14.353 11.927 1.00 5.60 O ATOM 2319 CB ASN B 67 -10.659 -12.684 13.982 1.00 5.43 C ATOM 2320 CG ASN B 67 -9.469 -12.673 14.919 1.00 6.24 C ATOM 2321 OD1 ASN B 67 -8.372 -12.246 14.552 1.00 7.06 O ATOM 2322 ND2 ASN B 67 -9.678 -13.128 16.140 1.00 6.22 N ATOM 0 H ASN B 67 -9.248 -10.880 11.659 1.00 4.42 H new ATOM 0 HA ASN B 67 -9.272 -12.958 12.362 1.00 4.97 H new ATOM 0 HB2 ASN B 67 -11.346 -11.886 14.263 1.00 5.43 H new ATOM 0 HB3 ASN B 67 -11.199 -13.624 14.097 1.00 5.43 H new ATOM 0 HD21 ASN B 67 -8.917 -13.135 16.819 1.00 6.22 H new ATOM 0 HD22 ASN B 67 -10.601 -13.473 16.405 1.00 6.22 H new ATOM 2329 N ASP B 68 -11.603 -12.631 10.498 1.00 4.70 N ATOM 2330 CA ASP B 68 -12.508 -13.279 9.558 1.00 4.92 C ATOM 2331 C ASP B 68 -11.774 -13.549 8.256 1.00 4.72 C ATOM 2332 O ASP B 68 -10.553 -13.359 8.175 1.00 4.42 O ATOM 2333 CB ASP B 68 -13.768 -12.453 9.295 1.00 4.89 C ATOM 2334 CG ASP B 68 -15.000 -13.050 9.941 1.00 5.62 C ATOM 2335 OD1 ASP B 68 -15.486 -14.095 9.454 1.00 6.34 O ATOM 2336 OD2 ASP B 68 -15.495 -12.467 10.929 1.00 5.65 O ATOM 0 H ASP B 68 -11.294 -11.699 10.222 1.00 4.70 H new ATOM 0 HA ASP B 68 -12.834 -14.218 10.005 1.00 4.92 H new ATOM 0 HB2 ASP B 68 -13.619 -11.441 9.671 1.00 4.89 H new ATOM 0 HB3 ASP B 68 -13.928 -12.374 8.220 1.00 4.89 H new ATOM 2341 N ASN B 69 -12.521 -13.826 7.202 1.00 4.88 N ATOM 2342 CA ASN B 69 -11.911 -14.178 5.936 1.00 4.78 C ATOM 2343 C ASN B 69 -11.846 -12.966 5.035 1.00 4.50 C ATOM 2344 O ASN B 69 -12.842 -12.287 4.773 1.00 4.72 O ATOM 2345 CB ASN B 69 -12.676 -15.326 5.258 1.00 5.19 C ATOM 2346 CG ASN B 69 -14.141 -15.012 5.007 1.00 4.97 C ATOM 2347 OD1 ASN B 69 -15.611 -13.838 6.680 1.00 5.19 O ATOM 2348 ND2 ASN B 69 -16.005 -13.711 4.481 1.00 4.30 N ATOM 0 H ASN B 69 -13.541 -13.814 7.198 1.00 4.88 H new ATOM 0 HA ASN B 69 -10.895 -14.524 6.125 1.00 4.78 H new ATOM 0 HB2 ASN B 69 -12.195 -15.562 4.309 1.00 5.19 H new ATOM 0 HB3 ASN B 69 -12.605 -16.217 5.881 1.00 5.19 H new ATOM 0 HD21 ASN B 69 -16.546 -13.270 5.225 1.00 4.30 H new ATOM 0 HD22 ASN B 69 -16.279 -13.583 3.507 1.00 4.30 H new ATOM 2355 N ASP B 70 -10.625 -12.699 4.606 1.00 4.08 N ATOM 2356 CA ASP B 70 -10.296 -11.560 3.787 1.00 3.84 C ATOM 2357 C ASP B 70 -10.618 -11.801 2.315 1.00 3.67 C ATOM 2358 O ASP B 70 -11.655 -12.377 1.983 1.00 4.34 O ATOM 2359 CB ASP B 70 -8.805 -11.268 3.964 1.00 3.63 C ATOM 2360 CG ASP B 70 -8.254 -11.790 5.277 1.00 4.17 C ATOM 2361 OD1 ASP B 70 -8.304 -11.053 6.288 1.00 3.62 O ATOM 2362 OD2 ASP B 70 -7.780 -12.954 5.298 1.00 5.28 O ATOM 0 H ASP B 70 -9.820 -13.286 4.826 1.00 4.08 H new ATOM 0 HA ASP B 70 -10.898 -10.708 4.103 1.00 3.84 H new ATOM 0 HB2 ASP B 70 -8.251 -11.717 3.139 1.00 3.63 H new ATOM 0 HB3 ASP B 70 -8.642 -10.192 3.909 1.00 3.63 H new ATOM 2367 N CYS B 71 -9.724 -11.327 1.450 1.00 2.96 N ATOM 2368 CA CYS B 71 -9.847 -11.452 0.001 1.00 2.77 C ATOM 2369 C CYS B 71 -10.373 -12.808 -0.469 1.00 3.45 C ATOM 2370 O CYS B 71 -10.130 -13.852 0.140 1.00 4.27 O ATOM 2371 CB CYS B 71 -8.489 -11.232 -0.639 1.00 2.13 C ATOM 2372 SG CYS B 71 -8.210 -9.568 -1.332 1.00 2.05 S ATOM 0 H CYS B 71 -8.879 -10.837 1.743 1.00 2.96 H new ATOM 0 HA CYS B 71 -10.575 -10.699 -0.301 1.00 2.77 H new ATOM 0 HB2 CYS B 71 -7.719 -11.430 0.106 1.00 2.13 H new ATOM 0 HB3 CYS B 71 -8.359 -11.965 -1.435 1.00 2.13 H new ATOM 2377 N GLY B 72 -11.055 -12.757 -1.598 1.00 3.23 N ATOM 2378 CA GLY B 72 -11.631 -13.931 -2.218 1.00 3.84 C ATOM 2379 C GLY B 72 -12.477 -13.505 -3.389 1.00 3.07 C ATOM 2380 O GLY B 72 -12.200 -13.843 -4.537 1.00 3.24 O ATOM 0 H GLY B 72 -11.225 -11.893 -2.113 1.00 3.23 H new ATOM 0 HA2 GLY B 72 -10.842 -14.606 -2.550 1.00 3.84 H new ATOM 0 HA3 GLY B 72 -12.237 -14.479 -1.496 1.00 3.84 H new ATOM 2384 N ASP B 73 -13.496 -12.732 -3.072 1.00 2.54 N ATOM 2385 CA ASP B 73 -14.407 -12.174 -4.065 1.00 2.36 C ATOM 2386 C ASP B 73 -14.235 -10.658 -4.063 1.00 2.40 C ATOM 2387 O ASP B 73 -14.457 -9.970 -5.059 1.00 3.05 O ATOM 2388 CB ASP B 73 -15.850 -12.582 -3.743 1.00 3.36 C ATOM 2389 CG ASP B 73 -16.892 -11.626 -4.293 1.00 4.15 C ATOM 2390 OD1 ASP B 73 -17.271 -11.764 -5.477 1.00 4.61 O ATOM 2391 OD2 ASP B 73 -17.346 -10.736 -3.540 1.00 4.72 O ATOM 0 H ASP B 73 -13.721 -12.468 -2.113 1.00 2.54 H new ATOM 0 HA ASP B 73 -14.180 -12.559 -5.059 1.00 2.36 H new ATOM 0 HB2 ASP B 73 -16.035 -13.578 -4.146 1.00 3.36 H new ATOM 0 HB3 ASP B 73 -15.966 -12.649 -2.661 1.00 3.36 H new ATOM 2396 N ASN B 74 -13.796 -10.168 -2.916 1.00 2.37 N ATOM 2397 CA ASN B 74 -13.524 -8.772 -2.697 1.00 3.13 C ATOM 2398 C ASN B 74 -12.158 -8.697 -2.021 1.00 3.42 C ATOM 2399 O ASN B 74 -11.506 -9.731 -1.857 1.00 3.57 O ATOM 2400 CB ASN B 74 -14.611 -8.139 -1.811 1.00 3.79 C ATOM 2401 CG ASN B 74 -14.851 -6.667 -2.113 1.00 4.80 C ATOM 2402 OD1 ASN B 74 -14.105 -5.798 -1.662 1.00 4.32 O ATOM 2403 ND2 ASN B 74 -15.909 -6.374 -2.860 1.00 4.41 N ATOM 0 H ASN B 74 -13.617 -10.750 -2.097 1.00 2.37 H new ATOM 0 HA ASN B 74 -13.524 -8.220 -3.637 1.00 3.13 H new ATOM 0 HB2 ASN B 74 -15.544 -8.687 -1.945 1.00 3.79 H new ATOM 0 HB3 ASN B 74 -14.325 -8.246 -0.765 1.00 3.79 H new ATOM 0 HD21 ASN B 74 -16.126 -5.401 -3.078 1.00 4.41 H new ATOM 0 HD22 ASN B 74 -16.505 -7.122 -3.216 1.00 4.41 H new ATOM 2410 N SER B 75 -11.714 -7.512 -1.639 1.00 3.55 N ATOM 2411 CA SER B 75 -10.426 -7.365 -0.979 1.00 3.81 C ATOM 2412 C SER B 75 -10.480 -7.891 0.456 1.00 3.71 C ATOM 2413 O SER B 75 -11.547 -8.260 0.944 1.00 3.96 O ATOM 2414 CB SER B 75 -10.013 -5.905 -0.984 1.00 4.00 C ATOM 2415 OG SER B 75 -10.887 -5.135 -1.797 1.00 4.04 O ATOM 0 H SER B 75 -12.224 -6.639 -1.774 1.00 3.55 H new ATOM 0 HA SER B 75 -9.689 -7.953 -1.526 1.00 3.81 H new ATOM 0 HB2 SER B 75 -10.021 -5.517 0.035 1.00 4.00 H new ATOM 0 HB3 SER B 75 -8.991 -5.813 -1.352 1.00 4.00 H new ATOM 0 HG SER B 75 -10.360 -4.587 -2.416 1.00 4.04 H new ATOM 2421 N ASP B 76 -9.324 -7.939 1.119 1.00 3.43 N ATOM 2422 CA ASP B 76 -9.244 -8.414 2.497 1.00 3.36 C ATOM 2423 C ASP B 76 -10.226 -7.682 3.405 1.00 3.50 C ATOM 2424 O ASP B 76 -11.050 -8.311 4.068 1.00 3.46 O ATOM 2425 CB ASP B 76 -7.808 -8.278 3.036 1.00 3.17 C ATOM 2426 CG ASP B 76 -7.760 -7.798 4.471 1.00 2.75 C ATOM 2427 OD1 ASP B 76 -8.018 -8.623 5.367 1.00 2.46 O ATOM 2428 OD2 ASP B 76 -7.471 -6.591 4.689 1.00 3.09 O ATOM 0 H ASP B 76 -8.429 -7.654 0.721 1.00 3.43 H new ATOM 0 HA ASP B 76 -9.520 -9.469 2.495 1.00 3.36 H new ATOM 0 HB2 ASP B 76 -7.305 -9.243 2.964 1.00 3.17 H new ATOM 0 HB3 ASP B 76 -7.254 -7.582 2.407 1.00 3.17 H new ATOM 2433 N GLU B 77 -10.152 -6.361 3.419 1.00 3.75 N ATOM 2434 CA GLU B 77 -11.027 -5.570 4.262 1.00 3.99 C ATOM 2435 C GLU B 77 -10.981 -4.115 3.868 1.00 4.14 C ATOM 2436 O GLU B 77 -11.998 -3.523 3.505 1.00 4.34 O ATOM 2437 CB GLU B 77 -10.595 -5.693 5.721 1.00 4.02 C ATOM 2438 CG GLU B 77 -11.648 -6.284 6.632 1.00 3.47 C ATOM 2439 CD GLU B 77 -11.180 -6.340 8.066 1.00 3.50 C ATOM 2440 OE1 GLU B 77 -11.385 -5.343 8.800 1.00 4.26 O ATOM 2441 OE2 GLU B 77 -10.601 -7.372 8.455 1.00 2.95 O ATOM 0 H GLU B 77 -9.497 -5.817 2.857 1.00 3.75 H new ATOM 0 HA GLU B 77 -12.043 -5.945 4.137 1.00 3.99 H new ATOM 0 HB2 GLU B 77 -9.698 -6.311 5.772 1.00 4.02 H new ATOM 0 HB3 GLU B 77 -10.323 -4.705 6.092 1.00 4.02 H new ATOM 0 HG2 GLU B 77 -12.559 -5.688 6.570 1.00 3.47 H new ATOM 0 HG3 GLU B 77 -11.900 -7.289 6.292 1.00 3.47 H new ATOM 2448 N ALA B 78 -9.777 -3.565 3.948 1.00 4.10 N ATOM 2449 CA ALA B 78 -9.517 -2.157 3.653 1.00 4.27 C ATOM 2450 C ALA B 78 -10.131 -1.282 4.743 1.00 4.24 C ATOM 2451 O ALA B 78 -10.350 -0.089 4.555 1.00 4.47 O ATOM 2452 CB ALA B 78 -10.035 -1.768 2.271 1.00 4.26 C ATOM 0 H ALA B 78 -8.944 -4.086 4.222 1.00 4.10 H new ATOM 0 HA ALA B 78 -8.439 -1.999 3.641 1.00 4.27 H new ATOM 0 HB1 ALA B 78 -9.824 -0.715 2.087 1.00 4.26 H new ATOM 0 HB2 ALA B 78 -9.540 -2.375 1.513 1.00 4.26 H new ATOM 0 HB3 ALA B 78 -11.111 -1.936 2.225 1.00 4.26 H new ATOM 2458 N GLY B 79 -10.394 -1.901 5.891 1.00 4.25 N ATOM 2459 CA GLY B 79 -10.977 -1.195 7.012 1.00 4.39 C ATOM 2460 C GLY B 79 -9.991 -1.025 8.152 1.00 4.26 C ATOM 2461 O GLY B 79 -9.493 0.077 8.385 1.00 4.97 O ATOM 0 H GLY B 79 -10.210 -2.890 6.062 1.00 4.25 H new ATOM 0 HA2 GLY B 79 -11.323 -0.215 6.683 1.00 4.39 H new ATOM 0 HA3 GLY B 79 -11.852 -1.739 7.368 1.00 4.39 H new ATOM 2465 N CYS B 80 -9.691 -2.113 8.854 1.00 3.60 N ATOM 2466 CA CYS B 80 -8.755 -2.057 9.975 1.00 3.50 C ATOM 2467 C CYS B 80 -7.312 -2.214 9.491 1.00 3.27 C ATOM 2468 O CYS B 80 -6.368 -2.111 10.279 1.00 3.69 O ATOM 2469 CB CYS B 80 -9.077 -3.146 11.006 1.00 3.34 C ATOM 2470 SG CYS B 80 -8.738 -4.839 10.417 1.00 2.84 S ATOM 0 H CYS B 80 -10.078 -3.038 8.670 1.00 3.60 H new ATOM 0 HA CYS B 80 -8.861 -1.080 10.447 1.00 3.50 H new ATOM 0 HB2 CYS B 80 -8.495 -2.962 11.909 1.00 3.34 H new ATOM 0 HB3 CYS B 80 -10.128 -3.071 11.284 1.00 3.34 H new ATOM 0 HG CYS B 80 -9.789 -5.307 9.812 1.00 2.84 H new ATOM 2475 N SER B 81 -7.148 -2.459 8.193 1.00 2.94 N ATOM 2476 CA SER B 81 -5.828 -2.636 7.599 1.00 2.97 C ATOM 2477 C SER B 81 -4.982 -1.364 7.733 1.00 2.84 C ATOM 2478 O SER B 81 -4.034 -1.321 8.518 1.00 2.59 O ATOM 2479 CB SER B 81 -5.977 -3.036 6.129 1.00 3.40 C ATOM 2480 OG SER B 81 -7.213 -3.704 5.911 1.00 3.94 O ATOM 0 H SER B 81 -7.919 -2.540 7.530 1.00 2.94 H new ATOM 0 HA SER B 81 -5.309 -3.430 8.135 1.00 2.97 H new ATOM 0 HB2 SER B 81 -5.922 -2.149 5.498 1.00 3.40 H new ATOM 0 HB3 SER B 81 -5.151 -3.685 5.838 1.00 3.40 H new ATOM 0 HG SER B 81 -7.044 -4.581 5.507 1.00 3.94 H new ATOM 2486 N HIS B 82 -5.335 -0.326 6.978 1.00 3.54 N ATOM 2487 CA HIS B 82 -4.609 0.944 7.023 1.00 3.86 C ATOM 2488 C HIS B 82 -5.458 2.050 6.408 1.00 4.35 C ATOM 2489 O HIS B 82 -6.098 1.836 5.380 1.00 4.52 O ATOM 2490 CB HIS B 82 -3.269 0.832 6.276 1.00 4.15 C ATOM 2491 CG HIS B 82 -2.363 2.020 6.451 1.00 4.72 C ATOM 2492 ND1 HIS B 82 -1.729 2.646 5.399 1.00 5.69 N ATOM 2493 CD2 HIS B 82 -1.973 2.687 7.567 1.00 4.84 C ATOM 2494 CE1 HIS B 82 -0.997 3.643 5.858 1.00 6.28 C ATOM 2495 NE2 HIS B 82 -1.127 3.688 7.168 1.00 5.83 N ATOM 0 H HIS B 82 -6.120 -0.338 6.327 1.00 3.54 H new ATOM 0 HA HIS B 82 -4.403 1.187 8.065 1.00 3.86 H new ATOM 0 HB2 HIS B 82 -2.748 -0.062 6.620 1.00 4.15 H new ATOM 0 HB3 HIS B 82 -3.469 0.695 5.213 1.00 4.15 H new ATOM 0 HD2 HIS B 82 -2.274 2.469 8.581 1.00 4.84 H new ATOM 0 HE1 HIS B 82 -0.393 4.310 5.260 1.00 6.28 H new ATOM 0 HE2 HIS B 82 -0.671 4.360 7.786 1.00 5.83 H new TER 2504 HIS B 82 HETATM 2505 CA CA B 83 10.053 -3.221 -0.660 1.00 2.38 CA HETATM 2506 CA CA B 84 -8.915 -9.036 7.655 1.00 2.79 CA CONECT 1435 1597 CONECT 1535 1785 CONECT 1597 1435 CONECT 1668 2505 CONECT 1692 2505 CONECT 1708 1908 CONECT 1719 2505 CONECT 1747 2505 CONECT 1774 2505 CONECT 1785 1535 CONECT 1850 2505 CONECT 1864 2505 CONECT 1908 1708 CONECT 1977 2174 CONECT 2105 2372 CONECT 2174 1977 CONECT 2248 2506 CONECT 2272 2506 CONECT 2309 2506 CONECT 2361 2506 CONECT 2372 2105 CONECT 2427 2506 CONECT 2441 2506 CONECT 2505 1668 1692 1719 1747 CONECT 2505 1774 1850 1864 CONECT 2506 2248 2272 2309 2361 CONECT 2506 2427 2441 END