USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 425 hydrogens (2 hets) HEADER HORMONE/GROWTH FACTOR 13-OCT-99 1D6G TITLE MOLECULAR COMPLEX OF CHOLECYSTOKININ-8 AND N-TERMINUS OF TITLE 2 THE CHOLECYSTOKININ A RECEPTOR BY NMR SPECTROSCOPY COMPND MOL_ID: 1; COMPND 2 MOLECULE: CHOLECYSTOKININ TYPE A RECEPTOR; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: N-TERMINAL DOMAIN (1-47); COMPND 5 SYNONYM: CCK-A-RECEPTOR; COMPND 6 ENGINEERED: YES; COMPND 7 MOL_ID: 2; COMPND 8 MOLECULE: CHOLECYSTOKININ-8; COMPND 9 CHAIN: B; COMPND 0 FRAGMENT: C-TERMINAL FRAGMENT; COMPND 1 SYNONYM: CCK-8; COMPND 2 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 OTHER_DETAILS: THE PROTEIN WAS CHEMICALLY SYNTHESIZED. SOURCE 4 THIS SEQUENCE OCCURS NATURALLY IN HOMO SAPIENS (HUMANS).; SOURCE 5 MOL_ID: 2; SOURCE 6 SYNTHETIC: YES; SOURCE 7 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED. SOURCE 8 THIS SEQUENCE OCCURS NATURALLY IN HOMO SAPIENS (HUMANS). KEYWDS ALPHA-HELIX, BETA-SHEET, COMPLEX GPCR-LIGAND, KEYWDS 2 HORMONE/GROWTH FACTOR COMPLEX EXPDTA SOLUTION NMR AUTHOR M.PELLEGRINI,D.F.MIERKE REVDAT 2 24-FEB-09 1D6G 1 VERSN REVDAT 1 17-NOV-99 1D6G 0 JRNL AUTH M.PELLEGRINI,D.F.MIERKE JRNL TITL MOLECULAR COMPLEX OF CHOLECYSTOKININ-8 AND JRNL TITL 2 N-TERMINUS OF THE CHOLECYSTOKININ A RECEPTOR BY JRNL TITL 3 NMR SPECTROSCOPY. JRNL REF BIOCHEMISTRY V. 38 14775 1999 JRNL REFN ISSN 0006-2960 JRNL PMID 10555959 JRNL DOI 10.1021/BI991272L REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : GROMACS 1.6 REMARK 3 AUTHORS : VAN DER SPOEL, D.; VAN BUUREN, A.R.; APOL, E.; REMARK 3 MEULENHOFF, P.J.; TIELMAN, D.P.; SIJBERS, REMARK 3 A.L.T.M.; VAN DRUNEN, R.; BERENDSEN, H.J.C. REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: THE STRUCTURES OF CCK-A-R(1-47) AND REMARK 3 CCK-8 WERE CALCULATED SEPARATELY. THE COMPLEX WAS CALCULATED REMARK 3 USING INTRA- AND INTERMOLECULAR NOES USING SIMULATED ANNEALING REMARK 3 AND MOLECULAR DYNAMICS CALCULATIONS. THE CALCULATIONS UTILIZED REMARK 3 EXPLICIT SOLVENT, AS A DECANE/WATER SIMULATION CELL. REMARK 4 REMARK 4 1D6G COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 14-OCT-99. REMARK 100 THE RCSB ID CODE IS RCSB009832. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 285; 298; 308; 308 REMARK 210 PH : 6.5; 6.5; 6.5; 6.5 REMARK 210 IONIC STRENGTH : NULL; NULL; NULL; NULL REMARK 210 PRESSURE : AMBIENT; AMBIENT; AMBIENT; REMARK 210 AMBIENT REMARK 210 SAMPLE CONTENTS : 1.6MM CCK-A_R(1-47); 171 MM REMARK 210 DPC-D38; 1.5MM CCK-8; 137MM REMARK 210 DPC-D38; 0.8MM CCK-A-R(1-47) + REMARK 210 0.37-3MM CCK-8; 171 MM DPC- REMARK 210 D38; 1.6MM CCK-A-R(1-47) + 3MM REMARK 210 CCK-8; 171 MM DPC-D38 REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ, 600 MHZ, 750 MHZ REMARK 210 SPECTROMETER MODEL : UNITY, DRX REMARK 210 SPECTROMETER MANUFACTURER : VARIAN, BRUKER, CUSTOM REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : DISTANCE GEOMETRY HOME WRITTEN REMARK 210 METHOD USED : DISTANCE GEOMETRY, SIMULATED REMARK 210 ANNEALING, MOLECULAR DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL 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 LEU A 47 C LEU A 47 OXT 0.144 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 ARG A 34 NE - CZ - NH1 ANGL. DEV. = 3.9 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 VAL A 4 70.42 55.46 REMARK 500 SER A 12 -84.52 79.24 REMARK 500 CYS A 29 -69.78 74.13 REMARK 500 GLN A 32 107.26 78.08 REMARK 500 LYS A 37 -118.83 -149.38 REMARK 500 TRP A 39 -136.76 52.26 REMARK 500 LEU A 46 82.68 74.64 REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NH2 B 9 DBREF 1D6G A 1 47 UNP P32238 CCKAR_HUMAN 1 47 DBREF 1D6G B 1 9 PDB 1D6G 1D6G 1 9 SEQADV 1D6G GLN A 43 UNP P32238 VAL 43 CONFLICT SEQADV 1D6G VAL A 44 UNP P32238 GLN 44 CONFLICT SEQRES 1 A 47 MET ASP VAL VAL ASP SER LEU LEU VAL ASN GLY SER ASN SEQRES 2 A 47 ILE THR PRO PRO CYS GLU LEU GLY LEU GLU ASN GLU THR SEQRES 3 A 47 LEU PHE CYS LEU ASP GLN PRO ARG PRO SER LYS GLU TRP SEQRES 4 A 47 GLN PRO ALA GLN VAL ILE LEU LEU SEQRES 1 B 9 ASP TYR MET GLY TRP MET ASP PHE NH2 HET NH2 B 9 3 HETNAM NH2 AMINO GROUP FORMUL 2 NH2 H2 N HELIX 1 1 GLU A 38 ILE A 45 1 8 SSBOND *** CYS A 18 CYS A 29 1555 1555 2.00 LINK C PHE B 8 N NH2 B 9 1555 1555 1.33 CISPEP 1 ARG A 34 PRO A 35 0 -10.90 SITE *** AC1 1 PHE B 8 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 13 ASN : amide:sc= 0.0429 K(o=0.26,f=-0.31) USER MOD Set 1.2: A 15 THR OG1 : rot 30:sc= 0.218 USER MOD Set 1.3: A 40 GLN : amide:sc= 0 X(o=0.26,f=0.25) USER MOD Set 2.1: A 12 SER OG : rot 66:sc= 0.299 USER MOD Set 2.2: A 36 SER OG : rot 70:sc= 0.191 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 THR OG1 : rot 44:sc= 0.197 USER MOD Single : A 32 GLN : amide:sc= -0.0251 X(o=-0.025,f=-0.36) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= 0.386 K(o=0.39,f=-2!) USER MOD Single : B 1 ASP N :NH3+ 127:sc= 0.00638 (180deg=0) USER MOD Single : B 2 TYR OH : rot 180:sc= 0 USER MOD Single : B 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 29.704 68.186 63.480 1.00 0.00 N ATOM 2 CA MET A 1 28.658 67.182 63.180 1.00 0.00 C ATOM 3 C MET A 1 27.943 67.549 61.852 1.00 0.00 C ATOM 4 O MET A 1 27.587 68.709 61.612 1.00 0.00 O ATOM 5 CB MET A 1 27.666 67.079 64.369 1.00 0.00 C ATOM 6 CG MET A 1 26.774 65.824 64.355 1.00 0.00 C ATOM 7 SD MET A 1 25.628 65.873 65.747 1.00 0.00 S ATOM 8 CE MET A 1 24.858 64.248 65.624 1.00 0.00 C ATOM 0 H1 MET A 1 30.180 67.936 64.370 1.00 0.00 H new ATOM 0 H2 MET A 1 30.400 68.203 62.708 1.00 0.00 H new ATOM 0 H3 MET A 1 29.267 69.125 63.573 1.00 0.00 H new ATOM 0 HA MET A 1 29.113 66.200 63.049 1.00 0.00 H new ATOM 0 HB2 MET A 1 28.233 67.095 65.300 1.00 0.00 H new ATOM 0 HB3 MET A 1 27.027 67.962 64.369 1.00 0.00 H new ATOM 0 HG2 MET A 1 26.220 65.771 63.418 1.00 0.00 H new ATOM 0 HG3 MET A 1 27.391 64.927 64.412 1.00 0.00 H new ATOM 0 HE1 MET A 1 24.124 64.132 66.421 1.00 0.00 H new ATOM 0 HE2 MET A 1 24.362 64.152 64.658 1.00 0.00 H new ATOM 0 HE3 MET A 1 25.621 63.476 65.718 1.00 0.00 H new ATOM 20 N ASP A 2 27.670 66.522 61.025 1.00 0.00 N ATOM 21 CA ASP A 2 26.838 66.665 59.792 1.00 0.00 C ATOM 22 C ASP A 2 25.341 67.029 60.062 1.00 0.00 C ATOM 23 O ASP A 2 24.827 67.944 59.411 1.00 0.00 O ATOM 24 CB ASP A 2 26.943 65.397 58.900 1.00 0.00 C ATOM 25 CG ASP A 2 28.326 65.141 58.281 1.00 0.00 C ATOM 26 OD1 ASP A 2 28.652 65.767 57.248 1.00 0.00 O ATOM 27 OD2 ASP A 2 29.092 64.317 58.828 1.00 0.00 O ATOM 0 H ASP A 2 28.012 65.574 61.181 1.00 0.00 H new ATOM 0 HA ASP A 2 27.256 67.519 59.259 1.00 0.00 H new ATOM 0 HB2 ASP A 2 26.664 64.529 59.497 1.00 0.00 H new ATOM 0 HB3 ASP A 2 26.212 65.478 58.095 1.00 0.00 H new ATOM 32 N VAL A 3 24.659 66.346 61.010 1.00 0.00 N ATOM 33 CA VAL A 3 23.242 66.637 61.373 1.00 0.00 C ATOM 34 C VAL A 3 23.240 67.837 62.375 1.00 0.00 C ATOM 35 O VAL A 3 23.763 67.735 63.491 1.00 0.00 O ATOM 36 CB VAL A 3 22.515 65.360 61.927 1.00 0.00 C ATOM 37 CG1 VAL A 3 21.036 65.621 62.305 1.00 0.00 C ATOM 38 CG2 VAL A 3 22.536 64.158 60.949 1.00 0.00 C ATOM 0 H VAL A 3 25.068 65.580 61.546 1.00 0.00 H new ATOM 0 HA VAL A 3 22.670 66.920 60.490 1.00 0.00 H new ATOM 0 HB VAL A 3 23.091 65.112 62.818 1.00 0.00 H new ATOM 0 HG11 VAL A 3 20.589 64.701 62.681 1.00 0.00 H new ATOM 0 HG12 VAL A 3 20.988 66.390 63.076 1.00 0.00 H new ATOM 0 HG13 VAL A 3 20.489 65.957 61.424 1.00 0.00 H new ATOM 0 HG21 VAL A 3 22.015 63.313 61.400 1.00 0.00 H new ATOM 0 HG22 VAL A 3 22.039 64.436 60.020 1.00 0.00 H new ATOM 0 HG23 VAL A 3 23.568 63.878 60.739 1.00 0.00 H new ATOM 48 N VAL A 4 22.642 68.962 61.936 1.00 0.00 N ATOM 49 CA VAL A 4 22.511 70.232 62.717 1.00 0.00 C ATOM 50 C VAL A 4 23.858 70.830 63.248 1.00 0.00 C ATOM 51 O VAL A 4 24.116 70.848 64.455 1.00 0.00 O ATOM 52 CB VAL A 4 21.314 70.274 63.736 1.00 0.00 C ATOM 53 CG1 VAL A 4 19.935 70.152 63.047 1.00 0.00 C ATOM 54 CG2 VAL A 4 21.391 69.283 64.921 1.00 0.00 C ATOM 0 H VAL A 4 22.223 69.026 61.008 1.00 0.00 H new ATOM 0 HA VAL A 4 22.207 70.951 61.957 1.00 0.00 H new ATOM 0 HB VAL A 4 21.422 71.267 64.172 1.00 0.00 H new ATOM 0 HG11 VAL A 4 19.148 70.187 63.800 1.00 0.00 H new ATOM 0 HG12 VAL A 4 19.804 70.977 62.346 1.00 0.00 H new ATOM 0 HG13 VAL A 4 19.880 69.206 62.508 1.00 0.00 H new ATOM 0 HG21 VAL A 4 20.512 69.404 65.554 1.00 0.00 H new ATOM 0 HG22 VAL A 4 21.426 68.262 64.540 1.00 0.00 H new ATOM 0 HG23 VAL A 4 22.290 69.483 65.505 1.00 0.00 H new ATOM 64 N ASP A 5 24.692 71.355 62.328 1.00 0.00 N ATOM 65 CA ASP A 5 25.939 72.091 62.688 1.00 0.00 C ATOM 66 C ASP A 5 25.685 73.519 63.275 1.00 0.00 C ATOM 67 O ASP A 5 26.326 73.870 64.268 1.00 0.00 O ATOM 68 CB ASP A 5 26.890 72.110 61.461 1.00 0.00 C ATOM 69 CG ASP A 5 28.349 72.451 61.801 1.00 0.00 C ATOM 70 OD1 ASP A 5 29.125 71.526 62.128 1.00 0.00 O ATOM 71 OD2 ASP A 5 28.720 73.645 61.751 1.00 0.00 O ATOM 0 H ASP A 5 24.531 71.287 61.323 1.00 0.00 H new ATOM 0 HA ASP A 5 26.419 71.553 63.506 1.00 0.00 H new ATOM 0 HB2 ASP A 5 26.860 71.134 60.977 1.00 0.00 H new ATOM 0 HB3 ASP A 5 26.518 72.836 60.738 1.00 0.00 H new ATOM 76 N SER A 6 24.766 74.316 62.682 1.00 0.00 N ATOM 77 CA SER A 6 24.365 75.657 63.202 1.00 0.00 C ATOM 78 C SER A 6 23.782 75.696 64.650 1.00 0.00 C ATOM 79 O SER A 6 24.125 76.615 65.398 1.00 0.00 O ATOM 80 CB SER A 6 23.382 76.323 62.211 1.00 0.00 C ATOM 81 OG SER A 6 23.984 76.526 60.937 1.00 0.00 O ATOM 0 H SER A 6 24.277 74.052 61.827 1.00 0.00 H new ATOM 0 HA SER A 6 25.298 76.215 63.280 1.00 0.00 H new ATOM 0 HB2 SER A 6 22.496 75.698 62.101 1.00 0.00 H new ATOM 0 HB3 SER A 6 23.049 77.280 62.614 1.00 0.00 H new ATOM 0 HG SER A 6 23.337 76.947 60.333 1.00 0.00 H new ATOM 87 N LEU A 7 22.948 74.713 65.057 1.00 0.00 N ATOM 88 CA LEU A 7 22.534 74.536 66.482 1.00 0.00 C ATOM 89 C LEU A 7 23.690 74.118 67.451 1.00 0.00 C ATOM 90 O LEU A 7 23.751 74.645 68.566 1.00 0.00 O ATOM 91 CB LEU A 7 21.344 73.539 66.609 1.00 0.00 C ATOM 92 CG LEU A 7 20.016 73.885 65.874 1.00 0.00 C ATOM 93 CD1 LEU A 7 18.995 72.742 66.039 1.00 0.00 C ATOM 94 CD2 LEU A 7 19.385 75.213 66.342 1.00 0.00 C ATOM 0 H LEU A 7 22.543 74.024 64.423 1.00 0.00 H new ATOM 0 HA LEU A 7 22.217 75.529 66.800 1.00 0.00 H new ATOM 0 HB2 LEU A 7 21.682 72.568 66.247 1.00 0.00 H new ATOM 0 HB3 LEU A 7 21.118 73.423 67.669 1.00 0.00 H new ATOM 0 HG LEU A 7 20.276 74.008 64.823 1.00 0.00 H new ATOM 0 HD11 LEU A 7 18.072 73.000 65.519 1.00 0.00 H new ATOM 0 HD12 LEU A 7 19.405 71.824 65.617 1.00 0.00 H new ATOM 0 HD13 LEU A 7 18.785 72.592 67.098 1.00 0.00 H new ATOM 0 HD21 LEU A 7 18.463 75.393 65.789 1.00 0.00 H new ATOM 0 HD22 LEU A 7 19.164 75.155 67.408 1.00 0.00 H new ATOM 0 HD23 LEU A 7 20.082 76.031 66.160 1.00 0.00 H new ATOM 106 N LEU A 8 24.601 73.211 67.035 1.00 0.00 N ATOM 107 CA LEU A 8 25.814 72.843 67.826 1.00 0.00 C ATOM 108 C LEU A 8 26.993 73.881 67.871 1.00 0.00 C ATOM 109 O LEU A 8 27.988 73.604 68.549 1.00 0.00 O ATOM 110 CB LEU A 8 26.298 71.441 67.349 1.00 0.00 C ATOM 111 CG LEU A 8 25.386 70.237 67.733 1.00 0.00 C ATOM 112 CD1 LEU A 8 25.730 68.993 66.897 1.00 0.00 C ATOM 113 CD2 LEU A 8 25.439 69.891 69.236 1.00 0.00 C ATOM 0 H LEU A 8 24.525 72.712 66.149 1.00 0.00 H new ATOM 0 HA LEU A 8 25.493 72.834 68.867 1.00 0.00 H new ATOM 0 HB2 LEU A 8 26.399 71.463 66.264 1.00 0.00 H new ATOM 0 HB3 LEU A 8 27.292 71.263 67.758 1.00 0.00 H new ATOM 0 HG LEU A 8 24.366 70.552 67.511 1.00 0.00 H new ATOM 0 HD11 LEU A 8 25.078 68.169 67.186 1.00 0.00 H new ATOM 0 HD12 LEU A 8 25.587 69.215 65.839 1.00 0.00 H new ATOM 0 HD13 LEU A 8 26.769 68.713 67.072 1.00 0.00 H new ATOM 0 HD21 LEU A 8 24.782 69.045 69.438 1.00 0.00 H new ATOM 0 HD22 LEU A 8 26.461 69.632 69.514 1.00 0.00 H new ATOM 0 HD23 LEU A 8 25.111 70.752 69.819 1.00 0.00 H new ATOM 125 N VAL A 9 26.883 75.068 67.235 1.00 0.00 N ATOM 126 CA VAL A 9 27.804 76.228 67.455 1.00 0.00 C ATOM 127 C VAL A 9 27.055 77.422 68.135 1.00 0.00 C ATOM 128 O VAL A 9 27.529 77.911 69.164 1.00 0.00 O ATOM 129 CB VAL A 9 28.648 76.629 66.194 1.00 0.00 C ATOM 130 CG1 VAL A 9 29.661 75.533 65.793 1.00 0.00 C ATOM 131 CG2 VAL A 9 27.845 77.068 64.948 1.00 0.00 C ATOM 0 H VAL A 9 26.152 75.259 66.549 1.00 0.00 H new ATOM 0 HA VAL A 9 28.565 75.894 68.161 1.00 0.00 H new ATOM 0 HB VAL A 9 29.174 77.520 66.537 1.00 0.00 H new ATOM 0 HG11 VAL A 9 30.220 75.858 64.916 1.00 0.00 H new ATOM 0 HG12 VAL A 9 30.351 75.356 66.618 1.00 0.00 H new ATOM 0 HG13 VAL A 9 29.127 74.611 65.562 1.00 0.00 H new ATOM 0 HG21 VAL A 9 28.534 77.321 64.142 1.00 0.00 H new ATOM 0 HG22 VAL A 9 27.195 76.253 64.628 1.00 0.00 H new ATOM 0 HG23 VAL A 9 27.239 77.940 65.194 1.00 0.00 H new ATOM 141 N ASN A 10 25.904 77.878 67.593 1.00 0.00 N ATOM 142 CA ASN A 10 25.062 78.940 68.211 1.00 0.00 C ATOM 143 C ASN A 10 24.138 78.276 69.270 1.00 0.00 C ATOM 144 O ASN A 10 23.211 77.533 68.924 1.00 0.00 O ATOM 145 CB ASN A 10 24.225 79.690 67.136 1.00 0.00 C ATOM 146 CG ASN A 10 25.036 80.523 66.120 1.00 0.00 C ATOM 147 OD1 ASN A 10 25.616 81.555 66.458 1.00 0.00 O ATOM 148 ND2 ASN A 10 25.087 80.101 64.865 1.00 0.00 N ATOM 0 H ASN A 10 25.528 77.523 66.714 1.00 0.00 H new ATOM 0 HA ASN A 10 25.701 79.682 68.690 1.00 0.00 H new ATOM 0 HB2 ASN A 10 23.632 78.958 66.587 1.00 0.00 H new ATOM 0 HB3 ASN A 10 23.524 80.352 67.644 1.00 0.00 H new ATOM 0 HD21 ASN A 10 25.610 80.632 64.169 1.00 0.00 H new ATOM 0 HD22 ASN A 10 24.603 79.245 64.595 1.00 0.00 H new ATOM 155 N GLY A 11 24.452 78.503 70.559 1.00 0.00 N ATOM 156 CA GLY A 11 23.916 77.676 71.665 1.00 0.00 C ATOM 157 C GLY A 11 24.952 76.638 72.139 1.00 0.00 C ATOM 158 O GLY A 11 25.569 76.823 73.192 1.00 0.00 O ATOM 0 H GLY A 11 25.074 79.252 70.864 1.00 0.00 H new ATOM 0 HA2 GLY A 11 23.634 78.319 72.499 1.00 0.00 H new ATOM 0 HA3 GLY A 11 23.011 77.166 71.335 1.00 0.00 H new ATOM 162 N SER A 12 25.138 75.567 71.338 1.00 0.00 N ATOM 163 CA SER A 12 26.167 74.513 71.554 1.00 0.00 C ATOM 164 C SER A 12 25.747 73.480 72.633 1.00 0.00 C ATOM 165 O SER A 12 25.198 72.436 72.271 1.00 0.00 O ATOM 166 CB SER A 12 27.626 75.033 71.604 1.00 0.00 C ATOM 167 OG SER A 12 28.558 73.959 71.573 1.00 0.00 O ATOM 0 H SER A 12 24.570 75.403 70.507 1.00 0.00 H new ATOM 0 HA SER A 12 26.199 73.920 70.640 1.00 0.00 H new ATOM 0 HB2 SER A 12 27.806 75.699 70.760 1.00 0.00 H new ATOM 0 HB3 SER A 12 27.774 75.620 72.510 1.00 0.00 H new ATOM 0 HG SER A 12 28.505 73.505 70.706 1.00 0.00 H new ATOM 173 N ASN A 13 25.979 73.767 73.930 1.00 0.00 N ATOM 174 CA ASN A 13 25.595 72.852 75.037 1.00 0.00 C ATOM 175 C ASN A 13 24.085 72.979 75.410 1.00 0.00 C ATOM 176 O ASN A 13 23.458 74.031 75.240 1.00 0.00 O ATOM 177 CB ASN A 13 26.509 73.120 76.270 1.00 0.00 C ATOM 178 CG ASN A 13 26.606 71.944 77.274 1.00 0.00 C ATOM 179 OD1 ASN A 13 26.595 70.767 76.911 1.00 0.00 O ATOM 180 ND2 ASN A 13 26.725 72.235 78.554 1.00 0.00 N ATOM 0 H ASN A 13 26.431 74.626 74.242 1.00 0.00 H new ATOM 0 HA ASN A 13 25.740 71.826 74.699 1.00 0.00 H new ATOM 0 HB2 ASN A 13 27.511 73.361 75.916 1.00 0.00 H new ATOM 0 HB3 ASN A 13 26.137 73.999 76.796 1.00 0.00 H new ATOM 0 HD21 ASN A 13 26.808 71.486 79.242 1.00 0.00 H new ATOM 0 HD22 ASN A 13 26.734 73.209 78.857 1.00 0.00 H new ATOM 187 N ILE A 14 23.541 71.894 75.988 1.00 0.00 N ATOM 188 CA ILE A 14 22.182 71.885 76.615 1.00 0.00 C ATOM 189 C ILE A 14 21.957 72.795 77.880 1.00 0.00 C ATOM 190 O ILE A 14 20.798 72.971 78.269 1.00 0.00 O ATOM 191 CB ILE A 14 21.671 70.411 76.837 1.00 0.00 C ATOM 192 CG1 ILE A 14 22.600 69.426 77.612 1.00 0.00 C ATOM 193 CG2 ILE A 14 21.251 69.756 75.497 1.00 0.00 C ATOM 194 CD1 ILE A 14 22.894 69.775 79.078 1.00 0.00 C ATOM 0 H ILE A 14 24.019 70.995 76.040 1.00 0.00 H new ATOM 0 HA ILE A 14 21.559 72.382 75.872 1.00 0.00 H new ATOM 0 HB ILE A 14 20.822 70.566 77.503 1.00 0.00 H new ATOM 0 HG12 ILE A 14 22.148 68.434 77.581 1.00 0.00 H new ATOM 0 HG13 ILE A 14 23.549 69.361 77.079 1.00 0.00 H new ATOM 0 HG21 ILE A 14 20.903 68.740 75.682 1.00 0.00 H new ATOM 0 HG22 ILE A 14 20.448 70.338 75.044 1.00 0.00 H new ATOM 0 HG23 ILE A 14 22.106 69.729 74.821 1.00 0.00 H new ATOM 0 HD11 ILE A 14 23.549 69.017 79.508 1.00 0.00 H new ATOM 0 HD12 ILE A 14 23.382 70.748 79.129 1.00 0.00 H new ATOM 0 HD13 ILE A 14 21.960 69.807 79.639 1.00 0.00 H new ATOM 206 N THR A 15 23.005 73.394 78.492 1.00 0.00 N ATOM 207 CA THR A 15 22.863 74.381 79.601 1.00 0.00 C ATOM 208 C THR A 15 22.454 75.790 79.031 1.00 0.00 C ATOM 209 O THR A 15 23.238 76.333 78.243 1.00 0.00 O ATOM 210 CB THR A 15 24.160 74.483 80.460 1.00 0.00 C ATOM 211 OG1 THR A 15 25.298 74.800 79.661 1.00 0.00 O ATOM 212 CG2 THR A 15 24.484 73.236 81.301 1.00 0.00 C ATOM 0 H THR A 15 23.975 73.210 78.235 1.00 0.00 H new ATOM 0 HA THR A 15 22.070 74.026 80.260 1.00 0.00 H new ATOM 0 HB THR A 15 23.942 75.291 81.158 1.00 0.00 H new ATOM 0 HG1 THR A 15 25.017 75.332 78.888 1.00 0.00 H new ATOM 0 HG21 THR A 15 25.403 73.404 81.862 1.00 0.00 H new ATOM 0 HG22 THR A 15 23.666 73.042 81.994 1.00 0.00 H new ATOM 0 HG23 THR A 15 24.613 72.377 80.643 1.00 0.00 H new ATOM 220 N PRO A 16 21.290 76.424 79.379 1.00 0.00 N ATOM 221 CA PRO A 16 20.871 77.737 78.806 1.00 0.00 C ATOM 222 C PRO A 16 21.795 78.965 79.120 1.00 0.00 C ATOM 223 O PRO A 16 22.376 78.969 80.207 1.00 0.00 O ATOM 224 CB PRO A 16 19.473 77.958 79.424 1.00 0.00 C ATOM 225 CG PRO A 16 18.967 76.567 79.792 1.00 0.00 C ATOM 226 CD PRO A 16 20.229 75.813 80.205 1.00 0.00 C ATOM 0 HA PRO A 16 20.910 77.686 77.718 1.00 0.00 H new ATOM 0 HB2 PRO A 16 19.529 78.601 80.303 1.00 0.00 H new ATOM 0 HB3 PRO A 16 18.803 78.445 78.715 1.00 0.00 H new ATOM 0 HG2 PRO A 16 18.242 76.608 80.605 1.00 0.00 H new ATOM 0 HG3 PRO A 16 18.473 76.086 78.948 1.00 0.00 H new ATOM 0 HD2 PRO A 16 20.434 75.929 81.269 1.00 0.00 H new ATOM 0 HD3 PRO A 16 20.138 74.744 80.012 1.00 0.00 H new ATOM 234 N PRO A 17 21.925 80.030 78.274 1.00 0.00 N ATOM 235 CA PRO A 17 22.693 81.260 78.627 1.00 0.00 C ATOM 236 C PRO A 17 22.100 82.131 79.778 1.00 0.00 C ATOM 237 O PRO A 17 20.898 82.420 79.789 1.00 0.00 O ATOM 238 CB PRO A 17 22.710 82.050 77.299 1.00 0.00 C ATOM 239 CG PRO A 17 22.460 81.019 76.202 1.00 0.00 C ATOM 240 CD PRO A 17 21.533 79.993 76.852 1.00 0.00 C ATOM 0 HA PRO A 17 23.671 80.989 79.024 1.00 0.00 H new ATOM 0 HB2 PRO A 17 21.941 82.822 77.293 1.00 0.00 H new ATOM 0 HB3 PRO A 17 23.667 82.552 77.154 1.00 0.00 H new ATOM 0 HG2 PRO A 17 21.998 81.474 75.326 1.00 0.00 H new ATOM 0 HG3 PRO A 17 23.390 80.559 75.869 1.00 0.00 H new ATOM 0 HD2 PRO A 17 20.484 80.257 76.717 1.00 0.00 H new ATOM 0 HD3 PRO A 17 21.669 79.000 76.423 1.00 0.00 H new ATOM 248 N CYS A 18 22.969 82.594 80.695 1.00 0.00 N ATOM 249 CA CYS A 18 22.680 83.779 81.551 1.00 0.00 C ATOM 250 C CYS A 18 23.992 84.616 81.586 1.00 0.00 C ATOM 251 O CYS A 18 24.950 84.257 82.281 1.00 0.00 O ATOM 252 CB CYS A 18 22.197 83.431 82.982 1.00 0.00 C ATOM 253 SG CYS A 18 20.861 82.219 83.014 1.00 0.00 S ATOM 0 H CYS A 18 23.881 82.171 80.869 1.00 0.00 H new ATOM 0 HA CYS A 18 21.845 84.334 81.123 1.00 0.00 H new ATOM 0 HB2 CYS A 18 23.039 83.047 83.558 1.00 0.00 H new ATOM 0 HB3 CYS A 18 21.862 84.343 83.476 1.00 0.00 H new ATOM 258 N GLU A 19 24.039 85.711 80.801 1.00 0.00 N ATOM 259 CA GLU A 19 25.259 86.551 80.642 1.00 0.00 C ATOM 260 C GLU A 19 24.946 87.968 81.190 1.00 0.00 C ATOM 261 O GLU A 19 24.145 88.705 80.604 1.00 0.00 O ATOM 262 CB GLU A 19 25.690 86.542 79.146 1.00 0.00 C ATOM 263 CG GLU A 19 27.090 87.116 78.819 1.00 0.00 C ATOM 264 CD GLU A 19 27.227 88.643 78.899 1.00 0.00 C ATOM 265 OE1 GLU A 19 26.556 89.354 78.119 1.00 0.00 O ATOM 266 OE2 GLU A 19 28.009 89.137 79.741 1.00 0.00 O ATOM 0 H GLU A 19 23.241 86.043 80.259 1.00 0.00 H new ATOM 0 HA GLU A 19 26.103 86.161 81.210 1.00 0.00 H new ATOM 0 HB2 GLU A 19 25.653 85.513 78.788 1.00 0.00 H new ATOM 0 HB3 GLU A 19 24.951 87.105 78.576 1.00 0.00 H new ATOM 0 HG2 GLU A 19 27.812 86.670 79.503 1.00 0.00 H new ATOM 0 HG3 GLU A 19 27.365 86.799 77.813 1.00 0.00 H new ATOM 273 N LEU A 20 25.615 88.341 82.296 1.00 0.00 N ATOM 274 CA LEU A 20 25.521 89.701 82.889 1.00 0.00 C ATOM 275 C LEU A 20 26.842 90.473 82.610 1.00 0.00 C ATOM 276 O LEU A 20 27.935 90.008 82.952 1.00 0.00 O ATOM 277 CB LEU A 20 25.207 89.570 84.408 1.00 0.00 C ATOM 278 CG LEU A 20 24.950 90.891 85.190 1.00 0.00 C ATOM 279 CD1 LEU A 20 23.717 91.675 84.690 1.00 0.00 C ATOM 280 CD2 LEU A 20 24.819 90.613 86.699 1.00 0.00 C ATOM 0 H LEU A 20 26.236 87.715 82.808 1.00 0.00 H new ATOM 0 HA LEU A 20 24.711 90.273 82.436 1.00 0.00 H new ATOM 0 HB2 LEU A 20 24.329 88.934 84.519 1.00 0.00 H new ATOM 0 HB3 LEU A 20 26.039 89.051 84.883 1.00 0.00 H new ATOM 0 HG LEU A 20 25.819 91.522 85.004 1.00 0.00 H new ATOM 0 HD11 LEU A 20 23.599 92.584 85.281 1.00 0.00 H new ATOM 0 HD12 LEU A 20 23.854 91.939 83.641 1.00 0.00 H new ATOM 0 HD13 LEU A 20 22.826 91.056 84.794 1.00 0.00 H new ATOM 0 HD21 LEU A 20 24.640 91.549 87.227 1.00 0.00 H new ATOM 0 HD22 LEU A 20 23.985 89.933 86.873 1.00 0.00 H new ATOM 0 HD23 LEU A 20 25.739 90.160 87.067 1.00 0.00 H new ATOM 292 N GLY A 21 26.716 91.681 82.030 1.00 0.00 N ATOM 293 CA GLY A 21 27.864 92.599 81.798 1.00 0.00 C ATOM 294 C GLY A 21 28.684 93.086 83.024 1.00 0.00 C ATOM 295 O GLY A 21 29.907 93.213 82.915 1.00 0.00 O ATOM 0 H GLY A 21 25.823 92.054 81.708 1.00 0.00 H new ATOM 0 HA2 GLY A 21 28.553 92.102 81.115 1.00 0.00 H new ATOM 0 HA3 GLY A 21 27.484 93.481 81.282 1.00 0.00 H new ATOM 299 N LEU A 22 28.027 93.329 84.179 1.00 0.00 N ATOM 300 CA LEU A 22 28.701 93.603 85.484 1.00 0.00 C ATOM 301 C LEU A 22 29.744 92.525 85.936 1.00 0.00 C ATOM 302 O LEU A 22 30.872 92.891 86.278 1.00 0.00 O ATOM 303 CB LEU A 22 27.580 93.842 86.542 1.00 0.00 C ATOM 304 CG LEU A 22 28.007 94.335 87.954 1.00 0.00 C ATOM 305 CD1 LEU A 22 28.642 95.740 87.937 1.00 0.00 C ATOM 306 CD2 LEU A 22 26.804 94.311 88.917 1.00 0.00 C ATOM 0 H LEU A 22 27.009 93.342 84.241 1.00 0.00 H new ATOM 0 HA LEU A 22 29.324 94.490 85.369 1.00 0.00 H new ATOM 0 HB2 LEU A 22 26.881 94.570 86.130 1.00 0.00 H new ATOM 0 HB3 LEU A 22 27.032 92.908 86.665 1.00 0.00 H new ATOM 0 HG LEU A 22 28.774 93.645 88.305 1.00 0.00 H new ATOM 0 HD11 LEU A 22 28.918 96.027 88.952 1.00 0.00 H new ATOM 0 HD12 LEU A 22 29.532 95.729 87.308 1.00 0.00 H new ATOM 0 HD13 LEU A 22 27.925 96.458 87.539 1.00 0.00 H new ATOM 0 HD21 LEU A 22 27.119 94.659 89.901 1.00 0.00 H new ATOM 0 HD22 LEU A 22 26.019 94.964 88.535 1.00 0.00 H new ATOM 0 HD23 LEU A 22 26.422 93.293 88.997 1.00 0.00 H new ATOM 318 N GLU A 23 29.384 91.225 85.891 1.00 0.00 N ATOM 319 CA GLU A 23 30.339 90.103 86.091 1.00 0.00 C ATOM 320 C GLU A 23 31.286 89.940 84.860 1.00 0.00 C ATOM 321 O GLU A 23 30.845 89.961 83.705 1.00 0.00 O ATOM 322 CB GLU A 23 29.498 88.823 86.364 1.00 0.00 C ATOM 323 CG GLU A 23 30.270 87.506 86.611 1.00 0.00 C ATOM 324 CD GLU A 23 31.103 87.472 87.894 1.00 0.00 C ATOM 325 OE1 GLU A 23 30.528 87.249 88.983 1.00 0.00 O ATOM 326 OE2 GLU A 23 32.338 87.659 87.817 1.00 0.00 O ATOM 0 H GLU A 23 28.427 90.919 85.716 1.00 0.00 H new ATOM 0 HA GLU A 23 30.994 90.299 86.940 1.00 0.00 H new ATOM 0 HB2 GLU A 23 28.868 89.013 87.233 1.00 0.00 H new ATOM 0 HB3 GLU A 23 28.832 88.669 85.515 1.00 0.00 H new ATOM 0 HG2 GLU A 23 29.555 86.684 86.639 1.00 0.00 H new ATOM 0 HG3 GLU A 23 30.930 87.326 85.763 1.00 0.00 H new ATOM 333 N ASN A 24 32.589 89.747 85.141 1.00 0.00 N ATOM 334 CA ASN A 24 33.629 89.531 84.093 1.00 0.00 C ATOM 335 C ASN A 24 33.587 88.073 83.540 1.00 0.00 C ATOM 336 O ASN A 24 33.193 87.893 82.383 1.00 0.00 O ATOM 337 CB ASN A 24 35.038 89.956 84.600 1.00 0.00 C ATOM 338 CG ASN A 24 35.224 91.466 84.861 1.00 0.00 C ATOM 339 OD1 ASN A 24 35.244 92.277 83.935 1.00 0.00 O ATOM 340 ND2 ASN A 24 35.367 91.870 86.115 1.00 0.00 N ATOM 0 H ASN A 24 32.958 89.735 86.092 1.00 0.00 H new ATOM 0 HA ASN A 24 33.401 90.180 83.247 1.00 0.00 H new ATOM 0 HB2 ASN A 24 35.250 89.417 85.523 1.00 0.00 H new ATOM 0 HB3 ASN A 24 35.780 89.638 83.867 1.00 0.00 H new ATOM 0 HD21 ASN A 24 35.495 92.861 86.320 1.00 0.00 H new ATOM 0 HD22 ASN A 24 35.349 91.190 86.875 1.00 0.00 H new ATOM 347 N GLU A 25 33.941 87.048 84.352 1.00 0.00 N ATOM 348 CA GLU A 25 33.781 85.620 83.969 1.00 0.00 C ATOM 349 C GLU A 25 32.332 85.173 84.306 1.00 0.00 C ATOM 350 O GLU A 25 32.002 84.928 85.472 1.00 0.00 O ATOM 351 CB GLU A 25 34.871 84.768 84.682 1.00 0.00 C ATOM 352 CG GLU A 25 34.846 83.240 84.431 1.00 0.00 C ATOM 353 CD GLU A 25 35.038 82.815 82.971 1.00 0.00 C ATOM 354 OE1 GLU A 25 36.196 82.764 82.501 1.00 0.00 O ATOM 355 OE2 GLU A 25 34.030 82.532 82.286 1.00 0.00 O ATOM 0 H GLU A 25 34.341 87.182 85.281 1.00 0.00 H new ATOM 0 HA GLU A 25 33.924 85.476 82.898 1.00 0.00 H new ATOM 0 HB2 GLU A 25 35.848 85.145 84.379 1.00 0.00 H new ATOM 0 HB3 GLU A 25 34.784 84.936 85.755 1.00 0.00 H new ATOM 0 HG2 GLU A 25 35.627 82.776 85.033 1.00 0.00 H new ATOM 0 HG3 GLU A 25 33.894 82.845 84.785 1.00 0.00 H new ATOM 362 N THR A 26 31.483 85.077 83.265 1.00 0.00 N ATOM 363 CA THR A 26 30.039 84.751 83.427 1.00 0.00 C ATOM 364 C THR A 26 29.836 83.211 83.373 1.00 0.00 C ATOM 365 O THR A 26 29.596 82.625 82.312 1.00 0.00 O ATOM 366 CB THR A 26 29.147 85.515 82.401 1.00 0.00 C ATOM 367 OG1 THR A 26 29.548 85.253 81.058 1.00 0.00 O ATOM 368 CG2 THR A 26 29.106 87.039 82.606 1.00 0.00 C ATOM 0 H THR A 26 31.767 85.220 82.296 1.00 0.00 H new ATOM 0 HA THR A 26 29.712 85.096 84.408 1.00 0.00 H new ATOM 0 HB THR A 26 28.144 85.130 82.584 1.00 0.00 H new ATOM 0 HG1 THR A 26 29.720 84.294 80.949 1.00 0.00 H new ATOM 0 HG21 THR A 26 28.463 87.491 81.850 1.00 0.00 H new ATOM 0 HG22 THR A 26 28.712 87.262 83.598 1.00 0.00 H new ATOM 0 HG23 THR A 26 30.113 87.445 82.516 1.00 0.00 H new ATOM 376 N LEU A 27 29.924 82.579 84.556 1.00 0.00 N ATOM 377 CA LEU A 27 29.543 81.149 84.757 1.00 0.00 C ATOM 378 C LEU A 27 28.100 80.932 85.337 1.00 0.00 C ATOM 379 O LEU A 27 27.846 79.916 85.992 1.00 0.00 O ATOM 380 CB LEU A 27 30.684 80.428 85.546 1.00 0.00 C ATOM 381 CG LEU A 27 31.205 81.016 86.897 1.00 0.00 C ATOM 382 CD1 LEU A 27 30.146 81.071 88.016 1.00 0.00 C ATOM 383 CD2 LEU A 27 32.439 80.232 87.386 1.00 0.00 C ATOM 0 H LEU A 27 30.259 83.034 85.405 1.00 0.00 H new ATOM 0 HA LEU A 27 29.456 80.675 83.779 1.00 0.00 H new ATOM 0 HB2 LEU A 27 30.345 79.412 85.746 1.00 0.00 H new ATOM 0 HB3 LEU A 27 31.541 80.352 84.876 1.00 0.00 H new ATOM 0 HG LEU A 27 31.473 82.050 86.680 1.00 0.00 H new ATOM 0 HD11 LEU A 27 30.591 81.492 88.918 1.00 0.00 H new ATOM 0 HD12 LEU A 27 29.312 81.696 87.697 1.00 0.00 H new ATOM 0 HD13 LEU A 27 29.785 80.064 88.225 1.00 0.00 H new ATOM 0 HD21 LEU A 27 32.789 80.655 88.328 1.00 0.00 H new ATOM 0 HD22 LEU A 27 32.170 79.186 87.535 1.00 0.00 H new ATOM 0 HD23 LEU A 27 33.232 80.300 86.641 1.00 0.00 H new ATOM 395 N PHE A 28 27.144 81.844 85.052 1.00 0.00 N ATOM 396 CA PHE A 28 25.739 81.744 85.524 1.00 0.00 C ATOM 397 C PHE A 28 24.932 80.968 84.448 1.00 0.00 C ATOM 398 O PHE A 28 24.874 81.398 83.290 1.00 0.00 O ATOM 399 CB PHE A 28 25.104 83.146 85.767 1.00 0.00 C ATOM 400 CG PHE A 28 25.826 84.135 86.706 1.00 0.00 C ATOM 401 CD1 PHE A 28 26.149 83.782 88.023 1.00 0.00 C ATOM 402 CD2 PHE A 28 26.128 85.425 86.251 1.00 0.00 C ATOM 403 CE1 PHE A 28 26.774 84.702 88.863 1.00 0.00 C ATOM 404 CE2 PHE A 28 26.737 86.346 87.099 1.00 0.00 C ATOM 405 CZ PHE A 28 27.066 85.982 88.401 1.00 0.00 C ATOM 0 H PHE A 28 27.323 82.674 84.487 1.00 0.00 H new ATOM 0 HA PHE A 28 25.718 81.221 86.480 1.00 0.00 H new ATOM 0 HB2 PHE A 28 24.994 83.631 84.797 1.00 0.00 H new ATOM 0 HB3 PHE A 28 24.100 82.990 86.161 1.00 0.00 H new ATOM 0 HD1 PHE A 28 25.913 82.794 88.388 1.00 0.00 H new ATOM 0 HD2 PHE A 28 25.887 85.707 85.237 1.00 0.00 H new ATOM 0 HE1 PHE A 28 27.032 84.421 89.873 1.00 0.00 H new ATOM 0 HE2 PHE A 28 26.954 87.343 86.746 1.00 0.00 H new ATOM 0 HZ PHE A 28 27.549 86.694 89.054 1.00 0.00 H new ATOM 415 N CYS A 29 24.337 79.822 84.837 1.00 0.00 N ATOM 416 CA CYS A 29 23.581 78.914 83.925 1.00 0.00 C ATOM 417 C CYS A 29 24.496 78.078 82.970 1.00 0.00 C ATOM 418 O CYS A 29 24.601 76.860 83.134 1.00 0.00 O ATOM 419 CB CYS A 29 22.381 79.566 83.186 1.00 0.00 C ATOM 420 SG CYS A 29 21.419 80.702 84.199 1.00 0.00 S ATOM 0 H CYS A 29 24.363 79.490 85.801 1.00 0.00 H new ATOM 0 HA CYS A 29 23.122 78.202 84.610 1.00 0.00 H new ATOM 0 HB2 CYS A 29 22.754 80.102 82.313 1.00 0.00 H new ATOM 0 HB3 CYS A 29 21.723 78.778 82.819 1.00 0.00 H new ATOM 425 N LEU A 30 25.142 78.738 81.985 1.00 0.00 N ATOM 426 CA LEU A 30 25.975 78.093 80.939 1.00 0.00 C ATOM 427 C LEU A 30 27.423 77.848 81.452 1.00 0.00 C ATOM 428 O LEU A 30 28.093 78.762 81.945 1.00 0.00 O ATOM 429 CB LEU A 30 25.876 78.997 79.673 1.00 0.00 C ATOM 430 CG LEU A 30 26.685 78.581 78.407 1.00 0.00 C ATOM 431 CD1 LEU A 30 25.878 78.787 77.109 1.00 0.00 C ATOM 432 CD2 LEU A 30 28.013 79.358 78.306 1.00 0.00 C ATOM 0 H LEU A 30 25.100 79.753 81.890 1.00 0.00 H new ATOM 0 HA LEU A 30 25.619 77.096 80.680 1.00 0.00 H new ATOM 0 HB2 LEU A 30 24.825 79.061 79.391 1.00 0.00 H new ATOM 0 HB3 LEU A 30 26.192 80.001 79.955 1.00 0.00 H new ATOM 0 HG LEU A 30 26.898 77.518 78.519 1.00 0.00 H new ATOM 0 HD11 LEU A 30 26.481 78.484 76.253 1.00 0.00 H new ATOM 0 HD12 LEU A 30 24.971 78.184 77.145 1.00 0.00 H new ATOM 0 HD13 LEU A 30 25.611 79.839 77.010 1.00 0.00 H new ATOM 0 HD21 LEU A 30 28.552 79.043 77.412 1.00 0.00 H new ATOM 0 HD22 LEU A 30 27.806 80.427 78.248 1.00 0.00 H new ATOM 0 HD23 LEU A 30 28.622 79.154 79.187 1.00 0.00 H new ATOM 444 N ASP A 31 27.886 76.592 81.304 1.00 0.00 N ATOM 445 CA ASP A 31 29.241 76.151 81.759 1.00 0.00 C ATOM 446 C ASP A 31 30.469 76.401 80.814 1.00 0.00 C ATOM 447 O ASP A 31 31.578 76.008 81.188 1.00 0.00 O ATOM 448 CB ASP A 31 29.149 74.659 82.204 1.00 0.00 C ATOM 449 CG ASP A 31 28.844 73.576 81.145 1.00 0.00 C ATOM 450 OD1 ASP A 31 29.428 73.605 80.037 1.00 0.00 O ATOM 451 OD2 ASP A 31 28.024 72.678 81.434 1.00 0.00 O ATOM 0 H ASP A 31 27.341 75.848 80.868 1.00 0.00 H new ATOM 0 HA ASP A 31 29.484 76.819 82.585 1.00 0.00 H new ATOM 0 HB2 ASP A 31 30.096 74.398 82.677 1.00 0.00 H new ATOM 0 HB3 ASP A 31 28.379 74.592 82.973 1.00 0.00 H new ATOM 456 N GLN A 32 30.294 77.016 79.621 1.00 0.00 N ATOM 457 CA GLN A 32 31.346 77.196 78.579 1.00 0.00 C ATOM 458 C GLN A 32 31.557 75.859 77.783 1.00 0.00 C ATOM 459 O GLN A 32 32.151 74.945 78.365 1.00 0.00 O ATOM 460 CB GLN A 32 32.664 77.879 79.061 1.00 0.00 C ATOM 461 CG GLN A 32 33.672 78.313 77.968 1.00 0.00 C ATOM 462 CD GLN A 32 33.195 79.442 77.038 1.00 0.00 C ATOM 463 OE1 GLN A 32 32.708 79.196 75.935 1.00 0.00 O ATOM 464 NE2 GLN A 32 33.332 80.694 77.449 1.00 0.00 N ATOM 0 H GLN A 32 29.396 77.413 79.344 1.00 0.00 H new ATOM 0 HA GLN A 32 30.965 77.941 77.881 1.00 0.00 H new ATOM 0 HB2 GLN A 32 32.395 78.760 79.643 1.00 0.00 H new ATOM 0 HB3 GLN A 32 33.173 77.193 79.738 1.00 0.00 H new ATOM 0 HG2 GLN A 32 34.594 78.632 78.454 1.00 0.00 H new ATOM 0 HG3 GLN A 32 33.917 77.443 77.359 1.00 0.00 H new ATOM 0 HE21 GLN A 32 33.737 80.889 78.365 1.00 0.00 H new ATOM 0 HE22 GLN A 32 33.033 81.463 76.850 1.00 0.00 H new ATOM 473 N PRO A 33 31.124 75.695 76.491 1.00 0.00 N ATOM 474 CA PRO A 33 31.281 74.431 75.719 1.00 0.00 C ATOM 475 C PRO A 33 32.725 73.874 75.562 1.00 0.00 C ATOM 476 O PRO A 33 33.596 74.536 74.986 1.00 0.00 O ATOM 477 CB PRO A 33 30.664 74.783 74.349 1.00 0.00 C ATOM 478 CG PRO A 33 29.620 75.853 74.655 1.00 0.00 C ATOM 479 CD PRO A 33 30.218 76.644 75.813 1.00 0.00 C ATOM 0 HA PRO A 33 30.799 73.613 76.254 1.00 0.00 H new ATOM 0 HB2 PRO A 33 31.421 75.155 73.658 1.00 0.00 H new ATOM 0 HB3 PRO A 33 30.209 73.909 73.883 1.00 0.00 H new ATOM 0 HG2 PRO A 33 29.439 76.491 73.790 1.00 0.00 H new ATOM 0 HG3 PRO A 33 28.663 75.408 74.929 1.00 0.00 H new ATOM 0 HD2 PRO A 33 30.759 77.520 75.456 1.00 0.00 H new ATOM 0 HD3 PRO A 33 29.442 77.002 76.490 1.00 0.00 H new ATOM 487 N ARG A 34 32.959 72.668 76.111 1.00 0.00 N ATOM 488 CA ARG A 34 34.292 72.011 76.096 1.00 0.00 C ATOM 489 C ARG A 34 34.068 70.464 76.010 1.00 0.00 C ATOM 490 O ARG A 34 33.649 69.896 77.027 1.00 0.00 O ATOM 491 CB ARG A 34 35.147 72.335 77.359 1.00 0.00 C ATOM 492 CG ARG A 34 35.553 73.807 77.592 1.00 0.00 C ATOM 493 CD ARG A 34 36.487 73.959 78.810 1.00 0.00 C ATOM 494 NE ARG A 34 36.680 75.377 79.206 1.00 0.00 N ATOM 495 CZ ARG A 34 36.019 75.994 80.208 1.00 0.00 C ATOM 496 NH1 ARG A 34 35.063 75.422 80.938 1.00 0.00 N ATOM 497 NH2 ARG A 34 36.340 77.245 80.484 1.00 0.00 N ATOM 0 H ARG A 34 32.237 72.118 76.577 1.00 0.00 H new ATOM 0 HA ARG A 34 34.844 72.391 75.237 1.00 0.00 H new ATOM 0 HB2 ARG A 34 34.593 71.997 78.235 1.00 0.00 H new ATOM 0 HB3 ARG A 34 36.059 71.739 77.309 1.00 0.00 H new ATOM 0 HG2 ARG A 34 36.051 74.192 76.702 1.00 0.00 H new ATOM 0 HG3 ARG A 34 34.658 74.411 77.743 1.00 0.00 H new ATOM 0 HD2 ARG A 34 36.074 73.403 79.652 1.00 0.00 H new ATOM 0 HD3 ARG A 34 37.455 73.515 78.579 1.00 0.00 H new ATOM 0 HE ARG A 34 37.362 75.925 78.682 1.00 0.00 H new ATOM 0 HH11 ARG A 34 34.789 74.457 80.754 1.00 0.00 H new ATOM 0 HH12 ARG A 34 34.605 75.949 81.681 1.00 0.00 H new ATOM 0 HH21 ARG A 34 37.068 77.715 79.946 1.00 0.00 H new ATOM 0 HH22 ARG A 34 35.860 77.741 81.235 1.00 0.00 H new ATOM 511 N PRO A 35 34.344 69.720 74.896 1.00 0.00 N ATOM 512 CA PRO A 35 34.670 70.265 73.547 1.00 0.00 C ATOM 513 C PRO A 35 33.397 70.622 72.720 1.00 0.00 C ATOM 514 O PRO A 35 32.371 69.954 72.861 1.00 0.00 O ATOM 515 CB PRO A 35 35.429 69.073 72.930 1.00 0.00 C ATOM 516 CG PRO A 35 34.785 67.818 73.528 1.00 0.00 C ATOM 517 CD PRO A 35 34.368 68.240 74.936 1.00 0.00 C ATOM 0 HA PRO A 35 35.228 71.201 73.573 1.00 0.00 H new ATOM 0 HB2 PRO A 35 35.346 69.076 71.843 1.00 0.00 H new ATOM 0 HB3 PRO A 35 36.492 69.120 73.168 1.00 0.00 H new ATOM 0 HG2 PRO A 35 33.927 67.493 72.940 1.00 0.00 H new ATOM 0 HG3 PRO A 35 35.487 66.985 73.554 1.00 0.00 H new ATOM 0 HD2 PRO A 35 33.390 67.835 75.197 1.00 0.00 H new ATOM 0 HD3 PRO A 35 35.073 67.876 75.683 1.00 0.00 H new ATOM 525 N SER A 36 33.472 71.621 71.822 1.00 0.00 N ATOM 526 CA SER A 36 32.323 71.986 70.944 1.00 0.00 C ATOM 527 C SER A 36 32.291 71.085 69.671 1.00 0.00 C ATOM 528 O SER A 36 33.000 71.342 68.692 1.00 0.00 O ATOM 529 CB SER A 36 32.388 73.496 70.622 1.00 0.00 C ATOM 530 OG SER A 36 31.218 73.912 69.927 1.00 0.00 O ATOM 0 H SER A 36 34.305 72.192 71.679 1.00 0.00 H new ATOM 0 HA SER A 36 31.382 71.802 71.462 1.00 0.00 H new ATOM 0 HB2 SER A 36 32.491 74.066 71.545 1.00 0.00 H new ATOM 0 HB3 SER A 36 33.270 73.707 70.018 1.00 0.00 H new ATOM 0 HG SER A 36 30.450 73.887 70.535 1.00 0.00 H new ATOM 536 N LYS A 37 31.467 70.019 69.715 1.00 0.00 N ATOM 537 CA LYS A 37 31.297 69.055 68.591 1.00 0.00 C ATOM 538 C LYS A 37 29.833 68.500 68.643 1.00 0.00 C ATOM 539 O LYS A 37 28.896 69.296 68.537 1.00 0.00 O ATOM 540 CB LYS A 37 32.483 68.034 68.499 1.00 0.00 C ATOM 541 CG LYS A 37 32.794 67.173 69.751 1.00 0.00 C ATOM 542 CD LYS A 37 33.815 66.054 69.479 1.00 0.00 C ATOM 543 CE LYS A 37 33.994 65.114 70.685 1.00 0.00 C ATOM 544 NZ LYS A 37 34.928 64.016 70.383 1.00 0.00 N ATOM 0 H LYS A 37 30.896 69.795 70.530 1.00 0.00 H new ATOM 0 HA LYS A 37 31.383 69.535 67.616 1.00 0.00 H new ATOM 0 HB2 LYS A 37 32.279 67.357 67.669 1.00 0.00 H new ATOM 0 HB3 LYS A 37 33.385 68.590 68.242 1.00 0.00 H new ATOM 0 HG2 LYS A 37 33.175 67.819 70.543 1.00 0.00 H new ATOM 0 HG3 LYS A 37 31.868 66.730 70.118 1.00 0.00 H new ATOM 0 HD2 LYS A 37 33.492 65.474 68.615 1.00 0.00 H new ATOM 0 HD3 LYS A 37 34.777 66.498 69.223 1.00 0.00 H new ATOM 0 HE2 LYS A 37 34.364 65.683 71.538 1.00 0.00 H new ATOM 0 HE3 LYS A 37 33.027 64.701 70.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 35.024 63.403 71.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 34.562 63.459 69.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 35.858 64.410 70.133 1.00 0.00 H new ATOM 558 N GLU A 38 29.625 67.178 68.820 1.00 0.00 N ATOM 559 CA GLU A 38 28.304 66.570 69.166 1.00 0.00 C ATOM 560 C GLU A 38 28.167 66.291 70.698 1.00 0.00 C ATOM 561 O GLU A 38 27.215 66.784 71.307 1.00 0.00 O ATOM 562 CB GLU A 38 27.964 65.375 68.228 1.00 0.00 C ATOM 563 CG GLU A 38 28.696 64.020 68.378 1.00 0.00 C ATOM 564 CD GLU A 38 30.206 64.041 68.116 1.00 0.00 C ATOM 565 OE1 GLU A 38 30.618 64.238 66.952 1.00 0.00 O ATOM 566 OE2 GLU A 38 30.989 63.865 69.077 1.00 0.00 O ATOM 0 H GLU A 38 30.371 66.488 68.728 1.00 0.00 H new ATOM 0 HA GLU A 38 27.521 67.301 68.968 1.00 0.00 H new ATOM 0 HB2 GLU A 38 26.897 65.177 68.335 1.00 0.00 H new ATOM 0 HB3 GLU A 38 28.124 65.715 67.205 1.00 0.00 H new ATOM 0 HG2 GLU A 38 28.528 63.648 69.389 1.00 0.00 H new ATOM 0 HG3 GLU A 38 28.238 63.305 67.695 1.00 0.00 H new ATOM 573 N TRP A 39 29.131 65.566 71.316 1.00 0.00 N ATOM 574 CA TRP A 39 29.399 65.555 72.786 1.00 0.00 C ATOM 575 C TRP A 39 28.183 65.269 73.735 1.00 0.00 C ATOM 576 O TRP A 39 27.388 64.372 73.445 1.00 0.00 O ATOM 577 CB TRP A 39 30.433 66.675 73.158 1.00 0.00 C ATOM 578 CG TRP A 39 29.926 68.118 73.358 1.00 0.00 C ATOM 579 CD1 TRP A 39 29.417 68.989 72.370 1.00 0.00 C ATOM 580 CD2 TRP A 39 29.948 68.873 74.522 1.00 0.00 C ATOM 581 NE1 TRP A 39 29.111 70.260 72.881 1.00 0.00 N ATOM 582 CE2 TRP A 39 29.463 70.169 74.215 1.00 0.00 C ATOM 583 CE3 TRP A 39 30.403 68.572 75.831 1.00 0.00 C ATOM 584 CZ2 TRP A 39 29.455 71.174 75.203 1.00 0.00 C ATOM 585 CZ3 TRP A 39 30.359 69.576 76.799 1.00 0.00 C ATOM 586 CH2 TRP A 39 29.897 70.859 76.488 1.00 0.00 C ATOM 0 H TRP A 39 29.763 64.955 70.798 1.00 0.00 H new ATOM 0 HA TRP A 39 29.910 64.624 73.031 1.00 0.00 H new ATOM 0 HB2 TRP A 39 30.933 66.370 74.078 1.00 0.00 H new ATOM 0 HB3 TRP A 39 31.191 66.697 72.375 1.00 0.00 H new ATOM 0 HD1 TRP A 39 29.279 68.708 71.336 1.00 0.00 H new ATOM 0 HE1 TRP A 39 28.721 71.062 72.385 1.00 0.00 H new ATOM 0 HE3 TRP A 39 30.775 67.588 76.073 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 29.112 72.171 74.969 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 30.687 69.359 77.805 1.00 0.00 H new ATOM 0 HH2 TRP A 39 29.882 71.619 77.256 1.00 0.00 H new ATOM 597 N GLN A 40 28.043 66.021 74.846 1.00 0.00 N ATOM 598 CA GLN A 40 26.903 65.929 75.797 1.00 0.00 C ATOM 599 C GLN A 40 25.478 66.146 75.172 1.00 0.00 C ATOM 600 O GLN A 40 24.639 65.297 75.479 1.00 0.00 O ATOM 601 CB GLN A 40 27.211 66.837 77.019 1.00 0.00 C ATOM 602 CG GLN A 40 26.265 66.668 78.228 1.00 0.00 C ATOM 603 CD GLN A 40 26.753 67.417 79.478 1.00 0.00 C ATOM 604 OE1 GLN A 40 27.449 66.857 80.325 1.00 0.00 O ATOM 605 NE2 GLN A 40 26.407 68.688 79.625 1.00 0.00 N ATOM 0 H GLN A 40 28.730 66.725 75.117 1.00 0.00 H new ATOM 0 HA GLN A 40 26.827 64.893 76.128 1.00 0.00 H new ATOM 0 HB2 GLN A 40 28.231 66.640 77.348 1.00 0.00 H new ATOM 0 HB3 GLN A 40 27.176 67.877 76.695 1.00 0.00 H new ATOM 0 HG2 GLN A 40 25.272 67.028 77.959 1.00 0.00 H new ATOM 0 HG3 GLN A 40 26.167 65.608 78.461 1.00 0.00 H new ATOM 0 HE21 GLN A 40 25.830 69.144 78.918 1.00 0.00 H new ATOM 0 HE22 GLN A 40 26.718 69.210 80.445 1.00 0.00 H new ATOM 614 N PRO A 41 25.138 67.147 74.298 1.00 0.00 N ATOM 615 CA PRO A 41 23.869 67.161 73.511 1.00 0.00 C ATOM 616 C PRO A 41 23.417 65.853 72.785 1.00 0.00 C ATOM 617 O PRO A 41 22.248 65.479 72.908 1.00 0.00 O ATOM 618 CB PRO A 41 24.085 68.331 72.534 1.00 0.00 C ATOM 619 CG PRO A 41 25.057 69.268 73.247 1.00 0.00 C ATOM 620 CD PRO A 41 25.966 68.343 74.051 1.00 0.00 C ATOM 0 HA PRO A 41 23.028 67.265 74.197 1.00 0.00 H new ATOM 0 HB2 PRO A 41 24.496 67.983 71.586 1.00 0.00 H new ATOM 0 HB3 PRO A 41 23.145 68.835 72.308 1.00 0.00 H new ATOM 0 HG2 PRO A 41 25.628 69.863 72.535 1.00 0.00 H new ATOM 0 HG3 PRO A 41 24.529 69.967 73.896 1.00 0.00 H new ATOM 0 HD2 PRO A 41 26.871 68.093 73.497 1.00 0.00 H new ATOM 0 HD3 PRO A 41 26.282 68.808 74.985 1.00 0.00 H new ATOM 628 N ALA A 42 24.339 65.148 72.091 1.00 0.00 N ATOM 629 CA ALA A 42 24.088 63.786 71.540 1.00 0.00 C ATOM 630 C ALA A 42 23.807 62.671 72.596 1.00 0.00 C ATOM 631 O ALA A 42 22.854 61.909 72.424 1.00 0.00 O ATOM 632 CB ALA A 42 25.262 63.398 70.621 1.00 0.00 C ATOM 0 H ALA A 42 25.276 65.501 71.895 1.00 0.00 H new ATOM 0 HA ALA A 42 23.155 63.851 70.981 1.00 0.00 H new ATOM 0 HB1 ALA A 42 25.090 62.403 70.211 1.00 0.00 H new ATOM 0 HB2 ALA A 42 25.339 64.117 69.806 1.00 0.00 H new ATOM 0 HB3 ALA A 42 26.189 63.399 71.195 1.00 0.00 H new ATOM 638 N GLN A 43 24.594 62.598 73.687 1.00 0.00 N ATOM 639 CA GLN A 43 24.353 61.660 74.827 1.00 0.00 C ATOM 640 C GLN A 43 23.011 61.858 75.611 1.00 0.00 C ATOM 641 O GLN A 43 22.414 60.863 76.034 1.00 0.00 O ATOM 642 CB GLN A 43 25.551 61.722 75.819 1.00 0.00 C ATOM 643 CG GLN A 43 26.957 61.387 75.266 1.00 0.00 C ATOM 644 CD GLN A 43 27.229 59.903 74.971 1.00 0.00 C ATOM 645 OE1 GLN A 43 27.806 59.186 75.786 1.00 0.00 O ATOM 646 NE2 GLN A 43 26.852 59.416 73.799 1.00 0.00 N ATOM 0 H GLN A 43 25.419 63.184 73.813 1.00 0.00 H new ATOM 0 HA GLN A 43 24.261 60.678 74.362 1.00 0.00 H new ATOM 0 HB2 GLN A 43 25.586 62.727 76.241 1.00 0.00 H new ATOM 0 HB3 GLN A 43 25.342 61.038 76.642 1.00 0.00 H new ATOM 0 HG2 GLN A 43 27.109 61.953 74.347 1.00 0.00 H new ATOM 0 HG3 GLN A 43 27.700 61.737 75.982 1.00 0.00 H new ATOM 0 HE21 GLN A 43 26.374 60.016 73.127 1.00 0.00 H new ATOM 0 HE22 GLN A 43 27.040 58.440 73.568 1.00 0.00 H new ATOM 655 N VAL A 44 22.541 63.111 75.793 1.00 0.00 N ATOM 656 CA VAL A 44 21.227 63.434 76.430 1.00 0.00 C ATOM 657 C VAL A 44 19.997 62.983 75.563 1.00 0.00 C ATOM 658 O VAL A 44 19.052 62.432 76.137 1.00 0.00 O ATOM 659 CB VAL A 44 21.217 64.940 76.880 1.00 0.00 C ATOM 660 CG1 VAL A 44 19.850 65.454 77.395 1.00 0.00 C ATOM 661 CG2 VAL A 44 22.257 65.232 77.993 1.00 0.00 C ATOM 0 H VAL A 44 23.060 63.940 75.503 1.00 0.00 H new ATOM 0 HA VAL A 44 21.110 62.838 77.335 1.00 0.00 H new ATOM 0 HB VAL A 44 21.465 65.468 75.959 1.00 0.00 H new ATOM 0 HG11 VAL A 44 19.940 66.502 77.682 1.00 0.00 H new ATOM 0 HG12 VAL A 44 19.104 65.357 76.606 1.00 0.00 H new ATOM 0 HG13 VAL A 44 19.542 64.866 78.260 1.00 0.00 H new ATOM 0 HG21 VAL A 44 22.210 66.286 78.268 1.00 0.00 H new ATOM 0 HG22 VAL A 44 22.037 64.619 78.867 1.00 0.00 H new ATOM 0 HG23 VAL A 44 23.257 64.997 77.628 1.00 0.00 H new ATOM 671 N ILE A 45 20.004 63.161 74.221 1.00 0.00 N ATOM 672 CA ILE A 45 19.024 62.478 73.307 1.00 0.00 C ATOM 673 C ILE A 45 19.206 60.921 73.118 1.00 0.00 C ATOM 674 O ILE A 45 18.357 60.301 72.471 1.00 0.00 O ATOM 675 CB ILE A 45 18.888 63.220 71.927 1.00 0.00 C ATOM 676 CG1 ILE A 45 20.167 63.155 71.037 1.00 0.00 C ATOM 677 CG2 ILE A 45 18.359 64.668 72.089 1.00 0.00 C ATOM 678 CD1 ILE A 45 20.004 63.597 69.574 1.00 0.00 C ATOM 0 H ILE A 45 20.668 63.766 73.738 1.00 0.00 H new ATOM 0 HA ILE A 45 18.081 62.561 73.847 1.00 0.00 H new ATOM 0 HB ILE A 45 18.133 62.658 71.378 1.00 0.00 H new ATOM 0 HG12 ILE A 45 20.936 63.775 71.498 1.00 0.00 H new ATOM 0 HG13 ILE A 45 20.537 62.130 71.045 1.00 0.00 H new ATOM 0 HG21 ILE A 45 18.282 65.139 71.109 1.00 0.00 H new ATOM 0 HG22 ILE A 45 17.376 64.646 72.559 1.00 0.00 H new ATOM 0 HG23 ILE A 45 19.047 65.239 72.713 1.00 0.00 H new ATOM 0 HD11 ILE A 45 20.960 63.507 69.058 1.00 0.00 H new ATOM 0 HD12 ILE A 45 19.266 62.963 69.083 1.00 0.00 H new ATOM 0 HD13 ILE A 45 19.671 64.634 69.542 1.00 0.00 H new ATOM 690 N LEU A 46 20.288 60.301 73.650 1.00 0.00 N ATOM 691 CA LEU A 46 20.624 58.855 73.506 1.00 0.00 C ATOM 692 C LEU A 46 21.164 58.576 72.073 1.00 0.00 C ATOM 693 O LEU A 46 20.413 58.162 71.183 1.00 0.00 O ATOM 694 CB LEU A 46 19.548 57.828 73.990 1.00 0.00 C ATOM 695 CG LEU A 46 19.325 57.684 75.525 1.00 0.00 C ATOM 696 CD1 LEU A 46 18.642 58.904 76.176 1.00 0.00 C ATOM 697 CD2 LEU A 46 18.519 56.405 75.834 1.00 0.00 C ATOM 0 H LEU A 46 20.975 60.806 74.210 1.00 0.00 H new ATOM 0 HA LEU A 46 21.419 58.667 74.228 1.00 0.00 H new ATOM 0 HB2 LEU A 46 18.595 58.101 73.537 1.00 0.00 H new ATOM 0 HB3 LEU A 46 19.819 56.848 73.597 1.00 0.00 H new ATOM 0 HG LEU A 46 20.320 57.618 75.965 1.00 0.00 H new ATOM 0 HD11 LEU A 46 18.522 58.727 77.245 1.00 0.00 H new ATOM 0 HD12 LEU A 46 19.257 59.791 76.022 1.00 0.00 H new ATOM 0 HD13 LEU A 46 17.663 59.058 75.722 1.00 0.00 H new ATOM 0 HD21 LEU A 46 18.372 56.319 76.911 1.00 0.00 H new ATOM 0 HD22 LEU A 46 17.550 56.457 75.338 1.00 0.00 H new ATOM 0 HD23 LEU A 46 19.065 55.534 75.472 1.00 0.00 H new ATOM 709 N LEU A 47 22.470 58.841 71.870 1.00 0.00 N ATOM 710 CA LEU A 47 23.137 58.703 70.552 1.00 0.00 C ATOM 711 C LEU A 47 24.648 58.616 70.856 1.00 0.00 C ATOM 712 O LEU A 47 25.384 59.597 70.970 1.00 0.00 O ATOM 713 CB LEU A 47 22.763 59.879 69.594 1.00 0.00 C ATOM 714 CG LEU A 47 23.327 59.820 68.148 1.00 0.00 C ATOM 715 CD1 LEU A 47 22.746 58.650 67.330 1.00 0.00 C ATOM 716 CD2 LEU A 47 23.078 61.155 67.421 1.00 0.00 C ATOM 717 OXT LEU A 47 25.075 57.318 70.991 1.00 0.00 O ATOM 0 H LEU A 47 23.095 59.157 72.612 1.00 0.00 H new ATOM 0 HA LEU A 47 22.809 57.811 70.018 1.00 0.00 H new ATOM 0 HB2 LEU A 47 21.676 59.932 69.531 1.00 0.00 H new ATOM 0 HB3 LEU A 47 23.101 60.809 70.051 1.00 0.00 H new ATOM 0 HG LEU A 47 24.400 59.647 68.233 1.00 0.00 H new ATOM 0 HD11 LEU A 47 23.175 58.658 66.328 1.00 0.00 H new ATOM 0 HD12 LEU A 47 22.988 57.707 67.821 1.00 0.00 H new ATOM 0 HD13 LEU A 47 21.663 58.756 67.262 1.00 0.00 H new ATOM 0 HD21 LEU A 47 23.479 61.098 66.409 1.00 0.00 H new ATOM 0 HD22 LEU A 47 22.007 61.351 67.377 1.00 0.00 H new ATOM 0 HD23 LEU A 47 23.572 61.962 67.962 1.00 0.00 H new TER 730 LEU A 47 ATOM 731 N ASP B 1 34.532 61.007 80.779 1.00 0.00 N ATOM 732 CA ASP B 1 34.490 61.347 79.338 1.00 0.00 C ATOM 733 C ASP B 1 33.017 61.471 78.857 1.00 0.00 C ATOM 734 O ASP B 1 32.130 60.719 79.280 1.00 0.00 O ATOM 735 CB ASP B 1 35.306 60.300 78.530 1.00 0.00 C ATOM 736 CG ASP B 1 35.752 60.790 77.143 1.00 0.00 C ATOM 737 OD1 ASP B 1 36.853 61.373 77.035 1.00 0.00 O ATOM 738 OD2 ASP B 1 35.003 60.607 76.160 1.00 0.00 O ATOM 0 H1 ASP B 1 35.126 60.165 80.920 1.00 0.00 H new ATOM 0 H2 ASP B 1 34.931 61.806 81.313 1.00 0.00 H new ATOM 0 H3 ASP B 1 33.568 60.811 81.118 1.00 0.00 H new ATOM 0 HA ASP B 1 34.955 62.318 79.169 1.00 0.00 H new ATOM 0 HB2 ASP B 1 36.188 60.019 79.106 1.00 0.00 H new ATOM 0 HB3 ASP B 1 34.704 59.399 78.410 1.00 0.00 H new ATOM 745 N TYR B 2 32.780 62.416 77.927 1.00 0.00 N ATOM 746 CA TYR B 2 31.428 62.668 77.345 1.00 0.00 C ATOM 747 C TYR B 2 30.933 61.501 76.443 1.00 0.00 C ATOM 748 O TYR B 2 29.898 60.916 76.768 1.00 0.00 O ATOM 749 CB TYR B 2 31.335 64.056 76.647 1.00 0.00 C ATOM 750 CG TYR B 2 31.607 65.264 77.566 1.00 0.00 C ATOM 751 CD1 TYR B 2 30.644 65.688 78.489 1.00 0.00 C ATOM 752 CD2 TYR B 2 32.842 65.921 77.514 1.00 0.00 C ATOM 753 CE1 TYR B 2 30.910 66.758 79.340 1.00 0.00 C ATOM 754 CE2 TYR B 2 33.107 66.985 78.370 1.00 0.00 C ATOM 755 CZ TYR B 2 32.142 67.406 79.281 1.00 0.00 C ATOM 756 OH TYR B 2 32.398 68.471 80.106 1.00 0.00 O ATOM 0 H TYR B 2 33.507 63.027 77.554 1.00 0.00 H new ATOM 0 HA TYR B 2 30.734 62.704 78.185 1.00 0.00 H new ATOM 0 HB2 TYR B 2 32.045 64.079 75.821 1.00 0.00 H new ATOM 0 HB3 TYR B 2 30.340 64.163 76.215 1.00 0.00 H new ATOM 0 HD1 TYR B 2 29.691 65.183 78.542 1.00 0.00 H new ATOM 0 HD2 TYR B 2 33.592 65.600 76.806 1.00 0.00 H new ATOM 0 HE1 TYR B 2 30.161 67.086 80.046 1.00 0.00 H new ATOM 0 HE2 TYR B 2 34.063 67.485 78.328 1.00 0.00 H new ATOM 0 HH TYR B 2 33.303 68.806 79.937 1.00 0.00 H new ATOM 766 N MET B 3 31.687 61.093 75.395 1.00 0.00 N ATOM 767 CA MET B 3 31.466 59.784 74.710 1.00 0.00 C ATOM 768 C MET B 3 32.043 58.648 75.610 1.00 0.00 C ATOM 769 O MET B 3 33.251 58.391 75.642 1.00 0.00 O ATOM 770 CB MET B 3 32.086 59.794 73.286 1.00 0.00 C ATOM 771 CG MET B 3 31.333 60.669 72.266 1.00 0.00 C ATOM 772 SD MET B 3 29.651 60.039 72.066 1.00 0.00 S ATOM 773 CE MET B 3 28.866 61.397 71.181 1.00 0.00 C ATOM 0 H MET B 3 32.451 61.643 75.002 1.00 0.00 H new ATOM 0 HA MET B 3 30.400 59.604 74.572 1.00 0.00 H new ATOM 0 HB2 MET B 3 33.116 60.144 73.355 1.00 0.00 H new ATOM 0 HB3 MET B 3 32.121 58.771 72.912 1.00 0.00 H new ATOM 0 HG2 MET B 3 31.308 61.704 72.606 1.00 0.00 H new ATOM 0 HG3 MET B 3 31.853 60.661 71.308 1.00 0.00 H new ATOM 0 HE1 MET B 3 27.822 61.150 70.988 1.00 0.00 H new ATOM 0 HE2 MET B 3 28.919 62.303 71.784 1.00 0.00 H new ATOM 0 HE3 MET B 3 29.381 61.561 70.235 1.00 0.00 H new ATOM 783 N GLY B 4 31.150 58.052 76.413 1.00 0.00 N ATOM 784 CA GLY B 4 31.540 57.428 77.697 1.00 0.00 C ATOM 785 C GLY B 4 30.323 57.053 78.568 1.00 0.00 C ATOM 786 O GLY B 4 30.205 55.892 78.969 1.00 0.00 O ATOM 0 H GLY B 4 30.154 57.986 76.202 1.00 0.00 H new ATOM 0 HA2 GLY B 4 32.129 56.533 77.498 1.00 0.00 H new ATOM 0 HA3 GLY B 4 32.181 58.114 78.251 1.00 0.00 H new ATOM 790 N TRP B 5 29.414 58.020 78.836 1.00 0.00 N ATOM 791 CA TRP B 5 28.086 57.768 79.481 1.00 0.00 C ATOM 792 C TRP B 5 27.244 56.658 78.772 1.00 0.00 C ATOM 793 O TRP B 5 26.945 55.636 79.396 1.00 0.00 O ATOM 794 CB TRP B 5 27.274 59.092 79.601 1.00 0.00 C ATOM 795 CG TRP B 5 27.867 60.176 80.512 1.00 0.00 C ATOM 796 CD1 TRP B 5 28.654 61.269 80.092 1.00 0.00 C ATOM 797 CD2 TRP B 5 27.723 60.329 81.880 1.00 0.00 C ATOM 798 NE1 TRP B 5 29.021 62.097 81.168 1.00 0.00 N ATOM 799 CE2 TRP B 5 28.427 61.498 82.268 1.00 0.00 C ATOM 800 CE3 TRP B 5 27.014 59.564 82.842 1.00 0.00 C ATOM 801 CZ2 TRP B 5 28.425 61.910 83.623 1.00 0.00 C ATOM 802 CZ3 TRP B 5 27.028 59.990 84.171 1.00 0.00 C ATOM 803 CH2 TRP B 5 27.723 61.144 84.555 1.00 0.00 C ATOM 0 H TRP B 5 29.573 59.003 78.614 1.00 0.00 H new ATOM 0 HA TRP B 5 28.300 57.387 80.479 1.00 0.00 H new ATOM 0 HB2 TRP B 5 27.156 59.512 78.602 1.00 0.00 H new ATOM 0 HB3 TRP B 5 26.276 58.849 79.965 1.00 0.00 H new ATOM 0 HD1 TRP B 5 28.941 61.449 79.066 1.00 0.00 H new ATOM 0 HE1 TRP B 5 29.592 62.942 81.144 1.00 0.00 H new ATOM 0 HE3 TRP B 5 26.476 58.673 82.553 1.00 0.00 H new ATOM 0 HZ2 TRP B 5 28.956 62.799 83.929 1.00 0.00 H new ATOM 0 HZ3 TRP B 5 26.494 59.420 84.916 1.00 0.00 H new ATOM 0 HH2 TRP B 5 27.716 61.447 85.592 1.00 0.00 H new ATOM 814 N MET B 6 26.946 56.827 77.469 1.00 0.00 N ATOM 815 CA MET B 6 26.627 55.697 76.561 1.00 0.00 C ATOM 816 C MET B 6 27.573 55.779 75.327 1.00 0.00 C ATOM 817 O MET B 6 27.223 56.336 74.283 1.00 0.00 O ATOM 818 CB MET B 6 25.110 55.594 76.241 1.00 0.00 C ATOM 819 CG MET B 6 24.402 56.791 75.573 1.00 0.00 C ATOM 820 SD MET B 6 22.665 56.376 75.296 1.00 0.00 S ATOM 821 CE MET B 6 22.743 55.445 73.748 1.00 0.00 C ATOM 0 H MET B 6 26.918 57.740 77.015 1.00 0.00 H new ATOM 0 HA MET B 6 26.823 54.745 77.054 1.00 0.00 H new ATOM 0 HB2 MET B 6 24.968 54.727 75.596 1.00 0.00 H new ATOM 0 HB3 MET B 6 24.590 55.385 77.176 1.00 0.00 H new ATOM 0 HG2 MET B 6 24.481 57.675 76.206 1.00 0.00 H new ATOM 0 HG3 MET B 6 24.886 57.033 74.627 1.00 0.00 H new ATOM 0 HE1 MET B 6 21.740 55.129 73.463 1.00 0.00 H new ATOM 0 HE2 MET B 6 23.161 56.077 72.964 1.00 0.00 H new ATOM 0 HE3 MET B 6 23.375 54.567 73.883 1.00 0.00 H new ATOM 831 N ASP B 7 28.778 55.185 75.450 1.00 0.00 N ATOM 832 CA ASP B 7 29.716 54.992 74.300 1.00 0.00 C ATOM 833 C ASP B 7 29.192 54.091 73.131 1.00 0.00 C ATOM 834 O ASP B 7 29.455 54.394 71.964 1.00 0.00 O ATOM 835 CB ASP B 7 31.126 54.565 74.795 1.00 0.00 C ATOM 836 CG ASP B 7 31.239 53.233 75.561 1.00 0.00 C ATOM 837 OD1 ASP B 7 31.422 52.176 74.917 1.00 0.00 O ATOM 838 OD2 ASP B 7 31.141 53.245 76.808 1.00 0.00 O ATOM 0 H ASP B 7 29.135 54.825 76.335 1.00 0.00 H new ATOM 0 HA ASP B 7 29.790 55.975 73.836 1.00 0.00 H new ATOM 0 HB2 ASP B 7 31.785 54.511 73.928 1.00 0.00 H new ATOM 0 HB3 ASP B 7 31.510 55.356 75.438 1.00 0.00 H new ATOM 843 N PHE B 8 28.421 53.032 73.447 1.00 0.00 N ATOM 844 CA PHE B 8 27.613 52.251 72.469 1.00 0.00 C ATOM 845 C PHE B 8 26.585 53.058 71.608 1.00 0.00 C ATOM 846 O PHE B 8 26.493 52.848 70.399 1.00 0.00 O ATOM 847 CB PHE B 8 26.966 51.023 73.186 1.00 0.00 C ATOM 848 CG PHE B 8 25.978 51.293 74.349 1.00 0.00 C ATOM 849 CD1 PHE B 8 26.459 51.500 75.649 1.00 0.00 C ATOM 850 CD2 PHE B 8 24.600 51.352 74.114 1.00 0.00 C ATOM 851 CE1 PHE B 8 25.577 51.781 76.689 1.00 0.00 C ATOM 852 CE2 PHE B 8 23.719 51.633 75.157 1.00 0.00 C ATOM 853 CZ PHE B 8 24.209 51.846 76.443 1.00 0.00 C ATOM 0 H PHE B 8 28.336 52.684 74.402 1.00 0.00 H new ATOM 0 HA PHE B 8 28.320 51.911 71.713 1.00 0.00 H new ATOM 0 HB2 PHE B 8 26.441 50.436 72.433 1.00 0.00 H new ATOM 0 HB3 PHE B 8 27.772 50.399 73.572 1.00 0.00 H new ATOM 0 HD1 PHE B 8 27.519 51.441 75.845 1.00 0.00 H new ATOM 0 HD2 PHE B 8 24.217 51.179 73.119 1.00 0.00 H new ATOM 0 HE1 PHE B 8 25.955 51.949 77.687 1.00 0.00 H new ATOM 0 HE2 PHE B 8 22.657 51.685 74.968 1.00 0.00 H new ATOM 0 HZ PHE B 8 23.526 52.062 77.251 1.00 0.00 H new HETATM 863 N NH2 B 9 25.798 53.976 72.165 1.00 0.00 N TER 866 NH2 B 9 CONECT 253 420 CONECT 420 253 CONECT 845 863 CONECT 863 845 864 865 CONECT 864 863 CONECT 865 863 END