USER MOD reduce.3.24.130724 H: found=0, std=0, add=881, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 878 hydrogens (0 hets) HEADER PROTEIN BINDING 14-SEP-00 1FU6 TITLE NMR STRUCTURE OF THE N-SH2 DOMAIN OF THE P85 SUBUNIT OF PI3- TITLE 2 KINASE COMPND MOL_ID: 1; COMPND 2 MOLECULE: PHOSPHATIDYLINOSITOL 3-KINASE REGULATORY ALPHA COMPND 3 SUBUNIT; COMPND 4 CHAIN: A; COMPND 5 FRAGMENT: RESIDUES 321 TO 431 OF P85, N-SH2 (SRC HOMOLOGY COMPND 6 2) DOMAIN; COMPND 7 SYNONYM: N-SH2 (SRC HOMOLOGY 2) DOMAIN OF P85 SUBUNIT OF COMPND 8 P13-KINASE (PHOSPHOINOSITOL 3-KINASE), PI3-KINASE P85- COMPND 9 ALPHA SUBUNIT, PTDINS-3-KINASE P85-ALPHA, PI3K; COMPND 0 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; SOURCE 3 ORGANISM_COMMON: NORWAY RAT; SOURCE 4 ORGANISM_TAXID: 10116; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS CENTRAL BETA-SHEET WITH TWO FLANKING ALPHA-HELICES, PROTEIN KEYWDS 2 BINDING EXPDTA SOLUTION NMR AUTHOR T.WEBER,B.SCHAFFHAUSEN,Y.LIU,U.L.GUENTHER REVDAT 3 24-FEB-09 1FU6 1 VERSN REVDAT 2 01-APR-03 1FU6 1 JRNL REVDAT 1 21-FEB-01 1FU6 0 JRNL AUTH T.WEBER,B.SCHAFFHAUSEN,Y.LIU,U.L.GUNTHER JRNL TITL NMR STRUCTURE OF THE N-SH2 OF THE P85 SUBUNIT OF JRNL TITL 2 PHOSPHOINOSITIDE 3-KINASE COMPLEXED TO A DOUBLY JRNL TITL 3 PHOSPHORYLATED PEPTIDE REVEALS A SECOND JRNL TITL 4 PHOSPHOTYROSINE BINDING SITE. JRNL REF BIOCHEMISTRY V. 39 15860 2000 JRNL REFN ISSN 0006-2960 JRNL PMID 11123912 JRNL DOI 10.1021/BI001474D REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : DISCOVER REMARK 3 AUTHORS : MSI REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: THE STRUCTURE WITH THE LOWEST ENERGY REMARK 3 IS PRESENTED. REMARK 4 REMARK 4 1FU6 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 15-SEP-00. REMARK 100 THE RCSB ID CODE IS RCSB011904. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 305 REMARK 210 PH : 6.8 REMARK 210 IONIC STRENGTH : 0.1MM REMARK 210 PRESSURE : 1 BAR REMARK 210 SAMPLE CONTENTS : 1.5MM N-SH2 15N, 13C; 0.1MM REMARK 210 KCL; 95% H2O, 5% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_13C-SEPARATED_NOESY, 3D_ REMARK 210 15N-SEPARATED_NOESY, 2D NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ, 600 MHZ REMARK 210 SPECTROMETER MODEL : DMX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NMRLAB, PRONTO, NMR2ST, DYANA REMARK 210 METHOD USED : THE STRUCTURES WERE ENERGY REMARK 210 MINIMIZED WITH MSI DISCOVER. REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 110 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH FAVORABLE NON REMARK 210 -BOND ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: NOESY ASSIGNMENTS WERE OBTAINED BY A SEMI-AUTOMATIC REMARK 210 PROCEDURE EMPLOYING A PROGRAM FROM PRISTOVSEK [PRISTOVSEK, P. REMARK 210 & KIDRIC, J. (1997) BIOPOL. 42, 671-679)]. 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 HIS A 65 CG HIS A 65 CD2 0.055 REMARK 500 TYR A 111 C TYR A 111 OXT 0.138 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 20 NE - CZ - NH1 ANGL. DEV. = 3.4 DEGREES REMARK 500 ARG A 28 NE - CZ - NH1 ANGL. DEV. = 3.5 DEGREES REMARK 500 ARG A 38 NE - CZ - NH1 ANGL. DEV. = 3.2 DEGREES REMARK 500 HIS A 45 ND1 - CE1 - NE2 ANGL. DEV. = 8.3 DEGREES REMARK 500 ARG A 53 NE - CZ - NH1 ANGL. DEV. = 3.8 DEGREES REMARK 500 HIS A 65 ND1 - CE1 - NE2 ANGL. DEV. = 9.0 DEGREES REMARK 500 HIS A 87 ND1 - CE1 - NE2 ANGL. DEV. = 8.6 DEGREES REMARK 500 ARG A 89 NE - CZ - NH1 ANGL. DEV. = 4.0 DEGREES REMARK 500 TYR A 106 CB - CG - CD2 ANGL. DEV. = -3.6 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 GLN A 9 -28.46 -144.17 REMARK 500 ASP A 10 70.04 -162.19 REMARK 500 GLU A 12 36.56 -70.08 REMARK 500 TRP A 13 -58.23 -166.12 REMARK 500 TRP A 15 -56.56 -123.26 REMARK 500 ILE A 18 -159.85 -131.33 REMARK 500 SER A 19 -157.37 -120.52 REMARK 500 ARG A 28 -79.64 -104.07 REMARK 500 LEU A 36 -51.89 -152.16 REMARK 500 VAL A 37 95.00 99.21 REMARK 500 ASP A 39 -141.63 -91.95 REMARK 500 SER A 41 55.07 -156.97 REMARK 500 LYS A 43 -60.58 -157.24 REMARK 500 MET A 44 -84.33 -91.03 REMARK 500 ASP A 47 -68.56 -97.44 REMARK 500 SER A 60 96.80 -60.50 REMARK 500 ILE A 61 75.43 -106.32 REMARK 500 ARG A 66 -91.11 59.55 REMARK 500 LYS A 69 -152.90 -92.44 REMARK 500 PHE A 72 -65.26 -95.28 REMARK 500 SER A 80 114.45 -161.36 REMARK 500 LEU A 84 42.67 -75.52 REMARK 500 ILE A 85 -48.48 -167.39 REMARK 500 ASN A 90 30.45 -90.30 REMARK 500 GLU A 91 -77.57 -157.21 REMARK 500 SER A 92 142.53 -175.38 REMARK 500 TYR A 96 -70.46 -66.84 REMARK 500 LEU A 100 -32.96 -155.74 REMARK 500 ASP A 101 75.66 -4.49 REMARK 500 VAL A 102 -152.38 -86.45 REMARK 500 LYS A 103 54.83 -171.25 REMARK 500 LEU A 104 36.84 39.52 REMARK 500 TYR A 106 60.63 -151.00 REMARK 500 SER A 109 77.96 -170.22 REMARK 500 LYS A 110 -63.37 71.52 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS REMARK 500 REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH REMARK 500 CIS AND TRANS CONFORMATION. CIS BONDS, IF ANY, ARE LISTED REMARK 500 ON CISPEP RECORDS. TRANS IS DEFINED AS 180 +/- 30 AND REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES. REMARK 500 MODEL OMEGA REMARK 500 TYR A 48 THR A 49 -145.89 REMARK 500 ASP A 101 VAL A 102 146.40 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 TYR A 48 0.19 SIDE_CHAIN REMARK 500 ARG A 66 0.16 SIDE_CHAIN REMARK 500 TYR A 70 0.07 SIDE_CHAIN REMARK 500 TYR A 96 0.08 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1FU5 RELATED DB: PDB REMARK 900 1FU5 IS NMR STRUCTURE OF THE N-SH2 DOMAIN OF THE P85 REMARK 900 SUBUNIT OF PI3-KINASE COMPLEXED TO A DOUBLY PHOSPHORYLATED REMARK 900 PEPTIDE DERIVED FROM POLYOMAVIRUS MIDDLE T ANTIGEN DBREF 1FU6 A 1 111 UNP Q63787 P85A_RAT 321 431 SEQADV 1FU6 SER A 60 UNP Q63787 LEU 380 CONFLICT SEQRES 1 A 111 GLY MET ASN ASN ASN MET SER LEU GLN ASP ALA GLU TRP SEQRES 2 A 111 TYR TRP GLY ASP ILE SER ARG GLU GLU VAL ASN GLU LYS SEQRES 3 A 111 LEU ARG ASP THR ALA ASP GLY THR PHE LEU VAL ARG ASP SEQRES 4 A 111 ALA SER THR LYS MET HIS GLY ASP TYR THR LEU THR LEU SEQRES 5 A 111 ARG LYS GLY GLY ASN ASN LYS SER ILE LYS ILE PHE HIS SEQRES 6 A 111 ARG ASP GLY LYS TYR GLY PHE SER ASP PRO LEU THR PHE SEQRES 7 A 111 ASN SER VAL VAL GLU LEU ILE ASN HIS TYR ARG ASN GLU SEQRES 8 A 111 SER LEU ALA GLN TYR ASN PRO LYS LEU ASP VAL LYS LEU SEQRES 9 A 111 LEU TYR PRO VAL SER LYS TYR HELIX 1 1 ARG A 20 LEU A 27 1 8 HELIX 2 2 VAL A 82 ASN A 90 1 9 SHEET 1 A 2 THR A 51 LYS A 54 0 SHEET 2 A 2 ASN A 57 SER A 60 -1 O ASN A 57 N LYS A 54 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 73 SER OG : rot -21:sc= 0.157 USER MOD Set 1.2: A 87 HIS : no HD1:sc= 0.624 K(o=1.9,f=1.2) USER MOD Set 1.3: A 95 GLN :FLIP amide:sc= 1.17 F(o=1.2,f=1.9) USER MOD Set 2.1: A 7 SER OG : rot -127:sc= 0.967 USER MOD Set 2.2: A 80 SER OG : rot 18:sc= 1.28 USER MOD Set 3.1: A 14 TYR OH : rot 24:sc= 1.21 USER MOD Set 3.2: A 65 HIS : no HE2:sc= -0.405 K(o=2.2,f=-0.27) USER MOD Set 3.3: A 70 TYR OH : rot 58:sc= 1.4 USER MOD Set 4.1: A 51 THR OG1 : rot 61:sc= 0.366 USER MOD Set 4.2: A 60 SER OG : rot -27:sc= 1.2 USER MOD Set 5.1: A 30 THR OG1 : rot 150:sc= 0.399 USER MOD Set 5.2: A 34 THR OG1 : rot -59:sc= 0.684 USER MOD Set 6.1: A 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 6.2: A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= 0.00524 X(o=0.0052,f=0) USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= -0.0436 USER MOD Single : A 24 ASN : amide:sc= 0.153 K(o=0.15,f=-1.4) USER MOD Single : A 26 LYS NZ :NH3+ 163:sc= 2.48 (180deg=1.88) USER MOD Single : A 41 SER OG : rot -2:sc= 1.24 USER MOD Single : A 42 THR OG1 : rot 162:sc= 0.885 USER MOD Single : A 43 LYS NZ :NH3+ -173:sc= 1.18 (180deg=1.14) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HE2:sc= 0.395 K(o=0.39,f=-1.4) USER MOD Single : A 48 TYR OH : rot 67:sc= 1.02 USER MOD Single : A 49 THR OG1 : rot 167:sc= 1.19 USER MOD Single : A 54 LYS NZ :NH3+ -105:sc= 0.769 (180deg=-0.0854) USER MOD Single : A 57 ASN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 58 ASN : amide:sc= 0.81 K(o=0.81,f=-3.8!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ -167:sc= 1.15 (180deg=0.643) USER MOD Single : A 77 THR OG1 : rot 79:sc= 1.31 USER MOD Single : A 79 ASN : amide:sc= 0.629 K(o=0.63,f=-0.57) USER MOD Single : A 86 ASN : amide:sc= 0.89 K(o=0.89,f=-0.12) USER MOD Single : A 88 TYR OH : rot -15:sc= 0.403 USER MOD Single : A 90 ASN : amide:sc=-0.00807 X(o=-0.0081,f=0) USER MOD Single : A 92 SER OG : rot 55:sc= 0.972 USER MOD Single : A 96 TYR OH : rot -15:sc= 1.26 USER MOD Single : A 97 ASN : amide:sc= -0.0786 X(o=-0.079,f=-0.57) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 176:sc= 1.84 (180deg=1.79) USER MOD Single : A 106 TYR OH : rot -148:sc= 0.777 USER MOD Single : A 109 SER OG : rot -118:sc= 1.27 USER MOD Single : A 110 LYS NZ :NH3+ -150:sc= 2.3 (180deg=1.28!) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.836 9.006 -15.336 1.00 0.00 N ATOM 2 CA GLY A 1 0.906 7.849 -15.347 1.00 0.00 C ATOM 3 C GLY A 1 1.575 6.515 -15.717 1.00 0.00 C ATOM 4 O GLY A 1 1.546 6.105 -16.882 1.00 0.00 O ATOM 0 H1 GLY A 1 1.314 9.868 -15.079 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.591 8.838 -14.641 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.255 9.124 -16.281 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.448 7.754 -14.362 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.101 8.049 -16.054 1.00 0.00 H new ATOM 9 N MET A 2 2.139 5.817 -14.718 1.00 0.00 N ATOM 10 CA MET A 2 2.839 4.520 -14.938 1.00 0.00 C ATOM 11 C MET A 2 1.833 3.331 -15.106 1.00 0.00 C ATOM 12 O MET A 2 1.428 2.675 -14.140 1.00 0.00 O ATOM 13 CB MET A 2 3.862 4.323 -13.785 1.00 0.00 C ATOM 14 CG MET A 2 4.832 3.141 -13.992 1.00 0.00 C ATOM 15 SD MET A 2 5.932 2.993 -12.573 1.00 0.00 S ATOM 16 CE MET A 2 6.812 1.490 -13.034 1.00 0.00 C ATOM 0 H MET A 2 2.129 6.122 -13.745 1.00 0.00 H new ATOM 0 HA MET A 2 3.386 4.539 -15.881 1.00 0.00 H new ATOM 0 HB2 MET A 2 4.443 5.238 -13.670 1.00 0.00 H new ATOM 0 HB3 MET A 2 3.317 4.172 -12.853 1.00 0.00 H new ATOM 0 HG2 MET A 2 4.269 2.217 -14.125 1.00 0.00 H new ATOM 0 HG3 MET A 2 5.415 3.293 -14.900 1.00 0.00 H new ATOM 0 HE1 MET A 2 7.542 1.244 -12.262 1.00 0.00 H new ATOM 0 HE2 MET A 2 6.102 0.669 -13.136 1.00 0.00 H new ATOM 0 HE3 MET A 2 7.326 1.646 -13.983 1.00 0.00 H new ATOM 26 N ASN A 3 1.453 3.045 -16.363 1.00 0.00 N ATOM 27 CA ASN A 3 0.492 1.954 -16.693 1.00 0.00 C ATOM 28 C ASN A 3 1.241 0.588 -16.843 1.00 0.00 C ATOM 29 O ASN A 3 1.547 0.130 -17.949 1.00 0.00 O ATOM 30 CB ASN A 3 -0.312 2.375 -17.956 1.00 0.00 C ATOM 31 CG ASN A 3 -1.408 3.425 -17.731 1.00 0.00 C ATOM 32 OD1 ASN A 3 -2.558 3.102 -17.459 1.00 0.00 O ATOM 33 ND2 ASN A 3 -1.116 4.700 -17.834 1.00 0.00 N ATOM 0 H ASN A 3 1.794 3.553 -17.179 1.00 0.00 H new ATOM 0 HA ASN A 3 -0.222 1.801 -15.884 1.00 0.00 H new ATOM 0 HB2 ASN A 3 0.388 2.761 -18.697 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -0.771 1.484 -18.385 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -1.841 5.403 -17.688 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -0.164 4.989 -18.060 1.00 0.00 H new ATOM 40 N ASN A 4 1.541 -0.061 -15.702 1.00 0.00 N ATOM 41 CA ASN A 4 2.422 -1.263 -15.661 1.00 0.00 C ATOM 42 C ASN A 4 1.643 -2.593 -15.957 1.00 0.00 C ATOM 43 O ASN A 4 1.399 -3.414 -15.065 1.00 0.00 O ATOM 44 CB ASN A 4 3.141 -1.206 -14.281 1.00 0.00 C ATOM 45 CG ASN A 4 4.332 -2.154 -14.122 1.00 0.00 C ATOM 46 OD1 ASN A 4 5.465 -1.832 -14.460 1.00 0.00 O ATOM 47 ND2 ASN A 4 4.125 -3.340 -13.604 1.00 0.00 N ATOM 0 H ASN A 4 1.188 0.222 -14.788 1.00 0.00 H new ATOM 0 HA ASN A 4 3.166 -1.258 -16.458 1.00 0.00 H new ATOM 0 HB2 ASN A 4 3.485 -0.186 -14.112 1.00 0.00 H new ATOM 0 HB3 ASN A 4 2.413 -1.430 -13.501 1.00 0.00 H new ATOM 0 HD21 ASN A 4 4.904 -3.987 -13.485 1.00 0.00 H new ATOM 0 HD22 ASN A 4 3.185 -3.616 -13.320 1.00 0.00 H new ATOM 54 N ASN A 5 1.288 -2.816 -17.235 1.00 0.00 N ATOM 55 CA ASN A 5 0.497 -4.005 -17.661 1.00 0.00 C ATOM 56 C ASN A 5 1.427 -5.208 -18.041 1.00 0.00 C ATOM 57 O ASN A 5 1.636 -5.516 -19.221 1.00 0.00 O ATOM 58 CB ASN A 5 -0.451 -3.518 -18.794 1.00 0.00 C ATOM 59 CG ASN A 5 -1.557 -4.504 -19.185 1.00 0.00 C ATOM 60 OD1 ASN A 5 -2.642 -4.518 -18.618 1.00 0.00 O ATOM 61 ND2 ASN A 5 -1.326 -5.356 -20.154 1.00 0.00 N ATOM 0 H ASN A 5 1.534 -2.189 -18.001 1.00 0.00 H new ATOM 0 HA ASN A 5 -0.111 -4.410 -16.852 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -0.914 -2.582 -18.482 1.00 0.00 H new ATOM 0 HB3 ASN A 5 0.148 -3.298 -19.678 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -2.047 -6.023 -20.430 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -0.425 -5.352 -20.633 1.00 0.00 H new ATOM 68 N MET A 6 1.958 -5.912 -17.025 1.00 0.00 N ATOM 69 CA MET A 6 2.877 -7.067 -17.237 1.00 0.00 C ATOM 70 C MET A 6 2.082 -8.405 -17.394 1.00 0.00 C ATOM 71 O MET A 6 1.891 -9.162 -16.439 1.00 0.00 O ATOM 72 CB MET A 6 3.931 -7.107 -16.095 1.00 0.00 C ATOM 73 CG MET A 6 5.007 -6.004 -16.156 1.00 0.00 C ATOM 74 SD MET A 6 6.182 -6.232 -14.809 1.00 0.00 S ATOM 75 CE MET A 6 7.366 -4.937 -15.215 1.00 0.00 C ATOM 0 H MET A 6 1.771 -5.708 -16.043 1.00 0.00 H new ATOM 0 HA MET A 6 3.417 -6.938 -18.175 1.00 0.00 H new ATOM 0 HB2 MET A 6 3.411 -7.033 -15.140 1.00 0.00 H new ATOM 0 HB3 MET A 6 4.427 -8.078 -16.114 1.00 0.00 H new ATOM 0 HG2 MET A 6 5.525 -6.040 -17.114 1.00 0.00 H new ATOM 0 HG3 MET A 6 4.540 -5.022 -16.083 1.00 0.00 H new ATOM 0 HE1 MET A 6 8.169 -4.934 -14.478 1.00 0.00 H new ATOM 0 HE2 MET A 6 7.783 -5.122 -16.205 1.00 0.00 H new ATOM 0 HE3 MET A 6 6.864 -3.970 -15.208 1.00 0.00 H new ATOM 85 N SER A 7 1.639 -8.693 -18.631 1.00 0.00 N ATOM 86 CA SER A 7 0.929 -9.961 -18.967 1.00 0.00 C ATOM 87 C SER A 7 1.847 -11.227 -19.050 1.00 0.00 C ATOM 88 O SER A 7 1.557 -12.233 -18.400 1.00 0.00 O ATOM 89 CB SER A 7 0.118 -9.700 -20.263 1.00 0.00 C ATOM 90 OG SER A 7 -0.620 -10.854 -20.672 1.00 0.00 O ATOM 0 H SER A 7 1.757 -8.066 -19.427 1.00 0.00 H new ATOM 0 HA SER A 7 0.261 -10.221 -18.146 1.00 0.00 H new ATOM 0 HB2 SER A 7 -0.568 -8.869 -20.100 1.00 0.00 H new ATOM 0 HB3 SER A 7 0.797 -9.401 -21.062 1.00 0.00 H new ATOM 0 HG SER A 7 -0.418 -11.056 -21.609 1.00 0.00 H new ATOM 96 N LEU A 8 2.925 -11.194 -19.855 1.00 0.00 N ATOM 97 CA LEU A 8 3.850 -12.344 -20.037 1.00 0.00 C ATOM 98 C LEU A 8 5.260 -11.821 -20.404 1.00 0.00 C ATOM 99 O LEU A 8 5.456 -11.058 -21.356 1.00 0.00 O ATOM 100 CB LEU A 8 3.289 -13.277 -21.140 1.00 0.00 C ATOM 101 CG LEU A 8 4.034 -14.580 -21.539 1.00 0.00 C ATOM 102 CD1 LEU A 8 5.143 -14.388 -22.589 1.00 0.00 C ATOM 103 CD2 LEU A 8 4.537 -15.450 -20.374 1.00 0.00 C ATOM 0 H LEU A 8 3.185 -10.372 -20.401 1.00 0.00 H new ATOM 0 HA LEU A 8 3.932 -12.914 -19.112 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.283 -13.565 -20.834 1.00 0.00 H new ATOM 0 HB3 LEU A 8 3.187 -12.677 -22.045 1.00 0.00 H new ATOM 0 HG LEU A 8 3.229 -15.145 -22.010 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.608 -15.349 -22.807 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.712 -13.978 -23.503 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.895 -13.700 -22.202 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.041 -16.332 -20.770 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.236 -14.875 -19.766 1.00 0.00 H new ATOM 0 HD23 LEU A 8 3.691 -15.760 -19.760 1.00 0.00 H new ATOM 115 N GLN A 9 6.250 -12.341 -19.679 1.00 0.00 N ATOM 116 CA GLN A 9 7.675 -12.345 -20.145 1.00 0.00 C ATOM 117 C GLN A 9 8.511 -13.602 -19.754 1.00 0.00 C ATOM 118 O GLN A 9 9.440 -13.972 -20.473 1.00 0.00 O ATOM 119 CB GLN A 9 8.377 -10.999 -19.792 1.00 0.00 C ATOM 120 CG GLN A 9 8.606 -10.703 -18.283 1.00 0.00 C ATOM 121 CD GLN A 9 8.979 -9.250 -17.975 1.00 0.00 C ATOM 122 OE1 GLN A 9 10.137 -8.849 -17.968 1.00 0.00 O ATOM 123 NE2 GLN A 9 8.011 -8.404 -17.710 1.00 0.00 N ATOM 0 H GLN A 9 6.112 -12.770 -18.764 1.00 0.00 H new ATOM 0 HA GLN A 9 7.625 -12.428 -21.231 1.00 0.00 H new ATOM 0 HB2 GLN A 9 9.345 -10.979 -20.293 1.00 0.00 H new ATOM 0 HB3 GLN A 9 7.784 -10.186 -20.212 1.00 0.00 H new ATOM 0 HG2 GLN A 9 7.700 -10.957 -17.733 1.00 0.00 H new ATOM 0 HG3 GLN A 9 9.397 -11.355 -17.913 1.00 0.00 H new ATOM 0 HE21 GLN A 9 7.042 -8.721 -17.712 1.00 0.00 H new ATOM 0 HE22 GLN A 9 8.228 -7.429 -17.502 1.00 0.00 H new ATOM 132 N ASP A 10 8.164 -14.242 -18.634 1.00 0.00 N ATOM 133 CA ASP A 10 9.019 -15.243 -17.946 1.00 0.00 C ATOM 134 C ASP A 10 8.059 -16.033 -17.003 1.00 0.00 C ATOM 135 O ASP A 10 8.105 -15.894 -15.774 1.00 0.00 O ATOM 136 CB ASP A 10 10.187 -14.578 -17.151 1.00 0.00 C ATOM 137 CG ASP A 10 11.377 -14.078 -17.961 1.00 0.00 C ATOM 138 OD1 ASP A 10 12.167 -14.918 -18.440 1.00 0.00 O ATOM 139 OD2 ASP A 10 11.540 -12.847 -18.096 1.00 0.00 O ATOM 0 H ASP A 10 7.272 -14.085 -18.165 1.00 0.00 H new ATOM 0 HA ASP A 10 9.509 -15.899 -18.665 1.00 0.00 H new ATOM 0 HB2 ASP A 10 9.780 -13.736 -16.592 1.00 0.00 H new ATOM 0 HB3 ASP A 10 10.553 -15.299 -16.420 1.00 0.00 H new ATOM 144 N ALA A 11 7.152 -16.865 -17.561 1.00 0.00 N ATOM 145 CA ALA A 11 6.308 -17.751 -16.712 1.00 0.00 C ATOM 146 C ALA A 11 7.132 -18.924 -16.073 1.00 0.00 C ATOM 147 O ALA A 11 8.137 -19.351 -16.654 1.00 0.00 O ATOM 148 CB ALA A 11 5.135 -18.252 -17.572 1.00 0.00 C ATOM 0 H ALA A 11 6.984 -16.946 -18.564 1.00 0.00 H new ATOM 0 HA ALA A 11 5.921 -17.188 -15.863 1.00 0.00 H new ATOM 0 HB1 ALA A 11 4.499 -18.905 -16.975 1.00 0.00 H new ATOM 0 HB2 ALA A 11 4.553 -17.401 -17.924 1.00 0.00 H new ATOM 0 HB3 ALA A 11 5.522 -18.806 -18.427 1.00 0.00 H new ATOM 154 N GLU A 12 6.709 -19.499 -14.926 1.00 0.00 N ATOM 155 CA GLU A 12 7.466 -20.613 -14.237 1.00 0.00 C ATOM 156 C GLU A 12 7.484 -22.031 -14.950 1.00 0.00 C ATOM 157 O GLU A 12 7.511 -23.097 -14.328 1.00 0.00 O ATOM 158 CB GLU A 12 6.920 -20.707 -12.782 1.00 0.00 C ATOM 159 CG GLU A 12 7.237 -19.508 -11.851 1.00 0.00 C ATOM 160 CD GLU A 12 6.681 -19.674 -10.447 1.00 0.00 C ATOM 161 OE1 GLU A 12 5.517 -19.286 -10.217 1.00 0.00 O ATOM 162 OE2 GLU A 12 7.410 -20.181 -9.569 1.00 0.00 O ATOM 0 H GLU A 12 5.853 -19.224 -14.445 1.00 0.00 H new ATOM 0 HA GLU A 12 8.521 -20.340 -14.275 1.00 0.00 H new ATOM 0 HB2 GLU A 12 5.838 -20.826 -12.830 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.321 -21.611 -12.324 1.00 0.00 H new ATOM 0 HG2 GLU A 12 8.318 -19.378 -11.793 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.829 -18.598 -12.291 1.00 0.00 H new ATOM 169 N TRP A 13 7.547 -22.003 -16.283 1.00 0.00 N ATOM 170 CA TRP A 13 7.183 -23.086 -17.237 1.00 0.00 C ATOM 171 C TRP A 13 7.778 -22.672 -18.634 1.00 0.00 C ATOM 172 O TRP A 13 8.609 -23.401 -19.186 1.00 0.00 O ATOM 173 CB TRP A 13 5.646 -23.325 -17.361 1.00 0.00 C ATOM 174 CG TRP A 13 4.855 -23.798 -16.129 1.00 0.00 C ATOM 175 CD1 TRP A 13 5.229 -24.798 -15.200 1.00 0.00 C ATOM 176 CD2 TRP A 13 3.606 -23.362 -15.713 1.00 0.00 C ATOM 177 NE1 TRP A 13 4.258 -24.971 -14.195 1.00 0.00 N ATOM 178 CE2 TRP A 13 3.259 -24.076 -14.537 1.00 0.00 C ATOM 179 CE3 TRP A 13 2.704 -22.414 -16.267 1.00 0.00 C ATOM 180 CZ2 TRP A 13 2.011 -23.852 -13.912 1.00 0.00 C ATOM 181 CZ3 TRP A 13 1.478 -22.210 -15.632 1.00 0.00 C ATOM 182 CH2 TRP A 13 1.137 -22.916 -14.471 1.00 0.00 C ATOM 0 H TRP A 13 7.875 -21.170 -16.772 1.00 0.00 H new ATOM 0 HA TRP A 13 7.591 -24.028 -16.870 1.00 0.00 H new ATOM 0 HB2 TRP A 13 5.196 -22.392 -17.701 1.00 0.00 H new ATOM 0 HB3 TRP A 13 5.492 -24.060 -18.151 1.00 0.00 H new ATOM 0 HD1 TRP A 13 6.149 -25.361 -15.255 1.00 0.00 H new ATOM 0 HE1 TRP A 13 4.285 -25.608 -13.399 1.00 0.00 H new ATOM 0 HE3 TRP A 13 2.961 -21.863 -17.160 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 1.738 -24.394 -13.019 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 0.780 -21.495 -16.043 1.00 0.00 H new ATOM 0 HH2 TRP A 13 0.182 -22.734 -14.000 1.00 0.00 H new ATOM 193 N TYR A 14 7.376 -21.482 -19.159 1.00 0.00 N ATOM 194 CA TYR A 14 7.985 -20.802 -20.335 1.00 0.00 C ATOM 195 C TYR A 14 9.547 -20.700 -20.341 1.00 0.00 C ATOM 196 O TYR A 14 10.189 -20.435 -19.321 1.00 0.00 O ATOM 197 CB TYR A 14 7.315 -19.406 -20.480 1.00 0.00 C ATOM 198 CG TYR A 14 7.632 -18.558 -21.735 1.00 0.00 C ATOM 199 CD1 TYR A 14 7.333 -19.027 -23.021 1.00 0.00 C ATOM 200 CD2 TYR A 14 8.182 -17.278 -21.590 1.00 0.00 C ATOM 201 CE1 TYR A 14 7.569 -18.223 -24.138 1.00 0.00 C ATOM 202 CE2 TYR A 14 8.406 -16.476 -22.706 1.00 0.00 C ATOM 203 CZ TYR A 14 8.084 -16.941 -23.977 1.00 0.00 C ATOM 204 OH TYR A 14 8.254 -16.111 -25.057 1.00 0.00 O ATOM 0 H TYR A 14 6.597 -20.955 -18.764 1.00 0.00 H new ATOM 0 HA TYR A 14 7.788 -21.434 -21.201 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.235 -19.552 -20.443 1.00 0.00 H new ATOM 0 HB3 TYR A 14 7.587 -18.816 -19.605 1.00 0.00 H new ATOM 0 HD1 TYR A 14 6.918 -20.016 -23.149 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.434 -16.911 -20.606 1.00 0.00 H new ATOM 0 HE1 TYR A 14 7.352 -18.597 -25.128 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.831 -15.490 -22.585 1.00 0.00 H new ATOM 0 HH TYR A 14 7.644 -16.379 -25.775 1.00 0.00 H new ATOM 214 N TRP A 15 10.120 -20.904 -21.531 1.00 0.00 N ATOM 215 CA TRP A 15 11.578 -20.775 -21.785 1.00 0.00 C ATOM 216 C TRP A 15 11.896 -19.748 -22.920 1.00 0.00 C ATOM 217 O TRP A 15 12.665 -18.814 -22.684 1.00 0.00 O ATOM 218 CB TRP A 15 12.169 -22.205 -22.022 1.00 0.00 C ATOM 219 CG TRP A 15 13.161 -22.698 -20.959 1.00 0.00 C ATOM 220 CD1 TRP A 15 13.194 -24.016 -20.473 1.00 0.00 C ATOM 221 CD2 TRP A 15 14.264 -22.072 -20.389 1.00 0.00 C ATOM 222 NE1 TRP A 15 14.243 -24.223 -19.557 1.00 0.00 N ATOM 223 CE2 TRP A 15 14.907 -23.011 -19.541 1.00 0.00 C ATOM 224 CE3 TRP A 15 14.849 -20.795 -20.610 1.00 0.00 C ATOM 225 CZ2 TRP A 15 16.132 -22.685 -18.918 1.00 0.00 C ATOM 226 CZ3 TRP A 15 16.051 -20.491 -19.970 1.00 0.00 C ATOM 227 CH2 TRP A 15 16.684 -21.422 -19.138 1.00 0.00 C ATOM 0 H TRP A 15 9.588 -21.167 -22.361 1.00 0.00 H new ATOM 0 HA TRP A 15 12.073 -20.350 -20.912 1.00 0.00 H new ATOM 0 HB2 TRP A 15 11.344 -22.915 -22.080 1.00 0.00 H new ATOM 0 HB3 TRP A 15 12.667 -22.216 -22.991 1.00 0.00 H new ATOM 0 HD1 TRP A 15 12.494 -24.783 -20.769 1.00 0.00 H new ATOM 0 HE1 TRP A 15 14.461 -25.068 -19.030 1.00 0.00 H new ATOM 0 HE3 TRP A 15 14.373 -20.075 -21.260 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 16.633 -23.400 -18.283 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 16.501 -19.521 -20.119 1.00 0.00 H new ATOM 0 HH2 TRP A 15 17.615 -21.159 -18.658 1.00 0.00 H new ATOM 238 N GLY A 16 11.344 -19.921 -24.136 1.00 0.00 N ATOM 239 CA GLY A 16 11.742 -19.120 -25.324 1.00 0.00 C ATOM 240 C GLY A 16 12.651 -19.902 -26.291 1.00 0.00 C ATOM 241 O GLY A 16 12.154 -20.606 -27.170 1.00 0.00 O ATOM 0 H GLY A 16 10.617 -20.610 -24.328 1.00 0.00 H new ATOM 0 HA2 GLY A 16 10.847 -18.796 -25.855 1.00 0.00 H new ATOM 0 HA3 GLY A 16 12.260 -18.220 -24.993 1.00 0.00 H new ATOM 245 N ASP A 17 13.972 -19.781 -26.120 1.00 0.00 N ATOM 246 CA ASP A 17 14.979 -20.330 -27.065 1.00 0.00 C ATOM 247 C ASP A 17 15.970 -21.296 -26.330 1.00 0.00 C ATOM 248 O ASP A 17 16.982 -20.870 -25.765 1.00 0.00 O ATOM 249 CB ASP A 17 15.656 -19.131 -27.796 1.00 0.00 C ATOM 250 CG ASP A 17 16.369 -18.057 -26.955 1.00 0.00 C ATOM 251 OD1 ASP A 17 15.714 -17.434 -26.088 1.00 0.00 O ATOM 252 OD2 ASP A 17 17.575 -17.819 -27.177 1.00 0.00 O ATOM 0 H ASP A 17 14.385 -19.299 -25.322 1.00 0.00 H new ATOM 0 HA ASP A 17 14.513 -20.955 -27.827 1.00 0.00 H new ATOM 0 HB2 ASP A 17 16.385 -19.540 -28.496 1.00 0.00 H new ATOM 0 HB3 ASP A 17 14.890 -18.631 -28.389 1.00 0.00 H new ATOM 257 N ILE A 18 15.687 -22.615 -26.320 1.00 0.00 N ATOM 258 CA ILE A 18 16.610 -23.637 -25.729 1.00 0.00 C ATOM 259 C ILE A 18 16.821 -24.833 -26.733 1.00 0.00 C ATOM 260 O ILE A 18 16.619 -24.708 -27.947 1.00 0.00 O ATOM 261 CB ILE A 18 16.213 -24.012 -24.246 1.00 0.00 C ATOM 262 CG1 ILE A 18 14.817 -24.681 -24.103 1.00 0.00 C ATOM 263 CG2 ILE A 18 16.379 -22.845 -23.245 1.00 0.00 C ATOM 264 CD1 ILE A 18 14.720 -25.708 -22.970 1.00 0.00 C ATOM 0 H ILE A 18 14.831 -23.008 -26.711 1.00 0.00 H new ATOM 0 HA ILE A 18 17.605 -23.210 -25.603 1.00 0.00 H new ATOM 0 HB ILE A 18 16.945 -24.774 -23.976 1.00 0.00 H new ATOM 0 HG12 ILE A 18 14.071 -23.904 -23.938 1.00 0.00 H new ATOM 0 HG13 ILE A 18 14.564 -25.171 -25.043 1.00 0.00 H new ATOM 0 HG21 ILE A 18 16.088 -23.176 -22.248 1.00 0.00 H new ATOM 0 HG22 ILE A 18 17.420 -22.523 -23.231 1.00 0.00 H new ATOM 0 HG23 ILE A 18 15.746 -22.012 -23.550 1.00 0.00 H new ATOM 0 HD11 ILE A 18 13.713 -26.125 -22.942 1.00 0.00 H new ATOM 0 HD12 ILE A 18 15.440 -26.508 -23.142 1.00 0.00 H new ATOM 0 HD13 ILE A 18 14.938 -25.222 -22.019 1.00 0.00 H new ATOM 276 N SER A 19 17.262 -25.998 -26.230 1.00 0.00 N ATOM 277 CA SER A 19 17.684 -27.156 -27.060 1.00 0.00 C ATOM 278 C SER A 19 16.806 -28.410 -26.731 1.00 0.00 C ATOM 279 O SER A 19 15.691 -28.325 -26.212 1.00 0.00 O ATOM 280 CB SER A 19 19.209 -27.310 -26.773 1.00 0.00 C ATOM 281 OG SER A 19 19.797 -28.297 -27.624 1.00 0.00 O ATOM 0 H SER A 19 17.339 -26.171 -25.228 1.00 0.00 H new ATOM 0 HA SER A 19 17.534 -27.021 -28.131 1.00 0.00 H new ATOM 0 HB2 SER A 19 19.709 -26.353 -26.922 1.00 0.00 H new ATOM 0 HB3 SER A 19 19.359 -27.589 -25.730 1.00 0.00 H new ATOM 0 HG SER A 19 20.754 -28.373 -27.425 1.00 0.00 H new ATOM 287 N ARG A 20 17.321 -29.606 -27.017 1.00 0.00 N ATOM 288 CA ARG A 20 16.913 -30.841 -26.296 1.00 0.00 C ATOM 289 C ARG A 20 17.480 -30.982 -24.854 1.00 0.00 C ATOM 290 O ARG A 20 16.758 -31.550 -24.046 1.00 0.00 O ATOM 291 CB ARG A 20 17.176 -32.052 -27.225 1.00 0.00 C ATOM 292 CG ARG A 20 16.867 -33.489 -26.720 1.00 0.00 C ATOM 293 CD ARG A 20 17.953 -34.100 -25.803 1.00 0.00 C ATOM 294 NE ARG A 20 17.726 -35.557 -25.575 1.00 0.00 N ATOM 295 CZ ARG A 20 18.289 -36.552 -26.264 1.00 0.00 C ATOM 296 NH1 ARG A 20 19.074 -36.367 -27.296 1.00 0.00 N ATOM 297 NH2 ARG A 20 18.040 -37.775 -25.894 1.00 0.00 N ATOM 0 H ARG A 20 18.023 -29.760 -27.741 1.00 0.00 H new ATOM 0 HA ARG A 20 15.845 -30.785 -26.087 1.00 0.00 H new ATOM 0 HB2 ARG A 20 16.599 -31.895 -28.136 1.00 0.00 H new ATOM 0 HB3 ARG A 20 18.229 -32.025 -27.506 1.00 0.00 H new ATOM 0 HG2 ARG A 20 15.921 -33.474 -26.179 1.00 0.00 H new ATOM 0 HG3 ARG A 20 16.730 -34.141 -27.583 1.00 0.00 H new ATOM 0 HD2 ARG A 20 18.935 -33.950 -26.252 1.00 0.00 H new ATOM 0 HD3 ARG A 20 17.957 -33.578 -24.846 1.00 0.00 H new ATOM 0 HE ARG A 20 17.084 -35.816 -24.826 1.00 0.00 H new ATOM 0 HH11 ARG A 20 19.285 -35.421 -27.613 1.00 0.00 H new ATOM 0 HH12 ARG A 20 19.475 -37.169 -27.782 1.00 0.00 H new ATOM 0 HH21 ARG A 20 17.429 -37.952 -25.097 1.00 0.00 H new ATOM 0 HH22 ARG A 20 18.456 -38.556 -26.401 1.00 0.00 H new ATOM 311 N GLU A 21 18.704 -30.557 -24.492 1.00 0.00 N ATOM 312 CA GLU A 21 19.296 -30.859 -23.151 1.00 0.00 C ATOM 313 C GLU A 21 18.513 -30.359 -21.887 1.00 0.00 C ATOM 314 O GLU A 21 18.239 -31.161 -20.992 1.00 0.00 O ATOM 315 CB GLU A 21 20.786 -30.437 -23.205 1.00 0.00 C ATOM 316 CG GLU A 21 21.591 -30.735 -21.917 1.00 0.00 C ATOM 317 CD GLU A 21 23.093 -30.642 -22.102 1.00 0.00 C ATOM 318 OE1 GLU A 21 23.655 -29.542 -21.925 1.00 0.00 O ATOM 319 OE2 GLU A 21 23.715 -31.675 -22.424 1.00 0.00 O ATOM 0 H GLU A 21 19.310 -30.004 -25.098 1.00 0.00 H new ATOM 0 HA GLU A 21 19.205 -31.932 -22.982 1.00 0.00 H new ATOM 0 HB2 GLU A 21 21.264 -30.947 -24.042 1.00 0.00 H new ATOM 0 HB3 GLU A 21 20.839 -29.368 -23.411 1.00 0.00 H new ATOM 0 HG2 GLU A 21 21.286 -30.036 -21.138 1.00 0.00 H new ATOM 0 HG3 GLU A 21 21.338 -31.735 -21.564 1.00 0.00 H new ATOM 326 N GLU A 22 18.098 -29.087 -21.821 1.00 0.00 N ATOM 327 CA GLU A 22 17.133 -28.625 -20.768 1.00 0.00 C ATOM 328 C GLU A 22 15.633 -29.051 -20.972 1.00 0.00 C ATOM 329 O GLU A 22 14.882 -29.149 -19.995 1.00 0.00 O ATOM 330 CB GLU A 22 17.298 -27.109 -20.498 1.00 0.00 C ATOM 331 CG GLU A 22 18.657 -26.737 -19.854 1.00 0.00 C ATOM 332 CD GLU A 22 18.697 -25.349 -19.249 1.00 0.00 C ATOM 333 OE1 GLU A 22 18.961 -24.376 -19.981 1.00 0.00 O ATOM 334 OE2 GLU A 22 18.451 -25.225 -18.031 1.00 0.00 O ATOM 0 H GLU A 22 18.399 -28.356 -22.465 1.00 0.00 H new ATOM 0 HA GLU A 22 17.413 -29.173 -19.868 1.00 0.00 H new ATOM 0 HB2 GLU A 22 17.191 -26.567 -21.438 1.00 0.00 H new ATOM 0 HB3 GLU A 22 16.492 -26.775 -19.844 1.00 0.00 H new ATOM 0 HG2 GLU A 22 18.891 -27.466 -19.078 1.00 0.00 H new ATOM 0 HG3 GLU A 22 19.438 -26.814 -20.610 1.00 0.00 H new ATOM 341 N VAL A 23 15.207 -29.401 -22.203 1.00 0.00 N ATOM 342 CA VAL A 23 14.002 -30.259 -22.431 1.00 0.00 C ATOM 343 C VAL A 23 14.179 -31.731 -21.895 1.00 0.00 C ATOM 344 O VAL A 23 13.215 -32.266 -21.365 1.00 0.00 O ATOM 345 CB VAL A 23 13.568 -30.130 -23.943 1.00 0.00 C ATOM 346 CG1 VAL A 23 12.343 -30.985 -24.341 1.00 0.00 C ATOM 347 CG2 VAL A 23 13.196 -28.679 -24.352 1.00 0.00 C ATOM 0 H VAL A 23 15.673 -29.108 -23.062 1.00 0.00 H new ATOM 0 HA VAL A 23 13.169 -29.898 -21.827 1.00 0.00 H new ATOM 0 HB VAL A 23 14.461 -30.483 -24.459 1.00 0.00 H new ATOM 0 HG11 VAL A 23 12.120 -30.831 -25.397 1.00 0.00 H new ATOM 0 HG12 VAL A 23 12.562 -32.038 -24.166 1.00 0.00 H new ATOM 0 HG13 VAL A 23 11.482 -30.689 -23.741 1.00 0.00 H new ATOM 0 HG21 VAL A 23 12.907 -28.660 -25.403 1.00 0.00 H new ATOM 0 HG22 VAL A 23 12.364 -28.331 -23.740 1.00 0.00 H new ATOM 0 HG23 VAL A 23 14.056 -28.026 -24.200 1.00 0.00 H new ATOM 357 N ASN A 24 15.360 -32.374 -21.929 1.00 0.00 N ATOM 358 CA ASN A 24 15.673 -33.614 -21.155 1.00 0.00 C ATOM 359 C ASN A 24 15.424 -33.513 -19.611 1.00 0.00 C ATOM 360 O ASN A 24 14.755 -34.368 -19.032 1.00 0.00 O ATOM 361 CB ASN A 24 17.146 -34.025 -21.450 1.00 0.00 C ATOM 362 CG ASN A 24 17.467 -35.518 -21.317 1.00 0.00 C ATOM 363 OD1 ASN A 24 16.875 -36.265 -20.545 1.00 0.00 O ATOM 364 ND2 ASN A 24 18.460 -35.999 -22.026 1.00 0.00 N ATOM 0 H ASN A 24 16.142 -32.052 -22.499 1.00 0.00 H new ATOM 0 HA ASN A 24 14.973 -34.378 -21.492 1.00 0.00 H new ATOM 0 HB2 ASN A 24 17.394 -33.709 -22.463 1.00 0.00 H new ATOM 0 HB3 ASN A 24 17.799 -33.472 -20.775 1.00 0.00 H new ATOM 0 HD21 ASN A 24 18.728 -36.979 -21.930 1.00 0.00 H new ATOM 0 HD22 ASN A 24 18.965 -35.394 -22.673 1.00 0.00 H new ATOM 371 N GLU A 25 15.969 -32.461 -18.974 1.00 0.00 N ATOM 372 CA GLU A 25 15.740 -32.135 -17.545 1.00 0.00 C ATOM 373 C GLU A 25 14.259 -31.835 -17.145 1.00 0.00 C ATOM 374 O GLU A 25 13.769 -32.382 -16.153 1.00 0.00 O ATOM 375 CB GLU A 25 16.693 -30.934 -17.277 1.00 0.00 C ATOM 376 CG GLU A 25 16.830 -30.509 -15.798 1.00 0.00 C ATOM 377 CD GLU A 25 17.267 -29.066 -15.610 1.00 0.00 C ATOM 378 OE1 GLU A 25 16.444 -28.146 -15.819 1.00 0.00 O ATOM 379 OE2 GLU A 25 18.427 -28.819 -15.225 1.00 0.00 O ATOM 0 H GLU A 25 16.591 -31.800 -19.440 1.00 0.00 H new ATOM 0 HA GLU A 25 15.951 -33.003 -16.920 1.00 0.00 H new ATOM 0 HB2 GLU A 25 17.683 -31.187 -17.657 1.00 0.00 H new ATOM 0 HB3 GLU A 25 16.340 -30.078 -17.851 1.00 0.00 H new ATOM 0 HG2 GLU A 25 15.873 -30.657 -15.298 1.00 0.00 H new ATOM 0 HG3 GLU A 25 17.551 -31.163 -15.307 1.00 0.00 H new ATOM 386 N LYS A 26 13.544 -30.987 -17.903 1.00 0.00 N ATOM 387 CA LYS A 26 12.109 -30.711 -17.687 1.00 0.00 C ATOM 388 C LYS A 26 11.213 -31.893 -18.164 1.00 0.00 C ATOM 389 O LYS A 26 10.510 -32.483 -17.345 1.00 0.00 O ATOM 390 CB LYS A 26 11.793 -29.322 -18.311 1.00 0.00 C ATOM 391 CG LYS A 26 12.440 -28.143 -17.534 1.00 0.00 C ATOM 392 CD LYS A 26 12.355 -26.744 -18.177 1.00 0.00 C ATOM 393 CE LYS A 26 10.947 -26.130 -18.173 1.00 0.00 C ATOM 394 NZ LYS A 26 10.952 -24.642 -18.277 1.00 0.00 N ATOM 0 H LYS A 26 13.944 -30.471 -18.686 1.00 0.00 H new ATOM 0 HA LYS A 26 11.869 -30.646 -16.626 1.00 0.00 H new ATOM 0 HB2 LYS A 26 12.144 -29.306 -19.343 1.00 0.00 H new ATOM 0 HB3 LYS A 26 10.713 -29.181 -18.340 1.00 0.00 H new ATOM 0 HG2 LYS A 26 11.974 -28.091 -16.550 1.00 0.00 H new ATOM 0 HG3 LYS A 26 13.492 -28.379 -17.377 1.00 0.00 H new ATOM 0 HD2 LYS A 26 13.033 -26.073 -17.649 1.00 0.00 H new ATOM 0 HD3 LYS A 26 12.708 -26.808 -19.206 1.00 0.00 H new ATOM 0 HE2 LYS A 26 10.376 -26.543 -19.004 1.00 0.00 H new ATOM 0 HE3 LYS A 26 10.434 -26.422 -17.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 10.007 -24.310 -18.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 11.205 -24.230 -17.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 11.648 -24.346 -18.991 1.00 0.00 H new ATOM 408 N LEU A 27 11.286 -32.328 -19.432 1.00 0.00 N ATOM 409 CA LEU A 27 10.578 -33.547 -19.912 1.00 0.00 C ATOM 410 C LEU A 27 11.390 -34.835 -19.518 1.00 0.00 C ATOM 411 O LEU A 27 11.943 -35.544 -20.365 1.00 0.00 O ATOM 412 CB LEU A 27 10.256 -33.408 -21.438 1.00 0.00 C ATOM 413 CG LEU A 27 9.216 -32.334 -21.879 1.00 0.00 C ATOM 414 CD1 LEU A 27 9.674 -30.891 -21.671 1.00 0.00 C ATOM 415 CD2 LEU A 27 8.754 -32.485 -23.337 1.00 0.00 C ATOM 0 H LEU A 27 11.830 -31.857 -20.155 1.00 0.00 H new ATOM 0 HA LEU A 27 9.612 -33.656 -19.418 1.00 0.00 H new ATOM 0 HB2 LEU A 27 11.191 -33.198 -21.957 1.00 0.00 H new ATOM 0 HB3 LEU A 27 9.905 -34.377 -21.793 1.00 0.00 H new ATOM 0 HG LEU A 27 8.377 -32.532 -21.212 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.891 -30.209 -22.004 1.00 0.00 H new ATOM 0 HD12 LEU A 27 9.876 -30.722 -20.613 1.00 0.00 H new ATOM 0 HD13 LEU A 27 10.581 -30.711 -22.247 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.031 -31.704 -23.573 1.00 0.00 H new ATOM 0 HD22 LEU A 27 9.613 -32.397 -24.002 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.289 -33.462 -23.472 1.00 0.00 H new ATOM 427 N ARG A 28 11.397 -35.145 -18.204 1.00 0.00 N ATOM 428 CA ARG A 28 12.118 -36.298 -17.614 1.00 0.00 C ATOM 429 C ARG A 28 11.091 -37.432 -17.268 1.00 0.00 C ATOM 430 O ARG A 28 10.888 -38.343 -18.077 1.00 0.00 O ATOM 431 CB ARG A 28 12.962 -35.718 -16.435 1.00 0.00 C ATOM 432 CG ARG A 28 14.116 -36.612 -15.930 1.00 0.00 C ATOM 433 CD ARG A 28 15.345 -36.505 -16.848 1.00 0.00 C ATOM 434 NE ARG A 28 16.479 -37.284 -16.285 1.00 0.00 N ATOM 435 CZ ARG A 28 17.729 -37.254 -16.747 1.00 0.00 C ATOM 436 NH1 ARG A 28 18.082 -36.654 -17.858 1.00 0.00 N ATOM 437 NH2 ARG A 28 18.654 -37.860 -16.060 1.00 0.00 N ATOM 0 H ARG A 28 10.894 -34.593 -17.510 1.00 0.00 H new ATOM 0 HA ARG A 28 12.818 -36.794 -18.287 1.00 0.00 H new ATOM 0 HB2 ARG A 28 13.379 -34.761 -16.748 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.292 -35.515 -15.599 1.00 0.00 H new ATOM 0 HG2 ARG A 28 14.389 -36.319 -14.916 1.00 0.00 H new ATOM 0 HG3 ARG A 28 13.783 -37.649 -15.883 1.00 0.00 H new ATOM 0 HD2 ARG A 28 15.098 -36.877 -17.842 1.00 0.00 H new ATOM 0 HD3 ARG A 28 15.633 -35.460 -16.961 1.00 0.00 H new ATOM 0 HE ARG A 28 16.286 -37.887 -15.485 1.00 0.00 H new ATOM 0 HH11 ARG A 28 17.382 -36.174 -18.423 1.00 0.00 H new ATOM 0 HH12 ARG A 28 19.057 -36.667 -18.157 1.00 0.00 H new ATOM 0 HH21 ARG A 28 18.413 -38.341 -15.193 1.00 0.00 H new ATOM 0 HH22 ARG A 28 19.620 -37.854 -16.389 1.00 0.00 H new ATOM 451 N ASP A 29 10.380 -37.299 -16.132 1.00 0.00 N ATOM 452 CA ASP A 29 9.172 -38.095 -15.747 1.00 0.00 C ATOM 453 C ASP A 29 8.030 -38.287 -16.812 1.00 0.00 C ATOM 454 O ASP A 29 7.506 -39.382 -17.014 1.00 0.00 O ATOM 455 CB ASP A 29 8.662 -37.304 -14.500 1.00 0.00 C ATOM 456 CG ASP A 29 7.467 -37.899 -13.756 1.00 0.00 C ATOM 457 OD1 ASP A 29 7.652 -38.877 -13.005 1.00 0.00 O ATOM 458 OD2 ASP A 29 6.342 -37.371 -13.915 1.00 0.00 O ATOM 0 H ASP A 29 10.631 -36.611 -15.422 1.00 0.00 H new ATOM 0 HA ASP A 29 9.451 -39.137 -15.592 1.00 0.00 H new ATOM 0 HB2 ASP A 29 9.488 -37.208 -13.796 1.00 0.00 H new ATOM 0 HB3 ASP A 29 8.397 -36.296 -14.820 1.00 0.00 H new ATOM 463 N THR A 30 7.643 -37.167 -17.427 1.00 0.00 N ATOM 464 CA THR A 30 6.328 -36.958 -18.095 1.00 0.00 C ATOM 465 C THR A 30 5.938 -37.934 -19.264 1.00 0.00 C ATOM 466 O THR A 30 6.780 -38.574 -19.897 1.00 0.00 O ATOM 467 CB THR A 30 6.318 -35.449 -18.545 1.00 0.00 C ATOM 468 OG1 THR A 30 7.392 -35.117 -19.415 1.00 0.00 O ATOM 469 CG2 THR A 30 6.383 -34.420 -17.397 1.00 0.00 C ATOM 0 H THR A 30 8.246 -36.346 -17.483 1.00 0.00 H new ATOM 0 HA THR A 30 5.548 -37.203 -17.374 1.00 0.00 H new ATOM 0 HB THR A 30 5.353 -35.380 -19.046 1.00 0.00 H new ATOM 0 HG1 THR A 30 7.113 -34.398 -20.020 1.00 0.00 H new ATOM 0 HG21 THR A 30 6.371 -33.412 -17.811 1.00 0.00 H new ATOM 0 HG22 THR A 30 5.523 -34.553 -16.740 1.00 0.00 H new ATOM 0 HG23 THR A 30 7.301 -34.567 -16.828 1.00 0.00 H new ATOM 477 N ALA A 31 4.641 -38.001 -19.615 1.00 0.00 N ATOM 478 CA ALA A 31 4.182 -38.573 -20.925 1.00 0.00 C ATOM 479 C ALA A 31 3.100 -37.751 -21.720 1.00 0.00 C ATOM 480 O ALA A 31 2.615 -38.219 -22.756 1.00 0.00 O ATOM 481 CB ALA A 31 3.752 -40.027 -20.669 1.00 0.00 C ATOM 0 H ALA A 31 3.881 -37.670 -19.020 1.00 0.00 H new ATOM 0 HA ALA A 31 5.029 -38.519 -21.609 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.411 -40.475 -21.602 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.599 -40.594 -20.282 1.00 0.00 H new ATOM 0 HB3 ALA A 31 2.941 -40.044 -19.941 1.00 0.00 H new ATOM 487 N ASP A 32 2.731 -36.539 -21.265 1.00 0.00 N ATOM 488 CA ASP A 32 1.560 -35.757 -21.751 1.00 0.00 C ATOM 489 C ASP A 32 1.646 -34.318 -21.124 1.00 0.00 C ATOM 490 O ASP A 32 2.304 -34.066 -20.106 1.00 0.00 O ATOM 491 CB ASP A 32 0.214 -36.547 -21.601 1.00 0.00 C ATOM 492 CG ASP A 32 -1.029 -35.854 -21.032 1.00 0.00 C ATOM 493 OD1 ASP A 32 -1.470 -34.839 -21.614 1.00 0.00 O ATOM 494 OD2 ASP A 32 -1.565 -36.315 -20.005 1.00 0.00 O ATOM 0 H ASP A 32 3.248 -36.057 -20.530 1.00 0.00 H new ATOM 0 HA ASP A 32 1.583 -35.608 -22.830 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.051 -36.925 -22.589 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.417 -37.414 -20.972 1.00 0.00 H new ATOM 499 N GLY A 33 0.977 -33.360 -21.781 1.00 0.00 N ATOM 500 CA GLY A 33 0.800 -31.989 -21.234 1.00 0.00 C ATOM 501 C GLY A 33 2.005 -31.064 -20.903 1.00 0.00 C ATOM 502 O GLY A 33 1.803 -30.038 -20.252 1.00 0.00 O ATOM 0 H GLY A 33 0.545 -33.501 -22.694 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.176 -31.447 -21.944 1.00 0.00 H new ATOM 0 HA3 GLY A 33 0.222 -32.091 -20.315 1.00 0.00 H new ATOM 506 N THR A 34 3.231 -31.371 -21.340 1.00 0.00 N ATOM 507 CA THR A 34 4.445 -30.651 -20.863 1.00 0.00 C ATOM 508 C THR A 34 4.944 -29.599 -21.887 1.00 0.00 C ATOM 509 O THR A 34 5.805 -29.903 -22.712 1.00 0.00 O ATOM 510 CB THR A 34 5.540 -31.666 -20.424 1.00 0.00 C ATOM 511 OG1 THR A 34 4.999 -32.620 -19.522 1.00 0.00 O ATOM 512 CG2 THR A 34 6.720 -31.017 -19.686 1.00 0.00 C ATOM 0 H THR A 34 3.422 -32.107 -22.020 1.00 0.00 H new ATOM 0 HA THR A 34 4.178 -30.072 -19.979 1.00 0.00 H new ATOM 0 HB THR A 34 5.892 -32.115 -21.353 1.00 0.00 H new ATOM 0 HG1 THR A 34 4.645 -32.160 -18.732 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.443 -31.784 -19.411 1.00 0.00 H new ATOM 0 HG22 THR A 34 7.198 -30.285 -20.337 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.357 -30.521 -18.786 1.00 0.00 H new ATOM 520 N PHE A 35 4.452 -28.351 -21.781 1.00 0.00 N ATOM 521 CA PHE A 35 5.004 -27.203 -22.552 1.00 0.00 C ATOM 522 C PHE A 35 6.301 -26.603 -21.911 1.00 0.00 C ATOM 523 O PHE A 35 6.516 -26.642 -20.693 1.00 0.00 O ATOM 524 CB PHE A 35 3.862 -26.151 -22.788 1.00 0.00 C ATOM 525 CG PHE A 35 3.768 -24.896 -21.887 1.00 0.00 C ATOM 526 CD1 PHE A 35 4.493 -23.743 -22.218 1.00 0.00 C ATOM 527 CD2 PHE A 35 2.994 -24.902 -20.724 1.00 0.00 C ATOM 528 CE1 PHE A 35 4.458 -22.626 -21.390 1.00 0.00 C ATOM 529 CE2 PHE A 35 2.950 -23.777 -19.901 1.00 0.00 C ATOM 530 CZ PHE A 35 3.676 -22.638 -20.239 1.00 0.00 C ATOM 0 H PHE A 35 3.673 -28.104 -21.171 1.00 0.00 H new ATOM 0 HA PHE A 35 5.342 -27.556 -23.526 1.00 0.00 H new ATOM 0 HB2 PHE A 35 3.948 -25.805 -23.818 1.00 0.00 H new ATOM 0 HB3 PHE A 35 2.912 -26.680 -22.707 1.00 0.00 H new ATOM 0 HD1 PHE A 35 5.083 -23.722 -23.122 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.427 -25.783 -20.461 1.00 0.00 H new ATOM 0 HE1 PHE A 35 5.038 -21.750 -21.640 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.353 -23.789 -19.001 1.00 0.00 H new ATOM 0 HZ PHE A 35 3.632 -21.763 -19.607 1.00 0.00 H new ATOM 540 N LEU A 36 7.110 -25.949 -22.756 1.00 0.00 N ATOM 541 CA LEU A 36 8.217 -25.064 -22.296 1.00 0.00 C ATOM 542 C LEU A 36 8.529 -23.945 -23.326 1.00 0.00 C ATOM 543 O LEU A 36 8.549 -22.777 -22.944 1.00 0.00 O ATOM 544 CB LEU A 36 9.487 -25.792 -21.772 1.00 0.00 C ATOM 545 CG LEU A 36 9.804 -27.230 -22.249 1.00 0.00 C ATOM 546 CD1 LEU A 36 9.999 -27.373 -23.763 1.00 0.00 C ATOM 547 CD2 LEU A 36 11.033 -27.751 -21.508 1.00 0.00 C ATOM 0 H LEU A 36 7.026 -26.010 -23.771 1.00 0.00 H new ATOM 0 HA LEU A 36 7.829 -24.582 -21.399 1.00 0.00 H new ATOM 0 HB2 LEU A 36 10.345 -25.170 -22.024 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.421 -25.818 -20.684 1.00 0.00 H new ATOM 0 HG LEU A 36 8.924 -27.828 -22.014 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.217 -28.413 -24.005 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.090 -27.063 -24.278 1.00 0.00 H new ATOM 0 HD13 LEU A 36 10.830 -26.744 -24.084 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.258 -28.764 -21.843 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.885 -27.103 -21.715 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.835 -27.759 -20.436 1.00 0.00 H new ATOM 559 N VAL A 37 8.751 -24.294 -24.607 1.00 0.00 N ATOM 560 CA VAL A 37 9.049 -23.340 -25.720 1.00 0.00 C ATOM 561 C VAL A 37 10.601 -23.360 -25.922 1.00 0.00 C ATOM 562 O VAL A 37 11.331 -22.687 -25.194 1.00 0.00 O ATOM 563 CB VAL A 37 8.336 -21.932 -25.729 1.00 0.00 C ATOM 564 CG1 VAL A 37 8.594 -21.109 -27.002 1.00 0.00 C ATOM 565 CG2 VAL A 37 6.803 -21.988 -25.556 1.00 0.00 C ATOM 0 H VAL A 37 8.730 -25.266 -24.916 1.00 0.00 H new ATOM 0 HA VAL A 37 8.546 -23.697 -26.619 1.00 0.00 H new ATOM 0 HB VAL A 37 8.792 -21.452 -24.863 1.00 0.00 H new ATOM 0 HG11 VAL A 37 8.070 -20.156 -26.931 1.00 0.00 H new ATOM 0 HG12 VAL A 37 9.664 -20.928 -27.108 1.00 0.00 H new ATOM 0 HG13 VAL A 37 8.231 -21.659 -27.870 1.00 0.00 H new ATOM 0 HG21 VAL A 37 6.398 -20.976 -25.574 1.00 0.00 H new ATOM 0 HG22 VAL A 37 6.366 -22.569 -26.368 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.561 -22.459 -24.603 1.00 0.00 H new ATOM 575 N ARG A 38 11.092 -24.185 -26.870 1.00 0.00 N ATOM 576 CA ARG A 38 12.524 -24.168 -27.322 1.00 0.00 C ATOM 577 C ARG A 38 12.751 -23.405 -28.681 1.00 0.00 C ATOM 578 O ARG A 38 11.824 -22.797 -29.218 1.00 0.00 O ATOM 579 CB ARG A 38 13.086 -25.627 -27.283 1.00 0.00 C ATOM 580 CG ARG A 38 12.677 -26.604 -28.412 1.00 0.00 C ATOM 581 CD ARG A 38 13.416 -27.941 -28.280 1.00 0.00 C ATOM 582 NE ARG A 38 12.961 -28.967 -29.259 1.00 0.00 N ATOM 583 CZ ARG A 38 13.016 -30.288 -29.044 1.00 0.00 C ATOM 584 NH1 ARG A 38 13.637 -30.828 -28.028 1.00 0.00 N ATOM 585 NH2 ARG A 38 12.414 -31.093 -29.868 1.00 0.00 N ATOM 0 H ARG A 38 10.522 -24.882 -27.349 1.00 0.00 H new ATOM 0 HA ARG A 38 13.109 -23.570 -26.624 1.00 0.00 H new ATOM 0 HB2 ARG A 38 14.174 -25.564 -27.277 1.00 0.00 H new ATOM 0 HB3 ARG A 38 12.787 -26.073 -26.334 1.00 0.00 H new ATOM 0 HG2 ARG A 38 11.601 -26.775 -28.377 1.00 0.00 H new ATOM 0 HG3 ARG A 38 12.898 -26.157 -29.381 1.00 0.00 H new ATOM 0 HD2 ARG A 38 14.485 -27.772 -28.412 1.00 0.00 H new ATOM 0 HD3 ARG A 38 13.277 -28.326 -27.270 1.00 0.00 H new ATOM 0 HE ARG A 38 12.584 -28.643 -30.150 1.00 0.00 H new ATOM 0 HH11 ARG A 38 14.113 -30.236 -27.348 1.00 0.00 H new ATOM 0 HH12 ARG A 38 13.645 -31.842 -27.916 1.00 0.00 H new ATOM 0 HH21 ARG A 38 11.906 -30.717 -30.669 1.00 0.00 H new ATOM 0 HH22 ARG A 38 12.449 -32.101 -29.714 1.00 0.00 H new ATOM 599 N ASP A 39 13.965 -23.453 -29.270 1.00 0.00 N ATOM 600 CA ASP A 39 14.198 -22.981 -30.670 1.00 0.00 C ATOM 601 C ASP A 39 14.033 -24.177 -31.693 1.00 0.00 C ATOM 602 O ASP A 39 13.117 -24.997 -31.556 1.00 0.00 O ATOM 603 CB ASP A 39 15.541 -22.195 -30.628 1.00 0.00 C ATOM 604 CG ASP A 39 15.834 -21.407 -31.904 1.00 0.00 C ATOM 605 OD1 ASP A 39 16.406 -22.002 -32.844 1.00 0.00 O ATOM 606 OD2 ASP A 39 15.460 -20.222 -31.986 1.00 0.00 O ATOM 0 H ASP A 39 14.801 -23.810 -28.808 1.00 0.00 H new ATOM 0 HA ASP A 39 13.456 -22.284 -31.060 1.00 0.00 H new ATOM 0 HB2 ASP A 39 15.522 -21.507 -29.783 1.00 0.00 H new ATOM 0 HB3 ASP A 39 16.356 -22.896 -30.450 1.00 0.00 H new ATOM 611 N ALA A 40 14.851 -24.278 -32.756 1.00 0.00 N ATOM 612 CA ALA A 40 14.809 -25.381 -33.767 1.00 0.00 C ATOM 613 C ALA A 40 13.468 -25.669 -34.544 1.00 0.00 C ATOM 614 O ALA A 40 13.187 -26.811 -34.925 1.00 0.00 O ATOM 615 CB ALA A 40 15.463 -26.635 -33.139 1.00 0.00 C ATOM 0 H ALA A 40 15.577 -23.589 -32.951 1.00 0.00 H new ATOM 0 HA ALA A 40 15.386 -25.012 -34.615 1.00 0.00 H new ATOM 0 HB1 ALA A 40 15.444 -27.454 -33.858 1.00 0.00 H new ATOM 0 HB2 ALA A 40 16.496 -26.411 -32.871 1.00 0.00 H new ATOM 0 HB3 ALA A 40 14.911 -26.924 -32.245 1.00 0.00 H new ATOM 621 N SER A 41 12.652 -24.641 -34.842 1.00 0.00 N ATOM 622 CA SER A 41 11.546 -24.722 -35.854 1.00 0.00 C ATOM 623 C SER A 41 11.158 -23.306 -36.410 1.00 0.00 C ATOM 624 O SER A 41 9.989 -22.907 -36.396 1.00 0.00 O ATOM 625 CB SER A 41 10.324 -25.502 -35.294 1.00 0.00 C ATOM 626 OG SER A 41 10.642 -26.869 -35.035 1.00 0.00 O ATOM 0 H SER A 41 12.728 -23.726 -34.397 1.00 0.00 H new ATOM 0 HA SER A 41 11.918 -25.291 -36.706 1.00 0.00 H new ATOM 0 HB2 SER A 41 9.980 -25.028 -34.374 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.501 -25.449 -36.007 1.00 0.00 H new ATOM 0 HG SER A 41 11.570 -27.045 -35.298 1.00 0.00 H new ATOM 632 N THR A 42 12.149 -22.565 -36.944 1.00 0.00 N ATOM 633 CA THR A 42 11.993 -21.129 -37.313 1.00 0.00 C ATOM 634 C THR A 42 12.067 -20.928 -38.857 1.00 0.00 C ATOM 635 O THR A 42 13.154 -20.976 -39.444 1.00 0.00 O ATOM 636 CB THR A 42 12.992 -20.250 -36.495 1.00 0.00 C ATOM 637 OG1 THR A 42 12.774 -18.878 -36.813 1.00 0.00 O ATOM 638 CG2 THR A 42 14.504 -20.503 -36.639 1.00 0.00 C ATOM 0 H THR A 42 13.080 -22.936 -37.134 1.00 0.00 H new ATOM 0 HA THR A 42 10.996 -20.787 -37.037 1.00 0.00 H new ATOM 0 HB THR A 42 12.761 -20.538 -35.469 1.00 0.00 H new ATOM 0 HG1 THR A 42 13.171 -18.314 -36.117 1.00 0.00 H new ATOM 0 HG21 THR A 42 15.052 -19.807 -36.004 1.00 0.00 H new ATOM 0 HG22 THR A 42 14.732 -21.525 -36.338 1.00 0.00 H new ATOM 0 HG23 THR A 42 14.800 -20.356 -37.678 1.00 0.00 H new ATOM 646 N LYS A 43 10.918 -20.697 -39.537 1.00 0.00 N ATOM 647 CA LYS A 43 10.932 -20.269 -40.970 1.00 0.00 C ATOM 648 C LYS A 43 9.659 -19.520 -41.479 1.00 0.00 C ATOM 649 O LYS A 43 9.813 -18.415 -42.011 1.00 0.00 O ATOM 650 CB LYS A 43 11.368 -21.408 -41.948 1.00 0.00 C ATOM 651 CG LYS A 43 11.818 -20.945 -43.359 1.00 0.00 C ATOM 652 CD LYS A 43 13.123 -20.098 -43.387 1.00 0.00 C ATOM 653 CE LYS A 43 13.003 -18.682 -43.994 1.00 0.00 C ATOM 654 NZ LYS A 43 12.328 -17.719 -43.075 1.00 0.00 N ATOM 0 H LYS A 43 9.986 -20.795 -39.134 1.00 0.00 H new ATOM 0 HA LYS A 43 11.710 -19.505 -40.980 1.00 0.00 H new ATOM 0 HB2 LYS A 43 12.186 -21.963 -41.489 1.00 0.00 H new ATOM 0 HB3 LYS A 43 10.536 -22.103 -42.062 1.00 0.00 H new ATOM 0 HG2 LYS A 43 11.960 -21.825 -43.986 1.00 0.00 H new ATOM 0 HG3 LYS A 43 11.014 -20.361 -43.807 1.00 0.00 H new ATOM 0 HD2 LYS A 43 13.492 -20.003 -42.366 1.00 0.00 H new ATOM 0 HD3 LYS A 43 13.877 -20.649 -43.949 1.00 0.00 H new ATOM 0 HE2 LYS A 43 13.998 -18.310 -44.237 1.00 0.00 H new ATOM 0 HE3 LYS A 43 12.446 -18.738 -44.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 12.167 -16.820 -43.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 11.416 -18.113 -42.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 12.930 -17.552 -42.244 1.00 0.00 H new ATOM 668 N MET A 44 8.459 -20.134 -41.447 1.00 0.00 N ATOM 669 CA MET A 44 7.273 -19.625 -42.201 1.00 0.00 C ATOM 670 C MET A 44 6.407 -18.639 -41.350 1.00 0.00 C ATOM 671 O MET A 44 6.589 -17.425 -41.473 1.00 0.00 O ATOM 672 CB MET A 44 6.551 -20.854 -42.828 1.00 0.00 C ATOM 673 CG MET A 44 5.405 -20.502 -43.796 1.00 0.00 C ATOM 674 SD MET A 44 4.686 -22.018 -44.457 1.00 0.00 S ATOM 675 CE MET A 44 3.369 -21.314 -45.463 1.00 0.00 C ATOM 0 H MET A 44 8.276 -20.982 -40.911 1.00 0.00 H new ATOM 0 HA MET A 44 7.561 -18.982 -43.033 1.00 0.00 H new ATOM 0 HB2 MET A 44 7.286 -21.457 -43.361 1.00 0.00 H new ATOM 0 HB3 MET A 44 6.152 -21.473 -42.024 1.00 0.00 H new ATOM 0 HG2 MET A 44 4.642 -19.922 -43.277 1.00 0.00 H new ATOM 0 HG3 MET A 44 5.780 -19.880 -44.609 1.00 0.00 H new ATOM 0 HE1 MET A 44 2.815 -22.116 -45.951 1.00 0.00 H new ATOM 0 HE2 MET A 44 2.693 -20.740 -44.828 1.00 0.00 H new ATOM 0 HE3 MET A 44 3.800 -20.659 -46.220 1.00 0.00 H new ATOM 685 N HIS A 45 5.477 -19.128 -40.506 1.00 0.00 N ATOM 686 CA HIS A 45 4.772 -18.287 -39.497 1.00 0.00 C ATOM 687 C HIS A 45 4.947 -18.962 -38.106 1.00 0.00 C ATOM 688 O HIS A 45 4.155 -19.822 -37.707 1.00 0.00 O ATOM 689 CB HIS A 45 3.271 -18.074 -39.859 1.00 0.00 C ATOM 690 CG HIS A 45 2.914 -17.026 -40.919 1.00 0.00 C ATOM 691 ND1 HIS A 45 3.766 -16.511 -41.875 1.00 0.00 N ATOM 692 CD2 HIS A 45 1.639 -16.452 -41.077 1.00 0.00 C ATOM 693 CE1 HIS A 45 2.919 -15.673 -42.545 1.00 0.00 C ATOM 694 NE2 HIS A 45 1.616 -15.547 -42.133 1.00 0.00 N ATOM 0 H HIS A 45 5.190 -20.107 -40.497 1.00 0.00 H new ATOM 0 HA HIS A 45 5.210 -17.289 -39.479 1.00 0.00 H new ATOM 0 HB2 HIS A 45 2.872 -19.032 -40.193 1.00 0.00 H new ATOM 0 HB3 HIS A 45 2.743 -17.811 -38.942 1.00 0.00 H new ATOM 0 HD1 HIS A 45 4.755 -16.703 -42.037 1.00 0.00 H new ATOM 0 HD2 HIS A 45 0.786 -16.685 -40.457 1.00 0.00 H new ATOM 0 HE1 HIS A 45 3.274 -15.112 -43.396 1.00 0.00 H new ATOM 702 N GLY A 46 6.014 -18.585 -37.390 1.00 0.00 N ATOM 703 CA GLY A 46 6.472 -19.353 -36.209 1.00 0.00 C ATOM 704 C GLY A 46 8.001 -19.330 -36.078 1.00 0.00 C ATOM 705 O GLY A 46 8.700 -19.865 -36.943 1.00 0.00 O ATOM 0 H GLY A 46 6.577 -17.761 -37.600 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.023 -18.937 -35.307 1.00 0.00 H new ATOM 0 HA3 GLY A 46 6.129 -20.384 -36.290 1.00 0.00 H new ATOM 709 N ASP A 47 8.497 -18.725 -34.992 1.00 0.00 N ATOM 710 CA ASP A 47 9.939 -18.742 -34.637 1.00 0.00 C ATOM 711 C ASP A 47 10.209 -19.867 -33.580 1.00 0.00 C ATOM 712 O ASP A 47 10.818 -20.890 -33.904 1.00 0.00 O ATOM 713 CB ASP A 47 10.331 -17.283 -34.248 1.00 0.00 C ATOM 714 CG ASP A 47 11.823 -16.948 -34.211 1.00 0.00 C ATOM 715 OD1 ASP A 47 12.643 -17.688 -34.793 1.00 0.00 O ATOM 716 OD2 ASP A 47 12.181 -15.899 -33.632 1.00 0.00 O ATOM 0 H ASP A 47 7.919 -18.208 -34.329 1.00 0.00 H new ATOM 0 HA ASP A 47 10.597 -19.017 -35.461 1.00 0.00 H new ATOM 0 HB2 ASP A 47 9.849 -16.604 -34.952 1.00 0.00 H new ATOM 0 HB3 ASP A 47 9.912 -17.071 -33.264 1.00 0.00 H new ATOM 721 N TYR A 48 9.706 -19.711 -32.340 1.00 0.00 N ATOM 722 CA TYR A 48 9.995 -20.654 -31.221 1.00 0.00 C ATOM 723 C TYR A 48 8.926 -21.789 -31.063 1.00 0.00 C ATOM 724 O TYR A 48 7.819 -21.776 -31.621 1.00 0.00 O ATOM 725 CB TYR A 48 10.220 -19.877 -29.887 1.00 0.00 C ATOM 726 CG TYR A 48 11.188 -18.680 -29.937 1.00 0.00 C ATOM 727 CD1 TYR A 48 12.521 -18.875 -30.320 1.00 0.00 C ATOM 728 CD2 TYR A 48 10.672 -17.383 -29.877 1.00 0.00 C ATOM 729 CE1 TYR A 48 13.287 -17.794 -30.747 1.00 0.00 C ATOM 730 CE2 TYR A 48 11.443 -16.305 -30.301 1.00 0.00 C ATOM 731 CZ TYR A 48 12.738 -16.516 -30.761 1.00 0.00 C ATOM 732 OH TYR A 48 13.319 -15.549 -31.535 1.00 0.00 O ATOM 0 H TYR A 48 9.093 -18.939 -32.078 1.00 0.00 H new ATOM 0 HA TYR A 48 10.921 -21.168 -31.481 1.00 0.00 H new ATOM 0 HB2 TYR A 48 9.253 -19.518 -29.536 1.00 0.00 H new ATOM 0 HB3 TYR A 48 10.589 -20.581 -29.141 1.00 0.00 H new ATOM 0 HD1 TYR A 48 12.954 -19.864 -30.284 1.00 0.00 H new ATOM 0 HD2 TYR A 48 9.673 -17.217 -29.501 1.00 0.00 H new ATOM 0 HE1 TYR A 48 14.307 -17.947 -31.067 1.00 0.00 H new ATOM 0 HE2 TYR A 48 11.036 -15.305 -30.273 1.00 0.00 H new ATOM 0 HH TYR A 48 13.209 -15.778 -32.482 1.00 0.00 H new ATOM 742 N THR A 49 9.298 -22.816 -30.289 1.00 0.00 N ATOM 743 CA THR A 49 8.868 -24.203 -30.558 1.00 0.00 C ATOM 744 C THR A 49 8.222 -24.802 -29.282 1.00 0.00 C ATOM 745 O THR A 49 8.944 -25.326 -28.421 1.00 0.00 O ATOM 746 CB THR A 49 10.113 -25.006 -31.036 1.00 0.00 C ATOM 747 OG1 THR A 49 10.775 -24.366 -32.119 1.00 0.00 O ATOM 748 CG2 THR A 49 9.801 -26.413 -31.534 1.00 0.00 C ATOM 0 H THR A 49 9.897 -22.717 -29.469 1.00 0.00 H new ATOM 0 HA THR A 49 8.111 -24.245 -31.341 1.00 0.00 H new ATOM 0 HB THR A 49 10.731 -25.056 -30.140 1.00 0.00 H new ATOM 0 HG1 THR A 49 11.657 -24.774 -32.250 1.00 0.00 H new ATOM 0 HG21 THR A 49 10.724 -26.901 -31.847 1.00 0.00 H new ATOM 0 HG22 THR A 49 9.340 -26.989 -30.732 1.00 0.00 H new ATOM 0 HG23 THR A 49 9.116 -26.356 -32.380 1.00 0.00 H new ATOM 756 N LEU A 50 6.876 -24.783 -29.156 1.00 0.00 N ATOM 757 CA LEU A 50 6.166 -25.327 -27.962 1.00 0.00 C ATOM 758 C LEU A 50 6.200 -26.891 -27.934 1.00 0.00 C ATOM 759 O LEU A 50 5.271 -27.611 -28.301 1.00 0.00 O ATOM 760 CB LEU A 50 4.778 -24.636 -27.875 1.00 0.00 C ATOM 761 CG LEU A 50 3.843 -25.064 -26.703 1.00 0.00 C ATOM 762 CD1 LEU A 50 3.356 -23.865 -25.866 1.00 0.00 C ATOM 763 CD2 LEU A 50 2.602 -25.818 -27.211 1.00 0.00 C ATOM 0 H LEU A 50 6.253 -24.397 -29.865 1.00 0.00 H new ATOM 0 HA LEU A 50 6.675 -25.083 -27.029 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.940 -23.560 -27.803 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.251 -24.817 -28.812 1.00 0.00 H new ATOM 0 HG LEU A 50 4.451 -25.717 -26.077 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.709 -24.220 -25.064 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.214 -23.348 -25.437 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.800 -23.178 -26.504 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.975 -26.099 -26.365 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.035 -25.174 -27.884 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.915 -26.715 -27.745 1.00 0.00 H new ATOM 775 N THR A 51 7.359 -27.379 -27.476 1.00 0.00 N ATOM 776 CA THR A 51 7.689 -28.819 -27.379 1.00 0.00 C ATOM 777 C THR A 51 6.868 -29.507 -26.260 1.00 0.00 C ATOM 778 O THR A 51 6.961 -29.151 -25.084 1.00 0.00 O ATOM 779 CB THR A 51 9.227 -28.919 -27.232 1.00 0.00 C ATOM 780 OG1 THR A 51 9.845 -28.474 -28.443 1.00 0.00 O ATOM 781 CG2 THR A 51 9.750 -30.332 -26.974 1.00 0.00 C ATOM 0 H THR A 51 8.115 -26.776 -27.153 1.00 0.00 H new ATOM 0 HA THR A 51 7.403 -29.371 -28.274 1.00 0.00 H new ATOM 0 HB THR A 51 9.473 -28.304 -26.366 1.00 0.00 H new ATOM 0 HG1 THR A 51 9.604 -27.539 -28.609 1.00 0.00 H new ATOM 0 HG21 THR A 51 10.836 -30.307 -26.885 1.00 0.00 H new ATOM 0 HG22 THR A 51 9.318 -30.717 -26.050 1.00 0.00 H new ATOM 0 HG23 THR A 51 9.469 -30.981 -27.803 1.00 0.00 H new ATOM 789 N LEU A 52 6.054 -30.471 -26.696 1.00 0.00 N ATOM 790 CA LEU A 52 4.987 -31.085 -25.882 1.00 0.00 C ATOM 791 C LEU A 52 5.243 -32.611 -25.775 1.00 0.00 C ATOM 792 O LEU A 52 5.446 -33.301 -26.783 1.00 0.00 O ATOM 793 CB LEU A 52 3.654 -30.722 -26.601 1.00 0.00 C ATOM 794 CG LEU A 52 2.298 -31.215 -26.022 1.00 0.00 C ATOM 795 CD1 LEU A 52 2.161 -30.997 -24.515 1.00 0.00 C ATOM 796 CD2 LEU A 52 1.161 -30.551 -26.816 1.00 0.00 C ATOM 0 H LEU A 52 6.114 -30.857 -27.638 1.00 0.00 H new ATOM 0 HA LEU A 52 4.952 -30.721 -24.855 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.604 -29.635 -26.662 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.725 -31.095 -27.623 1.00 0.00 H new ATOM 0 HG LEU A 52 2.246 -32.297 -26.140 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.191 -31.365 -24.181 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.952 -31.538 -23.996 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.242 -29.933 -24.292 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.200 -30.885 -26.424 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.235 -29.468 -26.721 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.241 -30.829 -27.867 1.00 0.00 H new ATOM 808 N ARG A 53 5.205 -33.155 -24.546 1.00 0.00 N ATOM 809 CA ARG A 53 5.346 -34.619 -24.334 1.00 0.00 C ATOM 810 C ARG A 53 4.141 -35.435 -24.925 1.00 0.00 C ATOM 811 O ARG A 53 2.976 -35.082 -24.723 1.00 0.00 O ATOM 812 CB ARG A 53 5.594 -34.914 -22.831 1.00 0.00 C ATOM 813 CG ARG A 53 6.344 -36.244 -22.558 1.00 0.00 C ATOM 814 CD ARG A 53 7.870 -36.087 -22.516 1.00 0.00 C ATOM 815 NE ARG A 53 8.622 -37.365 -22.394 1.00 0.00 N ATOM 816 CZ ARG A 53 9.329 -37.773 -21.340 1.00 0.00 C ATOM 817 NH1 ARG A 53 9.305 -37.192 -20.179 1.00 0.00 N ATOM 818 NH2 ARG A 53 10.067 -38.834 -21.461 1.00 0.00 N ATOM 0 H ARG A 53 5.080 -32.616 -23.689 1.00 0.00 H new ATOM 0 HA ARG A 53 6.218 -34.961 -24.892 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.167 -34.092 -22.401 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.635 -34.939 -22.314 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.003 -36.656 -21.609 1.00 0.00 H new ATOM 0 HG3 ARG A 53 6.082 -36.966 -23.332 1.00 0.00 H new ATOM 0 HD2 ARG A 53 8.194 -35.575 -23.422 1.00 0.00 H new ATOM 0 HD3 ARG A 53 8.133 -35.445 -21.676 1.00 0.00 H new ATOM 0 HE ARG A 53 8.594 -37.992 -23.198 1.00 0.00 H new ATOM 0 HH11 ARG A 53 8.719 -36.370 -20.032 1.00 0.00 H new ATOM 0 HH12 ARG A 53 9.872 -37.557 -19.414 1.00 0.00 H new ATOM 0 HH21 ARG A 53 10.097 -39.336 -22.348 1.00 0.00 H new ATOM 0 HH22 ARG A 53 10.617 -39.166 -20.669 1.00 0.00 H new ATOM 832 N LYS A 54 4.431 -36.499 -25.690 1.00 0.00 N ATOM 833 CA LYS A 54 3.384 -37.381 -26.284 1.00 0.00 C ATOM 834 C LYS A 54 3.835 -38.861 -26.142 1.00 0.00 C ATOM 835 O LYS A 54 4.787 -39.286 -26.808 1.00 0.00 O ATOM 836 CB LYS A 54 3.190 -37.050 -27.795 1.00 0.00 C ATOM 837 CG LYS A 54 2.402 -35.767 -28.154 1.00 0.00 C ATOM 838 CD LYS A 54 0.952 -36.015 -28.654 1.00 0.00 C ATOM 839 CE LYS A 54 -0.082 -36.170 -27.519 1.00 0.00 C ATOM 840 NZ LYS A 54 -1.282 -36.969 -27.914 1.00 0.00 N ATOM 0 H LYS A 54 5.384 -36.780 -25.919 1.00 0.00 H new ATOM 0 HA LYS A 54 2.441 -37.219 -25.762 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.177 -36.977 -28.252 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.685 -37.896 -28.262 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.364 -35.123 -27.276 1.00 0.00 H new ATOM 0 HG3 LYS A 54 2.950 -35.224 -28.924 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.652 -35.186 -29.295 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.939 -36.914 -29.270 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.397 -36.647 -26.664 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -0.404 -35.181 -27.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.091 -36.332 -28.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -1.082 -37.482 -28.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -1.509 -37.650 -27.161 1.00 0.00 H new ATOM 854 N GLY A 55 3.162 -39.641 -25.276 1.00 0.00 N ATOM 855 CA GLY A 55 3.526 -41.072 -25.034 1.00 0.00 C ATOM 856 C GLY A 55 4.990 -41.411 -24.655 1.00 0.00 C ATOM 857 O GLY A 55 5.527 -42.418 -25.120 1.00 0.00 O ATOM 0 H GLY A 55 2.365 -39.317 -24.728 1.00 0.00 H new ATOM 0 HA2 GLY A 55 2.883 -41.447 -24.238 1.00 0.00 H new ATOM 0 HA3 GLY A 55 3.279 -41.633 -25.935 1.00 0.00 H new ATOM 861 N GLY A 56 5.627 -40.555 -23.845 1.00 0.00 N ATOM 862 CA GLY A 56 7.079 -40.651 -23.562 1.00 0.00 C ATOM 863 C GLY A 56 8.080 -39.800 -24.385 1.00 0.00 C ATOM 864 O GLY A 56 9.257 -39.869 -24.020 1.00 0.00 O ATOM 0 H GLY A 56 5.163 -39.782 -23.368 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.223 -40.398 -22.512 1.00 0.00 H new ATOM 0 HA3 GLY A 56 7.365 -41.696 -23.681 1.00 0.00 H new ATOM 868 N ASN A 57 7.720 -38.961 -25.389 1.00 0.00 N ATOM 869 CA ASN A 57 8.740 -38.254 -26.233 1.00 0.00 C ATOM 870 C ASN A 57 8.481 -36.717 -26.381 1.00 0.00 C ATOM 871 O ASN A 57 7.335 -36.265 -26.446 1.00 0.00 O ATOM 872 CB ASN A 57 8.813 -39.001 -27.597 1.00 0.00 C ATOM 873 CG ASN A 57 10.023 -38.668 -28.486 1.00 0.00 C ATOM 874 OD1 ASN A 57 10.980 -38.005 -28.096 1.00 0.00 O ATOM 875 ND2 ASN A 57 10.024 -39.132 -29.710 1.00 0.00 N ATOM 0 H ASN A 57 6.753 -38.754 -25.638 1.00 0.00 H new ATOM 0 HA ASN A 57 9.710 -38.291 -25.737 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.816 -40.073 -27.401 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.904 -38.781 -28.158 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.814 -38.941 -30.327 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.235 -39.684 -30.047 1.00 0.00 H new ATOM 882 N ASN A 58 9.575 -35.930 -26.469 1.00 0.00 N ATOM 883 CA ASN A 58 9.522 -34.452 -26.668 1.00 0.00 C ATOM 884 C ASN A 58 9.174 -34.036 -28.131 1.00 0.00 C ATOM 885 O ASN A 58 10.060 -33.878 -28.979 1.00 0.00 O ATOM 886 CB ASN A 58 10.832 -33.770 -26.157 1.00 0.00 C ATOM 887 CG ASN A 58 12.197 -34.147 -26.765 1.00 0.00 C ATOM 888 OD1 ASN A 58 12.748 -33.452 -27.615 1.00 0.00 O ATOM 889 ND2 ASN A 58 12.815 -35.213 -26.318 1.00 0.00 N ATOM 0 H ASN A 58 10.525 -36.295 -26.405 1.00 0.00 H new ATOM 0 HA ASN A 58 8.694 -34.086 -26.061 1.00 0.00 H new ATOM 0 HB2 ASN A 58 10.707 -32.695 -26.287 1.00 0.00 H new ATOM 0 HB3 ASN A 58 10.895 -33.956 -25.085 1.00 0.00 H new ATOM 0 HD21 ASN A 58 13.739 -35.454 -26.676 1.00 0.00 H new ATOM 0 HD22 ASN A 58 12.372 -35.801 -25.612 1.00 0.00 H new ATOM 896 N LYS A 59 7.879 -33.826 -28.423 1.00 0.00 N ATOM 897 CA LYS A 59 7.434 -33.433 -29.773 1.00 0.00 C ATOM 898 C LYS A 59 7.263 -31.887 -29.894 1.00 0.00 C ATOM 899 O LYS A 59 6.353 -31.275 -29.333 1.00 0.00 O ATOM 900 CB LYS A 59 6.171 -34.231 -30.161 1.00 0.00 C ATOM 901 CG LYS A 59 5.891 -34.022 -31.671 1.00 0.00 C ATOM 902 CD LYS A 59 4.645 -34.692 -32.237 1.00 0.00 C ATOM 903 CE LYS A 59 4.770 -36.223 -32.336 1.00 0.00 C ATOM 904 NZ LYS A 59 3.590 -36.789 -33.044 1.00 0.00 N ATOM 0 H LYS A 59 7.123 -33.921 -27.745 1.00 0.00 H new ATOM 0 HA LYS A 59 8.207 -33.689 -30.497 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.314 -35.290 -29.947 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.318 -33.898 -29.570 1.00 0.00 H new ATOM 0 HG2 LYS A 59 5.815 -32.951 -31.858 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.754 -34.383 -32.230 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.790 -34.444 -31.608 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.441 -34.286 -33.228 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.684 -36.487 -32.868 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.846 -36.654 -31.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.685 -37.823 -33.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.724 -36.551 -32.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.536 -36.389 -34.002 1.00 0.00 H new ATOM 918 N SER A 60 8.113 -31.300 -30.734 1.00 0.00 N ATOM 919 CA SER A 60 8.021 -29.887 -31.185 1.00 0.00 C ATOM 920 C SER A 60 6.724 -29.470 -31.956 1.00 0.00 C ATOM 921 O SER A 60 6.598 -29.612 -33.176 1.00 0.00 O ATOM 922 CB SER A 60 9.302 -29.680 -32.004 1.00 0.00 C ATOM 923 OG SER A 60 10.438 -29.551 -31.142 1.00 0.00 O ATOM 0 H SER A 60 8.909 -31.794 -31.138 1.00 0.00 H new ATOM 0 HA SER A 60 7.939 -29.229 -30.320 1.00 0.00 H new ATOM 0 HB2 SER A 60 9.447 -30.522 -32.681 1.00 0.00 H new ATOM 0 HB3 SER A 60 9.205 -28.787 -32.622 1.00 0.00 H new ATOM 0 HG SER A 60 10.153 -29.189 -30.277 1.00 0.00 H new ATOM 929 N ILE A 61 5.784 -28.887 -31.202 1.00 0.00 N ATOM 930 CA ILE A 61 4.477 -28.386 -31.726 1.00 0.00 C ATOM 931 C ILE A 61 4.544 -26.819 -31.760 1.00 0.00 C ATOM 932 O ILE A 61 3.976 -26.117 -30.920 1.00 0.00 O ATOM 933 CB ILE A 61 3.368 -29.054 -30.823 1.00 0.00 C ATOM 934 CG1 ILE A 61 3.276 -30.608 -30.938 1.00 0.00 C ATOM 935 CG2 ILE A 61 1.947 -28.471 -30.958 1.00 0.00 C ATOM 936 CD1 ILE A 61 2.876 -31.181 -32.311 1.00 0.00 C ATOM 0 H ILE A 61 5.896 -28.741 -30.199 1.00 0.00 H new ATOM 0 HA ILE A 61 4.233 -28.660 -32.752 1.00 0.00 H new ATOM 0 HB ILE A 61 3.743 -28.792 -29.834 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.244 -31.027 -30.664 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.556 -30.961 -30.200 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.270 -29.006 -30.292 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.960 -27.415 -30.690 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.605 -28.580 -31.987 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.849 -32.269 -32.257 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.891 -30.806 -32.589 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.605 -30.873 -33.060 1.00 0.00 H new ATOM 948 N LYS A 62 5.275 -26.274 -32.755 1.00 0.00 N ATOM 949 CA LYS A 62 5.684 -24.837 -32.781 1.00 0.00 C ATOM 950 C LYS A 62 4.551 -23.765 -32.790 1.00 0.00 C ATOM 951 O LYS A 62 3.481 -24.007 -33.349 1.00 0.00 O ATOM 952 CB LYS A 62 6.744 -24.586 -33.899 1.00 0.00 C ATOM 953 CG LYS A 62 6.242 -24.472 -35.363 1.00 0.00 C ATOM 954 CD LYS A 62 6.045 -25.837 -36.060 1.00 0.00 C ATOM 955 CE LYS A 62 5.248 -25.709 -37.365 1.00 0.00 C ATOM 956 NZ LYS A 62 5.208 -27.019 -38.069 1.00 0.00 N ATOM 0 H LYS A 62 5.601 -26.806 -33.562 1.00 0.00 H new ATOM 0 HA LYS A 62 6.131 -24.679 -31.800 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.276 -23.666 -33.655 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.472 -25.396 -33.857 1.00 0.00 H new ATOM 0 HG2 LYS A 62 5.297 -23.929 -35.372 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.955 -23.880 -35.937 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.018 -26.279 -36.272 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.526 -26.517 -35.384 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.234 -25.372 -37.150 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.705 -24.956 -38.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.666 -26.922 -38.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 6.177 -27.324 -38.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.752 -27.727 -37.459 1.00 0.00 H new ATOM 970 N ILE A 63 4.815 -22.582 -32.197 1.00 0.00 N ATOM 971 CA ILE A 63 3.810 -21.476 -32.101 1.00 0.00 C ATOM 972 C ILE A 63 3.559 -20.802 -33.494 1.00 0.00 C ATOM 973 O ILE A 63 4.473 -20.616 -34.299 1.00 0.00 O ATOM 974 CB ILE A 63 4.285 -20.394 -31.067 1.00 0.00 C ATOM 975 CG1 ILE A 63 4.665 -20.898 -29.648 1.00 0.00 C ATOM 976 CG2 ILE A 63 3.365 -19.149 -30.898 1.00 0.00 C ATOM 977 CD1 ILE A 63 3.460 -21.344 -28.816 1.00 0.00 C ATOM 0 H ILE A 63 5.715 -22.357 -31.773 1.00 0.00 H new ATOM 0 HA ILE A 63 2.872 -21.915 -31.762 1.00 0.00 H new ATOM 0 HB ILE A 63 5.199 -20.092 -31.579 1.00 0.00 H new ATOM 0 HG12 ILE A 63 5.361 -21.732 -29.741 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.189 -20.103 -29.117 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.797 -18.475 -30.159 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.275 -18.631 -31.853 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.378 -19.469 -30.564 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.799 -21.684 -27.837 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.774 -20.506 -28.692 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.948 -22.160 -29.326 1.00 0.00 H new ATOM 989 N PHE A 64 2.334 -20.301 -33.692 1.00 0.00 N ATOM 990 CA PHE A 64 2.000 -19.330 -34.763 1.00 0.00 C ATOM 991 C PHE A 64 2.319 -17.875 -34.287 1.00 0.00 C ATOM 992 O PHE A 64 1.440 -17.078 -33.958 1.00 0.00 O ATOM 993 CB PHE A 64 0.505 -19.584 -35.114 1.00 0.00 C ATOM 994 CG PHE A 64 0.025 -19.155 -36.510 1.00 0.00 C ATOM 995 CD1 PHE A 64 0.586 -19.723 -37.661 1.00 0.00 C ATOM 996 CD2 PHE A 64 -1.071 -18.297 -36.641 1.00 0.00 C ATOM 997 CE1 PHE A 64 0.072 -19.417 -38.920 1.00 0.00 C ATOM 998 CE2 PHE A 64 -1.580 -17.986 -37.899 1.00 0.00 C ATOM 999 CZ PHE A 64 -1.008 -18.546 -39.038 1.00 0.00 C ATOM 0 H PHE A 64 1.534 -20.555 -33.113 1.00 0.00 H new ATOM 0 HA PHE A 64 2.599 -19.457 -35.665 1.00 0.00 H new ATOM 0 HB2 PHE A 64 0.309 -20.651 -35.003 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -0.107 -19.069 -34.374 1.00 0.00 H new ATOM 0 HD1 PHE A 64 1.421 -20.402 -37.572 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -1.527 -17.872 -35.759 1.00 0.00 H new ATOM 0 HE1 PHE A 64 0.511 -19.855 -39.804 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -2.418 -17.311 -37.991 1.00 0.00 H new ATOM 0 HZ PHE A 64 -1.402 -18.305 -40.014 1.00 0.00 H new ATOM 1009 N HIS A 65 3.620 -17.552 -34.227 1.00 0.00 N ATOM 1010 CA HIS A 65 4.099 -16.146 -34.019 1.00 0.00 C ATOM 1011 C HIS A 65 3.824 -15.172 -35.215 1.00 0.00 C ATOM 1012 O HIS A 65 3.669 -13.964 -35.004 1.00 0.00 O ATOM 1013 CB HIS A 65 5.633 -16.129 -33.729 1.00 0.00 C ATOM 1014 CG HIS A 65 6.155 -16.757 -32.438 1.00 0.00 C ATOM 1015 ND1 HIS A 65 6.593 -18.058 -32.354 1.00 0.00 N ATOM 1016 CD2 HIS A 65 6.444 -16.087 -31.233 1.00 0.00 C ATOM 1017 CE1 HIS A 65 7.048 -18.076 -31.064 1.00 0.00 C ATOM 1018 NE2 HIS A 65 7.022 -16.941 -30.304 1.00 0.00 N ATOM 0 H HIS A 65 4.372 -18.235 -34.318 1.00 0.00 H new ATOM 0 HA HIS A 65 3.520 -15.784 -33.169 1.00 0.00 H new ATOM 0 HB2 HIS A 65 6.130 -16.629 -34.561 1.00 0.00 H new ATOM 0 HB3 HIS A 65 5.958 -15.089 -33.742 1.00 0.00 H new ATOM 0 HD1 HIS A 65 6.582 -18.799 -33.055 1.00 0.00 H new ATOM 0 HD2 HIS A 65 6.241 -15.041 -31.055 1.00 0.00 H new ATOM 0 HE1 HIS A 65 7.431 -18.994 -30.643 1.00 0.00 H new ATOM 1026 N ARG A 66 3.878 -15.686 -36.461 1.00 0.00 N ATOM 1027 CA ARG A 66 4.080 -14.891 -37.694 1.00 0.00 C ATOM 1028 C ARG A 66 5.432 -14.093 -37.685 1.00 0.00 C ATOM 1029 O ARG A 66 6.470 -14.603 -38.109 1.00 0.00 O ATOM 1030 CB ARG A 66 2.772 -14.153 -38.133 1.00 0.00 C ATOM 1031 CG ARG A 66 2.942 -13.300 -39.415 1.00 0.00 C ATOM 1032 CD ARG A 66 1.802 -12.312 -39.757 1.00 0.00 C ATOM 1033 NE ARG A 66 2.410 -11.036 -40.232 1.00 0.00 N ATOM 1034 CZ ARG A 66 2.795 -10.794 -41.479 1.00 0.00 C ATOM 1035 NH1 ARG A 66 2.167 -11.268 -42.524 1.00 0.00 N ATOM 1036 NH2 ARG A 66 3.847 -10.049 -41.659 1.00 0.00 N ATOM 0 H ARG A 66 3.781 -16.685 -36.644 1.00 0.00 H new ATOM 0 HA ARG A 66 4.248 -15.561 -38.537 1.00 0.00 H new ATOM 0 HB2 ARG A 66 1.987 -14.891 -38.299 1.00 0.00 H new ATOM 0 HB3 ARG A 66 2.438 -13.509 -37.320 1.00 0.00 H new ATOM 0 HG2 ARG A 66 3.867 -12.731 -39.323 1.00 0.00 H new ATOM 0 HG3 ARG A 66 3.067 -13.978 -40.259 1.00 0.00 H new ATOM 0 HD2 ARG A 66 1.154 -12.732 -40.526 1.00 0.00 H new ATOM 0 HD3 ARG A 66 1.180 -12.132 -38.880 1.00 0.00 H new ATOM 0 HE ARG A 66 2.540 -10.292 -39.546 1.00 0.00 H new ATOM 0 HH11 ARG A 66 1.341 -11.853 -42.400 1.00 0.00 H new ATOM 0 HH12 ARG A 66 2.504 -11.052 -43.462 1.00 0.00 H new ATOM 0 HH21 ARG A 66 4.348 -9.671 -40.855 1.00 0.00 H new ATOM 0 HH22 ARG A 66 4.170 -9.843 -42.604 1.00 0.00 H new ATOM 1050 N ASP A 67 5.374 -12.851 -37.190 1.00 0.00 N ATOM 1051 CA ASP A 67 6.524 -11.924 -37.064 1.00 0.00 C ATOM 1052 C ASP A 67 7.282 -12.020 -35.684 1.00 0.00 C ATOM 1053 O ASP A 67 8.432 -11.591 -35.575 1.00 0.00 O ATOM 1054 CB ASP A 67 5.941 -10.487 -37.210 1.00 0.00 C ATOM 1055 CG ASP A 67 5.101 -10.124 -38.443 1.00 0.00 C ATOM 1056 OD1 ASP A 67 5.601 -10.088 -39.583 1.00 0.00 O ATOM 1057 OD2 ASP A 67 3.882 -9.895 -38.272 1.00 0.00 O ATOM 0 H ASP A 67 4.502 -12.443 -36.853 1.00 0.00 H new ATOM 0 HA ASP A 67 7.258 -12.183 -37.827 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.327 -10.295 -36.330 1.00 0.00 H new ATOM 0 HB3 ASP A 67 6.779 -9.791 -37.172 1.00 0.00 H new ATOM 1062 N GLY A 68 6.598 -12.495 -34.624 1.00 0.00 N ATOM 1063 CA GLY A 68 7.054 -12.387 -33.214 1.00 0.00 C ATOM 1064 C GLY A 68 5.966 -12.385 -32.101 1.00 0.00 C ATOM 1065 O GLY A 68 6.336 -12.395 -30.928 1.00 0.00 O ATOM 0 H GLY A 68 5.701 -12.971 -34.719 1.00 0.00 H new ATOM 0 HA2 GLY A 68 7.734 -13.216 -33.017 1.00 0.00 H new ATOM 0 HA3 GLY A 68 7.634 -11.469 -33.118 1.00 0.00 H new ATOM 1069 N LYS A 69 4.657 -12.366 -32.428 1.00 0.00 N ATOM 1070 CA LYS A 69 3.552 -12.303 -31.422 1.00 0.00 C ATOM 1071 C LYS A 69 2.993 -13.706 -30.974 1.00 0.00 C ATOM 1072 O LYS A 69 3.715 -14.704 -30.969 1.00 0.00 O ATOM 1073 CB LYS A 69 2.510 -11.274 -31.952 1.00 0.00 C ATOM 1074 CG LYS A 69 1.624 -11.743 -33.137 1.00 0.00 C ATOM 1075 CD LYS A 69 1.451 -10.699 -34.245 1.00 0.00 C ATOM 1076 CE LYS A 69 2.748 -10.401 -35.014 1.00 0.00 C ATOM 1077 NZ LYS A 69 2.457 -9.467 -36.132 1.00 0.00 N ATOM 0 H LYS A 69 4.326 -12.394 -33.393 1.00 0.00 H new ATOM 0 HA LYS A 69 3.927 -11.945 -30.463 1.00 0.00 H new ATOM 0 HB2 LYS A 69 1.856 -10.992 -31.126 1.00 0.00 H new ATOM 0 HB3 LYS A 69 3.043 -10.374 -32.258 1.00 0.00 H new ATOM 0 HG2 LYS A 69 2.060 -12.644 -33.568 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.641 -12.017 -32.755 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.694 -11.048 -34.947 1.00 0.00 H new ATOM 0 HD3 LYS A 69 1.077 -9.774 -33.806 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.488 -9.964 -34.344 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.175 -11.326 -35.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 3.271 -9.436 -36.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.616 -9.795 -36.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 2.280 -8.515 -35.752 1.00 0.00 H new ATOM 1091 N TYR A 70 1.717 -13.782 -30.548 1.00 0.00 N ATOM 1092 CA TYR A 70 1.060 -15.042 -30.087 1.00 0.00 C ATOM 1093 C TYR A 70 -0.449 -14.991 -30.513 1.00 0.00 C ATOM 1094 O TYR A 70 -1.114 -13.974 -30.304 1.00 0.00 O ATOM 1095 CB TYR A 70 1.248 -15.214 -28.539 1.00 0.00 C ATOM 1096 CG TYR A 70 2.691 -15.464 -28.046 1.00 0.00 C ATOM 1097 CD1 TYR A 70 3.251 -16.729 -28.215 1.00 0.00 C ATOM 1098 CD2 TYR A 70 3.491 -14.431 -27.536 1.00 0.00 C ATOM 1099 CE1 TYR A 70 4.597 -16.952 -27.941 1.00 0.00 C ATOM 1100 CE2 TYR A 70 4.836 -14.659 -27.240 1.00 0.00 C ATOM 1101 CZ TYR A 70 5.390 -15.918 -27.458 1.00 0.00 C ATOM 1102 OH TYR A 70 6.733 -16.135 -27.296 1.00 0.00 O ATOM 0 H TYR A 70 1.100 -12.970 -30.510 1.00 0.00 H new ATOM 0 HA TYR A 70 1.519 -15.916 -30.550 1.00 0.00 H new ATOM 0 HB2 TYR A 70 0.869 -14.318 -28.047 1.00 0.00 H new ATOM 0 HB3 TYR A 70 0.625 -16.046 -28.210 1.00 0.00 H new ATOM 0 HD1 TYR A 70 2.634 -17.545 -28.562 1.00 0.00 H new ATOM 0 HD2 TYR A 70 3.064 -13.453 -27.371 1.00 0.00 H new ATOM 0 HE1 TYR A 70 5.026 -17.930 -28.104 1.00 0.00 H new ATOM 0 HE2 TYR A 70 5.446 -13.861 -26.843 1.00 0.00 H new ATOM 0 HH TYR A 70 7.126 -16.408 -28.151 1.00 0.00 H new ATOM 1112 N GLY A 71 -0.992 -16.068 -31.114 1.00 0.00 N ATOM 1113 CA GLY A 71 -2.415 -16.148 -31.519 1.00 0.00 C ATOM 1114 C GLY A 71 -2.682 -17.352 -32.451 1.00 0.00 C ATOM 1115 O GLY A 71 -2.614 -17.215 -33.671 1.00 0.00 O ATOM 0 H GLY A 71 -0.458 -16.909 -31.334 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -3.041 -16.231 -30.631 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -2.701 -15.226 -32.026 1.00 0.00 H new ATOM 1119 N PHE A 72 -2.959 -18.527 -31.869 1.00 0.00 N ATOM 1120 CA PHE A 72 -3.203 -19.804 -32.616 1.00 0.00 C ATOM 1121 C PHE A 72 -4.727 -20.071 -32.855 1.00 0.00 C ATOM 1122 O PHE A 72 -5.205 -20.009 -33.989 1.00 0.00 O ATOM 1123 CB PHE A 72 -2.498 -20.968 -31.844 1.00 0.00 C ATOM 1124 CG PHE A 72 -1.701 -21.931 -32.721 1.00 0.00 C ATOM 1125 CD1 PHE A 72 -2.312 -22.909 -33.517 1.00 0.00 C ATOM 1126 CD2 PHE A 72 -0.316 -21.953 -32.575 1.00 0.00 C ATOM 1127 CE1 PHE A 72 -1.537 -23.828 -34.207 1.00 0.00 C ATOM 1128 CE2 PHE A 72 0.448 -22.861 -33.280 1.00 0.00 C ATOM 1129 CZ PHE A 72 -0.150 -23.776 -34.137 1.00 0.00 C ATOM 0 H PHE A 72 -3.024 -18.636 -30.857 1.00 0.00 H new ATOM 0 HA PHE A 72 -2.774 -19.729 -33.615 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -1.828 -20.537 -31.100 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -3.254 -21.535 -31.301 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -3.389 -22.947 -33.593 1.00 0.00 H new ATOM 0 HD2 PHE A 72 0.164 -21.255 -31.905 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -2.015 -24.591 -34.804 1.00 0.00 H new ATOM 0 HE2 PHE A 72 1.522 -22.860 -33.164 1.00 0.00 H new ATOM 0 HZ PHE A 72 0.454 -24.437 -34.740 1.00 0.00 H new ATOM 1139 N SER A 73 -5.494 -20.291 -31.770 1.00 0.00 N ATOM 1140 CA SER A 73 -6.957 -20.015 -31.724 1.00 0.00 C ATOM 1141 C SER A 73 -7.426 -18.545 -32.010 1.00 0.00 C ATOM 1142 O SER A 73 -8.612 -18.341 -32.280 1.00 0.00 O ATOM 1143 CB SER A 73 -7.417 -20.390 -30.290 1.00 0.00 C ATOM 1144 OG SER A 73 -8.843 -20.439 -30.227 1.00 0.00 O ATOM 0 H SER A 73 -5.124 -20.665 -30.896 1.00 0.00 H new ATOM 0 HA SER A 73 -7.398 -20.596 -32.534 1.00 0.00 H new ATOM 0 HB2 SER A 73 -7.000 -21.356 -30.007 1.00 0.00 H new ATOM 0 HB3 SER A 73 -7.039 -19.658 -29.576 1.00 0.00 H new ATOM 0 HG SER A 73 -9.221 -19.911 -30.961 1.00 0.00 H new ATOM 1150 N ASP A 74 -6.535 -17.547 -31.866 1.00 0.00 N ATOM 1151 CA ASP A 74 -6.849 -16.112 -32.046 1.00 0.00 C ATOM 1152 C ASP A 74 -6.320 -15.581 -33.439 1.00 0.00 C ATOM 1153 O ASP A 74 -5.324 -16.108 -33.954 1.00 0.00 O ATOM 1154 CB ASP A 74 -6.260 -15.451 -30.759 1.00 0.00 C ATOM 1155 CG ASP A 74 -5.745 -14.030 -30.885 1.00 0.00 C ATOM 1156 OD1 ASP A 74 -4.561 -13.882 -31.245 1.00 0.00 O ATOM 1157 OD2 ASP A 74 -6.498 -13.069 -30.634 1.00 0.00 O ATOM 0 H ASP A 74 -5.560 -17.715 -31.617 1.00 0.00 H new ATOM 0 HA ASP A 74 -7.909 -15.870 -32.120 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -7.031 -15.464 -29.989 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -5.442 -16.077 -30.402 1.00 0.00 H new ATOM 1162 N PRO A 75 -6.877 -14.493 -34.058 1.00 0.00 N ATOM 1163 CA PRO A 75 -6.244 -13.828 -35.234 1.00 0.00 C ATOM 1164 C PRO A 75 -4.960 -12.986 -34.895 1.00 0.00 C ATOM 1165 O PRO A 75 -4.951 -11.752 -34.969 1.00 0.00 O ATOM 1166 CB PRO A 75 -7.442 -13.017 -35.775 1.00 0.00 C ATOM 1167 CG PRO A 75 -8.247 -12.626 -34.532 1.00 0.00 C ATOM 1168 CD PRO A 75 -8.128 -13.843 -33.613 1.00 0.00 C ATOM 0 HA PRO A 75 -5.816 -14.515 -35.964 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -7.108 -12.136 -36.322 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -8.043 -13.611 -36.464 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -7.843 -11.730 -34.061 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -9.287 -12.414 -34.781 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -8.077 -13.550 -32.564 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -8.985 -14.509 -33.716 1.00 0.00 H new ATOM 1176 N LEU A 76 -3.864 -13.686 -34.535 1.00 0.00 N ATOM 1177 CA LEU A 76 -2.510 -13.090 -34.270 1.00 0.00 C ATOM 1178 C LEU A 76 -2.444 -11.784 -33.396 1.00 0.00 C ATOM 1179 O LEU A 76 -1.808 -10.785 -33.746 1.00 0.00 O ATOM 1180 CB LEU A 76 -1.756 -13.028 -35.630 1.00 0.00 C ATOM 1181 CG LEU A 76 -1.337 -14.392 -36.244 1.00 0.00 C ATOM 1182 CD1 LEU A 76 -0.922 -14.216 -37.711 1.00 0.00 C ATOM 1183 CD2 LEU A 76 -0.193 -15.041 -35.446 1.00 0.00 C ATOM 0 H LEU A 76 -3.881 -14.699 -34.415 1.00 0.00 H new ATOM 0 HA LEU A 76 -1.987 -13.751 -33.579 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.389 -12.508 -36.349 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.860 -12.422 -35.498 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.201 -15.055 -36.195 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.632 -15.181 -38.125 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.760 -13.814 -38.280 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.079 -13.527 -37.771 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.075 -15.994 -35.903 1.00 0.00 H new ATOM 0 HD22 LEU A 76 0.674 -14.380 -35.450 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.516 -15.210 -34.419 1.00 0.00 H new ATOM 1195 N THR A 77 -3.122 -11.829 -32.242 1.00 0.00 N ATOM 1196 CA THR A 77 -3.426 -10.651 -31.376 1.00 0.00 C ATOM 1197 C THR A 77 -3.263 -10.953 -29.835 1.00 0.00 C ATOM 1198 O THR A 77 -3.031 -10.008 -29.075 1.00 0.00 O ATOM 1199 CB THR A 77 -4.850 -10.117 -31.754 1.00 0.00 C ATOM 1200 OG1 THR A 77 -4.929 -9.791 -33.144 1.00 0.00 O ATOM 1201 CG2 THR A 77 -5.284 -8.835 -31.025 1.00 0.00 C ATOM 0 H THR A 77 -3.490 -12.702 -31.863 1.00 0.00 H new ATOM 0 HA THR A 77 -2.690 -9.869 -31.565 1.00 0.00 H new ATOM 0 HB THR A 77 -5.502 -10.940 -31.461 1.00 0.00 H new ATOM 0 HG1 THR A 77 -5.054 -10.611 -33.666 1.00 0.00 H new ATOM 0 HG21 THR A 77 -6.282 -8.548 -31.356 1.00 0.00 H new ATOM 0 HG22 THR A 77 -5.296 -9.014 -29.950 1.00 0.00 H new ATOM 0 HG23 THR A 77 -4.582 -8.032 -31.251 1.00 0.00 H new ATOM 1209 N PHE A 78 -3.331 -12.218 -29.361 1.00 0.00 N ATOM 1210 CA PHE A 78 -3.156 -12.618 -27.934 1.00 0.00 C ATOM 1211 C PHE A 78 -1.866 -12.104 -27.209 1.00 0.00 C ATOM 1212 O PHE A 78 -1.955 -11.651 -26.066 1.00 0.00 O ATOM 1213 CB PHE A 78 -3.350 -14.170 -27.827 1.00 0.00 C ATOM 1214 CG PHE A 78 -4.653 -14.706 -27.182 1.00 0.00 C ATOM 1215 CD1 PHE A 78 -5.907 -14.139 -27.447 1.00 0.00 C ATOM 1216 CD2 PHE A 78 -4.591 -15.850 -26.379 1.00 0.00 C ATOM 1217 CE1 PHE A 78 -7.068 -14.705 -26.921 1.00 0.00 C ATOM 1218 CE2 PHE A 78 -5.750 -16.417 -25.853 1.00 0.00 C ATOM 1219 CZ PHE A 78 -6.987 -15.844 -26.126 1.00 0.00 C ATOM 0 H PHE A 78 -3.514 -13.014 -29.972 1.00 0.00 H new ATOM 0 HA PHE A 78 -3.929 -12.096 -27.370 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -3.283 -14.583 -28.833 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -2.510 -14.572 -27.261 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -5.975 -13.255 -28.064 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -3.633 -16.299 -26.164 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -8.029 -14.260 -27.131 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -5.688 -17.300 -25.234 1.00 0.00 H new ATOM 0 HZ PHE A 78 -7.886 -16.284 -25.720 1.00 0.00 H new ATOM 1229 N ASN A 79 -0.688 -12.151 -27.870 1.00 0.00 N ATOM 1230 CA ASN A 79 0.575 -11.496 -27.383 1.00 0.00 C ATOM 1231 C ASN A 79 1.178 -11.941 -25.993 1.00 0.00 C ATOM 1232 O ASN A 79 2.030 -11.243 -25.436 1.00 0.00 O ATOM 1233 CB ASN A 79 0.444 -9.948 -27.547 1.00 0.00 C ATOM 1234 CG ASN A 79 0.693 -9.405 -28.956 1.00 0.00 C ATOM 1235 OD1 ASN A 79 1.827 -9.235 -29.389 1.00 0.00 O ATOM 1236 ND2 ASN A 79 -0.330 -9.104 -29.714 1.00 0.00 N ATOM 0 H ASN A 79 -0.572 -12.641 -28.757 1.00 0.00 H new ATOM 0 HA ASN A 79 1.356 -11.890 -28.033 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -0.558 -9.652 -27.236 1.00 0.00 H new ATOM 0 HB3 ASN A 79 1.145 -9.468 -26.864 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -0.178 -8.733 -30.652 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -1.279 -9.240 -29.367 1.00 0.00 H new ATOM 1243 N SER A 80 0.817 -13.126 -25.472 1.00 0.00 N ATOM 1244 CA SER A 80 1.200 -13.608 -24.133 1.00 0.00 C ATOM 1245 C SER A 80 0.987 -15.143 -24.148 1.00 0.00 C ATOM 1246 O SER A 80 -0.157 -15.595 -24.181 1.00 0.00 O ATOM 1247 CB SER A 80 0.319 -12.958 -23.027 1.00 0.00 C ATOM 1248 OG SER A 80 0.757 -11.637 -22.712 1.00 0.00 O ATOM 0 H SER A 80 0.237 -13.792 -25.982 1.00 0.00 H new ATOM 0 HA SER A 80 2.234 -13.344 -23.910 1.00 0.00 H new ATOM 0 HB2 SER A 80 -0.719 -12.928 -23.359 1.00 0.00 H new ATOM 0 HB3 SER A 80 0.348 -13.575 -22.129 1.00 0.00 H new ATOM 0 HG SER A 80 1.327 -11.300 -23.435 1.00 0.00 H new ATOM 1254 N VAL A 81 2.051 -15.957 -24.030 1.00 0.00 N ATOM 1255 CA VAL A 81 1.946 -17.392 -23.585 1.00 0.00 C ATOM 1256 C VAL A 81 1.042 -17.621 -22.329 1.00 0.00 C ATOM 1257 O VAL A 81 0.151 -18.452 -22.413 1.00 0.00 O ATOM 1258 CB VAL A 81 3.343 -18.088 -23.479 1.00 0.00 C ATOM 1259 CG1 VAL A 81 3.312 -19.551 -22.980 1.00 0.00 C ATOM 1260 CG2 VAL A 81 4.057 -18.105 -24.843 1.00 0.00 C ATOM 0 H VAL A 81 3.005 -15.660 -24.234 1.00 0.00 H new ATOM 0 HA VAL A 81 1.409 -17.897 -24.388 1.00 0.00 H new ATOM 0 HB VAL A 81 3.870 -17.487 -22.739 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.328 -19.944 -22.941 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.871 -19.586 -21.984 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.715 -20.156 -23.663 1.00 0.00 H new ATOM 0 HG21 VAL A 81 5.026 -18.594 -24.741 1.00 0.00 H new ATOM 0 HG22 VAL A 81 3.449 -18.650 -25.565 1.00 0.00 H new ATOM 0 HG23 VAL A 81 4.202 -17.082 -25.190 1.00 0.00 H new ATOM 1270 N VAL A 82 1.193 -16.879 -21.220 1.00 0.00 N ATOM 1271 CA VAL A 82 0.262 -16.935 -20.047 1.00 0.00 C ATOM 1272 C VAL A 82 -1.280 -16.963 -20.358 1.00 0.00 C ATOM 1273 O VAL A 82 -1.952 -17.871 -19.863 1.00 0.00 O ATOM 1274 CB VAL A 82 0.771 -15.907 -18.969 1.00 0.00 C ATOM 1275 CG1 VAL A 82 -0.289 -15.013 -18.290 1.00 0.00 C ATOM 1276 CG2 VAL A 82 1.588 -16.617 -17.871 1.00 0.00 C ATOM 0 H VAL A 82 1.960 -16.218 -21.097 1.00 0.00 H new ATOM 0 HA VAL A 82 0.315 -17.932 -19.609 1.00 0.00 H new ATOM 0 HB VAL A 82 1.382 -15.227 -19.563 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.198 -14.354 -17.571 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -0.798 -14.414 -19.045 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.016 -15.639 -17.773 1.00 0.00 H new ATOM 0 HG21 VAL A 82 1.928 -15.884 -17.139 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.964 -17.361 -17.377 1.00 0.00 H new ATOM 0 HG23 VAL A 82 2.451 -17.108 -18.320 1.00 0.00 H new ATOM 1286 N GLU A 83 -1.827 -16.065 -21.205 1.00 0.00 N ATOM 1287 CA GLU A 83 -3.203 -16.260 -21.757 1.00 0.00 C ATOM 1288 C GLU A 83 -3.319 -17.207 -23.001 1.00 0.00 C ATOM 1289 O GLU A 83 -4.313 -17.933 -23.111 1.00 0.00 O ATOM 1290 CB GLU A 83 -3.966 -14.915 -21.880 1.00 0.00 C ATOM 1291 CG GLU A 83 -5.518 -15.048 -21.970 1.00 0.00 C ATOM 1292 CD GLU A 83 -6.199 -15.903 -20.893 1.00 0.00 C ATOM 1293 OE1 GLU A 83 -5.976 -15.661 -19.686 1.00 0.00 O ATOM 1294 OE2 GLU A 83 -6.905 -16.867 -21.257 1.00 0.00 O ATOM 0 H GLU A 83 -1.359 -15.216 -21.521 1.00 0.00 H new ATOM 0 HA GLU A 83 -3.732 -16.847 -21.006 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -3.718 -14.293 -21.020 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -3.609 -14.391 -22.766 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -5.948 -14.047 -21.933 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -5.768 -15.466 -22.945 1.00 0.00 H new ATOM 1301 N LEU A 84 -2.295 -17.332 -23.873 1.00 0.00 N ATOM 1302 CA LEU A 84 -2.232 -18.442 -24.894 1.00 0.00 C ATOM 1303 C LEU A 84 -1.839 -19.854 -24.308 1.00 0.00 C ATOM 1304 O LEU A 84 -1.055 -20.628 -24.865 1.00 0.00 O ATOM 1305 CB LEU A 84 -1.254 -17.947 -25.988 1.00 0.00 C ATOM 1306 CG LEU A 84 -1.155 -18.799 -27.288 1.00 0.00 C ATOM 1307 CD1 LEU A 84 -1.726 -18.058 -28.495 1.00 0.00 C ATOM 1308 CD2 LEU A 84 0.279 -19.277 -27.544 1.00 0.00 C ATOM 0 H LEU A 84 -1.500 -16.693 -23.904 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.226 -18.632 -25.298 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.544 -16.934 -26.268 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.259 -17.883 -25.548 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.769 -19.687 -27.137 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.638 -18.685 -29.382 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.776 -17.827 -28.316 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.172 -17.132 -28.649 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.308 -19.868 -28.459 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.937 -18.414 -27.648 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.613 -19.889 -26.706 1.00 0.00 H new ATOM 1320 N ILE A 85 -2.422 -20.184 -23.154 1.00 0.00 N ATOM 1321 CA ILE A 85 -2.066 -21.357 -22.317 1.00 0.00 C ATOM 1322 C ILE A 85 -3.175 -21.568 -21.239 1.00 0.00 C ATOM 1323 O ILE A 85 -3.701 -22.674 -21.150 1.00 0.00 O ATOM 1324 CB ILE A 85 -0.562 -21.397 -21.838 1.00 0.00 C ATOM 1325 CG1 ILE A 85 0.138 -22.740 -22.111 1.00 0.00 C ATOM 1326 CG2 ILE A 85 -0.264 -20.889 -20.409 1.00 0.00 C ATOM 1327 CD1 ILE A 85 -0.303 -23.930 -21.257 1.00 0.00 C ATOM 0 H ILE A 85 -3.180 -19.632 -22.754 1.00 0.00 H new ATOM 0 HA ILE A 85 -2.069 -22.257 -22.932 1.00 0.00 H new ATOM 0 HB ILE A 85 -0.118 -20.641 -22.485 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.016 -22.997 -23.159 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.210 -22.600 -21.972 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.804 -20.972 -20.209 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -0.570 -19.846 -20.322 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -0.816 -21.490 -19.687 1.00 0.00 H new ATOM 0 HD11 ILE A 85 0.264 -24.815 -21.546 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -0.121 -23.710 -20.205 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.366 -24.114 -21.411 1.00 0.00 H new ATOM 1339 N ASN A 86 -3.606 -20.520 -20.500 1.00 0.00 N ATOM 1340 CA ASN A 86 -4.910 -20.498 -19.757 1.00 0.00 C ATOM 1341 C ASN A 86 -6.151 -21.024 -20.573 1.00 0.00 C ATOM 1342 O ASN A 86 -6.652 -22.119 -20.309 1.00 0.00 O ATOM 1343 CB ASN A 86 -5.136 -19.035 -19.273 1.00 0.00 C ATOM 1344 CG ASN A 86 -4.373 -18.528 -18.049 1.00 0.00 C ATOM 1345 OD1 ASN A 86 -3.719 -19.257 -17.308 1.00 0.00 O ATOM 1346 ND2 ASN A 86 -4.469 -17.244 -17.794 1.00 0.00 N ATOM 0 H ASN A 86 -3.067 -19.660 -20.395 1.00 0.00 H new ATOM 0 HA ASN A 86 -4.834 -21.198 -18.925 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -4.897 -18.373 -20.106 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -6.200 -18.918 -19.068 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -4.000 -16.849 -16.979 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -5.013 -16.641 -18.411 1.00 0.00 H new ATOM 1353 N HIS A 87 -6.556 -20.277 -21.615 1.00 0.00 N ATOM 1354 CA HIS A 87 -7.527 -20.696 -22.667 1.00 0.00 C ATOM 1355 C HIS A 87 -7.318 -22.097 -23.348 1.00 0.00 C ATOM 1356 O HIS A 87 -8.293 -22.708 -23.788 1.00 0.00 O ATOM 1357 CB HIS A 87 -7.465 -19.512 -23.685 1.00 0.00 C ATOM 1358 CG HIS A 87 -8.435 -19.537 -24.865 1.00 0.00 C ATOM 1359 ND1 HIS A 87 -8.172 -20.155 -26.073 1.00 0.00 N ATOM 1360 CD2 HIS A 87 -9.669 -18.871 -24.932 1.00 0.00 C ATOM 1361 CE1 HIS A 87 -9.307 -19.828 -26.762 1.00 0.00 C ATOM 1362 NE2 HIS A 87 -10.269 -19.049 -26.171 1.00 0.00 N ATOM 0 H HIS A 87 -6.210 -19.329 -21.762 1.00 0.00 H new ATOM 0 HA HIS A 87 -8.504 -20.871 -22.217 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -7.632 -18.587 -23.133 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -6.452 -19.466 -24.085 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -10.096 -18.295 -24.124 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -9.446 -20.183 -27.772 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -11.158 -18.704 -26.533 1.00 0.00 H new ATOM 1370 N TYR A 88 -6.071 -22.580 -23.466 1.00 0.00 N ATOM 1371 CA TYR A 88 -5.732 -23.814 -24.225 1.00 0.00 C ATOM 1372 C TYR A 88 -5.662 -25.070 -23.299 1.00 0.00 C ATOM 1373 O TYR A 88 -6.210 -26.119 -23.650 1.00 0.00 O ATOM 1374 CB TYR A 88 -4.405 -23.545 -24.995 1.00 0.00 C ATOM 1375 CG TYR A 88 -4.463 -22.535 -26.160 1.00 0.00 C ATOM 1376 CD1 TYR A 88 -4.613 -21.165 -25.913 1.00 0.00 C ATOM 1377 CD2 TYR A 88 -4.343 -22.975 -27.481 1.00 0.00 C ATOM 1378 CE1 TYR A 88 -4.653 -20.256 -26.962 1.00 0.00 C ATOM 1379 CE2 TYR A 88 -4.355 -22.059 -28.532 1.00 0.00 C ATOM 1380 CZ TYR A 88 -4.483 -20.698 -28.264 1.00 0.00 C ATOM 1381 OH TYR A 88 -4.423 -19.765 -29.258 1.00 0.00 O ATOM 0 H TYR A 88 -5.261 -22.131 -23.040 1.00 0.00 H new ATOM 0 HA TYR A 88 -6.520 -24.047 -24.942 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -3.663 -23.193 -24.278 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -4.043 -24.495 -25.388 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -4.698 -20.812 -24.896 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -4.240 -24.030 -27.689 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -4.816 -19.207 -26.763 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -4.265 -22.404 -29.552 1.00 0.00 H new ATOM 0 HH TYR A 88 -4.750 -18.905 -28.920 1.00 0.00 H new ATOM 1391 N ARG A 89 -5.022 -24.977 -22.112 1.00 0.00 N ATOM 1392 CA ARG A 89 -5.024 -26.059 -21.097 1.00 0.00 C ATOM 1393 C ARG A 89 -6.364 -26.346 -20.365 1.00 0.00 C ATOM 1394 O ARG A 89 -6.624 -27.487 -19.978 1.00 0.00 O ATOM 1395 CB ARG A 89 -3.831 -25.858 -20.122 1.00 0.00 C ATOM 1396 CG ARG A 89 -3.994 -24.850 -18.946 1.00 0.00 C ATOM 1397 CD ARG A 89 -2.672 -24.317 -18.357 1.00 0.00 C ATOM 1398 NE ARG A 89 -1.809 -25.423 -17.850 1.00 0.00 N ATOM 1399 CZ ARG A 89 -1.531 -25.681 -16.575 1.00 0.00 C ATOM 1400 NH1 ARG A 89 -1.969 -24.972 -15.566 1.00 0.00 N ATOM 1401 NH2 ARG A 89 -0.781 -26.709 -16.324 1.00 0.00 N ATOM 0 H ARG A 89 -4.491 -24.153 -21.829 1.00 0.00 H new ATOM 0 HA ARG A 89 -4.896 -26.981 -21.664 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -3.585 -26.830 -19.694 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -2.970 -25.543 -20.712 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -4.587 -24.004 -19.292 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -4.561 -25.332 -18.150 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -2.133 -23.756 -19.121 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -2.889 -23.623 -17.545 1.00 0.00 H new ATOM 0 HE ARG A 89 -1.392 -26.040 -18.547 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -2.565 -24.161 -15.733 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -1.714 -25.230 -14.613 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -0.429 -27.283 -17.090 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -0.543 -26.943 -15.360 1.00 0.00 H new ATOM 1415 N ASN A 90 -7.203 -25.312 -20.196 1.00 0.00 N ATOM 1416 CA ASN A 90 -8.565 -25.452 -19.639 1.00 0.00 C ATOM 1417 C ASN A 90 -9.672 -25.711 -20.729 1.00 0.00 C ATOM 1418 O ASN A 90 -10.828 -25.316 -20.549 1.00 0.00 O ATOM 1419 CB ASN A 90 -8.733 -24.134 -18.813 1.00 0.00 C ATOM 1420 CG ASN A 90 -9.851 -24.133 -17.768 1.00 0.00 C ATOM 1421 OD1 ASN A 90 -9.657 -24.500 -16.614 1.00 0.00 O ATOM 1422 ND2 ASN A 90 -11.043 -23.716 -18.113 1.00 0.00 N ATOM 0 H ASN A 90 -6.959 -24.352 -20.441 1.00 0.00 H new ATOM 0 HA ASN A 90 -8.693 -26.339 -19.018 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -7.791 -23.923 -18.308 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -8.912 -23.314 -19.508 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -11.796 -23.699 -17.425 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -11.218 -23.408 -19.069 1.00 0.00 H new ATOM 1429 N GLU A 91 -9.334 -26.378 -21.855 1.00 0.00 N ATOM 1430 CA GLU A 91 -10.252 -26.563 -23.005 1.00 0.00 C ATOM 1431 C GLU A 91 -9.813 -27.805 -23.850 1.00 0.00 C ATOM 1432 O GLU A 91 -10.414 -28.878 -23.739 1.00 0.00 O ATOM 1433 CB GLU A 91 -10.402 -25.221 -23.797 1.00 0.00 C ATOM 1434 CG GLU A 91 -11.688 -25.071 -24.651 1.00 0.00 C ATOM 1435 CD GLU A 91 -11.781 -25.924 -25.906 1.00 0.00 C ATOM 1436 OE1 GLU A 91 -11.175 -25.550 -26.932 1.00 0.00 O ATOM 1437 OE2 GLU A 91 -12.474 -26.960 -25.876 1.00 0.00 O ATOM 0 H GLU A 91 -8.418 -26.804 -21.994 1.00 0.00 H new ATOM 0 HA GLU A 91 -11.260 -26.799 -22.666 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -10.365 -24.397 -23.085 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.539 -25.113 -24.454 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -12.545 -25.303 -24.018 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -11.782 -24.025 -24.943 1.00 0.00 H new ATOM 1444 N SER A 92 -8.763 -27.672 -24.684 1.00 0.00 N ATOM 1445 CA SER A 92 -8.445 -28.606 -25.800 1.00 0.00 C ATOM 1446 C SER A 92 -7.096 -28.166 -26.441 1.00 0.00 C ATOM 1447 O SER A 92 -6.822 -26.973 -26.613 1.00 0.00 O ATOM 1448 CB SER A 92 -9.576 -28.640 -26.865 1.00 0.00 C ATOM 1449 OG SER A 92 -9.282 -29.520 -27.952 1.00 0.00 O ATOM 0 H SER A 92 -8.097 -26.903 -24.606 1.00 0.00 H new ATOM 0 HA SER A 92 -8.360 -29.618 -25.404 1.00 0.00 H new ATOM 0 HB2 SER A 92 -10.507 -28.952 -26.391 1.00 0.00 H new ATOM 0 HB3 SER A 92 -9.737 -27.633 -27.251 1.00 0.00 H new ATOM 0 HG SER A 92 -9.082 -30.414 -27.604 1.00 0.00 H new ATOM 1455 N LEU A 93 -6.258 -29.128 -26.853 1.00 0.00 N ATOM 1456 CA LEU A 93 -5.172 -28.859 -27.848 1.00 0.00 C ATOM 1457 C LEU A 93 -5.472 -29.259 -29.332 1.00 0.00 C ATOM 1458 O LEU A 93 -4.695 -28.896 -30.221 1.00 0.00 O ATOM 1459 CB LEU A 93 -3.838 -29.369 -27.232 1.00 0.00 C ATOM 1460 CG LEU A 93 -2.962 -28.322 -26.480 1.00 0.00 C ATOM 1461 CD1 LEU A 93 -2.011 -27.646 -27.476 1.00 0.00 C ATOM 1462 CD2 LEU A 93 -3.732 -27.222 -25.709 1.00 0.00 C ATOM 0 H LEU A 93 -6.298 -30.093 -26.526 1.00 0.00 H new ATOM 0 HA LEU A 93 -5.089 -27.784 -28.007 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -4.072 -30.177 -26.538 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.238 -29.801 -28.033 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.434 -28.897 -25.719 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -1.397 -26.913 -26.953 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -1.368 -28.398 -27.933 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -2.592 -27.146 -28.251 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -3.022 -26.551 -25.226 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -4.350 -26.655 -26.405 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.367 -27.684 -24.953 1.00 0.00 H new ATOM 1474 N ALA A 94 -6.645 -29.846 -29.629 1.00 0.00 N ATOM 1475 CA ALA A 94 -7.282 -29.762 -30.966 1.00 0.00 C ATOM 1476 C ALA A 94 -7.862 -28.378 -31.437 1.00 0.00 C ATOM 1477 O ALA A 94 -8.141 -28.236 -32.629 1.00 0.00 O ATOM 1478 CB ALA A 94 -8.343 -30.879 -30.976 1.00 0.00 C ATOM 0 H ALA A 94 -7.181 -30.392 -28.954 1.00 0.00 H new ATOM 0 HA ALA A 94 -6.496 -29.885 -31.711 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -8.860 -30.881 -31.936 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -7.858 -31.843 -30.823 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -9.063 -30.704 -30.177 1.00 0.00 H new ATOM 1484 N GLN A 95 -7.981 -27.350 -30.567 1.00 0.00 N ATOM 1485 CA GLN A 95 -8.136 -25.925 -31.016 1.00 0.00 C ATOM 1486 C GLN A 95 -6.840 -25.283 -31.625 1.00 0.00 C ATOM 1487 O GLN A 95 -6.913 -24.575 -32.632 1.00 0.00 O ATOM 1488 CB GLN A 95 -8.797 -25.026 -29.927 1.00 0.00 C ATOM 1489 CG GLN A 95 -8.094 -24.898 -28.548 1.00 0.00 C ATOM 1490 CD GLN A 95 -8.328 -23.603 -27.760 1.00 0.00 C ATOM 1491 OE1 GLN A 95 -9.406 -23.483 -27.029 1.00 0.00 O flip ATOM 1492 NE2 GLN A 95 -7.511 -22.689 -27.753 1.00 0.00 N flip ATOM 0 H GLN A 95 -7.974 -27.467 -29.554 1.00 0.00 H new ATOM 0 HA GLN A 95 -8.831 -25.976 -31.854 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -8.899 -24.023 -30.342 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -9.805 -25.403 -29.752 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -8.414 -25.734 -27.927 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -7.021 -25.009 -28.704 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -6.663 -22.759 -28.315 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -7.680 -21.858 -27.185 1.00 0.00 H new ATOM 1501 N TYR A 96 -5.660 -25.572 -31.049 1.00 0.00 N ATOM 1502 CA TYR A 96 -4.342 -25.330 -31.676 1.00 0.00 C ATOM 1503 C TYR A 96 -4.112 -26.247 -32.937 1.00 0.00 C ATOM 1504 O TYR A 96 -4.129 -25.737 -34.057 1.00 0.00 O ATOM 1505 CB TYR A 96 -3.337 -25.511 -30.501 1.00 0.00 C ATOM 1506 CG TYR A 96 -1.869 -25.089 -30.661 1.00 0.00 C ATOM 1507 CD1 TYR A 96 -0.990 -25.845 -31.430 1.00 0.00 C ATOM 1508 CD2 TYR A 96 -1.367 -23.983 -29.975 1.00 0.00 C ATOM 1509 CE1 TYR A 96 0.371 -25.561 -31.422 1.00 0.00 C ATOM 1510 CE2 TYR A 96 0.002 -23.747 -29.914 1.00 0.00 C ATOM 1511 CZ TYR A 96 0.882 -24.583 -30.580 1.00 0.00 C ATOM 1512 OH TYR A 96 2.212 -24.257 -30.610 1.00 0.00 O ATOM 0 H TYR A 96 -5.591 -25.987 -30.120 1.00 0.00 H new ATOM 0 HA TYR A 96 -4.228 -24.338 -32.112 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -3.738 -24.965 -29.647 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -3.341 -26.568 -30.234 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -1.366 -26.656 -32.036 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -2.049 -23.303 -29.486 1.00 0.00 H new ATOM 0 HE1 TYR A 96 1.036 -26.106 -32.076 1.00 0.00 H new ATOM 0 HE2 TYR A 96 0.380 -22.910 -29.346 1.00 0.00 H new ATOM 0 HH TYR A 96 2.708 -24.951 -31.092 1.00 0.00 H new ATOM 1522 N ASN A 97 -3.918 -27.575 -32.774 1.00 0.00 N ATOM 1523 CA ASN A 97 -3.621 -28.504 -33.902 1.00 0.00 C ATOM 1524 C ASN A 97 -4.453 -29.823 -33.717 1.00 0.00 C ATOM 1525 O ASN A 97 -4.064 -30.639 -32.870 1.00 0.00 O ATOM 1526 CB ASN A 97 -2.095 -28.817 -33.990 1.00 0.00 C ATOM 1527 CG ASN A 97 -1.225 -27.791 -34.727 1.00 0.00 C ATOM 1528 OD1 ASN A 97 -1.642 -27.082 -35.635 1.00 0.00 O ATOM 1529 ND2 ASN A 97 0.045 -27.726 -34.415 1.00 0.00 N ATOM 0 H ASN A 97 -3.961 -28.036 -31.865 1.00 0.00 H new ATOM 0 HA ASN A 97 -3.906 -28.026 -34.839 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -1.710 -28.924 -32.976 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -1.973 -29.782 -34.481 1.00 0.00 H new ATOM 0 HD21 ASN A 97 0.664 -27.095 -34.924 1.00 0.00 H new ATOM 0 HD22 ASN A 97 0.416 -28.307 -33.663 1.00 0.00 H new ATOM 1536 N PRO A 98 -5.549 -30.121 -34.481 1.00 0.00 N ATOM 1537 CA PRO A 98 -6.342 -31.380 -34.301 1.00 0.00 C ATOM 1538 C PRO A 98 -5.718 -32.718 -34.820 1.00 0.00 C ATOM 1539 O PRO A 98 -6.282 -33.439 -35.647 1.00 0.00 O ATOM 1540 CB PRO A 98 -7.686 -30.988 -34.940 1.00 0.00 C ATOM 1541 CG PRO A 98 -7.358 -29.921 -35.982 1.00 0.00 C ATOM 1542 CD PRO A 98 -6.239 -29.121 -35.324 1.00 0.00 C ATOM 0 HA PRO A 98 -6.408 -31.670 -33.252 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -8.165 -31.851 -35.402 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -8.377 -30.603 -34.191 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -7.035 -30.364 -36.924 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -8.223 -29.296 -36.204 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -5.567 -28.688 -36.064 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -6.632 -28.297 -34.729 1.00 0.00 H new ATOM 1550 N LYS A 99 -4.566 -33.075 -34.240 1.00 0.00 N ATOM 1551 CA LYS A 99 -3.902 -34.402 -34.420 1.00 0.00 C ATOM 1552 C LYS A 99 -3.356 -35.027 -33.075 1.00 0.00 C ATOM 1553 O LYS A 99 -2.438 -35.853 -33.107 1.00 0.00 O ATOM 1554 CB LYS A 99 -2.761 -34.218 -35.468 1.00 0.00 C ATOM 1555 CG LYS A 99 -3.109 -33.874 -36.943 1.00 0.00 C ATOM 1556 CD LYS A 99 -3.600 -35.036 -37.842 1.00 0.00 C ATOM 1557 CE LYS A 99 -5.122 -35.274 -37.814 1.00 0.00 C ATOM 1558 NZ LYS A 99 -5.502 -36.315 -38.807 1.00 0.00 N ATOM 0 H LYS A 99 -4.049 -32.451 -33.620 1.00 0.00 H new ATOM 0 HA LYS A 99 -4.644 -35.118 -34.772 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -2.105 -33.431 -35.098 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -2.179 -35.139 -35.479 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -3.879 -33.102 -36.938 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -2.224 -33.438 -37.407 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -3.296 -34.835 -38.869 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -3.097 -35.953 -37.534 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -5.430 -35.585 -36.816 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -5.646 -34.344 -38.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -6.531 -36.465 -38.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -5.225 -36.003 -39.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -5.016 -37.206 -38.579 1.00 0.00 H new ATOM 1572 N LEU A 100 -3.898 -34.663 -31.892 1.00 0.00 N ATOM 1573 CA LEU A 100 -3.302 -35.027 -30.570 1.00 0.00 C ATOM 1574 C LEU A 100 -4.247 -35.077 -29.326 1.00 0.00 C ATOM 1575 O LEU A 100 -3.914 -35.868 -28.437 1.00 0.00 O ATOM 1576 CB LEU A 100 -1.967 -34.269 -30.258 1.00 0.00 C ATOM 1577 CG LEU A 100 -1.794 -32.759 -30.554 1.00 0.00 C ATOM 1578 CD1 LEU A 100 -2.845 -31.861 -29.890 1.00 0.00 C ATOM 1579 CD2 LEU A 100 -0.389 -32.290 -30.138 1.00 0.00 C ATOM 0 H LEU A 100 -4.754 -34.113 -31.817 1.00 0.00 H new ATOM 0 HA LEU A 100 -3.073 -36.079 -30.738 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -1.768 -34.406 -29.195 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -1.176 -34.788 -30.799 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.934 -32.657 -31.630 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -2.650 -30.820 -30.149 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -3.838 -32.143 -30.241 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -2.795 -31.981 -28.808 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -0.282 -31.227 -30.352 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.250 -32.461 -29.071 1.00 0.00 H new ATOM 0 HD23 LEU A 100 0.362 -32.850 -30.696 1.00 0.00 H new ATOM 1591 N ASP A 101 -5.307 -34.238 -29.215 1.00 0.00 N ATOM 1592 CA ASP A 101 -5.904 -33.751 -27.924 1.00 0.00 C ATOM 1593 C ASP A 101 -5.370 -34.292 -26.549 1.00 0.00 C ATOM 1594 O ASP A 101 -6.003 -35.050 -25.809 1.00 0.00 O ATOM 1595 CB ASP A 101 -7.455 -33.658 -27.975 1.00 0.00 C ATOM 1596 CG ASP A 101 -8.026 -32.607 -27.001 1.00 0.00 C ATOM 1597 OD1 ASP A 101 -7.981 -31.405 -27.335 1.00 0.00 O ATOM 1598 OD2 ASP A 101 -8.472 -32.956 -25.885 1.00 0.00 O ATOM 0 H ASP A 101 -5.789 -33.867 -30.034 1.00 0.00 H new ATOM 0 HA ASP A 101 -5.475 -32.749 -27.897 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -7.766 -33.412 -28.990 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -7.880 -34.633 -27.739 1.00 0.00 H new ATOM 1603 N VAL A 102 -4.195 -33.770 -26.197 1.00 0.00 N ATOM 1604 CA VAL A 102 -3.832 -33.511 -24.776 1.00 0.00 C ATOM 1605 C VAL A 102 -4.381 -32.092 -24.412 1.00 0.00 C ATOM 1606 O VAL A 102 -5.403 -31.655 -24.955 1.00 0.00 O ATOM 1607 CB VAL A 102 -2.289 -33.765 -24.601 1.00 0.00 C ATOM 1608 CG1 VAL A 102 -1.937 -35.265 -24.645 1.00 0.00 C ATOM 1609 CG2 VAL A 102 -1.383 -32.971 -25.573 1.00 0.00 C ATOM 0 H VAL A 102 -3.469 -33.513 -26.865 1.00 0.00 H new ATOM 0 HA VAL A 102 -4.289 -34.188 -24.054 1.00 0.00 H new ATOM 0 HB VAL A 102 -2.073 -33.378 -23.605 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -0.861 -35.390 -24.520 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -2.459 -35.785 -23.841 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -2.242 -35.682 -25.605 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -0.338 -33.212 -25.376 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -1.629 -33.238 -26.601 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -1.542 -31.902 -25.428 1.00 0.00 H new ATOM 1619 N LYS A 103 -3.771 -31.378 -23.464 1.00 0.00 N ATOM 1620 CA LYS A 103 -4.097 -29.946 -23.193 1.00 0.00 C ATOM 1621 C LYS A 103 -3.091 -29.317 -22.197 1.00 0.00 C ATOM 1622 O LYS A 103 -3.511 -28.796 -21.166 1.00 0.00 O ATOM 1623 CB LYS A 103 -5.588 -29.697 -22.800 1.00 0.00 C ATOM 1624 CG LYS A 103 -6.075 -30.531 -21.594 1.00 0.00 C ATOM 1625 CD LYS A 103 -7.603 -30.629 -21.482 1.00 0.00 C ATOM 1626 CE LYS A 103 -8.389 -31.202 -22.689 1.00 0.00 C ATOM 1627 NZ LYS A 103 -7.786 -32.370 -23.401 1.00 0.00 N ATOM 0 H LYS A 103 -3.042 -31.756 -22.859 1.00 0.00 H new ATOM 0 HA LYS A 103 -3.981 -29.422 -24.142 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -5.720 -28.639 -22.572 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -6.220 -29.919 -23.660 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -5.661 -31.536 -21.669 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -5.681 -30.091 -20.678 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -7.835 -31.243 -20.612 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -7.987 -29.629 -21.278 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -9.380 -31.493 -22.340 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -8.529 -30.400 -23.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -8.438 -32.699 -24.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -6.885 -32.085 -23.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -7.615 -33.140 -22.723 1.00 0.00 H new ATOM 1641 N LEU A 104 -1.767 -29.365 -22.456 1.00 0.00 N ATOM 1642 CA LEU A 104 -0.732 -28.674 -21.615 1.00 0.00 C ATOM 1643 C LEU A 104 -0.897 -28.668 -20.036 1.00 0.00 C ATOM 1644 O LEU A 104 -0.590 -27.695 -19.330 1.00 0.00 O ATOM 1645 CB LEU A 104 -0.374 -27.283 -22.191 1.00 0.00 C ATOM 1646 CG LEU A 104 -0.384 -27.054 -23.734 1.00 0.00 C ATOM 1647 CD1 LEU A 104 -0.176 -25.597 -24.157 1.00 0.00 C ATOM 1648 CD2 LEU A 104 0.602 -27.934 -24.498 1.00 0.00 C ATOM 0 H LEU A 104 -1.374 -29.877 -23.246 1.00 0.00 H new ATOM 0 HA LEU A 104 0.121 -29.346 -21.710 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.064 -26.562 -21.751 1.00 0.00 H new ATOM 0 HB3 LEU A 104 0.623 -27.030 -21.832 1.00 0.00 H new ATOM 0 HG LEU A 104 -1.398 -27.347 -24.007 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -0.197 -25.527 -25.245 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -0.971 -24.980 -23.739 1.00 0.00 H new ATOM 0 HD13 LEU A 104 0.788 -25.245 -23.789 1.00 0.00 H new ATOM 0 HD21 LEU A 104 0.535 -27.715 -25.564 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.615 -27.733 -24.150 1.00 0.00 H new ATOM 0 HD23 LEU A 104 0.361 -28.983 -24.327 1.00 0.00 H new ATOM 1660 N LEU A 105 -1.399 -29.791 -19.500 1.00 0.00 N ATOM 1661 CA LEU A 105 -1.735 -29.963 -18.062 1.00 0.00 C ATOM 1662 C LEU A 105 -0.608 -30.596 -17.171 1.00 0.00 C ATOM 1663 O LEU A 105 -0.869 -30.926 -16.012 1.00 0.00 O ATOM 1664 CB LEU A 105 -3.157 -30.612 -17.947 1.00 0.00 C ATOM 1665 CG LEU A 105 -3.605 -31.829 -18.818 1.00 0.00 C ATOM 1666 CD1 LEU A 105 -2.636 -33.023 -18.737 1.00 0.00 C ATOM 1667 CD2 LEU A 105 -5.003 -32.298 -18.379 1.00 0.00 C ATOM 0 H LEU A 105 -1.589 -30.625 -20.056 1.00 0.00 H new ATOM 0 HA LEU A 105 -1.786 -28.976 -17.603 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.277 -30.914 -16.907 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -3.878 -29.816 -18.133 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.614 -31.482 -19.851 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -3.005 -33.834 -19.364 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -1.650 -32.715 -19.085 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -2.566 -33.366 -17.705 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -5.310 -33.147 -18.990 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.974 -32.596 -17.331 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -5.716 -31.483 -18.505 1.00 0.00 H new ATOM 1679 N TYR A 106 0.654 -30.667 -17.649 1.00 0.00 N ATOM 1680 CA TYR A 106 1.833 -31.040 -16.807 1.00 0.00 C ATOM 1681 C TYR A 106 3.161 -30.366 -17.341 1.00 0.00 C ATOM 1682 O TYR A 106 4.105 -31.098 -17.663 1.00 0.00 O ATOM 1683 CB TYR A 106 1.889 -32.602 -16.666 1.00 0.00 C ATOM 1684 CG TYR A 106 2.868 -33.276 -15.667 1.00 0.00 C ATOM 1685 CD1 TYR A 106 3.703 -32.567 -14.789 1.00 0.00 C ATOM 1686 CD2 TYR A 106 2.917 -34.677 -15.658 1.00 0.00 C ATOM 1687 CE1 TYR A 106 4.582 -33.243 -13.947 1.00 0.00 C ATOM 1688 CE2 TYR A 106 3.797 -35.353 -14.809 1.00 0.00 C ATOM 1689 CZ TYR A 106 4.636 -34.632 -13.963 1.00 0.00 C ATOM 1690 OH TYR A 106 5.536 -35.269 -13.146 1.00 0.00 O ATOM 0 H TYR A 106 0.893 -30.471 -18.621 1.00 0.00 H new ATOM 0 HA TYR A 106 1.725 -30.642 -15.798 1.00 0.00 H new ATOM 0 HB2 TYR A 106 0.885 -32.936 -16.405 1.00 0.00 H new ATOM 0 HB3 TYR A 106 2.112 -33.005 -17.654 1.00 0.00 H new ATOM 0 HD1 TYR A 106 3.663 -31.488 -14.766 1.00 0.00 H new ATOM 0 HD2 TYR A 106 2.268 -35.239 -16.314 1.00 0.00 H new ATOM 0 HE1 TYR A 106 5.224 -32.687 -13.280 1.00 0.00 H new ATOM 0 HE2 TYR A 106 3.827 -36.433 -14.809 1.00 0.00 H new ATOM 0 HH TYR A 106 5.834 -36.100 -13.572 1.00 0.00 H new ATOM 1700 N PRO A 107 3.326 -29.005 -17.421 1.00 0.00 N ATOM 1701 CA PRO A 107 4.642 -28.351 -17.666 1.00 0.00 C ATOM 1702 C PRO A 107 5.601 -28.373 -16.433 1.00 0.00 C ATOM 1703 O PRO A 107 5.164 -28.478 -15.281 1.00 0.00 O ATOM 1704 CB PRO A 107 4.210 -26.941 -18.085 1.00 0.00 C ATOM 1705 CG PRO A 107 2.924 -26.673 -17.305 1.00 0.00 C ATOM 1706 CD PRO A 107 2.255 -28.031 -17.157 1.00 0.00 C ATOM 0 HA PRO A 107 5.248 -28.864 -18.413 1.00 0.00 H new ATOM 0 HB2 PRO A 107 4.978 -26.205 -17.845 1.00 0.00 H new ATOM 0 HB3 PRO A 107 4.039 -26.884 -19.160 1.00 0.00 H new ATOM 0 HG2 PRO A 107 3.139 -26.232 -16.332 1.00 0.00 H new ATOM 0 HG3 PRO A 107 2.280 -25.973 -17.837 1.00 0.00 H new ATOM 0 HD2 PRO A 107 1.839 -28.161 -16.158 1.00 0.00 H new ATOM 0 HD3 PRO A 107 1.432 -28.146 -17.862 1.00 0.00 H new ATOM 1714 N VAL A 108 6.919 -28.303 -16.684 1.00 0.00 N ATOM 1715 CA VAL A 108 7.947 -28.533 -15.612 1.00 0.00 C ATOM 1716 C VAL A 108 8.763 -27.203 -15.392 1.00 0.00 C ATOM 1717 O VAL A 108 8.535 -26.198 -16.076 1.00 0.00 O ATOM 1718 CB VAL A 108 8.745 -29.844 -15.995 1.00 0.00 C ATOM 1719 CG1 VAL A 108 9.844 -30.266 -14.994 1.00 0.00 C ATOM 1720 CG2 VAL A 108 7.843 -31.106 -16.149 1.00 0.00 C ATOM 0 H VAL A 108 7.311 -28.093 -17.602 1.00 0.00 H new ATOM 0 HA VAL A 108 7.537 -28.737 -14.623 1.00 0.00 H new ATOM 0 HB VAL A 108 9.190 -29.540 -16.942 1.00 0.00 H new ATOM 0 HG11 VAL A 108 10.330 -31.175 -15.349 1.00 0.00 H new ATOM 0 HG12 VAL A 108 10.583 -29.469 -14.908 1.00 0.00 H new ATOM 0 HG13 VAL A 108 9.395 -30.452 -14.018 1.00 0.00 H new ATOM 0 HG21 VAL A 108 8.461 -31.965 -16.412 1.00 0.00 H new ATOM 0 HG22 VAL A 108 7.329 -31.303 -15.208 1.00 0.00 H new ATOM 0 HG23 VAL A 108 7.107 -30.934 -16.935 1.00 0.00 H new ATOM 1730 N SER A 109 9.731 -27.177 -14.453 1.00 0.00 N ATOM 1731 CA SER A 109 10.787 -26.117 -14.374 1.00 0.00 C ATOM 1732 C SER A 109 11.909 -26.473 -13.345 1.00 0.00 C ATOM 1733 O SER A 109 11.987 -25.905 -12.252 1.00 0.00 O ATOM 1734 CB SER A 109 10.251 -24.661 -14.206 1.00 0.00 C ATOM 1735 OG SER A 109 9.252 -24.550 -13.190 1.00 0.00 O ATOM 0 H SER A 109 9.813 -27.885 -13.723 1.00 0.00 H new ATOM 0 HA SER A 109 11.245 -26.114 -15.363 1.00 0.00 H new ATOM 0 HB2 SER A 109 11.082 -23.999 -13.965 1.00 0.00 H new ATOM 0 HB3 SER A 109 9.837 -24.320 -15.155 1.00 0.00 H new ATOM 0 HG SER A 109 8.412 -24.242 -13.590 1.00 0.00 H new ATOM 1741 N LYS A 110 12.842 -27.373 -13.740 1.00 0.00 N ATOM 1742 CA LYS A 110 14.158 -27.592 -13.056 1.00 0.00 C ATOM 1743 C LYS A 110 14.120 -28.301 -11.659 1.00 0.00 C ATOM 1744 O LYS A 110 14.690 -29.385 -11.512 1.00 0.00 O ATOM 1745 CB LYS A 110 15.044 -26.312 -13.156 1.00 0.00 C ATOM 1746 CG LYS A 110 16.549 -26.514 -12.857 1.00 0.00 C ATOM 1747 CD LYS A 110 17.453 -25.313 -13.232 1.00 0.00 C ATOM 1748 CE LYS A 110 17.510 -24.887 -14.720 1.00 0.00 C ATOM 1749 NZ LYS A 110 18.002 -25.976 -15.606 1.00 0.00 N ATOM 0 H LYS A 110 12.709 -27.978 -14.550 1.00 0.00 H new ATOM 0 HA LYS A 110 14.666 -28.374 -13.620 1.00 0.00 H new ATOM 0 HB2 LYS A 110 14.944 -25.900 -14.160 1.00 0.00 H new ATOM 0 HB3 LYS A 110 14.652 -25.566 -12.465 1.00 0.00 H new ATOM 0 HG2 LYS A 110 16.669 -26.723 -11.794 1.00 0.00 H new ATOM 0 HG3 LYS A 110 16.897 -27.395 -13.396 1.00 0.00 H new ATOM 0 HD2 LYS A 110 17.124 -24.452 -12.650 1.00 0.00 H new ATOM 0 HD3 LYS A 110 18.468 -25.546 -12.911 1.00 0.00 H new ATOM 0 HE2 LYS A 110 16.516 -24.580 -15.045 1.00 0.00 H new ATOM 0 HE3 LYS A 110 18.161 -24.019 -14.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 18.494 -25.563 -16.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 18.659 -26.584 -15.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 17.197 -26.544 -15.938 1.00 0.00 H new ATOM 1763 N TYR A 111 13.488 -27.689 -10.644 1.00 0.00 N ATOM 1764 CA TYR A 111 13.335 -28.289 -9.291 1.00 0.00 C ATOM 1765 C TYR A 111 11.887 -28.055 -8.781 1.00 0.00 C ATOM 1766 O TYR A 111 11.068 -28.957 -8.627 1.00 0.00 O ATOM 1767 CB TYR A 111 14.456 -27.734 -8.366 1.00 0.00 C ATOM 1768 CG TYR A 111 14.566 -28.420 -6.994 1.00 0.00 C ATOM 1769 CD1 TYR A 111 15.252 -29.633 -6.865 1.00 0.00 C ATOM 1770 CD2 TYR A 111 13.980 -27.841 -5.863 1.00 0.00 C ATOM 1771 CE1 TYR A 111 15.347 -30.259 -5.623 1.00 0.00 C ATOM 1772 CE2 TYR A 111 14.076 -28.468 -4.623 1.00 0.00 C ATOM 1773 CZ TYR A 111 14.759 -29.675 -4.504 1.00 0.00 C ATOM 1774 OH TYR A 111 14.847 -30.285 -3.282 1.00 0.00 O ATOM 1775 OXT TYR A 111 11.607 -26.744 -8.515 1.00 0.00 O ATOM 0 H TYR A 111 13.066 -26.764 -10.729 1.00 0.00 H new ATOM 0 HA TYR A 111 13.465 -29.371 -9.307 1.00 0.00 H new ATOM 0 HB2 TYR A 111 15.412 -27.830 -8.881 1.00 0.00 H new ATOM 0 HB3 TYR A 111 14.283 -26.669 -8.210 1.00 0.00 H new ATOM 0 HD1 TYR A 111 15.710 -30.086 -7.732 1.00 0.00 H new ATOM 0 HD2 TYR A 111 13.451 -26.904 -5.952 1.00 0.00 H new ATOM 0 HE1 TYR A 111 15.876 -31.196 -5.529 1.00 0.00 H new ATOM 0 HE2 TYR A 111 13.620 -28.018 -3.754 1.00 0.00 H new ATOM 0 HH TYR A 111 14.383 -29.742 -2.611 1.00 0.00 H new TER 1786 TYR A 111 END