USER MOD reduce.3.24.130724 H: found=0, std=0, add=1071, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 1101 hydrogens (0 hets) HEADER CALCIUM-BINDING PROTEIN 23-AUG-95 1TNX TITLE NMR SOLUTION STRUCTURE OF CALCIUM SATURATED SKELETAL MUSCLE TITLE 2 TROPONIN C COMPND MOL_ID: 1; COMPND 2 MOLECULE: TROPONIN C; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES; COMPND 5 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; SOURCE 3 ORGANISM_COMMON: CHICKEN; SOURCE 4 ORGANISM_TAXID: 9031; SOURCE 5 ORGAN: SKELETAL; SOURCE 6 TISSUE: SKELETAL MUSCLE; SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 8 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET3A-TNC KEYWDS EF-HAND, CALCIUM-BINDING PROTEIN EXPDTA SOLUTION NMR AUTHOR C.M.SLUPSKY,B.D.SYKES REVDAT 2 24-FEB-09 1TNX 1 VERSN REVDAT 1 15-OCT-95 1TNX 0 JRNL AUTH C.M.SLUPSKY,B.D.SYKES JRNL TITL NMR SOLUTION STRUCTURE OF CALCIUM-SATURATED JRNL TITL 2 SKELETAL MUSCLE TROPONIN C. JRNL REF BIOCHEMISTRY V. 34 15953 1995 JRNL REFN ISSN 0006-2960 JRNL PMID 8519752 JRNL DOI 10.1021/BI00049A010 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH C.M.SLUPSKY,F.C.REINACH,L.B.SMILLIE,B.D.SYKES REMARK 1 TITL SOLUTION SECONDARY STRUCTURE OF CALCIUM SATURATED REMARK 1 TITL 2 TROPONIN C MONOMER DETERMINED BY MULTIDIMENSIONAL REMARK 1 TITL 3 HETERONUCLEAR NMR SPECTROSCOPY REMARK 1 REF PROTEIN SCI. V. 4 1279 1995 REMARK 1 REFN ISSN 0961-8368 REMARK 1 REFERENCE 2 REMARK 1 AUTH C.M.SLUPSKY,C.M.KAY,F.C.REINACH,L.B.SMILLIE, REMARK 1 AUTH 2 B.D.SYKES REMARK 1 TITL CALCIUM-INDUCED DIMERIZATION OF TROPONIN C: MODE REMARK 1 TITL 2 OF INTERACTION AND USE OF TRIFLUOROETHANOL AS A REMARK 1 TITL 3 DENATURANT OF QUATERNARY STRUCTURE REMARK 1 REF BIOCHEMISTRY V. 34 7365 1995 REMARK 1 REFN ISSN 0006-2960 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.1 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1TNX COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : NULL REMARK 210 PH : NULL REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : NULL REMARK 210 SPECTROMETER MODEL : NULL REMARK 210 SPECTROMETER MANUFACTURER : NULL REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : NULL REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 465 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 RES C SSSEQI REMARK 465 ALA A 1 REMARK 465 SER A 2 REMARK 465 MET A 3 REMARK 465 THR A 4 REMARK 465 MET A 86 REMARK 465 LYS A 87 REMARK 465 GLU A 88 REMARK 465 ASP A 89 REMARK 465 ALA A 90 REMARK 465 LYS A 91 REMARK 465 GLY A 92 REMARK 465 LYS A 93 REMARK 465 SER A 94 REMARK 465 GLU A 159 REMARK 465 GLY A 160 REMARK 465 VAL A 161 REMARK 465 GLN A 162 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 GLU A 9 CD GLU A 9 OE2 0.108 REMARK 500 ARG A 11 CZ ARG A 11 NH2 -0.111 REMARK 500 GLU A 16 CD GLU A 16 OE2 0.113 REMARK 500 GLU A 17 CD GLU A 17 OE2 0.102 REMARK 500 GLU A 21 CD GLU A 21 OE2 0.107 REMARK 500 ASP A 32 C ASP A 32 O -0.123 REMARK 500 GLY A 33 CA GLY A 33 C -0.158 REMARK 500 GLY A 33 C GLY A 33 O -0.385 REMARK 500 GLY A 34 N GLY A 34 CA -0.114 REMARK 500 GLY A 34 C GLY A 34 O -0.675 REMARK 500 GLY A 33 C GLY A 34 N -0.155 REMARK 500 GLY A 34 C GLY A 35 N -0.477 REMARK 500 GLU A 41 CD GLU A 41 OE2 0.105 REMARK 500 ARG A 47 CZ ARG A 47 NH2 -0.088 REMARK 500 GLN A 51 C GLN A 51 O -0.120 REMARK 500 GLU A 56 CD GLU A 56 OE2 0.110 REMARK 500 GLU A 57 CD GLU A 57 OE2 0.101 REMARK 500 GLU A 63 CD GLU A 63 OE2 0.112 REMARK 500 GLU A 64 CD GLU A 64 OE2 0.100 REMARK 500 GLU A 67 CD GLU A 67 OE2 0.111 REMARK 500 SER A 70 C SER A 70 O -0.138 REMARK 500 GLU A 76 CD GLU A 76 OE2 0.102 REMARK 500 GLU A 77 CD GLU A 77 OE2 0.096 REMARK 500 GLU A 95 N GLU A 95 CA -0.244 REMARK 500 GLU A 95 CD GLU A 95 OE2 0.111 REMARK 500 GLU A 96 CD GLU A 96 OE2 0.108 REMARK 500 GLU A 97 CD GLU A 97 OE2 0.106 REMARK 500 ARG A 103 CZ ARG A 103 NH1 -0.094 REMARK 500 ARG A 103 CZ ARG A 103 NH2 -0.110 REMARK 500 GLU A 116 CD GLU A 116 OE2 0.103 REMARK 500 GLU A 117 CD GLU A 117 OE2 0.111 REMARK 500 LEU A 118 C LEU A 118 O -0.121 REMARK 500 GLU A 120 CD GLU A 120 OE2 0.104 REMARK 500 GLU A 127 CD GLU A 127 OE2 0.105 REMARK 500 GLU A 127 C GLU A 127 O -0.362 REMARK 500 GLU A 127 C HIS A 128 N -0.319 REMARK 500 GLU A 131 CD GLU A 131 OE2 0.104 REMARK 500 GLU A 132 CD GLU A 132 OE2 0.102 REMARK 500 GLU A 135 CD GLU A 135 OE2 0.109 REMARK 500 ARG A 148 CZ ARG A 148 NH2 -0.109 REMARK 500 GLU A 153 CD GLU A 153 OE2 0.098 REMARK 500 MET A 158 CA MET A 158 C -0.206 REMARK 500 MET A 158 C MET A 158 O -0.473 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 ASP A 5 CB - CG - OD2 ANGL. DEV. = -6.9 DEGREES REMARK 500 ARG A 11 NE - CZ - NH1 ANGL. DEV. = 9.2 DEGREES REMARK 500 ARG A 11 NE - CZ - NH2 ANGL. DEV. = -4.9 DEGREES REMARK 500 ASP A 27 CB - CG - OD1 ANGL. DEV. = 6.8 DEGREES REMARK 500 ASP A 27 CB - CG - OD2 ANGL. DEV. = -6.2 DEGREES REMARK 500 MET A 28 N - CA - CB ANGL. DEV. = 14.3 DEGREES REMARK 500 ASP A 32 CB - CG - OD1 ANGL. DEV. = 6.0 DEGREES REMARK 500 ASP A 32 CB - CG - OD2 ANGL. DEV. = -7.9 DEGREES REMARK 500 GLY A 34 CA - C - O ANGL. DEV. = 23.2 DEGREES REMARK 500 GLY A 33 CA - C - N ANGL. DEV. = 15.9 DEGREES REMARK 500 GLY A 34 C - N - CA ANGL. DEV. = 12.6 DEGREES REMARK 500 GLY A 34 CA - C - N ANGL. DEV. = 38.2 DEGREES REMARK 500 GLY A 34 O - C - N ANGL. DEV. = -61.4 DEGREES REMARK 500 GLY A 35 C - N - CA ANGL. DEV. = 33.2 DEGREES REMARK 500 ASP A 36 CB - CG - OD2 ANGL. DEV. = -7.4 DEGREES REMARK 500 LYS A 40 N - CA - CB ANGL. DEV. = 16.9 DEGREES REMARK 500 LEU A 42 CB - CG - CD2 ANGL. DEV. = 17.2 DEGREES REMARK 500 ARG A 47 CG - CD - NE ANGL. DEV. = -12.9 DEGREES REMARK 500 ARG A 47 NE - CZ - NH1 ANGL. DEV. = 7.9 DEGREES REMARK 500 ARG A 47 NE - CZ - NH2 ANGL. DEV. = -6.5 DEGREES REMARK 500 MET A 48 CB - CA - C ANGL. DEV. = 12.8 DEGREES REMARK 500 THR A 54 CA - CB - CG2 ANGL. DEV. = 10.8 DEGREES REMARK 500 ASP A 59 CB - CG - OD1 ANGL. DEV. = 5.5 DEGREES REMARK 500 ASP A 59 CB - CG - OD2 ANGL. DEV. = -6.6 DEGREES REMARK 500 ASP A 66 CB - CG - OD2 ANGL. DEV. = -7.1 DEGREES REMARK 500 ASP A 68 CB - CG - OD1 ANGL. DEV. = 6.7 DEGREES REMARK 500 ASP A 68 CB - CG - OD2 ANGL. DEV. = -8.3 DEGREES REMARK 500 ASP A 74 CB - CG - OD1 ANGL. DEV. = 6.2 DEGREES REMARK 500 ASP A 74 CB - CG - OD2 ANGL. DEV. = -6.5 DEGREES REMARK 500 ARG A 103 CG - CD - NE ANGL. DEV. = -13.7 DEGREES REMARK 500 ARG A 103 NH1 - CZ - NH2 ANGL. DEV. = -7.0 DEGREES REMARK 500 ARG A 103 NE - CZ - NH1 ANGL. DEV. = 7.9 DEGREES REMARK 500 ASP A 114 CB - CG - OD2 ANGL. DEV. = -6.3 DEGREES REMARK 500 ARG A 123 NE - CZ - NH1 ANGL. DEV. = 3.1 DEGREES REMARK 500 ARG A 123 NE - CZ - NH2 ANGL. DEV. = -3.1 DEGREES REMARK 500 HIS A 128 N - CA - CB ANGL. DEV. = -11.6 DEGREES REMARK 500 HIS A 128 ND1 - CE1 - NE2 ANGL. DEV. = 8.4 DEGREES REMARK 500 GLU A 127 CA - C - N ANGL. DEV. = 14.1 DEGREES REMARK 500 GLU A 127 O - C - N ANGL. DEV. = -21.6 DEGREES REMARK 500 ASP A 136 CB - CG - OD2 ANGL. DEV. = -6.9 DEGREES REMARK 500 LYS A 139 N - CA - CB ANGL. DEV. = 14.0 DEGREES REMARK 500 LYS A 139 CD - CE - NZ ANGL. DEV. = -16.5 DEGREES REMARK 500 ASP A 140 CB - CG - OD2 ANGL. DEV. = -6.9 DEGREES REMARK 500 ASP A 142 CB - CG - OD2 ANGL. DEV. = -5.5 DEGREES REMARK 500 ARG A 148 NH1 - CZ - NH2 ANGL. DEV. = -8.1 DEGREES REMARK 500 ARG A 148 NE - CZ - NH1 ANGL. DEV. = 8.8 DEGREES REMARK 500 ASP A 150 CB - CG - OD2 ANGL. DEV. = -5.4 DEGREES REMARK 500 ASP A 152 CB - CG - OD1 ANGL. DEV. = 5.6 DEGREES REMARK 500 ASP A 152 CB - CG - OD2 ANGL. DEV. = -6.3 DEGREES REMARK 500 MET A 158 CA - C - O ANGL. DEV. = 17.8 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 ASP A 30 44.41 -84.30 REMARK 500 ASN A 145 76.18 61.83 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 ARG A 84 0.34 SIDE_CHAIN REMARK 500 ARG A 123 0.28 SIDE_CHAIN REMARK 500 ARG A 148 0.13 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: I REMARK 800 EVIDENCE_CODE: UNKNOWN REMARK 800 SITE_DESCRIPTION: NULL REMARK 800 SITE_IDENTIFIER: II REMARK 800 EVIDENCE_CODE: UNKNOWN REMARK 800 SITE_DESCRIPTION: NULL REMARK 800 SITE_IDENTIFIER: III REMARK 800 EVIDENCE_CODE: UNKNOWN REMARK 800 SITE_DESCRIPTION: NULL REMARK 800 SITE_IDENTIFIER: IV REMARK 800 EVIDENCE_CODE: UNKNOWN REMARK 800 SITE_DESCRIPTION: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1TNW RELATED DB: PDB DBREF 1TNX A 1 162 UNP P02588 TNNC2_CHICK 2 163 SEQRES 1 A 162 ALA SER MET THR ASP GLN GLN ALA GLU ALA ARG ALA PHE SEQRES 2 A 162 LEU SER GLU GLU MET ILE ALA GLU PHE LYS ALA ALA PHE SEQRES 3 A 162 ASP MET PHE ASP ALA ASP GLY GLY GLY ASP ILE SER THR SEQRES 4 A 162 LYS GLU LEU GLY THR VAL MET ARG MET LEU GLY GLN ASN SEQRES 5 A 162 PRO THR LYS GLU GLU LEU ASP ALA ILE ILE GLU GLU VAL SEQRES 6 A 162 ASP GLU ASP GLY SER GLY THR ILE ASP PHE GLU GLU PHE SEQRES 7 A 162 LEU VAL MET MET VAL ARG GLN MET LYS GLU ASP ALA LYS SEQRES 8 A 162 GLY LYS SER GLU GLU GLU LEU ALA ASN CYS PHE ARG ILE SEQRES 9 A 162 PHE ASP LYS ASN ALA ASP GLY PHE ILE ASP ILE GLU GLU SEQRES 10 A 162 LEU GLY GLU ILE LEU ARG ALA THR GLY GLU HIS VAL ILE SEQRES 11 A 162 GLU GLU ASP ILE GLU ASP LEU MET LYS ASP SER ASP LYS SEQRES 12 A 162 ASN ASN ASP GLY ARG ILE ASP PHE ASP GLU PHE LEU LYS SEQRES 13 A 162 MET MET GLU GLY VAL GLN HELIX 1 N GLN A 6 PHE A 13 1 8 HELIX 2 A GLU A 16 PHE A 29 1 14 HELIX 3 B THR A 39 MET A 48 1 10 HELIX 4 C LYS A 55 VAL A 65 1 11 HELIX 5 D PHE A 75 ARG A 84 1 10 HELIX 6 E GLU A 96 PHE A 105 1 10 HELIX 7 F ILE A 115 ALA A 124 1 10 HELIX 8 G GLU A 131 SER A 141 1 11 HELIX 9 H PHE A 151 MET A 157 1 7 SHEET 1 S1 2 ASP A 36 SER A 38 0 SHEET 2 S1 2 THR A 72 ASP A 74 -1 SHEET 1 S2 2 PHE A 112 ASP A 114 0 SHEET 2 S2 2 ARG A 148 ASP A 150 -1 SITE *** I 12 ASP A 30 ALA A 31 ASP A 32 GLY A 33 SITE *** I 12 GLY A 34 GLY A 35 ASP A 36 ILE A 37 SITE *** I 12 SER A 38 THR A 39 LYS A 40 GLU A 41 SITE *** II 12 ASP A 66 GLU A 67 ASP A 68 GLY A 69 SITE *** II 12 SER A 70 GLY A 71 THR A 72 ILE A 73 SITE *** II 12 ASP A 74 PHE A 75 GLU A 76 GLU A 77 SITE *** III 12 ASP A 106 LYS A 107 ASN A 108 ALA A 109 SITE *** III 12 ASP A 110 GLY A 111 PHE A 112 ILE A 113 SITE *** III 12 ASP A 114 ILE A 115 GLU A 116 GLU A 117 SITE *** IV 12 ASP A 142 LYS A 143 ASN A 144 ASN A 145 SITE *** IV 12 ASP A 146 GLY A 147 ARG A 148 ILE A 149 SITE *** IV 12 ASP A 150 PHE A 151 ASP A 152 GLU A 153 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 101 CYS SG : rot 160:sc= 0 USER MOD Set 1.2: A 158 MET CE :methyl -177:sc= 0 (180deg=-0.0149) USER MOD Set 2.1: A 143 LYS NZ :NH3+ -173:sc= -4.12! (180deg=-4.47!) USER MOD Set 2.2: A 156 LYS NZ :NH3+ -133:sc=-0.000409 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= -0.282 K(o=-0.28,f=-2.7!) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -150:sc= 0.0533 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 67:sc= 0.471 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl 155:sc= -0.15 (180deg=-0.983) USER MOD Single : A 51 GLN : amide:sc= -0.149 X(o=-0.15,f=0) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 54 THR OG1 : rot -130:sc= -2.86! USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot -155:sc= 0.0555 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl 164:sc= -0.123 (180deg=-0.587) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 125 THR OG1 : rot -179:sc= 0 USER MOD Single : A 128 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 138 MET CE :methyl -134:sc= -1.12 (180deg=-3.25!) USER MOD Single : A 139 LYS NZ :NH3+ -126:sc= 0 (180deg=-0.0588) USER MOD Single : A 141 SER OG : rot 180:sc= 0 USER MOD Single : A 144 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 145 ASN : amide:sc= -0.101 K(o=-0.1,f=-1.1!) USER MOD Single : A 157 MET CE :methyl 151:sc= -0.238 (180deg=-0.935) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 5 -0.503 20.575 -6.061 1.00 0.00 N ATOM 2 CA ASP A 5 -0.545 19.429 -6.954 1.00 0.00 C ATOM 3 C ASP A 5 -1.109 18.250 -6.217 1.00 0.00 C ATOM 4 O ASP A 5 -2.046 17.618 -6.641 1.00 0.00 O ATOM 5 CB ASP A 5 0.963 19.097 -7.294 1.00 0.00 C ATOM 6 CG ASP A 5 1.201 19.140 -8.764 1.00 0.00 C ATOM 7 OD1 ASP A 5 0.980 18.199 -9.515 1.00 0.00 O ATOM 8 OD2 ASP A 5 1.583 20.371 -9.166 1.00 0.00 O ATOM 0 HA ASP A 5 -1.148 19.635 -7.839 1.00 0.00 H new ATOM 0 HB2 ASP A 5 1.618 19.811 -6.795 1.00 0.00 H new ATOM 0 HB3 ASP A 5 1.217 18.109 -6.910 1.00 0.00 H new ATOM 13 N GLN A 6 -0.551 17.967 -5.103 1.00 0.00 N ATOM 14 CA GLN A 6 -1.053 16.845 -4.309 1.00 0.00 C ATOM 15 C GLN A 6 -2.410 17.168 -3.751 1.00 0.00 C ATOM 16 O GLN A 6 -3.290 16.342 -3.698 1.00 0.00 O ATOM 17 CB GLN A 6 -0.081 16.584 -3.122 1.00 0.00 C ATOM 18 CG GLN A 6 1.376 16.250 -3.514 1.00 0.00 C ATOM 19 CD GLN A 6 2.494 16.625 -2.548 1.00 0.00 C ATOM 20 OE1 GLN A 6 3.384 15.830 -2.322 1.00 0.00 O ATOM 21 NE2 GLN A 6 2.605 17.810 -1.998 1.00 0.00 N ATOM 0 H GLN A 6 0.241 18.468 -4.701 1.00 0.00 H new ATOM 0 HA GLN A 6 -1.123 15.965 -4.948 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -0.073 17.466 -2.481 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -0.476 15.761 -2.526 1.00 0.00 H new ATOM 0 HG2 GLN A 6 1.434 15.175 -3.687 1.00 0.00 H new ATOM 0 HG3 GLN A 6 1.583 16.738 -4.466 1.00 0.00 H new ATOM 0 HE21 GLN A 6 1.885 18.515 -2.156 1.00 0.00 H new ATOM 0 HE22 GLN A 6 3.411 18.027 -1.412 1.00 0.00 H new ATOM 30 N GLN A 7 -2.584 18.368 -3.335 1.00 0.00 N ATOM 31 CA GLN A 7 -3.881 18.756 -2.781 1.00 0.00 C ATOM 32 C GLN A 7 -4.926 18.802 -3.866 1.00 0.00 C ATOM 33 O GLN A 7 -6.043 18.385 -3.687 1.00 0.00 O ATOM 34 CB GLN A 7 -3.768 20.142 -2.106 1.00 0.00 C ATOM 35 CG GLN A 7 -3.549 19.989 -0.590 1.00 0.00 C ATOM 36 CD GLN A 7 -2.782 21.154 -0.004 1.00 0.00 C ATOM 37 OE1 GLN A 7 -3.326 22.170 0.404 1.00 0.00 O ATOM 38 NE2 GLN A 7 -1.480 21.053 -0.015 1.00 0.00 N ATOM 0 H GLN A 7 -1.878 19.104 -3.355 1.00 0.00 H new ATOM 0 HA GLN A 7 -4.179 18.015 -2.040 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -2.940 20.700 -2.544 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -4.674 20.718 -2.292 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -4.515 19.904 -0.092 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -3.007 19.064 -0.394 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -1.038 20.200 -0.358 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -0.906 21.827 0.319 1.00 0.00 H new ATOM 47 N ALA A 8 -4.572 19.304 -4.990 1.00 0.00 N ATOM 48 CA ALA A 8 -5.550 19.375 -6.090 1.00 0.00 C ATOM 49 C ALA A 8 -5.927 17.996 -6.607 1.00 0.00 C ATOM 50 O ALA A 8 -6.838 17.843 -7.376 1.00 0.00 O ATOM 51 CB ALA A 8 -4.909 20.239 -7.195 1.00 0.00 C ATOM 0 H ALA A 8 -3.645 19.672 -5.202 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.483 19.818 -5.742 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.597 20.323 -8.036 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -4.694 21.233 -6.801 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -3.982 19.773 -7.529 1.00 0.00 H new ATOM 57 N GLU A 9 -5.250 16.994 -6.193 1.00 0.00 N ATOM 58 CA GLU A 9 -5.589 15.639 -6.666 1.00 0.00 C ATOM 59 C GLU A 9 -6.258 14.864 -5.565 1.00 0.00 C ATOM 60 O GLU A 9 -7.261 14.214 -5.767 1.00 0.00 O ATOM 61 CB GLU A 9 -4.472 14.660 -7.130 1.00 0.00 C ATOM 62 CG GLU A 9 -3.495 15.263 -8.110 1.00 0.00 C ATOM 63 CD GLU A 9 -2.401 14.330 -8.573 1.00 0.00 C ATOM 64 OE1 GLU A 9 -2.605 13.267 -9.144 1.00 0.00 O ATOM 65 OE2 GLU A 9 -1.164 14.791 -8.247 1.00 0.00 O ATOM 0 H GLU A 9 -4.467 17.046 -5.541 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.175 15.902 -7.546 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -3.924 14.310 -6.255 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.936 13.786 -7.587 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -4.047 15.613 -8.982 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -3.036 16.138 -7.651 1.00 0.00 H new ATOM 73 N ALA A 10 -5.726 14.948 -4.398 1.00 0.00 N ATOM 74 CA ALA A 10 -6.345 14.238 -3.274 1.00 0.00 C ATOM 75 C ALA A 10 -7.702 14.832 -2.990 1.00 0.00 C ATOM 76 O ALA A 10 -8.584 14.175 -2.495 1.00 0.00 O ATOM 77 CB ALA A 10 -5.427 14.419 -2.082 1.00 0.00 C ATOM 0 H ALA A 10 -4.885 15.480 -4.173 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.481 13.179 -3.495 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.848 13.906 -1.217 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.447 14.001 -2.311 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.325 15.481 -1.859 1.00 0.00 H new ATOM 83 N ARG A 11 -7.875 16.066 -3.321 1.00 0.00 N ATOM 84 CA ARG A 11 -9.174 16.703 -3.093 1.00 0.00 C ATOM 85 C ARG A 11 -10.211 16.090 -4.021 1.00 0.00 C ATOM 86 O ARG A 11 -11.303 15.754 -3.625 1.00 0.00 O ATOM 87 CB ARG A 11 -9.018 18.176 -3.396 1.00 0.00 C ATOM 88 CG ARG A 11 -9.588 19.042 -2.306 1.00 0.00 C ATOM 89 CD ARG A 11 -10.597 19.831 -3.078 1.00 0.00 C ATOM 90 NE ARG A 11 -11.172 20.689 -2.073 1.00 0.00 N ATOM 91 CZ ARG A 11 -11.755 21.791 -2.358 1.00 0.00 C ATOM 92 NH1 ARG A 11 -11.825 22.405 -3.471 1.00 0.00 N ATOM 93 NH2 ARG A 11 -12.042 22.490 -1.406 1.00 0.00 N ATOM 0 H ARG A 11 -7.164 16.663 -3.743 1.00 0.00 H new ATOM 0 HA ARG A 11 -9.502 16.558 -2.064 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.961 18.409 -3.528 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -9.515 18.406 -4.338 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -10.044 18.456 -1.508 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -8.832 19.677 -1.844 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.133 20.404 -3.881 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -11.347 19.188 -3.537 1.00 0.00 H new ATOM 0 HE ARG A 11 -11.112 20.406 -1.095 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -11.371 22.016 -4.298 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -12.335 23.286 -3.536 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -11.816 22.182 -0.460 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -12.509 23.385 -1.553 1.00 0.00 H new ATOM 106 N ALA A 12 -9.867 15.934 -5.252 1.00 0.00 N ATOM 107 CA ALA A 12 -10.816 15.328 -6.215 1.00 0.00 C ATOM 108 C ALA A 12 -11.026 13.858 -5.907 1.00 0.00 C ATOM 109 O ALA A 12 -11.993 13.265 -6.331 1.00 0.00 O ATOM 110 CB ALA A 12 -10.224 15.536 -7.624 1.00 0.00 C ATOM 0 H ALA A 12 -8.963 16.200 -5.642 1.00 0.00 H new ATOM 0 HA ALA A 12 -11.797 15.799 -6.148 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -10.893 15.103 -8.367 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -10.109 16.603 -7.817 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.251 15.049 -7.685 1.00 0.00 H new ATOM 116 N PHE A 13 -10.129 13.268 -5.173 1.00 0.00 N ATOM 117 CA PHE A 13 -10.277 11.840 -4.839 1.00 0.00 C ATOM 118 C PHE A 13 -11.476 11.635 -3.923 1.00 0.00 C ATOM 119 O PHE A 13 -12.259 10.741 -4.124 1.00 0.00 O ATOM 120 CB PHE A 13 -8.946 11.347 -4.205 1.00 0.00 C ATOM 121 CG PHE A 13 -8.833 9.818 -4.142 1.00 0.00 C ATOM 122 CD1 PHE A 13 -9.633 9.061 -3.278 1.00 0.00 C ATOM 123 CD2 PHE A 13 -7.982 9.165 -5.038 1.00 0.00 C ATOM 124 CE1 PHE A 13 -9.632 7.673 -3.351 1.00 0.00 C ATOM 125 CE2 PHE A 13 -7.958 7.775 -5.088 1.00 0.00 C ATOM 126 CZ PHE A 13 -8.787 7.030 -4.255 1.00 0.00 C ATOM 0 H PHE A 13 -9.298 13.720 -4.791 1.00 0.00 H new ATOM 0 HA PHE A 13 -10.470 11.249 -5.734 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -8.109 11.743 -4.780 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -8.860 11.753 -3.197 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -10.255 9.559 -2.549 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -7.343 9.740 -5.692 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -10.282 7.095 -2.711 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -7.294 7.272 -5.776 1.00 0.00 H new ATOM 0 HZ PHE A 13 -8.776 5.951 -4.309 1.00 0.00 H new ATOM 136 N LEU A 14 -11.625 12.454 -2.928 1.00 0.00 N ATOM 137 CA LEU A 14 -12.777 12.304 -2.004 1.00 0.00 C ATOM 138 C LEU A 14 -13.697 13.503 -2.138 1.00 0.00 C ATOM 139 O LEU A 14 -13.278 14.629 -2.008 1.00 0.00 O ATOM 140 CB LEU A 14 -12.168 12.194 -0.597 1.00 0.00 C ATOM 141 CG LEU A 14 -10.937 13.075 -0.257 1.00 0.00 C ATOM 142 CD1 LEU A 14 -11.078 13.723 1.069 1.00 0.00 C ATOM 143 CD2 LEU A 14 -9.668 12.257 -0.217 1.00 0.00 C ATOM 0 H LEU A 14 -10.995 13.227 -2.712 1.00 0.00 H new ATOM 0 HA LEU A 14 -13.384 11.425 -2.223 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -12.952 12.426 0.124 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -11.886 11.153 -0.437 1.00 0.00 H new ATOM 0 HG LEU A 14 -10.883 13.828 -1.043 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -10.197 14.332 1.272 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -11.965 14.356 1.072 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -11.176 12.958 1.839 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.825 12.905 0.024 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -9.759 11.482 0.544 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -9.503 11.793 -1.190 1.00 0.00 H new ATOM 155 N SER A 15 -14.953 13.263 -2.391 1.00 0.00 N ATOM 156 CA SER A 15 -15.921 14.377 -2.530 1.00 0.00 C ATOM 157 C SER A 15 -16.331 14.874 -1.146 1.00 0.00 C ATOM 158 O SER A 15 -15.873 14.451 -0.191 1.00 0.00 O ATOM 159 CB SER A 15 -17.152 13.838 -3.329 1.00 0.00 C ATOM 160 OG SER A 15 -16.808 13.378 -4.636 1.00 0.00 O ATOM 0 H SER A 15 -15.351 12.331 -2.508 1.00 0.00 H new ATOM 0 HA SER A 15 -15.481 15.219 -3.064 1.00 0.00 H new ATOM 0 HB2 SER A 15 -17.612 13.022 -2.771 1.00 0.00 H new ATOM 0 HB3 SER A 15 -17.899 14.628 -3.412 1.00 0.00 H new ATOM 0 HG SER A 15 -17.613 13.051 -5.090 1.00 0.00 H new ATOM 166 N GLU A 16 -17.191 15.769 -1.034 1.00 0.00 N ATOM 167 CA GLU A 16 -17.637 16.297 0.286 1.00 0.00 C ATOM 168 C GLU A 16 -18.276 15.184 1.115 1.00 0.00 C ATOM 169 O GLU A 16 -18.229 15.212 2.322 1.00 0.00 O ATOM 170 CB GLU A 16 -18.767 17.320 0.033 1.00 0.00 C ATOM 171 CG GLU A 16 -18.231 18.745 -0.122 1.00 0.00 C ATOM 172 CD GLU A 16 -19.366 19.756 -0.189 1.00 0.00 C ATOM 173 OE1 GLU A 16 -19.577 20.460 -1.166 1.00 0.00 O ATOM 174 OE2 GLU A 16 -20.162 19.727 0.920 1.00 0.00 O ATOM 0 H GLU A 16 -17.653 16.206 -1.831 1.00 0.00 H new ATOM 0 HA GLU A 16 -16.775 16.723 0.800 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -19.314 17.039 -0.867 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -19.476 17.288 0.860 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -17.577 18.984 0.717 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -17.627 18.813 -1.027 1.00 0.00 H new ATOM 182 N GLU A 17 -18.859 14.201 0.479 1.00 0.00 N ATOM 183 CA GLU A 17 -19.483 13.084 1.232 1.00 0.00 C ATOM 184 C GLU A 17 -18.392 12.312 1.966 1.00 0.00 C ATOM 185 O GLU A 17 -18.501 12.035 3.139 1.00 0.00 O ATOM 186 CB GLU A 17 -20.297 12.218 0.255 1.00 0.00 C ATOM 187 CG GLU A 17 -21.519 11.697 1.026 1.00 0.00 C ATOM 188 CD GLU A 17 -22.012 10.369 0.530 1.00 0.00 C ATOM 189 OE1 GLU A 17 -21.541 9.294 0.884 1.00 0.00 O ATOM 190 OE2 GLU A 17 -23.083 10.521 -0.284 1.00 0.00 O ATOM 0 H GLU A 17 -18.928 14.128 -0.536 1.00 0.00 H new ATOM 0 HA GLU A 17 -20.178 13.447 1.989 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -20.608 12.802 -0.611 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -19.695 11.390 -0.119 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -21.264 11.611 2.082 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -22.325 12.427 0.952 1.00 0.00 H new ATOM 198 N MET A 18 -17.331 11.983 1.282 1.00 0.00 N ATOM 199 CA MET A 18 -16.211 11.250 1.930 1.00 0.00 C ATOM 200 C MET A 18 -15.535 12.168 2.943 1.00 0.00 C ATOM 201 O MET A 18 -15.278 11.787 4.062 1.00 0.00 O ATOM 202 CB MET A 18 -15.208 10.832 0.833 1.00 0.00 C ATOM 203 CG MET A 18 -14.854 9.359 0.831 1.00 0.00 C ATOM 204 SD MET A 18 -15.649 8.700 -0.622 1.00 0.00 S ATOM 205 CE MET A 18 -15.743 7.036 -0.028 1.00 0.00 C ATOM 0 H MET A 18 -17.192 12.193 0.294 1.00 0.00 H new ATOM 0 HA MET A 18 -16.576 10.364 2.448 1.00 0.00 H new ATOM 0 HB2 MET A 18 -15.624 11.094 -0.140 1.00 0.00 H new ATOM 0 HB3 MET A 18 -14.293 11.412 0.955 1.00 0.00 H new ATOM 0 HG2 MET A 18 -13.775 9.212 0.792 1.00 0.00 H new ATOM 0 HG3 MET A 18 -15.211 8.865 1.735 1.00 0.00 H new ATOM 0 HE1 MET A 18 -16.217 6.407 -0.781 1.00 0.00 H new ATOM 0 HE2 MET A 18 -14.738 6.665 0.174 1.00 0.00 H new ATOM 0 HE3 MET A 18 -16.331 7.010 0.889 1.00 0.00 H new ATOM 215 N ILE A 19 -15.251 13.378 2.543 1.00 0.00 N ATOM 216 CA ILE A 19 -14.594 14.362 3.459 1.00 0.00 C ATOM 217 C ILE A 19 -15.355 14.441 4.782 1.00 0.00 C ATOM 218 O ILE A 19 -14.759 14.568 5.828 1.00 0.00 O ATOM 219 CB ILE A 19 -14.588 15.814 2.826 1.00 0.00 C ATOM 220 CG1 ILE A 19 -13.680 15.894 1.591 1.00 0.00 C ATOM 221 CG2 ILE A 19 -14.101 16.927 3.789 1.00 0.00 C ATOM 222 CD1 ILE A 19 -13.803 17.069 0.626 1.00 0.00 C ATOM 0 H ILE A 19 -15.448 13.734 1.608 1.00 0.00 H new ATOM 0 HA ILE A 19 -13.571 14.021 3.619 1.00 0.00 H new ATOM 0 HB ILE A 19 -15.635 15.984 2.575 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -12.649 15.872 1.945 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -13.838 14.983 1.014 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -14.128 17.889 3.277 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -14.752 16.963 4.663 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -13.080 16.713 4.106 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -13.082 16.952 -0.183 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -14.811 17.096 0.212 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -13.604 17.999 1.158 1.00 0.00 H new ATOM 234 N ALA A 20 -16.662 14.367 4.738 1.00 0.00 N ATOM 235 CA ALA A 20 -17.463 14.435 5.989 1.00 0.00 C ATOM 236 C ALA A 20 -17.084 13.284 6.910 1.00 0.00 C ATOM 237 O ALA A 20 -16.852 13.476 8.084 1.00 0.00 O ATOM 238 CB ALA A 20 -18.960 14.421 5.609 1.00 0.00 C ATOM 0 H ALA A 20 -17.207 14.262 3.882 1.00 0.00 H new ATOM 0 HA ALA A 20 -17.257 15.355 6.536 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -19.566 14.470 6.514 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -19.183 15.280 4.976 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -19.190 13.503 5.068 1.00 0.00 H new ATOM 244 N GLU A 21 -17.007 12.091 6.383 1.00 0.00 N ATOM 245 CA GLU A 21 -16.626 10.928 7.223 1.00 0.00 C ATOM 246 C GLU A 21 -15.196 11.118 7.729 1.00 0.00 C ATOM 247 O GLU A 21 -14.882 10.798 8.853 1.00 0.00 O ATOM 248 CB GLU A 21 -16.749 9.677 6.318 1.00 0.00 C ATOM 249 CG GLU A 21 -17.384 8.545 7.134 1.00 0.00 C ATOM 250 CD GLU A 21 -17.415 7.196 6.433 1.00 0.00 C ATOM 251 OE1 GLU A 21 -16.696 6.885 5.490 1.00 0.00 O ATOM 252 OE2 GLU A 21 -18.352 6.377 6.978 1.00 0.00 O ATOM 0 H GLU A 21 -17.193 11.875 5.404 1.00 0.00 H new ATOM 0 HA GLU A 21 -17.266 10.821 8.098 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -17.359 9.901 5.443 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -15.767 9.376 5.953 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -16.837 8.440 8.071 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -18.404 8.829 7.391 1.00 0.00 H new ATOM 260 N PHE A 22 -14.332 11.652 6.908 1.00 0.00 N ATOM 261 CA PHE A 22 -12.926 11.887 7.341 1.00 0.00 C ATOM 262 C PHE A 22 -12.895 12.981 8.410 1.00 0.00 C ATOM 263 O PHE A 22 -12.036 12.995 9.267 1.00 0.00 O ATOM 264 CB PHE A 22 -12.092 12.245 6.085 1.00 0.00 C ATOM 265 CG PHE A 22 -11.990 11.147 5.022 1.00 0.00 C ATOM 266 CD1 PHE A 22 -11.828 9.791 5.345 1.00 0.00 C ATOM 267 CD2 PHE A 22 -12.144 11.520 3.705 1.00 0.00 C ATOM 268 CE1 PHE A 22 -11.884 8.830 4.333 1.00 0.00 C ATOM 269 CE2 PHE A 22 -12.167 10.568 2.697 1.00 0.00 C ATOM 270 CZ PHE A 22 -12.052 9.220 3.017 1.00 0.00 C ATOM 0 H PHE A 22 -14.542 11.937 5.951 1.00 0.00 H new ATOM 0 HA PHE A 22 -12.491 10.997 7.795 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -12.526 13.133 5.624 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -11.084 12.511 6.404 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -11.661 9.492 6.369 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -12.248 12.565 3.455 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -11.796 7.782 4.578 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -12.274 10.873 1.666 1.00 0.00 H new ATOM 0 HZ PHE A 22 -12.094 8.475 2.236 1.00 0.00 H new ATOM 280 N LYS A 23 -13.836 13.892 8.368 1.00 0.00 N ATOM 281 CA LYS A 23 -13.875 14.983 9.380 1.00 0.00 C ATOM 282 C LYS A 23 -14.133 14.403 10.772 1.00 0.00 C ATOM 283 O LYS A 23 -13.699 14.953 11.762 1.00 0.00 O ATOM 284 CB LYS A 23 -14.941 15.971 8.915 1.00 0.00 C ATOM 285 CG LYS A 23 -14.527 17.355 9.404 1.00 0.00 C ATOM 286 CD LYS A 23 -15.609 18.374 9.067 1.00 0.00 C ATOM 287 CE LYS A 23 -16.354 18.676 10.362 1.00 0.00 C ATOM 288 NZ LYS A 23 -17.410 19.651 10.098 1.00 0.00 N ATOM 0 H LYS A 23 -14.580 13.924 7.671 1.00 0.00 H new ATOM 0 HA LYS A 23 -12.924 15.508 9.464 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -15.028 15.958 7.829 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -15.917 15.699 9.316 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -14.359 17.334 10.481 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -13.585 17.646 8.940 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -15.169 19.282 8.654 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -16.290 17.979 8.313 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -16.783 17.761 10.770 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -15.663 19.065 11.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -17.920 19.858 10.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -16.989 20.527 9.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -18.074 19.263 9.398 1.00 0.00 H new ATOM 301 N ALA A 24 -14.832 13.298 10.856 1.00 0.00 N ATOM 302 CA ALA A 24 -15.111 12.682 12.185 1.00 0.00 C ATOM 303 C ALA A 24 -13.800 12.330 12.889 1.00 0.00 C ATOM 304 O ALA A 24 -13.591 12.662 14.035 1.00 0.00 O ATOM 305 CB ALA A 24 -16.019 11.452 11.966 1.00 0.00 C ATOM 0 H ALA A 24 -15.221 12.797 10.058 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.632 13.382 12.838 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -16.236 10.985 12.926 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -16.951 11.767 11.496 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -15.511 10.735 11.320 1.00 0.00 H new ATOM 311 N ALA A 25 -12.918 11.668 12.205 1.00 0.00 N ATOM 312 CA ALA A 25 -11.611 11.294 12.817 1.00 0.00 C ATOM 313 C ALA A 25 -10.738 12.536 13.004 1.00 0.00 C ATOM 314 O ALA A 25 -9.901 12.590 13.881 1.00 0.00 O ATOM 315 CB ALA A 25 -10.940 10.264 11.888 1.00 0.00 C ATOM 0 H ALA A 25 -13.043 11.365 11.239 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.755 10.857 13.805 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -9.978 9.968 12.307 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -11.580 9.387 11.794 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.786 10.707 10.904 1.00 0.00 H new ATOM 321 N PHE A 26 -10.923 13.528 12.182 1.00 0.00 N ATOM 322 CA PHE A 26 -10.106 14.764 12.299 1.00 0.00 C ATOM 323 C PHE A 26 -10.448 15.513 13.588 1.00 0.00 C ATOM 324 O PHE A 26 -9.578 16.013 14.265 1.00 0.00 O ATOM 325 CB PHE A 26 -10.349 15.611 11.042 1.00 0.00 C ATOM 326 CG PHE A 26 -9.389 16.789 11.023 1.00 0.00 C ATOM 327 CD1 PHE A 26 -8.064 16.593 10.672 1.00 0.00 C ATOM 328 CD2 PHE A 26 -9.845 18.070 11.389 1.00 0.00 C ATOM 329 CE1 PHE A 26 -7.185 17.666 10.608 1.00 0.00 C ATOM 330 CE2 PHE A 26 -8.956 19.138 11.348 1.00 0.00 C ATOM 331 CZ PHE A 26 -7.655 18.939 10.941 1.00 0.00 C ATOM 0 H PHE A 26 -11.610 13.535 11.429 1.00 0.00 H new ATOM 0 HA PHE A 26 -9.044 14.525 12.361 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -10.210 15.002 10.149 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -11.379 15.969 11.026 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -7.711 15.597 10.446 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -10.869 18.220 11.697 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -6.158 17.519 10.307 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -9.286 20.125 11.636 1.00 0.00 H new ATOM 0 HZ PHE A 26 -6.985 19.784 10.878 1.00 0.00 H new ATOM 341 N ASP A 27 -11.707 15.607 13.925 1.00 0.00 N ATOM 342 CA ASP A 27 -12.105 16.340 15.161 1.00 0.00 C ATOM 343 C ASP A 27 -11.536 15.660 16.411 1.00 0.00 C ATOM 344 O ASP A 27 -11.282 16.308 17.398 1.00 0.00 O ATOM 345 CB ASP A 27 -13.641 16.591 15.040 1.00 0.00 C ATOM 346 CG ASP A 27 -14.581 15.728 15.877 1.00 0.00 C ATOM 347 OD1 ASP A 27 -14.396 14.550 16.154 1.00 0.00 O ATOM 348 OD2 ASP A 27 -15.674 16.412 16.284 1.00 0.00 O ATOM 0 H ASP A 27 -12.480 15.205 13.394 1.00 0.00 H new ATOM 0 HA ASP A 27 -11.663 17.330 15.277 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -13.829 17.634 15.297 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -13.917 16.465 13.993 1.00 0.00 H new ATOM 354 N MET A 28 -11.326 14.372 16.382 1.00 0.00 N ATOM 355 CA MET A 28 -10.764 13.682 17.579 1.00 0.00 C ATOM 356 C MET A 28 -9.363 14.208 17.855 1.00 0.00 C ATOM 357 O MET A 28 -9.060 14.639 18.945 1.00 0.00 O ATOM 358 CB MET A 28 -10.703 12.141 17.769 1.00 0.00 C ATOM 359 CG MET A 28 -10.672 11.268 16.534 1.00 0.00 C ATOM 360 SD MET A 28 -10.300 9.608 17.084 1.00 0.00 S ATOM 361 CE MET A 28 -11.990 9.078 17.282 1.00 0.00 C ATOM 0 H MET A 28 -11.519 13.768 15.583 1.00 0.00 H new ATOM 0 HA MET A 28 -11.570 13.935 18.268 1.00 0.00 H new ATOM 0 HB2 MET A 28 -9.816 11.913 18.360 1.00 0.00 H new ATOM 0 HB3 MET A 28 -11.567 11.845 18.364 1.00 0.00 H new ATOM 0 HG2 MET A 28 -11.630 11.298 16.015 1.00 0.00 H new ATOM 0 HG3 MET A 28 -9.918 11.620 15.830 1.00 0.00 H new ATOM 0 HE1 MET A 28 -12.009 8.044 17.628 1.00 0.00 H new ATOM 0 HE2 MET A 28 -12.488 9.714 18.014 1.00 0.00 H new ATOM 0 HE3 MET A 28 -12.508 9.151 16.326 1.00 0.00 H new ATOM 371 N PHE A 29 -8.516 14.200 16.864 1.00 0.00 N ATOM 372 CA PHE A 29 -7.138 14.728 17.048 1.00 0.00 C ATOM 373 C PHE A 29 -7.212 16.218 17.382 1.00 0.00 C ATOM 374 O PHE A 29 -6.350 16.761 18.038 1.00 0.00 O ATOM 375 CB PHE A 29 -6.321 14.442 15.763 1.00 0.00 C ATOM 376 CG PHE A 29 -5.615 13.090 15.765 1.00 0.00 C ATOM 377 CD1 PHE A 29 -4.383 13.015 16.401 1.00 0.00 C ATOM 378 CD2 PHE A 29 -6.187 11.944 15.224 1.00 0.00 C ATOM 379 CE1 PHE A 29 -3.693 11.801 16.465 1.00 0.00 C ATOM 380 CE2 PHE A 29 -5.497 10.726 15.289 1.00 0.00 C ATOM 381 CZ PHE A 29 -4.244 10.670 15.894 1.00 0.00 C ATOM 0 H PHE A 29 -8.722 13.848 15.929 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.632 14.236 17.879 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -6.988 14.491 14.902 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.577 15.229 15.635 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.955 13.900 16.849 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -7.159 11.992 14.756 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.734 11.747 16.958 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -5.936 9.832 14.871 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.700 9.737 15.917 1.00 0.00 H new ATOM 391 N ASP A 30 -8.255 16.869 16.941 1.00 0.00 N ATOM 392 CA ASP A 30 -8.441 18.320 17.223 1.00 0.00 C ATOM 393 C ASP A 30 -9.095 18.502 18.599 1.00 0.00 C ATOM 394 O ASP A 30 -10.008 19.286 18.763 1.00 0.00 O ATOM 395 CB ASP A 30 -9.300 18.860 16.033 1.00 0.00 C ATOM 396 CG ASP A 30 -9.248 20.338 15.668 1.00 0.00 C ATOM 397 OD1 ASP A 30 -9.944 20.829 14.786 1.00 0.00 O ATOM 398 OD2 ASP A 30 -8.352 21.051 16.397 1.00 0.00 O ATOM 0 H ASP A 30 -9.000 16.447 16.386 1.00 0.00 H new ATOM 0 HA ASP A 30 -7.508 18.880 17.282 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -9.015 18.296 15.145 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -10.340 18.615 16.246 1.00 0.00 H new ATOM 404 N ALA A 31 -8.635 17.779 19.583 1.00 0.00 N ATOM 405 CA ALA A 31 -9.219 17.888 20.952 1.00 0.00 C ATOM 406 C ALA A 31 -9.015 19.295 21.513 1.00 0.00 C ATOM 407 O ALA A 31 -9.809 19.783 22.235 1.00 0.00 O ATOM 408 CB ALA A 31 -8.547 16.815 21.834 1.00 0.00 C ATOM 0 H ALA A 31 -7.870 17.109 19.497 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.295 17.717 20.928 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.953 16.868 22.844 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.741 15.827 21.416 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.472 16.991 21.865 1.00 0.00 H new ATOM 414 N ASP A 32 -7.961 19.946 21.189 1.00 0.00 N ATOM 415 CA ASP A 32 -7.712 21.318 21.706 1.00 0.00 C ATOM 416 C ASP A 32 -8.366 22.300 20.890 1.00 0.00 C ATOM 417 O ASP A 32 -8.636 23.248 21.392 1.00 0.00 O ATOM 418 CB ASP A 32 -6.187 21.600 21.673 1.00 0.00 C ATOM 419 CG ASP A 32 -5.566 22.208 22.897 1.00 0.00 C ATOM 420 OD1 ASP A 32 -5.694 23.381 23.225 1.00 0.00 O ATOM 421 OD2 ASP A 32 -4.686 21.344 23.460 1.00 0.00 O ATOM 0 H ASP A 32 -7.233 19.587 20.571 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.102 21.379 22.722 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -5.676 20.659 21.469 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.986 22.261 20.830 1.00 0.00 H new ATOM 427 N GLY A 33 -8.625 22.082 19.640 1.00 0.00 N ATOM 428 CA GLY A 33 -9.264 23.004 18.799 1.00 0.00 C ATOM 429 C GLY A 33 -8.685 23.705 17.793 1.00 0.00 C ATOM 430 O GLY A 33 -7.849 23.796 17.896 1.00 0.00 O ATOM 0 H GLY A 33 -8.379 21.211 19.170 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.089 22.460 18.340 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.703 23.750 19.461 1.00 0.00 H new ATOM 434 N GLY A 34 -9.128 24.202 16.818 1.00 0.00 N ATOM 435 CA GLY A 34 -8.615 24.903 15.795 1.00 0.00 C ATOM 436 C GLY A 34 -8.915 24.302 14.457 1.00 0.00 C ATOM 437 O GLY A 34 -9.304 24.033 14.162 1.00 0.00 O ATOM 0 H GLY A 34 -10.132 24.108 16.665 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.009 25.919 15.826 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.535 24.976 15.919 1.00 0.00 H new ATOM 441 N GLY A 35 -8.734 24.092 13.644 1.00 0.00 N ATOM 442 CA GLY A 35 -9.003 23.508 12.320 1.00 0.00 C ATOM 443 C GLY A 35 -7.782 22.735 11.818 1.00 0.00 C ATOM 444 O GLY A 35 -7.741 22.290 10.771 1.00 0.00 O ATOM 0 HA2 GLY A 35 -9.864 22.842 12.378 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -9.257 24.297 11.613 1.00 0.00 H new ATOM 448 N ASP A 36 -6.791 22.574 12.554 1.00 0.00 N ATOM 449 CA ASP A 36 -5.572 21.832 12.124 1.00 0.00 C ATOM 450 C ASP A 36 -4.980 21.087 13.319 1.00 0.00 C ATOM 451 O ASP A 36 -5.271 21.390 14.457 1.00 0.00 O ATOM 452 CB ASP A 36 -4.460 22.862 11.631 1.00 0.00 C ATOM 453 CG ASP A 36 -4.808 24.341 11.546 1.00 0.00 C ATOM 454 OD1 ASP A 36 -4.762 25.102 12.505 1.00 0.00 O ATOM 455 OD2 ASP A 36 -5.416 24.629 10.368 1.00 0.00 O ATOM 0 H ASP A 36 -6.737 22.937 13.506 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.852 21.144 11.326 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.603 22.764 12.297 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -4.133 22.544 10.641 1.00 0.00 H new ATOM 461 N ILE A 37 -4.142 20.121 13.066 1.00 0.00 N ATOM 462 CA ILE A 37 -3.514 19.350 14.177 1.00 0.00 C ATOM 463 C ILE A 37 -2.078 19.841 14.377 1.00 0.00 C ATOM 464 O ILE A 37 -1.456 20.318 13.474 1.00 0.00 O ATOM 465 CB ILE A 37 -3.549 17.811 13.880 1.00 0.00 C ATOM 466 CG1 ILE A 37 -4.792 17.259 13.131 1.00 0.00 C ATOM 467 CG2 ILE A 37 -3.285 16.967 15.135 1.00 0.00 C ATOM 468 CD1 ILE A 37 -6.118 17.468 13.885 1.00 0.00 C ATOM 0 H ILE A 37 -3.862 19.830 12.129 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.079 19.514 15.095 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.728 17.708 13.170 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -4.860 17.741 12.156 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.652 16.193 12.951 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -3.320 15.909 14.876 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.301 17.210 15.536 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -4.046 17.182 15.885 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -6.939 17.056 13.298 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -6.072 16.962 14.849 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -6.283 18.534 14.042 1.00 0.00 H new ATOM 480 N SER A 38 -1.550 19.728 15.551 1.00 0.00 N ATOM 481 CA SER A 38 -0.153 20.190 15.804 1.00 0.00 C ATOM 482 C SER A 38 0.648 19.076 16.485 1.00 0.00 C ATOM 483 O SER A 38 0.128 18.024 16.785 1.00 0.00 O ATOM 484 CB SER A 38 -0.273 21.433 16.752 1.00 0.00 C ATOM 485 OG SER A 38 -0.220 22.648 16.015 1.00 0.00 O ATOM 0 H SER A 38 -2.025 19.332 16.362 1.00 0.00 H new ATOM 0 HA SER A 38 0.362 20.447 14.878 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.210 21.382 17.307 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.533 21.414 17.485 1.00 0.00 H new ATOM 0 HG SER A 38 -0.299 23.407 16.630 1.00 0.00 H new ATOM 491 N THR A 39 1.913 19.305 16.730 1.00 0.00 N ATOM 492 CA THR A 39 2.761 18.267 17.391 1.00 0.00 C ATOM 493 C THR A 39 2.302 18.060 18.834 1.00 0.00 C ATOM 494 O THR A 39 2.167 16.947 19.288 1.00 0.00 O ATOM 495 CB THR A 39 4.213 18.876 17.452 1.00 0.00 C ATOM 496 OG1 THR A 39 4.546 19.789 16.405 1.00 0.00 O ATOM 497 CG2 THR A 39 5.191 17.750 17.339 1.00 0.00 C ATOM 0 H THR A 39 2.398 20.172 16.499 1.00 0.00 H new ATOM 0 HA THR A 39 2.707 17.322 16.851 1.00 0.00 H new ATOM 0 HB THR A 39 4.251 19.430 18.390 1.00 0.00 H new ATOM 0 HG1 THR A 39 5.508 19.740 16.222 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.206 18.145 17.378 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.040 17.053 18.163 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.040 17.231 16.393 1.00 0.00 H new ATOM 505 N LYS A 40 2.063 19.124 19.556 1.00 0.00 N ATOM 506 CA LYS A 40 1.608 18.993 20.972 1.00 0.00 C ATOM 507 C LYS A 40 0.241 18.315 21.014 1.00 0.00 C ATOM 508 O LYS A 40 0.024 17.397 21.771 1.00 0.00 O ATOM 509 CB LYS A 40 1.630 20.040 22.031 1.00 0.00 C ATOM 510 CG LYS A 40 1.509 21.403 21.405 1.00 0.00 C ATOM 511 CD LYS A 40 2.477 22.251 22.199 1.00 0.00 C ATOM 512 CE LYS A 40 1.721 23.516 22.455 1.00 0.00 C ATOM 513 NZ LYS A 40 2.608 24.309 23.286 1.00 0.00 N ATOM 0 H LYS A 40 2.164 20.083 19.224 1.00 0.00 H new ATOM 0 HA LYS A 40 2.500 18.457 21.297 1.00 0.00 H new ATOM 0 HB2 LYS A 40 0.811 19.878 22.732 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.556 19.973 22.602 1.00 0.00 H new ATOM 0 HG2 LYS A 40 1.770 21.382 20.347 1.00 0.00 H new ATOM 0 HG3 LYS A 40 0.491 21.786 21.475 1.00 0.00 H new ATOM 0 HD2 LYS A 40 2.765 21.763 23.130 1.00 0.00 H new ATOM 0 HD3 LYS A 40 3.394 22.440 21.641 1.00 0.00 H new ATOM 0 HE2 LYS A 40 1.483 24.031 21.524 1.00 0.00 H new ATOM 0 HE3 LYS A 40 0.776 23.318 22.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.153 25.216 23.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 2.811 23.794 24.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 3.497 24.486 22.775 1.00 0.00 H new ATOM 526 N GLU A 41 -0.675 18.758 20.197 1.00 0.00 N ATOM 527 CA GLU A 41 -2.035 18.145 20.165 1.00 0.00 C ATOM 528 C GLU A 41 -1.934 16.659 19.805 1.00 0.00 C ATOM 529 O GLU A 41 -2.705 15.851 20.273 1.00 0.00 O ATOM 530 CB GLU A 41 -2.833 18.847 19.051 1.00 0.00 C ATOM 531 CG GLU A 41 -3.626 20.018 19.626 1.00 0.00 C ATOM 532 CD GLU A 41 -4.652 20.642 18.692 1.00 0.00 C ATOM 533 OE1 GLU A 41 -5.006 21.807 18.776 1.00 0.00 O ATOM 534 OE2 GLU A 41 -5.190 19.757 17.815 1.00 0.00 O ATOM 0 H GLU A 41 -0.538 19.528 19.542 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.512 18.252 21.139 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.154 19.204 18.277 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.511 18.137 18.577 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.140 19.678 20.525 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.923 20.793 19.934 1.00 0.00 H new ATOM 542 N LEU A 42 -0.986 16.299 18.977 1.00 0.00 N ATOM 543 CA LEU A 42 -0.822 14.872 18.579 1.00 0.00 C ATOM 544 C LEU A 42 -0.506 14.020 19.809 1.00 0.00 C ATOM 545 O LEU A 42 -1.189 13.058 20.088 1.00 0.00 O ATOM 546 CB LEU A 42 0.309 14.763 17.452 1.00 0.00 C ATOM 547 CG LEU A 42 -0.066 13.841 16.240 1.00 0.00 C ATOM 548 CD1 LEU A 42 -1.427 14.267 15.708 1.00 0.00 C ATOM 549 CD2 LEU A 42 0.602 13.774 14.848 1.00 0.00 C ATOM 0 H LEU A 42 -0.313 16.941 18.557 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.750 14.488 18.155 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.528 15.763 17.077 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.224 14.386 17.909 1.00 0.00 H new ATOM 0 HG LEU A 42 0.182 12.923 16.772 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.702 13.635 14.864 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.174 14.166 16.496 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.381 15.306 15.383 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.097 13.025 14.238 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.529 14.747 14.362 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.652 13.503 14.961 1.00 0.00 H new ATOM 561 N GLY A 43 0.528 14.368 20.536 1.00 0.00 N ATOM 562 CA GLY A 43 0.911 13.588 21.752 1.00 0.00 C ATOM 563 C GLY A 43 -0.265 13.499 22.724 1.00 0.00 C ATOM 564 O GLY A 43 -0.447 12.499 23.389 1.00 0.00 O ATOM 0 H GLY A 43 1.128 15.168 20.336 1.00 0.00 H new ATOM 0 HA2 GLY A 43 1.228 12.586 21.463 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.761 14.062 22.243 1.00 0.00 H new ATOM 568 N THR A 44 -1.067 14.530 22.809 1.00 0.00 N ATOM 569 CA THR A 44 -2.238 14.501 23.735 1.00 0.00 C ATOM 570 C THR A 44 -3.243 13.447 23.264 1.00 0.00 C ATOM 571 O THR A 44 -3.793 12.711 24.057 1.00 0.00 O ATOM 572 CB THR A 44 -2.919 15.917 23.779 1.00 0.00 C ATOM 573 OG1 THR A 44 -1.989 16.996 23.811 1.00 0.00 O ATOM 574 CG2 THR A 44 -3.791 16.119 25.020 1.00 0.00 C ATOM 0 H THR A 44 -0.960 15.393 22.275 1.00 0.00 H new ATOM 0 HA THR A 44 -1.897 14.243 24.738 1.00 0.00 H new ATOM 0 HB THR A 44 -3.507 15.930 22.861 1.00 0.00 H new ATOM 0 HG1 THR A 44 -1.507 17.038 22.959 1.00 0.00 H new ATOM 0 HG21 THR A 44 -4.235 17.114 24.995 1.00 0.00 H new ATOM 0 HG22 THR A 44 -4.582 15.369 25.035 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.178 16.017 25.916 1.00 0.00 H new ATOM 582 N VAL A 45 -3.480 13.370 21.980 1.00 0.00 N ATOM 583 CA VAL A 45 -4.446 12.364 21.444 1.00 0.00 C ATOM 584 C VAL A 45 -3.859 10.956 21.576 1.00 0.00 C ATOM 585 O VAL A 45 -4.580 10.007 21.781 1.00 0.00 O ATOM 586 CB VAL A 45 -4.806 12.717 19.974 1.00 0.00 C ATOM 587 CG1 VAL A 45 -5.883 11.765 19.390 1.00 0.00 C ATOM 588 CG2 VAL A 45 -5.302 14.175 19.844 1.00 0.00 C ATOM 0 H VAL A 45 -3.043 13.964 21.275 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.369 12.386 22.023 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.885 12.596 19.403 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.102 12.051 18.361 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.513 10.740 19.411 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.792 11.834 19.987 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.544 14.385 18.802 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.192 14.313 20.458 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.520 14.857 20.180 1.00 0.00 H new ATOM 598 N MET A 46 -2.559 10.811 21.471 1.00 0.00 N ATOM 599 CA MET A 46 -1.944 9.458 21.604 1.00 0.00 C ATOM 600 C MET A 46 -2.134 8.965 23.033 1.00 0.00 C ATOM 601 O MET A 46 -2.561 7.859 23.262 1.00 0.00 O ATOM 602 CB MET A 46 -0.463 9.514 21.200 1.00 0.00 C ATOM 603 CG MET A 46 -0.140 10.183 19.851 1.00 0.00 C ATOM 604 SD MET A 46 1.066 9.251 18.903 1.00 0.00 S ATOM 605 CE MET A 46 0.015 8.932 17.494 1.00 0.00 C ATOM 0 H MET A 46 -1.901 11.571 21.299 1.00 0.00 H new ATOM 0 HA MET A 46 -2.432 8.750 20.934 1.00 0.00 H new ATOM 0 HB2 MET A 46 0.083 10.042 21.981 1.00 0.00 H new ATOM 0 HB3 MET A 46 -0.078 8.495 21.175 1.00 0.00 H new ATOM 0 HG2 MET A 46 -1.056 10.285 19.270 1.00 0.00 H new ATOM 0 HG3 MET A 46 0.239 11.190 20.028 1.00 0.00 H new ATOM 0 HE1 MET A 46 0.565 8.351 16.754 1.00 0.00 H new ATOM 0 HE2 MET A 46 -0.864 8.372 17.815 1.00 0.00 H new ATOM 0 HE3 MET A 46 -0.299 9.878 17.053 1.00 0.00 H new ATOM 615 N ARG A 47 -1.827 9.789 23.995 1.00 0.00 N ATOM 616 CA ARG A 47 -1.993 9.396 25.421 1.00 0.00 C ATOM 617 C ARG A 47 -3.464 9.161 25.744 1.00 0.00 C ATOM 618 O ARG A 47 -3.773 8.474 26.686 1.00 0.00 O ATOM 619 CB ARG A 47 -1.502 10.498 26.331 1.00 0.00 C ATOM 620 CG ARG A 47 0.018 10.332 26.425 1.00 0.00 C ATOM 621 CD ARG A 47 0.702 11.678 26.295 1.00 0.00 C ATOM 622 NE ARG A 47 0.725 12.054 27.700 1.00 0.00 N ATOM 623 CZ ARG A 47 1.469 12.923 28.257 1.00 0.00 C ATOM 624 NH1 ARG A 47 2.360 13.655 27.722 1.00 0.00 N ATOM 625 NH2 ARG A 47 1.235 13.083 29.462 1.00 0.00 N ATOM 0 H ARG A 47 -1.463 10.731 23.851 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.418 8.483 25.578 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.762 11.478 25.931 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -1.963 10.423 27.316 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.282 9.872 27.377 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.367 9.662 25.640 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.700 11.604 25.862 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.139 12.380 25.680 1.00 0.00 H new ATOM 0 HE ARG A 47 0.069 11.565 28.309 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.548 13.581 26.722 1.00 0.00 H new ATOM 0 HH12 ARG A 47 2.887 14.316 28.293 1.00 0.00 H new ATOM 0 HH21 ARG A 47 0.500 12.540 29.915 1.00 0.00 H new ATOM 0 HH22 ARG A 47 1.777 13.758 30.002 1.00 0.00 H new ATOM 638 N MET A 48 -4.374 9.711 24.972 1.00 0.00 N ATOM 639 CA MET A 48 -5.818 9.493 25.247 1.00 0.00 C ATOM 640 C MET A 48 -6.126 8.015 25.108 1.00 0.00 C ATOM 641 O MET A 48 -6.911 7.473 25.839 1.00 0.00 O ATOM 642 CB MET A 48 -6.766 10.602 24.751 1.00 0.00 C ATOM 643 CG MET A 48 -7.073 10.647 23.247 1.00 0.00 C ATOM 644 SD MET A 48 -8.715 10.376 22.602 1.00 0.00 S ATOM 645 CE MET A 48 -9.666 11.393 23.703 1.00 0.00 C ATOM 0 H MET A 48 -4.171 10.301 24.165 1.00 0.00 H new ATOM 0 HA MET A 48 -6.084 9.681 26.287 1.00 0.00 H new ATOM 0 HB2 MET A 48 -7.711 10.502 25.285 1.00 0.00 H new ATOM 0 HB3 MET A 48 -6.339 11.563 25.037 1.00 0.00 H new ATOM 0 HG2 MET A 48 -6.755 11.627 22.892 1.00 0.00 H new ATOM 0 HG3 MET A 48 -6.425 9.910 22.773 1.00 0.00 H new ATOM 0 HE1 MET A 48 -10.590 11.697 23.211 1.00 0.00 H new ATOM 0 HE2 MET A 48 -9.903 10.829 24.605 1.00 0.00 H new ATOM 0 HE3 MET A 48 -9.089 12.279 23.970 1.00 0.00 H new ATOM 655 N LEU A 49 -5.491 7.361 24.186 1.00 0.00 N ATOM 656 CA LEU A 49 -5.713 5.917 24.003 1.00 0.00 C ATOM 657 C LEU A 49 -4.904 5.142 25.037 1.00 0.00 C ATOM 658 O LEU A 49 -5.284 4.076 25.446 1.00 0.00 O ATOM 659 CB LEU A 49 -5.260 5.659 22.555 1.00 0.00 C ATOM 660 CG LEU A 49 -5.734 4.269 22.077 1.00 0.00 C ATOM 661 CD1 LEU A 49 -6.775 4.429 20.967 1.00 0.00 C ATOM 662 CD2 LEU A 49 -4.511 3.442 21.681 1.00 0.00 C ATOM 0 H LEU A 49 -4.817 7.777 23.543 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.744 5.595 24.149 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.662 6.432 21.899 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.174 5.720 22.492 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.238 3.722 22.874 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -7.106 3.445 20.634 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -7.629 4.989 21.347 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -6.333 4.966 20.128 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.832 2.457 21.341 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.976 3.947 20.877 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.852 3.332 22.542 1.00 0.00 H new ATOM 674 N GLY A 50 -3.792 5.668 25.459 1.00 0.00 N ATOM 675 CA GLY A 50 -2.950 4.968 26.463 1.00 0.00 C ATOM 676 C GLY A 50 -1.516 4.830 25.967 1.00 0.00 C ATOM 677 O GLY A 50 -0.723 4.189 26.572 1.00 0.00 O ATOM 0 H GLY A 50 -3.425 6.567 25.146 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.963 5.520 27.403 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -3.365 3.981 26.667 1.00 0.00 H new ATOM 681 N GLN A 51 -1.174 5.424 24.878 1.00 0.00 N ATOM 682 CA GLN A 51 0.207 5.325 24.357 1.00 0.00 C ATOM 683 C GLN A 51 1.036 6.477 24.868 1.00 0.00 C ATOM 684 O GLN A 51 0.590 7.477 25.042 1.00 0.00 O ATOM 685 CB GLN A 51 0.157 5.304 22.807 1.00 0.00 C ATOM 686 CG GLN A 51 1.369 4.519 22.231 1.00 0.00 C ATOM 687 CD GLN A 51 1.945 5.032 20.924 1.00 0.00 C ATOM 688 OE1 GLN A 51 1.836 4.426 19.869 1.00 0.00 O ATOM 689 NE2 GLN A 51 2.622 6.144 20.949 1.00 0.00 N ATOM 0 H GLN A 51 -1.805 5.989 24.309 1.00 0.00 H new ATOM 0 HA GLN A 51 0.676 4.404 24.705 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -0.773 4.843 22.474 1.00 0.00 H new ATOM 0 HB3 GLN A 51 0.162 6.324 22.424 1.00 0.00 H new ATOM 0 HG2 GLN A 51 2.163 4.520 22.978 1.00 0.00 H new ATOM 0 HG3 GLN A 51 1.067 3.481 22.088 1.00 0.00 H new ATOM 0 HE21 GLN A 51 2.722 6.661 21.823 1.00 0.00 H new ATOM 0 HE22 GLN A 51 3.053 6.498 20.095 1.00 0.00 H new ATOM 698 N ASN A 52 2.238 6.343 25.107 1.00 0.00 N ATOM 699 CA ASN A 52 3.100 7.430 25.608 1.00 0.00 C ATOM 700 C ASN A 52 4.242 7.686 24.640 1.00 0.00 C ATOM 701 O ASN A 52 5.340 7.250 24.859 1.00 0.00 O ATOM 702 CB ASN A 52 3.605 6.883 27.004 1.00 0.00 C ATOM 703 CG ASN A 52 3.245 7.761 28.192 1.00 0.00 C ATOM 704 OD1 ASN A 52 2.128 8.231 28.351 1.00 0.00 O ATOM 705 ND2 ASN A 52 4.173 7.998 29.078 1.00 0.00 N ATOM 0 H ASN A 52 2.733 5.461 24.975 1.00 0.00 H new ATOM 0 HA ASN A 52 2.590 8.388 25.707 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.187 5.889 27.163 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.689 6.771 26.966 1.00 0.00 H new ATOM 0 HD21 ASN A 52 3.963 8.571 29.895 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.108 7.610 28.954 1.00 0.00 H new ATOM 712 N PRO A 53 3.946 8.388 23.591 1.00 0.00 N ATOM 713 CA PRO A 53 4.928 8.721 22.566 1.00 0.00 C ATOM 714 C PRO A 53 5.832 9.856 23.015 1.00 0.00 C ATOM 715 O PRO A 53 5.600 10.465 24.027 1.00 0.00 O ATOM 716 CB PRO A 53 4.116 9.172 21.336 1.00 0.00 C ATOM 717 CG PRO A 53 2.803 9.662 21.902 1.00 0.00 C ATOM 718 CD PRO A 53 2.625 8.995 23.254 1.00 0.00 C ATOM 0 HA PRO A 53 5.567 7.864 22.354 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.631 9.962 20.789 1.00 0.00 H new ATOM 0 HB3 PRO A 53 3.964 8.349 20.638 1.00 0.00 H new ATOM 0 HG2 PRO A 53 2.809 10.747 22.005 1.00 0.00 H new ATOM 0 HG3 PRO A 53 1.978 9.410 21.236 1.00 0.00 H new ATOM 0 HD2 PRO A 53 2.325 9.720 24.010 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.845 8.235 23.214 1.00 0.00 H new ATOM 726 N THR A 54 6.859 10.141 22.269 1.00 0.00 N ATOM 727 CA THR A 54 7.781 11.233 22.646 1.00 0.00 C ATOM 728 C THR A 54 7.428 12.496 21.882 1.00 0.00 C ATOM 729 O THR A 54 6.869 12.458 20.821 1.00 0.00 O ATOM 730 CB THR A 54 9.322 10.993 22.405 1.00 0.00 C ATOM 731 OG1 THR A 54 9.490 10.222 21.269 1.00 0.00 O ATOM 732 CG2 THR A 54 10.213 10.254 23.388 1.00 0.00 C ATOM 0 H THR A 54 7.098 9.655 21.404 1.00 0.00 H new ATOM 0 HA THR A 54 7.639 11.302 23.724 1.00 0.00 H new ATOM 0 HB THR A 54 9.636 12.037 22.430 1.00 0.00 H new ATOM 0 HG1 THR A 54 10.090 9.473 21.468 1.00 0.00 H new ATOM 0 HG21 THR A 54 11.231 10.218 23.000 1.00 0.00 H new ATOM 0 HG22 THR A 54 10.208 10.774 24.346 1.00 0.00 H new ATOM 0 HG23 THR A 54 9.840 9.239 23.525 1.00 0.00 H new ATOM 740 N LYS A 55 7.755 13.614 22.419 1.00 0.00 N ATOM 741 CA LYS A 55 7.448 14.892 21.737 1.00 0.00 C ATOM 742 C LYS A 55 8.306 15.045 20.498 1.00 0.00 C ATOM 743 O LYS A 55 7.817 15.363 19.441 1.00 0.00 O ATOM 744 CB LYS A 55 7.702 16.067 22.658 1.00 0.00 C ATOM 745 CG LYS A 55 6.539 16.131 23.625 1.00 0.00 C ATOM 746 CD LYS A 55 7.050 16.834 24.855 1.00 0.00 C ATOM 747 CE LYS A 55 5.846 17.028 25.745 1.00 0.00 C ATOM 748 NZ LYS A 55 6.360 17.755 26.900 1.00 0.00 N ATOM 0 H LYS A 55 8.230 13.708 23.317 1.00 0.00 H new ATOM 0 HA LYS A 55 6.395 14.877 21.456 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.643 15.941 23.194 1.00 0.00 H new ATOM 0 HB3 LYS A 55 7.782 16.993 22.089 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.700 16.672 23.188 1.00 0.00 H new ATOM 0 HG3 LYS A 55 6.181 15.131 23.869 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.815 16.241 25.356 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.505 17.791 24.598 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.064 17.592 25.237 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.411 16.073 26.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.586 17.932 27.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.099 17.190 27.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.762 18.662 26.588 1.00 0.00 H new ATOM 761 N GLU A 56 9.580 14.817 20.622 1.00 0.00 N ATOM 762 CA GLU A 56 10.479 14.942 19.453 1.00 0.00 C ATOM 763 C GLU A 56 10.163 13.862 18.435 1.00 0.00 C ATOM 764 O GLU A 56 10.340 14.055 17.258 1.00 0.00 O ATOM 765 CB GLU A 56 11.949 14.848 19.957 1.00 0.00 C ATOM 766 CG GLU A 56 12.342 13.483 20.603 1.00 0.00 C ATOM 767 CD GLU A 56 13.786 13.359 21.028 1.00 0.00 C ATOM 768 OE1 GLU A 56 14.220 13.808 22.081 1.00 0.00 O ATOM 769 OE2 GLU A 56 14.520 12.676 20.106 1.00 0.00 O ATOM 0 H GLU A 56 10.039 14.547 21.492 1.00 0.00 H new ATOM 0 HA GLU A 56 10.335 15.902 18.957 1.00 0.00 H new ATOM 0 HB2 GLU A 56 12.617 15.041 19.118 1.00 0.00 H new ATOM 0 HB3 GLU A 56 12.118 15.640 20.687 1.00 0.00 H new ATOM 0 HG2 GLU A 56 11.709 13.317 21.475 1.00 0.00 H new ATOM 0 HG3 GLU A 56 12.121 12.687 19.892 1.00 0.00 H new ATOM 777 N GLU A 57 9.685 12.735 18.877 1.00 0.00 N ATOM 778 CA GLU A 57 9.344 11.648 17.939 1.00 0.00 C ATOM 779 C GLU A 57 8.111 12.048 17.145 1.00 0.00 C ATOM 780 O GLU A 57 8.048 11.871 15.951 1.00 0.00 O ATOM 781 CB GLU A 57 9.280 10.287 18.567 1.00 0.00 C ATOM 782 CG GLU A 57 9.340 9.148 17.553 1.00 0.00 C ATOM 783 CD GLU A 57 9.538 7.826 18.264 1.00 0.00 C ATOM 784 OE1 GLU A 57 10.456 7.594 19.044 1.00 0.00 O ATOM 785 OE2 GLU A 57 8.544 6.962 17.953 1.00 0.00 O ATOM 0 H GLU A 57 9.516 12.524 19.861 1.00 0.00 H new ATOM 0 HA GLU A 57 10.168 11.526 17.236 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.105 10.181 19.271 1.00 0.00 H new ATOM 0 HB3 GLU A 57 8.358 10.203 19.142 1.00 0.00 H new ATOM 0 HG2 GLU A 57 8.420 9.121 16.970 1.00 0.00 H new ATOM 0 HG3 GLU A 57 10.157 9.318 16.852 1.00 0.00 H new ATOM 793 N LEU A 58 7.138 12.597 17.809 1.00 0.00 N ATOM 794 CA LEU A 58 5.900 13.031 17.121 1.00 0.00 C ATOM 795 C LEU A 58 6.200 14.217 16.209 1.00 0.00 C ATOM 796 O LEU A 58 5.595 14.378 15.174 1.00 0.00 O ATOM 797 CB LEU A 58 4.861 13.394 18.191 1.00 0.00 C ATOM 798 CG LEU A 58 3.865 12.244 18.358 1.00 0.00 C ATOM 799 CD1 LEU A 58 3.052 12.567 19.584 1.00 0.00 C ATOM 800 CD2 LEU A 58 2.945 12.149 17.125 1.00 0.00 C ATOM 0 H LEU A 58 7.150 12.765 18.815 1.00 0.00 H new ATOM 0 HA LEU A 58 5.505 12.231 16.495 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.358 13.597 19.139 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.334 14.305 17.906 1.00 0.00 H new ATOM 0 HG LEU A 58 4.379 11.288 18.459 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.320 11.777 19.754 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.712 12.643 20.448 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.535 13.515 19.438 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.242 11.327 17.258 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.394 13.082 17.009 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.548 11.971 16.234 1.00 0.00 H new ATOM 812 N ASP A 59 7.140 15.038 16.583 1.00 0.00 N ATOM 813 CA ASP A 59 7.507 16.209 15.742 1.00 0.00 C ATOM 814 C ASP A 59 8.045 15.718 14.399 1.00 0.00 C ATOM 815 O ASP A 59 7.792 16.309 13.372 1.00 0.00 O ATOM 816 CB ASP A 59 8.574 17.046 16.508 1.00 0.00 C ATOM 817 CG ASP A 59 8.854 18.403 15.877 1.00 0.00 C ATOM 818 OD1 ASP A 59 9.834 18.643 15.182 1.00 0.00 O ATOM 819 OD2 ASP A 59 7.852 19.288 16.122 1.00 0.00 O ATOM 0 H ASP A 59 7.676 14.946 17.446 1.00 0.00 H new ATOM 0 HA ASP A 59 6.638 16.837 15.546 1.00 0.00 H new ATOM 0 HB2 ASP A 59 8.239 17.194 17.534 1.00 0.00 H new ATOM 0 HB3 ASP A 59 9.503 16.478 16.555 1.00 0.00 H new ATOM 825 N ALA A 60 8.770 14.630 14.405 1.00 0.00 N ATOM 826 CA ALA A 60 9.311 14.079 13.131 1.00 0.00 C ATOM 827 C ALA A 60 8.162 13.501 12.313 1.00 0.00 C ATOM 828 O ALA A 60 8.158 13.569 11.101 1.00 0.00 O ATOM 829 CB ALA A 60 10.364 13.010 13.485 1.00 0.00 C ATOM 0 H ALA A 60 9.011 14.099 15.242 1.00 0.00 H new ATOM 0 HA ALA A 60 9.788 14.852 12.528 1.00 0.00 H new ATOM 0 HB1 ALA A 60 10.777 12.589 12.569 1.00 0.00 H new ATOM 0 HB2 ALA A 60 11.164 13.466 14.068 1.00 0.00 H new ATOM 0 HB3 ALA A 60 9.896 12.218 14.069 1.00 0.00 H new ATOM 835 N ILE A 61 7.182 12.947 12.977 1.00 0.00 N ATOM 836 CA ILE A 61 6.006 12.371 12.273 1.00 0.00 C ATOM 837 C ILE A 61 5.309 13.466 11.454 1.00 0.00 C ATOM 838 O ILE A 61 4.780 13.209 10.393 1.00 0.00 O ATOM 839 CB ILE A 61 5.011 11.678 13.291 1.00 0.00 C ATOM 840 CG1 ILE A 61 5.544 10.288 13.734 1.00 0.00 C ATOM 841 CG2 ILE A 61 3.534 11.533 12.803 1.00 0.00 C ATOM 842 CD1 ILE A 61 4.952 9.742 15.046 1.00 0.00 C ATOM 0 H ILE A 61 7.149 12.870 13.994 1.00 0.00 H new ATOM 0 HA ILE A 61 6.348 11.594 11.590 1.00 0.00 H new ATOM 0 HB ILE A 61 4.978 12.369 14.133 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.344 9.570 12.938 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.627 10.350 13.842 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.941 11.046 13.577 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.120 12.520 12.596 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.508 10.932 11.894 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.390 8.768 15.265 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.175 10.431 15.860 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.872 9.639 14.943 1.00 0.00 H new ATOM 854 N ILE A 62 5.315 14.682 11.937 1.00 0.00 N ATOM 855 CA ILE A 62 4.663 15.797 11.190 1.00 0.00 C ATOM 856 C ILE A 62 5.610 16.307 10.118 1.00 0.00 C ATOM 857 O ILE A 62 5.188 16.706 9.066 1.00 0.00 O ATOM 858 CB ILE A 62 4.216 16.936 12.153 1.00 0.00 C ATOM 859 CG1 ILE A 62 3.349 16.376 13.309 1.00 0.00 C ATOM 860 CG2 ILE A 62 3.465 18.032 11.361 1.00 0.00 C ATOM 861 CD1 ILE A 62 2.667 17.398 14.195 1.00 0.00 C ATOM 0 H ILE A 62 5.746 14.951 12.821 1.00 0.00 H new ATOM 0 HA ILE A 62 3.760 15.423 10.708 1.00 0.00 H new ATOM 0 HB ILE A 62 5.102 17.385 12.602 1.00 0.00 H new ATOM 0 HG12 ILE A 62 2.583 15.730 12.880 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.981 15.747 13.936 1.00 0.00 H new ATOM 0 HG21 ILE A 62 3.156 18.825 12.042 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.124 18.445 10.598 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.585 17.599 10.885 1.00 0.00 H new ATOM 0 HD11 ILE A 62 2.091 16.885 14.965 1.00 0.00 H new ATOM 0 HD12 ILE A 62 3.419 18.031 14.666 1.00 0.00 H new ATOM 0 HD13 ILE A 62 1.999 18.014 13.593 1.00 0.00 H new ATOM 873 N GLU A 63 6.887 16.289 10.378 1.00 0.00 N ATOM 874 CA GLU A 63 7.877 16.762 9.379 1.00 0.00 C ATOM 875 C GLU A 63 7.713 15.998 8.080 1.00 0.00 C ATOM 876 O GLU A 63 7.789 16.556 7.016 1.00 0.00 O ATOM 877 CB GLU A 63 9.310 16.621 9.948 1.00 0.00 C ATOM 878 CG GLU A 63 10.015 17.979 10.072 1.00 0.00 C ATOM 879 CD GLU A 63 11.489 17.810 10.404 1.00 0.00 C ATOM 880 OE1 GLU A 63 11.895 17.465 11.508 1.00 0.00 O ATOM 881 OE2 GLU A 63 12.288 18.027 9.320 1.00 0.00 O ATOM 0 H GLU A 63 7.290 15.961 11.256 1.00 0.00 H new ATOM 0 HA GLU A 63 7.704 17.817 9.167 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.266 16.144 10.927 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.894 15.967 9.301 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.912 18.531 9.138 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.531 18.572 10.848 1.00 0.00 H new ATOM 889 N GLU A 64 7.482 14.727 8.162 1.00 0.00 N ATOM 890 CA GLU A 64 7.301 13.916 6.939 1.00 0.00 C ATOM 891 C GLU A 64 6.021 14.340 6.223 1.00 0.00 C ATOM 892 O GLU A 64 5.964 14.368 5.015 1.00 0.00 O ATOM 893 CB GLU A 64 7.291 12.435 7.371 1.00 0.00 C ATOM 894 CG GLU A 64 8.261 11.669 6.459 1.00 0.00 C ATOM 895 CD GLU A 64 7.781 10.299 6.065 1.00 0.00 C ATOM 896 OE1 GLU A 64 6.684 10.079 5.560 1.00 0.00 O ATOM 897 OE2 GLU A 64 8.766 9.383 6.200 1.00 0.00 O ATOM 0 H GLU A 64 7.410 14.208 9.037 1.00 0.00 H new ATOM 0 HA GLU A 64 8.110 14.066 6.224 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.593 12.340 8.414 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.286 12.021 7.291 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.434 12.255 5.556 1.00 0.00 H new ATOM 0 HG3 GLU A 64 9.221 11.574 6.966 1.00 0.00 H new ATOM 905 N VAL A 65 4.997 14.669 6.966 1.00 0.00 N ATOM 906 CA VAL A 65 3.713 15.098 6.345 1.00 0.00 C ATOM 907 C VAL A 65 3.871 16.480 5.714 1.00 0.00 C ATOM 908 O VAL A 65 3.255 16.778 4.722 1.00 0.00 O ATOM 909 CB VAL A 65 2.595 15.042 7.442 1.00 0.00 C ATOM 910 CG1 VAL A 65 1.243 15.454 6.863 1.00 0.00 C ATOM 911 CG2 VAL A 65 2.361 13.666 8.094 1.00 0.00 C ATOM 0 H VAL A 65 4.997 14.658 7.986 1.00 0.00 H new ATOM 0 HA VAL A 65 3.423 14.429 5.535 1.00 0.00 H new ATOM 0 HB VAL A 65 2.971 15.725 8.204 1.00 0.00 H new ATOM 0 HG11 VAL A 65 0.483 15.407 7.643 1.00 0.00 H new ATOM 0 HG12 VAL A 65 1.307 16.472 6.479 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.973 14.777 6.053 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.567 13.745 8.836 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.072 12.945 7.329 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.279 13.332 8.579 1.00 0.00 H new ATOM 921 N ASP A 66 4.682 17.321 6.285 1.00 0.00 N ATOM 922 CA ASP A 66 4.883 18.684 5.728 1.00 0.00 C ATOM 923 C ASP A 66 5.682 18.620 4.429 1.00 0.00 C ATOM 924 O ASP A 66 6.779 19.071 4.345 1.00 0.00 O ATOM 925 CB ASP A 66 5.716 19.486 6.745 1.00 0.00 C ATOM 926 CG ASP A 66 4.962 19.856 7.961 1.00 0.00 C ATOM 927 OD1 ASP A 66 3.771 20.153 7.949 1.00 0.00 O ATOM 928 OD2 ASP A 66 5.785 19.997 9.023 1.00 0.00 O ATOM 0 H ASP A 66 5.222 17.119 7.126 1.00 0.00 H new ATOM 0 HA ASP A 66 3.913 19.142 5.536 1.00 0.00 H new ATOM 0 HB2 ASP A 66 6.588 18.899 7.032 1.00 0.00 H new ATOM 0 HB3 ASP A 66 6.086 20.393 6.266 1.00 0.00 H new ATOM 934 N GLU A 67 5.127 18.062 3.415 1.00 0.00 N ATOM 935 CA GLU A 67 5.822 17.960 2.106 1.00 0.00 C ATOM 936 C GLU A 67 6.079 19.330 1.543 1.00 0.00 C ATOM 937 O GLU A 67 7.124 19.604 1.026 1.00 0.00 O ATOM 938 CB GLU A 67 5.007 17.061 1.137 1.00 0.00 C ATOM 939 CG GLU A 67 5.964 15.984 0.590 1.00 0.00 C ATOM 940 CD GLU A 67 5.405 14.955 -0.367 1.00 0.00 C ATOM 941 OE1 GLU A 67 5.944 14.684 -1.433 1.00 0.00 O ATOM 942 OE2 GLU A 67 4.267 14.369 0.102 1.00 0.00 O ATOM 0 H GLU A 67 4.191 17.656 3.429 1.00 0.00 H new ATOM 0 HA GLU A 67 6.794 17.486 2.245 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.167 16.600 1.657 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.591 17.654 0.322 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.787 16.493 0.089 1.00 0.00 H new ATOM 0 HG3 GLU A 67 6.389 15.452 1.441 1.00 0.00 H new ATOM 950 N ASP A 68 5.134 20.189 1.646 1.00 0.00 N ATOM 951 CA ASP A 68 5.315 21.545 1.126 1.00 0.00 C ATOM 952 C ASP A 68 6.086 22.367 2.117 1.00 0.00 C ATOM 953 O ASP A 68 6.872 23.182 1.754 1.00 0.00 O ATOM 954 CB ASP A 68 3.883 22.199 1.103 1.00 0.00 C ATOM 955 CG ASP A 68 3.275 22.459 -0.249 1.00 0.00 C ATOM 956 OD1 ASP A 68 3.905 22.752 -1.257 1.00 0.00 O ATOM 957 OD2 ASP A 68 1.922 22.374 -0.173 1.00 0.00 O ATOM 0 H ASP A 68 4.227 20.007 2.076 1.00 0.00 H new ATOM 0 HA ASP A 68 5.817 21.510 0.159 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.206 21.552 1.661 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.934 23.146 1.640 1.00 0.00 H new ATOM 963 N GLY A 69 5.869 22.157 3.361 1.00 0.00 N ATOM 964 CA GLY A 69 6.586 22.921 4.376 1.00 0.00 C ATOM 965 C GLY A 69 5.657 23.706 5.226 1.00 0.00 C ATOM 966 O GLY A 69 5.789 24.853 5.362 1.00 0.00 O ATOM 0 H GLY A 69 5.208 21.471 3.725 1.00 0.00 H new ATOM 0 HA2 GLY A 69 7.166 22.242 5.001 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.295 23.594 3.893 1.00 0.00 H new ATOM 970 N SER A 70 4.718 23.095 5.798 1.00 0.00 N ATOM 971 CA SER A 70 3.774 23.798 6.642 1.00 0.00 C ATOM 972 C SER A 70 4.237 23.776 8.090 1.00 0.00 C ATOM 973 O SER A 70 4.377 24.686 8.675 1.00 0.00 O ATOM 974 CB SER A 70 2.376 23.106 6.456 1.00 0.00 C ATOM 975 OG SER A 70 1.319 24.065 6.420 1.00 0.00 O ATOM 0 H SER A 70 4.552 22.092 5.716 1.00 0.00 H new ATOM 0 HA SER A 70 3.700 24.849 6.361 1.00 0.00 H new ATOM 0 HB2 SER A 70 2.375 22.527 5.532 1.00 0.00 H new ATOM 0 HB3 SER A 70 2.205 22.404 7.272 1.00 0.00 H new ATOM 0 HG SER A 70 0.480 23.638 6.693 1.00 0.00 H new ATOM 981 N GLY A 71 4.470 22.744 8.669 1.00 0.00 N ATOM 982 CA GLY A 71 4.920 22.652 10.081 1.00 0.00 C ATOM 983 C GLY A 71 3.938 21.807 10.881 1.00 0.00 C ATOM 984 O GLY A 71 4.309 20.838 11.493 1.00 0.00 O ATOM 0 H GLY A 71 4.373 21.832 8.222 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.916 22.210 10.127 1.00 0.00 H new ATOM 0 HA3 GLY A 71 4.993 23.649 10.515 1.00 0.00 H new ATOM 988 N THR A 72 2.690 22.168 10.872 1.00 0.00 N ATOM 989 CA THR A 72 1.661 21.395 11.620 1.00 0.00 C ATOM 990 C THR A 72 0.810 20.594 10.625 1.00 0.00 C ATOM 991 O THR A 72 1.034 20.646 9.431 1.00 0.00 O ATOM 992 CB THR A 72 0.832 22.453 12.437 1.00 0.00 C ATOM 993 OG1 THR A 72 0.210 23.440 11.613 1.00 0.00 O ATOM 994 CG2 THR A 72 1.612 23.183 13.536 1.00 0.00 C ATOM 0 H THR A 72 2.331 22.980 10.370 1.00 0.00 H new ATOM 0 HA THR A 72 2.086 20.665 12.308 1.00 0.00 H new ATOM 0 HB THR A 72 0.076 21.830 12.915 1.00 0.00 H new ATOM 0 HG1 THR A 72 -0.291 24.067 12.175 1.00 0.00 H new ATOM 0 HG21 THR A 72 0.954 23.890 14.041 1.00 0.00 H new ATOM 0 HG22 THR A 72 1.988 22.458 14.258 1.00 0.00 H new ATOM 0 HG23 THR A 72 2.450 23.721 13.092 1.00 0.00 H new ATOM 1002 N ILE A 73 -0.168 19.860 11.095 1.00 0.00 N ATOM 1003 CA ILE A 73 -1.023 19.072 10.155 1.00 0.00 C ATOM 1004 C ILE A 73 -2.304 19.852 9.864 1.00 0.00 C ATOM 1005 O ILE A 73 -2.927 20.393 10.751 1.00 0.00 O ATOM 1006 CB ILE A 73 -1.395 17.639 10.660 1.00 0.00 C ATOM 1007 CG1 ILE A 73 -0.249 16.987 11.456 1.00 0.00 C ATOM 1008 CG2 ILE A 73 -1.826 16.704 9.501 1.00 0.00 C ATOM 1009 CD1 ILE A 73 -0.553 15.664 12.114 1.00 0.00 C ATOM 0 H ILE A 73 -0.410 19.773 12.082 1.00 0.00 H new ATOM 0 HA ILE A 73 -0.426 18.928 9.254 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.245 17.772 11.329 1.00 0.00 H new ATOM 0 HG12 ILE A 73 0.597 16.847 10.783 1.00 0.00 H new ATOM 0 HG13 ILE A 73 0.071 17.686 12.228 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.075 15.721 9.900 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.699 17.124 9.000 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.008 16.609 8.787 1.00 0.00 H new ATOM 0 HD11 ILE A 73 0.332 15.309 12.642 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.372 15.789 12.822 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.838 14.937 11.354 1.00 0.00 H new ATOM 1021 N ASP A 74 -2.694 19.901 8.625 1.00 0.00 N ATOM 1022 CA ASP A 74 -3.936 20.635 8.238 1.00 0.00 C ATOM 1023 C ASP A 74 -5.055 19.634 7.934 1.00 0.00 C ATOM 1024 O ASP A 74 -4.847 18.436 7.937 1.00 0.00 O ATOM 1025 CB ASP A 74 -3.607 21.544 7.009 1.00 0.00 C ATOM 1026 CG ASP A 74 -2.564 22.644 7.184 1.00 0.00 C ATOM 1027 OD1 ASP A 74 -1.360 22.446 7.305 1.00 0.00 O ATOM 1028 OD2 ASP A 74 -3.117 23.879 7.102 1.00 0.00 O ATOM 0 H ASP A 74 -2.201 19.459 7.849 1.00 0.00 H new ATOM 0 HA ASP A 74 -4.286 21.268 9.053 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -3.276 20.898 6.196 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -4.535 22.014 6.685 1.00 0.00 H new ATOM 1034 N PHE A 75 -6.238 20.120 7.651 1.00 0.00 N ATOM 1035 CA PHE A 75 -7.369 19.202 7.320 1.00 0.00 C ATOM 1036 C PHE A 75 -7.119 18.587 5.945 1.00 0.00 C ATOM 1037 O PHE A 75 -7.213 17.391 5.771 1.00 0.00 O ATOM 1038 CB PHE A 75 -8.729 19.961 7.388 1.00 0.00 C ATOM 1039 CG PHE A 75 -9.946 19.044 7.175 1.00 0.00 C ATOM 1040 CD1 PHE A 75 -10.072 17.883 7.913 1.00 0.00 C ATOM 1041 CD2 PHE A 75 -10.898 19.302 6.164 1.00 0.00 C ATOM 1042 CE1 PHE A 75 -11.084 16.973 7.705 1.00 0.00 C ATOM 1043 CE2 PHE A 75 -11.943 18.411 5.975 1.00 0.00 C ATOM 1044 CZ PHE A 75 -12.047 17.249 6.722 1.00 0.00 C ATOM 0 H PHE A 75 -6.469 21.113 7.635 1.00 0.00 H new ATOM 0 HA PHE A 75 -7.425 18.397 8.052 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.816 20.451 8.358 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -8.737 20.747 6.632 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -9.346 17.681 8.686 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -10.813 20.183 5.545 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -11.136 16.065 8.287 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -12.693 18.628 5.229 1.00 0.00 H new ATOM 0 HZ PHE A 75 -12.862 16.562 6.549 1.00 0.00 H new ATOM 1054 N GLU A 76 -6.778 19.397 4.973 1.00 0.00 N ATOM 1055 CA GLU A 76 -6.493 18.857 3.611 1.00 0.00 C ATOM 1056 C GLU A 76 -5.215 18.011 3.660 1.00 0.00 C ATOM 1057 O GLU A 76 -5.024 17.129 2.846 1.00 0.00 O ATOM 1058 CB GLU A 76 -6.163 19.904 2.524 1.00 0.00 C ATOM 1059 CG GLU A 76 -7.124 21.085 2.520 1.00 0.00 C ATOM 1060 CD GLU A 76 -6.861 22.068 1.408 1.00 0.00 C ATOM 1061 OE1 GLU A 76 -6.763 21.768 0.223 1.00 0.00 O ATOM 1062 OE2 GLU A 76 -6.819 23.335 1.884 1.00 0.00 O ATOM 0 H GLU A 76 -6.685 20.409 5.066 1.00 0.00 H new ATOM 0 HA GLU A 76 -7.413 18.333 3.352 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.148 20.270 2.677 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.184 19.423 1.546 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.145 20.713 2.432 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.055 21.603 3.477 1.00 0.00 H new ATOM 1070 N GLU A 77 -4.365 18.239 4.638 1.00 0.00 N ATOM 1071 CA GLU A 77 -3.133 17.412 4.774 1.00 0.00 C ATOM 1072 C GLU A 77 -3.581 16.042 5.265 1.00 0.00 C ATOM 1073 O GLU A 77 -3.067 15.018 4.868 1.00 0.00 O ATOM 1074 CB GLU A 77 -2.219 18.077 5.805 1.00 0.00 C ATOM 1075 CG GLU A 77 -0.763 17.879 5.410 1.00 0.00 C ATOM 1076 CD GLU A 77 -0.005 19.112 4.983 1.00 0.00 C ATOM 1077 OE1 GLU A 77 -0.511 20.131 4.522 1.00 0.00 O ATOM 1078 OE2 GLU A 77 1.324 18.900 5.067 1.00 0.00 O ATOM 0 H GLU A 77 -4.477 18.965 5.346 1.00 0.00 H new ATOM 0 HA GLU A 77 -2.589 17.319 3.834 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -2.445 19.141 5.872 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -2.398 17.650 6.792 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -0.239 17.432 6.255 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -0.726 17.157 4.594 1.00 0.00 H new ATOM 1086 N PHE A 78 -4.574 16.040 6.114 1.00 0.00 N ATOM 1087 CA PHE A 78 -5.140 14.782 6.649 1.00 0.00 C ATOM 1088 C PHE A 78 -5.854 14.036 5.513 1.00 0.00 C ATOM 1089 O PHE A 78 -5.835 12.825 5.452 1.00 0.00 O ATOM 1090 CB PHE A 78 -6.071 15.134 7.849 1.00 0.00 C ATOM 1091 CG PHE A 78 -6.936 13.967 8.343 1.00 0.00 C ATOM 1092 CD1 PHE A 78 -6.370 12.909 9.052 1.00 0.00 C ATOM 1093 CD2 PHE A 78 -8.281 13.896 7.950 1.00 0.00 C ATOM 1094 CE1 PHE A 78 -7.129 11.784 9.366 1.00 0.00 C ATOM 1095 CE2 PHE A 78 -9.033 12.782 8.293 1.00 0.00 C ATOM 1096 CZ PHE A 78 -8.468 11.724 8.982 1.00 0.00 C ATOM 0 H PHE A 78 -5.024 16.886 6.464 1.00 0.00 H new ATOM 0 HA PHE A 78 -4.368 14.112 7.026 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -5.458 15.492 8.676 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -6.724 15.957 7.557 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -5.336 12.962 9.360 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -8.727 14.702 7.385 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -6.682 10.962 9.905 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -10.076 12.740 8.018 1.00 0.00 H new ATOM 0 HZ PHE A 78 -9.062 10.854 9.222 1.00 0.00 H new ATOM 1106 N LEU A 79 -6.475 14.759 4.610 1.00 0.00 N ATOM 1107 CA LEU A 79 -7.185 14.103 3.470 1.00 0.00 C ATOM 1108 C LEU A 79 -6.161 13.512 2.501 1.00 0.00 C ATOM 1109 O LEU A 79 -6.255 12.363 2.126 1.00 0.00 O ATOM 1110 CB LEU A 79 -8.098 15.155 2.791 1.00 0.00 C ATOM 1111 CG LEU A 79 -9.205 15.792 3.669 1.00 0.00 C ATOM 1112 CD1 LEU A 79 -9.924 16.918 2.918 1.00 0.00 C ATOM 1113 CD2 LEU A 79 -10.197 14.786 4.262 1.00 0.00 C ATOM 0 H LEU A 79 -6.519 15.778 4.616 1.00 0.00 H new ATOM 0 HA LEU A 79 -7.810 13.281 3.818 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -7.466 15.956 2.407 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -8.575 14.686 1.931 1.00 0.00 H new ATOM 0 HG LEU A 79 -8.689 16.219 4.529 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -10.695 17.347 3.557 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -9.205 17.692 2.647 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -10.383 16.517 2.014 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.937 15.315 4.862 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -10.699 14.251 3.456 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -9.662 14.075 4.891 1.00 0.00 H new ATOM 1125 N VAL A 80 -5.182 14.290 2.098 1.00 0.00 N ATOM 1126 CA VAL A 80 -4.143 13.776 1.160 1.00 0.00 C ATOM 1127 C VAL A 80 -3.393 12.622 1.822 1.00 0.00 C ATOM 1128 O VAL A 80 -2.952 11.708 1.163 1.00 0.00 O ATOM 1129 CB VAL A 80 -3.175 14.951 0.727 1.00 0.00 C ATOM 1130 CG1 VAL A 80 -2.170 15.427 1.796 1.00 0.00 C ATOM 1131 CG2 VAL A 80 -2.263 14.632 -0.470 1.00 0.00 C ATOM 0 H VAL A 80 -5.062 15.262 2.382 1.00 0.00 H new ATOM 0 HA VAL A 80 -4.610 13.395 0.252 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.924 15.710 0.504 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.560 16.233 1.389 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.712 15.788 2.670 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.527 14.596 2.086 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -1.637 15.497 -0.691 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.630 13.779 -0.228 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.875 14.394 -1.340 1.00 0.00 H new ATOM 1141 N MET A 81 -3.277 12.649 3.125 1.00 0.00 N ATOM 1142 CA MET A 81 -2.592 11.549 3.845 1.00 0.00 C ATOM 1143 C MET A 81 -3.432 10.287 3.698 1.00 0.00 C ATOM 1144 O MET A 81 -2.916 9.221 3.461 1.00 0.00 O ATOM 1145 CB MET A 81 -2.457 11.929 5.356 1.00 0.00 C ATOM 1146 CG MET A 81 -1.193 11.327 5.989 1.00 0.00 C ATOM 1147 SD MET A 81 -0.823 11.778 7.710 1.00 0.00 S ATOM 1148 CE MET A 81 -2.343 12.403 8.448 1.00 0.00 C ATOM 0 H MET A 81 -3.633 13.396 3.721 1.00 0.00 H new ATOM 0 HA MET A 81 -1.597 11.381 3.433 1.00 0.00 H new ATOM 0 HB2 MET A 81 -2.431 13.014 5.456 1.00 0.00 H new ATOM 0 HB3 MET A 81 -3.336 11.579 5.898 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.274 10.241 5.935 1.00 0.00 H new ATOM 0 HG3 MET A 81 -0.339 11.614 5.375 1.00 0.00 H new ATOM 0 HE1 MET A 81 -2.242 12.416 9.533 1.00 0.00 H new ATOM 0 HE2 MET A 81 -2.532 13.415 8.089 1.00 0.00 H new ATOM 0 HE3 MET A 81 -3.175 11.757 8.168 1.00 0.00 H new ATOM 1158 N MET A 82 -4.728 10.414 3.804 1.00 0.00 N ATOM 1159 CA MET A 82 -5.609 9.230 3.633 1.00 0.00 C ATOM 1160 C MET A 82 -5.609 8.831 2.161 1.00 0.00 C ATOM 1161 O MET A 82 -5.775 7.687 1.822 1.00 0.00 O ATOM 1162 CB MET A 82 -7.032 9.644 4.075 1.00 0.00 C ATOM 1163 CG MET A 82 -7.936 8.414 4.221 1.00 0.00 C ATOM 1164 SD MET A 82 -8.769 8.513 5.803 1.00 0.00 S ATOM 1165 CE MET A 82 -8.692 6.762 6.148 1.00 0.00 C ATOM 0 H MET A 82 -5.212 11.290 4.002 1.00 0.00 H new ATOM 0 HA MET A 82 -5.264 8.384 4.228 1.00 0.00 H new ATOM 0 HB2 MET A 82 -6.982 10.179 5.023 1.00 0.00 H new ATOM 0 HB3 MET A 82 -7.459 10.330 3.344 1.00 0.00 H new ATOM 0 HG2 MET A 82 -8.664 8.379 3.410 1.00 0.00 H new ATOM 0 HG3 MET A 82 -7.346 7.500 4.159 1.00 0.00 H new ATOM 0 HE1 MET A 82 -9.161 6.560 7.111 1.00 0.00 H new ATOM 0 HE2 MET A 82 -9.218 6.214 5.366 1.00 0.00 H new ATOM 0 HE3 MET A 82 -7.650 6.442 6.177 1.00 0.00 H new ATOM 1175 N VAL A 83 -5.412 9.778 1.291 1.00 0.00 N ATOM 1176 CA VAL A 83 -5.382 9.501 -0.162 1.00 0.00 C ATOM 1177 C VAL A 83 -4.129 8.709 -0.513 1.00 0.00 C ATOM 1178 O VAL A 83 -4.135 7.947 -1.439 1.00 0.00 O ATOM 1179 CB VAL A 83 -5.428 10.812 -1.014 1.00 0.00 C ATOM 1180 CG1 VAL A 83 -4.737 10.845 -2.404 1.00 0.00 C ATOM 1181 CG2 VAL A 83 -6.886 11.195 -1.182 1.00 0.00 C ATOM 0 H VAL A 83 -5.267 10.757 1.537 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.272 8.919 -0.400 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.823 11.514 -0.440 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -4.868 11.830 -2.852 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.673 10.639 -2.286 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -5.184 10.089 -3.050 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -6.957 12.108 -1.773 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -7.417 10.391 -1.691 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -7.334 11.362 -0.202 1.00 0.00 H new ATOM 1191 N ARG A 84 -3.061 8.881 0.218 1.00 0.00 N ATOM 1192 CA ARG A 84 -1.815 8.138 -0.080 1.00 0.00 C ATOM 1193 C ARG A 84 -1.688 6.940 0.798 1.00 0.00 C ATOM 1194 O ARG A 84 -0.680 6.332 0.825 1.00 0.00 O ATOM 1195 CB ARG A 84 -0.650 9.123 0.007 1.00 0.00 C ATOM 1196 CG ARG A 84 -0.464 9.615 1.452 1.00 0.00 C ATOM 1197 CD ARG A 84 0.878 9.276 2.039 1.00 0.00 C ATOM 1198 NE ARG A 84 1.246 10.479 2.794 1.00 0.00 N ATOM 1199 CZ ARG A 84 2.488 10.784 2.884 1.00 0.00 C ATOM 1200 NH1 ARG A 84 3.239 10.140 3.695 1.00 0.00 N ATOM 1201 NH2 ARG A 84 2.981 11.571 2.014 1.00 0.00 N ATOM 0 H ARG A 84 -3.004 9.513 1.017 1.00 0.00 H new ATOM 0 HA ARG A 84 -1.822 7.729 -1.090 1.00 0.00 H new ATOM 0 HB2 ARG A 84 0.265 8.644 -0.340 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -0.835 9.972 -0.651 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -0.599 10.696 1.478 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -1.244 9.181 2.077 1.00 0.00 H new ATOM 0 HD2 ARG A 84 0.822 8.400 2.685 1.00 0.00 H new ATOM 0 HD3 ARG A 84 1.609 9.052 1.262 1.00 0.00 H new ATOM 0 HE ARG A 84 0.532 11.058 3.236 1.00 0.00 H new ATOM 0 HH11 ARG A 84 2.849 9.389 4.265 1.00 0.00 H new ATOM 0 HH12 ARG A 84 4.228 10.377 3.772 1.00 0.00 H new ATOM 0 HH21 ARG A 84 2.391 11.942 1.269 1.00 0.00 H new ATOM 0 HH22 ARG A 84 3.966 11.831 2.061 1.00 0.00 H new ATOM 1214 N GLN A 85 -2.701 6.594 1.505 1.00 0.00 N ATOM 1215 CA GLN A 85 -2.651 5.435 2.373 1.00 0.00 C ATOM 1216 C GLN A 85 -3.616 4.428 1.893 1.00 0.00 C ATOM 1217 O GLN A 85 -3.402 3.303 2.039 1.00 0.00 O ATOM 1218 CB GLN A 85 -3.127 5.733 3.804 1.00 0.00 C ATOM 1219 CG GLN A 85 -2.020 6.344 4.666 1.00 0.00 C ATOM 1220 CD GLN A 85 -2.466 6.293 6.123 1.00 0.00 C ATOM 1221 OE1 GLN A 85 -2.356 5.264 6.790 1.00 0.00 O ATOM 1222 NE2 GLN A 85 -3.079 7.363 6.588 1.00 0.00 N ATOM 0 H GLN A 85 -3.592 7.091 1.511 1.00 0.00 H new ATOM 0 HA GLN A 85 -1.610 5.111 2.366 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -3.976 6.416 3.768 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -3.479 4.811 4.267 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -1.089 5.793 4.534 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -1.827 7.373 4.363 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -3.153 8.200 6.010 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -3.479 7.354 7.526 1.00 0.00 H new ATOM 1231 N GLU A 95 -2.323 -0.464 -0.420 1.00 0.00 N ATOM 1232 CA GLU A 95 -1.924 -1.609 -0.336 1.00 0.00 C ATOM 1233 C GLU A 95 -0.440 -1.702 -0.470 1.00 0.00 C ATOM 1234 O GLU A 95 0.084 -2.728 -0.636 1.00 0.00 O ATOM 1235 CB GLU A 95 -2.720 -2.450 -1.359 1.00 0.00 C ATOM 1236 CG GLU A 95 -4.122 -2.827 -0.812 1.00 0.00 C ATOM 1237 CD GLU A 95 -5.250 -3.088 -1.793 1.00 0.00 C ATOM 1238 OE1 GLU A 95 -6.173 -3.848 -1.541 1.00 0.00 O ATOM 1239 OE2 GLU A 95 -5.174 -2.317 -2.914 1.00 0.00 O ATOM 0 HA GLU A 95 -2.106 -2.015 0.659 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -2.829 -1.889 -2.287 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -2.165 -3.357 -1.597 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -4.006 -3.721 -0.199 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -4.443 -2.024 -0.148 1.00 0.00 H new ATOM 1246 N GLU A 96 0.241 -0.645 -0.400 1.00 0.00 N ATOM 1247 CA GLU A 96 1.688 -0.673 -0.520 1.00 0.00 C ATOM 1248 C GLU A 96 2.305 -1.454 0.583 1.00 0.00 C ATOM 1249 O GLU A 96 3.305 -2.076 0.407 1.00 0.00 O ATOM 1250 CB GLU A 96 2.101 0.826 -0.377 1.00 0.00 C ATOM 1251 CG GLU A 96 2.728 1.329 -1.679 1.00 0.00 C ATOM 1252 CD GLU A 96 3.359 2.687 -1.482 1.00 0.00 C ATOM 1253 OE1 GLU A 96 2.836 3.742 -1.818 1.00 0.00 O ATOM 1254 OE2 GLU A 96 4.552 2.571 -0.840 1.00 0.00 O ATOM 0 H GLU A 96 -0.156 0.284 -0.258 1.00 0.00 H new ATOM 0 HA GLU A 96 2.010 -1.135 -1.453 1.00 0.00 H new ATOM 0 HB2 GLU A 96 1.228 1.429 -0.129 1.00 0.00 H new ATOM 0 HB3 GLU A 96 2.810 0.939 0.443 1.00 0.00 H new ATOM 0 HG2 GLU A 96 3.481 0.620 -2.023 1.00 0.00 H new ATOM 0 HG3 GLU A 96 1.966 1.387 -2.456 1.00 0.00 H new ATOM 1262 N GLU A 97 1.716 -1.427 1.717 1.00 0.00 N ATOM 1263 CA GLU A 97 2.263 -2.168 2.835 1.00 0.00 C ATOM 1264 C GLU A 97 2.314 -3.643 2.508 1.00 0.00 C ATOM 1265 O GLU A 97 3.328 -4.275 2.645 1.00 0.00 O ATOM 1266 CB GLU A 97 1.408 -1.833 4.072 1.00 0.00 C ATOM 1267 CG GLU A 97 2.343 -1.542 5.253 1.00 0.00 C ATOM 1268 CD GLU A 97 1.552 -1.133 6.470 1.00 0.00 C ATOM 1269 OE1 GLU A 97 1.638 -0.029 6.991 1.00 0.00 O ATOM 1270 OE2 GLU A 97 0.662 -2.088 6.846 1.00 0.00 O ATOM 0 H GLU A 97 0.860 -0.910 1.916 1.00 0.00 H new ATOM 0 HA GLU A 97 3.294 -1.885 3.047 1.00 0.00 H new ATOM 0 HB2 GLU A 97 0.774 -0.969 3.870 1.00 0.00 H new ATOM 0 HB3 GLU A 97 0.746 -2.666 4.310 1.00 0.00 H new ATOM 0 HG2 GLU A 97 2.937 -2.427 5.480 1.00 0.00 H new ATOM 0 HG3 GLU A 97 3.042 -0.750 4.984 1.00 0.00 H new ATOM 1278 N LEU A 98 1.235 -4.194 2.068 1.00 0.00 N ATOM 1279 CA LEU A 98 1.229 -5.627 1.722 1.00 0.00 C ATOM 1280 C LEU A 98 2.067 -5.865 0.481 1.00 0.00 C ATOM 1281 O LEU A 98 2.646 -6.907 0.316 1.00 0.00 O ATOM 1282 CB LEU A 98 -0.244 -5.974 1.363 1.00 0.00 C ATOM 1283 CG LEU A 98 -1.089 -6.475 2.545 1.00 0.00 C ATOM 1284 CD1 LEU A 98 -1.117 -5.515 3.740 1.00 0.00 C ATOM 1285 CD2 LEU A 98 -2.509 -6.683 2.036 1.00 0.00 C ATOM 0 H LEU A 98 0.348 -3.710 1.931 1.00 0.00 H new ATOM 0 HA LEU A 98 1.623 -6.224 2.544 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -0.720 -5.088 0.943 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.244 -6.736 0.584 1.00 0.00 H new ATOM 0 HG LEU A 98 -0.636 -7.396 2.911 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.733 -5.939 4.533 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.103 -5.365 4.110 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.535 -4.558 3.428 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.139 -7.040 2.851 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.903 -5.739 1.660 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -2.503 -7.420 1.233 1.00 0.00 H new ATOM 1297 N ALA A 99 2.142 -4.905 -0.388 1.00 0.00 N ATOM 1298 CA ALA A 99 2.951 -5.071 -1.614 1.00 0.00 C ATOM 1299 C ALA A 99 4.415 -5.257 -1.251 1.00 0.00 C ATOM 1300 O ALA A 99 5.119 -6.015 -1.870 1.00 0.00 O ATOM 1301 CB ALA A 99 2.735 -3.850 -2.530 1.00 0.00 C ATOM 0 H ALA A 99 1.672 -4.004 -0.299 1.00 0.00 H new ATOM 0 HA ALA A 99 2.636 -5.963 -2.155 1.00 0.00 H new ATOM 0 HB1 ALA A 99 3.329 -3.966 -3.437 1.00 0.00 H new ATOM 0 HB2 ALA A 99 1.680 -3.776 -2.794 1.00 0.00 H new ATOM 0 HB3 ALA A 99 3.043 -2.944 -2.008 1.00 0.00 H new ATOM 1307 N ASN A 100 4.871 -4.580 -0.243 1.00 0.00 N ATOM 1308 CA ASN A 100 6.282 -4.724 0.176 1.00 0.00 C ATOM 1309 C ASN A 100 6.505 -6.129 0.714 1.00 0.00 C ATOM 1310 O ASN A 100 7.423 -6.810 0.319 1.00 0.00 O ATOM 1311 CB ASN A 100 6.547 -3.680 1.315 1.00 0.00 C ATOM 1312 CG ASN A 100 7.552 -2.607 0.951 1.00 0.00 C ATOM 1313 OD1 ASN A 100 8.565 -2.836 0.306 1.00 0.00 O ATOM 1314 ND2 ASN A 100 7.345 -1.406 1.408 1.00 0.00 N ATOM 0 H ASN A 100 4.320 -3.927 0.313 1.00 0.00 H new ATOM 0 HA ASN A 100 6.955 -4.555 -0.664 1.00 0.00 H new ATOM 0 HB2 ASN A 100 5.604 -3.203 1.582 1.00 0.00 H new ATOM 0 HB3 ASN A 100 6.900 -4.207 2.201 1.00 0.00 H new ATOM 0 HD21 ASN A 100 8.025 -0.667 1.227 1.00 0.00 H new ATOM 0 HD22 ASN A 100 6.503 -1.204 1.947 1.00 0.00 H new ATOM 1321 N CYS A 101 5.655 -6.573 1.597 1.00 0.00 N ATOM 1322 CA CYS A 101 5.796 -7.945 2.149 1.00 0.00 C ATOM 1323 C CYS A 101 5.612 -8.959 1.027 1.00 0.00 C ATOM 1324 O CYS A 101 6.273 -9.972 0.980 1.00 0.00 O ATOM 1325 CB CYS A 101 4.742 -8.110 3.270 1.00 0.00 C ATOM 1326 SG CYS A 101 5.231 -7.244 4.804 1.00 0.00 S ATOM 0 H CYS A 101 4.865 -6.040 1.961 1.00 0.00 H new ATOM 0 HA CYS A 101 6.786 -8.112 2.573 1.00 0.00 H new ATOM 0 HB2 CYS A 101 3.783 -7.723 2.925 1.00 0.00 H new ATOM 0 HB3 CYS A 101 4.601 -9.170 3.481 1.00 0.00 H new ATOM 0 HG CYS A 101 4.180 -7.044 5.543 1.00 0.00 H new ATOM 1332 N PHE A 102 4.726 -8.674 0.116 1.00 0.00 N ATOM 1333 CA PHE A 102 4.489 -9.589 -1.027 1.00 0.00 C ATOM 1334 C PHE A 102 5.792 -9.782 -1.795 1.00 0.00 C ATOM 1335 O PHE A 102 6.171 -10.887 -2.112 1.00 0.00 O ATOM 1336 CB PHE A 102 3.371 -8.958 -1.896 1.00 0.00 C ATOM 1337 CG PHE A 102 2.977 -9.799 -3.091 1.00 0.00 C ATOM 1338 CD1 PHE A 102 2.302 -10.997 -2.891 1.00 0.00 C ATOM 1339 CD2 PHE A 102 3.386 -9.441 -4.379 1.00 0.00 C ATOM 1340 CE1 PHE A 102 2.012 -11.822 -3.959 1.00 0.00 C ATOM 1341 CE2 PHE A 102 3.104 -10.272 -5.446 1.00 0.00 C ATOM 1342 CZ PHE A 102 2.439 -11.473 -5.237 1.00 0.00 C ATOM 0 H PHE A 102 4.149 -7.833 0.117 1.00 0.00 H new ATOM 0 HA PHE A 102 4.166 -10.578 -0.703 1.00 0.00 H new ATOM 0 HB2 PHE A 102 2.491 -8.792 -1.275 1.00 0.00 H new ATOM 0 HB3 PHE A 102 3.704 -7.981 -2.245 1.00 0.00 H new ATOM 0 HD1 PHE A 102 2.002 -11.284 -1.894 1.00 0.00 H new ATOM 0 HD2 PHE A 102 3.921 -8.517 -4.540 1.00 0.00 H new ATOM 0 HE1 PHE A 102 1.456 -12.735 -3.804 1.00 0.00 H new ATOM 0 HE2 PHE A 102 3.401 -9.987 -6.444 1.00 0.00 H new ATOM 0 HZ PHE A 102 2.253 -12.138 -6.068 1.00 0.00 H new ATOM 1352 N ARG A 103 6.478 -8.712 -2.086 1.00 0.00 N ATOM 1353 CA ARG A 103 7.764 -8.821 -2.828 1.00 0.00 C ATOM 1354 C ARG A 103 8.820 -9.509 -1.967 1.00 0.00 C ATOM 1355 O ARG A 103 9.644 -10.246 -2.464 1.00 0.00 O ATOM 1356 CB ARG A 103 8.197 -7.388 -3.099 1.00 0.00 C ATOM 1357 CG ARG A 103 8.407 -7.403 -4.583 1.00 0.00 C ATOM 1358 CD ARG A 103 8.998 -6.079 -4.916 1.00 0.00 C ATOM 1359 NE ARG A 103 8.830 -6.135 -6.355 1.00 0.00 N ATOM 1360 CZ ARG A 103 9.169 -5.197 -7.128 1.00 0.00 C ATOM 1361 NH1 ARG A 103 9.956 -4.275 -6.908 1.00 0.00 N ATOM 1362 NH2 ARG A 103 8.884 -5.293 -8.306 1.00 0.00 N ATOM 0 H ARG A 103 6.201 -7.762 -1.840 1.00 0.00 H new ATOM 0 HA ARG A 103 7.648 -9.404 -3.742 1.00 0.00 H new ATOM 0 HB2 ARG A 103 7.435 -6.668 -2.802 1.00 0.00 H new ATOM 0 HB3 ARG A 103 9.108 -7.128 -2.560 1.00 0.00 H new ATOM 0 HG2 ARG A 103 9.073 -8.215 -4.877 1.00 0.00 H new ATOM 0 HG3 ARG A 103 7.466 -7.556 -5.111 1.00 0.00 H new ATOM 0 HD2 ARG A 103 8.462 -5.248 -4.458 1.00 0.00 H new ATOM 0 HD3 ARG A 103 10.041 -5.991 -4.613 1.00 0.00 H new ATOM 0 HE ARG A 103 8.417 -6.974 -6.763 1.00 0.00 H new ATOM 0 HH11 ARG A 103 10.424 -4.209 -6.004 1.00 0.00 H new ATOM 0 HH12 ARG A 103 10.140 -3.578 -7.630 1.00 0.00 H new ATOM 0 HH21 ARG A 103 8.384 -6.115 -8.644 1.00 0.00 H new ATOM 0 HH22 ARG A 103 9.144 -4.551 -8.956 1.00 0.00 H new ATOM 1375 N ILE A 104 8.803 -9.277 -0.682 1.00 0.00 N ATOM 1376 CA ILE A 104 9.803 -9.923 0.212 1.00 0.00 C ATOM 1377 C ILE A 104 9.668 -11.446 0.137 1.00 0.00 C ATOM 1378 O ILE A 104 10.628 -12.162 0.287 1.00 0.00 O ATOM 1379 CB ILE A 104 9.672 -9.396 1.694 1.00 0.00 C ATOM 1380 CG1 ILE A 104 10.068 -7.897 1.821 1.00 0.00 C ATOM 1381 CG2 ILE A 104 10.506 -10.203 2.735 1.00 0.00 C ATOM 1382 CD1 ILE A 104 9.513 -7.173 3.061 1.00 0.00 C ATOM 0 H ILE A 104 8.136 -8.665 -0.212 1.00 0.00 H new ATOM 0 HA ILE A 104 10.802 -9.654 -0.131 1.00 0.00 H new ATOM 0 HB ILE A 104 8.615 -9.532 1.924 1.00 0.00 H new ATOM 0 HG12 ILE A 104 11.156 -7.825 1.835 1.00 0.00 H new ATOM 0 HG13 ILE A 104 9.726 -7.371 0.930 1.00 0.00 H new ATOM 0 HG21 ILE A 104 10.360 -9.776 3.727 1.00 0.00 H new ATOM 0 HG22 ILE A 104 10.179 -11.243 2.736 1.00 0.00 H new ATOM 0 HG23 ILE A 104 11.562 -10.155 2.471 1.00 0.00 H new ATOM 0 HD11 ILE A 104 9.846 -6.135 3.056 1.00 0.00 H new ATOM 0 HD12 ILE A 104 8.424 -7.205 3.044 1.00 0.00 H new ATOM 0 HD13 ILE A 104 9.876 -7.666 3.963 1.00 0.00 H new ATOM 1394 N PHE A 105 8.484 -11.944 -0.096 1.00 0.00 N ATOM 1395 CA PHE A 105 8.289 -13.415 -0.181 1.00 0.00 C ATOM 1396 C PHE A 105 8.819 -13.942 -1.510 1.00 0.00 C ATOM 1397 O PHE A 105 9.388 -15.006 -1.564 1.00 0.00 O ATOM 1398 CB PHE A 105 6.816 -13.754 0.079 1.00 0.00 C ATOM 1399 CG PHE A 105 6.324 -13.694 1.516 1.00 0.00 C ATOM 1400 CD1 PHE A 105 6.952 -14.482 2.479 1.00 0.00 C ATOM 1401 CD2 PHE A 105 5.251 -12.882 1.882 1.00 0.00 C ATOM 1402 CE1 PHE A 105 6.570 -14.410 3.808 1.00 0.00 C ATOM 1403 CE2 PHE A 105 4.848 -12.823 3.215 1.00 0.00 C ATOM 1404 CZ PHE A 105 5.515 -13.582 4.178 1.00 0.00 C ATOM 0 H PHE A 105 7.639 -11.389 -0.232 1.00 0.00 H new ATOM 0 HA PHE A 105 8.866 -13.922 0.592 1.00 0.00 H new ATOM 0 HB2 PHE A 105 6.205 -13.074 -0.514 1.00 0.00 H new ATOM 0 HB3 PHE A 105 6.631 -14.760 -0.298 1.00 0.00 H new ATOM 0 HD1 PHE A 105 7.744 -15.155 2.186 1.00 0.00 H new ATOM 0 HD2 PHE A 105 4.733 -12.300 1.134 1.00 0.00 H new ATOM 0 HE1 PHE A 105 7.089 -14.994 4.554 1.00 0.00 H new ATOM 0 HE2 PHE A 105 4.021 -12.191 3.502 1.00 0.00 H new ATOM 0 HZ PHE A 105 5.211 -13.526 5.213 1.00 0.00 H new ATOM 1414 N ASP A 106 8.648 -13.211 -2.581 1.00 0.00 N ATOM 1415 CA ASP A 106 9.161 -13.694 -3.889 1.00 0.00 C ATOM 1416 C ASP A 106 10.598 -13.224 -4.076 1.00 0.00 C ATOM 1417 O ASP A 106 10.850 -12.154 -4.569 1.00 0.00 O ATOM 1418 CB ASP A 106 8.201 -13.383 -5.071 1.00 0.00 C ATOM 1419 CG ASP A 106 7.708 -11.964 -5.346 1.00 0.00 C ATOM 1420 OD1 ASP A 106 6.521 -11.685 -5.467 1.00 0.00 O ATOM 1421 OD2 ASP A 106 8.724 -11.072 -5.509 1.00 0.00 O ATOM 0 H ASP A 106 8.178 -12.306 -2.603 1.00 0.00 H new ATOM 0 HA ASP A 106 9.187 -14.784 -3.885 1.00 0.00 H new ATOM 0 HB2 ASP A 106 8.695 -13.729 -5.979 1.00 0.00 H new ATOM 0 HB3 ASP A 106 7.316 -14.005 -4.933 1.00 0.00 H new ATOM 1427 N LYS A 107 11.543 -14.028 -3.680 1.00 0.00 N ATOM 1428 CA LYS A 107 12.976 -13.654 -3.825 1.00 0.00 C ATOM 1429 C LYS A 107 13.396 -13.669 -5.290 1.00 0.00 C ATOM 1430 O LYS A 107 14.438 -13.168 -5.637 1.00 0.00 O ATOM 1431 CB LYS A 107 13.898 -14.694 -3.165 1.00 0.00 C ATOM 1432 CG LYS A 107 13.436 -15.103 -1.778 1.00 0.00 C ATOM 1433 CD LYS A 107 14.349 -16.181 -1.204 1.00 0.00 C ATOM 1434 CE LYS A 107 14.941 -15.574 0.054 1.00 0.00 C ATOM 1435 NZ LYS A 107 15.579 -16.623 0.837 1.00 0.00 N ATOM 0 H LYS A 107 11.381 -14.941 -3.256 1.00 0.00 H new ATOM 0 HA LYS A 107 13.069 -12.669 -3.368 1.00 0.00 H new ATOM 0 HB2 LYS A 107 13.951 -15.579 -3.800 1.00 0.00 H new ATOM 0 HB3 LYS A 107 14.907 -14.287 -3.100 1.00 0.00 H new ATOM 0 HG2 LYS A 107 13.431 -14.234 -1.120 1.00 0.00 H new ATOM 0 HG3 LYS A 107 12.412 -15.473 -1.824 1.00 0.00 H new ATOM 0 HD2 LYS A 107 13.791 -17.090 -0.978 1.00 0.00 H new ATOM 0 HD3 LYS A 107 15.130 -16.455 -1.914 1.00 0.00 H new ATOM 0 HE2 LYS A 107 15.668 -14.805 -0.206 1.00 0.00 H new ATOM 0 HE3 LYS A 107 14.160 -15.089 0.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 15.987 -16.212 1.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 14.873 -17.342 1.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 16.334 -17.066 0.275 1.00 0.00 H new ATOM 1448 N ASN A 108 12.598 -14.232 -6.152 1.00 0.00 N ATOM 1449 CA ASN A 108 12.952 -14.271 -7.588 1.00 0.00 C ATOM 1450 C ASN A 108 12.470 -13.000 -8.279 1.00 0.00 C ATOM 1451 O ASN A 108 12.932 -12.663 -9.336 1.00 0.00 O ATOM 1452 CB ASN A 108 12.191 -15.501 -8.186 1.00 0.00 C ATOM 1453 CG ASN A 108 13.053 -16.264 -9.177 1.00 0.00 C ATOM 1454 OD1 ASN A 108 13.440 -15.775 -10.226 1.00 0.00 O ATOM 1455 ND2 ASN A 108 13.463 -17.460 -8.868 1.00 0.00 N ATOM 0 H ASN A 108 11.708 -14.670 -5.916 1.00 0.00 H new ATOM 0 HA ASN A 108 14.030 -14.348 -7.728 1.00 0.00 H new ATOM 0 HB2 ASN A 108 11.886 -16.168 -7.380 1.00 0.00 H new ATOM 0 HB3 ASN A 108 11.281 -15.161 -8.681 1.00 0.00 H new ATOM 0 HD21 ASN A 108 14.091 -17.962 -9.496 1.00 0.00 H new ATOM 0 HD22 ASN A 108 13.157 -17.895 -7.998 1.00 0.00 H new ATOM 1462 N ALA A 109 11.549 -12.291 -7.684 1.00 0.00 N ATOM 1463 CA ALA A 109 11.033 -11.037 -8.287 1.00 0.00 C ATOM 1464 C ALA A 109 10.362 -11.323 -9.620 1.00 0.00 C ATOM 1465 O ALA A 109 10.675 -10.741 -10.617 1.00 0.00 O ATOM 1466 CB ALA A 109 12.145 -9.946 -8.343 1.00 0.00 C ATOM 0 H ALA A 109 11.127 -12.536 -6.788 1.00 0.00 H new ATOM 0 HA ALA A 109 10.254 -10.618 -7.650 1.00 0.00 H new ATOM 0 HB1 ALA A 109 11.741 -9.037 -8.789 1.00 0.00 H new ATOM 0 HB2 ALA A 109 12.494 -9.730 -7.333 1.00 0.00 H new ATOM 0 HB3 ALA A 109 12.978 -10.307 -8.946 1.00 0.00 H new ATOM 1472 N ASP A 110 9.432 -12.215 -9.637 1.00 0.00 N ATOM 1473 CA ASP A 110 8.724 -12.546 -10.892 1.00 0.00 C ATOM 1474 C ASP A 110 7.308 -11.972 -10.859 1.00 0.00 C ATOM 1475 O ASP A 110 6.748 -11.661 -11.840 1.00 0.00 O ATOM 1476 CB ASP A 110 8.631 -14.100 -10.990 1.00 0.00 C ATOM 1477 CG ASP A 110 9.723 -14.738 -11.829 1.00 0.00 C ATOM 1478 OD1 ASP A 110 10.688 -15.304 -11.340 1.00 0.00 O ATOM 1479 OD2 ASP A 110 9.493 -14.633 -13.171 1.00 0.00 O ATOM 0 H ASP A 110 9.124 -12.741 -8.820 1.00 0.00 H new ATOM 0 HA ASP A 110 9.259 -12.127 -11.744 1.00 0.00 H new ATOM 0 HB2 ASP A 110 8.670 -14.519 -9.984 1.00 0.00 H new ATOM 0 HB3 ASP A 110 7.662 -14.369 -11.410 1.00 0.00 H new ATOM 1485 N GLY A 111 6.726 -11.831 -9.742 1.00 0.00 N ATOM 1486 CA GLY A 111 5.347 -11.279 -9.643 1.00 0.00 C ATOM 1487 C GLY A 111 4.517 -12.112 -8.671 1.00 0.00 C ATOM 1488 O GLY A 111 3.593 -11.618 -8.083 1.00 0.00 O ATOM 0 H GLY A 111 7.146 -12.078 -8.846 1.00 0.00 H new ATOM 0 HA2 GLY A 111 5.385 -10.243 -9.306 1.00 0.00 H new ATOM 0 HA3 GLY A 111 4.876 -11.277 -10.626 1.00 0.00 H new ATOM 1492 N PHE A 112 4.830 -13.371 -8.503 1.00 0.00 N ATOM 1493 CA PHE A 112 4.051 -14.232 -7.569 1.00 0.00 C ATOM 1494 C PHE A 112 5.007 -15.019 -6.673 1.00 0.00 C ATOM 1495 O PHE A 112 6.154 -15.224 -7.001 1.00 0.00 O ATOM 1496 CB PHE A 112 3.189 -15.213 -8.445 1.00 0.00 C ATOM 1497 CG PHE A 112 2.425 -14.601 -9.641 1.00 0.00 C ATOM 1498 CD1 PHE A 112 1.482 -13.612 -9.397 1.00 0.00 C ATOM 1499 CD2 PHE A 112 2.831 -14.832 -10.961 1.00 0.00 C ATOM 1500 CE1 PHE A 112 0.851 -12.941 -10.431 1.00 0.00 C ATOM 1501 CE2 PHE A 112 2.238 -14.127 -12.008 1.00 0.00 C ATOM 1502 CZ PHE A 112 1.230 -13.201 -11.745 1.00 0.00 C ATOM 0 H PHE A 112 5.600 -13.842 -8.979 1.00 0.00 H new ATOM 0 HA PHE A 112 3.407 -13.630 -6.928 1.00 0.00 H new ATOM 0 HB2 PHE A 112 3.848 -15.993 -8.827 1.00 0.00 H new ATOM 0 HB3 PHE A 112 2.463 -15.700 -7.793 1.00 0.00 H new ATOM 0 HD1 PHE A 112 1.235 -13.360 -8.376 1.00 0.00 H new ATOM 0 HD2 PHE A 112 3.604 -15.557 -11.169 1.00 0.00 H new ATOM 0 HE1 PHE A 112 0.072 -12.223 -10.220 1.00 0.00 H new ATOM 0 HE2 PHE A 112 2.560 -14.299 -13.024 1.00 0.00 H new ATOM 0 HZ PHE A 112 0.743 -12.686 -12.560 1.00 0.00 H new ATOM 1512 N ILE A 113 4.533 -15.468 -5.546 1.00 0.00 N ATOM 1513 CA ILE A 113 5.396 -16.254 -4.617 1.00 0.00 C ATOM 1514 C ILE A 113 5.245 -17.745 -4.934 1.00 0.00 C ATOM 1515 O ILE A 113 4.161 -18.242 -5.084 1.00 0.00 O ATOM 1516 CB ILE A 113 5.011 -16.031 -3.119 1.00 0.00 C ATOM 1517 CG1 ILE A 113 5.293 -14.605 -2.653 1.00 0.00 C ATOM 1518 CG2 ILE A 113 5.717 -16.969 -2.091 1.00 0.00 C ATOM 1519 CD1 ILE A 113 4.347 -13.533 -3.117 1.00 0.00 C ATOM 0 H ILE A 113 3.576 -15.324 -5.224 1.00 0.00 H new ATOM 0 HA ILE A 113 6.422 -15.916 -4.760 1.00 0.00 H new ATOM 0 HB ILE A 113 3.945 -16.261 -3.126 1.00 0.00 H new ATOM 0 HG12 ILE A 113 5.301 -14.601 -1.563 1.00 0.00 H new ATOM 0 HG13 ILE A 113 6.297 -14.335 -2.980 1.00 0.00 H new ATOM 0 HG21 ILE A 113 5.377 -16.727 -1.084 1.00 0.00 H new ATOM 0 HG22 ILE A 113 5.472 -18.007 -2.317 1.00 0.00 H new ATOM 0 HG23 ILE A 113 6.796 -16.829 -2.152 1.00 0.00 H new ATOM 0 HD11 ILE A 113 4.662 -12.570 -2.715 1.00 0.00 H new ATOM 0 HD12 ILE A 113 4.352 -13.490 -4.206 1.00 0.00 H new ATOM 0 HD13 ILE A 113 3.340 -13.760 -2.767 1.00 0.00 H new ATOM 1531 N ASP A 114 6.326 -18.459 -5.036 1.00 0.00 N ATOM 1532 CA ASP A 114 6.247 -19.919 -5.344 1.00 0.00 C ATOM 1533 C ASP A 114 6.310 -20.724 -4.056 1.00 0.00 C ATOM 1534 O ASP A 114 6.795 -20.260 -3.048 1.00 0.00 O ATOM 1535 CB ASP A 114 7.415 -20.317 -6.291 1.00 0.00 C ATOM 1536 CG ASP A 114 7.508 -19.604 -7.633 1.00 0.00 C ATOM 1537 OD1 ASP A 114 6.849 -19.921 -8.609 1.00 0.00 O ATOM 1538 OD2 ASP A 114 8.423 -18.595 -7.613 1.00 0.00 O ATOM 0 H ASP A 114 7.272 -18.095 -4.919 1.00 0.00 H new ATOM 0 HA ASP A 114 5.301 -20.133 -5.841 1.00 0.00 H new ATOM 0 HB2 ASP A 114 8.351 -20.152 -5.757 1.00 0.00 H new ATOM 0 HB3 ASP A 114 7.342 -21.387 -6.484 1.00 0.00 H new ATOM 1544 N ILE A 115 5.834 -21.935 -4.092 1.00 0.00 N ATOM 1545 CA ILE A 115 5.870 -22.798 -2.890 1.00 0.00 C ATOM 1546 C ILE A 115 7.317 -23.099 -2.531 1.00 0.00 C ATOM 1547 O ILE A 115 7.682 -23.149 -1.380 1.00 0.00 O ATOM 1548 CB ILE A 115 5.065 -24.114 -3.211 1.00 0.00 C ATOM 1549 CG1 ILE A 115 4.664 -24.755 -1.848 1.00 0.00 C ATOM 1550 CG2 ILE A 115 5.753 -25.097 -4.223 1.00 0.00 C ATOM 1551 CD1 ILE A 115 4.624 -26.267 -1.720 1.00 0.00 C ATOM 0 H ILE A 115 5.416 -22.366 -4.917 1.00 0.00 H new ATOM 0 HA ILE A 115 5.413 -22.303 -2.033 1.00 0.00 H new ATOM 0 HB ILE A 115 4.168 -23.852 -3.773 1.00 0.00 H new ATOM 0 HG12 ILE A 115 5.357 -24.381 -1.094 1.00 0.00 H new ATOM 0 HG13 ILE A 115 3.675 -24.378 -1.587 1.00 0.00 H new ATOM 0 HG21 ILE A 115 5.116 -25.969 -4.374 1.00 0.00 H new ATOM 0 HG22 ILE A 115 5.906 -24.590 -5.176 1.00 0.00 H new ATOM 0 HG23 ILE A 115 6.716 -25.416 -3.823 1.00 0.00 H new ATOM 0 HD11 ILE A 115 4.326 -26.539 -0.707 1.00 0.00 H new ATOM 0 HD12 ILE A 115 3.905 -26.673 -2.431 1.00 0.00 H new ATOM 0 HD13 ILE A 115 5.612 -26.676 -1.930 1.00 0.00 H new ATOM 1563 N GLU A 116 8.140 -23.284 -3.517 1.00 0.00 N ATOM 1564 CA GLU A 116 9.573 -23.570 -3.257 1.00 0.00 C ATOM 1565 C GLU A 116 10.214 -22.358 -2.581 1.00 0.00 C ATOM 1566 O GLU A 116 11.045 -22.500 -1.715 1.00 0.00 O ATOM 1567 CB GLU A 116 10.253 -23.892 -4.631 1.00 0.00 C ATOM 1568 CG GLU A 116 10.200 -22.714 -5.656 1.00 0.00 C ATOM 1569 CD GLU A 116 10.527 -22.926 -7.110 1.00 0.00 C ATOM 1570 OE1 GLU A 116 9.678 -22.938 -7.991 1.00 0.00 O ATOM 1571 OE2 GLU A 116 11.862 -22.967 -7.336 1.00 0.00 O ATOM 0 H GLU A 116 7.880 -23.249 -4.503 1.00 0.00 H new ATOM 0 HA GLU A 116 9.696 -24.423 -2.590 1.00 0.00 H new ATOM 0 HB2 GLU A 116 11.295 -24.161 -4.455 1.00 0.00 H new ATOM 0 HB3 GLU A 116 9.768 -24.764 -5.070 1.00 0.00 H new ATOM 0 HG2 GLU A 116 9.192 -22.302 -5.614 1.00 0.00 H new ATOM 0 HG3 GLU A 116 10.876 -21.942 -5.288 1.00 0.00 H new ATOM 1579 N GLU A 117 9.824 -21.170 -2.964 1.00 0.00 N ATOM 1580 CA GLU A 117 10.391 -19.945 -2.341 1.00 0.00 C ATOM 1581 C GLU A 117 9.981 -19.880 -0.876 1.00 0.00 C ATOM 1582 O GLU A 117 10.778 -19.577 -0.021 1.00 0.00 O ATOM 1583 CB GLU A 117 9.860 -18.682 -3.093 1.00 0.00 C ATOM 1584 CG GLU A 117 10.606 -18.288 -4.383 1.00 0.00 C ATOM 1585 CD GLU A 117 12.045 -17.779 -4.275 1.00 0.00 C ATOM 1586 OE1 GLU A 117 12.531 -17.052 -5.126 1.00 0.00 O ATOM 1587 OE2 GLU A 117 12.717 -18.215 -3.172 1.00 0.00 O ATOM 0 H GLU A 117 9.129 -20.998 -3.690 1.00 0.00 H new ATOM 0 HA GLU A 117 11.478 -19.974 -2.409 1.00 0.00 H new ATOM 0 HB2 GLU A 117 8.812 -18.848 -3.342 1.00 0.00 H new ATOM 0 HB3 GLU A 117 9.895 -17.836 -2.407 1.00 0.00 H new ATOM 0 HG2 GLU A 117 10.612 -19.158 -5.040 1.00 0.00 H new ATOM 0 HG3 GLU A 117 10.019 -17.516 -4.881 1.00 0.00 H new ATOM 1595 N LEU A 118 8.742 -20.165 -0.585 1.00 0.00 N ATOM 1596 CA LEU A 118 8.267 -20.124 0.822 1.00 0.00 C ATOM 1597 C LEU A 118 8.890 -21.264 1.627 1.00 0.00 C ATOM 1598 O LEU A 118 9.216 -21.115 2.675 1.00 0.00 O ATOM 1599 CB LEU A 118 6.718 -20.224 0.834 1.00 0.00 C ATOM 1600 CG LEU A 118 6.120 -19.848 2.217 1.00 0.00 C ATOM 1601 CD1 LEU A 118 5.854 -18.338 2.292 1.00 0.00 C ATOM 1602 CD2 LEU A 118 4.857 -20.660 2.513 1.00 0.00 C ATOM 0 H LEU A 118 8.033 -20.427 -1.270 1.00 0.00 H new ATOM 0 HA LEU A 118 8.570 -19.185 1.285 1.00 0.00 H new ATOM 0 HB2 LEU A 118 6.306 -19.564 0.070 1.00 0.00 H new ATOM 0 HB3 LEU A 118 6.418 -21.239 0.574 1.00 0.00 H new ATOM 0 HG LEU A 118 6.849 -20.099 2.987 1.00 0.00 H new ATOM 0 HD11 LEU A 118 5.435 -18.090 3.267 1.00 0.00 H new ATOM 0 HD12 LEU A 118 6.789 -17.796 2.151 1.00 0.00 H new ATOM 0 HD13 LEU A 118 5.149 -18.054 1.511 1.00 0.00 H new ATOM 0 HD21 LEU A 118 4.461 -20.375 3.488 1.00 0.00 H new ATOM 0 HD22 LEU A 118 4.109 -20.462 1.745 1.00 0.00 H new ATOM 0 HD23 LEU A 118 5.100 -21.723 2.517 1.00 0.00 H new ATOM 1614 N GLY A 119 9.052 -22.396 1.149 1.00 0.00 N ATOM 1615 CA GLY A 119 9.647 -23.548 1.882 1.00 0.00 C ATOM 1616 C GLY A 119 10.886 -23.136 2.644 1.00 0.00 C ATOM 1617 O GLY A 119 10.966 -23.307 3.818 1.00 0.00 O ATOM 0 H GLY A 119 8.783 -22.629 0.193 1.00 0.00 H new ATOM 0 HA2 GLY A 119 8.912 -23.959 2.574 1.00 0.00 H new ATOM 0 HA3 GLY A 119 9.898 -24.340 1.176 1.00 0.00 H new ATOM 1621 N GLU A 120 11.850 -22.596 1.987 1.00 0.00 N ATOM 1622 CA GLU A 120 13.086 -22.171 2.678 1.00 0.00 C ATOM 1623 C GLU A 120 12.794 -21.029 3.636 1.00 0.00 C ATOM 1624 O GLU A 120 13.366 -20.948 4.687 1.00 0.00 O ATOM 1625 CB GLU A 120 14.148 -21.851 1.633 1.00 0.00 C ATOM 1626 CG GLU A 120 14.743 -23.167 1.086 1.00 0.00 C ATOM 1627 CD GLU A 120 15.638 -22.835 -0.072 1.00 0.00 C ATOM 1628 OE1 GLU A 120 15.293 -22.914 -1.244 1.00 0.00 O ATOM 1629 OE2 GLU A 120 16.807 -22.293 0.350 1.00 0.00 O ATOM 0 H GLU A 120 11.839 -22.425 0.981 1.00 0.00 H new ATOM 0 HA GLU A 120 13.481 -22.974 3.300 1.00 0.00 H new ATOM 0 HB2 GLU A 120 13.711 -21.271 0.820 1.00 0.00 H new ATOM 0 HB3 GLU A 120 14.935 -21.239 2.074 1.00 0.00 H new ATOM 0 HG2 GLU A 120 15.305 -23.682 1.865 1.00 0.00 H new ATOM 0 HG3 GLU A 120 13.947 -23.841 0.769 1.00 0.00 H new ATOM 1637 N ILE A 121 11.905 -20.148 3.285 1.00 0.00 N ATOM 1638 CA ILE A 121 11.575 -19.015 4.186 1.00 0.00 C ATOM 1639 C ILE A 121 11.038 -19.563 5.504 1.00 0.00 C ATOM 1640 O ILE A 121 11.377 -19.081 6.558 1.00 0.00 O ATOM 1641 CB ILE A 121 10.561 -18.022 3.506 1.00 0.00 C ATOM 1642 CG1 ILE A 121 11.180 -17.327 2.260 1.00 0.00 C ATOM 1643 CG2 ILE A 121 10.009 -16.931 4.474 1.00 0.00 C ATOM 1644 CD1 ILE A 121 10.162 -16.715 1.290 1.00 0.00 C ATOM 0 H ILE A 121 11.389 -20.164 2.405 1.00 0.00 H new ATOM 0 HA ILE A 121 12.479 -18.441 4.390 1.00 0.00 H new ATOM 0 HB ILE A 121 9.724 -18.649 3.200 1.00 0.00 H new ATOM 0 HG12 ILE A 121 11.855 -16.541 2.598 1.00 0.00 H new ATOM 0 HG13 ILE A 121 11.784 -18.055 1.718 1.00 0.00 H new ATOM 0 HG21 ILE A 121 9.317 -16.284 3.936 1.00 0.00 H new ATOM 0 HG22 ILE A 121 9.488 -17.410 5.303 1.00 0.00 H new ATOM 0 HG23 ILE A 121 10.836 -16.336 4.861 1.00 0.00 H new ATOM 0 HD11 ILE A 121 10.688 -16.254 0.454 1.00 0.00 H new ATOM 0 HD12 ILE A 121 9.500 -17.496 0.916 1.00 0.00 H new ATOM 0 HD13 ILE A 121 9.573 -15.959 1.810 1.00 0.00 H new ATOM 1656 N LEU A 122 10.212 -20.572 5.451 1.00 0.00 N ATOM 1657 CA LEU A 122 9.658 -21.157 6.697 1.00 0.00 C ATOM 1658 C LEU A 122 10.752 -21.882 7.462 1.00 0.00 C ATOM 1659 O LEU A 122 10.868 -21.747 8.653 1.00 0.00 O ATOM 1660 CB LEU A 122 8.538 -22.140 6.293 1.00 0.00 C ATOM 1661 CG LEU A 122 7.169 -21.448 6.227 1.00 0.00 C ATOM 1662 CD1 LEU A 122 6.257 -22.297 5.368 1.00 0.00 C ATOM 1663 CD2 LEU A 122 6.579 -21.330 7.643 1.00 0.00 C ATOM 0 H LEU A 122 9.897 -21.017 4.589 1.00 0.00 H new ATOM 0 HA LEU A 122 9.259 -20.377 7.345 1.00 0.00 H new ATOM 0 HB2 LEU A 122 8.771 -22.578 5.322 1.00 0.00 H new ATOM 0 HB3 LEU A 122 8.497 -22.959 7.011 1.00 0.00 H new ATOM 0 HG LEU A 122 7.270 -20.449 5.804 1.00 0.00 H new ATOM 0 HD11 LEU A 122 5.276 -21.827 5.304 1.00 0.00 H new ATOM 0 HD12 LEU A 122 6.681 -22.389 4.368 1.00 0.00 H new ATOM 0 HD13 LEU A 122 6.157 -23.287 5.812 1.00 0.00 H new ATOM 0 HD21 LEU A 122 5.607 -20.838 7.593 1.00 0.00 H new ATOM 0 HD22 LEU A 122 6.460 -22.325 8.072 1.00 0.00 H new ATOM 0 HD23 LEU A 122 7.251 -20.743 8.269 1.00 0.00 H new ATOM 1675 N ARG A 123 11.555 -22.651 6.785 1.00 0.00 N ATOM 1676 CA ARG A 123 12.645 -23.388 7.469 1.00 0.00 C ATOM 1677 C ARG A 123 13.736 -22.423 7.931 1.00 0.00 C ATOM 1678 O ARG A 123 14.406 -22.675 8.902 1.00 0.00 O ATOM 1679 CB ARG A 123 13.213 -24.238 6.330 1.00 0.00 C ATOM 1680 CG ARG A 123 12.406 -25.537 6.216 1.00 0.00 C ATOM 1681 CD ARG A 123 13.441 -26.627 6.223 1.00 0.00 C ATOM 1682 NE ARG A 123 12.808 -27.885 6.606 1.00 0.00 N ATOM 1683 CZ ARG A 123 13.562 -28.912 6.848 1.00 0.00 C ATOM 1684 NH1 ARG A 123 14.497 -29.309 6.054 1.00 0.00 N ATOM 1685 NH2 ARG A 123 13.540 -29.380 8.017 1.00 0.00 N ATOM 0 H ARG A 123 11.500 -22.800 5.777 1.00 0.00 H new ATOM 0 HA ARG A 123 12.306 -23.943 8.344 1.00 0.00 H new ATOM 0 HB2 ARG A 123 13.169 -23.685 5.392 1.00 0.00 H new ATOM 0 HB3 ARG A 123 14.263 -24.464 6.518 1.00 0.00 H new ATOM 0 HG2 ARG A 123 11.710 -25.646 7.048 1.00 0.00 H new ATOM 0 HG3 ARG A 123 11.815 -25.557 5.301 1.00 0.00 H new ATOM 0 HD2 ARG A 123 13.896 -26.720 5.237 1.00 0.00 H new ATOM 0 HD3 ARG A 123 14.241 -26.381 6.921 1.00 0.00 H new ATOM 0 HE ARG A 123 11.793 -27.955 6.682 1.00 0.00 H new ATOM 0 HH11 ARG A 123 14.674 -28.807 5.184 1.00 0.00 H new ATOM 0 HH12 ARG A 123 15.060 -30.125 6.296 1.00 0.00 H new ATOM 0 HH21 ARG A 123 12.946 -28.952 8.727 1.00 0.00 H new ATOM 0 HH22 ARG A 123 14.117 -30.187 8.254 1.00 0.00 H new ATOM 1698 N ALA A 124 13.924 -21.328 7.236 1.00 0.00 N ATOM 1699 CA ALA A 124 14.976 -20.344 7.621 1.00 0.00 C ATOM 1700 C ALA A 124 14.773 -19.851 9.054 1.00 0.00 C ATOM 1701 O ALA A 124 15.711 -19.448 9.699 1.00 0.00 O ATOM 1702 CB ALA A 124 14.951 -19.164 6.629 1.00 0.00 C ATOM 0 H ALA A 124 13.385 -21.074 6.408 1.00 0.00 H new ATOM 0 HA ALA A 124 15.950 -20.832 7.580 1.00 0.00 H new ATOM 0 HB1 ALA A 124 15.718 -18.440 6.905 1.00 0.00 H new ATOM 0 HB2 ALA A 124 15.145 -19.532 5.621 1.00 0.00 H new ATOM 0 HB3 ALA A 124 13.973 -18.684 6.659 1.00 0.00 H new ATOM 1708 N THR A 125 13.566 -19.874 9.556 1.00 0.00 N ATOM 1709 CA THR A 125 13.322 -19.401 10.946 1.00 0.00 C ATOM 1710 C THR A 125 14.007 -20.313 11.955 1.00 0.00 C ATOM 1711 O THR A 125 14.366 -19.891 13.000 1.00 0.00 O ATOM 1712 CB THR A 125 11.843 -18.990 11.323 1.00 0.00 C ATOM 1713 OG1 THR A 125 11.498 -19.269 12.677 1.00 0.00 O ATOM 1714 CG2 THR A 125 10.702 -19.627 10.545 1.00 0.00 C ATOM 0 H THR A 125 12.737 -20.202 9.059 1.00 0.00 H new ATOM 0 HA THR A 125 13.801 -18.423 10.995 1.00 0.00 H new ATOM 0 HB THR A 125 11.912 -17.930 11.080 1.00 0.00 H new ATOM 0 HG1 THR A 125 10.568 -19.004 12.839 1.00 0.00 H new ATOM 0 HG21 THR A 125 9.751 -19.247 10.917 1.00 0.00 H new ATOM 0 HG22 THR A 125 10.802 -19.382 9.487 1.00 0.00 H new ATOM 0 HG23 THR A 125 10.735 -20.709 10.672 1.00 0.00 H new ATOM 1722 N GLY A 126 14.194 -21.553 11.653 1.00 0.00 N ATOM 1723 CA GLY A 126 14.854 -22.483 12.597 1.00 0.00 C ATOM 1724 C GLY A 126 13.886 -23.264 13.382 1.00 0.00 C ATOM 1725 O GLY A 126 14.268 -24.146 14.050 1.00 0.00 O ATOM 0 H GLY A 126 13.911 -21.976 10.769 1.00 0.00 H new ATOM 0 HA2 GLY A 126 15.500 -23.163 12.041 1.00 0.00 H new ATOM 0 HA3 GLY A 126 15.494 -21.917 13.274 1.00 0.00 H new ATOM 1729 N GLU A 127 12.639 -22.948 13.310 1.00 0.00 N ATOM 1730 CA GLU A 127 11.648 -23.672 14.052 1.00 0.00 C ATOM 1731 C GLU A 127 11.520 -25.055 13.534 1.00 0.00 C ATOM 1732 O GLU A 127 11.824 -25.371 12.786 1.00 0.00 O ATOM 1733 CB GLU A 127 10.297 -22.919 13.903 1.00 0.00 C ATOM 1734 CG GLU A 127 10.163 -21.852 15.000 1.00 0.00 C ATOM 1735 CD GLU A 127 8.763 -21.277 15.162 1.00 0.00 C ATOM 1736 OE1 GLU A 127 7.741 -21.806 14.737 1.00 0.00 O ATOM 1737 OE2 GLU A 127 8.775 -20.108 15.851 1.00 0.00 O ATOM 0 H GLU A 127 12.272 -22.186 12.740 1.00 0.00 H new ATOM 0 HA GLU A 127 11.937 -23.734 15.101 1.00 0.00 H new ATOM 0 HB2 GLU A 127 10.239 -22.451 12.920 1.00 0.00 H new ATOM 0 HB3 GLU A 127 9.469 -23.625 13.969 1.00 0.00 H new ATOM 0 HG2 GLU A 127 10.475 -22.286 15.950 1.00 0.00 H new ATOM 0 HG3 GLU A 127 10.853 -21.037 14.781 1.00 0.00 H new ATOM 1745 N HIS A 128 11.073 -25.880 13.927 1.00 0.00 N ATOM 1746 CA HIS A 128 10.926 -27.246 13.466 1.00 0.00 C ATOM 1747 C HIS A 128 9.574 -27.453 12.798 1.00 0.00 C ATOM 1748 O HIS A 128 8.698 -28.046 13.342 1.00 0.00 O ATOM 1749 CB HIS A 128 10.805 -27.979 14.890 1.00 0.00 C ATOM 1750 CG HIS A 128 12.023 -28.684 15.362 1.00 0.00 C ATOM 1751 ND1 HIS A 128 12.069 -30.047 15.595 1.00 0.00 N ATOM 1752 CD2 HIS A 128 13.278 -28.108 15.329 1.00 0.00 C ATOM 1753 CE1 HIS A 128 13.419 -30.182 15.663 1.00 0.00 C ATOM 1754 NE2 HIS A 128 14.226 -29.081 15.506 1.00 0.00 N ATOM 0 HA HIS A 128 11.706 -27.563 12.773 1.00 0.00 H new ATOM 0 HB2 HIS A 128 10.527 -27.236 15.637 1.00 0.00 H new ATOM 0 HB3 HIS A 128 9.989 -28.700 14.838 1.00 0.00 H new ATOM 0 HD2 HIS A 128 13.480 -27.057 15.186 1.00 0.00 H new ATOM 0 HE1 HIS A 128 13.857 -31.153 15.840 1.00 0.00 H new ATOM 0 HE2 HIS A 128 15.243 -29.009 15.518 1.00 0.00 H new ATOM 1762 N VAL A 129 9.400 -26.965 11.615 1.00 0.00 N ATOM 1763 CA VAL A 129 8.111 -27.125 10.898 1.00 0.00 C ATOM 1764 C VAL A 129 8.135 -28.377 10.047 1.00 0.00 C ATOM 1765 O VAL A 129 9.171 -28.863 9.694 1.00 0.00 O ATOM 1766 CB VAL A 129 7.889 -25.817 10.054 1.00 0.00 C ATOM 1767 CG1 VAL A 129 9.006 -25.567 9.002 1.00 0.00 C ATOM 1768 CG2 VAL A 129 6.498 -25.798 9.375 1.00 0.00 C ATOM 0 H VAL A 129 10.112 -26.448 11.098 1.00 0.00 H new ATOM 0 HA VAL A 129 7.277 -27.251 11.588 1.00 0.00 H new ATOM 0 HB VAL A 129 7.937 -24.999 10.773 1.00 0.00 H new ATOM 0 HG11 VAL A 129 8.792 -24.649 8.455 1.00 0.00 H new ATOM 0 HG12 VAL A 129 9.967 -25.472 9.507 1.00 0.00 H new ATOM 0 HG13 VAL A 129 9.044 -26.404 8.305 1.00 0.00 H new ATOM 0 HG21 VAL A 129 6.385 -24.878 8.802 1.00 0.00 H new ATOM 0 HG22 VAL A 129 6.407 -26.655 8.707 1.00 0.00 H new ATOM 0 HG23 VAL A 129 5.720 -25.848 10.137 1.00 0.00 H new ATOM 1778 N ILE A 130 6.992 -28.893 9.719 1.00 0.00 N ATOM 1779 CA ILE A 130 6.916 -30.115 8.889 1.00 0.00 C ATOM 1780 C ILE A 130 6.458 -29.765 7.481 1.00 0.00 C ATOM 1781 O ILE A 130 5.655 -28.889 7.280 1.00 0.00 O ATOM 1782 CB ILE A 130 5.939 -31.169 9.561 1.00 0.00 C ATOM 1783 CG1 ILE A 130 4.794 -30.580 10.442 1.00 0.00 C ATOM 1784 CG2 ILE A 130 6.731 -32.200 10.392 1.00 0.00 C ATOM 1785 CD1 ILE A 130 3.537 -31.436 10.600 1.00 0.00 C ATOM 0 H ILE A 130 6.088 -28.510 9.998 1.00 0.00 H new ATOM 0 HA ILE A 130 7.907 -30.564 8.821 1.00 0.00 H new ATOM 0 HB ILE A 130 5.444 -31.637 8.710 1.00 0.00 H new ATOM 0 HG12 ILE A 130 5.197 -30.382 11.435 1.00 0.00 H new ATOM 0 HG13 ILE A 130 4.500 -29.619 10.019 1.00 0.00 H new ATOM 0 HG21 ILE A 130 6.040 -32.912 10.843 1.00 0.00 H new ATOM 0 HG22 ILE A 130 7.428 -32.731 9.744 1.00 0.00 H new ATOM 0 HG23 ILE A 130 7.286 -31.686 11.177 1.00 0.00 H new ATOM 0 HD11 ILE A 130 2.819 -30.915 11.234 1.00 0.00 H new ATOM 0 HD12 ILE A 130 3.093 -31.615 9.621 1.00 0.00 H new ATOM 0 HD13 ILE A 130 3.801 -32.389 11.058 1.00 0.00 H new ATOM 1797 N GLU A 131 6.949 -30.460 6.504 1.00 0.00 N ATOM 1798 CA GLU A 131 6.533 -30.194 5.104 1.00 0.00 C ATOM 1799 C GLU A 131 5.069 -30.573 4.923 1.00 0.00 C ATOM 1800 O GLU A 131 4.365 -29.993 4.133 1.00 0.00 O ATOM 1801 CB GLU A 131 7.561 -30.551 4.055 1.00 0.00 C ATOM 1802 CG GLU A 131 7.881 -32.044 3.911 1.00 0.00 C ATOM 1803 CD GLU A 131 8.698 -32.175 2.643 1.00 0.00 C ATOM 1804 OE1 GLU A 131 9.792 -31.643 2.482 1.00 0.00 O ATOM 1805 OE2 GLU A 131 7.971 -32.750 1.653 1.00 0.00 O ATOM 0 H GLU A 131 7.630 -31.211 6.615 1.00 0.00 H new ATOM 0 HA GLU A 131 6.534 -29.124 4.894 1.00 0.00 H new ATOM 0 HB2 GLU A 131 7.212 -30.179 3.091 1.00 0.00 H new ATOM 0 HB3 GLU A 131 8.486 -30.022 4.285 1.00 0.00 H new ATOM 0 HG2 GLU A 131 8.438 -32.409 4.774 1.00 0.00 H new ATOM 0 HG3 GLU A 131 6.967 -32.635 3.849 1.00 0.00 H new ATOM 1813 N GLU A 132 4.604 -31.529 5.668 1.00 0.00 N ATOM 1814 CA GLU A 132 3.181 -31.928 5.562 1.00 0.00 C ATOM 1815 C GLU A 132 2.311 -30.768 6.000 1.00 0.00 C ATOM 1816 O GLU A 132 1.230 -30.574 5.487 1.00 0.00 O ATOM 1817 CB GLU A 132 2.916 -33.177 6.409 1.00 0.00 C ATOM 1818 CG GLU A 132 3.220 -34.404 5.540 1.00 0.00 C ATOM 1819 CD GLU A 132 3.046 -35.687 6.305 1.00 0.00 C ATOM 1820 OE1 GLU A 132 1.959 -36.149 6.626 1.00 0.00 O ATOM 1821 OE2 GLU A 132 4.236 -36.256 6.611 1.00 0.00 O ATOM 0 H GLU A 132 5.152 -32.054 6.350 1.00 0.00 H new ATOM 0 HA GLU A 132 2.940 -32.177 4.529 1.00 0.00 H new ATOM 0 HB2 GLU A 132 3.544 -33.175 7.300 1.00 0.00 H new ATOM 0 HB3 GLU A 132 1.880 -33.196 6.748 1.00 0.00 H new ATOM 0 HG2 GLU A 132 2.561 -34.406 4.671 1.00 0.00 H new ATOM 0 HG3 GLU A 132 4.242 -34.340 5.165 1.00 0.00 H new ATOM 1829 N ASP A 133 2.782 -29.985 6.937 1.00 0.00 N ATOM 1830 CA ASP A 133 1.992 -28.829 7.400 1.00 0.00 C ATOM 1831 C ASP A 133 2.159 -27.675 6.429 1.00 0.00 C ATOM 1832 O ASP A 133 1.222 -26.979 6.124 1.00 0.00 O ATOM 1833 CB ASP A 133 2.463 -28.429 8.822 1.00 0.00 C ATOM 1834 CG ASP A 133 1.799 -27.237 9.506 1.00 0.00 C ATOM 1835 OD1 ASP A 133 2.399 -26.476 10.254 1.00 0.00 O ATOM 1836 OD2 ASP A 133 0.489 -27.093 9.174 1.00 0.00 O ATOM 0 H ASP A 133 3.684 -30.106 7.397 1.00 0.00 H new ATOM 0 HA ASP A 133 0.935 -29.090 7.441 1.00 0.00 H new ATOM 0 HB2 ASP A 133 2.333 -29.296 9.469 1.00 0.00 H new ATOM 0 HB3 ASP A 133 3.533 -28.227 8.771 1.00 0.00 H new ATOM 1842 N ILE A 134 3.347 -27.471 5.944 1.00 0.00 N ATOM 1843 CA ILE A 134 3.584 -26.363 4.990 1.00 0.00 C ATOM 1844 C ILE A 134 2.841 -26.638 3.681 1.00 0.00 C ATOM 1845 O ILE A 134 2.161 -25.787 3.156 1.00 0.00 O ATOM 1846 CB ILE A 134 5.106 -26.174 4.693 1.00 0.00 C ATOM 1847 CG1 ILE A 134 5.858 -25.896 6.000 1.00 0.00 C ATOM 1848 CG2 ILE A 134 5.383 -25.067 3.634 1.00 0.00 C ATOM 1849 CD1 ILE A 134 7.373 -25.979 5.862 1.00 0.00 C ATOM 0 H ILE A 134 4.170 -28.030 6.170 1.00 0.00 H new ATOM 0 HA ILE A 134 3.211 -25.446 5.446 1.00 0.00 H new ATOM 0 HB ILE A 134 5.474 -27.103 4.257 1.00 0.00 H new ATOM 0 HG12 ILE A 134 5.588 -24.903 6.360 1.00 0.00 H new ATOM 0 HG13 ILE A 134 5.531 -26.609 6.756 1.00 0.00 H new ATOM 0 HG21 ILE A 134 6.457 -24.982 3.469 1.00 0.00 H new ATOM 0 HG22 ILE A 134 4.892 -25.329 2.697 1.00 0.00 H new ATOM 0 HG23 ILE A 134 4.994 -24.114 3.993 1.00 0.00 H new ATOM 0 HD11 ILE A 134 7.838 -25.771 6.826 1.00 0.00 H new ATOM 0 HD12 ILE A 134 7.654 -26.979 5.532 1.00 0.00 H new ATOM 0 HD13 ILE A 134 7.712 -25.246 5.130 1.00 0.00 H new ATOM 1861 N GLU A 135 2.972 -27.818 3.152 1.00 0.00 N ATOM 1862 CA GLU A 135 2.284 -28.159 1.874 1.00 0.00 C ATOM 1863 C GLU A 135 0.768 -28.053 2.040 1.00 0.00 C ATOM 1864 O GLU A 135 0.095 -27.438 1.247 1.00 0.00 O ATOM 1865 CB GLU A 135 2.750 -29.550 1.400 1.00 0.00 C ATOM 1866 CG GLU A 135 2.490 -29.703 -0.112 1.00 0.00 C ATOM 1867 CD GLU A 135 2.865 -31.077 -0.625 1.00 0.00 C ATOM 1868 OE1 GLU A 135 4.015 -31.399 -0.906 1.00 0.00 O ATOM 1869 OE2 GLU A 135 1.780 -31.894 -0.714 1.00 0.00 O ATOM 0 H GLU A 135 3.532 -28.571 3.552 1.00 0.00 H new ATOM 0 HA GLU A 135 2.553 -27.445 1.096 1.00 0.00 H new ATOM 0 HB2 GLU A 135 3.812 -29.679 1.610 1.00 0.00 H new ATOM 0 HB3 GLU A 135 2.220 -30.328 1.950 1.00 0.00 H new ATOM 0 HG2 GLU A 135 1.436 -29.516 -0.318 1.00 0.00 H new ATOM 0 HG3 GLU A 135 3.059 -28.948 -0.654 1.00 0.00 H new ATOM 1877 N ASP A 136 0.232 -28.647 3.064 1.00 0.00 N ATOM 1878 CA ASP A 136 -1.240 -28.589 3.289 1.00 0.00 C ATOM 1879 C ASP A 136 -1.693 -27.152 3.485 1.00 0.00 C ATOM 1880 O ASP A 136 -2.771 -26.787 3.080 1.00 0.00 O ATOM 1881 CB ASP A 136 -1.538 -29.499 4.509 1.00 0.00 C ATOM 1882 CG ASP A 136 -3.012 -29.838 4.544 1.00 0.00 C ATOM 1883 OD1 ASP A 136 -3.497 -30.799 3.957 1.00 0.00 O ATOM 1884 OD2 ASP A 136 -3.731 -28.862 5.158 1.00 0.00 O ATOM 0 H ASP A 136 0.753 -29.176 3.763 1.00 0.00 H new ATOM 0 HA ASP A 136 -1.801 -28.950 2.427 1.00 0.00 H new ATOM 0 HB2 ASP A 136 -0.946 -30.412 4.447 1.00 0.00 H new ATOM 0 HB3 ASP A 136 -1.249 -28.994 5.431 1.00 0.00 H new ATOM 1890 N LEU A 137 -0.878 -26.337 4.100 1.00 0.00 N ATOM 1891 CA LEU A 137 -1.259 -24.926 4.319 1.00 0.00 C ATOM 1892 C LEU A 137 -1.486 -24.236 2.982 1.00 0.00 C ATOM 1893 O LEU A 137 -2.432 -23.500 2.812 1.00 0.00 O ATOM 1894 CB LEU A 137 -0.148 -24.219 5.139 1.00 0.00 C ATOM 1895 CG LEU A 137 -0.590 -22.858 5.721 1.00 0.00 C ATOM 1896 CD1 LEU A 137 -1.358 -23.076 7.033 1.00 0.00 C ATOM 1897 CD2 LEU A 137 0.629 -21.961 5.953 1.00 0.00 C ATOM 0 H LEU A 137 0.040 -26.597 4.460 1.00 0.00 H new ATOM 0 HA LEU A 137 -2.191 -24.875 4.882 1.00 0.00 H new ATOM 0 HB2 LEU A 137 0.163 -24.872 5.955 1.00 0.00 H new ATOM 0 HB3 LEU A 137 0.724 -24.068 4.502 1.00 0.00 H new ATOM 0 HG LEU A 137 -1.250 -22.363 5.008 1.00 0.00 H new ATOM 0 HD11 LEU A 137 -1.667 -22.112 7.438 1.00 0.00 H new ATOM 0 HD12 LEU A 137 -2.239 -23.688 6.841 1.00 0.00 H new ATOM 0 HD13 LEU A 137 -0.714 -23.582 7.752 1.00 0.00 H new ATOM 0 HD21 LEU A 137 0.304 -21.005 6.363 1.00 0.00 H new ATOM 0 HD22 LEU A 137 1.309 -22.445 6.655 1.00 0.00 H new ATOM 0 HD23 LEU A 137 1.143 -21.794 5.007 1.00 0.00 H new ATOM 1909 N MET A 138 -0.627 -24.474 2.037 1.00 0.00 N ATOM 1910 CA MET A 138 -0.784 -23.840 0.709 1.00 0.00 C ATOM 1911 C MET A 138 -2.008 -24.406 -0.009 1.00 0.00 C ATOM 1912 O MET A 138 -2.751 -23.701 -0.635 1.00 0.00 O ATOM 1913 CB MET A 138 0.511 -24.023 -0.088 1.00 0.00 C ATOM 1914 CG MET A 138 0.580 -22.917 -1.138 1.00 0.00 C ATOM 1915 SD MET A 138 2.291 -22.690 -1.527 1.00 0.00 S ATOM 1916 CE MET A 138 2.041 -21.544 -2.828 1.00 0.00 C ATOM 0 H MET A 138 0.183 -25.086 2.131 1.00 0.00 H new ATOM 0 HA MET A 138 -0.959 -22.770 0.817 1.00 0.00 H new ATOM 0 HB2 MET A 138 1.376 -23.974 0.574 1.00 0.00 H new ATOM 0 HB3 MET A 138 0.529 -25.003 -0.565 1.00 0.00 H new ATOM 0 HG2 MET A 138 0.014 -23.193 -2.028 1.00 0.00 H new ATOM 0 HG3 MET A 138 0.144 -21.994 -0.756 1.00 0.00 H new ATOM 0 HE1 MET A 138 2.658 -21.823 -3.682 1.00 0.00 H new ATOM 0 HE2 MET A 138 0.991 -21.550 -3.122 1.00 0.00 H new ATOM 0 HE3 MET A 138 2.317 -20.545 -2.491 1.00 0.00 H new ATOM 1926 N LYS A 139 -2.222 -25.671 0.076 1.00 0.00 N ATOM 1927 CA LYS A 139 -3.398 -26.284 -0.604 1.00 0.00 C ATOM 1928 C LYS A 139 -4.705 -25.782 -0.024 1.00 0.00 C ATOM 1929 O LYS A 139 -5.710 -25.756 -0.679 1.00 0.00 O ATOM 1930 CB LYS A 139 -3.528 -27.718 -0.924 1.00 0.00 C ATOM 1931 CG LYS A 139 -2.905 -28.624 0.118 1.00 0.00 C ATOM 1932 CD LYS A 139 -3.085 -29.930 -0.593 1.00 0.00 C ATOM 1933 CE LYS A 139 -2.535 -31.133 0.107 1.00 0.00 C ATOM 1934 NZ LYS A 139 -2.866 -32.075 -0.968 1.00 0.00 N ATOM 0 H LYS A 139 -1.632 -26.325 0.591 1.00 0.00 H new ATOM 0 HA LYS A 139 -3.140 -25.917 -1.598 1.00 0.00 H new ATOM 0 HB2 LYS A 139 -4.585 -27.966 -1.026 1.00 0.00 H new ATOM 0 HB3 LYS A 139 -3.061 -27.911 -1.890 1.00 0.00 H new ATOM 0 HG2 LYS A 139 -1.859 -28.389 0.313 1.00 0.00 H new ATOM 0 HG3 LYS A 139 -3.424 -28.588 1.076 1.00 0.00 H new ATOM 0 HD2 LYS A 139 -4.150 -30.087 -0.762 1.00 0.00 H new ATOM 0 HD3 LYS A 139 -2.614 -29.856 -1.573 1.00 0.00 H new ATOM 0 HE2 LYS A 139 -1.467 -31.067 0.317 1.00 0.00 H new ATOM 0 HE3 LYS A 139 -3.032 -31.355 1.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 -3.428 -32.860 -0.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 -3.415 -31.585 -1.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 -1.989 -32.449 -1.384 1.00 0.00 H new ATOM 1947 N ASP A 140 -4.699 -25.385 1.196 1.00 0.00 N ATOM 1948 CA ASP A 140 -5.937 -24.885 1.817 1.00 0.00 C ATOM 1949 C ASP A 140 -6.081 -23.406 1.569 1.00 0.00 C ATOM 1950 O ASP A 140 -7.166 -22.897 1.515 1.00 0.00 O ATOM 1951 CB ASP A 140 -5.802 -25.140 3.358 1.00 0.00 C ATOM 1952 CG ASP A 140 -6.673 -26.265 3.875 1.00 0.00 C ATOM 1953 OD1 ASP A 140 -6.260 -27.402 4.090 1.00 0.00 O ATOM 1954 OD2 ASP A 140 -7.955 -25.848 4.082 1.00 0.00 O ATOM 0 H ASP A 140 -3.879 -25.384 1.803 1.00 0.00 H new ATOM 0 HA ASP A 140 -6.810 -25.388 1.401 1.00 0.00 H new ATOM 0 HB2 ASP A 140 -4.761 -25.365 3.589 1.00 0.00 H new ATOM 0 HB3 ASP A 140 -6.056 -24.224 3.891 1.00 0.00 H new ATOM 1960 N SER A 141 -4.996 -22.713 1.420 1.00 0.00 N ATOM 1961 CA SER A 141 -5.070 -21.268 1.177 1.00 0.00 C ATOM 1962 C SER A 141 -5.330 -20.991 -0.289 1.00 0.00 C ATOM 1963 O SER A 141 -5.778 -19.970 -0.635 1.00 0.00 O ATOM 1964 CB SER A 141 -3.694 -20.617 1.518 1.00 0.00 C ATOM 1965 OG SER A 141 -3.547 -20.362 2.912 1.00 0.00 O ATOM 0 H SER A 141 -4.052 -23.097 1.458 1.00 0.00 H new ATOM 0 HA SER A 141 -5.873 -20.862 1.793 1.00 0.00 H new ATOM 0 HB2 SER A 141 -2.891 -21.274 1.185 1.00 0.00 H new ATOM 0 HB3 SER A 141 -3.590 -19.682 0.967 1.00 0.00 H new ATOM 0 HG SER A 141 -2.671 -19.956 3.080 1.00 0.00 H new ATOM 1971 N ASP A 142 -5.056 -21.883 -1.156 1.00 0.00 N ATOM 1972 CA ASP A 142 -5.293 -21.653 -2.591 1.00 0.00 C ATOM 1973 C ASP A 142 -6.733 -21.845 -2.945 1.00 0.00 C ATOM 1974 O ASP A 142 -7.196 -22.905 -3.069 1.00 0.00 O ATOM 1975 CB ASP A 142 -4.392 -22.704 -3.324 1.00 0.00 C ATOM 1976 CG ASP A 142 -3.333 -22.048 -4.192 1.00 0.00 C ATOM 1977 OD1 ASP A 142 -3.529 -21.703 -5.347 1.00 0.00 O ATOM 1978 OD2 ASP A 142 -2.203 -21.756 -3.509 1.00 0.00 O ATOM 0 H ASP A 142 -4.664 -22.797 -0.932 1.00 0.00 H new ATOM 0 HA ASP A 142 -5.050 -20.630 -2.880 1.00 0.00 H new ATOM 0 HB2 ASP A 142 -3.909 -23.343 -2.585 1.00 0.00 H new ATOM 0 HB3 ASP A 142 -5.018 -23.348 -3.942 1.00 0.00 H new ATOM 1984 N LYS A 143 -7.443 -20.819 -3.104 1.00 0.00 N ATOM 1985 CA LYS A 143 -8.856 -20.923 -3.448 1.00 0.00 C ATOM 1986 C LYS A 143 -8.983 -21.385 -4.859 1.00 0.00 C ATOM 1987 O LYS A 143 -9.813 -22.133 -5.133 1.00 0.00 O ATOM 1988 CB LYS A 143 -9.646 -19.648 -3.206 1.00 0.00 C ATOM 1989 CG LYS A 143 -9.870 -19.580 -1.693 1.00 0.00 C ATOM 1990 CD LYS A 143 -8.914 -18.558 -1.062 1.00 0.00 C ATOM 1991 CE LYS A 143 -9.419 -17.126 -1.128 1.00 0.00 C ATOM 1992 NZ LYS A 143 -10.842 -17.042 -0.732 1.00 0.00 N ATOM 0 H LYS A 143 -7.099 -19.864 -3.008 1.00 0.00 H new ATOM 0 HA LYS A 143 -9.300 -21.656 -2.775 1.00 0.00 H new ATOM 0 HB2 LYS A 143 -9.098 -18.775 -3.560 1.00 0.00 H new ATOM 0 HB3 LYS A 143 -10.595 -19.668 -3.742 1.00 0.00 H new ATOM 0 HG2 LYS A 143 -10.903 -19.301 -1.483 1.00 0.00 H new ATOM 0 HG3 LYS A 143 -9.708 -20.562 -1.249 1.00 0.00 H new ATOM 0 HD2 LYS A 143 -8.746 -18.827 -0.019 1.00 0.00 H new ATOM 0 HD3 LYS A 143 -7.949 -18.617 -1.566 1.00 0.00 H new ATOM 0 HE2 LYS A 143 -8.819 -16.495 -0.473 1.00 0.00 H new ATOM 0 HE3 LYS A 143 -9.297 -16.741 -2.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 -11.192 -16.077 -0.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 -11.399 -17.715 -1.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 -10.936 -17.274 0.277 1.00 0.00 H new ATOM 2005 N ASN A 144 -8.163 -20.950 -5.752 1.00 0.00 N ATOM 2006 CA ASN A 144 -8.225 -21.366 -7.144 1.00 0.00 C ATOM 2007 C ASN A 144 -7.256 -22.448 -7.437 1.00 0.00 C ATOM 2008 O ASN A 144 -7.302 -23.097 -8.374 1.00 0.00 O ATOM 2009 CB ASN A 144 -7.779 -20.110 -7.977 1.00 0.00 C ATOM 2010 CG ASN A 144 -8.938 -19.401 -8.652 1.00 0.00 C ATOM 2011 OD1 ASN A 144 -9.974 -19.108 -8.073 1.00 0.00 O ATOM 2012 ND2 ASN A 144 -8.805 -19.136 -9.921 1.00 0.00 N ATOM 0 H ASN A 144 -7.415 -20.286 -5.552 1.00 0.00 H new ATOM 0 HA ASN A 144 -9.226 -21.728 -7.378 1.00 0.00 H new ATOM 0 HB2 ASN A 144 -7.266 -19.409 -7.319 1.00 0.00 H new ATOM 0 HB3 ASN A 144 -7.060 -20.421 -8.735 1.00 0.00 H new ATOM 0 HD21 ASN A 144 -9.565 -18.685 -10.430 1.00 0.00 H new ATOM 0 HD22 ASN A 144 -7.941 -19.380 -10.405 1.00 0.00 H new ATOM 2019 N ASN A 145 -6.380 -22.642 -6.640 1.00 0.00 N ATOM 2020 CA ASN A 145 -5.400 -23.674 -6.850 1.00 0.00 C ATOM 2021 C ASN A 145 -4.571 -23.479 -8.075 1.00 0.00 C ATOM 2022 O ASN A 145 -4.754 -24.112 -9.052 1.00 0.00 O ATOM 2023 CB ASN A 145 -6.055 -25.111 -6.767 1.00 0.00 C ATOM 2024 CG ASN A 145 -5.373 -26.089 -5.833 1.00 0.00 C ATOM 2025 OD1 ASN A 145 -4.339 -25.857 -5.218 1.00 0.00 O ATOM 2026 ND2 ASN A 145 -5.991 -27.206 -5.621 1.00 0.00 N ATOM 0 H ASN A 145 -6.261 -22.111 -5.778 1.00 0.00 H new ATOM 0 HA ASN A 145 -4.688 -23.594 -6.029 1.00 0.00 H new ATOM 0 HB2 ASN A 145 -7.093 -25.000 -6.453 1.00 0.00 H new ATOM 0 HB3 ASN A 145 -6.069 -25.542 -7.768 1.00 0.00 H new ATOM 0 HD21 ASN A 145 -5.616 -27.877 -4.951 1.00 0.00 H new ATOM 0 HD22 ASN A 145 -6.853 -27.415 -6.124 1.00 0.00 H new ATOM 2033 N ASP A 146 -3.655 -22.604 -8.023 1.00 0.00 N ATOM 2034 CA ASP A 146 -2.800 -22.355 -9.170 1.00 0.00 C ATOM 2035 C ASP A 146 -1.402 -22.878 -8.890 1.00 0.00 C ATOM 2036 O ASP A 146 -0.700 -23.255 -9.746 1.00 0.00 O ATOM 2037 CB ASP A 146 -2.734 -20.771 -9.223 1.00 0.00 C ATOM 2038 CG ASP A 146 -2.905 -20.070 -10.557 1.00 0.00 C ATOM 2039 OD1 ASP A 146 -2.248 -19.092 -10.894 1.00 0.00 O ATOM 2040 OD2 ASP A 146 -3.925 -20.574 -11.295 1.00 0.00 O ATOM 0 H ASP A 146 -3.453 -22.029 -7.205 1.00 0.00 H new ATOM 0 HA ASP A 146 -3.163 -22.824 -10.084 1.00 0.00 H new ATOM 0 HB2 ASP A 146 -3.501 -20.387 -8.550 1.00 0.00 H new ATOM 0 HB3 ASP A 146 -1.770 -20.468 -8.814 1.00 0.00 H new ATOM 2046 N GLY A 147 -0.995 -22.894 -7.698 1.00 0.00 N ATOM 2047 CA GLY A 147 0.356 -23.380 -7.355 1.00 0.00 C ATOM 2048 C GLY A 147 1.161 -22.269 -6.686 1.00 0.00 C ATOM 2049 O GLY A 147 1.886 -22.506 -5.744 1.00 0.00 O ATOM 0 H GLY A 147 -1.549 -22.582 -6.900 1.00 0.00 H new ATOM 0 HA2 GLY A 147 0.283 -24.239 -6.688 1.00 0.00 H new ATOM 0 HA3 GLY A 147 0.868 -23.719 -8.256 1.00 0.00 H new ATOM 2053 N ARG A 148 1.042 -21.061 -7.172 1.00 0.00 N ATOM 2054 CA ARG A 148 1.798 -19.927 -6.581 1.00 0.00 C ATOM 2055 C ARG A 148 0.842 -18.966 -5.876 1.00 0.00 C ATOM 2056 O ARG A 148 -0.361 -19.066 -6.001 1.00 0.00 O ATOM 2057 CB ARG A 148 2.538 -19.154 -7.703 1.00 0.00 C ATOM 2058 CG ARG A 148 3.743 -19.913 -8.248 1.00 0.00 C ATOM 2059 CD ARG A 148 3.332 -21.044 -9.178 1.00 0.00 C ATOM 2060 NE ARG A 148 4.191 -20.935 -10.344 1.00 0.00 N ATOM 2061 CZ ARG A 148 4.044 -21.661 -11.397 1.00 0.00 C ATOM 2062 NH1 ARG A 148 3.342 -22.723 -11.557 1.00 0.00 N ATOM 2063 NH2 ARG A 148 4.382 -21.190 -12.467 1.00 0.00 N ATOM 0 H ARG A 148 0.446 -20.813 -7.962 1.00 0.00 H new ATOM 0 HA ARG A 148 2.514 -20.324 -5.862 1.00 0.00 H new ATOM 0 HB2 ARG A 148 1.843 -18.952 -8.518 1.00 0.00 H new ATOM 0 HB3 ARG A 148 2.866 -18.189 -7.317 1.00 0.00 H new ATOM 0 HG2 ARG A 148 4.394 -19.222 -8.783 1.00 0.00 H new ATOM 0 HG3 ARG A 148 4.322 -20.318 -7.418 1.00 0.00 H new ATOM 0 HD2 ARG A 148 3.454 -22.012 -8.693 1.00 0.00 H new ATOM 0 HD3 ARG A 148 2.282 -20.958 -9.457 1.00 0.00 H new ATOM 0 HE ARG A 148 4.947 -20.250 -10.328 1.00 0.00 H new ATOM 0 HH11 ARG A 148 2.800 -23.098 -10.779 1.00 0.00 H new ATOM 0 HH12 ARG A 148 3.326 -23.192 -12.462 1.00 0.00 H new ATOM 0 HH21 ARG A 148 4.768 -20.247 -12.510 1.00 0.00 H new ATOM 0 HH22 ARG A 148 4.279 -21.738 -13.321 1.00 0.00 H new ATOM 2076 N ILE A 149 1.380 -18.025 -5.151 1.00 0.00 N ATOM 2077 CA ILE A 149 0.528 -17.029 -4.441 1.00 0.00 C ATOM 2078 C ILE A 149 0.659 -15.681 -5.151 1.00 0.00 C ATOM 2079 O ILE A 149 1.744 -15.192 -5.365 1.00 0.00 O ATOM 2080 CB ILE A 149 0.869 -16.889 -2.919 1.00 0.00 C ATOM 2081 CG1 ILE A 149 0.633 -18.212 -2.163 1.00 0.00 C ATOM 2082 CG2 ILE A 149 0.091 -15.775 -2.164 1.00 0.00 C ATOM 2083 CD1 ILE A 149 1.627 -18.425 -1.010 1.00 0.00 C ATOM 0 H ILE A 149 2.384 -17.902 -5.019 1.00 0.00 H new ATOM 0 HA ILE A 149 -0.501 -17.385 -4.478 1.00 0.00 H new ATOM 0 HB ILE A 149 1.923 -16.610 -2.924 1.00 0.00 H new ATOM 0 HG12 ILE A 149 -0.383 -18.223 -1.768 1.00 0.00 H new ATOM 0 HG13 ILE A 149 0.712 -19.044 -2.863 1.00 0.00 H new ATOM 0 HG21 ILE A 149 0.399 -15.761 -1.119 1.00 0.00 H new ATOM 0 HG22 ILE A 149 0.306 -14.808 -2.619 1.00 0.00 H new ATOM 0 HG23 ILE A 149 -0.979 -15.974 -2.224 1.00 0.00 H new ATOM 0 HD11 ILE A 149 1.412 -19.372 -0.515 1.00 0.00 H new ATOM 0 HD12 ILE A 149 2.643 -18.444 -1.404 1.00 0.00 H new ATOM 0 HD13 ILE A 149 1.532 -17.610 -0.292 1.00 0.00 H new ATOM 2095 N ASP A 150 -0.437 -15.081 -5.517 1.00 0.00 N ATOM 2096 CA ASP A 150 -0.375 -13.765 -6.220 1.00 0.00 C ATOM 2097 C ASP A 150 -0.796 -12.647 -5.270 1.00 0.00 C ATOM 2098 O ASP A 150 -1.247 -12.891 -4.173 1.00 0.00 O ATOM 2099 CB ASP A 150 -1.363 -13.832 -7.469 1.00 0.00 C ATOM 2100 CG ASP A 150 -2.410 -14.946 -7.686 1.00 0.00 C ATOM 2101 OD1 ASP A 150 -2.142 -16.140 -7.630 1.00 0.00 O ATOM 2102 OD2 ASP A 150 -3.649 -14.459 -7.978 1.00 0.00 O ATOM 0 H ASP A 150 -1.377 -15.444 -5.361 1.00 0.00 H new ATOM 0 HA ASP A 150 0.641 -13.558 -6.556 1.00 0.00 H new ATOM 0 HB2 ASP A 150 -1.915 -12.892 -7.471 1.00 0.00 H new ATOM 0 HB3 ASP A 150 -0.731 -13.832 -8.357 1.00 0.00 H new ATOM 2108 N PHE A 151 -0.650 -11.420 -5.692 1.00 0.00 N ATOM 2109 CA PHE A 151 -1.037 -10.264 -4.831 1.00 0.00 C ATOM 2110 C PHE A 151 -2.540 -10.302 -4.548 1.00 0.00 C ATOM 2111 O PHE A 151 -2.991 -9.831 -3.529 1.00 0.00 O ATOM 2112 CB PHE A 151 -0.654 -8.970 -5.607 1.00 0.00 C ATOM 2113 CG PHE A 151 -0.801 -7.712 -4.739 1.00 0.00 C ATOM 2114 CD1 PHE A 151 0.241 -7.351 -3.923 1.00 0.00 C ATOM 2115 CD2 PHE A 151 -2.051 -7.053 -4.631 1.00 0.00 C ATOM 2116 CE1 PHE A 151 0.069 -6.371 -2.951 1.00 0.00 C ATOM 2117 CE2 PHE A 151 -2.185 -6.027 -3.685 1.00 0.00 C ATOM 2118 CZ PHE A 151 -1.145 -5.707 -2.856 1.00 0.00 C ATOM 0 H PHE A 151 -0.275 -11.166 -6.606 1.00 0.00 H new ATOM 0 HA PHE A 151 -0.522 -10.298 -3.871 1.00 0.00 H new ATOM 0 HB2 PHE A 151 0.375 -9.049 -5.958 1.00 0.00 H new ATOM 0 HB3 PHE A 151 -1.286 -8.877 -6.490 1.00 0.00 H new ATOM 0 HD1 PHE A 151 1.202 -7.831 -4.036 1.00 0.00 H new ATOM 0 HD2 PHE A 151 -2.881 -7.334 -5.262 1.00 0.00 H new ATOM 0 HE1 PHE A 151 0.875 -6.129 -2.275 1.00 0.00 H new ATOM 0 HE2 PHE A 151 -3.116 -5.485 -3.610 1.00 0.00 H new ATOM 0 HZ PHE A 151 -1.271 -4.928 -2.119 1.00 0.00 H new ATOM 2128 N ASP A 152 -3.314 -10.868 -5.441 1.00 0.00 N ATOM 2129 CA ASP A 152 -4.787 -10.948 -5.223 1.00 0.00 C ATOM 2130 C ASP A 152 -5.065 -11.769 -3.971 1.00 0.00 C ATOM 2131 O ASP A 152 -5.661 -11.290 -3.032 1.00 0.00 O ATOM 2132 CB ASP A 152 -5.494 -11.533 -6.476 1.00 0.00 C ATOM 2133 CG ASP A 152 -5.441 -10.600 -7.669 1.00 0.00 C ATOM 2134 OD1 ASP A 152 -6.340 -9.828 -7.972 1.00 0.00 O ATOM 2135 OD2 ASP A 152 -4.247 -10.668 -8.316 1.00 0.00 O ATOM 0 H ASP A 152 -2.985 -11.279 -6.315 1.00 0.00 H new ATOM 0 HA ASP A 152 -5.193 -9.948 -5.071 1.00 0.00 H new ATOM 0 HB2 ASP A 152 -5.027 -12.482 -6.741 1.00 0.00 H new ATOM 0 HB3 ASP A 152 -6.535 -11.747 -6.234 1.00 0.00 H new ATOM 2141 N GLU A 153 -4.623 -13.000 -3.952 1.00 0.00 N ATOM 2142 CA GLU A 153 -4.839 -13.864 -2.761 1.00 0.00 C ATOM 2143 C GLU A 153 -4.026 -13.328 -1.580 1.00 0.00 C ATOM 2144 O GLU A 153 -4.391 -13.516 -0.445 1.00 0.00 O ATOM 2145 CB GLU A 153 -4.329 -15.270 -3.164 1.00 0.00 C ATOM 2146 CG GLU A 153 -5.494 -16.241 -2.962 1.00 0.00 C ATOM 2147 CD GLU A 153 -5.319 -17.554 -3.662 1.00 0.00 C ATOM 2148 OE1 GLU A 153 -5.959 -17.901 -4.647 1.00 0.00 O ATOM 2149 OE2 GLU A 153 -4.405 -18.327 -3.038 1.00 0.00 O ATOM 0 H GLU A 153 -4.118 -13.444 -4.719 1.00 0.00 H new ATOM 0 HA GLU A 153 -5.886 -13.888 -2.460 1.00 0.00 H new ATOM 0 HB2 GLU A 153 -3.996 -15.277 -4.202 1.00 0.00 H new ATOM 0 HB3 GLU A 153 -3.474 -15.560 -2.553 1.00 0.00 H new ATOM 0 HG2 GLU A 153 -5.621 -16.424 -1.895 1.00 0.00 H new ATOM 0 HG3 GLU A 153 -6.411 -15.771 -3.316 1.00 0.00 H new ATOM 2157 N PHE A 154 -2.928 -12.660 -1.843 1.00 0.00 N ATOM 2158 CA PHE A 154 -2.082 -12.099 -0.747 1.00 0.00 C ATOM 2159 C PHE A 154 -2.910 -11.167 0.140 1.00 0.00 C ATOM 2160 O PHE A 154 -2.682 -11.076 1.325 1.00 0.00 O ATOM 2161 CB PHE A 154 -0.852 -11.389 -1.337 1.00 0.00 C ATOM 2162 CG PHE A 154 0.148 -10.986 -0.255 1.00 0.00 C ATOM 2163 CD1 PHE A 154 0.867 -11.959 0.454 1.00 0.00 C ATOM 2164 CD2 PHE A 154 0.266 -9.645 0.096 1.00 0.00 C ATOM 2165 CE1 PHE A 154 1.702 -11.577 1.498 1.00 0.00 C ATOM 2166 CE2 PHE A 154 1.078 -9.285 1.162 1.00 0.00 C ATOM 2167 CZ PHE A 154 1.818 -10.239 1.844 1.00 0.00 C ATOM 0 H PHE A 154 -2.579 -12.478 -2.784 1.00 0.00 H new ATOM 0 HA PHE A 154 -1.722 -12.913 -0.118 1.00 0.00 H new ATOM 0 HB2 PHE A 154 -0.363 -12.047 -2.056 1.00 0.00 H new ATOM 0 HB3 PHE A 154 -1.172 -10.502 -1.883 1.00 0.00 H new ATOM 0 HD1 PHE A 154 0.772 -13.002 0.190 1.00 0.00 H new ATOM 0 HD2 PHE A 154 -0.271 -8.889 -0.458 1.00 0.00 H new ATOM 0 HE1 PHE A 154 2.262 -12.324 2.041 1.00 0.00 H new ATOM 0 HE2 PHE A 154 1.134 -8.250 1.464 1.00 0.00 H new ATOM 0 HZ PHE A 154 2.482 -9.941 2.642 1.00 0.00 H new ATOM 2177 N LEU A 155 -3.868 -10.479 -0.426 1.00 0.00 N ATOM 2178 CA LEU A 155 -4.716 -9.555 0.381 1.00 0.00 C ATOM 2179 C LEU A 155 -5.395 -10.335 1.498 1.00 0.00 C ATOM 2180 O LEU A 155 -5.214 -10.039 2.657 1.00 0.00 O ATOM 2181 CB LEU A 155 -5.749 -8.869 -0.564 1.00 0.00 C ATOM 2182 CG LEU A 155 -5.159 -7.962 -1.662 1.00 0.00 C ATOM 2183 CD1 LEU A 155 -6.174 -7.734 -2.784 1.00 0.00 C ATOM 2184 CD2 LEU A 155 -4.694 -6.639 -1.057 1.00 0.00 C ATOM 0 H LEU A 155 -4.100 -10.519 -1.419 1.00 0.00 H new ATOM 0 HA LEU A 155 -4.109 -8.778 0.845 1.00 0.00 H new ATOM 0 HB2 LEU A 155 -6.346 -9.645 -1.043 1.00 0.00 H new ATOM 0 HB3 LEU A 155 -6.430 -8.274 0.045 1.00 0.00 H new ATOM 0 HG LEU A 155 -4.294 -8.460 -2.100 1.00 0.00 H new ATOM 0 HD11 LEU A 155 -5.735 -7.091 -3.547 1.00 0.00 H new ATOM 0 HD12 LEU A 155 -6.446 -8.691 -3.229 1.00 0.00 H new ATOM 0 HD13 LEU A 155 -7.065 -7.257 -2.377 1.00 0.00 H new ATOM 0 HD21 LEU A 155 -4.279 -6.006 -1.841 1.00 0.00 H new ATOM 0 HD22 LEU A 155 -5.541 -6.134 -0.593 1.00 0.00 H new ATOM 0 HD23 LEU A 155 -3.930 -6.832 -0.304 1.00 0.00 H new ATOM 2196 N LYS A 156 -6.161 -11.336 1.154 1.00 0.00 N ATOM 2197 CA LYS A 156 -6.843 -12.151 2.193 1.00 0.00 C ATOM 2198 C LYS A 156 -5.813 -12.990 2.948 1.00 0.00 C ATOM 2199 O LYS A 156 -6.030 -13.367 4.074 1.00 0.00 O ATOM 2200 CB LYS A 156 -7.771 -13.070 1.402 1.00 0.00 C ATOM 2201 CG LYS A 156 -9.085 -13.142 2.187 1.00 0.00 C ATOM 2202 CD LYS A 156 -10.245 -13.111 1.200 1.00 0.00 C ATOM 2203 CE LYS A 156 -10.531 -14.514 0.743 1.00 0.00 C ATOM 2204 NZ LYS A 156 -11.540 -15.148 1.602 1.00 0.00 N ATOM 0 H LYS A 156 -6.343 -11.623 0.192 1.00 0.00 H new ATOM 0 HA LYS A 156 -7.374 -11.542 2.924 1.00 0.00 H new ATOM 0 HB2 LYS A 156 -7.940 -12.680 0.398 1.00 0.00 H new ATOM 0 HB3 LYS A 156 -7.332 -14.061 1.289 1.00 0.00 H new ATOM 0 HG2 LYS A 156 -9.120 -14.054 2.783 1.00 0.00 H new ATOM 0 HG3 LYS A 156 -9.157 -12.305 2.881 1.00 0.00 H new ATOM 0 HD2 LYS A 156 -11.129 -12.680 1.670 1.00 0.00 H new ATOM 0 HD3 LYS A 156 -9.998 -12.479 0.347 1.00 0.00 H new ATOM 0 HE2 LYS A 156 -10.882 -14.500 -0.289 1.00 0.00 H new ATOM 0 HE3 LYS A 156 -9.613 -15.101 0.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 -11.220 -16.101 1.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 -11.674 -14.576 2.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 -12.441 -15.216 1.087 1.00 0.00 H new ATOM 2217 N MET A 157 -4.695 -13.281 2.335 1.00 0.00 N ATOM 2218 CA MET A 157 -3.644 -14.092 3.004 1.00 0.00 C ATOM 2219 C MET A 157 -3.134 -13.365 4.244 1.00 0.00 C ATOM 2220 O MET A 157 -2.948 -13.945 5.260 1.00 0.00 O ATOM 2221 CB MET A 157 -2.510 -14.465 2.012 1.00 0.00 C ATOM 2222 CG MET A 157 -2.102 -15.950 1.997 1.00 0.00 C ATOM 2223 SD MET A 157 -0.344 -16.158 1.643 1.00 0.00 S ATOM 2224 CE MET A 157 0.401 -15.381 3.090 1.00 0.00 C ATOM 0 H MET A 157 -4.466 -12.985 1.386 1.00 0.00 H new ATOM 0 HA MET A 157 -4.076 -15.036 3.337 1.00 0.00 H new ATOM 0 HB2 MET A 157 -2.823 -14.182 1.007 1.00 0.00 H new ATOM 0 HB3 MET A 157 -1.631 -13.867 2.252 1.00 0.00 H new ATOM 0 HG2 MET A 157 -2.334 -16.401 2.962 1.00 0.00 H new ATOM 0 HG3 MET A 157 -2.689 -16.481 1.248 1.00 0.00 H new ATOM 0 HE1 MET A 157 1.366 -15.845 3.296 1.00 0.00 H new ATOM 0 HE2 MET A 157 0.543 -14.317 2.899 1.00 0.00 H new ATOM 0 HE3 MET A 157 -0.255 -15.511 3.951 1.00 0.00 H new ATOM 2234 N MET A 158 -2.912 -12.101 4.166 1.00 0.00 N ATOM 2235 CA MET A 158 -2.419 -11.332 5.336 1.00 0.00 C ATOM 2236 C MET A 158 -3.404 -10.827 6.053 1.00 0.00 C ATOM 2237 O MET A 158 -3.499 -10.289 6.575 1.00 0.00 O ATOM 2238 CB MET A 158 -1.428 -10.239 4.828 1.00 0.00 C ATOM 2239 CG MET A 158 -0.519 -9.848 5.994 1.00 0.00 C ATOM 2240 SD MET A 158 0.717 -8.682 5.450 1.00 0.00 S ATOM 2241 CE MET A 158 2.007 -9.352 6.496 1.00 0.00 C ATOM 0 H MET A 158 -3.053 -11.546 3.322 1.00 0.00 H new ATOM 0 HA MET A 158 -1.892 -12.004 6.013 1.00 0.00 H new ATOM 0 HB2 MET A 158 -0.837 -10.618 3.994 1.00 0.00 H new ATOM 0 HB3 MET A 158 -1.974 -9.370 4.462 1.00 0.00 H new ATOM 0 HG2 MET A 158 -1.113 -9.411 6.797 1.00 0.00 H new ATOM 0 HG3 MET A 158 -0.037 -10.736 6.402 1.00 0.00 H new ATOM 0 HE1 MET A 158 2.911 -8.752 6.388 1.00 0.00 H new ATOM 0 HE2 MET A 158 1.680 -9.332 7.536 1.00 0.00 H new ATOM 0 HE3 MET A 158 2.217 -10.380 6.202 1.00 0.00 H new TER 2251 MET A 158 END