USER MOD reduce.3.24.130724 H: found=0, std=0, add=1949, rem=0, adj=62 USER MOD reduce.3.24.130724 removed 1949 hydrogens (45 hets) HEADER CELL ADHESION 26-OCT-07 2VER TITLE STRUCTURAL MODEL FOR THE COMPLEX BETWEEN THE DR ADHESINS TITLE 2 AND CARCINOEMBRYONIC ANTIGEN (CEA) COMPND MOL_ID: 1; COMPND 2 MOLECULE: AFIMBRIAL ADHESIN AFA-III; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: RESIDUES 38-160; COMPND 5 SYNONYM: AFAE; COMPND 6 ENGINEERED: YES; COMPND 7 MOL_ID: 2; COMPND 8 MOLECULE: ARCINOEMBRYONIC ANTIGEN-RELATED CELL ADHESION MOLECULE 5; COMPND 9 CHAIN: N; COMPND 0 FRAGMENT: N DOMAIN, RESIDUES 35-144; COMPND 1 SYNONYM: CEA, CARCINOEMBRYONIC ANTIGEN, MECONIUM ANTIGEN 100, CD66E COMPND 2 ANTIGEN; COMPND 3 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 3 ORGANISM_TAXID: 562; SOURCE 4 STRAIN: DR/AFA; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 511693; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21; SOURCE 8 MOL_ID: 2; SOURCE 9 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 0 ORGANISM_COMMON: HUMAN; SOURCE 1 ORGANISM_TAXID: 9606; SOURCE 2 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 3 EXPRESSION_SYSTEM_TAXID: 511693; SOURCE 4 EXPRESSION_SYSTEM_STRAIN: BL21 KEYWDS MEMBRANE, FIMBRIUM, GPI-ANCHOR, LIPOPROTEIN, IMMUNOGLOBULIN DOMAIN, KEYWDS 2 CELL ADHESION, CELL PROJECTION EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR N.KOROTKOVA,Y.YANG,I.LE TRONG,E.COTA,B.DEMELER,J.MARCHANT,W.E.THOMAS, AUTHOR 2 R.E.STENKAMP,S.L.MOSELEY,S.MATTHEWS REVDAT 4 18-MAY-11 2VER 1 VERSN REVDAT 3 24-FEB-09 2VER 1 VERSN REVDAT 2 22-JAN-08 2VER 1 JRNL REVDAT 1 08-JAN-08 2VER 0 JRNL AUTH N.KOROTKOVA,Y.YANG,I.LE TRONG,E.COTA,B.DEMELER,J.MARCHANT, JRNL AUTH 2 W.E.THOMAS,R.E.STENKAMP,S.L.MOSELEY,S.MATTHEWS JRNL TITL BINDING OF DR ADHESINS OF ESCHERICHIA COLI TO JRNL TITL 2 CARCINOEMBRYONIC ANTIGEN TRIGGERS RECEPTOR DISSOCIATION. JRNL REF MOL.MICROBIOL. V. 67 420 2008 JRNL REFN ISSN 0950-382X JRNL PMID 18086185 JRNL DOI 10.1111/J.1365-2958.2007.06054.X REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS, GROSSE- REMARK 3 KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU,READ, REMARK 3 RICE,SIMONSON,WARREN REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: WATER SHELL REMARK 4 REMARK 4 2VER COMPLIES WITH FORMAT V. 3.20, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 29-OCT-07. REMARK 100 THE PDBE ID CODE IS EBI-34231. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 303.0 REMARK 210 PH : 7.0 REMARK 210 IONIC STRENGTH : 2- MM REMARK 210 PRESSURE : 1.0 ATM REMARK 210 SAMPLE CONTENTS : 10% H20/90% D20 REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : HSQC REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ REMARK 210 SPECTROMETER MODEL : OTHER REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : CNS REMARK 210 METHOD USED : HADDOCK REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 200 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : REPRESENTATIVE STRUCTURE REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: STRUCTURE WAS DETERMINED USING NMR RESTRAINT DRIVEN REMARK 210 DOCKING (CHEMICAL SHIFTA AND PARAMAGNETIC RELAXATION REMARK 210 ENHANCEMENTS (PRES) 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 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, N REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 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 CYS A 3 94.02 -68.67 REMARK 500 ASP A 21 -95.71 60.23 REMARK 500 PRO A 108 103.26 -32.82 REMARK 500 LYS A 123 -118.12 58.61 REMARK 500 ASN A 125 -36.86 65.00 REMARK 500 ALA N 71 -4.30 73.67 REMARK 500 SER N 93 34.95 -79.05 REMARK 500 ASP N 94 19.30 -141.40 REMARK 500 LEU N 95 -38.21 73.91 REMARK 500 VAL N 96 93.24 -69.46 REMARK 500 ASN N 97 40.81 -97.44 REMARK 500 GLU N 98 116.65 -12.82 REMARK 500 REMARK 500 REMARK: NULL REMARK 700 REMARK 700 SHEET REMARK 700 THE SHEET STRUCTURE OF THIS MOLECULE IS BIFURCATED. IN REMARK 700 ORDER TO REPRESENT THIS FEATURE IN THE SHEET RECORDS BELOW, REMARK 700 TWO SHEETS ARE DEFINED. REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MTN N1111 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MTN N1112 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MTN N1113 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1E07 RELATED DB: PDB REMARK 900 THEORETICAL MODEL OF HUMAN CARCINOEMBRYONIC REMARK 900 ANTIGEN BY HOMOLOGY MODELLING AND CURVE- REMARK 900 FITTING TO EXPERIMENTAL SOLUTION SCATTERING REMARK 900 DATA REMARK 900 RELATED ID: 1UT2 RELATED DB: PDB REMARK 900 AFAE-3 ADHESIN FROM ESCHERICHIA COLI REMARK 900 RELATED ID: 1USZ RELATED DB: PDB REMARK 900 SEMET AFAE-3 ADHESIN FROM ESCHERICHIA COLI REMARK 900 RELATED ID: 2IXQ RELATED DB: PDB REMARK 900 THE SOLUTION STRUCTURE OF THE INVASIVE TIP REMARK 900 COMPLEX FROM AFA-DR FIBRILS REMARK 900 RELATED ID: 1RXL RELATED DB: PDB REMARK 900 SOLUTION STRUCTURE OF THE ENGINEERED PROTEIN REMARK 900 AFAE-DSC DBREF 2VER A 1 123 UNP Q57254 FMA3_ECOLX 38 160 DBREF 2VER N 1 110 UNP P06731 CEAM5_HUMAN 35 144 SEQADV 2VER ASP A 124 UNP Q57254 EXPRESSION TAG SEQADV 2VER ASN A 125 UNP Q57254 EXPRESSION TAG SEQADV 2VER LYS A 126 UNP Q57254 EXPRESSION TAG SEQADV 2VER GLN A 127 UNP Q57254 EXPRESSION TAG SEQADV 2VER GLY A 128 UNP Q57254 EXPRESSION TAG SEQADV 2VER PHE A 129 UNP Q57254 EXPRESSION TAG SEQADV 2VER THR A 130 UNP Q57254 EXPRESSION TAG SEQADV 2VER PRO A 131 UNP Q57254 EXPRESSION TAG SEQADV 2VER SER A 132 UNP Q57254 EXPRESSION TAG SEQADV 2VER GLY A 133 UNP Q57254 EXPRESSION TAG SEQADV 2VER THR A 134 UNP Q57254 EXPRESSION TAG SEQADV 2VER THR A 135 UNP Q57254 EXPRESSION TAG SEQADV 2VER GLY A 136 UNP Q57254 EXPRESSION TAG SEQADV 2VER THR A 137 UNP Q57254 EXPRESSION TAG SEQADV 2VER THR A 138 UNP Q57254 EXPRESSION TAG SEQADV 2VER LYS A 139 UNP Q57254 EXPRESSION TAG SEQADV 2VER LEU A 140 UNP Q57254 EXPRESSION TAG SEQADV 2VER THR A 141 UNP Q57254 EXPRESSION TAG SEQADV 2VER VAL A 142 UNP Q57254 EXPRESSION TAG SEQADV 2VER THR A 143 UNP Q57254 EXPRESSION TAG SEQADV 2VER CYS N 39 UNP P06731 VAL 73 CONFLICT SEQADV 2VER CYS N 43 UNP P06731 ARG 77 CONFLICT SEQADV 2VER CYS N 54 UNP P06731 GLN 88 CONFLICT SEQRES 1 A 143 GLU GLU CYS GLN VAL ARG VAL GLY ASP LEU THR VAL ALA SEQRES 2 A 143 LYS THR ARG GLY GLN LEU THR ASP ALA ALA PRO ILE GLY SEQRES 3 A 143 PRO VAL THR VAL GLN ALA LEU GLY CYS ASN ALA ARG GLN SEQRES 4 A 143 VAL ALA LEU LYS ALA ASP THR ASP ASN PHE GLU GLN GLY SEQRES 5 A 143 LYS PHE PHE LEU ILE SER ASP ASN ASN ARG ASP LYS LEU SEQRES 6 A 143 TYR VAL ASN ILE ARG PRO MET ASP ASN SER ALA TRP THR SEQRES 7 A 143 THR ASP ASN GLY VAL PHE TYR LYS ASN ASP VAL GLY SER SEQRES 8 A 143 TRP GLY GLY THR ILE GLY ILE TYR VAL ASP GLY GLN GLN SEQRES 9 A 143 THR ASN THR PRO PRO GLY ASN TYR THR LEU THR LEU THR SEQRES 10 A 143 GLY GLY TYR TRP ALA LYS ASP ASN LYS GLN GLY PHE THR SEQRES 11 A 143 PRO SER GLY THR THR GLY THR THR LYS LEU THR VAL THR SEQRES 1 N 110 LYS LEU THR ILE GLU SER THR PRO PHE ASN VAL ALA GLU SEQRES 2 N 110 GLY LYS GLU VAL LEU LEU LEU VAL HIS ASN LEU PRO GLN SEQRES 3 N 110 HIS LEU PHE GLY TYR SER TRP TYR LYS GLY GLU ARG CYS SEQRES 4 N 110 ASP GLY ASN CYS GLN ILE ILE GLY TYR VAL ILE GLY THR SEQRES 5 N 110 GLN CYS ALA THR PRO GLY PRO ALA TYR SER GLY ARG GLU SEQRES 6 N 110 ILE ILE TYR PRO ASN ALA SER LEU LEU ILE GLN ASN ILE SEQRES 7 N 110 ILE GLN ASN ASP THR GLY PHE TYR THR LEU HIS VAL ILE SEQRES 8 N 110 LYS SER ASP LEU VAL ASN GLU GLU ALA THR GLY GLN PHE SEQRES 9 N 110 ARG VAL TYR PRO GLU LEU HET MTN N1111 27 HET MTN N1112 27 HET MTN N1113 27 HETNAM MTN S-[(1-OXYL-2,2,5,5-TETRAMETHYL-2,5-DIHYDRO- HETNAM 2 MTN 1H-PYRROL-3-YL)METHYL] METHANESULFONOTHIOATE HETSYN MTN MTSL FORMUL 4 MTN 3(C9 H17 N O S2) HELIX 1 1 ILE N 79 THR N 83 5 5 SHEET 1 AA 7 LEU A 10 ALA A 13 0 SHEET 2 AA 7 GLY A 133 THR A 141 1 O THR A 137 N LEU A 10 SHEET 3 AA 7 GLN A 4 ARG A 6 1 O VAL A 5 N THR A 134 SHEET 4 AA 7 VAL A 28 LEU A 33 -1 O GLN A 31 N ARG A 6 SHEET 5 AA 7 GLY A 93 VAL A 100 -1 O GLY A 94 N VAL A 30 SHEET 6 AA 7 LYS A 64 PRO A 71 -1 O ASN A 68 N TYR A 99 SHEET 7 AA 7 LYS A 53 ILE A 57 -1 O PHE A 54 N VAL A 67 SHEET 1 AB 3 LEU A 10 ALA A 13 0 SHEET 2 AB 3 GLY A 133 THR A 141 1 O THR A 137 N LEU A 10 SHEET 3 AB 3 ASN A 111 ALA A 122 -1 O TYR A 112 N LEU A 140 SHEET 1 NA 4 THR N 3 THR N 7 0 SHEET 2 NA 4 VAL N 17 HIS N 22 -1 O LEU N 18 N THR N 7 SHEET 3 NA 4 LEU N 73 ILE N 75 -1 O LEU N 73 N LEU N 19 SHEET 4 NA 4 GLU N 65 ILE N 67 -1 O ILE N 66 N LEU N 74 SHEET 1 NB 6 ASN N 10 ALA N 12 0 SHEET 2 NB 6 GLU N 99 TYR N 107 1 O ARG N 105 N VAL N 11 SHEET 3 NB 6 GLY N 84 LYS N 92 -1 O GLY N 84 N PHE N 104 SHEET 4 NB 6 LEU N 28 TYR N 34 -1 N PHE N 29 O ILE N 91 SHEET 5 NB 6 GLN N 44 VAL N 49 -1 N ILE N 45 O TRP N 33 SHEET 6 NB 6 CYS N 54 PRO N 57 -1 O CYS N 54 N VAL N 49 SSBOND *** CYS A 3 CYS A 35 1555 1555 2.03 LINK SG CYS N 39 S1 MTN N1111 1555 1555 2.03 LINK SG CYS N 43 S1 MTN N1112 1555 1555 2.03 LINK SG CYS N 54 S1 MTN N1113 1555 1555 2.03 CISPEP 1 THR N 7 PRO N 8 1 -0.30 SITE *** AC1 6 MET A 72 CYS N 39 HIS N 89 LEU N 95 SITE *** AC1 6 ASN N 97 GLU N 99 SITE *** AC2 2 CYS N 43 PRO N 59 SITE *** AC3 2 THR N 52 CYS N 54 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: N 87 THR OG1 : rot 74:sc= 1.51 USER MOD Set 1.2: N 101 THR OG1 : rot -82:sc= 0.717 USER MOD Set 2.1: N 70 ASN : amide:sc= -0.914 K(o=-1.4,f=-9.1!) USER MOD Set 2.2: N 72 SER OG : rot 17:sc= -0.436 USER MOD Set 3.1: N 27 HIS : no HD1:sc= 1.07 K(o=2.5,f=-7.7!) USER MOD Set 3.2: N 93 SER OG : rot 111:sc= 1.45 USER MOD Set 4.1: A 111 ASN : amide:sc= -0.216 K(o=2.2,f=-9.8!) USER MOD Set 4.2: A 113 THR OG1 : rot -179:sc= 0.768 USER MOD Set 4.3: A 139 LYS NZ :NH3+ -178:sc= 1.6 (180deg=0) USER MOD Set 5.1: A 117 THR OG1 : rot -65:sc= 0.95 USER MOD Set 5.2: A 135 THR OG1 : rot 4:sc= 0.874 USER MOD Set 6.1: A 120 TYR OH : rot 180:sc= 0 USER MOD Set 6.2: A 130 THR OG1 : rot 180:sc= 0 USER MOD Set 7.1: A 104 GLN : amide:sc= -1.63! C(o=-1.9!,f=-8.5!) USER MOD Set 7.2: A 107 THR OG1 : rot -150:sc= -0.274 USER MOD Set 8.1: A 74 ASN : amide:sc= 0.925 K(o=1.8,f=-1.4!) USER MOD Set 8.2: A 95 THR OG1 : rot 43:sc= 0.889 USER MOD Set 9.1: A 75 SER OG : rot -90:sc= 0.633 USER MOD Set 9.2: A 86 LYS NZ :NH3+ 167:sc= 2.15 (180deg=1.22) USER MOD Set 9.3: N 42 ASN : amide:sc= -0.547 K(o=2.2,f=-2.6) USER MOD Set10.1: A 31 GLN : amide:sc= -0.65 K(o=-2.6,f=-8.5!) USER MOD Set10.2: N 44 GLN : amide:sc= -1.93 K(o=-2.6,f=-4.4!) USER MOD Single : A 1 GLU N :NH3+ -163:sc= -0.0404 (180deg=-0.32) USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 131:sc= -1.13 (180deg=-4.2!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0659 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 104:sc= -0.9 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= -0.104 K(o=-0.1,f=-3.3!) USER MOD Single : A 43 LYS NZ :NH3+ -170:sc= 0.332 (180deg=0.232) USER MOD Single : A 46 THR OG1 : rot -20:sc= 0.139 USER MOD Single : A 48 ASN : amide:sc= 0.0392 K(o=0.039,f=-2.1) USER MOD Single : A 51 GLN : amide:sc= -0.687 K(o=-0.69,f=0) USER MOD Single : A 53 LYS NZ :NH3+ -174:sc= 0.642 (180deg=0.567) USER MOD Single : A 58 SER OG : rot 170:sc= 0.0273 USER MOD Single : A 60 ASN : amide:sc= -0.0247 X(o=-0.025,f=-0.31) USER MOD Single : A 61 ASN : amide:sc= -0.466 K(o=-0.47,f=-1.6) USER MOD Single : A 64 LYS NZ :NH3+ -176:sc= 1.23 (180deg=1.12) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 MET CE :methyl -132:sc= -0.0891 (180deg=-4.52!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 59:sc= 0.455 USER MOD Single : A 81 ASN : amide:sc= 1.02 K(o=1,f=-0.033) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0.033 X(o=0.033,f=-0.023) USER MOD Single : A 91 SER OG : rot -72:sc= 1.31 USER MOD Single : A 99 TYR OH : rot 165:sc= -0.24 USER MOD Single : A 103 GLN : amide:sc= -0.0974! C(o=-0.097!,f=-3.5!) USER MOD Single : A 105 THR OG1 : rot 180:sc= -0.0694 USER MOD Single : A 106 ASN : amide:sc= -1.08 K(o=-1.1,f=-5.8!) USER MOD Single : A 112 TYR OH : rot 89:sc= -3.07! USER MOD Single : A 115 THR OG1 : rot 180:sc= -0.178 USER MOD Single : A 123 LYS NZ :NH3+ -130:sc= 1.26 (180deg=-0.518) USER MOD Single : A 125 ASN : amide:sc= 0.861 K(o=0.86,f=0) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 132 SER OG : rot 91:sc= 1.26 USER MOD Single : A 134 THR OG1 : rot -160:sc= -0.868 USER MOD Single : A 137 THR OG1 : rot 85:sc= 1.25 USER MOD Single : A 138 THR OG1 : rot 180:sc= 0 USER MOD Single : A 141 THR OG1 : rot 180:sc= 0 USER MOD Single : A 143 THR OG1 : rot 180:sc= -0.0799 USER MOD Single : N 1 LYS N :NH3+ 130:sc= 0.0586 (180deg=0) USER MOD Single : N 1 LYS NZ :NH3+ 168:sc=-0.00631 (180deg=-0.128) USER MOD Single : N 3 THR OG1 : rot 180:sc= 0 USER MOD Single : N 6 SER OG : rot 164:sc= 1.3 USER MOD Single : N 7 THR OG1 : rot 180:sc= 0 USER MOD Single : N 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : N 15 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00924) USER MOD Single : N 22 HIS : no HD1:sc= 0.963 K(o=0.96,f=-3.6!) USER MOD Single : N 23 ASN : amide:sc= -1.36! K(o=-1.4!,f=0.011) USER MOD Single : N 26 GLN : amide:sc= -0.907 K(o=-0.91,f=-0.075) USER MOD Single : N 31 TYR OH : rot 28:sc= 1 USER MOD Single : N 32 SER OG : rot 180:sc= 0 USER MOD Single : N 34 TYR OH : rot 120:sc= 0 USER MOD Single : N 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : N 48 TYR OH : rot 180:sc= 0 USER MOD Single : N 52 THR OG1 : rot 150:sc= -0.381 USER MOD Single : N 53 GLN : amide:sc= 0.825 K(o=0.82,f=0) USER MOD Single : N 56 THR OG1 : rot -110:sc= 0.573 USER MOD Single : N 61 TYR OH : rot 180:sc= 0 USER MOD Single : N 62 SER OG : rot -72:sc= 2.12 USER MOD Single : N 68 TYR OH : rot 120:sc= 0 USER MOD Single : N 76 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : N 77 ASN : amide:sc= -0.0492 K(o=-0.049,f=-1) USER MOD Single : N 80 GLN : amide:sc= 0.868 K(o=0.87,f=-0.99) USER MOD Single : N 81 ASN : amide:sc= -0.0923 K(o=-0.092,f=-1.5!) USER MOD Single : N 83 THR OG1 : rot 88:sc= 0.676 USER MOD Single : N 86 TYR OH : rot 180:sc= 0 USER MOD Single : N 89 HIS : no HE2:sc= -1.53 K(o=-1.5,f=-4!) USER MOD Single : N 92 LYS NZ :NH3+ -103:sc= 1.25 (180deg=-0.76!) USER MOD Single : N 97 ASN : amide:sc= -1.87 K(o=-1.9,f=-7.1!) USER MOD Single : N 103 GLN : amide:sc= -1.32! K(o=-1.3!,f=-0.22) USER MOD Single : N 107 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 1.099 17.072 -13.883 1.00 1.89 N ATOM 2 CA GLU A 1 1.457 16.479 -12.576 1.00 1.75 C ATOM 3 C GLU A 1 0.365 16.742 -11.549 1.00 1.66 C ATOM 4 O GLU A 1 -0.028 17.888 -11.327 1.00 1.70 O ATOM 5 CB GLU A 1 2.779 17.064 -12.080 1.00 1.84 C ATOM 6 CG GLU A 1 3.961 16.728 -12.970 1.00 1.92 C ATOM 7 CD GLU A 1 4.310 15.259 -12.937 1.00 2.03 C ATOM 8 OE1 GLU A 1 5.146 14.865 -12.100 1.00 2.16 O ATOM 9 OE2 GLU A 1 3.753 14.492 -13.749 1.00 1.98 O ATOM 0 H1 GLU A 1 1.690 16.652 -14.628 1.00 1.89 H new ATOM 0 H2 GLU A 1 0.097 16.882 -14.087 1.00 1.89 H new ATOM 0 H3 GLU A 1 1.258 18.099 -13.853 1.00 1.89 H new ATOM 0 HA GLU A 1 1.563 15.402 -12.706 1.00 1.75 H new ATOM 0 HB2 GLU A 1 2.684 18.148 -12.009 1.00 1.84 H new ATOM 0 HB3 GLU A 1 2.976 16.695 -11.073 1.00 1.84 H new ATOM 0 HG2 GLU A 1 3.735 17.022 -13.995 1.00 1.92 H new ATOM 0 HG3 GLU A 1 4.826 17.311 -12.655 1.00 1.92 H new ATOM 18 N GLU A 2 -0.131 15.682 -10.932 1.00 1.57 N ATOM 19 CA GLU A 2 -1.167 15.799 -9.919 1.00 1.49 C ATOM 20 C GLU A 2 -1.132 14.583 -9.005 1.00 1.40 C ATOM 21 O GLU A 2 -0.421 13.616 -9.284 1.00 1.41 O ATOM 22 CB GLU A 2 -2.554 15.955 -10.561 1.00 1.50 C ATOM 23 CG GLU A 2 -2.967 14.797 -11.461 1.00 1.52 C ATOM 24 CD GLU A 2 -4.236 15.092 -12.237 1.00 1.60 C ATOM 25 OE1 GLU A 2 -5.339 14.905 -11.682 1.00 1.75 O ATOM 26 OE2 GLU A 2 -4.136 15.514 -13.409 1.00 1.88 O ATOM 0 H GLU A 2 0.170 14.725 -11.117 1.00 1.57 H new ATOM 0 HA GLU A 2 -0.975 16.694 -9.328 1.00 1.49 H new ATOM 0 HB2 GLU A 2 -3.296 16.067 -9.770 1.00 1.50 H new ATOM 0 HB3 GLU A 2 -2.569 16.876 -11.145 1.00 1.50 H new ATOM 0 HG2 GLU A 2 -2.160 14.578 -12.160 1.00 1.52 H new ATOM 0 HG3 GLU A 2 -3.115 13.904 -10.854 1.00 1.52 H new ATOM 33 N CYS A 3 -1.880 14.644 -7.913 1.00 1.33 N ATOM 34 CA CYS A 3 -1.938 13.545 -6.961 1.00 1.25 C ATOM 35 C CYS A 3 -2.646 12.349 -7.574 1.00 1.20 C ATOM 36 O CYS A 3 -3.870 12.253 -7.523 1.00 1.16 O ATOM 37 CB CYS A 3 -2.678 13.969 -5.696 1.00 1.22 C ATOM 38 SG CYS A 3 -1.818 15.222 -4.700 1.00 1.29 S ATOM 0 H CYS A 3 -2.458 15.447 -7.664 1.00 1.33 H new ATOM 0 HA CYS A 3 -0.915 13.269 -6.704 1.00 1.25 H new ATOM 0 HB2 CYS A 3 -3.657 14.356 -5.977 1.00 1.22 H new ATOM 0 HB3 CYS A 3 -2.849 13.087 -5.078 1.00 1.22 H new ATOM 43 N GLN A 4 -1.882 11.436 -8.146 1.00 1.20 N ATOM 44 CA GLN A 4 -2.464 10.264 -8.771 1.00 1.17 C ATOM 45 C GLN A 4 -2.290 9.047 -7.883 1.00 1.10 C ATOM 46 O GLN A 4 -1.172 8.676 -7.528 1.00 1.12 O ATOM 47 CB GLN A 4 -1.825 10.007 -10.137 1.00 1.26 C ATOM 48 CG GLN A 4 -1.986 11.165 -11.108 1.00 1.39 C ATOM 49 CD GLN A 4 -1.322 10.909 -12.446 1.00 1.50 C ATOM 50 OE1 GLN A 4 -0.332 10.181 -12.541 1.00 1.60 O ATOM 51 NE2 GLN A 4 -1.866 11.503 -13.492 1.00 1.68 N ATOM 0 H GLN A 4 -0.864 11.483 -8.190 1.00 1.20 H new ATOM 0 HA GLN A 4 -3.529 10.449 -8.912 1.00 1.17 H new ATOM 0 HB2 GLN A 4 -0.763 9.803 -10.000 1.00 1.26 H new ATOM 0 HB3 GLN A 4 -2.268 9.112 -10.574 1.00 1.26 H new ATOM 0 HG2 GLN A 4 -3.048 11.356 -11.265 1.00 1.39 H new ATOM 0 HG3 GLN A 4 -1.563 12.066 -10.664 1.00 1.39 H new ATOM 0 HE21 GLN A 4 -2.686 12.098 -13.371 1.00 1.68 H new ATOM 0 HE22 GLN A 4 -1.467 11.367 -14.421 1.00 1.68 H new ATOM 60 N VAL A 5 -3.402 8.434 -7.528 1.00 1.03 N ATOM 61 CA VAL A 5 -3.392 7.251 -6.692 1.00 0.97 C ATOM 62 C VAL A 5 -3.849 6.064 -7.517 1.00 0.99 C ATOM 63 O VAL A 5 -4.941 6.082 -8.088 1.00 0.99 O ATOM 64 CB VAL A 5 -4.313 7.410 -5.464 1.00 0.88 C ATOM 65 CG1 VAL A 5 -4.185 6.213 -4.533 1.00 0.83 C ATOM 66 CG2 VAL A 5 -3.999 8.697 -4.721 1.00 0.90 C ATOM 0 H VAL A 5 -4.333 8.740 -7.810 1.00 1.03 H new ATOM 0 HA VAL A 5 -2.377 7.098 -6.327 1.00 0.97 H new ATOM 0 HB VAL A 5 -5.343 7.459 -5.818 1.00 0.88 H new ATOM 0 HG11 VAL A 5 -4.843 6.348 -3.675 1.00 0.83 H new ATOM 0 HG12 VAL A 5 -4.466 5.305 -5.067 1.00 0.83 H new ATOM 0 HG13 VAL A 5 -3.154 6.128 -4.190 1.00 0.83 H new ATOM 0 HG21 VAL A 5 -4.659 8.790 -3.859 1.00 0.90 H new ATOM 0 HG22 VAL A 5 -2.963 8.679 -4.384 1.00 0.90 H new ATOM 0 HG23 VAL A 5 -4.149 9.547 -5.386 1.00 0.90 H new ATOM 76 N ARG A 6 -3.013 5.046 -7.608 1.00 1.03 N ATOM 77 CA ARG A 6 -3.360 3.879 -8.391 1.00 1.09 C ATOM 78 C ARG A 6 -4.048 2.820 -7.538 1.00 1.01 C ATOM 79 O ARG A 6 -3.408 2.129 -6.745 1.00 1.01 O ATOM 80 CB ARG A 6 -2.106 3.288 -9.052 1.00 1.22 C ATOM 81 CG ARG A 6 -2.328 1.904 -9.648 1.00 1.54 C ATOM 82 CD ARG A 6 -1.039 1.291 -10.190 1.00 2.04 C ATOM 83 NE ARG A 6 0.119 1.537 -9.324 1.00 2.55 N ATOM 84 CZ ARG A 6 0.330 0.946 -8.145 1.00 3.22 C ATOM 85 NH1 ARG A 6 -0.554 0.086 -7.651 1.00 3.56 N ATOM 86 NH2 ARG A 6 1.436 1.219 -7.462 1.00 4.04 N ATOM 0 H ARG A 6 -2.100 5.005 -7.155 1.00 1.03 H new ATOM 0 HA ARG A 6 -4.059 4.195 -9.165 1.00 1.09 H new ATOM 0 HB2 ARG A 6 -1.767 3.963 -9.838 1.00 1.22 H new ATOM 0 HB3 ARG A 6 -1.307 3.233 -8.313 1.00 1.22 H new ATOM 0 HG2 ARG A 6 -2.748 1.247 -8.887 1.00 1.54 H new ATOM 0 HG3 ARG A 6 -3.062 1.971 -10.452 1.00 1.54 H new ATOM 0 HD2 ARG A 6 -1.176 0.216 -10.308 1.00 2.04 H new ATOM 0 HD3 ARG A 6 -0.838 1.698 -11.181 1.00 2.04 H new ATOM 0 HE ARG A 6 0.815 2.209 -9.646 1.00 2.55 H new ATOM 0 HH11 ARG A 6 -1.404 -0.128 -8.173 1.00 3.56 H new ATOM 0 HH12 ARG A 6 -0.383 -0.360 -6.750 1.00 3.56 H new ATOM 0 HH21 ARG A 6 2.119 1.877 -7.838 1.00 4.04 H new ATOM 0 HH22 ARG A 6 1.603 0.771 -6.561 1.00 4.04 H new ATOM 100 N VAL A 7 -5.362 2.718 -7.689 1.00 0.99 N ATOM 101 CA VAL A 7 -6.135 1.701 -6.992 1.00 0.95 C ATOM 102 C VAL A 7 -6.401 0.548 -7.958 1.00 1.04 C ATOM 103 O VAL A 7 -6.871 0.766 -9.076 1.00 1.12 O ATOM 104 CB VAL A 7 -7.474 2.250 -6.452 1.00 0.88 C ATOM 105 CG1 VAL A 7 -8.137 1.235 -5.528 1.00 0.86 C ATOM 106 CG2 VAL A 7 -7.262 3.570 -5.726 1.00 0.85 C ATOM 0 H VAL A 7 -5.915 3.329 -8.290 1.00 0.99 H new ATOM 0 HA VAL A 7 -5.559 1.362 -6.131 1.00 0.95 H new ATOM 0 HB VAL A 7 -8.135 2.428 -7.301 1.00 0.88 H new ATOM 0 HG11 VAL A 7 -9.079 1.640 -5.158 1.00 0.86 H new ATOM 0 HG12 VAL A 7 -8.330 0.314 -6.078 1.00 0.86 H new ATOM 0 HG13 VAL A 7 -7.477 1.024 -4.686 1.00 0.86 H new ATOM 0 HG21 VAL A 7 -8.218 3.938 -5.354 1.00 0.85 H new ATOM 0 HG22 VAL A 7 -6.581 3.419 -4.889 1.00 0.85 H new ATOM 0 HG23 VAL A 7 -6.835 4.299 -6.414 1.00 0.85 H new ATOM 116 N GLY A 8 -6.082 -0.668 -7.538 1.00 1.07 N ATOM 117 CA GLY A 8 -6.272 -1.817 -8.404 1.00 1.19 C ATOM 118 C GLY A 8 -7.547 -2.585 -8.124 1.00 1.13 C ATOM 119 O GLY A 8 -8.035 -2.609 -6.995 1.00 1.08 O ATOM 0 H GLY A 8 -5.697 -0.880 -6.618 1.00 1.07 H new ATOM 0 HA2 GLY A 8 -6.280 -1.482 -9.441 1.00 1.19 H new ATOM 0 HA3 GLY A 8 -5.421 -2.489 -8.293 1.00 1.19 H new ATOM 123 N ASP A 9 -8.087 -3.207 -9.164 1.00 1.17 N ATOM 124 CA ASP A 9 -9.304 -4.000 -9.047 1.00 1.16 C ATOM 125 C ASP A 9 -8.980 -5.347 -8.420 1.00 1.19 C ATOM 126 O ASP A 9 -7.877 -5.869 -8.603 1.00 1.31 O ATOM 127 CB ASP A 9 -9.935 -4.230 -10.425 1.00 1.25 C ATOM 128 CG ASP A 9 -10.180 -2.949 -11.194 1.00 1.49 C ATOM 129 OD1 ASP A 9 -11.341 -2.503 -11.263 1.00 1.97 O ATOM 130 OD2 ASP A 9 -9.212 -2.390 -11.750 1.00 2.14 O ATOM 0 H ASP A 9 -7.697 -3.177 -10.106 1.00 1.17 H new ATOM 0 HA ASP A 9 -10.009 -3.455 -8.419 1.00 1.16 H new ATOM 0 HB2 ASP A 9 -9.284 -4.878 -11.011 1.00 1.25 H new ATOM 0 HB3 ASP A 9 -10.881 -4.757 -10.300 1.00 1.25 H new ATOM 135 N LEU A 10 -9.932 -5.919 -7.698 1.00 1.19 N ATOM 136 CA LEU A 10 -9.712 -7.205 -7.053 1.00 1.26 C ATOM 137 C LEU A 10 -11.017 -7.958 -6.818 1.00 1.23 C ATOM 138 O LEU A 10 -11.967 -7.422 -6.246 1.00 1.17 O ATOM 139 CB LEU A 10 -8.984 -7.010 -5.720 1.00 1.35 C ATOM 140 CG LEU A 10 -7.486 -7.320 -5.749 1.00 1.68 C ATOM 141 CD1 LEU A 10 -6.801 -6.759 -4.515 1.00 1.83 C ATOM 142 CD2 LEU A 10 -7.254 -8.822 -5.849 1.00 2.53 C ATOM 0 H LEU A 10 -10.857 -5.517 -7.545 1.00 1.19 H new ATOM 0 HA LEU A 10 -9.097 -7.803 -7.726 1.00 1.26 H new ATOM 0 HB2 LEU A 10 -9.120 -5.978 -5.397 1.00 1.35 H new ATOM 0 HB3 LEU A 10 -9.456 -7.644 -4.969 1.00 1.35 H new ATOM 0 HG LEU A 10 -7.054 -6.844 -6.629 1.00 1.68 H new ATOM 0 HD11 LEU A 10 -5.736 -6.989 -4.553 1.00 1.83 H new ATOM 0 HD12 LEU A 10 -6.937 -5.678 -4.483 1.00 1.83 H new ATOM 0 HD13 LEU A 10 -7.237 -7.206 -3.622 1.00 1.83 H new ATOM 0 HD21 LEU A 10 -6.183 -9.024 -5.868 1.00 2.53 H new ATOM 0 HD22 LEU A 10 -7.701 -9.317 -4.987 1.00 2.53 H new ATOM 0 HD23 LEU A 10 -7.711 -9.201 -6.763 1.00 2.53 H new ATOM 154 N THR A 11 -11.060 -9.194 -7.286 1.00 1.31 N ATOM 155 CA THR A 11 -12.214 -10.054 -7.097 1.00 1.34 C ATOM 156 C THR A 11 -11.807 -11.227 -6.215 1.00 1.39 C ATOM 157 O THR A 11 -10.892 -11.978 -6.554 1.00 1.48 O ATOM 158 CB THR A 11 -12.754 -10.589 -8.439 1.00 1.48 C ATOM 159 OG1 THR A 11 -12.959 -9.506 -9.359 1.00 1.91 O ATOM 160 CG2 THR A 11 -14.061 -11.346 -8.239 1.00 1.67 C ATOM 0 H THR A 11 -10.298 -9.628 -7.806 1.00 1.31 H new ATOM 0 HA THR A 11 -13.006 -9.470 -6.628 1.00 1.34 H new ATOM 0 HB THR A 11 -12.014 -11.276 -8.849 1.00 1.48 H new ATOM 0 HG1 THR A 11 -13.300 -9.858 -10.208 1.00 1.91 H new ATOM 0 HG21 THR A 11 -14.420 -11.713 -9.201 1.00 1.67 H new ATOM 0 HG22 THR A 11 -13.894 -12.189 -7.569 1.00 1.67 H new ATOM 0 HG23 THR A 11 -14.805 -10.679 -7.804 1.00 1.67 H new ATOM 168 N VAL A 12 -12.469 -11.377 -5.077 1.00 1.35 N ATOM 169 CA VAL A 12 -12.138 -12.456 -4.155 1.00 1.43 C ATOM 170 C VAL A 12 -13.400 -13.112 -3.607 1.00 1.42 C ATOM 171 O VAL A 12 -14.451 -12.468 -3.485 1.00 1.38 O ATOM 172 CB VAL A 12 -11.272 -11.958 -2.970 1.00 1.47 C ATOM 173 CG1 VAL A 12 -10.648 -13.132 -2.230 1.00 1.80 C ATOM 174 CG2 VAL A 12 -10.186 -10.995 -3.439 1.00 1.74 C ATOM 0 H VAL A 12 -13.231 -10.772 -4.771 1.00 1.35 H new ATOM 0 HA VAL A 12 -11.563 -13.187 -4.724 1.00 1.43 H new ATOM 0 HB VAL A 12 -11.929 -11.420 -2.287 1.00 1.47 H new ATOM 0 HG11 VAL A 12 -10.044 -12.761 -1.402 1.00 1.80 H new ATOM 0 HG12 VAL A 12 -11.436 -13.779 -1.843 1.00 1.80 H new ATOM 0 HG13 VAL A 12 -10.016 -13.699 -2.914 1.00 1.80 H new ATOM 0 HG21 VAL A 12 -9.597 -10.665 -2.583 1.00 1.74 H new ATOM 0 HG22 VAL A 12 -9.536 -11.500 -4.153 1.00 1.74 H new ATOM 0 HG23 VAL A 12 -10.648 -10.131 -3.916 1.00 1.74 H new ATOM 184 N ALA A 13 -13.278 -14.394 -3.283 1.00 1.48 N ATOM 185 CA ALA A 13 -14.378 -15.164 -2.739 1.00 1.52 C ATOM 186 C ALA A 13 -14.288 -15.212 -1.218 1.00 1.52 C ATOM 187 O ALA A 13 -13.365 -15.810 -0.659 1.00 1.58 O ATOM 188 CB ALA A 13 -14.372 -16.568 -3.317 1.00 1.62 C ATOM 0 H ALA A 13 -12.413 -14.924 -3.392 1.00 1.48 H new ATOM 0 HA ALA A 13 -15.315 -14.680 -3.014 1.00 1.52 H new ATOM 0 HB1 ALA A 13 -15.203 -17.137 -2.900 1.00 1.62 H new ATOM 0 HB2 ALA A 13 -14.475 -16.516 -4.401 1.00 1.62 H new ATOM 0 HB3 ALA A 13 -13.433 -17.061 -3.065 1.00 1.62 H new ATOM 194 N LYS A 14 -15.238 -14.570 -0.557 1.00 1.49 N ATOM 195 CA LYS A 14 -15.269 -14.527 0.897 1.00 1.53 C ATOM 196 C LYS A 14 -16.671 -14.209 1.393 1.00 1.50 C ATOM 197 O LYS A 14 -17.479 -13.619 0.672 1.00 1.46 O ATOM 198 CB LYS A 14 -14.270 -13.490 1.427 1.00 1.52 C ATOM 199 CG LYS A 14 -14.298 -12.169 0.676 1.00 1.85 C ATOM 200 CD LYS A 14 -12.912 -11.560 0.579 1.00 2.09 C ATOM 201 CE LYS A 14 -12.916 -10.294 -0.262 1.00 2.63 C ATOM 202 NZ LYS A 14 -11.537 -9.805 -0.534 1.00 3.14 N ATOM 0 H LYS A 14 -16.003 -14.068 -1.008 1.00 1.49 H new ATOM 0 HA LYS A 14 -14.983 -15.509 1.273 1.00 1.53 H new ATOM 0 HB2 LYS A 14 -14.480 -13.303 2.480 1.00 1.52 H new ATOM 0 HB3 LYS A 14 -13.264 -13.907 1.372 1.00 1.52 H new ATOM 0 HG2 LYS A 14 -14.699 -12.326 -0.325 1.00 1.85 H new ATOM 0 HG3 LYS A 14 -14.968 -11.474 1.183 1.00 1.85 H new ATOM 0 HD2 LYS A 14 -12.543 -11.332 1.579 1.00 2.09 H new ATOM 0 HD3 LYS A 14 -12.225 -12.285 0.143 1.00 2.09 H new ATOM 0 HE2 LYS A 14 -13.426 -10.487 -1.206 1.00 2.63 H new ATOM 0 HE3 LYS A 14 -13.482 -9.518 0.253 1.00 2.63 H new ATOM 0 HZ1 LYS A 14 -11.433 -9.608 -1.550 1.00 3.14 H new ATOM 0 HZ2 LYS A 14 -11.364 -8.934 0.007 1.00 3.14 H new ATOM 0 HZ3 LYS A 14 -10.849 -10.531 -0.250 1.00 3.14 H new ATOM 216 N THR A 15 -16.954 -14.611 2.618 1.00 1.54 N ATOM 217 CA THR A 15 -18.247 -14.374 3.225 1.00 1.55 C ATOM 218 C THR A 15 -18.238 -13.076 4.024 1.00 1.48 C ATOM 219 O THR A 15 -17.178 -12.539 4.346 1.00 1.44 O ATOM 220 CB THR A 15 -18.623 -15.541 4.151 1.00 1.67 C ATOM 221 OG1 THR A 15 -17.432 -16.154 4.661 1.00 1.79 O ATOM 222 CG2 THR A 15 -19.455 -16.574 3.410 1.00 1.77 C ATOM 0 H THR A 15 -16.296 -15.109 3.217 1.00 1.54 H new ATOM 0 HA THR A 15 -18.985 -14.293 2.427 1.00 1.55 H new ATOM 0 HB THR A 15 -19.217 -15.150 4.977 1.00 1.67 H new ATOM 0 HG1 THR A 15 -17.674 -16.897 5.253 1.00 1.79 H new ATOM 0 HG21 THR A 15 -19.709 -17.390 4.087 1.00 1.77 H new ATOM 0 HG22 THR A 15 -20.370 -16.109 3.043 1.00 1.77 H new ATOM 0 HG23 THR A 15 -18.884 -16.965 2.568 1.00 1.77 H new ATOM 230 N ARG A 16 -19.424 -12.586 4.358 1.00 1.47 N ATOM 231 CA ARG A 16 -19.554 -11.356 5.126 1.00 1.43 C ATOM 232 C ARG A 16 -19.237 -11.620 6.595 1.00 1.49 C ATOM 233 O ARG A 16 -19.074 -10.694 7.387 1.00 1.50 O ATOM 234 CB ARG A 16 -20.963 -10.780 4.973 1.00 1.44 C ATOM 235 CG ARG A 16 -21.215 -10.156 3.608 1.00 1.37 C ATOM 236 CD ARG A 16 -22.701 -9.975 3.334 1.00 1.41 C ATOM 237 NE ARG A 16 -23.208 -8.684 3.794 1.00 1.33 N ATOM 238 CZ ARG A 16 -24.452 -8.255 3.565 1.00 1.36 C ATOM 239 NH1 ARG A 16 -25.335 -9.039 2.959 1.00 1.46 N ATOM 240 NH2 ARG A 16 -24.825 -7.055 3.969 1.00 1.37 N ATOM 0 H ARG A 16 -20.311 -13.023 4.108 1.00 1.47 H new ATOM 0 HA ARG A 16 -18.842 -10.624 4.744 1.00 1.43 H new ATOM 0 HB2 ARG A 16 -21.692 -11.572 5.142 1.00 1.44 H new ATOM 0 HB3 ARG A 16 -21.126 -10.027 5.744 1.00 1.44 H new ATOM 0 HG2 ARG A 16 -20.715 -9.189 3.553 1.00 1.37 H new ATOM 0 HG3 ARG A 16 -20.777 -10.786 2.834 1.00 1.37 H new ATOM 0 HD2 ARG A 16 -22.883 -10.071 2.264 1.00 1.41 H new ATOM 0 HD3 ARG A 16 -23.256 -10.774 3.825 1.00 1.41 H new ATOM 0 HE ARG A 16 -22.578 -8.077 4.319 1.00 1.33 H new ATOM 0 HH11 ARG A 16 -25.066 -9.978 2.664 1.00 1.46 H new ATOM 0 HH12 ARG A 16 -26.283 -8.703 2.788 1.00 1.46 H new ATOM 0 HH21 ARG A 16 -24.163 -6.453 4.457 1.00 1.37 H new ATOM 0 HH22 ARG A 16 -25.776 -6.730 3.793 1.00 1.37 H new ATOM 254 N GLY A 17 -19.163 -12.900 6.946 1.00 1.56 N ATOM 255 CA GLY A 17 -18.859 -13.292 8.309 1.00 1.62 C ATOM 256 C GLY A 17 -17.370 -13.316 8.577 1.00 1.61 C ATOM 257 O GLY A 17 -16.941 -13.298 9.731 1.00 1.66 O ATOM 0 H GLY A 17 -19.310 -13.679 6.304 1.00 1.56 H new ATOM 0 HA2 GLY A 17 -19.340 -12.600 9.000 1.00 1.62 H new ATOM 0 HA3 GLY A 17 -19.278 -14.279 8.503 1.00 1.62 H new ATOM 261 N GLN A 18 -16.579 -13.357 7.510 1.00 1.57 N ATOM 262 CA GLN A 18 -15.126 -13.360 7.638 1.00 1.57 C ATOM 263 C GLN A 18 -14.658 -11.974 8.068 1.00 1.49 C ATOM 264 O GLN A 18 -13.557 -11.798 8.595 1.00 1.51 O ATOM 265 CB GLN A 18 -14.473 -13.761 6.307 1.00 1.56 C ATOM 266 CG GLN A 18 -12.957 -13.873 6.376 1.00 1.64 C ATOM 267 CD GLN A 18 -12.313 -14.065 5.016 1.00 1.70 C ATOM 268 OE1 GLN A 18 -12.877 -14.707 4.130 1.00 1.74 O ATOM 269 NE2 GLN A 18 -11.125 -13.506 4.839 1.00 1.79 N ATOM 0 H GLN A 18 -16.919 -13.389 6.549 1.00 1.57 H new ATOM 0 HA GLN A 18 -14.830 -14.089 8.392 1.00 1.57 H new ATOM 0 HB2 GLN A 18 -14.884 -14.718 5.985 1.00 1.56 H new ATOM 0 HB3 GLN A 18 -14.740 -13.027 5.547 1.00 1.56 H new ATOM 0 HG2 GLN A 18 -12.553 -12.973 6.839 1.00 1.64 H new ATOM 0 HG3 GLN A 18 -12.689 -14.711 7.020 1.00 1.64 H new ATOM 0 HE21 GLN A 18 -10.690 -12.981 5.598 1.00 1.79 H new ATOM 0 HE22 GLN A 18 -10.645 -13.600 3.944 1.00 1.79 H new ATOM 278 N LEU A 19 -15.529 -10.996 7.858 1.00 1.42 N ATOM 279 CA LEU A 19 -15.246 -9.616 8.206 1.00 1.35 C ATOM 280 C LEU A 19 -15.509 -9.371 9.689 1.00 1.41 C ATOM 281 O LEU A 19 -16.500 -8.743 10.068 1.00 1.42 O ATOM 282 CB LEU A 19 -16.099 -8.669 7.356 1.00 1.29 C ATOM 283 CG LEU A 19 -15.522 -8.294 5.988 1.00 1.21 C ATOM 284 CD1 LEU A 19 -14.114 -7.741 6.132 1.00 1.17 C ATOM 285 CD2 LEU A 19 -15.537 -9.490 5.049 1.00 1.25 C ATOM 0 H LEU A 19 -16.449 -11.140 7.442 1.00 1.42 H new ATOM 0 HA LEU A 19 -14.193 -9.420 8.004 1.00 1.35 H new ATOM 0 HB2 LEU A 19 -17.075 -9.129 7.203 1.00 1.29 H new ATOM 0 HB3 LEU A 19 -16.264 -7.753 7.923 1.00 1.29 H new ATOM 0 HG LEU A 19 -16.151 -7.516 5.556 1.00 1.21 H new ATOM 0 HD11 LEU A 19 -13.723 -7.481 5.148 1.00 1.17 H new ATOM 0 HD12 LEU A 19 -14.135 -6.851 6.761 1.00 1.17 H new ATOM 0 HD13 LEU A 19 -13.473 -8.494 6.590 1.00 1.17 H new ATOM 0 HD21 LEU A 19 -15.123 -9.200 4.084 1.00 1.25 H new ATOM 0 HD22 LEU A 19 -14.937 -10.294 5.475 1.00 1.25 H new ATOM 0 HD23 LEU A 19 -16.562 -9.834 4.915 1.00 1.25 H new ATOM 297 N THR A 20 -14.627 -9.891 10.525 1.00 1.47 N ATOM 298 CA THR A 20 -14.748 -9.725 11.963 1.00 1.54 C ATOM 299 C THR A 20 -14.065 -8.429 12.408 1.00 1.47 C ATOM 300 O THR A 20 -12.853 -8.392 12.626 1.00 1.49 O ATOM 301 CB THR A 20 -14.166 -10.944 12.723 1.00 1.66 C ATOM 302 OG1 THR A 20 -14.051 -10.668 14.126 1.00 1.72 O ATOM 303 CG2 THR A 20 -12.808 -11.356 12.166 1.00 1.66 C ATOM 0 H THR A 20 -13.815 -10.434 10.231 1.00 1.47 H new ATOM 0 HA THR A 20 -15.808 -9.661 12.208 1.00 1.54 H new ATOM 0 HB THR A 20 -14.861 -11.771 12.580 1.00 1.66 H new ATOM 0 HG1 THR A 20 -13.683 -11.452 14.585 1.00 1.72 H new ATOM 0 HG21 THR A 20 -12.431 -12.214 12.723 1.00 1.66 H new ATOM 0 HG22 THR A 20 -12.912 -11.624 11.115 1.00 1.66 H new ATOM 0 HG23 THR A 20 -12.109 -10.525 12.261 1.00 1.66 H new ATOM 311 N ASP A 21 -14.865 -7.367 12.524 1.00 1.42 N ATOM 312 CA ASP A 21 -14.379 -6.041 12.916 1.00 1.38 C ATOM 313 C ASP A 21 -13.346 -5.544 11.912 1.00 1.29 C ATOM 314 O ASP A 21 -13.706 -4.996 10.869 1.00 1.24 O ATOM 315 CB ASP A 21 -13.802 -6.040 14.338 1.00 1.47 C ATOM 316 CG ASP A 21 -13.458 -4.641 14.813 1.00 1.45 C ATOM 317 OD1 ASP A 21 -14.392 -3.865 15.120 1.00 1.49 O ATOM 318 OD2 ASP A 21 -12.254 -4.313 14.898 1.00 1.52 O ATOM 0 H ASP A 21 -15.869 -7.401 12.349 1.00 1.42 H new ATOM 0 HA ASP A 21 -15.230 -5.360 12.916 1.00 1.38 H new ATOM 0 HB2 ASP A 21 -14.523 -6.487 15.022 1.00 1.47 H new ATOM 0 HB3 ASP A 21 -12.908 -6.662 14.366 1.00 1.47 H new ATOM 323 N ALA A 22 -12.069 -5.747 12.206 1.00 1.32 N ATOM 324 CA ALA A 22 -11.024 -5.326 11.298 1.00 1.26 C ATOM 325 C ALA A 22 -10.355 -6.541 10.679 1.00 1.29 C ATOM 326 O ALA A 22 -9.456 -7.147 11.269 1.00 1.38 O ATOM 327 CB ALA A 22 -9.999 -4.462 12.014 1.00 1.30 C ATOM 0 H ALA A 22 -11.739 -6.197 13.060 1.00 1.32 H new ATOM 0 HA ALA A 22 -11.474 -4.727 10.506 1.00 1.26 H new ATOM 0 HB1 ALA A 22 -9.224 -4.158 11.310 1.00 1.30 H new ATOM 0 HB2 ALA A 22 -10.489 -3.576 12.419 1.00 1.30 H new ATOM 0 HB3 ALA A 22 -9.548 -5.031 12.827 1.00 1.30 H new ATOM 333 N ALA A 23 -10.824 -6.909 9.501 1.00 1.24 N ATOM 334 CA ALA A 23 -10.273 -8.034 8.773 1.00 1.29 C ATOM 335 C ALA A 23 -9.856 -7.592 7.379 1.00 1.23 C ATOM 336 O ALA A 23 -10.713 -7.323 6.537 1.00 1.18 O ATOM 337 CB ALA A 23 -11.284 -9.169 8.695 1.00 1.36 C ATOM 0 H ALA A 23 -11.594 -6.438 9.025 1.00 1.24 H new ATOM 0 HA ALA A 23 -9.394 -8.401 9.304 1.00 1.29 H new ATOM 0 HB1 ALA A 23 -10.851 -10.004 8.145 1.00 1.36 H new ATOM 0 HB2 ALA A 23 -11.544 -9.494 9.702 1.00 1.36 H new ATOM 0 HB3 ALA A 23 -12.181 -8.822 8.182 1.00 1.36 H new ATOM 343 N PRO A 24 -8.548 -7.479 7.114 1.00 1.25 N ATOM 344 CA PRO A 24 -8.066 -7.064 5.800 1.00 1.22 C ATOM 345 C PRO A 24 -8.302 -8.149 4.758 1.00 1.26 C ATOM 346 O PRO A 24 -7.530 -9.104 4.638 1.00 1.35 O ATOM 347 CB PRO A 24 -6.572 -6.826 6.021 1.00 1.28 C ATOM 348 CG PRO A 24 -6.216 -7.673 7.197 1.00 1.41 C ATOM 349 CD PRO A 24 -7.448 -7.748 8.058 1.00 1.34 C ATOM 0 HA PRO A 24 -8.582 -6.182 5.422 1.00 1.22 H new ATOM 0 HB2 PRO A 24 -5.993 -7.108 5.142 1.00 1.28 H new ATOM 0 HB3 PRO A 24 -6.364 -5.774 6.215 1.00 1.28 H new ATOM 0 HG2 PRO A 24 -5.904 -8.668 6.878 1.00 1.41 H new ATOM 0 HG3 PRO A 24 -5.382 -7.239 7.749 1.00 1.41 H new ATOM 0 HD2 PRO A 24 -7.551 -8.727 8.525 1.00 1.34 H new ATOM 0 HD3 PRO A 24 -7.421 -7.012 8.862 1.00 1.34 H new ATOM 357 N ILE A 25 -9.371 -7.990 3.998 1.00 1.21 N ATOM 358 CA ILE A 25 -9.731 -8.958 2.978 1.00 1.27 C ATOM 359 C ILE A 25 -9.096 -8.618 1.635 1.00 1.29 C ATOM 360 O ILE A 25 -9.779 -8.191 0.701 1.00 1.55 O ATOM 361 CB ILE A 25 -11.263 -9.062 2.816 1.00 1.32 C ATOM 362 CG1 ILE A 25 -11.909 -7.671 2.872 1.00 1.33 C ATOM 363 CG2 ILE A 25 -11.842 -9.972 3.890 1.00 1.45 C ATOM 364 CD1 ILE A 25 -13.314 -7.630 2.312 1.00 1.30 C ATOM 0 H ILE A 25 -10.007 -7.196 4.069 1.00 1.21 H new ATOM 0 HA ILE A 25 -9.347 -9.922 3.310 1.00 1.27 H new ATOM 0 HB ILE A 25 -11.483 -9.495 1.840 1.00 1.32 H new ATOM 0 HG12 ILE A 25 -11.930 -7.331 3.908 1.00 1.33 H new ATOM 0 HG13 ILE A 25 -11.286 -6.968 2.319 1.00 1.33 H new ATOM 0 HG21 ILE A 25 -12.923 -10.038 3.767 1.00 1.45 H new ATOM 0 HG22 ILE A 25 -11.405 -10.966 3.799 1.00 1.45 H new ATOM 0 HG23 ILE A 25 -11.614 -9.564 4.875 1.00 1.45 H new ATOM 0 HD11 ILE A 25 -13.705 -6.615 2.385 1.00 1.30 H new ATOM 0 HD12 ILE A 25 -13.298 -7.938 1.267 1.00 1.30 H new ATOM 0 HD13 ILE A 25 -13.952 -8.307 2.880 1.00 1.30 H new ATOM 376 N GLY A 26 -7.791 -8.821 1.542 1.00 1.36 N ATOM 377 CA GLY A 26 -7.084 -8.540 0.310 1.00 1.43 C ATOM 378 C GLY A 26 -6.207 -7.310 0.416 1.00 1.27 C ATOM 379 O GLY A 26 -6.710 -6.209 0.626 1.00 1.18 O ATOM 0 H GLY A 26 -7.207 -9.176 2.299 1.00 1.36 H new ATOM 0 HA2 GLY A 26 -6.469 -9.399 0.043 1.00 1.43 H new ATOM 0 HA3 GLY A 26 -7.805 -8.401 -0.496 1.00 1.43 H new ATOM 383 N PRO A 27 -4.883 -7.468 0.289 1.00 1.34 N ATOM 384 CA PRO A 27 -3.951 -6.356 0.361 1.00 1.26 C ATOM 385 C PRO A 27 -3.727 -5.706 -1.001 1.00 1.17 C ATOM 386 O PRO A 27 -3.208 -6.333 -1.927 1.00 1.29 O ATOM 387 CB PRO A 27 -2.665 -7.014 0.858 1.00 1.47 C ATOM 388 CG PRO A 27 -2.753 -8.457 0.453 1.00 1.78 C ATOM 389 CD PRO A 27 -4.188 -8.743 0.067 1.00 1.60 C ATOM 0 HA PRO A 27 -4.313 -5.553 1.004 1.00 1.26 H new ATOM 0 HB2 PRO A 27 -1.789 -6.538 0.418 1.00 1.47 H new ATOM 0 HB3 PRO A 27 -2.571 -6.918 1.940 1.00 1.47 H new ATOM 0 HG2 PRO A 27 -2.085 -8.660 -0.384 1.00 1.78 H new ATOM 0 HG3 PRO A 27 -2.442 -9.104 1.274 1.00 1.78 H new ATOM 0 HD2 PRO A 27 -4.265 -9.062 -0.972 1.00 1.60 H new ATOM 0 HD3 PRO A 27 -4.613 -9.540 0.677 1.00 1.60 H new ATOM 397 N VAL A 28 -4.124 -4.449 -1.123 1.00 1.02 N ATOM 398 CA VAL A 28 -3.957 -3.722 -2.371 1.00 0.97 C ATOM 399 C VAL A 28 -2.759 -2.784 -2.289 1.00 0.97 C ATOM 400 O VAL A 28 -2.772 -1.816 -1.524 1.00 0.93 O ATOM 401 CB VAL A 28 -5.213 -2.897 -2.729 1.00 0.90 C ATOM 402 CG1 VAL A 28 -5.242 -2.580 -4.216 1.00 0.93 C ATOM 403 CG2 VAL A 28 -6.480 -3.625 -2.306 1.00 0.94 C ATOM 0 H VAL A 28 -4.563 -3.912 -0.375 1.00 1.02 H new ATOM 0 HA VAL A 28 -3.795 -4.466 -3.151 1.00 0.97 H new ATOM 0 HB VAL A 28 -5.167 -1.956 -2.181 1.00 0.90 H new ATOM 0 HG11 VAL A 28 -6.135 -1.999 -4.447 1.00 0.93 H new ATOM 0 HG12 VAL A 28 -4.355 -2.005 -4.483 1.00 0.93 H new ATOM 0 HG13 VAL A 28 -5.257 -3.509 -4.786 1.00 0.93 H new ATOM 0 HG21 VAL A 28 -7.350 -3.024 -2.569 1.00 0.94 H new ATOM 0 HG22 VAL A 28 -6.535 -4.586 -2.817 1.00 0.94 H new ATOM 0 HG23 VAL A 28 -6.464 -3.788 -1.228 1.00 0.94 H new ATOM 413 N THR A 29 -1.724 -3.087 -3.062 1.00 1.04 N ATOM 414 CA THR A 29 -0.522 -2.268 -3.093 1.00 1.07 C ATOM 415 C THR A 29 -0.783 -0.971 -3.849 1.00 1.01 C ATOM 416 O THR A 29 -0.712 -0.929 -5.081 1.00 1.05 O ATOM 417 CB THR A 29 0.637 -3.022 -3.764 1.00 1.18 C ATOM 418 OG1 THR A 29 0.451 -4.434 -3.600 1.00 1.50 O ATOM 419 CG2 THR A 29 1.973 -2.608 -3.164 1.00 1.39 C ATOM 0 H THR A 29 -1.694 -3.899 -3.679 1.00 1.04 H new ATOM 0 HA THR A 29 -0.247 -2.039 -2.063 1.00 1.07 H new ATOM 0 HB THR A 29 0.644 -2.772 -4.825 1.00 1.18 H new ATOM 0 HG1 THR A 29 0.132 -4.822 -4.442 1.00 1.50 H new ATOM 0 HG21 THR A 29 2.778 -3.155 -3.655 1.00 1.39 H new ATOM 0 HG22 THR A 29 2.121 -1.538 -3.309 1.00 1.39 H new ATOM 0 HG23 THR A 29 1.979 -2.834 -2.098 1.00 1.39 H new ATOM 427 N VAL A 30 -1.086 0.083 -3.111 1.00 0.96 N ATOM 428 CA VAL A 30 -1.381 1.367 -3.716 1.00 0.93 C ATOM 429 C VAL A 30 -0.311 2.401 -3.392 1.00 0.97 C ATOM 430 O VAL A 30 0.151 2.523 -2.249 1.00 0.99 O ATOM 431 CB VAL A 30 -2.765 1.901 -3.288 1.00 0.88 C ATOM 432 CG1 VAL A 30 -3.869 0.977 -3.779 1.00 1.39 C ATOM 433 CG2 VAL A 30 -2.844 2.077 -1.779 1.00 1.26 C ATOM 0 H VAL A 30 -1.134 0.073 -2.092 1.00 0.96 H new ATOM 0 HA VAL A 30 -1.393 1.202 -4.793 1.00 0.93 H new ATOM 0 HB VAL A 30 -2.904 2.880 -3.746 1.00 0.88 H new ATOM 0 HG11 VAL A 30 -4.837 1.369 -3.468 1.00 1.39 H new ATOM 0 HG12 VAL A 30 -3.835 0.915 -4.867 1.00 1.39 H new ATOM 0 HG13 VAL A 30 -3.727 -0.017 -3.355 1.00 1.39 H new ATOM 0 HG21 VAL A 30 -3.830 2.454 -1.508 1.00 1.26 H new ATOM 0 HG22 VAL A 30 -2.676 1.117 -1.291 1.00 1.26 H new ATOM 0 HG23 VAL A 30 -2.083 2.786 -1.455 1.00 1.26 H new ATOM 443 N GLN A 31 0.103 3.112 -4.421 1.00 1.01 N ATOM 444 CA GLN A 31 1.099 4.151 -4.287 1.00 1.08 C ATOM 445 C GLN A 31 0.545 5.442 -4.871 1.00 1.06 C ATOM 446 O GLN A 31 -0.152 5.419 -5.889 1.00 1.06 O ATOM 447 CB GLN A 31 2.397 3.758 -4.997 1.00 1.21 C ATOM 448 CG GLN A 31 3.350 2.933 -4.143 1.00 1.46 C ATOM 449 CD GLN A 31 2.899 1.494 -3.967 1.00 1.83 C ATOM 450 OE1 GLN A 31 2.300 0.900 -4.864 1.00 2.41 O ATOM 451 NE2 GLN A 31 3.180 0.925 -2.805 1.00 2.47 N ATOM 0 H GLN A 31 -0.242 2.985 -5.372 1.00 1.01 H new ATOM 0 HA GLN A 31 1.329 4.294 -3.231 1.00 1.08 H new ATOM 0 HB2 GLN A 31 2.150 3.192 -5.895 1.00 1.21 H new ATOM 0 HB3 GLN A 31 2.909 4.664 -5.321 1.00 1.21 H new ATOM 0 HG2 GLN A 31 4.340 2.944 -4.600 1.00 1.46 H new ATOM 0 HG3 GLN A 31 3.446 3.400 -3.163 1.00 1.46 H new ATOM 0 HE21 GLN A 31 3.678 1.451 -2.087 1.00 2.47 H new ATOM 0 HE22 GLN A 31 2.898 -0.039 -2.628 1.00 2.47 H new ATOM 460 N ALA A 32 0.835 6.554 -4.222 1.00 1.07 N ATOM 461 CA ALA A 32 0.349 7.845 -4.674 1.00 1.07 C ATOM 462 C ALA A 32 1.476 8.688 -5.248 1.00 1.17 C ATOM 463 O ALA A 32 2.512 8.879 -4.609 1.00 1.26 O ATOM 464 CB ALA A 32 -0.334 8.580 -3.531 1.00 1.03 C ATOM 0 H ALA A 32 1.406 6.590 -3.378 1.00 1.07 H new ATOM 0 HA ALA A 32 -0.378 7.673 -5.468 1.00 1.07 H new ATOM 0 HB1 ALA A 32 -0.694 9.547 -3.883 1.00 1.03 H new ATOM 0 HB2 ALA A 32 -1.176 7.989 -3.170 1.00 1.03 H new ATOM 0 HB3 ALA A 32 0.377 8.732 -2.719 1.00 1.03 H new ATOM 470 N LEU A 33 1.266 9.177 -6.459 1.00 1.19 N ATOM 471 CA LEU A 33 2.241 10.016 -7.132 1.00 1.30 C ATOM 472 C LEU A 33 1.956 11.474 -6.814 1.00 1.29 C ATOM 473 O LEU A 33 0.834 11.947 -7.006 1.00 1.25 O ATOM 474 CB LEU A 33 2.196 9.786 -8.647 1.00 1.36 C ATOM 475 CG LEU A 33 2.621 8.391 -9.101 1.00 1.60 C ATOM 476 CD1 LEU A 33 2.041 8.082 -10.472 1.00 2.39 C ATOM 477 CD2 LEU A 33 4.139 8.282 -9.126 1.00 1.87 C ATOM 0 H LEU A 33 0.419 9.004 -7.000 1.00 1.19 H new ATOM 0 HA LEU A 33 3.239 9.756 -6.778 1.00 1.30 H new ATOM 0 HB2 LEU A 33 1.181 9.972 -8.998 1.00 1.36 H new ATOM 0 HB3 LEU A 33 2.840 10.521 -9.130 1.00 1.36 H new ATOM 0 HG LEU A 33 2.235 7.660 -8.390 1.00 1.60 H new ATOM 0 HD11 LEU A 33 2.352 7.085 -10.782 1.00 2.39 H new ATOM 0 HD12 LEU A 33 0.953 8.124 -10.425 1.00 2.39 H new ATOM 0 HD13 LEU A 33 2.401 8.815 -11.193 1.00 2.39 H new ATOM 0 HD21 LEU A 33 4.427 7.282 -9.451 1.00 1.87 H new ATOM 0 HD22 LEU A 33 4.545 9.020 -9.818 1.00 1.87 H new ATOM 0 HD23 LEU A 33 4.533 8.466 -8.127 1.00 1.87 H new ATOM 489 N GLY A 34 2.959 12.174 -6.311 1.00 1.37 N ATOM 490 CA GLY A 34 2.788 13.568 -5.966 1.00 1.39 C ATOM 491 C GLY A 34 2.290 13.735 -4.546 1.00 1.35 C ATOM 492 O GLY A 34 2.618 12.927 -3.675 1.00 1.34 O ATOM 0 H GLY A 34 3.892 11.800 -6.135 1.00 1.37 H new ATOM 0 HA2 GLY A 34 3.737 14.091 -6.083 1.00 1.39 H new ATOM 0 HA3 GLY A 34 2.082 14.030 -6.656 1.00 1.39 H new ATOM 496 N CYS A 35 1.490 14.772 -4.323 1.00 1.36 N ATOM 497 CA CYS A 35 0.931 15.073 -3.006 1.00 1.35 C ATOM 498 C CYS A 35 2.029 15.231 -1.963 1.00 1.38 C ATOM 499 O CYS A 35 2.098 14.480 -0.997 1.00 1.36 O ATOM 500 CB CYS A 35 -0.052 13.981 -2.568 1.00 1.29 C ATOM 501 SG CYS A 35 -1.803 14.400 -2.846 1.00 1.29 S ATOM 0 H CYS A 35 1.209 15.430 -5.050 1.00 1.36 H new ATOM 0 HA CYS A 35 0.394 16.018 -3.087 1.00 1.35 H new ATOM 0 HB2 CYS A 35 0.180 13.062 -3.106 1.00 1.29 H new ATOM 0 HB3 CYS A 35 0.098 13.777 -1.508 1.00 1.29 H new ATOM 506 N ASN A 36 2.873 16.229 -2.150 1.00 1.46 N ATOM 507 CA ASN A 36 3.956 16.489 -1.213 1.00 1.52 C ATOM 508 C ASN A 36 3.430 17.276 -0.021 1.00 1.53 C ATOM 509 O ASN A 36 3.928 17.147 1.096 1.00 1.56 O ATOM 510 CB ASN A 36 5.086 17.259 -1.901 1.00 1.65 C ATOM 511 CG ASN A 36 6.405 17.164 -1.158 1.00 1.79 C ATOM 512 OD1 ASN A 36 7.195 16.245 -1.385 1.00 1.89 O ATOM 513 ND2 ASN A 36 6.662 18.122 -0.281 1.00 1.95 N ATOM 0 H ASN A 36 2.832 16.873 -2.940 1.00 1.46 H new ATOM 0 HA ASN A 36 4.354 15.537 -0.862 1.00 1.52 H new ATOM 0 HB2 ASN A 36 5.217 16.875 -2.913 1.00 1.65 H new ATOM 0 HB3 ASN A 36 4.801 18.307 -1.992 1.00 1.65 H new ATOM 0 HD21 ASN A 36 7.541 18.117 0.236 1.00 1.95 H new ATOM 0 HD22 ASN A 36 5.981 18.865 -0.123 1.00 1.95 H new ATOM 520 N ALA A 37 2.412 18.088 -0.272 1.00 1.53 N ATOM 521 CA ALA A 37 1.803 18.904 0.769 1.00 1.57 C ATOM 522 C ALA A 37 0.284 18.749 0.766 1.00 1.50 C ATOM 523 O ALA A 37 -0.433 19.520 1.405 1.00 1.56 O ATOM 524 CB ALA A 37 2.189 20.365 0.579 1.00 1.72 C ATOM 0 H ALA A 37 1.989 18.199 -1.193 1.00 1.53 H new ATOM 0 HA ALA A 37 2.174 18.563 1.735 1.00 1.57 H new ATOM 0 HB1 ALA A 37 1.729 20.968 1.362 1.00 1.72 H new ATOM 0 HB2 ALA A 37 3.273 20.465 0.634 1.00 1.72 H new ATOM 0 HB3 ALA A 37 1.842 20.709 -0.395 1.00 1.72 H new ATOM 530 N ARG A 38 -0.202 17.738 0.060 1.00 1.40 N ATOM 531 CA ARG A 38 -1.635 17.489 -0.027 1.00 1.33 C ATOM 532 C ARG A 38 -1.975 16.158 0.635 1.00 1.23 C ATOM 533 O ARG A 38 -1.124 15.275 0.739 1.00 1.23 O ATOM 534 CB ARG A 38 -2.088 17.490 -1.491 1.00 1.33 C ATOM 535 CG ARG A 38 -3.600 17.519 -1.679 1.00 1.32 C ATOM 536 CD ARG A 38 -4.143 18.942 -1.691 1.00 1.38 C ATOM 537 NE ARG A 38 -3.938 19.595 -2.985 1.00 1.51 N ATOM 538 CZ ARG A 38 -4.802 20.451 -3.537 1.00 1.63 C ATOM 539 NH1 ARG A 38 -5.920 20.781 -2.901 1.00 1.73 N ATOM 540 NH2 ARG A 38 -4.545 20.982 -4.725 1.00 1.86 N ATOM 0 H ARG A 38 0.374 17.077 -0.461 1.00 1.40 H new ATOM 0 HA ARG A 38 -2.163 18.286 0.497 1.00 1.33 H new ATOM 0 HB2 ARG A 38 -1.654 18.355 -1.993 1.00 1.33 H new ATOM 0 HB3 ARG A 38 -1.689 16.603 -1.983 1.00 1.33 H new ATOM 0 HG2 ARG A 38 -3.859 17.024 -2.615 1.00 1.32 H new ATOM 0 HG3 ARG A 38 -4.077 16.955 -0.877 1.00 1.32 H new ATOM 0 HD2 ARG A 38 -5.208 18.926 -1.457 1.00 1.38 H new ATOM 0 HD3 ARG A 38 -3.654 19.524 -0.910 1.00 1.38 H new ATOM 0 HE ARG A 38 -3.082 19.383 -3.497 1.00 1.51 H new ATOM 0 HH11 ARG A 38 -6.123 20.380 -1.985 1.00 1.73 H new ATOM 0 HH12 ARG A 38 -6.576 21.435 -3.328 1.00 1.73 H new ATOM 0 HH21 ARG A 38 -3.687 20.737 -5.218 1.00 1.86 H new ATOM 0 HH22 ARG A 38 -5.206 21.636 -5.145 1.00 1.86 H new ATOM 554 N GLN A 39 -3.211 16.027 1.089 1.00 1.18 N ATOM 555 CA GLN A 39 -3.660 14.813 1.748 1.00 1.09 C ATOM 556 C GLN A 39 -4.202 13.812 0.734 1.00 1.02 C ATOM 557 O GLN A 39 -4.990 14.170 -0.145 1.00 1.02 O ATOM 558 CB GLN A 39 -4.744 15.141 2.776 1.00 1.08 C ATOM 559 CG GLN A 39 -4.333 16.200 3.786 1.00 1.24 C ATOM 560 CD GLN A 39 -5.473 16.600 4.702 1.00 1.25 C ATOM 561 OE1 GLN A 39 -5.646 16.043 5.785 1.00 1.29 O ATOM 562 NE2 GLN A 39 -6.262 17.572 4.271 1.00 1.50 N ATOM 0 H GLN A 39 -3.925 16.752 1.012 1.00 1.18 H new ATOM 0 HA GLN A 39 -2.804 14.367 2.254 1.00 1.09 H new ATOM 0 HB2 GLN A 39 -5.638 15.480 2.252 1.00 1.08 H new ATOM 0 HB3 GLN A 39 -5.014 14.229 3.309 1.00 1.08 H new ATOM 0 HG2 GLN A 39 -3.504 15.824 4.385 1.00 1.24 H new ATOM 0 HG3 GLN A 39 -3.970 17.081 3.257 1.00 1.24 H new ATOM 0 HE21 GLN A 39 -6.085 18.009 3.366 1.00 1.50 H new ATOM 0 HE22 GLN A 39 -7.046 17.884 4.844 1.00 1.50 H new ATOM 571 N VAL A 40 -3.764 12.567 0.854 1.00 0.97 N ATOM 572 CA VAL A 40 -4.218 11.503 -0.031 1.00 0.91 C ATOM 573 C VAL A 40 -5.550 10.969 0.483 1.00 0.83 C ATOM 574 O VAL A 40 -5.699 10.735 1.685 1.00 0.83 O ATOM 575 CB VAL A 40 -3.188 10.354 -0.107 1.00 0.91 C ATOM 576 CG1 VAL A 40 -3.609 9.314 -1.133 1.00 0.87 C ATOM 577 CG2 VAL A 40 -1.803 10.894 -0.432 1.00 1.01 C ATOM 0 H VAL A 40 -3.091 12.267 1.560 1.00 0.97 H new ATOM 0 HA VAL A 40 -4.335 11.911 -1.035 1.00 0.91 H new ATOM 0 HB VAL A 40 -3.149 9.872 0.870 1.00 0.91 H new ATOM 0 HG11 VAL A 40 -2.867 8.516 -1.167 1.00 0.87 H new ATOM 0 HG12 VAL A 40 -4.577 8.898 -0.853 1.00 0.87 H new ATOM 0 HG13 VAL A 40 -3.685 9.781 -2.115 1.00 0.87 H new ATOM 0 HG21 VAL A 40 -1.093 10.069 -0.481 1.00 1.01 H new ATOM 0 HG22 VAL A 40 -1.829 11.408 -1.393 1.00 1.01 H new ATOM 0 HG23 VAL A 40 -1.494 11.593 0.345 1.00 1.01 H new ATOM 587 N ALA A 41 -6.514 10.771 -0.410 1.00 0.79 N ATOM 588 CA ALA A 41 -7.828 10.307 0.006 1.00 0.73 C ATOM 589 C ALA A 41 -8.447 9.306 -0.961 1.00 0.69 C ATOM 590 O ALA A 41 -8.215 9.354 -2.174 1.00 0.73 O ATOM 591 CB ALA A 41 -8.756 11.497 0.167 1.00 0.76 C ATOM 0 H ALA A 41 -6.411 10.923 -1.413 1.00 0.79 H new ATOM 0 HA ALA A 41 -7.695 9.788 0.955 1.00 0.73 H new ATOM 0 HB1 ALA A 41 -9.741 11.150 0.479 1.00 0.76 H new ATOM 0 HB2 ALA A 41 -8.353 12.173 0.922 1.00 0.76 H new ATOM 0 HB3 ALA A 41 -8.841 12.024 -0.784 1.00 0.76 H new ATOM 597 N LEU A 42 -9.283 8.438 -0.409 1.00 0.64 N ATOM 598 CA LEU A 42 -9.986 7.420 -1.173 1.00 0.61 C ATOM 599 C LEU A 42 -11.483 7.703 -1.123 1.00 0.60 C ATOM 600 O LEU A 42 -12.042 7.938 -0.048 1.00 0.59 O ATOM 601 CB LEU A 42 -9.698 6.029 -0.606 1.00 0.59 C ATOM 602 CG LEU A 42 -8.236 5.582 -0.678 1.00 0.63 C ATOM 603 CD1 LEU A 42 -7.988 4.432 0.285 1.00 0.66 C ATOM 604 CD2 LEU A 42 -7.867 5.177 -2.099 1.00 0.70 C ATOM 0 H LEU A 42 -9.493 8.421 0.589 1.00 0.64 H new ATOM 0 HA LEU A 42 -9.641 7.446 -2.207 1.00 0.61 H new ATOM 0 HB2 LEU A 42 -10.016 6.007 0.436 1.00 0.59 H new ATOM 0 HB3 LEU A 42 -10.309 5.303 -1.142 1.00 0.59 H new ATOM 0 HG LEU A 42 -7.604 6.421 -0.388 1.00 0.63 H new ATOM 0 HD11 LEU A 42 -6.944 4.124 0.223 1.00 0.66 H new ATOM 0 HD12 LEU A 42 -8.212 4.754 1.302 1.00 0.66 H new ATOM 0 HD13 LEU A 42 -8.630 3.592 0.021 1.00 0.66 H new ATOM 0 HD21 LEU A 42 -6.824 4.863 -2.128 1.00 0.70 H new ATOM 0 HD22 LEU A 42 -8.504 4.352 -2.419 1.00 0.70 H new ATOM 0 HD23 LEU A 42 -8.009 6.026 -2.768 1.00 0.70 H new ATOM 616 N LYS A 43 -12.114 7.702 -2.291 1.00 0.63 N ATOM 617 CA LYS A 43 -13.543 7.979 -2.416 1.00 0.65 C ATOM 618 C LYS A 43 -14.188 6.963 -3.348 1.00 0.66 C ATOM 619 O LYS A 43 -13.626 6.629 -4.388 1.00 0.69 O ATOM 620 CB LYS A 43 -13.803 9.396 -2.953 1.00 0.73 C ATOM 621 CG LYS A 43 -12.625 10.352 -2.829 1.00 0.74 C ATOM 622 CD LYS A 43 -11.714 10.281 -4.047 1.00 0.78 C ATOM 623 CE LYS A 43 -10.744 11.449 -4.091 1.00 0.83 C ATOM 624 NZ LYS A 43 -9.912 11.538 -2.864 1.00 0.80 N ATOM 0 H LYS A 43 -11.651 7.509 -3.179 1.00 0.63 H new ATOM 0 HA LYS A 43 -13.981 7.906 -1.420 1.00 0.65 H new ATOM 0 HB2 LYS A 43 -14.086 9.325 -4.003 1.00 0.73 H new ATOM 0 HB3 LYS A 43 -14.655 9.820 -2.421 1.00 0.73 H new ATOM 0 HG2 LYS A 43 -12.994 11.371 -2.709 1.00 0.74 H new ATOM 0 HG3 LYS A 43 -12.054 10.112 -1.932 1.00 0.74 H new ATOM 0 HD2 LYS A 43 -11.156 9.345 -4.030 1.00 0.78 H new ATOM 0 HD3 LYS A 43 -12.319 10.275 -4.954 1.00 0.78 H new ATOM 0 HE2 LYS A 43 -10.095 11.347 -4.961 1.00 0.83 H new ATOM 0 HE3 LYS A 43 -11.302 12.377 -4.217 1.00 0.83 H new ATOM 0 HZ1 LYS A 43 -9.390 12.438 -2.863 1.00 0.80 H new ATOM 0 HZ2 LYS A 43 -10.525 11.492 -2.025 1.00 0.80 H new ATOM 0 HZ3 LYS A 43 -9.237 10.747 -2.844 1.00 0.80 H new ATOM 638 N ALA A 44 -15.360 6.478 -2.984 1.00 0.66 N ATOM 639 CA ALA A 44 -16.054 5.490 -3.794 1.00 0.69 C ATOM 640 C ALA A 44 -16.836 6.158 -4.922 1.00 0.77 C ATOM 641 O ALA A 44 -17.222 7.324 -4.820 1.00 0.80 O ATOM 642 CB ALA A 44 -16.981 4.651 -2.929 1.00 0.69 C ATOM 0 H ALA A 44 -15.853 6.751 -2.134 1.00 0.66 H new ATOM 0 HA ALA A 44 -15.307 4.835 -4.243 1.00 0.69 H new ATOM 0 HB1 ALA A 44 -17.493 3.916 -3.551 1.00 0.69 H new ATOM 0 HB2 ALA A 44 -16.399 4.137 -2.164 1.00 0.69 H new ATOM 0 HB3 ALA A 44 -17.717 5.298 -2.451 1.00 0.69 H new ATOM 648 N ASP A 45 -17.021 5.416 -6.011 1.00 0.82 N ATOM 649 CA ASP A 45 -17.752 5.902 -7.184 1.00 0.91 C ATOM 650 C ASP A 45 -19.162 6.331 -6.788 1.00 0.95 C ATOM 651 O ASP A 45 -19.685 5.856 -5.790 1.00 0.92 O ATOM 652 CB ASP A 45 -17.819 4.799 -8.240 1.00 0.96 C ATOM 653 CG ASP A 45 -18.544 5.232 -9.495 1.00 1.07 C ATOM 654 OD1 ASP A 45 -19.755 4.953 -9.611 1.00 1.14 O ATOM 655 OD2 ASP A 45 -17.905 5.852 -10.367 1.00 1.21 O ATOM 0 H ASP A 45 -16.670 4.463 -6.108 1.00 0.82 H new ATOM 0 HA ASP A 45 -17.228 6.764 -7.596 1.00 0.91 H new ATOM 0 HB2 ASP A 45 -16.807 4.489 -8.499 1.00 0.96 H new ATOM 0 HB3 ASP A 45 -18.321 3.928 -7.818 1.00 0.96 H new ATOM 660 N THR A 46 -19.794 7.176 -7.597 1.00 1.03 N ATOM 661 CA THR A 46 -21.130 7.680 -7.286 1.00 1.09 C ATOM 662 C THR A 46 -22.170 6.560 -7.198 1.00 1.11 C ATOM 663 O THR A 46 -23.225 6.741 -6.595 1.00 1.15 O ATOM 664 CB THR A 46 -21.592 8.734 -8.319 1.00 1.19 C ATOM 665 OG1 THR A 46 -22.840 9.313 -7.914 1.00 1.29 O ATOM 666 CG2 THR A 46 -21.740 8.122 -9.705 1.00 1.28 C ATOM 0 H THR A 46 -19.404 7.526 -8.472 1.00 1.03 H new ATOM 0 HA THR A 46 -21.054 8.150 -6.306 1.00 1.09 H new ATOM 0 HB THR A 46 -20.828 9.510 -8.365 1.00 1.19 H new ATOM 0 HG1 THR A 46 -23.282 8.721 -7.271 1.00 1.29 H new ATOM 0 HG21 THR A 46 -22.066 8.888 -10.408 1.00 1.28 H new ATOM 0 HG22 THR A 46 -20.781 7.717 -10.028 1.00 1.28 H new ATOM 0 HG23 THR A 46 -22.479 7.322 -9.672 1.00 1.28 H new ATOM 674 N ASP A 47 -21.880 5.404 -7.781 1.00 1.11 N ATOM 675 CA ASP A 47 -22.811 4.282 -7.723 1.00 1.16 C ATOM 676 C ASP A 47 -22.675 3.554 -6.392 1.00 1.09 C ATOM 677 O ASP A 47 -23.546 2.775 -6.002 1.00 1.13 O ATOM 678 CB ASP A 47 -22.567 3.309 -8.873 1.00 1.22 C ATOM 679 CG ASP A 47 -23.592 3.449 -9.980 1.00 1.40 C ATOM 680 OD1 ASP A 47 -24.796 3.242 -9.718 1.00 1.61 O ATOM 681 OD2 ASP A 47 -23.196 3.766 -11.122 1.00 1.63 O ATOM 0 H ASP A 47 -21.018 5.218 -8.294 1.00 1.11 H new ATOM 0 HA ASP A 47 -23.823 4.677 -7.815 1.00 1.16 H new ATOM 0 HB2 ASP A 47 -21.571 3.477 -9.282 1.00 1.22 H new ATOM 0 HB3 ASP A 47 -22.587 2.288 -8.491 1.00 1.22 H new ATOM 686 N ASN A 48 -21.576 3.829 -5.698 1.00 0.99 N ATOM 687 CA ASN A 48 -21.289 3.217 -4.406 1.00 0.93 C ATOM 688 C ASN A 48 -21.119 4.286 -3.335 1.00 0.88 C ATOM 689 O ASN A 48 -20.729 3.992 -2.207 1.00 0.83 O ATOM 690 CB ASN A 48 -20.003 2.384 -4.479 1.00 0.88 C ATOM 691 CG ASN A 48 -20.187 1.055 -5.180 1.00 0.94 C ATOM 692 OD1 ASN A 48 -19.936 0.929 -6.379 1.00 0.99 O ATOM 693 ND2 ASN A 48 -20.609 0.049 -4.433 1.00 0.95 N ATOM 0 H ASN A 48 -20.860 4.482 -6.015 1.00 0.99 H new ATOM 0 HA ASN A 48 -22.129 2.572 -4.149 1.00 0.93 H new ATOM 0 HB2 ASN A 48 -19.236 2.958 -4.999 1.00 0.88 H new ATOM 0 HB3 ASN A 48 -19.637 2.206 -3.468 1.00 0.88 H new ATOM 0 HD21 ASN A 48 -20.738 -0.874 -4.847 1.00 0.95 H new ATOM 0 HD22 ASN A 48 -20.806 0.196 -3.443 1.00 0.95 H new ATOM 700 N PHE A 49 -21.411 5.526 -3.690 1.00 0.92 N ATOM 701 CA PHE A 49 -21.260 6.634 -2.765 1.00 0.91 C ATOM 702 C PHE A 49 -22.462 7.561 -2.859 1.00 1.00 C ATOM 703 O PHE A 49 -22.749 8.116 -3.922 1.00 1.09 O ATOM 704 CB PHE A 49 -19.965 7.375 -3.132 1.00 0.91 C ATOM 705 CG PHE A 49 -19.602 8.554 -2.275 1.00 0.86 C ATOM 706 CD1 PHE A 49 -18.804 8.393 -1.155 1.00 0.85 C ATOM 707 CD2 PHE A 49 -20.020 9.830 -2.618 1.00 0.91 C ATOM 708 CE1 PHE A 49 -18.434 9.481 -0.392 1.00 0.89 C ATOM 709 CE2 PHE A 49 -19.658 10.921 -1.853 1.00 0.95 C ATOM 710 CZ PHE A 49 -18.860 10.746 -0.741 1.00 0.94 C ATOM 0 H PHE A 49 -21.754 5.790 -4.614 1.00 0.92 H new ATOM 0 HA PHE A 49 -21.204 6.274 -1.738 1.00 0.91 H new ATOM 0 HB2 PHE A 49 -19.142 6.661 -3.097 1.00 0.91 H new ATOM 0 HB3 PHE A 49 -20.048 7.716 -4.164 1.00 0.91 H new ATOM 0 HD1 PHE A 49 -18.468 7.405 -0.876 1.00 0.85 H new ATOM 0 HD2 PHE A 49 -20.636 9.973 -3.494 1.00 0.91 H new ATOM 0 HE1 PHE A 49 -17.811 9.343 0.479 1.00 0.89 H new ATOM 0 HE2 PHE A 49 -19.999 11.909 -2.124 1.00 0.95 H new ATOM 0 HZ PHE A 49 -18.569 11.598 -0.145 1.00 0.94 H new ATOM 720 N GLU A 50 -23.178 7.699 -1.755 1.00 1.00 N ATOM 721 CA GLU A 50 -24.336 8.576 -1.700 1.00 1.10 C ATOM 722 C GLU A 50 -24.379 9.314 -0.367 1.00 1.09 C ATOM 723 O GLU A 50 -24.008 8.750 0.666 1.00 1.04 O ATOM 724 CB GLU A 50 -25.636 7.796 -1.942 1.00 1.19 C ATOM 725 CG GLU A 50 -26.076 6.923 -0.780 1.00 1.24 C ATOM 726 CD GLU A 50 -27.454 6.334 -0.999 1.00 1.41 C ATOM 727 OE1 GLU A 50 -27.560 5.108 -1.208 1.00 1.57 O ATOM 728 OE2 GLU A 50 -28.441 7.100 -0.969 1.00 1.69 O ATOM 0 H GLU A 50 -22.976 7.213 -0.881 1.00 1.00 H new ATOM 0 HA GLU A 50 -24.244 9.313 -2.498 1.00 1.10 H new ATOM 0 HB2 GLU A 50 -26.432 8.505 -2.169 1.00 1.19 H new ATOM 0 HB3 GLU A 50 -25.508 7.168 -2.823 1.00 1.19 H new ATOM 0 HG2 GLU A 50 -25.356 6.117 -0.640 1.00 1.24 H new ATOM 0 HG3 GLU A 50 -26.076 7.513 0.136 1.00 1.24 H new ATOM 735 N GLN A 51 -24.814 10.571 -0.396 1.00 1.16 N ATOM 736 CA GLN A 51 -24.926 11.392 0.812 1.00 1.19 C ATOM 737 C GLN A 51 -23.604 11.459 1.576 1.00 1.11 C ATOM 738 O GLN A 51 -23.584 11.494 2.810 1.00 1.14 O ATOM 739 CB GLN A 51 -26.030 10.849 1.721 1.00 1.26 C ATOM 740 CG GLN A 51 -27.432 11.069 1.177 1.00 1.39 C ATOM 741 CD GLN A 51 -28.499 10.390 2.016 1.00 1.54 C ATOM 742 OE1 GLN A 51 -29.532 9.960 1.498 1.00 1.64 O ATOM 743 NE2 GLN A 51 -28.267 10.295 3.317 1.00 1.66 N ATOM 0 H GLN A 51 -25.098 11.049 -1.251 1.00 1.16 H new ATOM 0 HA GLN A 51 -25.181 12.404 0.499 1.00 1.19 H new ATOM 0 HB2 GLN A 51 -25.872 9.781 1.872 1.00 1.26 H new ATOM 0 HB3 GLN A 51 -25.950 11.324 2.699 1.00 1.26 H new ATOM 0 HG2 GLN A 51 -27.636 12.139 1.133 1.00 1.39 H new ATOM 0 HG3 GLN A 51 -27.484 10.692 0.156 1.00 1.39 H new ATOM 0 HE21 GLN A 51 -27.400 10.663 3.709 1.00 1.66 H new ATOM 0 HE22 GLN A 51 -28.955 9.854 3.927 1.00 1.66 H new ATOM 752 N GLY A 52 -22.503 11.469 0.840 1.00 1.05 N ATOM 753 CA GLY A 52 -21.195 11.541 1.459 1.00 1.00 C ATOM 754 C GLY A 52 -20.832 10.283 2.228 1.00 0.92 C ATOM 755 O GLY A 52 -20.119 10.351 3.231 1.00 0.93 O ATOM 0 H GLY A 52 -22.492 11.428 -0.179 1.00 1.05 H new ATOM 0 HA2 GLY A 52 -20.444 11.719 0.689 1.00 1.00 H new ATOM 0 HA3 GLY A 52 -21.166 12.395 2.136 1.00 1.00 H new ATOM 759 N LYS A 53 -21.338 9.139 1.775 1.00 0.90 N ATOM 760 CA LYS A 53 -21.052 7.859 2.419 1.00 0.85 C ATOM 761 C LYS A 53 -20.742 6.799 1.369 1.00 0.80 C ATOM 762 O LYS A 53 -21.359 6.786 0.305 1.00 0.84 O ATOM 763 CB LYS A 53 -22.252 7.393 3.258 1.00 0.91 C ATOM 764 CG LYS A 53 -22.835 8.462 4.167 1.00 1.00 C ATOM 765 CD LYS A 53 -21.922 8.761 5.342 1.00 1.03 C ATOM 766 CE LYS A 53 -22.447 9.917 6.177 1.00 1.17 C ATOM 767 NZ LYS A 53 -22.502 11.190 5.405 1.00 1.25 N ATOM 0 H LYS A 53 -21.950 9.072 0.962 1.00 0.90 H new ATOM 0 HA LYS A 53 -20.189 7.996 3.071 1.00 0.85 H new ATOM 0 HB2 LYS A 53 -23.034 7.039 2.586 1.00 0.91 H new ATOM 0 HB3 LYS A 53 -21.946 6.543 3.867 1.00 0.91 H new ATOM 0 HG2 LYS A 53 -23.002 9.375 3.595 1.00 1.00 H new ATOM 0 HG3 LYS A 53 -23.807 8.135 4.536 1.00 1.00 H new ATOM 0 HD2 LYS A 53 -21.829 7.873 5.967 1.00 1.03 H new ATOM 0 HD3 LYS A 53 -20.923 8.999 4.976 1.00 1.03 H new ATOM 0 HE2 LYS A 53 -23.444 9.674 6.545 1.00 1.17 H new ATOM 0 HE3 LYS A 53 -21.809 10.051 7.050 1.00 1.17 H new ATOM 0 HZ1 LYS A 53 -22.768 11.970 6.040 1.00 1.25 H new ATOM 0 HZ2 LYS A 53 -21.569 11.385 4.990 1.00 1.25 H new ATOM 0 HZ3 LYS A 53 -23.208 11.105 4.646 1.00 1.25 H new ATOM 781 N PHE A 54 -19.798 5.913 1.663 1.00 0.75 N ATOM 782 CA PHE A 54 -19.447 4.851 0.726 1.00 0.72 C ATOM 783 C PHE A 54 -19.998 3.509 1.200 1.00 0.75 C ATOM 784 O PHE A 54 -19.967 3.191 2.391 1.00 0.76 O ATOM 785 CB PHE A 54 -17.926 4.770 0.461 1.00 0.68 C ATOM 786 CG PHE A 54 -17.009 4.798 1.665 1.00 0.66 C ATOM 787 CD1 PHE A 54 -15.668 5.104 1.492 1.00 0.65 C ATOM 788 CD2 PHE A 54 -17.461 4.517 2.944 1.00 0.72 C ATOM 789 CE1 PHE A 54 -14.801 5.133 2.565 1.00 0.69 C ATOM 790 CE2 PHE A 54 -16.599 4.544 4.022 1.00 0.74 C ATOM 791 CZ PHE A 54 -15.267 4.853 3.832 1.00 0.71 C ATOM 0 H PHE A 54 -19.266 5.907 2.533 1.00 0.75 H new ATOM 0 HA PHE A 54 -19.913 5.100 -0.227 1.00 0.72 H new ATOM 0 HB2 PHE A 54 -17.728 3.852 -0.092 1.00 0.68 H new ATOM 0 HB3 PHE A 54 -17.652 5.600 -0.191 1.00 0.68 H new ATOM 0 HD1 PHE A 54 -15.296 5.323 0.502 1.00 0.65 H new ATOM 0 HD2 PHE A 54 -18.502 4.274 3.100 1.00 0.72 H new ATOM 0 HE1 PHE A 54 -13.759 5.375 2.413 1.00 0.69 H new ATOM 0 HE2 PHE A 54 -16.966 4.324 5.013 1.00 0.74 H new ATOM 0 HZ PHE A 54 -14.591 4.875 4.674 1.00 0.71 H new ATOM 801 N PHE A 55 -20.532 2.736 0.267 1.00 0.78 N ATOM 802 CA PHE A 55 -21.106 1.443 0.596 1.00 0.83 C ATOM 803 C PHE A 55 -21.073 0.493 -0.598 1.00 0.86 C ATOM 804 O PHE A 55 -20.863 0.907 -1.738 1.00 0.87 O ATOM 805 CB PHE A 55 -22.559 1.621 1.064 1.00 0.90 C ATOM 806 CG PHE A 55 -23.501 2.047 -0.033 1.00 0.97 C ATOM 807 CD1 PHE A 55 -24.354 1.129 -0.630 1.00 1.05 C ATOM 808 CD2 PHE A 55 -23.525 3.361 -0.478 1.00 1.01 C ATOM 809 CE1 PHE A 55 -25.206 1.513 -1.647 1.00 1.14 C ATOM 810 CE2 PHE A 55 -24.377 3.749 -1.493 1.00 1.11 C ATOM 811 CZ PHE A 55 -25.218 2.825 -2.079 1.00 1.16 C ATOM 0 H PHE A 55 -20.579 2.982 -0.722 1.00 0.78 H new ATOM 0 HA PHE A 55 -20.506 1.008 1.395 1.00 0.83 H new ATOM 0 HB2 PHE A 55 -22.912 0.682 1.489 1.00 0.90 H new ATOM 0 HB3 PHE A 55 -22.586 2.363 1.862 1.00 0.90 H new ATOM 0 HD1 PHE A 55 -24.351 0.102 -0.295 1.00 1.05 H new ATOM 0 HD2 PHE A 55 -22.869 4.089 -0.025 1.00 1.01 H new ATOM 0 HE1 PHE A 55 -25.863 0.788 -2.104 1.00 1.14 H new ATOM 0 HE2 PHE A 55 -24.385 4.776 -1.828 1.00 1.11 H new ATOM 0 HZ PHE A 55 -25.884 3.127 -2.874 1.00 1.16 H new ATOM 821 N LEU A 56 -21.276 -0.783 -0.322 1.00 0.88 N ATOM 822 CA LEU A 56 -21.327 -1.790 -1.360 1.00 0.93 C ATOM 823 C LEU A 56 -22.779 -2.190 -1.567 1.00 1.01 C ATOM 824 O LEU A 56 -23.568 -2.207 -0.611 1.00 1.04 O ATOM 825 CB LEU A 56 -20.457 -3.009 -1.014 1.00 0.94 C ATOM 826 CG LEU A 56 -20.695 -3.645 0.359 1.00 0.96 C ATOM 827 CD1 LEU A 56 -21.745 -4.742 0.275 1.00 1.04 C ATOM 828 CD2 LEU A 56 -19.394 -4.204 0.911 1.00 0.97 C ATOM 0 H LEU A 56 -21.409 -1.146 0.622 1.00 0.88 H new ATOM 0 HA LEU A 56 -20.922 -1.377 -2.284 1.00 0.93 H new ATOM 0 HB2 LEU A 56 -20.617 -3.771 -1.777 1.00 0.94 H new ATOM 0 HB3 LEU A 56 -19.410 -2.711 -1.076 1.00 0.94 H new ATOM 0 HG LEU A 56 -21.063 -2.872 1.034 1.00 0.96 H new ATOM 0 HD11 LEU A 56 -21.896 -5.178 1.263 1.00 1.04 H new ATOM 0 HD12 LEU A 56 -22.684 -4.320 -0.083 1.00 1.04 H new ATOM 0 HD13 LEU A 56 -21.409 -5.516 -0.415 1.00 1.04 H new ATOM 0 HD21 LEU A 56 -19.576 -4.653 1.887 1.00 0.97 H new ATOM 0 HD22 LEU A 56 -19.005 -4.961 0.230 1.00 0.97 H new ATOM 0 HD23 LEU A 56 -18.666 -3.399 1.012 1.00 0.97 H new ATOM 840 N ILE A 57 -23.133 -2.499 -2.802 1.00 1.06 N ATOM 841 CA ILE A 57 -24.499 -2.863 -3.128 1.00 1.14 C ATOM 842 C ILE A 57 -24.547 -4.192 -3.877 1.00 1.20 C ATOM 843 O ILE A 57 -23.586 -4.574 -4.549 1.00 1.20 O ATOM 844 CB ILE A 57 -25.179 -1.752 -3.970 1.00 1.18 C ATOM 845 CG1 ILE A 57 -26.687 -1.982 -4.062 1.00 1.26 C ATOM 846 CG2 ILE A 57 -24.569 -1.665 -5.363 1.00 1.21 C ATOM 847 CD1 ILE A 57 -27.426 -1.676 -2.779 1.00 1.30 C ATOM 0 H ILE A 57 -22.492 -2.505 -3.596 1.00 1.06 H new ATOM 0 HA ILE A 57 -25.045 -2.975 -2.191 1.00 1.14 H new ATOM 0 HB ILE A 57 -25.006 -0.802 -3.464 1.00 1.18 H new ATOM 0 HG12 ILE A 57 -27.092 -1.362 -4.862 1.00 1.26 H new ATOM 0 HG13 ILE A 57 -26.871 -3.020 -4.339 1.00 1.26 H new ATOM 0 HG21 ILE A 57 -25.066 -0.878 -5.929 1.00 1.21 H new ATOM 0 HG22 ILE A 57 -23.506 -1.437 -5.281 1.00 1.21 H new ATOM 0 HG23 ILE A 57 -24.698 -2.618 -5.877 1.00 1.21 H new ATOM 0 HD11 ILE A 57 -28.491 -1.862 -2.919 1.00 1.30 H new ATOM 0 HD12 ILE A 57 -27.048 -2.314 -1.980 1.00 1.30 H new ATOM 0 HD13 ILE A 57 -27.273 -0.631 -2.511 1.00 1.30 H new ATOM 859 N SER A 58 -25.661 -4.897 -3.740 1.00 1.27 N ATOM 860 CA SER A 58 -25.850 -6.178 -4.400 1.00 1.36 C ATOM 861 C SER A 58 -26.560 -5.989 -5.739 1.00 1.42 C ATOM 862 O SER A 58 -26.890 -4.866 -6.120 1.00 1.42 O ATOM 863 CB SER A 58 -26.658 -7.107 -3.497 1.00 1.40 C ATOM 864 OG SER A 58 -27.330 -6.365 -2.494 1.00 1.41 O ATOM 0 H SER A 58 -26.454 -4.598 -3.172 1.00 1.27 H new ATOM 0 HA SER A 58 -24.875 -6.626 -4.591 1.00 1.36 H new ATOM 0 HB2 SER A 58 -27.382 -7.663 -4.093 1.00 1.40 H new ATOM 0 HB3 SER A 58 -25.997 -7.839 -3.034 1.00 1.40 H new ATOM 0 HG SER A 58 -27.965 -6.947 -2.027 1.00 1.41 H new ATOM 870 N ASP A 59 -26.816 -7.092 -6.433 1.00 1.53 N ATOM 871 CA ASP A 59 -27.474 -7.044 -7.736 1.00 1.62 C ATOM 872 C ASP A 59 -28.922 -6.574 -7.625 1.00 1.67 C ATOM 873 O ASP A 59 -29.431 -5.915 -8.531 1.00 1.74 O ATOM 874 CB ASP A 59 -27.442 -8.418 -8.415 1.00 1.76 C ATOM 875 CG ASP A 59 -26.054 -8.827 -8.864 1.00 1.79 C ATOM 876 OD1 ASP A 59 -25.539 -9.839 -8.350 1.00 1.98 O ATOM 877 OD2 ASP A 59 -25.475 -8.148 -9.739 1.00 2.20 O ATOM 0 H ASP A 59 -26.578 -8.032 -6.116 1.00 1.53 H new ATOM 0 HA ASP A 59 -26.921 -6.325 -8.340 1.00 1.62 H new ATOM 0 HB2 ASP A 59 -27.829 -9.167 -7.724 1.00 1.76 H new ATOM 0 HB3 ASP A 59 -28.108 -8.406 -9.278 1.00 1.76 H new ATOM 882 N ASN A 60 -29.581 -6.903 -6.518 1.00 1.65 N ATOM 883 CA ASN A 60 -30.981 -6.517 -6.324 1.00 1.72 C ATOM 884 C ASN A 60 -31.101 -5.119 -5.721 1.00 1.66 C ATOM 885 O ASN A 60 -32.207 -4.603 -5.545 1.00 1.72 O ATOM 886 CB ASN A 60 -31.697 -7.531 -5.434 1.00 1.80 C ATOM 887 CG ASN A 60 -33.080 -7.883 -5.948 1.00 2.20 C ATOM 888 OD1 ASN A 60 -33.750 -7.071 -6.587 1.00 2.81 O ATOM 889 ND2 ASN A 60 -33.517 -9.099 -5.670 1.00 2.68 N ATOM 0 H ASN A 60 -29.175 -7.431 -5.746 1.00 1.65 H new ATOM 0 HA ASN A 60 -31.455 -6.503 -7.305 1.00 1.72 H new ATOM 0 HB2 ASN A 60 -31.096 -8.438 -5.367 1.00 1.80 H new ATOM 0 HB3 ASN A 60 -31.780 -7.128 -4.425 1.00 1.80 H new ATOM 0 HD21 ASN A 60 -34.440 -9.394 -5.988 1.00 2.68 H new ATOM 0 HD22 ASN A 60 -32.931 -9.742 -5.138 1.00 2.68 H new ATOM 896 N ASN A 61 -29.955 -4.524 -5.393 1.00 1.55 N ATOM 897 CA ASN A 61 -29.888 -3.170 -4.825 1.00 1.51 C ATOM 898 C ASN A 61 -30.692 -3.029 -3.528 1.00 1.54 C ATOM 899 O ASN A 61 -31.147 -1.936 -3.188 1.00 1.63 O ATOM 900 CB ASN A 61 -30.368 -2.130 -5.848 1.00 1.57 C ATOM 901 CG ASN A 61 -29.336 -1.846 -6.922 1.00 1.62 C ATOM 902 OD1 ASN A 61 -28.448 -1.012 -6.743 1.00 1.97 O ATOM 903 ND2 ASN A 61 -29.450 -2.528 -8.050 1.00 1.98 N ATOM 0 H ASN A 61 -29.043 -4.965 -5.512 1.00 1.55 H new ATOM 0 HA ASN A 61 -28.841 -2.990 -4.580 1.00 1.51 H new ATOM 0 HB2 ASN A 61 -31.286 -2.484 -6.317 1.00 1.57 H new ATOM 0 HB3 ASN A 61 -30.612 -1.203 -5.330 1.00 1.57 H new ATOM 0 HD21 ASN A 61 -28.788 -2.371 -8.810 1.00 1.98 H new ATOM 0 HD22 ASN A 61 -30.200 -3.211 -8.160 1.00 1.98 H new ATOM 910 N ARG A 62 -30.852 -4.123 -2.795 1.00 1.53 N ATOM 911 CA ARG A 62 -31.600 -4.092 -1.541 1.00 1.57 C ATOM 912 C ARG A 62 -30.651 -4.100 -0.346 1.00 1.47 C ATOM 913 O ARG A 62 -30.843 -3.359 0.620 1.00 1.49 O ATOM 914 CB ARG A 62 -32.558 -5.282 -1.446 1.00 1.70 C ATOM 915 CG ARG A 62 -33.604 -5.323 -2.547 1.00 1.96 C ATOM 916 CD ARG A 62 -34.420 -6.602 -2.481 1.00 2.38 C ATOM 917 NE ARG A 62 -35.495 -6.621 -3.468 1.00 2.78 N ATOM 918 CZ ARG A 62 -36.512 -7.480 -3.443 1.00 3.47 C ATOM 919 NH1 ARG A 62 -36.586 -8.401 -2.491 1.00 3.88 N ATOM 920 NH2 ARG A 62 -37.453 -7.424 -4.375 1.00 4.15 N ATOM 0 H ARG A 62 -30.477 -5.039 -3.043 1.00 1.53 H new ATOM 0 HA ARG A 62 -32.182 -3.171 -1.526 1.00 1.57 H new ATOM 0 HB2 ARG A 62 -31.979 -6.205 -1.475 1.00 1.70 H new ATOM 0 HB3 ARG A 62 -33.063 -5.253 -0.480 1.00 1.70 H new ATOM 0 HG2 ARG A 62 -34.265 -4.461 -2.456 1.00 1.96 H new ATOM 0 HG3 ARG A 62 -33.116 -5.249 -3.519 1.00 1.96 H new ATOM 0 HD2 ARG A 62 -33.765 -7.458 -2.643 1.00 2.38 H new ATOM 0 HD3 ARG A 62 -34.844 -6.710 -1.483 1.00 2.38 H new ATOM 0 HE ARG A 62 -35.465 -5.935 -4.222 1.00 2.78 H new ATOM 0 HH11 ARG A 62 -35.862 -8.453 -1.774 1.00 3.88 H new ATOM 0 HH12 ARG A 62 -37.367 -9.057 -2.476 1.00 3.88 H new ATOM 0 HH21 ARG A 62 -37.399 -6.722 -5.113 1.00 4.15 H new ATOM 0 HH22 ARG A 62 -38.231 -8.083 -4.354 1.00 4.15 H new ATOM 934 N ASP A 63 -29.632 -4.943 -0.414 1.00 1.46 N ATOM 935 CA ASP A 63 -28.656 -5.052 0.666 1.00 1.40 C ATOM 936 C ASP A 63 -27.550 -4.014 0.498 1.00 1.30 C ATOM 937 O ASP A 63 -26.776 -4.066 -0.462 1.00 1.29 O ATOM 938 CB ASP A 63 -28.055 -6.459 0.698 1.00 1.47 C ATOM 939 CG ASP A 63 -27.567 -6.853 2.078 1.00 1.46 C ATOM 940 OD1 ASP A 63 -27.795 -8.013 2.485 1.00 1.79 O ATOM 941 OD2 ASP A 63 -26.955 -6.014 2.765 1.00 1.57 O ATOM 0 H ASP A 63 -29.457 -5.563 -1.205 1.00 1.46 H new ATOM 0 HA ASP A 63 -29.167 -4.865 1.610 1.00 1.40 H new ATOM 0 HB2 ASP A 63 -28.803 -7.177 0.362 1.00 1.47 H new ATOM 0 HB3 ASP A 63 -27.224 -6.511 -0.006 1.00 1.47 H new ATOM 946 N LYS A 64 -27.490 -3.070 1.428 1.00 1.27 N ATOM 947 CA LYS A 64 -26.490 -2.012 1.396 1.00 1.19 C ATOM 948 C LYS A 64 -25.580 -2.123 2.613 1.00 1.15 C ATOM 949 O LYS A 64 -26.053 -2.087 3.748 1.00 1.21 O ATOM 950 CB LYS A 64 -27.169 -0.638 1.390 1.00 1.20 C ATOM 951 CG LYS A 64 -28.344 -0.533 0.431 1.00 1.30 C ATOM 952 CD LYS A 64 -29.090 0.785 0.588 1.00 1.37 C ATOM 953 CE LYS A 64 -28.232 1.976 0.185 1.00 1.61 C ATOM 954 NZ LYS A 64 -29.059 3.116 -0.296 1.00 1.84 N ATOM 0 H LYS A 64 -28.129 -3.016 2.221 1.00 1.27 H new ATOM 0 HA LYS A 64 -25.898 -2.120 0.487 1.00 1.19 H new ATOM 0 HB2 LYS A 64 -27.515 -0.411 2.398 1.00 1.20 H new ATOM 0 HB3 LYS A 64 -26.431 0.120 1.128 1.00 1.20 H new ATOM 0 HG2 LYS A 64 -27.985 -0.627 -0.594 1.00 1.30 H new ATOM 0 HG3 LYS A 64 -29.030 -1.362 0.606 1.00 1.30 H new ATOM 0 HD2 LYS A 64 -29.993 0.766 -0.022 1.00 1.37 H new ATOM 0 HD3 LYS A 64 -29.408 0.901 1.624 1.00 1.37 H new ATOM 0 HE2 LYS A 64 -27.632 2.296 1.037 1.00 1.61 H new ATOM 0 HE3 LYS A 64 -27.537 1.675 -0.599 1.00 1.61 H new ATOM 0 HZ1 LYS A 64 -28.437 3.882 -0.624 1.00 1.84 H new ATOM 0 HZ2 LYS A 64 -29.663 2.800 -1.081 1.00 1.84 H new ATOM 0 HZ3 LYS A 64 -29.656 3.464 0.481 1.00 1.84 H new ATOM 968 N LEU A 65 -24.282 -2.253 2.387 1.00 1.07 N ATOM 969 CA LEU A 65 -23.335 -2.371 3.490 1.00 1.05 C ATOM 970 C LEU A 65 -22.215 -1.348 3.350 1.00 0.96 C ATOM 971 O LEU A 65 -21.671 -1.162 2.269 1.00 0.91 O ATOM 972 CB LEU A 65 -22.766 -3.793 3.549 1.00 1.08 C ATOM 973 CG LEU A 65 -21.583 -4.000 4.499 1.00 1.16 C ATOM 974 CD1 LEU A 65 -21.970 -3.658 5.930 1.00 1.30 C ATOM 975 CD2 LEU A 65 -21.080 -5.433 4.405 1.00 1.25 C ATOM 0 H LEU A 65 -23.861 -2.280 1.459 1.00 1.07 H new ATOM 0 HA LEU A 65 -23.862 -2.169 4.423 1.00 1.05 H new ATOM 0 HB2 LEU A 65 -23.566 -4.472 3.843 1.00 1.08 H new ATOM 0 HB3 LEU A 65 -22.456 -4.082 2.545 1.00 1.08 H new ATOM 0 HG LEU A 65 -20.779 -3.328 4.200 1.00 1.16 H new ATOM 0 HD11 LEU A 65 -21.113 -3.813 6.586 1.00 1.30 H new ATOM 0 HD12 LEU A 65 -22.283 -2.615 5.983 1.00 1.30 H new ATOM 0 HD13 LEU A 65 -22.791 -4.300 6.248 1.00 1.30 H new ATOM 0 HD21 LEU A 65 -20.239 -5.569 5.085 1.00 1.25 H new ATOM 0 HD22 LEU A 65 -21.882 -6.119 4.679 1.00 1.25 H new ATOM 0 HD23 LEU A 65 -20.758 -5.640 3.384 1.00 1.25 H new ATOM 987 N TYR A 66 -21.870 -0.698 4.451 1.00 0.96 N ATOM 988 CA TYR A 66 -20.821 0.311 4.444 1.00 0.89 C ATOM 989 C TYR A 66 -19.476 -0.316 4.792 1.00 0.86 C ATOM 990 O TYR A 66 -19.368 -1.086 5.750 1.00 0.93 O ATOM 991 CB TYR A 66 -21.142 1.430 5.441 1.00 0.93 C ATOM 992 CG TYR A 66 -22.469 2.111 5.196 1.00 0.98 C ATOM 993 CD1 TYR A 66 -23.624 1.672 5.829 1.00 1.17 C ATOM 994 CD2 TYR A 66 -22.566 3.195 4.333 1.00 1.00 C ATOM 995 CE1 TYR A 66 -24.838 2.293 5.609 1.00 1.25 C ATOM 996 CE2 TYR A 66 -23.777 3.822 4.107 1.00 1.27 C ATOM 997 CZ TYR A 66 -24.910 3.366 4.747 1.00 1.14 C ATOM 998 OH TYR A 66 -26.122 3.986 4.529 1.00 1.71 O ATOM 0 H TYR A 66 -22.302 -0.851 5.362 1.00 0.96 H new ATOM 0 HA TYR A 66 -20.767 0.736 3.442 1.00 0.89 H new ATOM 0 HB2 TYR A 66 -21.139 1.016 6.449 1.00 0.93 H new ATOM 0 HB3 TYR A 66 -20.349 2.177 5.400 1.00 0.93 H new ATOM 0 HD1 TYR A 66 -23.572 0.831 6.505 1.00 1.17 H new ATOM 0 HD2 TYR A 66 -21.680 3.554 3.830 1.00 1.00 H new ATOM 0 HE1 TYR A 66 -25.727 1.939 6.110 1.00 1.25 H new ATOM 0 HE2 TYR A 66 -23.835 4.664 3.433 1.00 1.27 H new ATOM 0 HH TYR A 66 -26.002 4.725 3.896 1.00 1.71 H new ATOM 1008 N VAL A 67 -18.461 0.010 4.007 1.00 0.80 N ATOM 1009 CA VAL A 67 -17.118 -0.514 4.224 1.00 0.78 C ATOM 1010 C VAL A 67 -16.094 0.614 4.212 1.00 0.74 C ATOM 1011 O VAL A 67 -16.152 1.510 3.370 1.00 0.76 O ATOM 1012 CB VAL A 67 -16.729 -1.570 3.165 1.00 0.79 C ATOM 1013 CG1 VAL A 67 -17.341 -2.920 3.504 1.00 0.87 C ATOM 1014 CG2 VAL A 67 -17.149 -1.125 1.770 1.00 0.77 C ATOM 0 H VAL A 67 -18.541 0.639 3.208 1.00 0.80 H new ATOM 0 HA VAL A 67 -17.121 -0.997 5.201 1.00 0.78 H new ATOM 0 HB VAL A 67 -15.644 -1.672 3.174 1.00 0.79 H new ATOM 0 HG11 VAL A 67 -17.055 -3.650 2.746 1.00 0.87 H new ATOM 0 HG12 VAL A 67 -16.980 -3.249 4.479 1.00 0.87 H new ATOM 0 HG13 VAL A 67 -18.427 -2.831 3.530 1.00 0.87 H new ATOM 0 HG21 VAL A 67 -16.863 -1.886 1.044 1.00 0.77 H new ATOM 0 HG22 VAL A 67 -18.230 -0.985 1.743 1.00 0.77 H new ATOM 0 HG23 VAL A 67 -16.655 -0.185 1.524 1.00 0.77 H new ATOM 1024 N ASN A 68 -15.162 0.563 5.146 1.00 0.75 N ATOM 1025 CA ASN A 68 -14.129 1.579 5.258 1.00 0.74 C ATOM 1026 C ASN A 68 -12.808 1.061 4.710 1.00 0.72 C ATOM 1027 O ASN A 68 -12.376 -0.043 5.045 1.00 0.78 O ATOM 1028 CB ASN A 68 -13.935 2.000 6.721 1.00 0.83 C ATOM 1029 CG ASN A 68 -15.094 2.811 7.270 1.00 1.13 C ATOM 1030 OD1 ASN A 68 -16.037 2.261 7.838 1.00 1.86 O ATOM 1031 ND2 ASN A 68 -15.027 4.127 7.119 1.00 1.50 N ATOM 0 H ASN A 68 -15.099 -0.178 5.844 1.00 0.75 H new ATOM 0 HA ASN A 68 -14.450 2.443 4.676 1.00 0.74 H new ATOM 0 HB2 ASN A 68 -13.802 1.109 7.334 1.00 0.83 H new ATOM 0 HB3 ASN A 68 -13.019 2.585 6.805 1.00 0.83 H new ATOM 0 HD21 ASN A 68 -15.774 4.720 7.480 1.00 1.50 H new ATOM 0 HD22 ASN A 68 -14.228 4.546 6.642 1.00 1.50 H new ATOM 1038 N ILE A 69 -12.176 1.849 3.858 1.00 0.68 N ATOM 1039 CA ILE A 69 -10.891 1.473 3.295 1.00 0.69 C ATOM 1040 C ILE A 69 -9.792 2.012 4.196 1.00 0.73 C ATOM 1041 O ILE A 69 -9.595 3.221 4.286 1.00 0.76 O ATOM 1042 CB ILE A 69 -10.701 2.031 1.868 1.00 0.69 C ATOM 1043 CG1 ILE A 69 -12.042 2.107 1.135 1.00 0.87 C ATOM 1044 CG2 ILE A 69 -9.722 1.164 1.091 1.00 0.82 C ATOM 1045 CD1 ILE A 69 -12.082 3.170 0.058 1.00 1.13 C ATOM 0 H ILE A 69 -12.531 2.751 3.541 1.00 0.68 H new ATOM 0 HA ILE A 69 -10.848 0.386 3.232 1.00 0.69 H new ATOM 0 HB ILE A 69 -10.294 3.039 1.943 1.00 0.69 H new ATOM 0 HG12 ILE A 69 -12.257 1.137 0.686 1.00 0.87 H new ATOM 0 HG13 ILE A 69 -12.832 2.305 1.859 1.00 0.87 H new ATOM 0 HG21 ILE A 69 -9.596 1.568 0.086 1.00 0.82 H new ATOM 0 HG22 ILE A 69 -8.759 1.155 1.602 1.00 0.82 H new ATOM 0 HG23 ILE A 69 -10.108 0.147 1.027 1.00 0.82 H new ATOM 0 HD11 ILE A 69 -13.062 3.167 -0.420 1.00 1.13 H new ATOM 0 HD12 ILE A 69 -11.899 4.147 0.504 1.00 1.13 H new ATOM 0 HD13 ILE A 69 -11.314 2.962 -0.687 1.00 1.13 H new ATOM 1057 N ARG A 70 -9.082 1.121 4.864 1.00 0.79 N ATOM 1058 CA ARG A 70 -8.031 1.530 5.785 1.00 0.88 C ATOM 1059 C ARG A 70 -6.705 0.885 5.413 1.00 0.85 C ATOM 1060 O ARG A 70 -6.682 -0.120 4.703 1.00 0.86 O ATOM 1061 CB ARG A 70 -8.413 1.148 7.222 1.00 1.01 C ATOM 1062 CG ARG A 70 -9.820 1.568 7.613 1.00 1.09 C ATOM 1063 CD ARG A 70 -10.299 0.839 8.857 1.00 1.23 C ATOM 1064 NE ARG A 70 -9.488 1.154 10.032 1.00 1.48 N ATOM 1065 CZ ARG A 70 -9.842 0.849 11.280 1.00 1.76 C ATOM 1066 NH1 ARG A 70 -10.995 0.236 11.517 1.00 2.00 N ATOM 1067 NH2 ARG A 70 -9.042 1.153 12.292 1.00 2.19 N ATOM 0 H ARG A 70 -9.211 0.112 4.788 1.00 0.79 H new ATOM 0 HA ARG A 70 -7.919 2.612 5.718 1.00 0.88 H new ATOM 0 HB2 ARG A 70 -8.320 0.068 7.338 1.00 1.01 H new ATOM 0 HB3 ARG A 70 -7.702 1.605 7.911 1.00 1.01 H new ATOM 0 HG2 ARG A 70 -9.843 2.643 7.790 1.00 1.09 H new ATOM 0 HG3 ARG A 70 -10.503 1.366 6.788 1.00 1.09 H new ATOM 0 HD2 ARG A 70 -11.338 1.104 9.054 1.00 1.23 H new ATOM 0 HD3 ARG A 70 -10.273 -0.236 8.678 1.00 1.23 H new ATOM 0 HE ARG A 70 -8.600 1.635 9.888 1.00 1.48 H new ATOM 0 HH11 ARG A 70 -11.614 -0.003 10.742 1.00 2.00 H new ATOM 0 HH12 ARG A 70 -11.262 0.004 12.474 1.00 2.00 H new ATOM 0 HH21 ARG A 70 -8.153 1.621 12.116 1.00 2.19 H new ATOM 0 HH22 ARG A 70 -9.315 0.919 13.246 1.00 2.19 H new ATOM 1081 N PRO A 71 -5.580 1.459 5.872 1.00 0.89 N ATOM 1082 CA PRO A 71 -4.257 0.912 5.593 1.00 0.90 C ATOM 1083 C PRO A 71 -4.028 -0.379 6.361 1.00 0.93 C ATOM 1084 O PRO A 71 -4.526 -0.541 7.479 1.00 1.04 O ATOM 1085 CB PRO A 71 -3.285 1.996 6.083 1.00 0.93 C ATOM 1086 CG PRO A 71 -4.125 3.191 6.390 1.00 1.08 C ATOM 1087 CD PRO A 71 -5.502 2.676 6.692 1.00 0.98 C ATOM 0 HA PRO A 71 -4.129 0.672 4.538 1.00 0.90 H new ATOM 0 HB2 PRO A 71 -2.742 1.663 6.967 1.00 0.93 H new ATOM 0 HB3 PRO A 71 -2.541 2.227 5.321 1.00 0.93 H new ATOM 0 HG2 PRO A 71 -3.721 3.741 7.240 1.00 1.08 H new ATOM 0 HG3 PRO A 71 -4.145 3.879 5.545 1.00 1.08 H new ATOM 0 HD2 PRO A 71 -5.629 2.458 7.752 1.00 0.98 H new ATOM 0 HD3 PRO A 71 -6.273 3.397 6.420 1.00 0.98 H new ATOM 1095 N MET A 72 -3.274 -1.289 5.764 1.00 0.98 N ATOM 1096 CA MET A 72 -2.966 -2.571 6.387 1.00 1.06 C ATOM 1097 C MET A 72 -1.890 -2.392 7.458 1.00 1.07 C ATOM 1098 O MET A 72 -0.802 -2.964 7.368 1.00 1.17 O ATOM 1099 CB MET A 72 -2.494 -3.563 5.323 1.00 1.23 C ATOM 1100 CG MET A 72 -2.970 -4.989 5.552 1.00 1.38 C ATOM 1101 SD MET A 72 -2.461 -6.104 4.226 1.00 1.60 S ATOM 1102 CE MET A 72 -3.229 -7.635 4.751 1.00 1.68 C ATOM 0 H MET A 72 -2.860 -1.163 4.840 1.00 0.98 H new ATOM 0 HA MET A 72 -3.866 -2.962 6.861 1.00 1.06 H new ATOM 0 HB2 MET A 72 -2.843 -3.227 4.347 1.00 1.23 H new ATOM 0 HB3 MET A 72 -1.404 -3.555 5.292 1.00 1.23 H new ATOM 0 HG2 MET A 72 -2.576 -5.353 6.501 1.00 1.38 H new ATOM 0 HG3 MET A 72 -4.057 -4.998 5.634 1.00 1.38 H new ATOM 0 HE1 MET A 72 -2.501 -8.444 4.697 1.00 1.68 H new ATOM 0 HE2 MET A 72 -3.582 -7.532 5.777 1.00 1.68 H new ATOM 0 HE3 MET A 72 -4.072 -7.862 4.098 1.00 1.68 H new ATOM 1112 N ASP A 73 -2.217 -1.577 8.461 1.00 1.10 N ATOM 1113 CA ASP A 73 -1.317 -1.267 9.575 1.00 1.22 C ATOM 1114 C ASP A 73 -0.006 -0.666 9.072 1.00 1.18 C ATOM 1115 O ASP A 73 1.068 -0.907 9.626 1.00 1.34 O ATOM 1116 CB ASP A 73 -1.046 -2.512 10.426 1.00 1.43 C ATOM 1117 CG ASP A 73 -0.630 -2.157 11.839 1.00 1.67 C ATOM 1118 OD1 ASP A 73 -1.009 -1.066 12.318 1.00 2.08 O ATOM 1119 OD2 ASP A 73 0.064 -2.968 12.487 1.00 2.12 O ATOM 0 H ASP A 73 -3.121 -1.109 8.525 1.00 1.10 H new ATOM 0 HA ASP A 73 -1.812 -0.526 10.203 1.00 1.22 H new ATOM 0 HB2 ASP A 73 -1.942 -3.131 10.457 1.00 1.43 H new ATOM 0 HB3 ASP A 73 -0.263 -3.108 9.957 1.00 1.43 H new ATOM 1124 N ASN A 74 -0.106 0.131 8.017 1.00 1.16 N ATOM 1125 CA ASN A 74 1.065 0.762 7.422 1.00 1.22 C ATOM 1126 C ASN A 74 1.191 2.218 7.846 1.00 1.21 C ATOM 1127 O ASN A 74 2.296 2.724 8.032 1.00 1.49 O ATOM 1128 CB ASN A 74 0.996 0.676 5.896 1.00 1.27 C ATOM 1129 CG ASN A 74 1.063 -0.750 5.381 1.00 1.66 C ATOM 1130 OD1 ASN A 74 0.407 -1.095 4.396 1.00 2.44 O ATOM 1131 ND2 ASN A 74 1.861 -1.585 6.029 1.00 1.80 N ATOM 0 H ASN A 74 -0.987 0.356 7.555 1.00 1.16 H new ATOM 0 HA ASN A 74 1.944 0.225 7.778 1.00 1.22 H new ATOM 0 HB2 ASN A 74 0.070 1.138 5.553 1.00 1.27 H new ATOM 0 HB3 ASN A 74 1.817 1.251 5.467 1.00 1.27 H new ATOM 0 HD21 ASN A 74 1.949 -2.552 5.717 1.00 1.80 H new ATOM 0 HD22 ASN A 74 2.388 -1.261 6.840 1.00 1.80 H new ATOM 1138 N SER A 75 0.065 2.896 7.999 1.00 1.07 N ATOM 1139 CA SER A 75 0.071 4.298 8.387 1.00 1.09 C ATOM 1140 C SER A 75 -1.223 4.672 9.091 1.00 1.06 C ATOM 1141 O SER A 75 -2.105 3.830 9.269 1.00 1.00 O ATOM 1142 CB SER A 75 0.264 5.182 7.156 1.00 1.11 C ATOM 1143 OG SER A 75 1.436 4.818 6.450 1.00 1.25 O ATOM 0 H SER A 75 -0.864 2.499 7.861 1.00 1.07 H new ATOM 0 HA SER A 75 0.899 4.456 9.079 1.00 1.09 H new ATOM 0 HB2 SER A 75 -0.602 5.093 6.500 1.00 1.11 H new ATOM 0 HB3 SER A 75 0.328 6.227 7.460 1.00 1.11 H new ATOM 0 HG SER A 75 2.197 5.332 6.792 1.00 1.25 H new ATOM 1149 N ALA A 76 -1.335 5.939 9.471 1.00 1.17 N ATOM 1150 CA ALA A 76 -2.521 6.434 10.157 1.00 1.19 C ATOM 1151 C ALA A 76 -3.358 7.299 9.224 1.00 1.07 C ATOM 1152 O ALA A 76 -2.896 8.331 8.738 1.00 1.12 O ATOM 1153 CB ALA A 76 -2.124 7.220 11.399 1.00 1.42 C ATOM 0 H ALA A 76 -0.615 6.645 9.315 1.00 1.17 H new ATOM 0 HA ALA A 76 -3.124 5.580 10.464 1.00 1.19 H new ATOM 0 HB1 ALA A 76 -3.020 7.584 11.901 1.00 1.42 H new ATOM 0 HB2 ALA A 76 -1.566 6.573 12.076 1.00 1.42 H new ATOM 0 HB3 ALA A 76 -1.501 8.067 11.110 1.00 1.42 H new ATOM 1159 N TRP A 77 -4.576 6.861 8.951 1.00 0.98 N ATOM 1160 CA TRP A 77 -5.473 7.600 8.073 1.00 0.91 C ATOM 1161 C TRP A 77 -6.736 8.013 8.823 1.00 0.92 C ATOM 1162 O TRP A 77 -7.221 7.275 9.685 1.00 0.97 O ATOM 1163 CB TRP A 77 -5.850 6.751 6.854 1.00 0.87 C ATOM 1164 CG TRP A 77 -4.786 6.681 5.797 1.00 0.88 C ATOM 1165 CD1 TRP A 77 -3.452 6.459 5.983 1.00 0.96 C ATOM 1166 CD2 TRP A 77 -4.973 6.825 4.384 1.00 0.85 C ATOM 1167 NE1 TRP A 77 -2.799 6.454 4.775 1.00 0.98 N ATOM 1168 CE2 TRP A 77 -3.712 6.679 3.778 1.00 0.92 C ATOM 1169 CE3 TRP A 77 -6.085 7.063 3.574 1.00 0.82 C ATOM 1170 CZ2 TRP A 77 -3.534 6.764 2.400 1.00 0.95 C ATOM 1171 CZ3 TRP A 77 -5.908 7.147 2.207 1.00 0.86 C ATOM 1172 CH2 TRP A 77 -4.642 6.998 1.631 1.00 0.92 C ATOM 0 H TRP A 77 -4.968 5.997 9.324 1.00 0.98 H new ATOM 0 HA TRP A 77 -4.954 8.496 7.734 1.00 0.91 H new ATOM 0 HB2 TRP A 77 -6.081 5.739 7.188 1.00 0.87 H new ATOM 0 HB3 TRP A 77 -6.760 7.156 6.411 1.00 0.87 H new ATOM 0 HD1 TRP A 77 -2.978 6.309 6.942 1.00 0.96 H new ATOM 0 HE1 TRP A 77 -1.799 6.307 4.642 1.00 0.98 H new ATOM 0 HE3 TRP A 77 -7.067 7.179 4.009 1.00 0.82 H new ATOM 0 HZ2 TRP A 77 -2.557 6.649 1.954 1.00 0.95 H new ATOM 0 HZ3 TRP A 77 -6.762 7.331 1.572 1.00 0.86 H new ATOM 0 HH2 TRP A 77 -4.537 7.069 0.558 1.00 0.92 H new ATOM 1183 N THR A 78 -7.256 9.189 8.496 1.00 0.91 N ATOM 1184 CA THR A 78 -8.469 9.694 9.116 1.00 0.93 C ATOM 1185 C THR A 78 -9.675 8.944 8.565 1.00 0.87 C ATOM 1186 O THR A 78 -9.907 8.919 7.340 1.00 0.81 O ATOM 1187 CB THR A 78 -8.645 11.207 8.873 1.00 0.98 C ATOM 1188 OG1 THR A 78 -7.438 11.901 9.217 1.00 1.06 O ATOM 1189 CG2 THR A 78 -9.800 11.764 9.692 1.00 1.05 C ATOM 0 H THR A 78 -6.851 9.814 7.799 1.00 0.91 H new ATOM 0 HA THR A 78 -8.388 9.534 10.191 1.00 0.93 H new ATOM 0 HB THR A 78 -8.867 11.355 7.816 1.00 0.98 H new ATOM 0 HG1 THR A 78 -7.556 12.861 9.059 1.00 1.06 H new ATOM 0 HG21 THR A 78 -9.900 12.832 9.500 1.00 1.05 H new ATOM 0 HG22 THR A 78 -10.723 11.257 9.411 1.00 1.05 H new ATOM 0 HG23 THR A 78 -9.605 11.602 10.752 1.00 1.05 H new ATOM 1197 N THR A 79 -10.425 8.333 9.476 1.00 0.90 N ATOM 1198 CA THR A 79 -11.589 7.547 9.119 1.00 0.87 C ATOM 1199 C THR A 79 -12.838 8.404 8.942 1.00 0.89 C ATOM 1200 O THR A 79 -13.181 9.238 9.784 1.00 0.98 O ATOM 1201 CB THR A 79 -11.857 6.431 10.160 1.00 0.92 C ATOM 1202 OG1 THR A 79 -12.901 5.565 9.698 1.00 0.94 O ATOM 1203 CG2 THR A 79 -12.236 6.999 11.520 1.00 1.03 C ATOM 0 H THR A 79 -10.240 8.372 10.478 1.00 0.90 H new ATOM 0 HA THR A 79 -11.363 7.086 8.157 1.00 0.87 H new ATOM 0 HB THR A 79 -10.931 5.868 10.276 1.00 0.92 H new ATOM 0 HG1 THR A 79 -12.639 5.164 8.843 1.00 0.94 H new ATOM 0 HG21 THR A 79 -12.415 6.182 12.219 1.00 1.03 H new ATOM 0 HG22 THR A 79 -11.424 7.624 11.893 1.00 1.03 H new ATOM 0 HG23 THR A 79 -13.141 7.599 11.424 1.00 1.03 H new ATOM 1211 N ASP A 80 -13.476 8.222 7.805 1.00 0.82 N ATOM 1212 CA ASP A 80 -14.705 8.917 7.482 1.00 0.86 C ATOM 1213 C ASP A 80 -15.664 7.929 6.843 1.00 0.82 C ATOM 1214 O ASP A 80 -15.232 7.007 6.156 1.00 0.76 O ATOM 1215 CB ASP A 80 -14.445 10.100 6.552 1.00 0.88 C ATOM 1216 CG ASP A 80 -15.664 10.979 6.369 1.00 1.00 C ATOM 1217 OD1 ASP A 80 -15.920 11.827 7.246 1.00 1.18 O ATOM 1218 OD2 ASP A 80 -16.372 10.820 5.350 1.00 1.10 O ATOM 0 H ASP A 80 -13.156 7.585 7.075 1.00 0.82 H new ATOM 0 HA ASP A 80 -15.143 9.320 8.395 1.00 0.86 H new ATOM 0 HB2 ASP A 80 -13.627 10.699 6.953 1.00 0.88 H new ATOM 0 HB3 ASP A 80 -14.121 9.728 5.580 1.00 0.88 H new ATOM 1223 N ASN A 81 -16.952 8.099 7.080 1.00 0.87 N ATOM 1224 CA ASN A 81 -17.952 7.191 6.525 1.00 0.86 C ATOM 1225 C ASN A 81 -18.181 7.455 5.034 1.00 0.83 C ATOM 1226 O ASN A 81 -19.025 6.815 4.407 1.00 1.10 O ATOM 1227 CB ASN A 81 -19.267 7.329 7.298 1.00 0.99 C ATOM 1228 CG ASN A 81 -20.026 6.017 7.443 1.00 1.09 C ATOM 1229 OD1 ASN A 81 -20.538 5.706 8.520 1.00 1.54 O ATOM 1230 ND2 ASN A 81 -20.129 5.249 6.368 1.00 1.32 N ATOM 0 H ASN A 81 -17.334 8.853 7.650 1.00 0.87 H new ATOM 0 HA ASN A 81 -17.579 6.172 6.627 1.00 0.86 H new ATOM 0 HB2 ASN A 81 -19.056 7.729 8.290 1.00 0.99 H new ATOM 0 HB3 ASN A 81 -19.903 8.054 6.790 1.00 0.99 H new ATOM 0 HD21 ASN A 81 -20.645 4.370 6.417 1.00 1.32 H new ATOM 0 HD22 ASN A 81 -19.693 5.537 5.492 1.00 1.32 H new ATOM 1237 N GLY A 82 -17.432 8.393 4.470 1.00 0.80 N ATOM 1238 CA GLY A 82 -17.577 8.704 3.064 1.00 0.76 C ATOM 1239 C GLY A 82 -16.251 8.777 2.334 1.00 0.69 C ATOM 1240 O GLY A 82 -16.063 8.116 1.315 1.00 0.66 O ATOM 0 H GLY A 82 -16.728 8.943 4.962 1.00 0.80 H new ATOM 0 HA2 GLY A 82 -18.204 7.947 2.593 1.00 0.76 H new ATOM 0 HA3 GLY A 82 -18.096 9.657 2.960 1.00 0.76 H new ATOM 1244 N VAL A 83 -15.332 9.585 2.842 1.00 0.71 N ATOM 1245 CA VAL A 83 -14.027 9.737 2.212 1.00 0.69 C ATOM 1246 C VAL A 83 -12.912 9.504 3.223 1.00 0.68 C ATOM 1247 O VAL A 83 -12.807 10.213 4.216 1.00 0.75 O ATOM 1248 CB VAL A 83 -13.855 11.136 1.579 1.00 0.78 C ATOM 1249 CG1 VAL A 83 -12.529 11.227 0.837 1.00 0.90 C ATOM 1250 CG2 VAL A 83 -15.017 11.458 0.650 1.00 1.06 C ATOM 0 H VAL A 83 -15.464 10.144 3.685 1.00 0.71 H new ATOM 0 HA VAL A 83 -13.967 8.990 1.421 1.00 0.69 H new ATOM 0 HB VAL A 83 -13.851 11.875 2.381 1.00 0.78 H new ATOM 0 HG11 VAL A 83 -12.425 12.219 0.398 1.00 0.90 H new ATOM 0 HG12 VAL A 83 -11.709 11.051 1.534 1.00 0.90 H new ATOM 0 HG13 VAL A 83 -12.502 10.476 0.047 1.00 0.90 H new ATOM 0 HG21 VAL A 83 -14.873 12.448 0.217 1.00 1.06 H new ATOM 0 HG22 VAL A 83 -15.062 10.716 -0.147 1.00 1.06 H new ATOM 0 HG23 VAL A 83 -15.949 11.441 1.214 1.00 1.06 H new ATOM 1260 N PHE A 84 -12.058 8.536 2.940 1.00 0.62 N ATOM 1261 CA PHE A 84 -10.959 8.207 3.838 1.00 0.63 C ATOM 1262 C PHE A 84 -9.715 8.970 3.416 1.00 0.66 C ATOM 1263 O PHE A 84 -9.361 8.961 2.238 1.00 0.66 O ATOM 1264 CB PHE A 84 -10.690 6.704 3.790 1.00 0.59 C ATOM 1265 CG PHE A 84 -10.522 6.073 5.139 1.00 0.72 C ATOM 1266 CD1 PHE A 84 -9.298 6.098 5.782 1.00 0.96 C ATOM 1267 CD2 PHE A 84 -11.589 5.444 5.757 1.00 0.90 C ATOM 1268 CE1 PHE A 84 -9.140 5.510 7.021 1.00 1.22 C ATOM 1269 CE2 PHE A 84 -11.437 4.854 6.995 1.00 1.17 C ATOM 1270 CZ PHE A 84 -10.210 4.888 7.627 1.00 1.27 C ATOM 0 H PHE A 84 -12.102 7.963 2.097 1.00 0.62 H new ATOM 0 HA PHE A 84 -11.224 8.489 4.857 1.00 0.63 H new ATOM 0 HB2 PHE A 84 -11.514 6.214 3.271 1.00 0.59 H new ATOM 0 HB3 PHE A 84 -9.790 6.525 3.201 1.00 0.59 H new ATOM 0 HD1 PHE A 84 -8.456 6.583 5.310 1.00 0.96 H new ATOM 0 HD2 PHE A 84 -12.550 5.415 5.265 1.00 0.90 H new ATOM 0 HE1 PHE A 84 -8.180 5.537 7.514 1.00 1.22 H new ATOM 0 HE2 PHE A 84 -12.276 4.367 7.469 1.00 1.17 H new ATOM 0 HZ PHE A 84 -10.089 4.427 8.596 1.00 1.27 H new ATOM 1280 N TYR A 85 -9.048 9.633 4.359 1.00 0.72 N ATOM 1281 CA TYR A 85 -7.857 10.406 4.004 1.00 0.77 C ATOM 1282 C TYR A 85 -6.892 10.538 5.169 1.00 0.84 C ATOM 1283 O TYR A 85 -7.305 10.567 6.316 1.00 0.87 O ATOM 1284 CB TYR A 85 -8.252 11.799 3.492 1.00 0.81 C ATOM 1285 CG TYR A 85 -9.067 12.636 4.459 1.00 0.85 C ATOM 1286 CD1 TYR A 85 -8.462 13.608 5.248 1.00 0.95 C ATOM 1287 CD2 TYR A 85 -10.444 12.475 4.560 1.00 0.87 C ATOM 1288 CE1 TYR A 85 -9.206 14.392 6.108 1.00 1.03 C ATOM 1289 CE2 TYR A 85 -11.193 13.252 5.423 1.00 0.95 C ATOM 1290 CZ TYR A 85 -10.570 14.210 6.192 1.00 1.02 C ATOM 1291 OH TYR A 85 -11.314 15.001 7.039 1.00 1.14 O ATOM 0 H TYR A 85 -9.301 9.653 5.347 1.00 0.72 H new ATOM 0 HA TYR A 85 -7.346 9.860 3.211 1.00 0.77 H new ATOM 0 HB2 TYR A 85 -7.344 12.346 3.239 1.00 0.81 H new ATOM 0 HB3 TYR A 85 -8.821 11.682 2.570 1.00 0.81 H new ATOM 0 HD1 TYR A 85 -7.393 13.752 5.187 1.00 0.95 H new ATOM 0 HD2 TYR A 85 -10.937 11.730 3.953 1.00 0.87 H new ATOM 0 HE1 TYR A 85 -8.721 15.145 6.712 1.00 1.03 H new ATOM 0 HE2 TYR A 85 -12.261 13.109 5.494 1.00 0.95 H new ATOM 0 HH TYR A 85 -12.258 14.746 6.979 1.00 1.14 H new ATOM 1301 N LYS A 86 -5.602 10.627 4.868 1.00 0.89 N ATOM 1302 CA LYS A 86 -4.590 10.766 5.909 1.00 0.98 C ATOM 1303 C LYS A 86 -4.228 12.231 6.120 1.00 1.04 C ATOM 1304 O LYS A 86 -4.179 13.013 5.172 1.00 1.08 O ATOM 1305 CB LYS A 86 -3.332 9.953 5.575 1.00 1.07 C ATOM 1306 CG LYS A 86 -2.588 10.411 4.328 1.00 1.10 C ATOM 1307 CD LYS A 86 -1.148 9.916 4.344 1.00 1.30 C ATOM 1308 CE LYS A 86 -0.349 10.454 3.167 1.00 1.21 C ATOM 1309 NZ LYS A 86 1.089 10.638 3.510 1.00 1.32 N ATOM 0 H LYS A 86 -5.233 10.606 3.917 1.00 0.89 H new ATOM 0 HA LYS A 86 -5.014 10.374 6.834 1.00 0.98 H new ATOM 0 HB2 LYS A 86 -2.651 9.999 6.425 1.00 1.07 H new ATOM 0 HB3 LYS A 86 -3.615 8.908 5.449 1.00 1.07 H new ATOM 0 HG2 LYS A 86 -3.096 10.038 3.439 1.00 1.10 H new ATOM 0 HG3 LYS A 86 -2.602 11.499 4.270 1.00 1.10 H new ATOM 0 HD2 LYS A 86 -0.670 10.219 5.276 1.00 1.30 H new ATOM 0 HD3 LYS A 86 -1.139 8.826 4.321 1.00 1.30 H new ATOM 0 HE2 LYS A 86 -0.436 9.768 2.325 1.00 1.21 H new ATOM 0 HE3 LYS A 86 -0.771 11.407 2.847 1.00 1.21 H new ATOM 0 HZ1 LYS A 86 1.637 10.791 2.639 1.00 1.32 H new ATOM 0 HZ2 LYS A 86 1.194 11.463 4.135 1.00 1.32 H new ATOM 0 HZ3 LYS A 86 1.442 9.789 3.996 1.00 1.32 H new ATOM 1323 N ASN A 87 -3.982 12.589 7.372 1.00 1.17 N ATOM 1324 CA ASN A 87 -3.622 13.955 7.735 1.00 1.30 C ATOM 1325 C ASN A 87 -2.150 14.214 7.432 1.00 1.34 C ATOM 1326 O ASN A 87 -1.743 15.350 7.176 1.00 1.63 O ATOM 1327 CB ASN A 87 -3.890 14.176 9.227 1.00 1.51 C ATOM 1328 CG ASN A 87 -4.128 15.632 9.601 1.00 1.78 C ATOM 1329 OD1 ASN A 87 -4.777 15.919 10.607 1.00 2.10 O ATOM 1330 ND2 ASN A 87 -3.613 16.556 8.808 1.00 2.29 N ATOM 0 H ASN A 87 -4.026 11.946 8.162 1.00 1.17 H new ATOM 0 HA ASN A 87 -4.227 14.648 7.149 1.00 1.30 H new ATOM 0 HB2 ASN A 87 -4.760 13.589 9.521 1.00 1.51 H new ATOM 0 HB3 ASN A 87 -3.042 13.798 9.798 1.00 1.51 H new ATOM 0 HD21 ASN A 87 -3.748 17.544 9.022 1.00 2.29 H new ATOM 0 HD22 ASN A 87 -3.081 16.281 7.983 1.00 2.29 H new ATOM 1337 N ASP A 88 -1.359 13.151 7.468 1.00 1.32 N ATOM 1338 CA ASP A 88 0.072 13.239 7.209 1.00 1.39 C ATOM 1339 C ASP A 88 0.339 13.644 5.767 1.00 1.35 C ATOM 1340 O ASP A 88 -0.217 13.059 4.837 1.00 1.26 O ATOM 1341 CB ASP A 88 0.752 11.899 7.502 1.00 1.47 C ATOM 1342 CG ASP A 88 1.132 11.741 8.960 1.00 1.67 C ATOM 1343 OD1 ASP A 88 2.129 12.353 9.388 1.00 2.04 O ATOM 1344 OD2 ASP A 88 0.443 10.991 9.684 1.00 2.28 O ATOM 0 H ASP A 88 -1.688 12.208 7.676 1.00 1.32 H new ATOM 0 HA ASP A 88 0.485 14.002 7.869 1.00 1.39 H new ATOM 0 HB2 ASP A 88 0.084 11.087 7.215 1.00 1.47 H new ATOM 0 HB3 ASP A 88 1.647 11.808 6.886 1.00 1.47 H new ATOM 1349 N VAL A 89 1.199 14.633 5.585 1.00 1.50 N ATOM 1350 CA VAL A 89 1.532 15.113 4.252 1.00 1.55 C ATOM 1351 C VAL A 89 2.575 14.215 3.601 1.00 1.56 C ATOM 1352 O VAL A 89 3.225 13.410 4.274 1.00 1.67 O ATOM 1353 CB VAL A 89 2.053 16.566 4.273 1.00 1.74 C ATOM 1354 CG1 VAL A 89 0.949 17.525 4.694 1.00 1.76 C ATOM 1355 CG2 VAL A 89 3.265 16.695 5.186 1.00 1.94 C ATOM 0 H VAL A 89 1.679 15.119 6.342 1.00 1.50 H new ATOM 0 HA VAL A 89 0.611 15.088 3.670 1.00 1.55 H new ATOM 0 HB VAL A 89 2.366 16.831 3.263 1.00 1.74 H new ATOM 0 HG11 VAL A 89 1.336 18.544 4.703 1.00 1.76 H new ATOM 0 HG12 VAL A 89 0.120 17.458 3.989 1.00 1.76 H new ATOM 0 HG13 VAL A 89 0.599 17.261 5.692 1.00 1.76 H new ATOM 0 HG21 VAL A 89 3.614 17.728 5.184 1.00 1.94 H new ATOM 0 HG22 VAL A 89 2.989 16.407 6.200 1.00 1.94 H new ATOM 0 HG23 VAL A 89 4.061 16.042 4.828 1.00 1.94 H new ATOM 1365 N GLY A 90 2.719 14.345 2.295 1.00 1.49 N ATOM 1366 CA GLY A 90 3.676 13.543 1.572 1.00 1.52 C ATOM 1367 C GLY A 90 3.012 12.380 0.873 1.00 1.40 C ATOM 1368 O GLY A 90 1.898 11.988 1.236 1.00 1.31 O ATOM 0 H GLY A 90 2.186 14.997 1.719 1.00 1.49 H new ATOM 0 HA2 GLY A 90 4.191 14.163 0.838 1.00 1.52 H new ATOM 0 HA3 GLY A 90 4.433 13.170 2.261 1.00 1.52 H new ATOM 1372 N SER A 91 3.683 11.837 -0.131 1.00 1.44 N ATOM 1373 CA SER A 91 3.161 10.713 -0.889 1.00 1.36 C ATOM 1374 C SER A 91 2.935 9.499 0.011 1.00 1.32 C ATOM 1375 O SER A 91 3.326 9.490 1.181 1.00 1.47 O ATOM 1376 CB SER A 91 4.136 10.371 -2.015 1.00 1.44 C ATOM 1377 OG SER A 91 4.685 11.551 -2.577 1.00 1.65 O ATOM 0 H SER A 91 4.599 12.161 -0.441 1.00 1.44 H new ATOM 0 HA SER A 91 2.196 10.991 -1.314 1.00 1.36 H new ATOM 0 HB2 SER A 91 4.936 9.739 -1.630 1.00 1.44 H new ATOM 0 HB3 SER A 91 3.621 9.799 -2.787 1.00 1.44 H new ATOM 0 HG SER A 91 4.001 12.008 -3.110 1.00 1.65 H new ATOM 1383 N TRP A 92 2.288 8.481 -0.525 1.00 1.21 N ATOM 1384 CA TRP A 92 2.023 7.281 0.240 1.00 1.17 C ATOM 1385 C TRP A 92 2.276 6.044 -0.602 1.00 1.19 C ATOM 1386 O TRP A 92 1.999 6.031 -1.801 1.00 1.38 O ATOM 1387 CB TRP A 92 0.586 7.275 0.759 1.00 1.11 C ATOM 1388 CG TRP A 92 0.402 6.346 1.915 1.00 1.09 C ATOM 1389 CD1 TRP A 92 0.872 6.522 3.182 1.00 1.20 C ATOM 1390 CD2 TRP A 92 -0.287 5.092 1.911 1.00 1.03 C ATOM 1391 NE1 TRP A 92 0.525 5.451 3.965 1.00 1.22 N ATOM 1392 CE2 TRP A 92 -0.190 4.561 3.210 1.00 1.10 C ATOM 1393 CE3 TRP A 92 -0.975 4.364 0.937 1.00 1.03 C ATOM 1394 CZ2 TRP A 92 -0.756 3.337 3.560 1.00 1.13 C ATOM 1395 CZ3 TRP A 92 -1.536 3.150 1.286 1.00 1.07 C ATOM 1396 CH2 TRP A 92 -1.424 2.647 2.587 1.00 1.10 C ATOM 0 H TRP A 92 1.938 8.462 -1.483 1.00 1.21 H new ATOM 0 HA TRP A 92 2.701 7.270 1.093 1.00 1.17 H new ATOM 0 HB2 TRP A 92 0.307 8.285 1.060 1.00 1.11 H new ATOM 0 HB3 TRP A 92 -0.088 6.985 -0.047 1.00 1.11 H new ATOM 0 HD1 TRP A 92 1.435 7.379 3.520 1.00 1.20 H new ATOM 0 HE1 TRP A 92 0.761 5.336 4.951 1.00 1.22 H new ATOM 0 HE3 TRP A 92 -1.067 4.743 -0.070 1.00 1.03 H new ATOM 0 HZ2 TRP A 92 -0.670 2.947 4.564 1.00 1.13 H new ATOM 0 HZ3 TRP A 92 -2.071 2.579 0.541 1.00 1.07 H new ATOM 0 HH2 TRP A 92 -1.874 1.695 2.827 1.00 1.10 H new ATOM 1407 N GLY A 93 2.813 5.017 0.030 1.00 1.21 N ATOM 1408 CA GLY A 93 3.089 3.782 -0.659 1.00 1.23 C ATOM 1409 C GLY A 93 2.971 2.597 0.266 1.00 1.24 C ATOM 1410 O GLY A 93 3.912 2.264 0.986 1.00 1.50 O ATOM 0 H GLY A 93 3.065 5.019 1.018 1.00 1.21 H new ATOM 0 HA2 GLY A 93 2.396 3.666 -1.492 1.00 1.23 H new ATOM 0 HA3 GLY A 93 4.093 3.816 -1.082 1.00 1.23 H new ATOM 1414 N GLY A 94 1.820 1.953 0.252 1.00 1.08 N ATOM 1415 CA GLY A 94 1.616 0.816 1.118 1.00 1.10 C ATOM 1416 C GLY A 94 0.523 -0.096 0.626 1.00 1.05 C ATOM 1417 O GLY A 94 0.273 -0.190 -0.576 1.00 1.05 O ATOM 0 H GLY A 94 1.026 2.195 -0.340 1.00 1.08 H new ATOM 0 HA2 GLY A 94 2.546 0.253 1.198 1.00 1.10 H new ATOM 0 HA3 GLY A 94 1.369 1.166 2.120 1.00 1.10 H new ATOM 1421 N THR A 95 -0.131 -0.763 1.554 1.00 1.03 N ATOM 1422 CA THR A 95 -1.202 -1.675 1.222 1.00 1.00 C ATOM 1423 C THR A 95 -2.483 -1.279 1.945 1.00 0.93 C ATOM 1424 O THR A 95 -2.470 -1.027 3.151 1.00 0.95 O ATOM 1425 CB THR A 95 -0.823 -3.125 1.590 1.00 1.10 C ATOM 1426 OG1 THR A 95 0.255 -3.128 2.543 1.00 1.31 O ATOM 1427 CG2 THR A 95 -0.407 -3.908 0.353 1.00 1.23 C ATOM 0 H THR A 95 0.064 -0.688 2.552 1.00 1.03 H new ATOM 0 HA THR A 95 -1.368 -1.620 0.146 1.00 1.00 H new ATOM 0 HB THR A 95 -1.699 -3.602 2.029 1.00 1.10 H new ATOM 0 HG1 THR A 95 0.090 -2.444 3.226 1.00 1.31 H new ATOM 0 HG21 THR A 95 -0.145 -4.927 0.638 1.00 1.23 H new ATOM 0 HG22 THR A 95 -1.233 -3.932 -0.358 1.00 1.23 H new ATOM 0 HG23 THR A 95 0.455 -3.427 -0.109 1.00 1.23 H new ATOM 1435 N ILE A 96 -3.576 -1.183 1.204 1.00 0.89 N ATOM 1436 CA ILE A 96 -4.861 -0.838 1.794 1.00 0.84 C ATOM 1437 C ILE A 96 -5.773 -2.051 1.796 1.00 0.87 C ATOM 1438 O ILE A 96 -5.612 -2.959 0.977 1.00 0.93 O ATOM 1439 CB ILE A 96 -5.567 0.325 1.059 1.00 0.78 C ATOM 1440 CG1 ILE A 96 -5.648 0.045 -0.444 1.00 0.78 C ATOM 1441 CG2 ILE A 96 -4.852 1.641 1.328 1.00 0.83 C ATOM 1442 CD1 ILE A 96 -6.556 0.996 -1.192 1.00 0.79 C ATOM 0 H ILE A 96 -3.600 -1.338 0.196 1.00 0.89 H new ATOM 0 HA ILE A 96 -4.659 -0.509 2.813 1.00 0.84 H new ATOM 0 HB ILE A 96 -6.584 0.407 1.443 1.00 0.78 H new ATOM 0 HG12 ILE A 96 -4.646 0.103 -0.870 1.00 0.78 H new ATOM 0 HG13 ILE A 96 -6.001 -0.975 -0.596 1.00 0.78 H new ATOM 0 HG21 ILE A 96 -5.364 2.447 0.802 1.00 0.83 H new ATOM 0 HG22 ILE A 96 -4.857 1.845 2.399 1.00 0.83 H new ATOM 0 HG23 ILE A 96 -3.823 1.574 0.976 1.00 0.83 H new ATOM 0 HD11 ILE A 96 -6.563 0.736 -2.250 1.00 0.79 H new ATOM 0 HD12 ILE A 96 -7.568 0.922 -0.794 1.00 0.79 H new ATOM 0 HD13 ILE A 96 -6.192 2.017 -1.072 1.00 0.79 H new ATOM 1454 N GLY A 97 -6.711 -2.070 2.723 1.00 0.88 N ATOM 1455 CA GLY A 97 -7.638 -3.170 2.817 1.00 0.93 C ATOM 1456 C GLY A 97 -9.046 -2.688 3.074 1.00 0.87 C ATOM 1457 O GLY A 97 -9.249 -1.573 3.562 1.00 0.85 O ATOM 0 H GLY A 97 -6.847 -1.336 3.418 1.00 0.88 H new ATOM 0 HA2 GLY A 97 -7.613 -3.748 1.893 1.00 0.93 H new ATOM 0 HA3 GLY A 97 -7.329 -3.839 3.620 1.00 0.93 H new ATOM 1461 N ILE A 98 -10.017 -3.515 2.734 1.00 0.86 N ATOM 1462 CA ILE A 98 -11.412 -3.175 2.941 1.00 0.82 C ATOM 1463 C ILE A 98 -11.881 -3.733 4.279 1.00 0.87 C ATOM 1464 O ILE A 98 -11.809 -4.937 4.516 1.00 0.94 O ATOM 1465 CB ILE A 98 -12.311 -3.722 1.805 1.00 0.83 C ATOM 1466 CG1 ILE A 98 -11.839 -3.212 0.438 1.00 0.86 C ATOM 1467 CG2 ILE A 98 -13.765 -3.333 2.034 1.00 0.83 C ATOM 1468 CD1 ILE A 98 -10.896 -4.157 -0.277 1.00 1.03 C ATOM 0 H ILE A 98 -9.864 -4.431 2.312 1.00 0.86 H new ATOM 0 HA ILE A 98 -11.495 -2.088 2.939 1.00 0.82 H new ATOM 0 HB ILE A 98 -12.234 -4.809 1.814 1.00 0.83 H new ATOM 0 HG12 ILE A 98 -12.710 -3.036 -0.194 1.00 0.86 H new ATOM 0 HG13 ILE A 98 -11.343 -2.251 0.571 1.00 0.86 H new ATOM 0 HG21 ILE A 98 -14.379 -3.727 1.224 1.00 0.83 H new ATOM 0 HG22 ILE A 98 -14.107 -3.746 2.983 1.00 0.83 H new ATOM 0 HG23 ILE A 98 -13.851 -2.247 2.059 1.00 0.83 H new ATOM 0 HD11 ILE A 98 -10.607 -3.726 -1.236 1.00 1.03 H new ATOM 0 HD12 ILE A 98 -10.007 -4.314 0.333 1.00 1.03 H new ATOM 0 HD13 ILE A 98 -11.395 -5.112 -0.444 1.00 1.03 H new ATOM 1480 N TYR A 99 -12.340 -2.854 5.152 1.00 0.85 N ATOM 1481 CA TYR A 99 -12.812 -3.258 6.466 1.00 0.92 C ATOM 1482 C TYR A 99 -14.290 -2.926 6.610 1.00 0.91 C ATOM 1483 O TYR A 99 -14.731 -1.851 6.214 1.00 0.92 O ATOM 1484 CB TYR A 99 -11.996 -2.559 7.557 1.00 0.95 C ATOM 1485 CG TYR A 99 -10.510 -2.842 7.481 1.00 0.98 C ATOM 1486 CD1 TYR A 99 -9.955 -3.921 8.150 1.00 1.08 C ATOM 1487 CD2 TYR A 99 -9.663 -2.027 6.742 1.00 0.99 C ATOM 1488 CE1 TYR A 99 -8.599 -4.180 8.087 1.00 1.13 C ATOM 1489 CE2 TYR A 99 -8.306 -2.281 6.673 1.00 1.04 C ATOM 1490 CZ TYR A 99 -7.779 -3.359 7.347 1.00 1.08 C ATOM 1491 OH TYR A 99 -6.429 -3.616 7.284 1.00 1.16 O ATOM 0 H TYR A 99 -12.396 -1.851 4.974 1.00 0.85 H new ATOM 0 HA TYR A 99 -12.684 -4.335 6.576 1.00 0.92 H new ATOM 0 HB2 TYR A 99 -12.156 -1.483 7.485 1.00 0.95 H new ATOM 0 HB3 TYR A 99 -12.367 -2.872 8.533 1.00 0.95 H new ATOM 0 HD1 TYR A 99 -10.593 -4.571 8.731 1.00 1.08 H new ATOM 0 HD2 TYR A 99 -10.072 -1.180 6.212 1.00 0.99 H new ATOM 0 HE1 TYR A 99 -8.184 -5.024 8.617 1.00 1.13 H new ATOM 0 HE2 TYR A 99 -7.662 -1.636 6.093 1.00 1.04 H new ATOM 0 HH TYR A 99 -6.033 -3.105 6.548 1.00 1.16 H new ATOM 1501 N VAL A 100 -15.051 -3.853 7.164 1.00 0.98 N ATOM 1502 CA VAL A 100 -16.480 -3.653 7.339 1.00 0.99 C ATOM 1503 C VAL A 100 -16.775 -2.830 8.588 1.00 1.02 C ATOM 1504 O VAL A 100 -16.062 -2.923 9.592 1.00 1.07 O ATOM 1505 CB VAL A 100 -17.233 -5.003 7.429 1.00 1.08 C ATOM 1506 CG1 VAL A 100 -17.011 -5.670 8.781 1.00 1.17 C ATOM 1507 CG2 VAL A 100 -18.717 -4.809 7.161 1.00 1.11 C ATOM 0 H VAL A 100 -14.704 -4.751 7.500 1.00 0.98 H new ATOM 0 HA VAL A 100 -16.831 -3.109 6.462 1.00 0.99 H new ATOM 0 HB VAL A 100 -16.829 -5.663 6.662 1.00 1.08 H new ATOM 0 HG11 VAL A 100 -17.552 -6.616 8.813 1.00 1.17 H new ATOM 0 HG12 VAL A 100 -15.947 -5.856 8.925 1.00 1.17 H new ATOM 0 HG13 VAL A 100 -17.375 -5.016 9.573 1.00 1.17 H new ATOM 0 HG21 VAL A 100 -19.228 -5.770 7.229 1.00 1.11 H new ATOM 0 HG22 VAL A 100 -19.133 -4.124 7.899 1.00 1.11 H new ATOM 0 HG23 VAL A 100 -18.855 -4.395 6.162 1.00 1.11 H new ATOM 1517 N ASP A 101 -17.799 -1.996 8.511 1.00 1.00 N ATOM 1518 CA ASP A 101 -18.198 -1.199 9.654 1.00 1.05 C ATOM 1519 C ASP A 101 -19.184 -2.009 10.483 1.00 1.12 C ATOM 1520 O ASP A 101 -20.367 -2.100 10.142 1.00 1.14 O ATOM 1521 CB ASP A 101 -18.833 0.118 9.197 1.00 1.04 C ATOM 1522 CG ASP A 101 -19.260 0.990 10.362 1.00 1.12 C ATOM 1523 OD1 ASP A 101 -18.398 1.334 11.200 1.00 1.26 O ATOM 1524 OD2 ASP A 101 -20.458 1.339 10.445 1.00 1.18 O ATOM 0 H ASP A 101 -18.364 -1.855 7.674 1.00 1.00 H new ATOM 0 HA ASP A 101 -17.324 -0.952 10.256 1.00 1.05 H new ATOM 0 HB2 ASP A 101 -18.122 0.666 8.579 1.00 1.04 H new ATOM 0 HB3 ASP A 101 -19.699 -0.097 8.572 1.00 1.04 H new ATOM 1529 N GLY A 102 -18.691 -2.597 11.566 1.00 1.19 N ATOM 1530 CA GLY A 102 -19.531 -3.422 12.412 1.00 1.28 C ATOM 1531 C GLY A 102 -19.704 -4.813 11.829 1.00 1.30 C ATOM 1532 O GLY A 102 -19.913 -4.962 10.624 1.00 1.33 O ATOM 0 H GLY A 102 -17.722 -2.517 11.874 1.00 1.19 H new ATOM 0 HA2 GLY A 102 -19.090 -3.494 13.406 1.00 1.28 H new ATOM 0 HA3 GLY A 102 -20.507 -2.951 12.530 1.00 1.28 H new ATOM 1536 N GLN A 103 -19.600 -5.837 12.672 1.00 1.37 N ATOM 1537 CA GLN A 103 -19.749 -7.217 12.213 1.00 1.42 C ATOM 1538 C GLN A 103 -21.094 -7.405 11.514 1.00 1.42 C ATOM 1539 O GLN A 103 -22.141 -7.023 12.036 1.00 1.49 O ATOM 1540 CB GLN A 103 -19.591 -8.226 13.361 1.00 1.56 C ATOM 1541 CG GLN A 103 -20.017 -7.715 14.732 1.00 1.68 C ATOM 1542 CD GLN A 103 -18.909 -6.972 15.456 1.00 1.79 C ATOM 1543 OE1 GLN A 103 -18.849 -5.743 15.430 1.00 1.94 O ATOM 1544 NE2 GLN A 103 -18.015 -7.712 16.091 1.00 1.91 N ATOM 0 H GLN A 103 -19.414 -5.740 13.670 1.00 1.37 H new ATOM 0 HA GLN A 103 -18.949 -7.411 11.499 1.00 1.42 H new ATOM 0 HB2 GLN A 103 -20.174 -9.116 13.125 1.00 1.56 H new ATOM 0 HB3 GLN A 103 -18.547 -8.533 13.413 1.00 1.56 H new ATOM 0 HG2 GLN A 103 -20.876 -7.054 14.617 1.00 1.68 H new ATOM 0 HG3 GLN A 103 -20.342 -8.557 15.343 1.00 1.68 H new ATOM 0 HE21 GLN A 103 -18.100 -8.728 16.089 1.00 1.91 H new ATOM 0 HE22 GLN A 103 -17.241 -7.266 16.583 1.00 1.91 H new ATOM 1553 N GLN A 104 -21.049 -7.990 10.326 1.00 1.41 N ATOM 1554 CA GLN A 104 -22.247 -8.197 9.520 1.00 1.45 C ATOM 1555 C GLN A 104 -23.025 -9.451 9.929 1.00 1.52 C ATOM 1556 O GLN A 104 -24.180 -9.615 9.545 1.00 1.57 O ATOM 1557 CB GLN A 104 -21.853 -8.282 8.042 1.00 1.47 C ATOM 1558 CG GLN A 104 -23.035 -8.344 7.087 1.00 1.60 C ATOM 1559 CD GLN A 104 -23.921 -7.118 7.171 1.00 1.64 C ATOM 1560 OE1 GLN A 104 -23.715 -6.142 6.453 1.00 1.79 O ATOM 1561 NE2 GLN A 104 -24.921 -7.166 8.033 1.00 1.80 N ATOM 0 H GLN A 104 -20.190 -8.332 9.895 1.00 1.41 H new ATOM 0 HA GLN A 104 -22.909 -7.347 9.688 1.00 1.45 H new ATOM 0 HB2 GLN A 104 -21.241 -7.416 7.790 1.00 1.47 H new ATOM 0 HB3 GLN A 104 -21.232 -9.165 7.893 1.00 1.47 H new ATOM 0 HG2 GLN A 104 -22.667 -8.452 6.067 1.00 1.60 H new ATOM 0 HG3 GLN A 104 -23.628 -9.231 7.307 1.00 1.60 H new ATOM 0 HE21 GLN A 104 -25.057 -7.996 8.611 1.00 1.80 H new ATOM 0 HE22 GLN A 104 -25.557 -6.373 8.121 1.00 1.80 H new ATOM 1570 N THR A 105 -22.400 -10.327 10.711 1.00 1.56 N ATOM 1571 CA THR A 105 -23.037 -11.578 11.148 1.00 1.65 C ATOM 1572 C THR A 105 -23.258 -12.520 9.957 1.00 1.66 C ATOM 1573 O THR A 105 -24.095 -13.422 10.004 1.00 1.74 O ATOM 1574 CB THR A 105 -24.386 -11.331 11.864 1.00 1.72 C ATOM 1575 OG1 THR A 105 -24.383 -10.045 12.503 1.00 1.71 O ATOM 1576 CG2 THR A 105 -24.650 -12.410 12.904 1.00 1.83 C ATOM 0 H THR A 105 -21.450 -10.198 11.059 1.00 1.56 H new ATOM 0 HA THR A 105 -22.356 -12.042 11.862 1.00 1.65 H new ATOM 0 HB THR A 105 -25.176 -11.361 11.113 1.00 1.72 H new ATOM 0 HG1 THR A 105 -25.243 -9.900 12.951 1.00 1.71 H new ATOM 0 HG21 THR A 105 -25.604 -12.216 13.395 1.00 1.83 H new ATOM 0 HG22 THR A 105 -24.684 -13.384 12.417 1.00 1.83 H new ATOM 0 HG23 THR A 105 -23.852 -12.403 13.646 1.00 1.83 H new ATOM 1584 N ASN A 106 -22.495 -12.284 8.891 1.00 1.60 N ATOM 1585 CA ASN A 106 -22.559 -13.088 7.666 1.00 1.62 C ATOM 1586 C ASN A 106 -23.959 -13.115 7.051 1.00 1.65 C ATOM 1587 O ASN A 106 -24.512 -14.187 6.796 1.00 1.73 O ATOM 1588 CB ASN A 106 -22.082 -14.519 7.921 1.00 1.70 C ATOM 1589 CG ASN A 106 -21.665 -15.217 6.637 1.00 1.73 C ATOM 1590 OD1 ASN A 106 -21.231 -14.573 5.676 1.00 1.84 O ATOM 1591 ND2 ASN A 106 -21.793 -16.533 6.609 1.00 1.89 N ATOM 0 H ASN A 106 -21.812 -11.528 8.850 1.00 1.60 H new ATOM 0 HA ASN A 106 -21.892 -12.606 6.952 1.00 1.62 H new ATOM 0 HB2 ASN A 106 -21.241 -14.503 8.614 1.00 1.70 H new ATOM 0 HB3 ASN A 106 -22.879 -15.087 8.400 1.00 1.70 H new ATOM 0 HD21 ASN A 106 -21.529 -17.053 5.772 1.00 1.89 H new ATOM 0 HD22 ASN A 106 -22.156 -17.028 7.424 1.00 1.89 H new ATOM 1598 N THR A 107 -24.535 -11.941 6.831 1.00 1.60 N ATOM 1599 CA THR A 107 -25.849 -11.845 6.209 1.00 1.63 C ATOM 1600 C THR A 107 -25.770 -12.387 4.782 1.00 1.63 C ATOM 1601 O THR A 107 -24.831 -12.050 4.061 1.00 1.57 O ATOM 1602 CB THR A 107 -26.330 -10.381 6.181 1.00 1.59 C ATOM 1603 OG1 THR A 107 -25.986 -9.744 7.414 1.00 1.64 O ATOM 1604 CG2 THR A 107 -27.833 -10.287 5.965 1.00 2.00 C ATOM 0 H THR A 107 -24.115 -11.044 7.073 1.00 1.60 H new ATOM 0 HA THR A 107 -26.560 -12.432 6.791 1.00 1.63 H new ATOM 0 HB THR A 107 -25.838 -9.881 5.347 1.00 1.59 H new ATOM 0 HG1 THR A 107 -26.644 -9.047 7.617 1.00 1.64 H new ATOM 0 HG21 THR A 107 -28.134 -9.239 5.951 1.00 2.00 H new ATOM 0 HG22 THR A 107 -28.094 -10.752 5.014 1.00 2.00 H new ATOM 0 HG23 THR A 107 -28.350 -10.802 6.775 1.00 2.00 H new ATOM 1612 N PRO A 108 -26.730 -13.252 4.382 1.00 1.71 N ATOM 1613 CA PRO A 108 -26.785 -13.869 3.049 1.00 1.74 C ATOM 1614 C PRO A 108 -26.247 -12.977 1.927 1.00 1.65 C ATOM 1615 O PRO A 108 -26.909 -12.031 1.492 1.00 1.62 O ATOM 1616 CB PRO A 108 -28.278 -14.114 2.878 1.00 1.82 C ATOM 1617 CG PRO A 108 -28.757 -14.444 4.252 1.00 1.89 C ATOM 1618 CD PRO A 108 -27.857 -13.706 5.217 1.00 1.81 C ATOM 0 HA PRO A 108 -26.159 -14.759 2.984 1.00 1.74 H new ATOM 0 HB2 PRO A 108 -28.783 -13.233 2.482 1.00 1.82 H new ATOM 0 HB3 PRO A 108 -28.470 -14.931 2.183 1.00 1.82 H new ATOM 0 HG2 PRO A 108 -29.796 -14.140 4.383 1.00 1.89 H new ATOM 0 HG3 PRO A 108 -28.715 -15.519 4.429 1.00 1.89 H new ATOM 0 HD2 PRO A 108 -28.374 -12.866 5.681 1.00 1.81 H new ATOM 0 HD3 PRO A 108 -27.519 -14.356 6.024 1.00 1.81 H new ATOM 1626 N PRO A 109 -25.023 -13.263 1.461 1.00 1.61 N ATOM 1627 CA PRO A 109 -24.375 -12.498 0.409 1.00 1.54 C ATOM 1628 C PRO A 109 -24.671 -13.027 -0.994 1.00 1.58 C ATOM 1629 O PRO A 109 -25.602 -13.809 -1.201 1.00 1.68 O ATOM 1630 CB PRO A 109 -22.895 -12.672 0.748 1.00 1.51 C ATOM 1631 CG PRO A 109 -22.797 -14.016 1.396 1.00 1.59 C ATOM 1632 CD PRO A 109 -24.164 -14.354 1.943 1.00 1.67 C ATOM 0 HA PRO A 109 -24.720 -11.464 0.380 1.00 1.54 H new ATOM 0 HB2 PRO A 109 -22.277 -12.621 -0.148 1.00 1.51 H new ATOM 0 HB3 PRO A 109 -22.549 -11.885 1.419 1.00 1.51 H new ATOM 0 HG2 PRO A 109 -22.476 -14.767 0.675 1.00 1.59 H new ATOM 0 HG3 PRO A 109 -22.056 -14.004 2.195 1.00 1.59 H new ATOM 0 HD2 PRO A 109 -24.510 -15.323 1.582 1.00 1.67 H new ATOM 0 HD3 PRO A 109 -24.156 -14.404 3.032 1.00 1.67 H new ATOM 1640 N GLY A 110 -23.867 -12.583 -1.949 1.00 1.54 N ATOM 1641 CA GLY A 110 -24.018 -12.995 -3.328 1.00 1.58 C ATOM 1642 C GLY A 110 -22.952 -12.368 -4.195 1.00 1.52 C ATOM 1643 O GLY A 110 -21.852 -12.906 -4.323 1.00 1.53 O ATOM 0 H GLY A 110 -23.099 -11.932 -1.787 1.00 1.54 H new ATOM 0 HA2 GLY A 110 -23.956 -14.081 -3.397 1.00 1.58 H new ATOM 0 HA3 GLY A 110 -25.005 -12.708 -3.692 1.00 1.58 H new ATOM 1647 N ASN A 111 -23.268 -11.220 -4.768 1.00 1.49 N ATOM 1648 CA ASN A 111 -22.326 -10.504 -5.611 1.00 1.44 C ATOM 1649 C ASN A 111 -22.410 -9.011 -5.315 1.00 1.36 C ATOM 1650 O ASN A 111 -23.448 -8.388 -5.531 1.00 1.37 O ATOM 1651 CB ASN A 111 -22.629 -10.773 -7.087 1.00 1.51 C ATOM 1652 CG ASN A 111 -21.425 -10.558 -7.981 1.00 1.49 C ATOM 1653 OD1 ASN A 111 -21.152 -9.442 -8.417 1.00 1.50 O ATOM 1654 ND2 ASN A 111 -20.701 -11.628 -8.272 1.00 1.64 N ATOM 0 H ASN A 111 -24.173 -10.762 -4.664 1.00 1.49 H new ATOM 0 HA ASN A 111 -21.315 -10.852 -5.398 1.00 1.44 H new ATOM 0 HB2 ASN A 111 -22.982 -11.798 -7.200 1.00 1.51 H new ATOM 0 HB3 ASN A 111 -23.439 -10.120 -7.412 1.00 1.51 H new ATOM 0 HD21 ASN A 111 -19.885 -11.542 -8.878 1.00 1.64 H new ATOM 0 HD22 ASN A 111 -20.960 -12.538 -7.891 1.00 1.64 H new ATOM 1661 N TYR A 112 -21.329 -8.444 -4.800 1.00 1.29 N ATOM 1662 CA TYR A 112 -21.304 -7.025 -4.471 1.00 1.22 C ATOM 1663 C TYR A 112 -20.141 -6.339 -5.165 1.00 1.16 C ATOM 1664 O TYR A 112 -19.005 -6.805 -5.099 1.00 1.16 O ATOM 1665 CB TYR A 112 -21.186 -6.813 -2.957 1.00 1.18 C ATOM 1666 CG TYR A 112 -22.224 -7.548 -2.142 1.00 1.23 C ATOM 1667 CD1 TYR A 112 -23.422 -6.938 -1.795 1.00 1.23 C ATOM 1668 CD2 TYR A 112 -22.003 -8.849 -1.712 1.00 1.31 C ATOM 1669 CE1 TYR A 112 -24.370 -7.605 -1.044 1.00 1.30 C ATOM 1670 CE2 TYR A 112 -22.946 -9.521 -0.965 1.00 1.38 C ATOM 1671 CZ TYR A 112 -24.126 -8.896 -0.633 1.00 1.36 C ATOM 1672 OH TYR A 112 -25.066 -9.567 0.111 1.00 1.44 O ATOM 0 H TYR A 112 -20.461 -8.941 -4.601 1.00 1.29 H new ATOM 0 HA TYR A 112 -22.241 -6.589 -4.817 1.00 1.22 H new ATOM 0 HB2 TYR A 112 -20.195 -7.132 -2.634 1.00 1.18 H new ATOM 0 HB3 TYR A 112 -21.263 -5.747 -2.744 1.00 1.18 H new ATOM 0 HD1 TYR A 112 -23.616 -5.926 -2.118 1.00 1.23 H new ATOM 0 HD2 TYR A 112 -21.077 -9.343 -1.967 1.00 1.31 H new ATOM 0 HE1 TYR A 112 -25.297 -7.117 -0.781 1.00 1.30 H new ATOM 0 HE2 TYR A 112 -22.760 -10.534 -0.641 1.00 1.38 H new ATOM 0 HH TYR A 112 -25.686 -10.033 -0.488 1.00 1.44 H new ATOM 1682 N THR A 113 -20.427 -5.242 -5.837 1.00 1.14 N ATOM 1683 CA THR A 113 -19.400 -4.488 -6.528 1.00 1.10 C ATOM 1684 C THR A 113 -19.212 -3.131 -5.864 1.00 1.03 C ATOM 1685 O THR A 113 -20.177 -2.386 -5.682 1.00 1.06 O ATOM 1686 CB THR A 113 -19.761 -4.287 -8.011 1.00 1.16 C ATOM 1687 OG1 THR A 113 -20.423 -5.456 -8.509 1.00 1.25 O ATOM 1688 CG2 THR A 113 -18.514 -4.019 -8.836 1.00 1.15 C ATOM 0 H THR A 113 -21.366 -4.852 -5.919 1.00 1.14 H new ATOM 0 HA THR A 113 -18.472 -5.056 -6.471 1.00 1.10 H new ATOM 0 HB THR A 113 -20.424 -3.426 -8.092 1.00 1.16 H new ATOM 0 HG1 THR A 113 -20.639 -5.331 -9.457 1.00 1.25 H new ATOM 0 HG21 THR A 113 -18.792 -3.880 -9.881 1.00 1.15 H new ATOM 0 HG22 THR A 113 -18.021 -3.119 -8.469 1.00 1.15 H new ATOM 0 HG23 THR A 113 -17.833 -4.866 -8.751 1.00 1.15 H new ATOM 1696 N LEU A 114 -17.980 -2.822 -5.483 1.00 0.95 N ATOM 1697 CA LEU A 114 -17.682 -1.554 -4.840 1.00 0.89 C ATOM 1698 C LEU A 114 -16.508 -0.878 -5.535 1.00 0.86 C ATOM 1699 O LEU A 114 -15.361 -1.317 -5.425 1.00 0.86 O ATOM 1700 CB LEU A 114 -17.394 -1.747 -3.342 1.00 0.85 C ATOM 1701 CG LEU A 114 -16.468 -2.915 -2.994 1.00 0.86 C ATOM 1702 CD1 LEU A 114 -15.492 -2.509 -1.899 1.00 0.85 C ATOM 1703 CD2 LEU A 114 -17.275 -4.134 -2.563 1.00 0.91 C ATOM 0 H LEU A 114 -17.173 -3.433 -5.609 1.00 0.95 H new ATOM 0 HA LEU A 114 -18.557 -0.910 -4.927 1.00 0.89 H new ATOM 0 HB2 LEU A 114 -16.954 -0.829 -2.953 1.00 0.85 H new ATOM 0 HB3 LEU A 114 -18.342 -1.891 -2.823 1.00 0.85 H new ATOM 0 HG LEU A 114 -15.900 -3.180 -3.886 1.00 0.86 H new ATOM 0 HD11 LEU A 114 -14.840 -3.350 -1.662 1.00 0.85 H new ATOM 0 HD12 LEU A 114 -14.889 -1.668 -2.242 1.00 0.85 H new ATOM 0 HD13 LEU A 114 -16.047 -2.218 -1.007 1.00 0.85 H new ATOM 0 HD21 LEU A 114 -16.597 -4.952 -2.320 1.00 0.91 H new ATOM 0 HD22 LEU A 114 -17.871 -3.884 -1.685 1.00 0.91 H new ATOM 0 HD23 LEU A 114 -17.935 -4.439 -3.375 1.00 0.91 H new ATOM 1715 N THR A 115 -16.807 0.169 -6.282 1.00 0.87 N ATOM 1716 CA THR A 115 -15.784 0.904 -6.999 1.00 0.87 C ATOM 1717 C THR A 115 -15.146 1.964 -6.106 1.00 0.80 C ATOM 1718 O THR A 115 -15.821 2.885 -5.642 1.00 0.78 O ATOM 1719 CB THR A 115 -16.381 1.578 -8.247 1.00 0.95 C ATOM 1720 OG1 THR A 115 -17.399 0.740 -8.816 1.00 1.04 O ATOM 1721 CG2 THR A 115 -15.303 1.852 -9.285 1.00 0.99 C ATOM 0 H THR A 115 -17.753 0.529 -6.407 1.00 0.87 H new ATOM 0 HA THR A 115 -15.016 0.193 -7.305 1.00 0.87 H new ATOM 0 HB THR A 115 -16.819 2.529 -7.945 1.00 0.95 H new ATOM 0 HG1 THR A 115 -17.776 1.176 -9.609 1.00 1.04 H new ATOM 0 HG21 THR A 115 -15.750 2.329 -10.157 1.00 0.99 H new ATOM 0 HG22 THR A 115 -14.547 2.512 -8.859 1.00 0.99 H new ATOM 0 HG23 THR A 115 -14.838 0.912 -9.583 1.00 0.99 H new ATOM 1729 N LEU A 116 -13.846 1.834 -5.874 1.00 0.78 N ATOM 1730 CA LEU A 116 -13.117 2.781 -5.041 1.00 0.72 C ATOM 1731 C LEU A 116 -12.148 3.574 -5.903 1.00 0.75 C ATOM 1732 O LEU A 116 -11.350 2.999 -6.637 1.00 0.80 O ATOM 1733 CB LEU A 116 -12.348 2.046 -3.942 1.00 0.69 C ATOM 1734 CG LEU A 116 -13.086 0.860 -3.312 1.00 0.69 C ATOM 1735 CD1 LEU A 116 -12.141 0.044 -2.446 1.00 0.70 C ATOM 1736 CD2 LEU A 116 -14.275 1.338 -2.489 1.00 0.69 C ATOM 0 H LEU A 116 -13.274 1.079 -6.252 1.00 0.78 H new ATOM 0 HA LEU A 116 -13.830 3.460 -4.573 1.00 0.72 H new ATOM 0 HB2 LEU A 116 -11.406 1.688 -4.357 1.00 0.69 H new ATOM 0 HB3 LEU A 116 -12.100 2.759 -3.155 1.00 0.69 H new ATOM 0 HG LEU A 116 -13.458 0.226 -4.117 1.00 0.69 H new ATOM 0 HD11 LEU A 116 -12.682 -0.794 -2.007 1.00 0.70 H new ATOM 0 HD12 LEU A 116 -11.322 -0.334 -3.058 1.00 0.70 H new ATOM 0 HD13 LEU A 116 -11.740 0.674 -1.652 1.00 0.70 H new ATOM 0 HD21 LEU A 116 -14.784 0.479 -2.052 1.00 0.69 H new ATOM 0 HD22 LEU A 116 -13.926 1.997 -1.694 1.00 0.69 H new ATOM 0 HD23 LEU A 116 -14.968 1.881 -3.132 1.00 0.69 H new ATOM 1748 N THR A 117 -12.212 4.887 -5.816 1.00 0.75 N ATOM 1749 CA THR A 117 -11.343 5.733 -6.608 1.00 0.80 C ATOM 1750 C THR A 117 -10.407 6.539 -5.714 1.00 0.76 C ATOM 1751 O THR A 117 -10.825 7.113 -4.705 1.00 0.73 O ATOM 1752 CB THR A 117 -12.170 6.680 -7.495 1.00 0.87 C ATOM 1753 OG1 THR A 117 -13.358 6.007 -7.942 1.00 0.93 O ATOM 1754 CG2 THR A 117 -11.360 7.138 -8.696 1.00 0.94 C ATOM 0 H THR A 117 -12.856 5.391 -5.206 1.00 0.75 H new ATOM 0 HA THR A 117 -10.741 5.089 -7.248 1.00 0.80 H new ATOM 0 HB THR A 117 -12.443 7.556 -6.907 1.00 0.87 H new ATOM 0 HG1 THR A 117 -13.110 5.257 -8.522 1.00 0.93 H new ATOM 0 HG21 THR A 117 -11.964 7.807 -9.309 1.00 0.94 H new ATOM 0 HG22 THR A 117 -10.469 7.665 -8.354 1.00 0.94 H new ATOM 0 HG23 THR A 117 -11.064 6.271 -9.287 1.00 0.94 H new ATOM 1762 N GLY A 118 -9.136 6.562 -6.077 1.00 0.80 N ATOM 1763 CA GLY A 118 -8.164 7.295 -5.302 1.00 0.79 C ATOM 1764 C GLY A 118 -7.985 8.708 -5.805 1.00 0.84 C ATOM 1765 O GLY A 118 -8.386 9.033 -6.920 1.00 0.90 O ATOM 0 H GLY A 118 -8.761 6.085 -6.897 1.00 0.80 H new ATOM 0 HA2 GLY A 118 -8.477 7.319 -4.258 1.00 0.79 H new ATOM 0 HA3 GLY A 118 -7.207 6.775 -5.336 1.00 0.79 H new ATOM 1769 N GLY A 119 -7.411 9.553 -4.968 1.00 0.85 N ATOM 1770 CA GLY A 119 -7.170 10.928 -5.339 1.00 0.91 C ATOM 1771 C GLY A 119 -6.726 11.734 -4.147 1.00 0.92 C ATOM 1772 O GLY A 119 -6.236 11.170 -3.170 1.00 0.88 O ATOM 0 H GLY A 119 -7.104 9.307 -4.027 1.00 0.85 H new ATOM 0 HA2 GLY A 119 -6.408 10.971 -6.117 1.00 0.91 H new ATOM 0 HA3 GLY A 119 -8.078 11.361 -5.758 1.00 0.91 H new ATOM 1776 N TYR A 120 -6.921 13.037 -4.190 1.00 0.97 N ATOM 1777 CA TYR A 120 -6.514 13.873 -3.075 1.00 1.00 C ATOM 1778 C TYR A 120 -7.719 14.483 -2.370 1.00 0.98 C ATOM 1779 O TYR A 120 -8.867 14.326 -2.815 1.00 0.96 O ATOM 1780 CB TYR A 120 -5.526 14.958 -3.520 1.00 1.09 C ATOM 1781 CG TYR A 120 -6.062 15.968 -4.516 1.00 1.15 C ATOM 1782 CD1 TYR A 120 -6.634 17.158 -4.084 1.00 1.20 C ATOM 1783 CD2 TYR A 120 -5.965 15.747 -5.885 1.00 1.22 C ATOM 1784 CE1 TYR A 120 -7.093 18.098 -4.984 1.00 1.29 C ATOM 1785 CE2 TYR A 120 -6.427 16.682 -6.792 1.00 1.31 C ATOM 1786 CZ TYR A 120 -6.988 17.855 -6.337 1.00 1.34 C ATOM 1787 OH TYR A 120 -7.436 18.796 -7.237 1.00 1.46 O ATOM 0 H TYR A 120 -7.351 13.535 -4.970 1.00 0.97 H new ATOM 0 HA TYR A 120 -6.000 13.232 -2.358 1.00 1.00 H new ATOM 0 HB2 TYR A 120 -5.182 15.495 -2.636 1.00 1.09 H new ATOM 0 HB3 TYR A 120 -4.654 14.472 -3.957 1.00 1.09 H new ATOM 0 HD1 TYR A 120 -6.721 17.351 -3.025 1.00 1.20 H new ATOM 0 HD2 TYR A 120 -5.522 14.830 -6.245 1.00 1.22 H new ATOM 0 HE1 TYR A 120 -7.532 19.019 -4.630 1.00 1.29 H new ATOM 0 HE2 TYR A 120 -6.349 16.494 -7.853 1.00 1.31 H new ATOM 0 HH TYR A 120 -7.289 18.472 -8.150 1.00 1.46 H new ATOM 1797 N TRP A 121 -7.446 15.141 -1.254 1.00 1.00 N ATOM 1798 CA TRP A 121 -8.466 15.780 -0.441 1.00 1.01 C ATOM 1799 C TRP A 121 -8.020 17.196 -0.076 1.00 1.10 C ATOM 1800 O TRP A 121 -6.826 17.450 0.091 1.00 1.15 O ATOM 1801 CB TRP A 121 -8.700 14.930 0.815 1.00 0.95 C ATOM 1802 CG TRP A 121 -9.521 15.586 1.882 1.00 0.97 C ATOM 1803 CD1 TRP A 121 -9.074 16.428 2.855 1.00 1.03 C ATOM 1804 CD2 TRP A 121 -10.924 15.430 2.100 1.00 0.95 C ATOM 1805 NE1 TRP A 121 -10.115 16.820 3.652 1.00 1.04 N ATOM 1806 CE2 TRP A 121 -11.263 16.219 3.212 1.00 1.00 C ATOM 1807 CE3 TRP A 121 -11.929 14.703 1.458 1.00 0.92 C ATOM 1808 CZ2 TRP A 121 -12.567 16.302 3.696 1.00 1.01 C ATOM 1809 CZ3 TRP A 121 -13.221 14.785 1.941 1.00 0.94 C ATOM 1810 CH2 TRP A 121 -13.529 15.580 3.051 1.00 0.98 C ATOM 0 H TRP A 121 -6.501 15.247 -0.885 1.00 1.00 H new ATOM 0 HA TRP A 121 -9.402 15.855 -0.994 1.00 1.01 H new ATOM 0 HB2 TRP A 121 -9.190 14.002 0.521 1.00 0.95 H new ATOM 0 HB3 TRP A 121 -7.732 14.660 1.237 1.00 0.95 H new ATOM 0 HD1 TRP A 121 -8.048 16.741 2.979 1.00 1.03 H new ATOM 0 HE1 TRP A 121 -10.046 17.457 4.446 1.00 1.04 H new ATOM 0 HE3 TRP A 121 -11.701 14.088 0.600 1.00 0.92 H new ATOM 0 HZ2 TRP A 121 -12.808 16.916 4.551 1.00 1.01 H new ATOM 0 HZ3 TRP A 121 -14.006 14.226 1.454 1.00 0.94 H new ATOM 0 HH2 TRP A 121 -14.549 15.623 3.404 1.00 0.98 H new ATOM 1821 N ALA A 122 -8.978 18.109 0.031 1.00 1.14 N ATOM 1822 CA ALA A 122 -8.688 19.494 0.370 1.00 1.23 C ATOM 1823 C ALA A 122 -9.347 19.897 1.690 1.00 1.23 C ATOM 1824 O ALA A 122 -10.540 19.650 1.904 1.00 1.21 O ATOM 1825 CB ALA A 122 -9.143 20.409 -0.758 1.00 1.30 C ATOM 0 H ALA A 122 -9.968 17.912 -0.113 1.00 1.14 H new ATOM 0 HA ALA A 122 -7.610 19.595 0.499 1.00 1.23 H new ATOM 0 HB1 ALA A 122 -8.923 21.444 -0.498 1.00 1.30 H new ATOM 0 HB2 ALA A 122 -8.616 20.146 -1.675 1.00 1.30 H new ATOM 0 HB3 ALA A 122 -10.216 20.293 -0.910 1.00 1.30 H new ATOM 1831 N LYS A 123 -8.554 20.525 2.557 1.00 1.29 N ATOM 1832 CA LYS A 123 -9.001 20.993 3.872 1.00 1.32 C ATOM 1833 C LYS A 123 -9.539 19.842 4.727 1.00 1.26 C ATOM 1834 O LYS A 123 -8.803 18.907 5.046 1.00 1.22 O ATOM 1835 CB LYS A 123 -10.047 22.109 3.745 1.00 1.37 C ATOM 1836 CG LYS A 123 -10.163 22.969 4.995 1.00 1.46 C ATOM 1837 CD LYS A 123 -11.545 23.587 5.130 1.00 1.50 C ATOM 1838 CE LYS A 123 -11.625 24.521 6.327 1.00 1.60 C ATOM 1839 NZ LYS A 123 -11.366 23.817 7.614 1.00 1.63 N ATOM 0 H LYS A 123 -7.572 20.726 2.366 1.00 1.29 H new ATOM 0 HA LYS A 123 -8.128 21.405 4.378 1.00 1.32 H new ATOM 0 HB2 LYS A 123 -9.789 22.744 2.898 1.00 1.37 H new ATOM 0 HB3 LYS A 123 -11.018 21.665 3.527 1.00 1.37 H new ATOM 0 HG2 LYS A 123 -9.949 22.362 5.875 1.00 1.46 H new ATOM 0 HG3 LYS A 123 -9.413 23.759 4.963 1.00 1.46 H new ATOM 0 HD2 LYS A 123 -11.789 24.137 4.221 1.00 1.50 H new ATOM 0 HD3 LYS A 123 -12.289 22.797 5.233 1.00 1.50 H new ATOM 0 HE2 LYS A 123 -10.901 25.327 6.205 1.00 1.60 H new ATOM 0 HE3 LYS A 123 -12.612 24.981 6.360 1.00 1.60 H new ATOM 0 HZ1 LYS A 123 -12.120 24.046 8.293 1.00 1.63 H new ATOM 0 HZ2 LYS A 123 -11.348 22.790 7.450 1.00 1.63 H new ATOM 0 HZ3 LYS A 123 -10.449 24.123 7.999 1.00 1.63 H new ATOM 1853 N ASP A 124 -10.818 19.912 5.095 1.00 1.26 N ATOM 1854 CA ASP A 124 -11.450 18.891 5.924 1.00 1.22 C ATOM 1855 C ASP A 124 -12.936 19.179 6.079 1.00 1.25 C ATOM 1856 O ASP A 124 -13.348 20.339 6.016 1.00 1.33 O ATOM 1857 CB ASP A 124 -10.800 18.846 7.311 1.00 1.27 C ATOM 1858 CG ASP A 124 -11.279 19.969 8.212 1.00 1.36 C ATOM 1859 OD1 ASP A 124 -11.969 19.679 9.211 1.00 1.40 O ATOM 1860 OD2 ASP A 124 -10.976 21.148 7.922 1.00 1.44 O ATOM 0 H ASP A 124 -11.441 20.674 4.828 1.00 1.26 H new ATOM 0 HA ASP A 124 -11.316 17.928 5.432 1.00 1.22 H new ATOM 0 HB2 ASP A 124 -11.020 17.888 7.781 1.00 1.27 H new ATOM 0 HB3 ASP A 124 -9.717 18.907 7.204 1.00 1.27 H new ATOM 1865 N ASN A 125 -13.725 18.112 6.241 1.00 1.20 N ATOM 1866 CA ASN A 125 -15.187 18.188 6.444 1.00 1.23 C ATOM 1867 C ASN A 125 -15.964 18.751 5.245 1.00 1.25 C ATOM 1868 O ASN A 125 -17.068 18.294 4.953 1.00 1.27 O ATOM 1869 CB ASN A 125 -15.513 19.006 7.698 1.00 1.34 C ATOM 1870 CG ASN A 125 -15.503 18.166 8.959 1.00 1.38 C ATOM 1871 OD1 ASN A 125 -16.509 17.551 9.314 1.00 1.46 O ATOM 1872 ND2 ASN A 125 -14.371 18.142 9.649 1.00 1.37 N ATOM 0 H ASN A 125 -13.368 17.157 6.236 1.00 1.20 H new ATOM 0 HA ASN A 125 -15.516 17.156 6.565 1.00 1.23 H new ATOM 0 HB2 ASN A 125 -14.789 19.815 7.798 1.00 1.34 H new ATOM 0 HB3 ASN A 125 -16.493 19.468 7.581 1.00 1.34 H new ATOM 0 HD21 ASN A 125 -14.310 17.599 10.510 1.00 1.37 H new ATOM 0 HD22 ASN A 125 -13.561 18.667 9.318 1.00 1.37 H new ATOM 1879 N LYS A 126 -15.393 19.730 4.557 1.00 1.28 N ATOM 1880 CA LYS A 126 -16.042 20.374 3.414 1.00 1.32 C ATOM 1881 C LYS A 126 -16.268 19.416 2.240 1.00 1.24 C ATOM 1882 O LYS A 126 -17.000 19.744 1.309 1.00 1.28 O ATOM 1883 CB LYS A 126 -15.239 21.600 2.963 1.00 1.38 C ATOM 1884 CG LYS A 126 -13.966 21.277 2.196 1.00 1.33 C ATOM 1885 CD LYS A 126 -13.313 22.546 1.670 1.00 1.42 C ATOM 1886 CE LYS A 126 -12.097 22.252 0.809 1.00 1.49 C ATOM 1887 NZ LYS A 126 -11.415 23.500 0.368 1.00 1.58 N ATOM 0 H LYS A 126 -14.468 20.103 4.772 1.00 1.28 H new ATOM 0 HA LYS A 126 -17.028 20.694 3.750 1.00 1.32 H new ATOM 0 HB2 LYS A 126 -15.876 22.225 2.337 1.00 1.38 H new ATOM 0 HB3 LYS A 126 -14.978 22.190 3.841 1.00 1.38 H new ATOM 0 HG2 LYS A 126 -13.270 20.747 2.846 1.00 1.33 H new ATOM 0 HG3 LYS A 126 -14.196 20.610 1.365 1.00 1.33 H new ATOM 0 HD2 LYS A 126 -14.040 23.112 1.088 1.00 1.42 H new ATOM 0 HD3 LYS A 126 -13.018 23.175 2.510 1.00 1.42 H new ATOM 0 HE2 LYS A 126 -11.396 21.634 1.370 1.00 1.49 H new ATOM 0 HE3 LYS A 126 -12.401 21.676 -0.065 1.00 1.49 H new ATOM 0 HZ1 LYS A 126 -10.590 23.257 -0.217 1.00 1.58 H new ATOM 0 HZ2 LYS A 126 -12.076 24.079 -0.189 1.00 1.58 H new ATOM 0 HZ3 LYS A 126 -11.102 24.037 1.201 1.00 1.58 H new ATOM 1901 N GLN A 127 -15.618 18.253 2.284 1.00 1.15 N ATOM 1902 CA GLN A 127 -15.746 17.233 1.237 1.00 1.09 C ATOM 1903 C GLN A 127 -15.104 17.676 -0.074 1.00 1.11 C ATOM 1904 O GLN A 127 -15.629 17.415 -1.158 1.00 1.13 O ATOM 1905 CB GLN A 127 -17.213 16.853 1.003 1.00 1.12 C ATOM 1906 CG GLN A 127 -17.724 15.789 1.959 1.00 1.16 C ATOM 1907 CD GLN A 127 -19.095 15.269 1.571 1.00 1.21 C ATOM 1908 OE1 GLN A 127 -19.215 14.317 0.800 1.00 1.27 O ATOM 1909 NE2 GLN A 127 -20.136 15.888 2.100 1.00 1.40 N ATOM 0 H GLN A 127 -14.989 17.990 3.043 1.00 1.15 H new ATOM 0 HA GLN A 127 -15.211 16.353 1.593 1.00 1.09 H new ATOM 0 HB2 GLN A 127 -17.831 17.745 1.101 1.00 1.12 H new ATOM 0 HB3 GLN A 127 -17.329 16.496 -0.020 1.00 1.12 H new ATOM 0 HG2 GLN A 127 -17.018 14.959 1.984 1.00 1.16 H new ATOM 0 HG3 GLN A 127 -17.767 16.202 2.967 1.00 1.16 H new ATOM 0 HE21 GLN A 127 -19.994 16.673 2.735 1.00 1.40 H new ATOM 0 HE22 GLN A 127 -21.082 15.580 1.873 1.00 1.40 H new ATOM 1918 N GLY A 128 -13.961 18.332 0.025 1.00 1.13 N ATOM 1919 CA GLY A 128 -13.260 18.766 -1.164 1.00 1.16 C ATOM 1920 C GLY A 128 -12.356 17.669 -1.687 1.00 1.09 C ATOM 1921 O GLY A 128 -11.135 17.764 -1.597 1.00 1.11 O ATOM 0 H GLY A 128 -13.506 18.572 0.906 1.00 1.13 H new ATOM 0 HA2 GLY A 128 -13.979 19.048 -1.933 1.00 1.16 H new ATOM 0 HA3 GLY A 128 -12.669 19.654 -0.939 1.00 1.16 H new ATOM 1925 N PHE A 129 -12.957 16.614 -2.215 1.00 1.05 N ATOM 1926 CA PHE A 129 -12.193 15.487 -2.726 1.00 0.99 C ATOM 1927 C PHE A 129 -12.180 15.461 -4.248 1.00 1.03 C ATOM 1928 O PHE A 129 -13.149 15.852 -4.898 1.00 1.08 O ATOM 1929 CB PHE A 129 -12.749 14.167 -2.176 1.00 0.91 C ATOM 1930 CG PHE A 129 -14.193 13.898 -2.517 1.00 0.92 C ATOM 1931 CD1 PHE A 129 -15.208 14.308 -1.666 1.00 0.94 C ATOM 1932 CD2 PHE A 129 -14.534 13.223 -3.679 1.00 0.93 C ATOM 1933 CE1 PHE A 129 -16.533 14.051 -1.969 1.00 0.97 C ATOM 1934 CE2 PHE A 129 -15.855 12.966 -3.987 1.00 0.96 C ATOM 1935 CZ PHE A 129 -16.856 13.380 -3.131 1.00 0.98 C ATOM 0 H PHE A 129 -13.969 16.515 -2.301 1.00 1.05 H new ATOM 0 HA PHE A 129 -11.164 15.607 -2.387 1.00 0.99 H new ATOM 0 HB2 PHE A 129 -12.141 13.346 -2.557 1.00 0.91 H new ATOM 0 HB3 PHE A 129 -12.640 14.167 -1.091 1.00 0.91 H new ATOM 0 HD1 PHE A 129 -14.961 14.834 -0.756 1.00 0.94 H new ATOM 0 HD2 PHE A 129 -13.756 12.894 -4.352 1.00 0.93 H new ATOM 0 HE1 PHE A 129 -17.314 14.375 -1.297 1.00 0.97 H new ATOM 0 HE2 PHE A 129 -16.105 12.441 -4.897 1.00 0.96 H new ATOM 0 HZ PHE A 129 -17.890 13.179 -3.370 1.00 0.98 H new ATOM 1945 N THR A 130 -11.070 15.012 -4.807 1.00 1.03 N ATOM 1946 CA THR A 130 -10.928 14.910 -6.251 1.00 1.08 C ATOM 1947 C THR A 130 -10.239 13.595 -6.612 1.00 1.03 C ATOM 1948 O THR A 130 -9.105 13.350 -6.190 1.00 1.01 O ATOM 1949 CB THR A 130 -10.125 16.099 -6.814 1.00 1.17 C ATOM 1950 OG1 THR A 130 -10.632 17.323 -6.268 1.00 1.26 O ATOM 1951 CG2 THR A 130 -10.204 16.145 -8.333 1.00 1.25 C ATOM 0 H THR A 130 -10.250 14.711 -4.281 1.00 1.03 H new ATOM 0 HA THR A 130 -11.923 14.932 -6.696 1.00 1.08 H new ATOM 0 HB THR A 130 -9.080 15.972 -6.530 1.00 1.17 H new ATOM 0 HG1 THR A 130 -10.119 18.078 -6.626 1.00 1.26 H new ATOM 0 HG21 THR A 130 -9.628 16.994 -8.702 1.00 1.25 H new ATOM 0 HG22 THR A 130 -9.796 15.223 -8.747 1.00 1.25 H new ATOM 0 HG23 THR A 130 -11.244 16.251 -8.640 1.00 1.25 H new ATOM 1959 N PRO A 131 -10.940 12.705 -7.341 1.00 1.02 N ATOM 1960 CA PRO A 131 -10.391 11.409 -7.744 1.00 0.99 C ATOM 1961 C PRO A 131 -9.443 11.518 -8.935 1.00 1.06 C ATOM 1962 O PRO A 131 -9.869 11.714 -10.072 1.00 1.13 O ATOM 1963 CB PRO A 131 -11.637 10.609 -8.119 1.00 1.00 C ATOM 1964 CG PRO A 131 -12.624 11.627 -8.580 1.00 1.13 C ATOM 1965 CD PRO A 131 -12.323 12.896 -7.825 1.00 1.06 C ATOM 0 HA PRO A 131 -9.792 10.954 -6.955 1.00 0.99 H new ATOM 0 HB2 PRO A 131 -11.420 9.885 -8.905 1.00 1.00 H new ATOM 0 HB3 PRO A 131 -12.018 10.048 -7.265 1.00 1.00 H new ATOM 0 HG2 PRO A 131 -12.541 11.787 -9.655 1.00 1.13 H new ATOM 0 HG3 PRO A 131 -13.643 11.294 -8.385 1.00 1.13 H new ATOM 0 HD2 PRO A 131 -12.403 13.772 -8.469 1.00 1.06 H new ATOM 0 HD3 PRO A 131 -13.018 13.043 -6.999 1.00 1.06 H new ATOM 1973 N SER A 132 -8.159 11.396 -8.658 1.00 1.05 N ATOM 1974 CA SER A 132 -7.141 11.475 -9.685 1.00 1.12 C ATOM 1975 C SER A 132 -6.260 10.228 -9.666 1.00 1.10 C ATOM 1976 O SER A 132 -5.693 9.873 -8.630 1.00 1.05 O ATOM 1977 CB SER A 132 -6.300 12.734 -9.475 1.00 1.18 C ATOM 1978 OG SER A 132 -6.297 13.116 -8.108 1.00 1.13 O ATOM 0 H SER A 132 -7.794 11.240 -7.718 1.00 1.05 H new ATOM 0 HA SER A 132 -7.623 11.529 -10.661 1.00 1.12 H new ATOM 0 HB2 SER A 132 -5.278 12.554 -9.809 1.00 1.18 H new ATOM 0 HB3 SER A 132 -6.696 13.547 -10.084 1.00 1.18 H new ATOM 0 HG SER A 132 -5.542 12.690 -7.651 1.00 1.13 H new ATOM 1984 N GLY A 133 -6.158 9.555 -10.801 1.00 1.15 N ATOM 1985 CA GLY A 133 -5.338 8.368 -10.882 1.00 1.14 C ATOM 1986 C GLY A 133 -6.095 7.191 -11.449 1.00 1.14 C ATOM 1987 O GLY A 133 -6.698 7.286 -12.519 1.00 1.24 O ATOM 0 H GLY A 133 -6.630 9.811 -11.668 1.00 1.15 H new ATOM 0 HA2 GLY A 133 -4.467 8.572 -11.505 1.00 1.14 H new ATOM 0 HA3 GLY A 133 -4.968 8.115 -9.888 1.00 1.14 H new ATOM 1991 N THR A 134 -6.084 6.088 -10.726 1.00 1.07 N ATOM 1992 CA THR A 134 -6.761 4.884 -11.169 1.00 1.08 C ATOM 1993 C THR A 134 -7.888 4.515 -10.217 1.00 1.00 C ATOM 1994 O THR A 134 -7.792 4.740 -9.008 1.00 0.94 O ATOM 1995 CB THR A 134 -5.778 3.702 -11.257 1.00 1.12 C ATOM 1996 OG1 THR A 134 -4.440 4.197 -11.391 1.00 1.33 O ATOM 1997 CG2 THR A 134 -6.112 2.803 -12.439 1.00 1.26 C ATOM 0 H THR A 134 -5.612 6.000 -9.826 1.00 1.07 H new ATOM 0 HA THR A 134 -7.173 5.088 -12.158 1.00 1.08 H new ATOM 0 HB THR A 134 -5.863 3.115 -10.343 1.00 1.12 H new ATOM 0 HG1 THR A 134 -3.866 3.493 -11.758 1.00 1.33 H new ATOM 0 HG21 THR A 134 -5.403 1.976 -12.479 1.00 1.26 H new ATOM 0 HG22 THR A 134 -7.122 2.410 -12.323 1.00 1.26 H new ATOM 0 HG23 THR A 134 -6.050 3.378 -13.363 1.00 1.26 H new ATOM 2005 N THR A 135 -8.952 3.953 -10.763 1.00 1.03 N ATOM 2006 CA THR A 135 -10.077 3.530 -9.959 1.00 0.98 C ATOM 2007 C THR A 135 -10.028 2.011 -9.812 1.00 0.99 C ATOM 2008 O THR A 135 -9.723 1.294 -10.769 1.00 1.06 O ATOM 2009 CB THR A 135 -11.430 3.989 -10.567 1.00 1.02 C ATOM 2010 OG1 THR A 135 -12.476 3.878 -9.593 1.00 1.01 O ATOM 2011 CG2 THR A 135 -11.797 3.181 -11.805 1.00 1.11 C ATOM 0 H THR A 135 -9.057 3.780 -11.763 1.00 1.03 H new ATOM 0 HA THR A 135 -10.006 3.999 -8.978 1.00 0.98 H new ATOM 0 HB THR A 135 -11.316 5.031 -10.865 1.00 1.02 H new ATOM 0 HG1 THR A 135 -12.095 3.598 -8.735 1.00 1.01 H new ATOM 0 HG21 THR A 135 -12.750 3.533 -12.200 1.00 1.11 H new ATOM 0 HG22 THR A 135 -11.023 3.304 -12.562 1.00 1.11 H new ATOM 0 HG23 THR A 135 -11.881 2.127 -11.540 1.00 1.11 H new ATOM 2019 N GLY A 136 -10.273 1.528 -8.607 1.00 0.94 N ATOM 2020 CA GLY A 136 -10.231 0.107 -8.361 1.00 0.96 C ATOM 2021 C GLY A 136 -11.583 -0.449 -7.994 1.00 0.94 C ATOM 2022 O GLY A 136 -12.162 -0.083 -6.970 1.00 0.88 O ATOM 0 H GLY A 136 -10.501 2.098 -7.792 1.00 0.94 H new ATOM 0 HA2 GLY A 136 -9.860 -0.403 -9.250 1.00 0.96 H new ATOM 0 HA3 GLY A 136 -9.525 -0.100 -7.557 1.00 0.96 H new ATOM 2026 N THR A 137 -12.094 -1.328 -8.828 1.00 1.01 N ATOM 2027 CA THR A 137 -13.379 -1.935 -8.583 1.00 1.01 C ATOM 2028 C THR A 137 -13.194 -3.239 -7.823 1.00 1.02 C ATOM 2029 O THR A 137 -12.695 -4.227 -8.367 1.00 1.08 O ATOM 2030 CB THR A 137 -14.122 -2.201 -9.902 1.00 1.10 C ATOM 2031 OG1 THR A 137 -13.661 -1.286 -10.904 1.00 1.13 O ATOM 2032 CG2 THR A 137 -15.623 -2.050 -9.725 1.00 1.14 C ATOM 0 H THR A 137 -11.635 -1.638 -9.685 1.00 1.01 H new ATOM 0 HA THR A 137 -13.977 -1.246 -7.986 1.00 1.01 H new ATOM 0 HB THR A 137 -13.916 -3.226 -10.212 1.00 1.10 H new ATOM 0 HG1 THR A 137 -12.853 -1.644 -11.327 1.00 1.13 H new ATOM 0 HG21 THR A 137 -16.123 -2.244 -10.674 1.00 1.14 H new ATOM 0 HG22 THR A 137 -15.975 -2.761 -8.978 1.00 1.14 H new ATOM 0 HG23 THR A 137 -15.850 -1.036 -9.396 1.00 1.14 H new ATOM 2040 N THR A 138 -13.575 -3.235 -6.561 1.00 0.96 N ATOM 2041 CA THR A 138 -13.449 -4.415 -5.739 1.00 0.98 C ATOM 2042 C THR A 138 -14.738 -5.214 -5.800 1.00 1.02 C ATOM 2043 O THR A 138 -15.826 -4.682 -5.569 1.00 1.00 O ATOM 2044 CB THR A 138 -13.129 -4.047 -4.280 1.00 0.92 C ATOM 2045 OG1 THR A 138 -12.095 -3.058 -4.248 1.00 0.90 O ATOM 2046 CG2 THR A 138 -12.689 -5.271 -3.489 1.00 0.99 C ATOM 0 H THR A 138 -13.974 -2.426 -6.085 1.00 0.96 H new ATOM 0 HA THR A 138 -12.624 -5.015 -6.123 1.00 0.98 H new ATOM 0 HB THR A 138 -14.035 -3.650 -3.822 1.00 0.92 H new ATOM 0 HG1 THR A 138 -11.895 -2.824 -3.318 1.00 0.90 H new ATOM 0 HG21 THR A 138 -12.469 -4.981 -2.462 1.00 0.99 H new ATOM 0 HG22 THR A 138 -13.487 -6.013 -3.494 1.00 0.99 H new ATOM 0 HG23 THR A 138 -11.795 -5.697 -3.945 1.00 0.99 H new ATOM 2054 N LYS A 139 -14.618 -6.477 -6.153 1.00 1.10 N ATOM 2055 CA LYS A 139 -15.775 -7.337 -6.260 1.00 1.15 C ATOM 2056 C LYS A 139 -15.790 -8.352 -5.125 1.00 1.17 C ATOM 2057 O LYS A 139 -14.821 -9.087 -4.911 1.00 1.20 O ATOM 2058 CB LYS A 139 -15.783 -8.046 -7.617 1.00 1.23 C ATOM 2059 CG LYS A 139 -16.940 -9.015 -7.797 1.00 1.30 C ATOM 2060 CD LYS A 139 -18.248 -8.291 -8.076 1.00 1.30 C ATOM 2061 CE LYS A 139 -18.369 -7.892 -9.539 1.00 1.37 C ATOM 2062 NZ LYS A 139 -19.782 -7.644 -9.930 1.00 1.45 N ATOM 0 H LYS A 139 -13.730 -6.930 -6.370 1.00 1.10 H new ATOM 0 HA LYS A 139 -16.674 -6.725 -6.183 1.00 1.15 H new ATOM 0 HB2 LYS A 139 -15.823 -7.297 -8.408 1.00 1.23 H new ATOM 0 HB3 LYS A 139 -14.845 -8.588 -7.739 1.00 1.23 H new ATOM 0 HG2 LYS A 139 -16.719 -9.695 -8.619 1.00 1.30 H new ATOM 0 HG3 LYS A 139 -17.046 -9.624 -6.899 1.00 1.30 H new ATOM 0 HD2 LYS A 139 -19.085 -8.934 -7.804 1.00 1.30 H new ATOM 0 HD3 LYS A 139 -18.312 -7.401 -7.450 1.00 1.30 H new ATOM 0 HE2 LYS A 139 -17.779 -6.994 -9.720 1.00 1.37 H new ATOM 0 HE3 LYS A 139 -17.951 -8.680 -10.166 1.00 1.37 H new ATOM 0 HZ1 LYS A 139 -19.826 -7.408 -10.942 1.00 1.45 H new ATOM 0 HZ2 LYS A 139 -20.347 -8.498 -9.749 1.00 1.45 H new ATOM 0 HZ3 LYS A 139 -20.163 -6.852 -9.373 1.00 1.45 H new ATOM 2076 N LEU A 140 -16.893 -8.376 -4.403 1.00 1.17 N ATOM 2077 CA LEU A 140 -17.073 -9.298 -3.300 1.00 1.20 C ATOM 2078 C LEU A 140 -17.966 -10.442 -3.753 1.00 1.28 C ATOM 2079 O LEU A 140 -19.162 -10.253 -3.982 1.00 1.30 O ATOM 2080 CB LEU A 140 -17.690 -8.569 -2.104 1.00 1.17 C ATOM 2081 CG LEU A 140 -18.031 -9.445 -0.895 1.00 1.26 C ATOM 2082 CD1 LEU A 140 -16.765 -9.977 -0.250 1.00 1.36 C ATOM 2083 CD2 LEU A 140 -18.851 -8.662 0.119 1.00 1.30 C ATOM 0 H LEU A 140 -17.688 -7.758 -4.564 1.00 1.17 H new ATOM 0 HA LEU A 140 -16.108 -9.699 -2.990 1.00 1.20 H new ATOM 0 HB2 LEU A 140 -16.999 -7.790 -1.781 1.00 1.17 H new ATOM 0 HB3 LEU A 140 -18.601 -8.070 -2.436 1.00 1.17 H new ATOM 0 HG LEU A 140 -18.626 -10.290 -1.242 1.00 1.26 H new ATOM 0 HD11 LEU A 140 -17.026 -10.597 0.607 1.00 1.36 H new ATOM 0 HD12 LEU A 140 -16.211 -10.574 -0.974 1.00 1.36 H new ATOM 0 HD13 LEU A 140 -16.147 -9.142 0.081 1.00 1.36 H new ATOM 0 HD21 LEU A 140 -19.083 -9.301 0.971 1.00 1.30 H new ATOM 0 HD22 LEU A 140 -18.280 -7.798 0.459 1.00 1.30 H new ATOM 0 HD23 LEU A 140 -19.778 -8.325 -0.345 1.00 1.30 H new ATOM 2095 N THR A 141 -17.378 -11.613 -3.917 1.00 1.34 N ATOM 2096 CA THR A 141 -18.123 -12.777 -4.357 1.00 1.43 C ATOM 2097 C THR A 141 -18.089 -13.864 -3.293 1.00 1.47 C ATOM 2098 O THR A 141 -17.043 -14.131 -2.709 1.00 1.47 O ATOM 2099 CB THR A 141 -17.547 -13.330 -5.674 1.00 1.49 C ATOM 2100 OG1 THR A 141 -17.205 -12.242 -6.545 1.00 1.45 O ATOM 2101 CG2 THR A 141 -18.546 -14.243 -6.369 1.00 1.60 C ATOM 0 H THR A 141 -16.386 -11.783 -3.752 1.00 1.34 H new ATOM 0 HA THR A 141 -19.155 -12.470 -4.524 1.00 1.43 H new ATOM 0 HB THR A 141 -16.656 -13.912 -5.439 1.00 1.49 H new ATOM 0 HG1 THR A 141 -16.837 -12.596 -7.382 1.00 1.45 H new ATOM 0 HG21 THR A 141 -18.112 -14.619 -7.296 1.00 1.60 H new ATOM 0 HG22 THR A 141 -18.788 -15.081 -5.716 1.00 1.60 H new ATOM 0 HG23 THR A 141 -19.454 -13.684 -6.594 1.00 1.60 H new ATOM 2109 N VAL A 142 -19.235 -14.456 -3.006 1.00 1.53 N ATOM 2110 CA VAL A 142 -19.297 -15.516 -2.018 1.00 1.58 C ATOM 2111 C VAL A 142 -19.129 -16.876 -2.695 1.00 1.67 C ATOM 2112 O VAL A 142 -19.816 -17.192 -3.671 1.00 1.71 O ATOM 2113 CB VAL A 142 -20.613 -15.478 -1.203 1.00 1.61 C ATOM 2114 CG1 VAL A 142 -21.830 -15.616 -2.104 1.00 1.67 C ATOM 2115 CG2 VAL A 142 -20.609 -16.558 -0.132 1.00 1.69 C ATOM 0 H VAL A 142 -20.128 -14.223 -3.440 1.00 1.53 H new ATOM 0 HA VAL A 142 -18.478 -15.358 -1.316 1.00 1.58 H new ATOM 0 HB VAL A 142 -20.674 -14.506 -0.714 1.00 1.61 H new ATOM 0 HG11 VAL A 142 -22.736 -15.585 -1.499 1.00 1.67 H new ATOM 0 HG12 VAL A 142 -21.846 -14.797 -2.823 1.00 1.67 H new ATOM 0 HG13 VAL A 142 -21.782 -16.565 -2.637 1.00 1.67 H new ATOM 0 HG21 VAL A 142 -21.542 -16.516 0.431 1.00 1.69 H new ATOM 0 HG22 VAL A 142 -20.513 -17.537 -0.602 1.00 1.69 H new ATOM 0 HG23 VAL A 142 -19.770 -16.397 0.544 1.00 1.69 H new ATOM 2125 N THR A 143 -18.176 -17.652 -2.210 1.00 1.72 N ATOM 2126 CA THR A 143 -17.912 -18.974 -2.755 1.00 1.82 C ATOM 2127 C THR A 143 -17.383 -19.892 -1.655 1.00 1.91 C ATOM 2128 O THR A 143 -16.157 -19.897 -1.415 1.00 1.94 O ATOM 2129 CB THR A 143 -16.901 -18.916 -3.924 1.00 1.83 C ATOM 2130 OG1 THR A 143 -17.224 -17.825 -4.800 1.00 1.78 O ATOM 2131 CG2 THR A 143 -16.909 -20.215 -4.715 1.00 1.94 C ATOM 2132 OXT THR A 143 -18.203 -20.575 -1.005 1.00 2.03 O ATOM 0 H THR A 143 -17.568 -17.388 -1.435 1.00 1.72 H new ATOM 0 HA THR A 143 -18.850 -19.370 -3.144 1.00 1.82 H new ATOM 0 HB THR A 143 -15.907 -18.768 -3.503 1.00 1.83 H new ATOM 0 HG1 THR A 143 -16.578 -17.795 -5.536 1.00 1.78 H new ATOM 0 HG21 THR A 143 -16.190 -20.148 -5.531 1.00 1.94 H new ATOM 0 HG22 THR A 143 -16.638 -21.042 -4.059 1.00 1.94 H new ATOM 0 HG23 THR A 143 -17.905 -20.387 -5.123 1.00 1.94 H new TER 2140 THR A 143 ATOM 2141 N LYS N 1 13.654 -19.146 5.715 1.00 2.75 N ATOM 2142 CA LYS N 1 12.995 -17.826 5.849 1.00 2.61 C ATOM 2143 C LYS N 1 13.669 -16.809 4.936 1.00 2.43 C ATOM 2144 O LYS N 1 14.867 -16.915 4.663 1.00 2.46 O ATOM 2145 CB LYS N 1 13.058 -17.350 7.309 1.00 2.73 C ATOM 2146 CG LYS N 1 12.308 -16.050 7.574 1.00 2.66 C ATOM 2147 CD LYS N 1 12.072 -15.825 9.063 1.00 2.82 C ATOM 2148 CE LYS N 1 13.370 -15.572 9.819 1.00 3.00 C ATOM 2149 NZ LYS N 1 14.026 -14.304 9.405 1.00 3.18 N ATOM 0 H1 LYS N 1 13.884 -19.517 6.659 1.00 2.75 H new ATOM 0 H2 LYS N 1 13.013 -19.806 5.231 1.00 2.75 H new ATOM 0 H3 LYS N 1 14.528 -19.043 5.161 1.00 2.75 H new ATOM 0 HA LYS N 1 11.950 -17.923 5.556 1.00 2.61 H new ATOM 0 HB2 LYS N 1 12.650 -18.130 7.952 1.00 2.73 H new ATOM 0 HB3 LYS N 1 14.102 -17.218 7.592 1.00 2.73 H new ATOM 0 HG2 LYS N 1 12.875 -15.214 7.166 1.00 2.66 H new ATOM 0 HG3 LYS N 1 11.351 -16.070 7.053 1.00 2.66 H new ATOM 0 HD2 LYS N 1 11.403 -14.975 9.199 1.00 2.82 H new ATOM 0 HD3 LYS N 1 11.571 -16.696 9.486 1.00 2.82 H new ATOM 0 HE2 LYS N 1 13.164 -15.540 10.889 1.00 3.00 H new ATOM 0 HE3 LYS N 1 14.054 -16.404 9.651 1.00 3.00 H new ATOM 0 HZ1 LYS N 1 14.785 -14.071 10.076 1.00 3.18 H new ATOM 0 HZ2 LYS N 1 14.428 -14.416 8.453 1.00 3.18 H new ATOM 0 HZ3 LYS N 1 13.324 -13.537 9.396 1.00 3.18 H new ATOM 2165 N LEU N 2 12.886 -15.845 4.453 1.00 2.28 N ATOM 2166 CA LEU N 2 13.391 -14.793 3.577 1.00 2.11 C ATOM 2167 C LEU N 2 14.588 -14.108 4.228 1.00 2.14 C ATOM 2168 O LEU N 2 14.486 -13.597 5.342 1.00 2.20 O ATOM 2169 CB LEU N 2 12.287 -13.769 3.297 1.00 1.97 C ATOM 2170 CG LEU N 2 12.601 -12.743 2.204 1.00 1.81 C ATOM 2171 CD1 LEU N 2 12.596 -13.399 0.833 1.00 1.81 C ATOM 2172 CD2 LEU N 2 11.602 -11.602 2.250 1.00 1.61 C ATOM 0 H LEU N 2 11.889 -15.773 4.658 1.00 2.28 H new ATOM 0 HA LEU N 2 13.706 -15.237 2.633 1.00 2.11 H new ATOM 0 HB2 LEU N 2 11.380 -14.306 3.018 1.00 1.97 H new ATOM 0 HB3 LEU N 2 12.069 -13.234 4.221 1.00 1.97 H new ATOM 0 HG LEU N 2 13.598 -12.341 2.386 1.00 1.81 H new ATOM 0 HD11 LEU N 2 12.821 -12.652 0.072 1.00 1.81 H new ATOM 0 HD12 LEU N 2 13.349 -14.186 0.804 1.00 1.81 H new ATOM 0 HD13 LEU N 2 11.614 -13.830 0.639 1.00 1.81 H new ATOM 0 HD21 LEU N 2 11.837 -10.880 1.468 1.00 1.61 H new ATOM 0 HD22 LEU N 2 10.596 -11.992 2.093 1.00 1.61 H new ATOM 0 HD23 LEU N 2 11.653 -11.112 3.222 1.00 1.61 H new ATOM 2184 N THR N 3 15.718 -14.114 3.544 1.00 2.14 N ATOM 2185 CA THR N 3 16.929 -13.518 4.084 1.00 2.20 C ATOM 2186 C THR N 3 17.438 -12.376 3.209 1.00 2.09 C ATOM 2187 O THR N 3 17.553 -12.517 1.993 1.00 2.01 O ATOM 2188 CB THR N 3 18.038 -14.579 4.229 1.00 2.39 C ATOM 2189 OG1 THR N 3 17.507 -15.759 4.852 1.00 2.50 O ATOM 2190 CG2 THR N 3 19.200 -14.045 5.052 1.00 2.53 C ATOM 0 H THR N 3 15.824 -14.524 2.616 1.00 2.14 H new ATOM 0 HA THR N 3 16.676 -13.115 5.064 1.00 2.20 H new ATOM 0 HB THR N 3 18.406 -14.825 3.233 1.00 2.39 H new ATOM 0 HG1 THR N 3 18.216 -16.430 4.940 1.00 2.50 H new ATOM 0 HG21 THR N 3 19.968 -14.814 5.139 1.00 2.53 H new ATOM 0 HG22 THR N 3 19.620 -13.166 4.562 1.00 2.53 H new ATOM 0 HG23 THR N 3 18.846 -13.772 6.046 1.00 2.53 H new ATOM 2198 N ILE N 4 17.734 -11.249 3.838 1.00 2.10 N ATOM 2199 CA ILE N 4 18.251 -10.086 3.136 1.00 2.03 C ATOM 2200 C ILE N 4 19.723 -9.908 3.474 1.00 2.18 C ATOM 2201 O ILE N 4 20.089 -9.888 4.648 1.00 2.33 O ATOM 2202 CB ILE N 4 17.494 -8.798 3.532 1.00 1.95 C ATOM 2203 CG1 ILE N 4 15.982 -8.977 3.350 1.00 1.82 C ATOM 2204 CG2 ILE N 4 17.994 -7.608 2.718 1.00 1.89 C ATOM 2205 CD1 ILE N 4 15.554 -9.150 1.908 1.00 1.66 C ATOM 0 H ILE N 4 17.623 -11.116 4.843 1.00 2.10 H new ATOM 0 HA ILE N 4 18.115 -10.253 2.067 1.00 2.03 H new ATOM 0 HB ILE N 4 17.690 -8.600 4.586 1.00 1.95 H new ATOM 0 HG12 ILE N 4 15.658 -9.846 3.922 1.00 1.82 H new ATOM 0 HG13 ILE N 4 15.470 -8.111 3.769 1.00 1.82 H new ATOM 0 HG21 ILE N 4 17.448 -6.711 3.012 1.00 1.89 H new ATOM 0 HG22 ILE N 4 19.058 -7.462 2.903 1.00 1.89 H new ATOM 0 HG23 ILE N 4 17.833 -7.799 1.657 1.00 1.89 H new ATOM 0 HD11 ILE N 4 14.472 -9.271 1.862 1.00 1.66 H new ATOM 0 HD12 ILE N 4 15.846 -8.271 1.334 1.00 1.66 H new ATOM 0 HD13 ILE N 4 16.036 -10.033 1.489 1.00 1.66 H new ATOM 2217 N GLU N 5 20.568 -9.809 2.463 1.00 2.17 N ATOM 2218 CA GLU N 5 21.988 -9.625 2.699 1.00 2.33 C ATOM 2219 C GLU N 5 22.490 -8.392 1.964 1.00 2.29 C ATOM 2220 O GLU N 5 22.014 -8.064 0.875 1.00 2.20 O ATOM 2221 CB GLU N 5 22.789 -10.867 2.288 1.00 2.42 C ATOM 2222 CG GLU N 5 23.059 -10.985 0.796 1.00 2.55 C ATOM 2223 CD GLU N 5 24.236 -11.889 0.499 1.00 2.61 C ATOM 2224 OE1 GLU N 5 25.358 -11.588 0.965 1.00 2.87 O ATOM 2225 OE2 GLU N 5 24.042 -12.915 -0.187 1.00 2.55 O ATOM 0 H GLU N 5 20.299 -9.852 1.480 1.00 2.17 H new ATOM 0 HA GLU N 5 22.136 -9.478 3.769 1.00 2.33 H new ATOM 0 HB2 GLU N 5 23.742 -10.859 2.816 1.00 2.42 H new ATOM 0 HB3 GLU N 5 22.250 -11.755 2.617 1.00 2.42 H new ATOM 0 HG2 GLU N 5 22.171 -11.372 0.297 1.00 2.55 H new ATOM 0 HG3 GLU N 5 23.250 -9.994 0.383 1.00 2.55 H new ATOM 2232 N SER N 6 23.441 -7.711 2.567 1.00 2.40 N ATOM 2233 CA SER N 6 24.001 -6.514 1.977 1.00 2.41 C ATOM 2234 C SER N 6 25.415 -6.782 1.489 1.00 2.55 C ATOM 2235 O SER N 6 26.281 -7.192 2.265 1.00 2.72 O ATOM 2236 CB SER N 6 24.003 -5.382 3.004 1.00 2.48 C ATOM 2237 OG SER N 6 22.886 -5.483 3.873 1.00 2.51 O ATOM 0 H SER N 6 23.844 -7.967 3.469 1.00 2.40 H new ATOM 0 HA SER N 6 23.389 -6.219 1.125 1.00 2.41 H new ATOM 0 HB2 SER N 6 24.925 -5.415 3.585 1.00 2.48 H new ATOM 0 HB3 SER N 6 23.984 -4.420 2.491 1.00 2.48 H new ATOM 0 HG SER N 6 23.035 -4.924 4.664 1.00 2.51 H new ATOM 2243 N THR N 7 25.641 -6.593 0.201 1.00 2.49 N ATOM 2244 CA THR N 7 26.956 -6.801 -0.368 1.00 2.63 C ATOM 2245 C THR N 7 27.390 -5.576 -1.176 1.00 2.63 C ATOM 2246 O THR N 7 26.761 -5.219 -2.177 1.00 2.52 O ATOM 2247 CB THR N 7 27.012 -8.082 -1.242 1.00 2.63 C ATOM 2248 OG1 THR N 7 28.252 -8.143 -1.956 1.00 2.77 O ATOM 2249 CG2 THR N 7 25.851 -8.150 -2.225 1.00 2.46 C ATOM 0 H THR N 7 24.931 -6.296 -0.468 1.00 2.49 H new ATOM 0 HA THR N 7 27.653 -6.941 0.458 1.00 2.63 H new ATOM 0 HB THR N 7 26.934 -8.936 -0.570 1.00 2.63 H new ATOM 0 HG1 THR N 7 28.275 -8.956 -2.502 1.00 2.77 H new ATOM 0 HG21 THR N 7 25.928 -9.062 -2.817 1.00 2.46 H new ATOM 0 HG22 THR N 7 24.909 -8.153 -1.676 1.00 2.46 H new ATOM 0 HG23 THR N 7 25.883 -7.284 -2.886 1.00 2.46 H new ATOM 2257 N PRO N 8 28.445 -4.877 -0.725 1.00 2.78 N ATOM 2258 CA PRO N 8 29.186 -5.226 0.494 1.00 2.94 C ATOM 2259 C PRO N 8 28.494 -4.717 1.760 1.00 2.92 C ATOM 2260 O PRO N 8 27.572 -3.901 1.689 1.00 2.81 O ATOM 2261 CB PRO N 8 30.519 -4.507 0.294 1.00 3.10 C ATOM 2262 CG PRO N 8 30.178 -3.301 -0.515 1.00 3.03 C ATOM 2263 CD PRO N 8 29.009 -3.686 -1.387 1.00 2.83 C ATOM 0 HA PRO N 8 29.273 -6.304 0.632 1.00 2.94 H new ATOM 0 HB2 PRO N 8 30.967 -4.230 1.248 1.00 3.10 H new ATOM 0 HB3 PRO N 8 31.238 -5.142 -0.224 1.00 3.10 H new ATOM 0 HG2 PRO N 8 29.920 -2.461 0.130 1.00 3.03 H new ATOM 0 HG3 PRO N 8 31.028 -2.988 -1.122 1.00 3.03 H new ATOM 0 HD2 PRO N 8 28.277 -2.881 -1.451 1.00 2.83 H new ATOM 0 HD3 PRO N 8 29.327 -3.909 -2.405 1.00 2.83 H new ATOM 2271 N PHE N 9 28.926 -5.211 2.914 1.00 3.06 N ATOM 2272 CA PHE N 9 28.354 -4.782 4.184 1.00 3.08 C ATOM 2273 C PHE N 9 28.917 -3.417 4.557 1.00 3.17 C ATOM 2274 O PHE N 9 28.216 -2.565 5.112 1.00 3.13 O ATOM 2275 CB PHE N 9 28.660 -5.804 5.285 1.00 3.22 C ATOM 2276 CG PHE N 9 28.023 -5.481 6.610 1.00 3.27 C ATOM 2277 CD1 PHE N 9 26.664 -5.671 6.803 1.00 3.17 C ATOM 2278 CD2 PHE N 9 28.782 -4.988 7.661 1.00 3.45 C ATOM 2279 CE1 PHE N 9 26.073 -5.373 8.017 1.00 3.25 C ATOM 2280 CE2 PHE N 9 28.196 -4.689 8.876 1.00 3.52 C ATOM 2281 CZ PHE N 9 26.840 -4.882 9.054 1.00 3.42 C ATOM 0 H PHE N 9 29.668 -5.906 2.997 1.00 3.06 H new ATOM 0 HA PHE N 9 27.271 -4.709 4.081 1.00 3.08 H new ATOM 0 HB2 PHE N 9 28.320 -6.787 4.959 1.00 3.22 H new ATOM 0 HB3 PHE N 9 29.740 -5.868 5.418 1.00 3.22 H new ATOM 0 HD1 PHE N 9 26.059 -6.056 5.996 1.00 3.17 H new ATOM 0 HD2 PHE N 9 29.843 -4.836 7.528 1.00 3.45 H new ATOM 0 HE1 PHE N 9 25.012 -5.524 8.154 1.00 3.25 H new ATOM 0 HE2 PHE N 9 28.798 -4.305 9.686 1.00 3.52 H new ATOM 0 HZ PHE N 9 26.381 -4.649 10.003 1.00 3.42 H new ATOM 2291 N ASN N 10 30.189 -3.224 4.241 1.00 3.30 N ATOM 2292 CA ASN N 10 30.871 -1.969 4.512 1.00 3.41 C ATOM 2293 C ASN N 10 31.019 -1.190 3.214 1.00 3.36 C ATOM 2294 O ASN N 10 31.972 -1.390 2.461 1.00 3.44 O ATOM 2295 CB ASN N 10 32.251 -2.222 5.134 1.00 3.62 C ATOM 2296 CG ASN N 10 32.178 -3.013 6.424 1.00 3.77 C ATOM 2297 OD1 ASN N 10 32.172 -4.245 6.411 1.00 3.85 O ATOM 2298 ND2 ASN N 10 32.138 -2.317 7.549 1.00 3.93 N ATOM 0 H ASN N 10 30.774 -3.929 3.792 1.00 3.30 H new ATOM 0 HA ASN N 10 30.280 -1.391 5.223 1.00 3.41 H new ATOM 0 HB2 ASN N 10 32.874 -2.759 4.419 1.00 3.62 H new ATOM 0 HB3 ASN N 10 32.738 -1.266 5.326 1.00 3.62 H new ATOM 0 HD21 ASN N 10 32.101 -2.800 8.447 1.00 3.93 H new ATOM 0 HD22 ASN N 10 32.145 -1.297 7.518 1.00 3.93 H new ATOM 2305 N VAL N 11 30.065 -0.317 2.946 1.00 3.23 N ATOM 2306 CA VAL N 11 30.080 0.472 1.724 1.00 3.19 C ATOM 2307 C VAL N 11 30.794 1.796 1.946 1.00 3.33 C ATOM 2308 O VAL N 11 30.828 2.315 3.061 1.00 3.41 O ATOM 2309 CB VAL N 11 28.652 0.761 1.207 1.00 3.00 C ATOM 2310 CG1 VAL N 11 28.637 0.840 -0.313 1.00 2.95 C ATOM 2311 CG2 VAL N 11 27.671 -0.292 1.700 1.00 2.86 C ATOM 0 H VAL N 11 29.269 -0.135 3.557 1.00 3.23 H new ATOM 0 HA VAL N 11 30.612 -0.118 0.978 1.00 3.19 H new ATOM 0 HB VAL N 11 28.338 1.726 1.604 1.00 3.00 H new ATOM 0 HG11 VAL N 11 27.623 1.044 -0.657 1.00 2.95 H new ATOM 0 HG12 VAL N 11 29.300 1.640 -0.642 1.00 2.95 H new ATOM 0 HG13 VAL N 11 28.978 -0.108 -0.730 1.00 2.95 H new ATOM 0 HG21 VAL N 11 26.674 -0.066 1.322 1.00 2.86 H new ATOM 0 HG22 VAL N 11 27.980 -1.274 1.342 1.00 2.86 H new ATOM 0 HG23 VAL N 11 27.655 -0.292 2.790 1.00 2.86 H new ATOM 2321 N ALA N 12 31.378 2.331 0.891 1.00 3.39 N ATOM 2322 CA ALA N 12 32.077 3.596 0.977 1.00 3.53 C ATOM 2323 C ALA N 12 31.264 4.693 0.313 1.00 3.45 C ATOM 2324 O ALA N 12 30.501 4.433 -0.621 1.00 3.30 O ATOM 2325 CB ALA N 12 33.447 3.490 0.336 1.00 3.67 C ATOM 0 H ALA N 12 31.381 1.907 -0.037 1.00 3.39 H new ATOM 0 HA ALA N 12 32.208 3.849 2.029 1.00 3.53 H new ATOM 0 HB1 ALA N 12 33.958 4.450 0.410 1.00 3.67 H new ATOM 0 HB2 ALA N 12 34.031 2.727 0.850 1.00 3.67 H new ATOM 0 HB3 ALA N 12 33.337 3.217 -0.714 1.00 3.67 H new ATOM 2331 N GLU N 13 31.420 5.914 0.805 1.00 3.55 N ATOM 2332 CA GLU N 13 30.702 7.057 0.259 1.00 3.51 C ATOM 2333 C GLU N 13 31.076 7.283 -1.203 1.00 3.51 C ATOM 2334 O GLU N 13 32.234 7.564 -1.524 1.00 3.65 O ATOM 2335 CB GLU N 13 30.993 8.313 1.082 1.00 3.66 C ATOM 2336 CG GLU N 13 30.405 8.265 2.483 1.00 3.67 C ATOM 2337 CD GLU N 13 30.712 9.508 3.291 1.00 3.82 C ATOM 2338 OE1 GLU N 13 30.193 10.593 2.947 1.00 3.79 O ATOM 2339 OE2 GLU N 13 31.463 9.406 4.280 1.00 4.04 O ATOM 0 H GLU N 13 32.039 6.139 1.584 1.00 3.55 H new ATOM 0 HA GLU N 13 29.634 6.845 0.311 1.00 3.51 H new ATOM 0 HB2 GLU N 13 32.072 8.450 1.153 1.00 3.66 H new ATOM 0 HB3 GLU N 13 30.595 9.182 0.558 1.00 3.66 H new ATOM 0 HG2 GLU N 13 29.324 8.139 2.414 1.00 3.67 H new ATOM 0 HG3 GLU N 13 30.795 7.392 3.006 1.00 3.67 H new ATOM 2346 N GLY N 14 30.092 7.139 -2.081 1.00 3.36 N ATOM 2347 CA GLY N 14 30.324 7.324 -3.500 1.00 3.36 C ATOM 2348 C GLY N 14 30.276 6.019 -4.273 1.00 3.25 C ATOM 2349 O GLY N 14 30.697 5.959 -5.428 1.00 3.24 O ATOM 0 H GLY N 14 29.133 6.896 -1.834 1.00 3.36 H new ATOM 0 HA2 GLY N 14 29.575 8.007 -3.901 1.00 3.36 H new ATOM 0 HA3 GLY N 14 31.296 7.794 -3.647 1.00 3.36 H new ATOM 2353 N LYS N 15 29.774 4.970 -3.633 1.00 3.19 N ATOM 2354 CA LYS N 15 29.673 3.663 -4.272 1.00 3.10 C ATOM 2355 C LYS N 15 28.246 3.135 -4.196 1.00 2.89 C ATOM 2356 O LYS N 15 27.340 3.850 -3.770 1.00 2.83 O ATOM 2357 CB LYS N 15 30.648 2.677 -3.624 1.00 3.17 C ATOM 2358 CG LYS N 15 32.108 3.033 -3.858 1.00 3.37 C ATOM 2359 CD LYS N 15 32.506 2.841 -5.314 1.00 3.47 C ATOM 2360 CE LYS N 15 33.567 3.846 -5.742 1.00 3.70 C ATOM 2361 NZ LYS N 15 34.827 3.695 -4.970 1.00 3.79 N ATOM 0 H LYS N 15 29.431 4.998 -2.673 1.00 3.19 H new ATOM 0 HA LYS N 15 29.939 3.772 -5.323 1.00 3.10 H new ATOM 0 HB2 LYS N 15 30.458 2.640 -2.551 1.00 3.17 H new ATOM 0 HB3 LYS N 15 30.458 1.678 -4.016 1.00 3.17 H new ATOM 0 HG2 LYS N 15 32.282 4.069 -3.567 1.00 3.37 H new ATOM 0 HG3 LYS N 15 32.740 2.413 -3.223 1.00 3.37 H new ATOM 0 HD2 LYS N 15 32.884 1.829 -5.458 1.00 3.47 H new ATOM 0 HD3 LYS N 15 31.627 2.947 -5.949 1.00 3.47 H new ATOM 0 HE2 LYS N 15 33.777 3.720 -6.804 1.00 3.70 H new ATOM 0 HE3 LYS N 15 33.181 4.857 -5.611 1.00 3.70 H new ATOM 0 HZ1 LYS N 15 35.531 4.377 -5.318 1.00 3.79 H new ATOM 0 HZ2 LYS N 15 34.640 3.874 -3.963 1.00 3.79 H new ATOM 0 HZ3 LYS N 15 35.193 2.729 -5.088 1.00 3.79 H new ATOM 2375 N GLU N 16 28.050 1.888 -4.609 1.00 2.81 N ATOM 2376 CA GLU N 16 26.727 1.278 -4.602 1.00 2.61 C ATOM 2377 C GLU N 16 26.700 0.019 -3.741 1.00 2.56 C ATOM 2378 O GLU N 16 27.729 -0.632 -3.541 1.00 2.68 O ATOM 2379 CB GLU N 16 26.301 0.940 -6.035 1.00 2.56 C ATOM 2380 CG GLU N 16 27.228 -0.043 -6.734 1.00 2.69 C ATOM 2381 CD GLU N 16 27.058 -0.043 -8.239 1.00 2.67 C ATOM 2382 OE1 GLU N 16 27.315 1.004 -8.869 1.00 2.71 O ATOM 2383 OE2 GLU N 16 26.694 -1.095 -8.805 1.00 2.79 O ATOM 0 H GLU N 16 28.792 1.279 -4.953 1.00 2.81 H new ATOM 0 HA GLU N 16 26.027 1.995 -4.173 1.00 2.61 H new ATOM 0 HB2 GLU N 16 25.293 0.525 -6.016 1.00 2.56 H new ATOM 0 HB3 GLU N 16 26.256 1.860 -6.618 1.00 2.56 H new ATOM 0 HG2 GLU N 16 28.261 0.203 -6.490 1.00 2.69 H new ATOM 0 HG3 GLU N 16 27.040 -1.046 -6.352 1.00 2.69 H new ATOM 2390 N VAL N 17 25.520 -0.319 -3.236 1.00 2.40 N ATOM 2391 CA VAL N 17 25.353 -1.503 -2.411 1.00 2.35 C ATOM 2392 C VAL N 17 24.217 -2.356 -2.963 1.00 2.18 C ATOM 2393 O VAL N 17 23.160 -1.837 -3.330 1.00 2.06 O ATOM 2394 CB VAL N 17 25.087 -1.143 -0.928 1.00 2.37 C ATOM 2395 CG1 VAL N 17 23.789 -0.364 -0.766 1.00 2.24 C ATOM 2396 CG2 VAL N 17 25.068 -2.397 -0.065 1.00 2.38 C ATOM 0 H VAL N 17 24.663 0.214 -3.386 1.00 2.40 H new ATOM 0 HA VAL N 17 26.284 -2.069 -2.443 1.00 2.35 H new ATOM 0 HB VAL N 17 25.903 -0.502 -0.594 1.00 2.37 H new ATOM 0 HG11 VAL N 17 23.635 -0.129 0.287 1.00 2.24 H new ATOM 0 HG12 VAL N 17 23.846 0.561 -1.340 1.00 2.24 H new ATOM 0 HG13 VAL N 17 22.956 -0.966 -1.129 1.00 2.24 H new ATOM 0 HG21 VAL N 17 24.880 -2.122 0.973 1.00 2.38 H new ATOM 0 HG22 VAL N 17 24.280 -3.065 -0.412 1.00 2.38 H new ATOM 0 HG23 VAL N 17 26.031 -2.903 -0.137 1.00 2.38 H new ATOM 2406 N LEU N 18 24.441 -3.656 -3.046 1.00 2.19 N ATOM 2407 CA LEU N 18 23.434 -4.558 -3.568 1.00 2.05 C ATOM 2408 C LEU N 18 22.790 -5.354 -2.443 1.00 2.00 C ATOM 2409 O LEU N 18 23.439 -6.179 -1.798 1.00 2.11 O ATOM 2410 CB LEU N 18 24.056 -5.499 -4.606 1.00 2.11 C ATOM 2411 CG LEU N 18 23.090 -6.484 -5.274 1.00 2.00 C ATOM 2412 CD1 LEU N 18 21.966 -5.746 -5.986 1.00 1.88 C ATOM 2413 CD2 LEU N 18 23.842 -7.379 -6.250 1.00 2.11 C ATOM 0 H LEU N 18 25.309 -4.108 -2.759 1.00 2.19 H new ATOM 0 HA LEU N 18 22.657 -3.967 -4.053 1.00 2.05 H new ATOM 0 HB2 LEU N 18 24.524 -4.895 -5.383 1.00 2.11 H new ATOM 0 HB3 LEU N 18 24.850 -6.068 -4.123 1.00 2.11 H new ATOM 0 HG LEU N 18 22.646 -7.107 -4.498 1.00 2.00 H new ATOM 0 HD11 LEU N 18 21.295 -6.468 -6.452 1.00 1.88 H new ATOM 0 HD12 LEU N 18 21.411 -5.146 -5.265 1.00 1.88 H new ATOM 0 HD13 LEU N 18 22.386 -5.095 -6.752 1.00 1.88 H new ATOM 0 HD21 LEU N 18 23.145 -8.074 -6.718 1.00 2.11 H new ATOM 0 HD22 LEU N 18 24.313 -6.765 -7.018 1.00 2.11 H new ATOM 0 HD23 LEU N 18 24.608 -7.939 -5.714 1.00 2.11 H new ATOM 2425 N LEU N 19 21.523 -5.076 -2.191 1.00 1.85 N ATOM 2426 CA LEU N 19 20.773 -5.781 -1.166 1.00 1.82 C ATOM 2427 C LEU N 19 20.154 -7.027 -1.788 1.00 1.74 C ATOM 2428 O LEU N 19 19.063 -6.970 -2.356 1.00 1.61 O ATOM 2429 CB LEU N 19 19.687 -4.874 -0.573 1.00 1.72 C ATOM 2430 CG LEU N 19 20.184 -3.527 -0.040 1.00 1.81 C ATOM 2431 CD1 LEU N 19 19.015 -2.661 0.403 1.00 1.72 C ATOM 2432 CD2 LEU N 19 21.155 -3.738 1.109 1.00 2.00 C ATOM 0 H LEU N 19 20.989 -4.362 -2.686 1.00 1.85 H new ATOM 0 HA LEU N 19 21.440 -6.070 -0.354 1.00 1.82 H new ATOM 0 HB2 LEU N 19 18.933 -4.688 -1.338 1.00 1.72 H new ATOM 0 HB3 LEU N 19 19.193 -5.408 0.239 1.00 1.72 H new ATOM 0 HG LEU N 19 20.706 -3.010 -0.845 1.00 1.81 H new ATOM 0 HD11 LEU N 19 19.389 -1.709 0.778 1.00 1.72 H new ATOM 0 HD12 LEU N 19 18.353 -2.482 -0.444 1.00 1.72 H new ATOM 0 HD13 LEU N 19 18.463 -3.171 1.193 1.00 1.72 H new ATOM 0 HD21 LEU N 19 21.499 -2.771 1.477 1.00 2.00 H new ATOM 0 HD22 LEU N 19 20.654 -4.275 1.914 1.00 2.00 H new ATOM 0 HD23 LEU N 19 22.009 -4.319 0.761 1.00 2.00 H new ATOM 2444 N LEU N 20 20.879 -8.135 -1.705 1.00 1.87 N ATOM 2445 CA LEU N 20 20.435 -9.397 -2.281 1.00 1.85 C ATOM 2446 C LEU N 20 19.392 -10.078 -1.409 1.00 1.81 C ATOM 2447 O LEU N 20 19.534 -10.158 -0.186 1.00 1.92 O ATOM 2448 CB LEU N 20 21.622 -10.339 -2.489 1.00 2.02 C ATOM 2449 CG LEU N 20 22.521 -10.004 -3.680 1.00 2.07 C ATOM 2450 CD1 LEU N 20 23.729 -10.925 -3.713 1.00 2.26 C ATOM 2451 CD2 LEU N 20 21.745 -10.106 -4.986 1.00 2.01 C ATOM 0 H LEU N 20 21.785 -8.184 -1.240 1.00 1.87 H new ATOM 0 HA LEU N 20 19.978 -9.169 -3.244 1.00 1.85 H new ATOM 0 HB2 LEU N 20 22.230 -10.336 -1.584 1.00 2.02 H new ATOM 0 HB3 LEU N 20 21.242 -11.353 -2.615 1.00 2.02 H new ATOM 0 HG LEU N 20 22.869 -8.978 -3.564 1.00 2.07 H new ATOM 0 HD11 LEU N 20 24.357 -10.671 -4.567 1.00 2.26 H new ATOM 0 HD12 LEU N 20 24.302 -10.806 -2.794 1.00 2.26 H new ATOM 0 HD13 LEU N 20 23.396 -11.959 -3.802 1.00 2.26 H new ATOM 0 HD21 LEU N 20 22.403 -9.864 -5.820 1.00 2.01 H new ATOM 0 HD22 LEU N 20 21.366 -11.121 -5.106 1.00 2.01 H new ATOM 0 HD23 LEU N 20 20.909 -9.406 -4.968 1.00 2.01 H new ATOM 2463 N VAL N 21 18.355 -10.582 -2.054 1.00 1.70 N ATOM 2464 CA VAL N 21 17.272 -11.264 -1.368 1.00 1.69 C ATOM 2465 C VAL N 21 17.371 -12.769 -1.592 1.00 1.80 C ATOM 2466 O VAL N 21 17.420 -13.233 -2.729 1.00 1.81 O ATOM 2467 CB VAL N 21 15.902 -10.757 -1.859 1.00 1.53 C ATOM 2468 CG1 VAL N 21 14.769 -11.463 -1.132 1.00 1.55 C ATOM 2469 CG2 VAL N 21 15.801 -9.252 -1.679 1.00 1.44 C ATOM 0 H VAL N 21 18.240 -10.530 -3.066 1.00 1.70 H new ATOM 0 HA VAL N 21 17.361 -11.050 -0.303 1.00 1.69 H new ATOM 0 HB VAL N 21 15.813 -10.986 -2.921 1.00 1.53 H new ATOM 0 HG11 VAL N 21 13.813 -11.087 -1.497 1.00 1.55 H new ATOM 0 HG12 VAL N 21 14.831 -12.536 -1.316 1.00 1.55 H new ATOM 0 HG13 VAL N 21 14.849 -11.273 -0.062 1.00 1.55 H new ATOM 0 HG21 VAL N 21 14.828 -8.908 -2.030 1.00 1.44 H new ATOM 0 HG22 VAL N 21 15.915 -9.003 -0.624 1.00 1.44 H new ATOM 0 HG23 VAL N 21 16.588 -8.763 -2.254 1.00 1.44 H new ATOM 2479 N HIS N 22 17.418 -13.524 -0.505 1.00 1.93 N ATOM 2480 CA HIS N 22 17.516 -14.976 -0.584 1.00 2.06 C ATOM 2481 C HIS N 22 16.244 -15.636 -0.061 1.00 2.07 C ATOM 2482 O HIS N 22 15.599 -15.115 0.854 1.00 2.03 O ATOM 2483 CB HIS N 22 18.717 -15.481 0.223 1.00 2.25 C ATOM 2484 CG HIS N 22 20.047 -15.172 -0.393 1.00 2.28 C ATOM 2485 ND1 HIS N 22 20.759 -16.081 -1.140 1.00 2.41 N ATOM 2486 CD2 HIS N 22 20.807 -14.053 -0.342 1.00 2.28 C ATOM 2487 CE1 HIS N 22 21.900 -15.535 -1.523 1.00 2.44 C ATOM 2488 NE2 HIS N 22 21.956 -14.302 -1.050 1.00 2.35 N ATOM 0 H HIS N 22 17.390 -13.155 0.446 1.00 1.93 H new ATOM 0 HA HIS N 22 17.649 -15.242 -1.633 1.00 2.06 H new ATOM 0 HB2 HIS N 22 18.681 -15.042 1.220 1.00 2.25 H new ATOM 0 HB3 HIS N 22 18.629 -16.560 0.347 1.00 2.25 H new ATOM 0 HD2 HIS N 22 20.555 -13.132 0.164 1.00 2.28 H new ATOM 0 HE1 HIS N 22 22.659 -16.016 -2.122 1.00 2.44 H new ATOM 0 HE2 HIS N 22 22.724 -13.646 -1.188 1.00 2.35 H new ATOM 2497 N ASN N 23 15.907 -16.782 -0.652 1.00 2.14 N ATOM 2498 CA ASN N 23 14.729 -17.568 -0.271 1.00 2.18 C ATOM 2499 C ASN N 23 13.435 -16.812 -0.545 1.00 2.05 C ATOM 2500 O ASN N 23 12.607 -16.624 0.351 1.00 2.05 O ATOM 2501 CB ASN N 23 14.790 -17.988 1.203 1.00 2.30 C ATOM 2502 CG ASN N 23 15.934 -18.939 1.499 1.00 2.47 C ATOM 2503 OD1 ASN N 23 16.454 -18.970 2.614 1.00 2.75 O ATOM 2504 ND2 ASN N 23 16.331 -19.731 0.513 1.00 2.60 N ATOM 0 H ASN N 23 16.445 -17.195 -1.413 1.00 2.14 H new ATOM 0 HA ASN N 23 14.736 -18.466 -0.888 1.00 2.18 H new ATOM 0 HB2 ASN N 23 14.893 -17.099 1.825 1.00 2.30 H new ATOM 0 HB3 ASN N 23 13.849 -18.463 1.480 1.00 2.30 H new ATOM 0 HD21 ASN N 23 17.091 -20.394 0.666 1.00 2.60 H new ATOM 0 HD22 ASN N 23 15.876 -19.678 -0.399 1.00 2.60 H new ATOM 2511 N LEU N 24 13.265 -16.389 -1.791 1.00 1.96 N ATOM 2512 CA LEU N 24 12.073 -15.658 -2.196 1.00 1.85 C ATOM 2513 C LEU N 24 10.899 -16.623 -2.385 1.00 1.94 C ATOM 2514 O LEU N 24 11.036 -17.653 -3.049 1.00 2.05 O ATOM 2515 CB LEU N 24 12.346 -14.881 -3.490 1.00 1.78 C ATOM 2516 CG LEU N 24 11.261 -13.882 -3.900 1.00 1.66 C ATOM 2517 CD1 LEU N 24 11.311 -12.644 -3.017 1.00 1.56 C ATOM 2518 CD2 LEU N 24 11.422 -13.501 -5.362 1.00 1.66 C ATOM 0 H LEU N 24 13.940 -16.541 -2.540 1.00 1.96 H new ATOM 0 HA LEU N 24 11.811 -14.947 -1.413 1.00 1.85 H new ATOM 0 HB2 LEU N 24 13.287 -14.343 -3.378 1.00 1.78 H new ATOM 0 HB3 LEU N 24 12.482 -15.596 -4.301 1.00 1.78 H new ATOM 0 HG LEU N 24 10.288 -14.355 -3.769 1.00 1.66 H new ATOM 0 HD11 LEU N 24 10.532 -11.946 -3.324 1.00 1.56 H new ATOM 0 HD12 LEU N 24 11.151 -12.932 -1.978 1.00 1.56 H new ATOM 0 HD13 LEU N 24 12.286 -12.166 -3.115 1.00 1.56 H new ATOM 0 HD21 LEU N 24 10.644 -12.790 -5.641 1.00 1.66 H new ATOM 0 HD22 LEU N 24 12.401 -13.046 -5.514 1.00 1.66 H new ATOM 0 HD23 LEU N 24 11.337 -14.393 -5.982 1.00 1.66 H new ATOM 2530 N PRO N 25 9.736 -16.312 -1.788 1.00 1.93 N ATOM 2531 CA PRO N 25 8.538 -17.157 -1.883 1.00 2.04 C ATOM 2532 C PRO N 25 7.872 -17.108 -3.261 1.00 2.03 C ATOM 2533 O PRO N 25 8.424 -16.556 -4.217 1.00 1.96 O ATOM 2534 CB PRO N 25 7.610 -16.568 -0.820 1.00 2.04 C ATOM 2535 CG PRO N 25 8.018 -15.143 -0.708 1.00 1.90 C ATOM 2536 CD PRO N 25 9.500 -15.116 -0.956 1.00 1.85 C ATOM 0 HA PRO N 25 8.778 -18.210 -1.734 1.00 2.04 H new ATOM 0 HB2 PRO N 25 6.564 -16.658 -1.114 1.00 2.04 H new ATOM 0 HB3 PRO N 25 7.719 -17.087 0.132 1.00 2.04 H new ATOM 0 HG2 PRO N 25 7.489 -14.527 -1.436 1.00 1.90 H new ATOM 0 HG3 PRO N 25 7.780 -14.745 0.279 1.00 1.90 H new ATOM 0 HD2 PRO N 25 9.804 -14.204 -1.470 1.00 1.85 H new ATOM 0 HD3 PRO N 25 10.063 -15.159 -0.024 1.00 1.85 H new ATOM 2544 N GLN N 26 6.681 -17.694 -3.351 1.00 2.14 N ATOM 2545 CA GLN N 26 5.927 -17.737 -4.598 1.00 2.18 C ATOM 2546 C GLN N 26 4.707 -16.822 -4.532 1.00 2.15 C ATOM 2547 O GLN N 26 4.469 -16.172 -3.514 1.00 2.12 O ATOM 2548 CB GLN N 26 5.476 -19.169 -4.894 1.00 2.38 C ATOM 2549 CG GLN N 26 6.626 -20.154 -5.044 1.00 2.48 C ATOM 2550 CD GLN N 26 7.594 -19.773 -6.151 1.00 2.46 C ATOM 2551 OE1 GLN N 26 8.792 -20.052 -6.066 1.00 2.52 O ATOM 2552 NE2 GLN N 26 7.087 -19.154 -7.206 1.00 2.53 N ATOM 0 H GLN N 26 6.215 -18.149 -2.566 1.00 2.14 H new ATOM 0 HA GLN N 26 6.581 -17.389 -5.398 1.00 2.18 H new ATOM 0 HB2 GLN N 26 4.822 -19.508 -4.091 1.00 2.38 H new ATOM 0 HB3 GLN N 26 4.885 -19.172 -5.810 1.00 2.38 H new ATOM 0 HG2 GLN N 26 7.168 -20.217 -4.101 1.00 2.48 H new ATOM 0 HG3 GLN N 26 6.223 -21.146 -5.247 1.00 2.48 H new ATOM 0 HE21 GLN N 26 6.090 -18.939 -7.241 1.00 2.53 H new ATOM 0 HE22 GLN N 26 7.693 -18.892 -7.983 1.00 2.53 H new ATOM 2561 N HIS N 27 3.944 -16.783 -5.627 1.00 2.21 N ATOM 2562 CA HIS N 27 2.734 -15.958 -5.721 1.00 2.23 C ATOM 2563 C HIS N 27 3.057 -14.490 -5.477 1.00 2.10 C ATOM 2564 O HIS N 27 2.359 -13.802 -4.731 1.00 2.14 O ATOM 2565 CB HIS N 27 1.672 -16.430 -4.723 1.00 2.36 C ATOM 2566 CG HIS N 27 0.460 -17.030 -5.367 1.00 2.54 C ATOM 2567 ND1 HIS N 27 -0.658 -16.296 -5.701 1.00 2.92 N ATOM 2568 CD2 HIS N 27 0.188 -18.307 -5.725 1.00 2.81 C ATOM 2569 CE1 HIS N 27 -1.565 -17.095 -6.231 1.00 3.18 C ATOM 2570 NE2 HIS N 27 -1.076 -18.316 -6.259 1.00 3.11 N ATOM 0 H HIS N 27 4.145 -17.319 -6.471 1.00 2.21 H new ATOM 0 HA HIS N 27 2.338 -16.066 -6.731 1.00 2.23 H new ATOM 0 HB2 HIS N 27 2.118 -17.166 -4.054 1.00 2.36 H new ATOM 0 HB3 HIS N 27 1.364 -15.585 -4.108 1.00 2.36 H new ATOM 0 HD2 HIS N 27 0.843 -19.158 -5.612 1.00 2.81 H new ATOM 0 HE1 HIS N 27 -2.542 -16.797 -6.582 1.00 3.18 H new ATOM 0 HE2 HIS N 27 -1.559 -19.138 -6.620 1.00 3.11 H new ATOM 2579 N LEU N 28 4.103 -14.017 -6.132 1.00 1.99 N ATOM 2580 CA LEU N 28 4.553 -12.643 -5.976 1.00 1.89 C ATOM 2581 C LEU N 28 3.588 -11.668 -6.635 1.00 1.87 C ATOM 2582 O LEU N 28 3.242 -11.813 -7.809 1.00 2.01 O ATOM 2583 CB LEU N 28 5.956 -12.456 -6.573 1.00 1.85 C ATOM 2584 CG LEU N 28 7.082 -13.287 -5.941 1.00 1.91 C ATOM 2585 CD1 LEU N 28 6.961 -13.308 -4.424 1.00 2.25 C ATOM 2586 CD2 LEU N 28 7.088 -14.701 -6.503 1.00 2.11 C ATOM 0 H LEU N 28 4.662 -14.569 -6.783 1.00 1.99 H new ATOM 0 HA LEU N 28 4.588 -12.433 -4.907 1.00 1.89 H new ATOM 0 HB2 LEU N 28 5.910 -12.695 -7.636 1.00 1.85 H new ATOM 0 HB3 LEU N 28 6.223 -11.402 -6.494 1.00 1.85 H new ATOM 0 HG LEU N 28 8.031 -12.815 -6.194 1.00 1.91 H new ATOM 0 HD11 LEU N 28 7.771 -13.903 -4.003 1.00 2.25 H new ATOM 0 HD12 LEU N 28 7.022 -12.290 -4.040 1.00 2.25 H new ATOM 0 HD13 LEU N 28 6.004 -13.746 -4.141 1.00 2.25 H new ATOM 0 HD21 LEU N 28 7.893 -15.272 -6.042 1.00 2.11 H new ATOM 0 HD22 LEU N 28 6.133 -15.182 -6.289 1.00 2.11 H new ATOM 0 HD23 LEU N 28 7.241 -14.663 -7.581 1.00 2.11 H new ATOM 2598 N PHE N 29 3.139 -10.692 -5.868 1.00 1.75 N ATOM 2599 CA PHE N 29 2.239 -9.675 -6.379 1.00 1.76 C ATOM 2600 C PHE N 29 3.000 -8.368 -6.565 1.00 1.61 C ATOM 2601 O PHE N 29 2.746 -7.614 -7.505 1.00 1.66 O ATOM 2602 CB PHE N 29 1.050 -9.476 -5.433 1.00 1.81 C ATOM 2603 CG PHE N 29 -0.020 -8.580 -5.991 1.00 1.84 C ATOM 2604 CD1 PHE N 29 -0.821 -9.009 -7.036 1.00 2.17 C ATOM 2605 CD2 PHE N 29 -0.224 -7.312 -5.473 1.00 2.20 C ATOM 2606 CE1 PHE N 29 -1.805 -8.190 -7.557 1.00 2.22 C ATOM 2607 CE2 PHE N 29 -1.206 -6.488 -5.989 1.00 2.28 C ATOM 2608 CZ PHE N 29 -1.998 -6.928 -7.034 1.00 1.99 C ATOM 0 H PHE N 29 3.384 -10.582 -4.884 1.00 1.75 H new ATOM 0 HA PHE N 29 1.848 -10.001 -7.343 1.00 1.76 H new ATOM 0 HB2 PHE N 29 0.614 -10.448 -5.202 1.00 1.81 H new ATOM 0 HB3 PHE N 29 1.410 -9.056 -4.494 1.00 1.81 H new ATOM 0 HD1 PHE N 29 -0.675 -9.996 -7.449 1.00 2.17 H new ATOM 0 HD2 PHE N 29 0.391 -6.963 -4.657 1.00 2.20 H new ATOM 0 HE1 PHE N 29 -2.422 -8.538 -8.372 1.00 2.22 H new ATOM 0 HE2 PHE N 29 -1.355 -5.501 -5.577 1.00 2.28 H new ATOM 0 HZ PHE N 29 -2.765 -6.285 -7.440 1.00 1.99 H new ATOM 2618 N GLY N 30 3.946 -8.113 -5.670 1.00 1.47 N ATOM 2619 CA GLY N 30 4.743 -6.908 -5.755 1.00 1.34 C ATOM 2620 C GLY N 30 5.711 -6.775 -4.598 1.00 1.23 C ATOM 2621 O GLY N 30 5.400 -7.160 -3.474 1.00 1.26 O ATOM 0 H GLY N 30 4.175 -8.722 -4.885 1.00 1.47 H new ATOM 0 HA2 GLY N 30 5.299 -6.908 -6.693 1.00 1.34 H new ATOM 0 HA3 GLY N 30 4.084 -6.040 -5.776 1.00 1.34 H new ATOM 2625 N TYR N 31 6.891 -6.244 -4.873 1.00 1.15 N ATOM 2626 CA TYR N 31 7.894 -6.045 -3.840 1.00 1.07 C ATOM 2627 C TYR N 31 7.827 -4.603 -3.365 1.00 1.04 C ATOM 2628 O TYR N 31 7.557 -3.702 -4.156 1.00 1.15 O ATOM 2629 CB TYR N 31 9.303 -6.345 -4.364 1.00 1.07 C ATOM 2630 CG TYR N 31 9.430 -7.643 -5.131 1.00 1.13 C ATOM 2631 CD1 TYR N 31 10.005 -7.661 -6.394 1.00 1.18 C ATOM 2632 CD2 TYR N 31 8.984 -8.846 -4.596 1.00 1.19 C ATOM 2633 CE1 TYR N 31 10.129 -8.837 -7.105 1.00 1.26 C ATOM 2634 CE2 TYR N 31 9.105 -10.029 -5.303 1.00 1.28 C ATOM 2635 CZ TYR N 31 9.680 -10.018 -6.557 1.00 1.31 C ATOM 2636 OH TYR N 31 9.807 -11.191 -7.267 1.00 1.42 O ATOM 0 H TYR N 31 7.178 -5.943 -5.804 1.00 1.15 H new ATOM 0 HA TYR N 31 7.688 -6.730 -3.017 1.00 1.07 H new ATOM 0 HB2 TYR N 31 9.618 -5.525 -5.010 1.00 1.07 H new ATOM 0 HB3 TYR N 31 9.992 -6.369 -3.520 1.00 1.07 H new ATOM 0 HD1 TYR N 31 10.362 -6.739 -6.828 1.00 1.18 H new ATOM 0 HD2 TYR N 31 8.536 -8.857 -3.613 1.00 1.19 H new ATOM 0 HE1 TYR N 31 10.577 -8.831 -8.088 1.00 1.26 H new ATOM 0 HE2 TYR N 31 8.751 -10.956 -4.876 1.00 1.28 H new ATOM 0 HH TYR N 31 10.575 -11.126 -7.872 1.00 1.42 H new ATOM 2646 N SER N 32 8.036 -4.377 -2.084 1.00 0.97 N ATOM 2647 CA SER N 32 8.000 -3.025 -1.553 1.00 0.97 C ATOM 2648 C SER N 32 9.115 -2.804 -0.538 1.00 0.97 C ATOM 2649 O SER N 32 9.172 -3.476 0.491 1.00 1.03 O ATOM 2650 CB SER N 32 6.638 -2.746 -0.918 1.00 1.05 C ATOM 2651 OG SER N 32 5.594 -2.929 -1.860 1.00 1.27 O ATOM 0 H SER N 32 8.231 -5.103 -1.395 1.00 0.97 H new ATOM 0 HA SER N 32 8.155 -2.330 -2.378 1.00 0.97 H new ATOM 0 HB2 SER N 32 6.486 -3.410 -0.067 1.00 1.05 H new ATOM 0 HB3 SER N 32 6.613 -1.726 -0.535 1.00 1.05 H new ATOM 0 HG SER N 32 4.731 -2.747 -1.432 1.00 1.27 H new ATOM 2657 N TRP N 33 10.002 -1.866 -0.840 1.00 0.97 N ATOM 2658 CA TRP N 33 11.112 -1.548 0.043 1.00 1.04 C ATOM 2659 C TRP N 33 10.781 -0.318 0.877 1.00 1.11 C ATOM 2660 O TRP N 33 10.335 0.707 0.339 1.00 1.10 O ATOM 2661 CB TRP N 33 12.391 -1.312 -0.762 1.00 1.06 C ATOM 2662 CG TRP N 33 13.138 -2.573 -1.086 1.00 1.07 C ATOM 2663 CD1 TRP N 33 13.083 -3.286 -2.250 1.00 1.04 C ATOM 2664 CD2 TRP N 33 14.052 -3.271 -0.231 1.00 1.17 C ATOM 2665 NE1 TRP N 33 13.914 -4.380 -2.171 1.00 1.10 N ATOM 2666 CE2 TRP N 33 14.517 -4.393 -0.943 1.00 1.18 C ATOM 2667 CE3 TRP N 33 14.526 -3.055 1.068 1.00 1.29 C ATOM 2668 CZ2 TRP N 33 15.430 -5.295 -0.401 1.00 1.30 C ATOM 2669 CZ3 TRP N 33 15.431 -3.951 1.604 1.00 1.40 C ATOM 2670 CH2 TRP N 33 15.876 -5.057 0.870 1.00 1.41 C ATOM 0 H TRP N 33 9.973 -1.310 -1.695 1.00 0.97 H new ATOM 0 HA TRP N 33 11.277 -2.394 0.710 1.00 1.04 H new ATOM 0 HB2 TRP N 33 12.137 -0.801 -1.691 1.00 1.06 H new ATOM 0 HB3 TRP N 33 13.046 -0.646 -0.201 1.00 1.06 H new ATOM 0 HD1 TRP N 33 12.477 -3.029 -3.106 1.00 1.04 H new ATOM 0 HE1 TRP N 33 14.057 -5.070 -2.909 1.00 1.10 H new ATOM 0 HE3 TRP N 33 14.190 -2.203 1.641 1.00 1.29 H new ATOM 0 HZ2 TRP N 33 15.773 -6.151 -0.964 1.00 1.30 H new ATOM 0 HZ3 TRP N 33 15.801 -3.795 2.606 1.00 1.40 H new ATOM 0 HH2 TRP N 33 16.586 -5.737 1.317 1.00 1.41 H new ATOM 2681 N TYR N 34 10.990 -0.435 2.187 1.00 1.21 N ATOM 2682 CA TYR N 34 10.718 0.644 3.131 1.00 1.31 C ATOM 2683 C TYR N 34 11.980 1.005 3.907 1.00 1.43 C ATOM 2684 O TYR N 34 12.880 0.177 4.069 1.00 1.47 O ATOM 2685 CB TYR N 34 9.631 0.225 4.127 1.00 1.39 C ATOM 2686 CG TYR N 34 8.308 -0.144 3.496 1.00 1.30 C ATOM 2687 CD1 TYR N 34 8.064 -1.434 3.044 1.00 1.31 C ATOM 2688 CD2 TYR N 34 7.298 0.797 3.361 1.00 1.44 C ATOM 2689 CE1 TYR N 34 6.852 -1.772 2.476 1.00 1.31 C ATOM 2690 CE2 TYR N 34 6.085 0.465 2.793 1.00 1.44 C ATOM 2691 CZ TYR N 34 5.866 -0.820 2.353 1.00 1.31 C ATOM 2692 OH TYR N 34 4.656 -1.156 1.792 1.00 1.40 O ATOM 0 H TYR N 34 11.353 -1.282 2.623 1.00 1.21 H new ATOM 0 HA TYR N 34 10.378 1.509 2.561 1.00 1.31 H new ATOM 0 HB2 TYR N 34 9.994 -0.626 4.704 1.00 1.39 H new ATOM 0 HB3 TYR N 34 9.468 1.041 4.831 1.00 1.39 H new ATOM 0 HD1 TYR N 34 8.835 -2.185 3.138 1.00 1.31 H new ATOM 0 HD2 TYR N 34 7.464 1.807 3.706 1.00 1.44 H new ATOM 0 HE1 TYR N 34 6.678 -2.780 2.129 1.00 1.31 H new ATOM 0 HE2 TYR N 34 5.310 1.211 2.694 1.00 1.44 H new ATOM 0 HH TYR N 34 3.940 -1.001 2.442 1.00 1.40 H new ATOM 2702 N LYS N 35 12.040 2.234 4.399 1.00 1.52 N ATOM 2703 CA LYS N 35 13.188 2.683 5.168 1.00 1.66 C ATOM 2704 C LYS N 35 12.901 2.548 6.656 1.00 1.79 C ATOM 2705 O LYS N 35 12.234 3.398 7.251 1.00 1.94 O ATOM 2706 CB LYS N 35 13.547 4.133 4.825 1.00 1.71 C ATOM 2707 CG LYS N 35 14.771 4.658 5.567 1.00 1.87 C ATOM 2708 CD LYS N 35 15.998 3.800 5.300 1.00 1.94 C ATOM 2709 CE LYS N 35 17.229 4.337 6.016 1.00 2.14 C ATOM 2710 NZ LYS N 35 17.175 4.103 7.488 1.00 2.34 N ATOM 0 H LYS N 35 11.309 2.935 4.279 1.00 1.52 H new ATOM 0 HA LYS N 35 14.041 2.055 4.910 1.00 1.66 H new ATOM 0 HB2 LYS N 35 13.724 4.209 3.752 1.00 1.71 H new ATOM 0 HB3 LYS N 35 12.694 4.772 5.053 1.00 1.71 H new ATOM 0 HG2 LYS N 35 14.971 5.685 5.260 1.00 1.87 H new ATOM 0 HG3 LYS N 35 14.567 4.679 6.638 1.00 1.87 H new ATOM 0 HD2 LYS N 35 15.805 2.778 5.626 1.00 1.94 H new ATOM 0 HD3 LYS N 35 16.189 3.762 4.227 1.00 1.94 H new ATOM 0 HE2 LYS N 35 18.121 3.861 5.607 1.00 2.14 H new ATOM 0 HE3 LYS N 35 17.321 5.406 5.823 1.00 2.14 H new ATOM 0 HZ1 LYS N 35 18.034 4.486 7.932 1.00 2.34 H new ATOM 0 HZ2 LYS N 35 16.339 4.578 7.885 1.00 2.34 H new ATOM 0 HZ3 LYS N 35 17.114 3.082 7.675 1.00 2.34 H new ATOM 2724 N GLY N 36 13.397 1.472 7.243 1.00 1.82 N ATOM 2725 CA GLY N 36 13.190 1.232 8.649 1.00 1.97 C ATOM 2726 C GLY N 36 13.314 -0.232 8.993 1.00 1.96 C ATOM 2727 O GLY N 36 13.973 -0.984 8.273 1.00 1.91 O ATOM 0 H GLY N 36 13.944 0.756 6.764 1.00 1.82 H new ATOM 0 HA2 GLY N 36 13.917 1.804 9.226 1.00 1.97 H new ATOM 0 HA3 GLY N 36 12.202 1.590 8.937 1.00 1.97 H new ATOM 2731 N GLU N 37 12.678 -0.643 10.079 1.00 2.04 N ATOM 2732 CA GLU N 37 12.729 -2.031 10.513 1.00 2.09 C ATOM 2733 C GLU N 37 11.352 -2.681 10.472 1.00 2.03 C ATOM 2734 O GLU N 37 11.174 -3.796 10.965 1.00 2.14 O ATOM 2735 CB GLU N 37 13.299 -2.130 11.925 1.00 2.34 C ATOM 2736 CG GLU N 37 14.815 -2.084 11.975 1.00 2.44 C ATOM 2737 CD GLU N 37 15.356 -2.480 13.328 1.00 2.70 C ATOM 2738 OE1 GLU N 37 16.224 -1.757 13.860 1.00 2.86 O ATOM 2739 OE2 GLU N 37 14.905 -3.511 13.875 1.00 2.83 O ATOM 0 H GLU N 37 12.119 -0.034 10.677 1.00 2.04 H new ATOM 0 HA GLU N 37 13.381 -2.564 9.821 1.00 2.09 H new ATOM 0 HB2 GLU N 37 12.899 -1.314 12.527 1.00 2.34 H new ATOM 0 HB3 GLU N 37 12.957 -3.059 12.381 1.00 2.34 H new ATOM 0 HG2 GLU N 37 15.222 -2.750 11.214 1.00 2.44 H new ATOM 0 HG3 GLU N 37 15.154 -1.077 11.731 1.00 2.44 H new ATOM 2746 N ARG N 38 10.379 -1.989 9.889 1.00 1.94 N ATOM 2747 CA ARG N 38 9.026 -2.526 9.791 1.00 1.94 C ATOM 2748 C ARG N 38 8.349 -2.073 8.501 1.00 1.72 C ATOM 2749 O ARG N 38 8.862 -1.210 7.784 1.00 1.66 O ATOM 2750 CB ARG N 38 8.182 -2.112 11.002 1.00 2.21 C ATOM 2751 CG ARG N 38 7.645 -0.694 10.921 1.00 2.65 C ATOM 2752 CD ARG N 38 6.290 -0.572 11.595 1.00 3.25 C ATOM 2753 NE ARG N 38 5.572 0.626 11.163 1.00 3.89 N ATOM 2754 CZ ARG N 38 4.308 0.630 10.736 1.00 4.72 C ATOM 2755 NH1 ARG N 38 3.606 -0.501 10.695 1.00 5.07 N ATOM 2756 NH2 ARG N 38 3.750 1.769 10.347 1.00 5.58 N ATOM 0 H ARG N 38 10.500 -1.062 9.480 1.00 1.94 H new ATOM 0 HA ARG N 38 9.104 -3.613 9.778 1.00 1.94 H new ATOM 0 HB2 ARG N 38 7.344 -2.802 11.102 1.00 2.21 H new ATOM 0 HB3 ARG N 38 8.786 -2.211 11.904 1.00 2.21 H new ATOM 0 HG2 ARG N 38 8.350 -0.010 11.393 1.00 2.65 H new ATOM 0 HG3 ARG N 38 7.561 -0.395 9.876 1.00 2.65 H new ATOM 0 HD2 ARG N 38 5.692 -1.455 11.370 1.00 3.25 H new ATOM 0 HD3 ARG N 38 6.424 -0.545 12.676 1.00 3.25 H new ATOM 0 HE ARG N 38 6.069 1.516 11.190 1.00 3.89 H new ATOM 0 HH11 ARG N 38 4.034 -1.378 10.991 1.00 5.07 H new ATOM 0 HH12 ARG N 38 2.640 -0.490 10.367 1.00 5.07 H new ATOM 0 HH21 ARG N 38 4.287 2.636 10.375 1.00 5.58 H new ATOM 0 HH22 ARG N 38 2.784 1.778 10.020 1.00 5.58 H new ATOM 2770 N CYS N 39 7.194 -2.659 8.211 1.00 1.70 N ATOM 2771 CA CYS N 39 6.447 -2.324 7.009 1.00 1.58 C ATOM 2772 C CYS N 39 5.544 -1.111 7.235 1.00 1.59 C ATOM 2773 O CYS N 39 4.389 -1.247 7.634 1.00 2.01 O ATOM 2774 CB CYS N 39 5.615 -3.527 6.552 1.00 1.75 C ATOM 2775 SG CYS N 39 4.570 -4.270 7.848 1.00 1.85 S ATOM 0 H CYS N 39 6.755 -3.371 8.795 1.00 1.70 H new ATOM 0 HA CYS N 39 7.163 -2.068 6.228 1.00 1.58 H new ATOM 0 HB2 CYS N 39 4.977 -3.217 5.724 1.00 1.75 H new ATOM 0 HB3 CYS N 39 6.289 -4.292 6.166 1.00 1.75 H new ATOM 2780 N ASP N 40 6.086 0.075 6.988 1.00 1.50 N ATOM 2781 CA ASP N 40 5.335 1.318 7.151 1.00 1.64 C ATOM 2782 C ASP N 40 4.565 1.637 5.866 1.00 1.69 C ATOM 2783 O ASP N 40 4.252 0.743 5.085 1.00 2.32 O ATOM 2784 CB ASP N 40 6.295 2.464 7.499 1.00 1.80 C ATOM 2785 CG ASP N 40 5.619 3.602 8.247 1.00 2.15 C ATOM 2786 OD1 ASP N 40 5.055 4.505 7.589 1.00 2.70 O ATOM 2787 OD2 ASP N 40 5.654 3.604 9.495 1.00 2.55 O ATOM 0 H ASP N 40 7.047 0.205 6.673 1.00 1.50 H new ATOM 0 HA ASP N 40 4.619 1.201 7.965 1.00 1.64 H new ATOM 0 HB2 ASP N 40 7.113 2.074 8.105 1.00 1.80 H new ATOM 0 HB3 ASP N 40 6.736 2.852 6.581 1.00 1.80 H new ATOM 2792 N GLY N 41 4.253 2.907 5.662 1.00 1.78 N ATOM 2793 CA GLY N 41 3.536 3.330 4.476 1.00 1.95 C ATOM 2794 C GLY N 41 3.896 4.751 4.099 1.00 1.88 C ATOM 2795 O GLY N 41 3.919 5.112 2.921 1.00 2.33 O ATOM 0 H GLY N 41 4.487 3.663 6.306 1.00 1.78 H new ATOM 0 HA2 GLY N 41 3.770 2.661 3.648 1.00 1.95 H new ATOM 0 HA3 GLY N 41 2.463 3.258 4.651 1.00 1.95 H new ATOM 2799 N ASN N 42 4.189 5.558 5.114 1.00 1.61 N ATOM 2800 CA ASN N 42 4.566 6.951 4.908 1.00 1.70 C ATOM 2801 C ASN N 42 6.068 7.049 4.665 1.00 1.66 C ATOM 2802 O ASN N 42 6.570 8.052 4.156 1.00 2.00 O ATOM 2803 CB ASN N 42 4.176 7.807 6.124 1.00 1.82 C ATOM 2804 CG ASN N 42 2.688 8.128 6.187 1.00 2.19 C ATOM 2805 OD1 ASN N 42 2.101 8.634 5.224 1.00 2.72 O ATOM 2806 ND2 ASN N 42 2.069 7.832 7.323 1.00 2.58 N ATOM 0 H ASN N 42 4.172 5.269 6.092 1.00 1.61 H new ATOM 0 HA ASN N 42 4.032 7.329 4.036 1.00 1.70 H new ATOM 0 HB2 ASN N 42 4.466 7.284 7.035 1.00 1.82 H new ATOM 0 HB3 ASN N 42 4.740 8.739 6.099 1.00 1.82 H new ATOM 0 HD21 ASN N 42 1.072 8.021 7.425 1.00 2.58 H new ATOM 0 HD22 ASN N 42 2.590 7.415 8.094 1.00 2.58 H new ATOM 2813 N CYS N 43 6.781 5.987 5.021 1.00 1.53 N ATOM 2814 CA CYS N 43 8.228 5.941 4.847 1.00 1.65 C ATOM 2815 C CYS N 43 8.631 4.867 3.844 1.00 1.47 C ATOM 2816 O CYS N 43 9.613 4.148 4.050 1.00 1.66 O ATOM 2817 CB CYS N 43 8.918 5.677 6.186 1.00 1.93 C ATOM 2818 SG CYS N 43 9.206 7.165 7.196 1.00 2.43 S ATOM 0 H CYS N 43 6.380 5.144 5.433 1.00 1.53 H new ATOM 0 HA CYS N 43 8.545 6.910 4.461 1.00 1.65 H new ATOM 0 HB2 CYS N 43 8.312 4.976 6.760 1.00 1.93 H new ATOM 0 HB3 CYS N 43 9.875 5.191 5.997 1.00 1.93 H new ATOM 2823 N GLN N 44 7.874 4.757 2.762 1.00 1.37 N ATOM 2824 CA GLN N 44 8.167 3.772 1.730 1.00 1.32 C ATOM 2825 C GLN N 44 9.230 4.298 0.779 1.00 1.32 C ATOM 2826 O GLN N 44 9.269 5.491 0.478 1.00 1.40 O ATOM 2827 CB GLN N 44 6.910 3.421 0.936 1.00 1.41 C ATOM 2828 CG GLN N 44 7.111 2.243 -0.012 1.00 1.41 C ATOM 2829 CD GLN N 44 6.396 2.420 -1.335 1.00 1.56 C ATOM 2830 OE1 GLN N 44 6.194 3.538 -1.796 1.00 2.09 O ATOM 2831 NE2 GLN N 44 6.015 1.316 -1.959 1.00 2.02 N ATOM 0 H GLN N 44 7.055 5.335 2.576 1.00 1.37 H new ATOM 0 HA GLN N 44 8.535 2.873 2.225 1.00 1.32 H new ATOM 0 HB2 GLN N 44 6.102 3.188 1.630 1.00 1.41 H new ATOM 0 HB3 GLN N 44 6.595 4.292 0.362 1.00 1.41 H new ATOM 0 HG2 GLN N 44 8.177 2.110 -0.196 1.00 1.41 H new ATOM 0 HG3 GLN N 44 6.754 1.332 0.469 1.00 1.41 H new ATOM 0 HE21 GLN N 44 6.202 0.404 -1.542 1.00 2.02 H new ATOM 0 HE22 GLN N 44 5.535 1.377 -2.857 1.00 2.02 H new ATOM 2840 N ILE N 45 10.093 3.409 0.317 1.00 1.26 N ATOM 2841 CA ILE N 45 11.140 3.783 -0.612 1.00 1.30 C ATOM 2842 C ILE N 45 10.662 3.561 -2.036 1.00 1.25 C ATOM 2843 O ILE N 45 10.657 4.485 -2.848 1.00 1.33 O ATOM 2844 CB ILE N 45 12.434 2.978 -0.380 1.00 1.29 C ATOM 2845 CG1 ILE N 45 12.938 3.174 1.050 1.00 1.37 C ATOM 2846 CG2 ILE N 45 13.507 3.389 -1.380 1.00 1.43 C ATOM 2847 CD1 ILE N 45 14.121 2.297 1.397 1.00 1.43 C ATOM 0 H ILE N 45 10.087 2.421 0.572 1.00 1.26 H new ATOM 0 HA ILE N 45 11.365 4.836 -0.446 1.00 1.30 H new ATOM 0 HB ILE N 45 12.210 1.921 -0.527 1.00 1.29 H new ATOM 0 HG12 ILE N 45 13.217 4.219 1.189 1.00 1.37 H new ATOM 0 HG13 ILE N 45 12.125 2.966 1.745 1.00 1.37 H new ATOM 0 HG21 ILE N 45 14.413 2.810 -1.200 1.00 1.43 H new ATOM 0 HG22 ILE N 45 13.151 3.201 -2.393 1.00 1.43 H new ATOM 0 HG23 ILE N 45 13.726 4.450 -1.263 1.00 1.43 H new ATOM 0 HD11 ILE N 45 14.426 2.488 2.426 1.00 1.43 H new ATOM 0 HD12 ILE N 45 13.841 1.249 1.290 1.00 1.43 H new ATOM 0 HD13 ILE N 45 14.950 2.521 0.725 1.00 1.43 H new ATOM 2859 N ILE N 46 10.221 2.339 -2.332 1.00 1.14 N ATOM 2860 CA ILE N 46 9.757 2.034 -3.681 1.00 1.12 C ATOM 2861 C ILE N 46 8.943 0.737 -3.741 1.00 1.05 C ATOM 2862 O ILE N 46 9.165 -0.192 -2.959 1.00 1.02 O ATOM 2863 CB ILE N 46 10.955 1.943 -4.667 1.00 1.16 C ATOM 2864 CG1 ILE N 46 10.465 1.816 -6.115 1.00 1.20 C ATOM 2865 CG2 ILE N 46 11.867 0.777 -4.302 1.00 1.13 C ATOM 2866 CD1 ILE N 46 11.577 1.851 -7.143 1.00 1.30 C ATOM 0 H ILE N 46 10.176 1.562 -1.673 1.00 1.14 H new ATOM 0 HA ILE N 46 9.101 2.853 -3.977 1.00 1.12 H new ATOM 0 HB ILE N 46 11.530 2.865 -4.585 1.00 1.16 H new ATOM 0 HG12 ILE N 46 9.914 0.882 -6.221 1.00 1.20 H new ATOM 0 HG13 ILE N 46 9.765 2.625 -6.324 1.00 1.20 H new ATOM 0 HG21 ILE N 46 12.699 0.732 -5.005 1.00 1.13 H new ATOM 0 HG22 ILE N 46 12.252 0.919 -3.292 1.00 1.13 H new ATOM 0 HG23 ILE N 46 11.303 -0.154 -4.347 1.00 1.13 H new ATOM 0 HD11 ILE N 46 11.152 1.756 -8.142 1.00 1.30 H new ATOM 0 HD12 ILE N 46 12.114 2.796 -7.066 1.00 1.30 H new ATOM 0 HD13 ILE N 46 12.266 1.026 -6.962 1.00 1.30 H new ATOM 2878 N GLY N 47 7.981 0.706 -4.658 1.00 1.07 N ATOM 2879 CA GLY N 47 7.154 -0.470 -4.858 1.00 1.06 C ATOM 2880 C GLY N 47 7.294 -0.978 -6.279 1.00 1.13 C ATOM 2881 O GLY N 47 7.258 -0.190 -7.223 1.00 1.32 O ATOM 0 H GLY N 47 7.758 1.487 -5.275 1.00 1.07 H new ATOM 0 HA2 GLY N 47 7.445 -1.251 -4.155 1.00 1.06 H new ATOM 0 HA3 GLY N 47 6.111 -0.229 -4.652 1.00 1.06 H new ATOM 2885 N TYR N 48 7.458 -2.282 -6.442 1.00 1.10 N ATOM 2886 CA TYR N 48 7.640 -2.863 -7.766 1.00 1.20 C ATOM 2887 C TYR N 48 6.695 -4.037 -8.023 1.00 1.26 C ATOM 2888 O TYR N 48 6.808 -5.092 -7.396 1.00 1.27 O ATOM 2889 CB TYR N 48 9.095 -3.321 -7.923 1.00 1.20 C ATOM 2890 CG TYR N 48 9.401 -4.008 -9.240 1.00 1.31 C ATOM 2891 CD1 TYR N 48 9.562 -3.277 -10.409 1.00 1.42 C ATOM 2892 CD2 TYR N 48 9.539 -5.390 -9.310 1.00 1.38 C ATOM 2893 CE1 TYR N 48 9.850 -3.901 -11.608 1.00 1.56 C ATOM 2894 CE2 TYR N 48 9.825 -6.020 -10.505 1.00 1.51 C ATOM 2895 CZ TYR N 48 9.981 -5.272 -11.650 1.00 1.59 C ATOM 2896 OH TYR N 48 10.272 -5.895 -12.840 1.00 1.76 O ATOM 0 H TYR N 48 7.469 -2.957 -5.678 1.00 1.10 H new ATOM 0 HA TYR N 48 7.403 -2.094 -8.501 1.00 1.20 H new ATOM 0 HB2 TYR N 48 9.748 -2.455 -7.820 1.00 1.20 H new ATOM 0 HB3 TYR N 48 9.338 -4.002 -7.108 1.00 1.20 H new ATOM 0 HD1 TYR N 48 9.460 -2.202 -10.381 1.00 1.42 H new ATOM 0 HD2 TYR N 48 9.420 -5.981 -8.414 1.00 1.38 H new ATOM 0 HE1 TYR N 48 9.972 -3.317 -12.508 1.00 1.56 H new ATOM 0 HE2 TYR N 48 9.926 -7.095 -10.541 1.00 1.51 H new ATOM 0 HH TYR N 48 10.331 -6.863 -12.697 1.00 1.76 H new ATOM 2906 N VAL N 49 5.766 -3.841 -8.950 1.00 1.36 N ATOM 2907 CA VAL N 49 4.822 -4.885 -9.336 1.00 1.48 C ATOM 2908 C VAL N 49 5.414 -5.665 -10.506 1.00 1.55 C ATOM 2909 O VAL N 49 5.448 -5.174 -11.630 1.00 1.64 O ATOM 2910 CB VAL N 49 3.452 -4.295 -9.743 1.00 1.61 C ATOM 2911 CG1 VAL N 49 2.468 -5.400 -10.102 1.00 1.76 C ATOM 2912 CG2 VAL N 49 2.892 -3.423 -8.629 1.00 1.56 C ATOM 0 H VAL N 49 5.645 -2.962 -9.453 1.00 1.36 H new ATOM 0 HA VAL N 49 4.656 -5.540 -8.480 1.00 1.48 H new ATOM 0 HB VAL N 49 3.601 -3.674 -10.626 1.00 1.61 H new ATOM 0 HG11 VAL N 49 1.512 -4.958 -10.385 1.00 1.76 H new ATOM 0 HG12 VAL N 49 2.861 -5.980 -10.937 1.00 1.76 H new ATOM 0 HG13 VAL N 49 2.325 -6.054 -9.242 1.00 1.76 H new ATOM 0 HG21 VAL N 49 1.928 -3.017 -8.935 1.00 1.56 H new ATOM 0 HG22 VAL N 49 2.764 -4.022 -7.727 1.00 1.56 H new ATOM 0 HG23 VAL N 49 3.582 -2.604 -8.426 1.00 1.56 H new ATOM 2922 N ILE N 50 5.886 -6.872 -10.226 1.00 1.57 N ATOM 2923 CA ILE N 50 6.532 -7.724 -11.230 1.00 1.65 C ATOM 2924 C ILE N 50 5.631 -8.031 -12.427 1.00 1.82 C ATOM 2925 O ILE N 50 6.064 -7.903 -13.573 1.00 1.90 O ATOM 2926 CB ILE N 50 6.997 -9.066 -10.618 1.00 1.67 C ATOM 2927 CG1 ILE N 50 7.395 -8.890 -9.151 1.00 1.55 C ATOM 2928 CG2 ILE N 50 8.163 -9.634 -11.415 1.00 1.80 C ATOM 2929 CD1 ILE N 50 6.309 -9.289 -8.174 1.00 1.63 C ATOM 0 H ILE N 50 5.835 -7.293 -9.298 1.00 1.57 H new ATOM 0 HA ILE N 50 7.390 -7.150 -11.580 1.00 1.65 H new ATOM 0 HB ILE N 50 6.163 -9.767 -10.663 1.00 1.67 H new ATOM 0 HG12 ILE N 50 8.287 -9.484 -8.952 1.00 1.55 H new ATOM 0 HG13 ILE N 50 7.662 -7.847 -8.979 1.00 1.55 H new ATOM 0 HG21 ILE N 50 8.480 -10.579 -10.973 1.00 1.80 H new ATOM 0 HG22 ILE N 50 7.851 -9.802 -12.446 1.00 1.80 H new ATOM 0 HG23 ILE N 50 8.994 -8.928 -11.398 1.00 1.80 H new ATOM 0 HD11 ILE N 50 6.663 -9.137 -7.154 1.00 1.63 H new ATOM 0 HD12 ILE N 50 5.423 -8.678 -8.345 1.00 1.63 H new ATOM 0 HD13 ILE N 50 6.058 -10.340 -8.318 1.00 1.63 H new ATOM 2941 N GLY N 51 4.387 -8.413 -12.149 1.00 1.90 N ATOM 2942 CA GLY N 51 3.432 -8.776 -13.194 1.00 2.08 C ATOM 2943 C GLY N 51 3.407 -7.839 -14.393 1.00 2.13 C ATOM 2944 O GLY N 51 3.363 -8.293 -15.537 1.00 2.31 O ATOM 0 H GLY N 51 4.014 -8.480 -11.202 1.00 1.90 H new ATOM 0 HA2 GLY N 51 3.663 -9.783 -13.543 1.00 2.08 H new ATOM 0 HA3 GLY N 51 2.434 -8.811 -12.758 1.00 2.08 H new ATOM 2948 N THR N 52 3.426 -6.541 -14.146 1.00 2.05 N ATOM 2949 CA THR N 52 3.396 -5.569 -15.231 1.00 2.14 C ATOM 2950 C THR N 52 4.633 -4.681 -15.220 1.00 2.02 C ATOM 2951 O THR N 52 4.720 -3.719 -15.983 1.00 2.10 O ATOM 2952 CB THR N 52 2.145 -4.684 -15.118 1.00 2.19 C ATOM 2953 OG1 THR N 52 1.745 -4.595 -13.743 1.00 2.14 O ATOM 2954 CG2 THR N 52 1.006 -5.246 -15.953 1.00 2.53 C ATOM 0 H THR N 52 3.462 -6.135 -13.211 1.00 2.05 H new ATOM 0 HA THR N 52 3.375 -6.127 -16.167 1.00 2.14 H new ATOM 0 HB THR N 52 2.386 -3.690 -15.495 1.00 2.19 H new ATOM 0 HG1 THR N 52 1.312 -3.731 -13.584 1.00 2.14 H new ATOM 0 HG21 THR N 52 0.132 -4.602 -15.856 1.00 2.53 H new ATOM 0 HG22 THR N 52 1.310 -5.291 -16.999 1.00 2.53 H new ATOM 0 HG23 THR N 52 0.759 -6.248 -15.603 1.00 2.53 H new ATOM 2962 N GLN N 53 5.588 -5.018 -14.353 1.00 1.89 N ATOM 2963 CA GLN N 53 6.820 -4.242 -14.202 1.00 1.82 C ATOM 2964 C GLN N 53 6.488 -2.808 -13.786 1.00 1.74 C ATOM 2965 O GLN N 53 7.251 -1.872 -14.039 1.00 1.83 O ATOM 2966 CB GLN N 53 7.646 -4.250 -15.495 1.00 2.04 C ATOM 2967 CG GLN N 53 8.366 -5.566 -15.758 1.00 2.17 C ATOM 2968 CD GLN N 53 7.657 -6.431 -16.780 1.00 2.39 C ATOM 2969 OE1 GLN N 53 7.864 -6.279 -17.984 1.00 2.66 O ATOM 2970 NE2 GLN N 53 6.831 -7.354 -16.313 1.00 2.92 N ATOM 0 H GLN N 53 5.531 -5.831 -13.739 1.00 1.89 H new ATOM 0 HA GLN N 53 7.422 -4.708 -13.422 1.00 1.82 H new ATOM 0 HB2 GLN N 53 6.988 -4.032 -16.336 1.00 2.04 H new ATOM 0 HB3 GLN N 53 8.382 -3.447 -15.450 1.00 2.04 H new ATOM 0 HG2 GLN N 53 9.378 -5.358 -16.105 1.00 2.17 H new ATOM 0 HG3 GLN N 53 8.457 -6.118 -14.823 1.00 2.17 H new ATOM 0 HE21 GLN N 53 6.687 -7.448 -15.308 1.00 2.92 H new ATOM 0 HE22 GLN N 53 6.339 -7.972 -16.959 1.00 2.92 H new ATOM 2979 N CYS N 54 5.341 -2.658 -13.130 1.00 1.65 N ATOM 2980 CA CYS N 54 4.859 -1.362 -12.675 1.00 1.61 C ATOM 2981 C CYS N 54 5.577 -0.943 -11.397 1.00 1.49 C ATOM 2982 O CYS N 54 5.274 -1.446 -10.316 1.00 1.49 O ATOM 2983 CB CYS N 54 3.344 -1.436 -12.425 1.00 1.67 C ATOM 2984 SG CYS N 54 2.395 0.025 -12.965 1.00 1.85 S ATOM 0 H CYS N 54 4.720 -3.434 -12.900 1.00 1.65 H new ATOM 0 HA CYS N 54 5.064 -0.619 -13.446 1.00 1.61 H new ATOM 0 HB2 CYS N 54 2.950 -2.314 -12.936 1.00 1.67 H new ATOM 0 HB3 CYS N 54 3.175 -1.585 -11.359 1.00 1.67 H new ATOM 2989 N ALA N 55 6.538 -0.040 -11.524 1.00 1.45 N ATOM 2990 CA ALA N 55 7.287 0.439 -10.375 1.00 1.37 C ATOM 2991 C ALA N 55 6.840 1.843 -10.001 1.00 1.37 C ATOM 2992 O ALA N 55 6.761 2.726 -10.857 1.00 1.48 O ATOM 2993 CB ALA N 55 8.780 0.420 -10.665 1.00 1.40 C ATOM 0 H ALA N 55 6.817 0.375 -12.413 1.00 1.45 H new ATOM 0 HA ALA N 55 7.090 -0.226 -9.534 1.00 1.37 H new ATOM 0 HB1 ALA N 55 9.325 0.782 -9.793 1.00 1.40 H new ATOM 0 HB2 ALA N 55 9.094 -0.599 -10.891 1.00 1.40 H new ATOM 0 HB3 ALA N 55 8.993 1.063 -11.519 1.00 1.40 H new ATOM 2999 N THR N 56 6.530 2.045 -8.735 1.00 1.34 N ATOM 3000 CA THR N 56 6.096 3.346 -8.258 1.00 1.38 C ATOM 3001 C THR N 56 6.991 3.816 -7.110 1.00 1.34 C ATOM 3002 O THR N 56 7.193 3.089 -6.134 1.00 1.26 O ATOM 3003 CB THR N 56 4.627 3.310 -7.791 1.00 1.40 C ATOM 3004 OG1 THR N 56 3.891 2.332 -8.544 1.00 1.77 O ATOM 3005 CG2 THR N 56 3.974 4.674 -7.967 1.00 1.64 C ATOM 0 H THR N 56 6.570 1.323 -8.015 1.00 1.34 H new ATOM 0 HA THR N 56 6.175 4.047 -9.089 1.00 1.38 H new ATOM 0 HB THR N 56 4.614 3.042 -6.734 1.00 1.40 H new ATOM 0 HG1 THR N 56 3.259 2.786 -9.140 1.00 1.77 H new ATOM 0 HG21 THR N 56 2.938 4.627 -7.632 1.00 1.64 H new ATOM 0 HG22 THR N 56 4.513 5.415 -7.377 1.00 1.64 H new ATOM 0 HG23 THR N 56 4.002 4.958 -9.019 1.00 1.64 H new ATOM 3013 N PRO N 57 7.560 5.024 -7.228 1.00 1.46 N ATOM 3014 CA PRO N 57 8.441 5.591 -6.200 1.00 1.49 C ATOM 3015 C PRO N 57 7.687 6.028 -4.947 1.00 1.50 C ATOM 3016 O PRO N 57 6.539 6.470 -5.019 1.00 1.58 O ATOM 3017 CB PRO N 57 9.053 6.807 -6.896 1.00 1.68 C ATOM 3018 CG PRO N 57 8.043 7.210 -7.910 1.00 1.80 C ATOM 3019 CD PRO N 57 7.396 5.934 -8.378 1.00 1.62 C ATOM 0 HA PRO N 57 9.170 4.861 -5.849 1.00 1.49 H new ATOM 0 HB2 PRO N 57 9.246 7.613 -6.188 1.00 1.68 H new ATOM 0 HB3 PRO N 57 10.006 6.558 -7.363 1.00 1.68 H new ATOM 0 HG2 PRO N 57 7.305 7.887 -7.479 1.00 1.80 H new ATOM 0 HG3 PRO N 57 8.512 7.737 -8.741 1.00 1.80 H new ATOM 0 HD2 PRO N 57 6.345 6.084 -8.625 1.00 1.62 H new ATOM 0 HD3 PRO N 57 7.881 5.542 -9.272 1.00 1.62 H new ATOM 3027 N GLY N 58 8.340 5.896 -3.801 1.00 1.45 N ATOM 3028 CA GLY N 58 7.734 6.292 -2.549 1.00 1.48 C ATOM 3029 C GLY N 58 8.307 7.599 -2.040 1.00 1.62 C ATOM 3030 O GLY N 58 9.153 8.204 -2.705 1.00 1.69 O ATOM 0 H GLY N 58 9.284 5.519 -3.718 1.00 1.45 H new ATOM 0 HA2 GLY N 58 6.657 6.394 -2.682 1.00 1.48 H new ATOM 0 HA3 GLY N 58 7.891 5.511 -1.805 1.00 1.48 H new ATOM 3034 N PRO N 59 7.869 8.065 -0.862 1.00 1.67 N ATOM 3035 CA PRO N 59 8.352 9.321 -0.274 1.00 1.83 C ATOM 3036 C PRO N 59 9.847 9.293 0.040 1.00 1.85 C ATOM 3037 O PRO N 59 10.514 10.327 0.010 1.00 2.00 O ATOM 3038 CB PRO N 59 7.547 9.453 1.024 1.00 1.85 C ATOM 3039 CG PRO N 59 6.381 8.540 0.858 1.00 1.77 C ATOM 3040 CD PRO N 59 6.854 7.417 -0.018 1.00 1.63 C ATOM 0 HA PRO N 59 8.220 10.155 -0.964 1.00 1.83 H new ATOM 0 HB2 PRO N 59 8.147 9.171 1.889 1.00 1.85 H new ATOM 0 HB3 PRO N 59 7.222 10.481 1.182 1.00 1.85 H new ATOM 0 HG2 PRO N 59 6.039 8.165 1.823 1.00 1.77 H new ATOM 0 HG3 PRO N 59 5.539 9.062 0.403 1.00 1.77 H new ATOM 0 HD2 PRO N 59 7.276 6.599 0.566 1.00 1.63 H new ATOM 0 HD3 PRO N 59 6.042 6.998 -0.612 1.00 1.63 H new ATOM 3048 N ALA N 60 10.370 8.106 0.324 1.00 1.73 N ATOM 3049 CA ALA N 60 11.781 7.954 0.661 1.00 1.78 C ATOM 3050 C ALA N 60 12.624 7.605 -0.563 1.00 1.78 C ATOM 3051 O ALA N 60 13.808 7.294 -0.438 1.00 1.84 O ATOM 3052 CB ALA N 60 11.950 6.900 1.746 1.00 1.70 C ATOM 0 H ALA N 60 9.839 7.235 0.328 1.00 1.73 H new ATOM 0 HA ALA N 60 12.138 8.913 1.037 1.00 1.78 H new ATOM 0 HB1 ALA N 60 13.007 6.795 1.990 1.00 1.70 H new ATOM 0 HB2 ALA N 60 11.401 7.204 2.637 1.00 1.70 H new ATOM 0 HB3 ALA N 60 11.563 5.945 1.389 1.00 1.70 H new ATOM 3058 N TYR N 61 12.021 7.672 -1.742 1.00 1.75 N ATOM 3059 CA TYR N 61 12.732 7.370 -2.981 1.00 1.76 C ATOM 3060 C TYR N 61 13.669 8.520 -3.337 1.00 1.94 C ATOM 3061 O TYR N 61 13.218 9.640 -3.584 1.00 2.04 O ATOM 3062 CB TYR N 61 11.731 7.134 -4.115 1.00 1.71 C ATOM 3063 CG TYR N 61 12.360 6.770 -5.445 1.00 1.73 C ATOM 3064 CD1 TYR N 61 12.884 5.502 -5.668 1.00 1.65 C ATOM 3065 CD2 TYR N 61 12.418 7.693 -6.483 1.00 1.86 C ATOM 3066 CE1 TYR N 61 13.446 5.167 -6.885 1.00 1.70 C ATOM 3067 CE2 TYR N 61 12.979 7.363 -7.701 1.00 1.91 C ATOM 3068 CZ TYR N 61 13.492 6.100 -7.896 1.00 1.82 C ATOM 3069 OH TYR N 61 14.049 5.767 -9.109 1.00 1.90 O ATOM 0 H TYR N 61 11.043 7.932 -1.869 1.00 1.75 H new ATOM 0 HA TYR N 61 13.323 6.465 -2.840 1.00 1.76 H new ATOM 0 HB2 TYR N 61 11.049 6.337 -3.820 1.00 1.71 H new ATOM 0 HB3 TYR N 61 11.131 8.035 -4.246 1.00 1.71 H new ATOM 0 HD1 TYR N 61 12.851 4.767 -4.877 1.00 1.65 H new ATOM 0 HD2 TYR N 61 12.018 8.685 -6.334 1.00 1.86 H new ATOM 0 HE1 TYR N 61 13.848 4.177 -7.042 1.00 1.70 H new ATOM 0 HE2 TYR N 61 13.015 8.092 -8.497 1.00 1.91 H new ATOM 0 HH TYR N 61 14.002 6.537 -9.713 1.00 1.90 H new ATOM 3079 N SER N 62 14.966 8.249 -3.349 1.00 2.00 N ATOM 3080 CA SER N 62 15.950 9.274 -3.666 1.00 2.18 C ATOM 3081 C SER N 62 16.262 9.294 -5.159 1.00 2.22 C ATOM 3082 O SER N 62 16.549 10.349 -5.730 1.00 2.39 O ATOM 3083 CB SER N 62 17.231 9.055 -2.850 1.00 2.24 C ATOM 3084 OG SER N 62 17.728 7.730 -2.997 1.00 2.14 O ATOM 0 H SER N 62 15.361 7.331 -3.144 1.00 2.00 H new ATOM 0 HA SER N 62 15.528 10.243 -3.400 1.00 2.18 H new ATOM 0 HB2 SER N 62 17.992 9.767 -3.169 1.00 2.24 H new ATOM 0 HB3 SER N 62 17.030 9.254 -1.797 1.00 2.24 H new ATOM 0 HG SER N 62 17.141 7.106 -2.521 1.00 2.14 H new ATOM 3090 N GLY N 63 16.196 8.133 -5.789 1.00 2.10 N ATOM 3091 CA GLY N 63 16.480 8.042 -7.205 1.00 2.16 C ATOM 3092 C GLY N 63 17.738 7.250 -7.475 1.00 2.18 C ATOM 3093 O GLY N 63 18.233 7.215 -8.599 1.00 2.29 O ATOM 0 H GLY N 63 15.950 7.249 -5.344 1.00 2.10 H new ATOM 0 HA2 GLY N 63 15.639 7.573 -7.715 1.00 2.16 H new ATOM 0 HA3 GLY N 63 16.586 9.044 -7.620 1.00 2.16 H new ATOM 3097 N ARG N 64 18.251 6.616 -6.433 1.00 2.10 N ATOM 3098 CA ARG N 64 19.459 5.809 -6.534 1.00 2.13 C ATOM 3099 C ARG N 64 19.109 4.346 -6.325 1.00 1.98 C ATOM 3100 O ARG N 64 19.972 3.470 -6.373 1.00 2.00 O ATOM 3101 CB ARG N 64 20.475 6.233 -5.471 1.00 2.24 C ATOM 3102 CG ARG N 64 20.625 7.735 -5.306 1.00 2.40 C ATOM 3103 CD ARG N 64 21.270 8.078 -3.969 1.00 2.47 C ATOM 3104 NE ARG N 64 20.456 7.623 -2.840 1.00 2.36 N ATOM 3105 CZ ARG N 64 20.953 7.145 -1.698 1.00 2.37 C ATOM 3106 NH1 ARG N 64 22.263 7.073 -1.513 1.00 2.49 N ATOM 3107 NH2 ARG N 64 20.134 6.741 -0.736 1.00 2.29 N ATOM 0 H ARG N 64 17.845 6.645 -5.498 1.00 2.10 H new ATOM 0 HA ARG N 64 19.894 5.954 -7.523 1.00 2.13 H new ATOM 0 HB2 ARG N 64 20.181 5.803 -4.514 1.00 2.24 H new ATOM 0 HB3 ARG N 64 21.446 5.810 -5.726 1.00 2.24 H new ATOM 0 HG2 ARG N 64 21.231 8.135 -6.119 1.00 2.40 H new ATOM 0 HG3 ARG N 64 19.647 8.211 -5.374 1.00 2.40 H new ATOM 0 HD2 ARG N 64 22.257 7.619 -3.913 1.00 2.47 H new ATOM 0 HD3 ARG N 64 21.415 9.156 -3.901 1.00 2.47 H new ATOM 0 HE ARG N 64 19.442 7.675 -2.933 1.00 2.36 H new ATOM 0 HH11 ARG N 64 22.900 7.384 -2.247 1.00 2.49 H new ATOM 0 HH12 ARG N 64 22.635 6.706 -0.637 1.00 2.49 H new ATOM 0 HH21 ARG N 64 19.124 6.796 -0.869 1.00 2.29 H new ATOM 0 HH22 ARG N 64 20.514 6.375 0.137 1.00 2.29 H new ATOM 3121 N GLU N 65 17.833 4.105 -6.079 1.00 1.85 N ATOM 3122 CA GLU N 65 17.325 2.774 -5.818 1.00 1.70 C ATOM 3123 C GLU N 65 16.960 2.044 -7.106 1.00 1.65 C ATOM 3124 O GLU N 65 16.084 2.476 -7.861 1.00 1.64 O ATOM 3125 CB GLU N 65 16.100 2.857 -4.898 1.00 1.60 C ATOM 3126 CG GLU N 65 16.344 3.640 -3.612 1.00 1.68 C ATOM 3127 CD GLU N 65 16.095 5.134 -3.758 1.00 1.78 C ATOM 3128 OE1 GLU N 65 16.011 5.630 -4.900 1.00 1.83 O ATOM 3129 OE2 GLU N 65 15.999 5.829 -2.728 1.00 1.84 O ATOM 0 H GLU N 65 17.118 4.832 -6.055 1.00 1.85 H new ATOM 0 HA GLU N 65 18.116 2.205 -5.329 1.00 1.70 H new ATOM 0 HB2 GLU N 65 15.279 3.321 -5.444 1.00 1.60 H new ATOM 0 HB3 GLU N 65 15.781 1.847 -4.642 1.00 1.60 H new ATOM 0 HG2 GLU N 65 15.698 3.246 -2.827 1.00 1.68 H new ATOM 0 HG3 GLU N 65 17.372 3.480 -3.288 1.00 1.68 H new ATOM 3136 N ILE N 66 17.660 0.952 -7.359 1.00 1.67 N ATOM 3137 CA ILE N 66 17.410 0.121 -8.526 1.00 1.65 C ATOM 3138 C ILE N 66 16.859 -1.227 -8.071 1.00 1.51 C ATOM 3139 O ILE N 66 17.556 -1.995 -7.405 1.00 1.51 O ATOM 3140 CB ILE N 66 18.697 -0.095 -9.351 1.00 1.78 C ATOM 3141 CG1 ILE N 66 19.305 1.254 -9.753 1.00 2.04 C ATOM 3142 CG2 ILE N 66 18.406 -0.938 -10.583 1.00 1.80 C ATOM 3143 CD1 ILE N 66 20.763 1.168 -10.148 1.00 2.18 C ATOM 0 H ILE N 66 18.417 0.616 -6.763 1.00 1.67 H new ATOM 0 HA ILE N 66 16.686 0.629 -9.163 1.00 1.65 H new ATOM 0 HB ILE N 66 19.419 -0.630 -8.733 1.00 1.78 H new ATOM 0 HG12 ILE N 66 18.735 1.666 -10.586 1.00 2.04 H new ATOM 0 HG13 ILE N 66 19.203 1.951 -8.921 1.00 2.04 H new ATOM 0 HG21 ILE N 66 19.325 -1.080 -11.152 1.00 1.80 H new ATOM 0 HG22 ILE N 66 18.016 -1.908 -10.276 1.00 1.80 H new ATOM 0 HG23 ILE N 66 17.668 -0.431 -11.205 1.00 1.80 H new ATOM 0 HD11 ILE N 66 21.125 2.159 -10.420 1.00 2.18 H new ATOM 0 HD12 ILE N 66 21.345 0.786 -9.309 1.00 2.18 H new ATOM 0 HD13 ILE N 66 20.870 0.496 -11.000 1.00 2.18 H new ATOM 3155 N ILE N 67 15.610 -1.506 -8.417 1.00 1.43 N ATOM 3156 CA ILE N 67 14.966 -2.750 -8.012 1.00 1.32 C ATOM 3157 C ILE N 67 15.032 -3.801 -9.124 1.00 1.37 C ATOM 3158 O ILE N 67 14.938 -3.480 -10.311 1.00 1.46 O ATOM 3159 CB ILE N 67 13.493 -2.504 -7.591 1.00 1.25 C ATOM 3160 CG1 ILE N 67 12.828 -3.801 -7.120 1.00 1.17 C ATOM 3161 CG2 ILE N 67 12.700 -1.882 -8.732 1.00 1.35 C ATOM 3162 CD1 ILE N 67 13.338 -4.292 -5.784 1.00 1.13 C ATOM 0 H ILE N 67 15.022 -0.889 -8.977 1.00 1.43 H new ATOM 0 HA ILE N 67 15.513 -3.133 -7.150 1.00 1.32 H new ATOM 0 HB ILE N 67 13.500 -1.805 -6.755 1.00 1.25 H new ATOM 0 HG12 ILE N 67 11.751 -3.644 -7.053 1.00 1.17 H new ATOM 0 HG13 ILE N 67 12.991 -4.576 -7.869 1.00 1.17 H new ATOM 0 HG21 ILE N 67 11.671 -1.719 -8.413 1.00 1.35 H new ATOM 0 HG22 ILE N 67 13.149 -0.929 -9.010 1.00 1.35 H new ATOM 0 HG23 ILE N 67 12.712 -2.553 -9.591 1.00 1.35 H new ATOM 0 HD11 ILE N 67 12.823 -5.214 -5.514 1.00 1.13 H new ATOM 0 HD12 ILE N 67 14.409 -4.481 -5.851 1.00 1.13 H new ATOM 0 HD13 ILE N 67 13.150 -3.535 -5.022 1.00 1.13 H new ATOM 3174 N TYR N 68 15.227 -5.053 -8.731 1.00 1.36 N ATOM 3175 CA TYR N 68 15.300 -6.156 -9.679 1.00 1.43 C ATOM 3176 C TYR N 68 14.154 -7.137 -9.439 1.00 1.38 C ATOM 3177 O TYR N 68 13.562 -7.146 -8.359 1.00 1.29 O ATOM 3178 CB TYR N 68 16.646 -6.872 -9.551 1.00 1.50 C ATOM 3179 CG TYR N 68 17.831 -5.982 -9.829 1.00 1.63 C ATOM 3180 CD1 TYR N 68 18.156 -5.614 -11.127 1.00 1.79 C ATOM 3181 CD2 TYR N 68 18.624 -5.510 -8.793 1.00 1.67 C ATOM 3182 CE1 TYR N 68 19.240 -4.800 -11.386 1.00 1.94 C ATOM 3183 CE2 TYR N 68 19.709 -4.696 -9.043 1.00 1.81 C ATOM 3184 CZ TYR N 68 20.013 -4.344 -10.341 1.00 1.92 C ATOM 3185 OH TYR N 68 21.092 -3.533 -10.595 1.00 2.09 O ATOM 0 H TYR N 68 15.338 -5.331 -7.756 1.00 1.36 H new ATOM 0 HA TYR N 68 15.210 -5.756 -10.689 1.00 1.43 H new ATOM 0 HB2 TYR N 68 16.737 -7.280 -8.544 1.00 1.50 H new ATOM 0 HB3 TYR N 68 16.666 -7.716 -10.240 1.00 1.50 H new ATOM 0 HD1 TYR N 68 17.551 -5.970 -11.948 1.00 1.79 H new ATOM 0 HD2 TYR N 68 18.388 -5.784 -7.775 1.00 1.67 H new ATOM 0 HE1 TYR N 68 19.481 -4.522 -12.402 1.00 1.94 H new ATOM 0 HE2 TYR N 68 20.317 -4.336 -8.226 1.00 1.81 H new ATOM 0 HH TYR N 68 20.971 -2.674 -10.138 1.00 2.09 H new ATOM 3195 N PRO N 69 13.821 -7.975 -10.441 1.00 1.48 N ATOM 3196 CA PRO N 69 12.735 -8.966 -10.330 1.00 1.49 C ATOM 3197 C PRO N 69 12.963 -9.992 -9.215 1.00 1.45 C ATOM 3198 O PRO N 69 12.043 -10.714 -8.825 1.00 1.46 O ATOM 3199 CB PRO N 69 12.736 -9.662 -11.695 1.00 1.65 C ATOM 3200 CG PRO N 69 13.418 -8.707 -12.612 1.00 1.71 C ATOM 3201 CD PRO N 69 14.447 -8.006 -11.776 1.00 1.62 C ATOM 0 HA PRO N 69 11.791 -8.485 -10.076 1.00 1.49 H new ATOM 0 HB2 PRO N 69 13.264 -10.614 -11.652 1.00 1.65 H new ATOM 0 HB3 PRO N 69 11.721 -9.875 -12.030 1.00 1.65 H new ATOM 0 HG2 PRO N 69 13.883 -9.231 -13.447 1.00 1.71 H new ATOM 0 HG3 PRO N 69 12.708 -7.997 -13.036 1.00 1.71 H new ATOM 0 HD2 PRO N 69 15.394 -8.545 -11.766 1.00 1.62 H new ATOM 0 HD3 PRO N 69 14.655 -7.003 -12.148 1.00 1.62 H new ATOM 3209 N ASN N 70 14.184 -10.053 -8.702 1.00 1.46 N ATOM 3210 CA ASN N 70 14.516 -10.985 -7.628 1.00 1.48 C ATOM 3211 C ASN N 70 14.388 -10.295 -6.268 1.00 1.38 C ATOM 3212 O ASN N 70 14.884 -10.795 -5.258 1.00 1.43 O ATOM 3213 CB ASN N 70 15.926 -11.562 -7.820 1.00 1.60 C ATOM 3214 CG ASN N 70 17.025 -10.543 -7.586 1.00 1.61 C ATOM 3215 OD1 ASN N 70 16.811 -9.339 -7.715 1.00 1.54 O ATOM 3216 ND2 ASN N 70 18.216 -11.016 -7.258 1.00 1.78 N ATOM 0 H ASN N 70 14.962 -9.470 -9.010 1.00 1.46 H new ATOM 0 HA ASN N 70 13.810 -11.815 -7.661 1.00 1.48 H new ATOM 0 HB2 ASN N 70 16.065 -12.400 -7.137 1.00 1.60 H new ATOM 0 HB3 ASN N 70 16.015 -11.957 -8.832 1.00 1.60 H new ATOM 0 HD21 ASN N 70 18.994 -10.375 -7.103 1.00 1.78 H new ATOM 0 HD22 ASN N 70 18.356 -12.022 -7.160 1.00 1.78 H new ATOM 3223 N ALA N 71 13.743 -9.120 -6.282 1.00 1.28 N ATOM 3224 CA ALA N 71 13.479 -8.312 -5.084 1.00 1.21 C ATOM 3225 C ALA N 71 14.724 -7.608 -4.541 1.00 1.23 C ATOM 3226 O ALA N 71 14.629 -6.825 -3.593 1.00 1.20 O ATOM 3227 CB ALA N 71 12.820 -9.148 -3.994 1.00 1.23 C ATOM 0 H ALA N 71 13.385 -8.698 -7.139 1.00 1.28 H new ATOM 0 HA ALA N 71 12.790 -7.528 -5.397 1.00 1.21 H new ATOM 0 HB1 ALA N 71 12.636 -8.525 -3.119 1.00 1.23 H new ATOM 0 HB2 ALA N 71 11.874 -9.545 -4.362 1.00 1.23 H new ATOM 0 HB3 ALA N 71 13.478 -9.973 -3.720 1.00 1.23 H new ATOM 3233 N SER N 72 15.880 -7.867 -5.136 1.00 1.32 N ATOM 3234 CA SER N 72 17.115 -7.241 -4.684 1.00 1.40 C ATOM 3235 C SER N 72 17.129 -5.757 -5.037 1.00 1.37 C ATOM 3236 O SER N 72 16.605 -5.349 -6.081 1.00 1.34 O ATOM 3237 CB SER N 72 18.324 -7.955 -5.286 1.00 1.52 C ATOM 3238 OG SER N 72 18.325 -9.325 -4.914 1.00 1.67 O ATOM 0 H SER N 72 15.989 -8.502 -5.927 1.00 1.32 H new ATOM 0 HA SER N 72 17.170 -7.329 -3.599 1.00 1.40 H new ATOM 0 HB2 SER N 72 18.303 -7.866 -6.372 1.00 1.52 H new ATOM 0 HB3 SER N 72 19.243 -7.478 -4.945 1.00 1.52 H new ATOM 0 HG SER N 72 17.435 -9.576 -4.589 1.00 1.67 H new ATOM 3244 N LEU N 73 17.726 -4.954 -4.166 1.00 1.42 N ATOM 3245 CA LEU N 73 17.779 -3.515 -4.375 1.00 1.43 C ATOM 3246 C LEU N 73 19.216 -2.999 -4.424 1.00 1.58 C ATOM 3247 O LEU N 73 19.995 -3.178 -3.484 1.00 1.68 O ATOM 3248 CB LEU N 73 17.009 -2.797 -3.264 1.00 1.39 C ATOM 3249 CG LEU N 73 16.694 -1.322 -3.528 1.00 1.40 C ATOM 3250 CD1 LEU N 73 15.631 -1.181 -4.607 1.00 1.32 C ATOM 3251 CD2 LEU N 73 16.245 -0.638 -2.248 1.00 1.41 C ATOM 0 H LEU N 73 18.179 -5.275 -3.310 1.00 1.42 H new ATOM 0 HA LEU N 73 17.317 -3.305 -5.340 1.00 1.43 H new ATOM 0 HB2 LEU N 73 16.071 -3.326 -3.095 1.00 1.39 H new ATOM 0 HB3 LEU N 73 17.586 -2.868 -2.342 1.00 1.39 H new ATOM 0 HG LEU N 73 17.604 -0.837 -3.881 1.00 1.40 H new ATOM 0 HD11 LEU N 73 15.424 -0.125 -4.778 1.00 1.32 H new ATOM 0 HD12 LEU N 73 15.989 -1.634 -5.531 1.00 1.32 H new ATOM 0 HD13 LEU N 73 14.718 -1.683 -4.286 1.00 1.32 H new ATOM 0 HD21 LEU N 73 16.025 0.410 -2.453 1.00 1.41 H new ATOM 0 HD22 LEU N 73 15.349 -1.129 -1.868 1.00 1.41 H new ATOM 0 HD23 LEU N 73 17.038 -0.703 -1.503 1.00 1.41 H new ATOM 3263 N LEU N 74 19.564 -2.366 -5.529 1.00 1.64 N ATOM 3264 CA LEU N 74 20.889 -1.801 -5.692 1.00 1.79 C ATOM 3265 C LEU N 74 20.815 -0.292 -5.530 1.00 1.85 C ATOM 3266 O LEU N 74 20.165 0.389 -6.320 1.00 1.84 O ATOM 3267 CB LEU N 74 21.467 -2.151 -7.064 1.00 1.86 C ATOM 3268 CG LEU N 74 22.824 -1.515 -7.381 1.00 2.03 C ATOM 3269 CD1 LEU N 74 23.941 -2.235 -6.642 1.00 2.16 C ATOM 3270 CD2 LEU N 74 23.083 -1.526 -8.879 1.00 2.10 C ATOM 0 H LEU N 74 18.945 -2.230 -6.328 1.00 1.64 H new ATOM 0 HA LEU N 74 21.546 -2.222 -4.931 1.00 1.79 H new ATOM 0 HB2 LEU N 74 21.566 -3.234 -7.133 1.00 1.86 H new ATOM 0 HB3 LEU N 74 20.753 -1.847 -7.830 1.00 1.86 H new ATOM 0 HG LEU N 74 22.802 -0.479 -7.043 1.00 2.03 H new ATOM 0 HD11 LEU N 74 24.896 -1.767 -6.881 1.00 2.16 H new ATOM 0 HD12 LEU N 74 23.766 -2.173 -5.568 1.00 2.16 H new ATOM 0 HD13 LEU N 74 23.963 -3.281 -6.946 1.00 2.16 H new ATOM 0 HD21 LEU N 74 24.052 -1.070 -9.084 1.00 2.10 H new ATOM 0 HD22 LEU N 74 23.082 -2.554 -9.241 1.00 2.10 H new ATOM 0 HD23 LEU N 74 22.301 -0.962 -9.388 1.00 2.10 H new ATOM 3282 N ILE N 75 21.451 0.220 -4.495 1.00 1.93 N ATOM 3283 CA ILE N 75 21.447 1.651 -4.244 1.00 2.01 C ATOM 3284 C ILE N 75 22.808 2.239 -4.572 1.00 2.19 C ATOM 3285 O ILE N 75 23.818 1.844 -3.991 1.00 2.27 O ATOM 3286 CB ILE N 75 21.083 1.979 -2.780 1.00 2.00 C ATOM 3287 CG1 ILE N 75 19.882 1.145 -2.326 1.00 1.84 C ATOM 3288 CG2 ILE N 75 20.783 3.464 -2.636 1.00 2.07 C ATOM 3289 CD1 ILE N 75 19.605 1.239 -0.840 1.00 1.86 C ATOM 0 H ILE N 75 21.976 -0.330 -3.815 1.00 1.93 H new ATOM 0 HA ILE N 75 20.686 2.093 -4.886 1.00 2.01 H new ATOM 0 HB ILE N 75 21.933 1.730 -2.145 1.00 2.00 H new ATOM 0 HG12 ILE N 75 18.997 1.470 -2.873 1.00 1.84 H new ATOM 0 HG13 ILE N 75 20.055 0.102 -2.590 1.00 1.84 H new ATOM 0 HG21 ILE N 75 20.527 3.685 -1.600 1.00 2.07 H new ATOM 0 HG22 ILE N 75 21.661 4.042 -2.924 1.00 2.07 H new ATOM 0 HG23 ILE N 75 19.945 3.730 -3.281 1.00 2.07 H new ATOM 0 HD11 ILE N 75 18.741 0.623 -0.591 1.00 1.86 H new ATOM 0 HD12 ILE N 75 20.474 0.886 -0.285 1.00 1.86 H new ATOM 0 HD13 ILE N 75 19.400 2.276 -0.573 1.00 1.86 H new ATOM 3301 N GLN N 76 22.833 3.162 -5.521 1.00 2.26 N ATOM 3302 CA GLN N 76 24.073 3.802 -5.935 1.00 2.44 C ATOM 3303 C GLN N 76 24.250 5.137 -5.229 1.00 2.54 C ATOM 3304 O GLN N 76 23.312 5.642 -4.615 1.00 2.47 O ATOM 3305 CB GLN N 76 24.083 4.006 -7.449 1.00 2.49 C ATOM 3306 CG GLN N 76 23.997 2.711 -8.239 1.00 2.66 C ATOM 3307 CD GLN N 76 24.132 2.936 -9.730 1.00 2.93 C ATOM 3308 OE1 GLN N 76 23.726 3.977 -10.251 1.00 3.22 O ATOM 3309 NE2 GLN N 76 24.711 1.970 -10.427 1.00 3.31 N ATOM 0 H GLN N 76 22.005 3.486 -6.021 1.00 2.26 H new ATOM 0 HA GLN N 76 24.903 3.151 -5.659 1.00 2.44 H new ATOM 0 HB2 GLN N 76 23.246 4.647 -7.726 1.00 2.49 H new ATOM 0 HB3 GLN N 76 24.995 4.533 -7.730 1.00 2.49 H new ATOM 0 HG2 GLN N 76 24.781 2.031 -7.904 1.00 2.66 H new ATOM 0 HG3 GLN N 76 23.044 2.225 -8.032 1.00 2.66 H new ATOM 0 HE21 GLN N 76 25.033 1.124 -9.956 1.00 3.31 H new ATOM 0 HE22 GLN N 76 24.835 2.072 -11.434 1.00 3.31 H new ATOM 3318 N ASN N 77 25.456 5.698 -5.325 1.00 2.72 N ATOM 3319 CA ASN N 77 25.779 6.977 -4.696 1.00 2.85 C ATOM 3320 C ASN N 77 25.429 6.936 -3.212 1.00 2.80 C ATOM 3321 O ASN N 77 24.687 7.779 -2.703 1.00 2.79 O ATOM 3322 CB ASN N 77 25.044 8.127 -5.400 1.00 2.88 C ATOM 3323 CG ASN N 77 25.563 9.497 -4.994 1.00 3.04 C ATOM 3324 OD1 ASN N 77 26.737 9.659 -4.651 1.00 3.19 O ATOM 3325 ND2 ASN N 77 24.691 10.492 -5.036 1.00 3.09 N ATOM 0 H ASN N 77 26.232 5.280 -5.838 1.00 2.72 H new ATOM 0 HA ASN N 77 26.850 7.154 -4.793 1.00 2.85 H new ATOM 0 HB2 ASN N 77 25.146 8.010 -6.479 1.00 2.88 H new ATOM 0 HB3 ASN N 77 23.980 8.065 -5.172 1.00 2.88 H new ATOM 0 HD21 ASN N 77 24.981 11.436 -4.779 1.00 3.09 H new ATOM 0 HD22 ASN N 77 23.729 10.315 -5.325 1.00 3.09 H new ATOM 3332 N ILE N 78 25.948 5.923 -2.533 1.00 2.80 N ATOM 3333 CA ILE N 78 25.702 5.732 -1.114 1.00 2.79 C ATOM 3334 C ILE N 78 26.308 6.861 -0.284 1.00 2.96 C ATOM 3335 O ILE N 78 27.466 7.244 -0.479 1.00 3.10 O ATOM 3336 CB ILE N 78 26.256 4.369 -0.642 1.00 2.77 C ATOM 3337 CG1 ILE N 78 25.430 3.230 -1.239 1.00 2.58 C ATOM 3338 CG2 ILE N 78 26.262 4.273 0.874 1.00 2.82 C ATOM 3339 CD1 ILE N 78 23.969 3.271 -0.842 1.00 2.41 C ATOM 0 H ILE N 78 26.550 5.213 -2.950 1.00 2.80 H new ATOM 0 HA ILE N 78 24.622 5.745 -0.965 1.00 2.79 H new ATOM 0 HB ILE N 78 27.286 4.284 -0.989 1.00 2.77 H new ATOM 0 HG12 ILE N 78 25.504 3.269 -2.326 1.00 2.58 H new ATOM 0 HG13 ILE N 78 25.857 2.278 -0.924 1.00 2.58 H new ATOM 0 HG21 ILE N 78 26.657 3.303 1.176 1.00 2.82 H new ATOM 0 HG22 ILE N 78 26.889 5.064 1.286 1.00 2.82 H new ATOM 0 HG23 ILE N 78 25.245 4.383 1.250 1.00 2.82 H new ATOM 0 HD11 ILE N 78 23.443 2.434 -1.301 1.00 2.41 H new ATOM 0 HD12 ILE N 78 23.885 3.201 0.242 1.00 2.41 H new ATOM 0 HD13 ILE N 78 23.526 4.207 -1.181 1.00 2.41 H new ATOM 3351 N ILE N 79 25.510 7.391 0.630 1.00 2.95 N ATOM 3352 CA ILE N 79 25.931 8.473 1.505 1.00 3.11 C ATOM 3353 C ILE N 79 26.014 7.981 2.948 1.00 3.14 C ATOM 3354 O ILE N 79 25.716 6.821 3.227 1.00 3.03 O ATOM 3355 CB ILE N 79 24.958 9.667 1.423 1.00 3.12 C ATOM 3356 CG1 ILE N 79 23.538 9.233 1.804 1.00 2.95 C ATOM 3357 CG2 ILE N 79 24.977 10.268 0.026 1.00 3.17 C ATOM 3358 CD1 ILE N 79 22.520 10.355 1.768 1.00 2.98 C ATOM 0 H ILE N 79 24.550 7.082 0.786 1.00 2.95 H new ATOM 0 HA ILE N 79 26.915 8.805 1.175 1.00 3.11 H new ATOM 0 HB ILE N 79 25.283 10.428 2.132 1.00 3.12 H new ATOM 0 HG12 ILE N 79 23.216 8.443 1.126 1.00 2.95 H new ATOM 0 HG13 ILE N 79 23.557 8.805 2.806 1.00 2.95 H new ATOM 0 HG21 ILE N 79 24.286 11.110 -0.017 1.00 3.17 H new ATOM 0 HG22 ILE N 79 25.984 10.613 -0.208 1.00 3.17 H new ATOM 0 HG23 ILE N 79 24.675 9.512 -0.699 1.00 3.17 H new ATOM 0 HD11 ILE N 79 21.541 9.967 2.050 1.00 2.98 H new ATOM 0 HD12 ILE N 79 22.816 11.137 2.467 1.00 2.98 H new ATOM 0 HD13 ILE N 79 22.470 10.769 0.761 1.00 2.98 H new ATOM 3370 N GLN N 80 26.402 8.861 3.864 1.00 3.31 N ATOM 3371 CA GLN N 80 26.522 8.496 5.273 1.00 3.37 C ATOM 3372 C GLN N 80 25.159 8.220 5.902 1.00 3.24 C ATOM 3373 O GLN N 80 25.043 7.416 6.832 1.00 3.24 O ATOM 3374 CB GLN N 80 27.233 9.604 6.054 1.00 3.58 C ATOM 3375 CG GLN N 80 28.744 9.455 6.084 1.00 3.73 C ATOM 3376 CD GLN N 80 29.188 8.086 6.563 1.00 3.76 C ATOM 3377 OE1 GLN N 80 28.506 7.438 7.355 1.00 3.74 O ATOM 3378 NE2 GLN N 80 30.337 7.637 6.086 1.00 3.84 N ATOM 0 H GLN N 80 26.639 9.831 3.658 1.00 3.31 H new ATOM 0 HA GLN N 80 27.112 7.581 5.322 1.00 3.37 H new ATOM 0 HB2 GLN N 80 26.980 10.568 5.612 1.00 3.58 H new ATOM 0 HB3 GLN N 80 26.857 9.614 7.077 1.00 3.58 H new ATOM 0 HG2 GLN N 80 29.142 9.633 5.085 1.00 3.73 H new ATOM 0 HG3 GLN N 80 29.167 10.219 6.736 1.00 3.73 H new ATOM 0 HE21 GLN N 80 30.874 8.205 5.430 1.00 3.84 H new ATOM 0 HE22 GLN N 80 30.686 6.723 6.374 1.00 3.84 H new ATOM 3387 N ASN N 81 24.132 8.880 5.384 1.00 3.15 N ATOM 3388 CA ASN N 81 22.775 8.723 5.899 1.00 3.03 C ATOM 3389 C ASN N 81 22.163 7.388 5.476 1.00 2.84 C ATOM 3390 O ASN N 81 21.072 7.031 5.920 1.00 2.74 O ATOM 3391 CB ASN N 81 21.894 9.881 5.421 1.00 3.01 C ATOM 3392 CG ASN N 81 20.662 10.071 6.284 1.00 2.96 C ATOM 3393 OD1 ASN N 81 20.648 9.698 7.457 1.00 3.10 O ATOM 3394 ND2 ASN N 81 19.624 10.664 5.715 1.00 2.85 N ATOM 0 H ASN N 81 24.212 9.532 4.604 1.00 3.15 H new ATOM 0 HA ASN N 81 22.828 8.734 6.988 1.00 3.03 H new ATOM 0 HB2 ASN N 81 22.478 10.801 5.421 1.00 3.01 H new ATOM 0 HB3 ASN N 81 21.587 9.698 4.391 1.00 3.01 H new ATOM 0 HD21 ASN N 81 18.772 10.827 6.252 1.00 2.85 H new ATOM 0 HD22 ASN N 81 19.676 10.958 4.740 1.00 2.85 H new ATOM 3401 N ASP N 82 22.868 6.649 4.627 1.00 2.80 N ATOM 3402 CA ASP N 82 22.377 5.353 4.161 1.00 2.63 C ATOM 3403 C ASP N 82 22.666 4.270 5.191 1.00 2.67 C ATOM 3404 O ASP N 82 22.054 3.201 5.175 1.00 2.56 O ATOM 3405 CB ASP N 82 23.009 4.972 2.821 1.00 2.59 C ATOM 3406 CG ASP N 82 22.371 5.688 1.650 1.00 2.50 C ATOM 3407 OD1 ASP N 82 21.127 5.682 1.543 1.00 2.39 O ATOM 3408 OD2 ASP N 82 23.112 6.260 0.826 1.00 2.59 O ATOM 0 H ASP N 82 23.775 6.921 4.248 1.00 2.80 H new ATOM 0 HA ASP N 82 21.299 5.438 4.024 1.00 2.63 H new ATOM 0 HB2 ASP N 82 24.074 5.204 2.847 1.00 2.59 H new ATOM 0 HB3 ASP N 82 22.921 3.895 2.675 1.00 2.59 H new ATOM 3413 N THR N 83 23.612 4.554 6.079 1.00 2.84 N ATOM 3414 CA THR N 83 23.988 3.621 7.132 1.00 2.93 C ATOM 3415 C THR N 83 22.785 3.304 8.015 1.00 2.87 C ATOM 3416 O THR N 83 22.240 4.194 8.674 1.00 2.90 O ATOM 3417 CB THR N 83 25.104 4.210 8.016 1.00 3.14 C ATOM 3418 OG1 THR N 83 26.147 4.757 7.197 1.00 3.20 O ATOM 3419 CG2 THR N 83 25.684 3.152 8.942 1.00 3.25 C ATOM 0 H THR N 83 24.135 5.430 6.089 1.00 2.84 H new ATOM 0 HA THR N 83 24.348 2.711 6.652 1.00 2.93 H new ATOM 0 HB THR N 83 24.667 5.002 8.625 1.00 3.14 H new ATOM 0 HG1 THR N 83 25.939 5.690 6.982 1.00 3.20 H new ATOM 0 HG21 THR N 83 26.469 3.595 9.554 1.00 3.25 H new ATOM 0 HG22 THR N 83 24.897 2.763 9.588 1.00 3.25 H new ATOM 0 HG23 THR N 83 26.102 2.339 8.349 1.00 3.25 H new ATOM 3427 N GLY N 84 22.364 2.049 8.028 1.00 2.79 N ATOM 3428 CA GLY N 84 21.225 1.682 8.840 1.00 2.75 C ATOM 3429 C GLY N 84 20.554 0.409 8.383 1.00 2.61 C ATOM 3430 O GLY N 84 21.187 -0.446 7.757 1.00 2.60 O ATOM 0 H GLY N 84 22.785 1.286 7.497 1.00 2.79 H new ATOM 0 HA2 GLY N 84 21.547 1.564 9.874 1.00 2.75 H new ATOM 0 HA3 GLY N 84 20.498 2.494 8.823 1.00 2.75 H new ATOM 3434 N PHE N 85 19.268 0.298 8.694 1.00 2.51 N ATOM 3435 CA PHE N 85 18.480 -0.875 8.349 1.00 2.39 C ATOM 3436 C PHE N 85 17.467 -0.569 7.245 1.00 2.17 C ATOM 3437 O PHE N 85 16.970 0.557 7.125 1.00 2.14 O ATOM 3438 CB PHE N 85 17.736 -1.390 9.587 1.00 2.47 C ATOM 3439 CG PHE N 85 18.601 -2.124 10.579 1.00 2.67 C ATOM 3440 CD1 PHE N 85 19.582 -1.459 11.296 1.00 2.85 C ATOM 3441 CD2 PHE N 85 18.417 -3.480 10.803 1.00 2.71 C ATOM 3442 CE1 PHE N 85 20.363 -2.130 12.217 1.00 3.06 C ATOM 3443 CE2 PHE N 85 19.197 -4.158 11.720 1.00 2.92 C ATOM 3444 CZ PHE N 85 20.171 -3.481 12.429 1.00 3.08 C ATOM 0 H PHE N 85 18.745 1.018 9.192 1.00 2.51 H new ATOM 0 HA PHE N 85 19.168 -1.637 7.983 1.00 2.39 H new ATOM 0 HB2 PHE N 85 17.266 -0.545 10.090 1.00 2.47 H new ATOM 0 HB3 PHE N 85 16.934 -2.054 9.263 1.00 2.47 H new ATOM 0 HD1 PHE N 85 19.738 -0.403 11.133 1.00 2.85 H new ATOM 0 HD2 PHE N 85 17.655 -4.013 10.254 1.00 2.71 H new ATOM 0 HE1 PHE N 85 21.123 -1.599 12.771 1.00 3.06 H new ATOM 0 HE2 PHE N 85 19.046 -5.215 11.882 1.00 2.92 H new ATOM 0 HZ PHE N 85 20.781 -4.008 13.148 1.00 3.08 H new ATOM 3454 N TYR N 86 17.183 -1.584 6.443 1.00 2.06 N ATOM 3455 CA TYR N 86 16.224 -1.495 5.348 1.00 1.86 C ATOM 3456 C TYR N 86 15.265 -2.677 5.444 1.00 1.79 C ATOM 3457 O TYR N 86 15.685 -3.786 5.777 1.00 1.86 O ATOM 3458 CB TYR N 86 16.948 -1.507 3.995 1.00 1.79 C ATOM 3459 CG TYR N 86 17.504 -0.160 3.582 1.00 1.83 C ATOM 3460 CD1 TYR N 86 18.529 0.445 4.300 1.00 2.01 C ATOM 3461 CD2 TYR N 86 16.997 0.509 2.476 1.00 1.76 C ATOM 3462 CE1 TYR N 86 19.030 1.677 3.931 1.00 2.09 C ATOM 3463 CE2 TYR N 86 17.496 1.741 2.098 1.00 1.85 C ATOM 3464 CZ TYR N 86 18.510 2.319 2.829 1.00 2.00 C ATOM 3465 OH TYR N 86 18.998 3.551 2.463 1.00 2.12 O ATOM 0 H TYR N 86 17.616 -2.503 6.534 1.00 2.06 H new ATOM 0 HA TYR N 86 15.669 -0.560 5.423 1.00 1.86 H new ATOM 0 HB2 TYR N 86 17.764 -2.228 4.038 1.00 1.79 H new ATOM 0 HB3 TYR N 86 16.256 -1.854 3.227 1.00 1.79 H new ATOM 0 HD1 TYR N 86 18.941 -0.058 5.162 1.00 2.01 H new ATOM 0 HD2 TYR N 86 16.200 0.059 1.902 1.00 1.76 H new ATOM 0 HE1 TYR N 86 19.824 2.134 4.502 1.00 2.09 H new ATOM 0 HE2 TYR N 86 17.093 2.248 1.234 1.00 1.85 H new ATOM 0 HH TYR N 86 18.525 3.866 1.664 1.00 2.12 H new ATOM 3475 N THR N 87 13.991 -2.460 5.156 1.00 1.68 N ATOM 3476 CA THR N 87 13.013 -3.533 5.263 1.00 1.64 C ATOM 3477 C THR N 87 12.264 -3.768 3.952 1.00 1.44 C ATOM 3478 O THR N 87 11.865 -2.825 3.266 1.00 1.34 O ATOM 3479 CB THR N 87 12.018 -3.240 6.404 1.00 1.72 C ATOM 3480 OG1 THR N 87 12.717 -3.249 7.654 1.00 1.96 O ATOM 3481 CG2 THR N 87 10.895 -4.264 6.451 1.00 1.74 C ATOM 0 H THR N 87 13.613 -1.563 4.850 1.00 1.68 H new ATOM 0 HA THR N 87 13.561 -4.447 5.489 1.00 1.64 H new ATOM 0 HB THR N 87 11.574 -2.262 6.220 1.00 1.72 H new ATOM 0 HG1 THR N 87 13.250 -2.431 7.737 1.00 1.96 H new ATOM 0 HG21 THR N 87 10.216 -4.022 7.268 1.00 1.74 H new ATOM 0 HG22 THR N 87 10.348 -4.248 5.508 1.00 1.74 H new ATOM 0 HG23 THR N 87 11.315 -5.257 6.610 1.00 1.74 H new ATOM 3489 N LEU N 88 12.080 -5.040 3.620 1.00 1.43 N ATOM 3490 CA LEU N 88 11.385 -5.436 2.407 1.00 1.29 C ATOM 3491 C LEU N 88 10.070 -6.131 2.745 1.00 1.31 C ATOM 3492 O LEU N 88 10.008 -6.966 3.648 1.00 1.45 O ATOM 3493 CB LEU N 88 12.269 -6.372 1.571 1.00 1.30 C ATOM 3494 CG LEU N 88 11.559 -7.103 0.426 1.00 1.21 C ATOM 3495 CD1 LEU N 88 11.178 -6.133 -0.681 1.00 1.08 C ATOM 3496 CD2 LEU N 88 12.437 -8.215 -0.121 1.00 1.29 C ATOM 0 H LEU N 88 12.409 -5.823 4.185 1.00 1.43 H new ATOM 0 HA LEU N 88 11.168 -4.539 1.828 1.00 1.29 H new ATOM 0 HB2 LEU N 88 13.090 -5.790 1.153 1.00 1.30 H new ATOM 0 HB3 LEU N 88 12.710 -7.115 2.235 1.00 1.30 H new ATOM 0 HG LEU N 88 10.644 -7.546 0.821 1.00 1.21 H new ATOM 0 HD11 LEU N 88 10.676 -6.675 -1.482 1.00 1.08 H new ATOM 0 HD12 LEU N 88 10.508 -5.371 -0.283 1.00 1.08 H new ATOM 0 HD13 LEU N 88 12.077 -5.657 -1.073 1.00 1.08 H new ATOM 0 HD21 LEU N 88 11.917 -8.723 -0.933 1.00 1.29 H new ATOM 0 HD22 LEU N 88 13.369 -7.792 -0.496 1.00 1.29 H new ATOM 0 HD23 LEU N 88 12.656 -8.929 0.673 1.00 1.29 H new ATOM 3508 N HIS N 89 9.025 -5.760 2.029 1.00 1.23 N ATOM 3509 CA HIS N 89 7.706 -6.344 2.207 1.00 1.29 C ATOM 3510 C HIS N 89 7.358 -7.114 0.941 1.00 1.24 C ATOM 3511 O HIS N 89 7.347 -6.533 -0.147 1.00 1.14 O ATOM 3512 CB HIS N 89 6.685 -5.231 2.460 1.00 1.32 C ATOM 3513 CG HIS N 89 5.497 -5.633 3.278 1.00 1.49 C ATOM 3514 ND1 HIS N 89 4.290 -4.964 3.225 1.00 1.69 N ATOM 3515 CD2 HIS N 89 5.337 -6.619 4.191 1.00 1.71 C ATOM 3516 CE1 HIS N 89 3.442 -5.520 4.073 1.00 1.90 C ATOM 3517 NE2 HIS N 89 4.051 -6.528 4.672 1.00 1.93 N ATOM 0 H HIS N 89 9.066 -5.043 1.305 1.00 1.23 H new ATOM 0 HA HIS N 89 7.693 -7.019 3.063 1.00 1.29 H new ATOM 0 HB2 HIS N 89 7.189 -4.404 2.961 1.00 1.32 H new ATOM 0 HB3 HIS N 89 6.334 -4.855 1.499 1.00 1.32 H new ATOM 0 HD1 HIS N 89 4.085 -4.165 2.625 1.00 1.69 H new ATOM 0 HD2 HIS N 89 6.081 -7.343 4.487 1.00 1.71 H new ATOM 0 HE1 HIS N 89 2.424 -5.204 4.247 1.00 1.90 H new ATOM 3526 N VAL N 90 7.082 -8.406 1.062 1.00 1.35 N ATOM 3527 CA VAL N 90 6.782 -9.204 -0.120 1.00 1.36 C ATOM 3528 C VAL N 90 5.283 -9.372 -0.297 1.00 1.43 C ATOM 3529 O VAL N 90 4.681 -10.306 0.234 1.00 1.56 O ATOM 3530 CB VAL N 90 7.465 -10.588 -0.078 1.00 1.48 C ATOM 3531 CG1 VAL N 90 7.216 -11.347 -1.374 1.00 1.54 C ATOM 3532 CG2 VAL N 90 8.959 -10.438 0.167 1.00 1.47 C ATOM 0 H VAL N 90 7.059 -8.915 1.946 1.00 1.35 H new ATOM 0 HA VAL N 90 7.183 -8.660 -0.975 1.00 1.36 H new ATOM 0 HB VAL N 90 7.034 -11.158 0.745 1.00 1.48 H new ATOM 0 HG11 VAL N 90 7.705 -12.320 -1.326 1.00 1.54 H new ATOM 0 HG12 VAL N 90 6.144 -11.486 -1.514 1.00 1.54 H new ATOM 0 HG13 VAL N 90 7.620 -10.779 -2.212 1.00 1.54 H new ATOM 0 HG21 VAL N 90 9.424 -11.423 0.194 1.00 1.47 H new ATOM 0 HG22 VAL N 90 9.402 -9.849 -0.636 1.00 1.47 H new ATOM 0 HG23 VAL N 90 9.123 -9.934 1.119 1.00 1.47 H new ATOM 3542 N ILE N 91 4.684 -8.454 -1.037 1.00 1.39 N ATOM 3543 CA ILE N 91 3.257 -8.503 -1.278 1.00 1.49 C ATOM 3544 C ILE N 91 2.925 -9.702 -2.147 1.00 1.62 C ATOM 3545 O ILE N 91 3.382 -9.809 -3.288 1.00 1.61 O ATOM 3546 CB ILE N 91 2.732 -7.217 -1.951 1.00 1.45 C ATOM 3547 CG1 ILE N 91 3.284 -5.970 -1.249 1.00 1.35 C ATOM 3548 CG2 ILE N 91 1.208 -7.203 -1.947 1.00 1.59 C ATOM 3549 CD1 ILE N 91 2.878 -5.853 0.204 1.00 1.41 C ATOM 0 H ILE N 91 5.164 -7.670 -1.479 1.00 1.39 H new ATOM 0 HA ILE N 91 2.766 -8.592 -0.309 1.00 1.49 H new ATOM 0 HB ILE N 91 3.078 -7.204 -2.985 1.00 1.45 H new ATOM 0 HG12 ILE N 91 4.372 -5.982 -1.312 1.00 1.35 H new ATOM 0 HG13 ILE N 91 2.943 -5.083 -1.784 1.00 1.35 H new ATOM 0 HG21 ILE N 91 0.851 -6.290 -2.425 1.00 1.59 H new ATOM 0 HG22 ILE N 91 0.835 -8.069 -2.494 1.00 1.59 H new ATOM 0 HG23 ILE N 91 0.846 -7.240 -0.919 1.00 1.59 H new ATOM 0 HD11 ILE N 91 3.307 -4.946 0.630 1.00 1.41 H new ATOM 0 HD12 ILE N 91 1.791 -5.808 0.276 1.00 1.41 H new ATOM 0 HD13 ILE N 91 3.242 -6.720 0.755 1.00 1.41 H new ATOM 3561 N LYS N 92 2.151 -10.610 -1.589 1.00 1.77 N ATOM 3562 CA LYS N 92 1.748 -11.814 -2.285 1.00 1.92 C ATOM 3563 C LYS N 92 0.234 -11.883 -2.364 1.00 2.09 C ATOM 3564 O LYS N 92 -0.467 -11.346 -1.504 1.00 2.14 O ATOM 3565 CB LYS N 92 2.289 -13.048 -1.560 1.00 1.97 C ATOM 3566 CG LYS N 92 3.777 -13.284 -1.781 1.00 1.88 C ATOM 3567 CD LYS N 92 4.367 -14.204 -0.722 1.00 1.92 C ATOM 3568 CE LYS N 92 3.558 -15.483 -0.578 1.00 2.08 C ATOM 3569 NZ LYS N 92 4.229 -16.465 0.307 1.00 2.24 N ATOM 0 H LYS N 92 1.784 -10.534 -0.640 1.00 1.77 H new ATOM 0 HA LYS N 92 2.157 -11.791 -3.295 1.00 1.92 H new ATOM 0 HB2 LYS N 92 2.102 -12.942 -0.491 1.00 1.97 H new ATOM 0 HB3 LYS N 92 1.737 -13.926 -1.895 1.00 1.97 H new ATOM 0 HG2 LYS N 92 3.933 -13.719 -2.768 1.00 1.88 H new ATOM 0 HG3 LYS N 92 4.303 -12.329 -1.767 1.00 1.88 H new ATOM 0 HD2 LYS N 92 5.395 -14.451 -0.986 1.00 1.92 H new ATOM 0 HD3 LYS N 92 4.400 -13.684 0.235 1.00 1.92 H new ATOM 0 HE2 LYS N 92 2.573 -15.246 -0.176 1.00 2.08 H new ATOM 0 HE3 LYS N 92 3.403 -15.927 -1.561 1.00 2.08 H new ATOM 0 HZ1 LYS N 92 4.672 -17.207 -0.271 1.00 2.24 H new ATOM 0 HZ2 LYS N 92 4.959 -15.983 0.870 1.00 2.24 H new ATOM 0 HZ3 LYS N 92 3.528 -16.894 0.944 1.00 2.24 H new ATOM 3583 N SER N 93 -0.272 -12.560 -3.381 1.00 2.20 N ATOM 3584 CA SER N 93 -1.709 -12.702 -3.566 1.00 2.39 C ATOM 3585 C SER N 93 -2.272 -13.781 -2.638 1.00 2.47 C ATOM 3586 O SER N 93 -3.210 -14.495 -2.990 1.00 2.63 O ATOM 3587 CB SER N 93 -1.999 -13.044 -5.027 1.00 2.51 C ATOM 3588 OG SER N 93 -0.840 -13.574 -5.656 1.00 2.44 O ATOM 0 H SER N 93 0.292 -13.022 -4.094 1.00 2.20 H new ATOM 0 HA SER N 93 -2.196 -11.760 -3.314 1.00 2.39 H new ATOM 0 HB2 SER N 93 -2.812 -13.767 -5.082 1.00 2.51 H new ATOM 0 HB3 SER N 93 -2.330 -12.151 -5.556 1.00 2.51 H new ATOM 0 HG SER N 93 -0.979 -14.524 -5.851 1.00 2.44 H new ATOM 3594 N ASP N 94 -1.699 -13.878 -1.447 1.00 2.42 N ATOM 3595 CA ASP N 94 -2.123 -14.869 -0.468 1.00 2.52 C ATOM 3596 C ASP N 94 -2.099 -14.278 0.940 1.00 2.50 C ATOM 3597 O ASP N 94 -2.054 -15.010 1.927 1.00 2.58 O ATOM 3598 CB ASP N 94 -1.215 -16.101 -0.539 1.00 2.52 C ATOM 3599 CG ASP N 94 -1.898 -17.360 -0.039 1.00 2.72 C ATOM 3600 OD1 ASP N 94 -2.795 -17.873 -0.737 1.00 3.08 O ATOM 3601 OD2 ASP N 94 -1.533 -17.851 1.046 1.00 3.10 O ATOM 0 H ASP N 94 -0.935 -13.279 -1.134 1.00 2.42 H new ATOM 0 HA ASP N 94 -3.145 -15.168 -0.699 1.00 2.52 H new ATOM 0 HB2 ASP N 94 -0.893 -16.252 -1.570 1.00 2.52 H new ATOM 0 HB3 ASP N 94 -0.317 -15.920 0.052 1.00 2.52 H new ATOM 3606 N LEU N 95 -2.107 -12.943 1.014 1.00 2.43 N ATOM 3607 CA LEU N 95 -2.099 -12.201 2.288 1.00 2.44 C ATOM 3608 C LEU N 95 -0.732 -12.236 2.978 1.00 2.32 C ATOM 3609 O LEU N 95 -0.316 -11.244 3.576 1.00 2.30 O ATOM 3610 CB LEU N 95 -3.186 -12.713 3.244 1.00 2.65 C ATOM 3611 CG LEU N 95 -4.613 -12.268 2.913 1.00 3.03 C ATOM 3612 CD1 LEU N 95 -5.619 -13.061 3.729 1.00 3.22 C ATOM 3613 CD2 LEU N 95 -4.783 -10.779 3.174 1.00 3.49 C ATOM 0 H LEU N 95 -2.119 -12.340 0.191 1.00 2.43 H new ATOM 0 HA LEU N 95 -2.315 -11.163 2.036 1.00 2.44 H new ATOM 0 HB2 LEU N 95 -3.156 -13.803 3.252 1.00 2.65 H new ATOM 0 HB3 LEU N 95 -2.945 -12.380 4.254 1.00 2.65 H new ATOM 0 HG LEU N 95 -4.794 -12.458 1.855 1.00 3.03 H new ATOM 0 HD11 LEU N 95 -6.628 -12.732 3.482 1.00 3.22 H new ATOM 0 HD12 LEU N 95 -5.517 -14.122 3.501 1.00 3.22 H new ATOM 0 HD13 LEU N 95 -5.435 -12.899 4.791 1.00 3.22 H new ATOM 0 HD21 LEU N 95 -5.804 -10.482 2.933 1.00 3.49 H new ATOM 0 HD22 LEU N 95 -4.582 -10.568 4.224 1.00 3.49 H new ATOM 0 HD23 LEU N 95 -4.085 -10.219 2.552 1.00 3.49 H new ATOM 3625 N VAL N 96 -0.048 -13.374 2.911 1.00 2.30 N ATOM 3626 CA VAL N 96 1.270 -13.516 3.522 1.00 2.23 C ATOM 3627 C VAL N 96 2.294 -12.678 2.759 1.00 2.05 C ATOM 3628 O VAL N 96 2.872 -13.129 1.777 1.00 2.10 O ATOM 3629 CB VAL N 96 1.728 -14.990 3.551 1.00 2.33 C ATOM 3630 CG1 VAL N 96 2.952 -15.152 4.431 1.00 2.49 C ATOM 3631 CG2 VAL N 96 0.607 -15.900 4.030 1.00 2.55 C ATOM 0 H VAL N 96 -0.385 -14.213 2.439 1.00 2.30 H new ATOM 0 HA VAL N 96 1.197 -13.163 4.551 1.00 2.23 H new ATOM 0 HB VAL N 96 1.991 -15.280 2.534 1.00 2.33 H new ATOM 0 HG11 VAL N 96 3.259 -16.198 4.438 1.00 2.49 H new ATOM 0 HG12 VAL N 96 3.764 -14.538 4.041 1.00 2.49 H new ATOM 0 HG13 VAL N 96 2.714 -14.837 5.447 1.00 2.49 H new ATOM 0 HG21 VAL N 96 0.956 -16.933 4.041 1.00 2.55 H new ATOM 0 HG22 VAL N 96 0.306 -15.608 5.036 1.00 2.55 H new ATOM 0 HG23 VAL N 96 -0.246 -15.812 3.357 1.00 2.55 H new ATOM 3641 N ASN N 97 2.499 -11.455 3.224 1.00 1.93 N ATOM 3642 CA ASN N 97 3.412 -10.522 2.591 1.00 1.78 C ATOM 3643 C ASN N 97 4.782 -10.507 3.270 1.00 1.76 C ATOM 3644 O ASN N 97 5.389 -9.439 3.410 1.00 1.76 O ATOM 3645 CB ASN N 97 2.799 -9.116 2.598 1.00 1.74 C ATOM 3646 CG ASN N 97 1.496 -9.041 1.818 1.00 1.80 C ATOM 3647 OD1 ASN N 97 1.272 -9.800 0.877 1.00 1.95 O ATOM 3648 ND2 ASN N 97 0.623 -8.122 2.206 1.00 2.01 N ATOM 0 H ASN N 97 2.035 -11.083 4.053 1.00 1.93 H new ATOM 0 HA ASN N 97 3.566 -10.851 1.563 1.00 1.78 H new ATOM 0 HB2 ASN N 97 2.620 -8.807 3.628 1.00 1.74 H new ATOM 0 HB3 ASN N 97 3.513 -8.410 2.173 1.00 1.74 H new ATOM 0 HD21 ASN N 97 -0.268 -8.028 1.719 1.00 2.01 H new ATOM 0 HD22 ASN N 97 0.843 -7.509 2.991 1.00 2.01 H new ATOM 3655 N GLU N 98 5.252 -11.712 3.634 1.00 1.86 N ATOM 3656 CA GLU N 98 6.542 -11.956 4.317 1.00 1.90 C ATOM 3657 C GLU N 98 7.490 -10.752 4.327 1.00 1.80 C ATOM 3658 O GLU N 98 7.955 -10.289 3.283 1.00 1.70 O ATOM 3659 CB GLU N 98 7.230 -13.170 3.687 1.00 1.96 C ATOM 3660 CG GLU N 98 6.592 -14.488 4.097 1.00 2.15 C ATOM 3661 CD GLU N 98 6.791 -15.589 3.079 1.00 2.16 C ATOM 3662 OE1 GLU N 98 5.895 -15.792 2.234 1.00 2.21 O ATOM 3663 OE2 GLU N 98 7.836 -16.272 3.133 1.00 2.22 O ATOM 0 H GLU N 98 4.732 -12.572 3.458 1.00 1.86 H new ATOM 0 HA GLU N 98 6.305 -12.146 5.364 1.00 1.90 H new ATOM 0 HB2 GLU N 98 7.197 -13.078 2.601 1.00 1.96 H new ATOM 0 HB3 GLU N 98 8.281 -13.176 3.974 1.00 1.96 H new ATOM 0 HG2 GLU N 98 7.011 -14.805 5.052 1.00 2.15 H new ATOM 0 HG3 GLU N 98 5.524 -14.334 4.252 1.00 2.15 H new ATOM 3670 N GLU N 99 7.776 -10.267 5.528 1.00 1.86 N ATOM 3671 CA GLU N 99 8.638 -9.110 5.718 1.00 1.81 C ATOM 3672 C GLU N 99 10.027 -9.531 6.188 1.00 1.91 C ATOM 3673 O GLU N 99 10.166 -10.481 6.958 1.00 2.10 O ATOM 3674 CB GLU N 99 8.002 -8.172 6.746 1.00 1.90 C ATOM 3675 CG GLU N 99 8.830 -6.939 7.053 1.00 1.88 C ATOM 3676 CD GLU N 99 8.588 -6.415 8.451 1.00 2.04 C ATOM 3677 OE1 GLU N 99 7.832 -5.435 8.599 1.00 2.12 O ATOM 3678 OE2 GLU N 99 9.154 -6.987 9.408 1.00 2.32 O ATOM 0 H GLU N 99 7.417 -10.664 6.396 1.00 1.86 H new ATOM 0 HA GLU N 99 8.748 -8.595 4.763 1.00 1.81 H new ATOM 0 HB2 GLU N 99 7.024 -7.858 6.380 1.00 1.90 H new ATOM 0 HB3 GLU N 99 7.834 -8.724 7.671 1.00 1.90 H new ATOM 0 HG2 GLU N 99 9.887 -7.176 6.935 1.00 1.88 H new ATOM 0 HG3 GLU N 99 8.596 -6.158 6.330 1.00 1.88 H new ATOM 3685 N ALA N 100 11.047 -8.822 5.718 1.00 1.82 N ATOM 3686 CA ALA N 100 12.424 -9.102 6.101 1.00 1.94 C ATOM 3687 C ALA N 100 13.199 -7.800 6.247 1.00 1.92 C ATOM 3688 O ALA N 100 12.913 -6.825 5.550 1.00 1.79 O ATOM 3689 CB ALA N 100 13.091 -10.004 5.078 1.00 1.91 C ATOM 0 H ALA N 100 10.944 -8.044 5.067 1.00 1.82 H new ATOM 0 HA ALA N 100 12.421 -9.619 7.060 1.00 1.94 H new ATOM 0 HB1 ALA N 100 14.119 -10.201 5.382 1.00 1.91 H new ATOM 0 HB2 ALA N 100 12.545 -10.945 5.012 1.00 1.91 H new ATOM 0 HB3 ALA N 100 13.089 -9.514 4.104 1.00 1.91 H new ATOM 3695 N THR N 101 14.180 -7.787 7.139 1.00 2.07 N ATOM 3696 CA THR N 101 14.975 -6.592 7.376 1.00 2.10 C ATOM 3697 C THR N 101 16.475 -6.870 7.244 1.00 2.20 C ATOM 3698 O THR N 101 16.979 -7.890 7.724 1.00 2.35 O ATOM 3699 CB THR N 101 14.683 -6.011 8.778 1.00 2.23 C ATOM 3700 OG1 THR N 101 13.274 -5.801 8.935 1.00 2.19 O ATOM 3701 CG2 THR N 101 15.410 -4.694 8.995 1.00 2.25 C ATOM 0 H THR N 101 14.444 -8.590 7.710 1.00 2.07 H new ATOM 0 HA THR N 101 14.692 -5.866 6.614 1.00 2.10 H new ATOM 0 HB THR N 101 15.039 -6.729 9.516 1.00 2.23 H new ATOM 0 HG1 THR N 101 13.022 -4.949 8.522 1.00 2.19 H new ATOM 0 HG21 THR N 101 15.183 -4.313 9.991 1.00 2.25 H new ATOM 0 HG22 THR N 101 16.485 -4.852 8.903 1.00 2.25 H new ATOM 0 HG23 THR N 101 15.085 -3.971 8.247 1.00 2.25 H new ATOM 3709 N GLY N 102 17.172 -5.961 6.575 1.00 2.14 N ATOM 3710 CA GLY N 102 18.606 -6.076 6.395 1.00 2.25 C ATOM 3711 C GLY N 102 19.284 -4.780 6.786 1.00 2.32 C ATOM 3712 O GLY N 102 18.601 -3.792 7.039 1.00 2.29 O ATOM 0 H GLY N 102 16.760 -5.132 6.147 1.00 2.14 H new ATOM 0 HA2 GLY N 102 18.992 -6.895 7.002 1.00 2.25 H new ATOM 0 HA3 GLY N 102 18.832 -6.315 5.356 1.00 2.25 H new ATOM 3716 N GLN N 103 20.608 -4.760 6.842 1.00 2.45 N ATOM 3717 CA GLN N 103 21.312 -3.541 7.225 1.00 2.56 C ATOM 3718 C GLN N 103 22.728 -3.504 6.666 1.00 2.64 C ATOM 3719 O GLN N 103 23.295 -4.537 6.308 1.00 2.67 O ATOM 3720 CB GLN N 103 21.363 -3.415 8.750 1.00 2.73 C ATOM 3721 CG GLN N 103 22.336 -4.378 9.417 1.00 2.92 C ATOM 3722 CD GLN N 103 23.287 -3.689 10.376 1.00 3.21 C ATOM 3723 OE1 GLN N 103 23.691 -4.263 11.388 1.00 3.42 O ATOM 3724 NE2 GLN N 103 23.658 -2.455 10.067 1.00 3.30 N ATOM 0 H GLN N 103 21.209 -5.557 6.632 1.00 2.45 H new ATOM 0 HA GLN N 103 20.759 -2.702 6.803 1.00 2.56 H new ATOM 0 HB2 GLN N 103 21.641 -2.394 9.011 1.00 2.73 H new ATOM 0 HB3 GLN N 103 20.365 -3.586 9.152 1.00 2.73 H new ATOM 0 HG2 GLN N 103 21.773 -5.139 9.957 1.00 2.92 H new ATOM 0 HG3 GLN N 103 22.913 -4.893 8.649 1.00 2.92 H new ATOM 0 HE21 GLN N 103 23.302 -2.012 9.220 1.00 3.30 H new ATOM 0 HE22 GLN N 103 24.300 -1.948 10.676 1.00 3.30 H new ATOM 3733 N PHE N 104 23.285 -2.303 6.593 1.00 2.70 N ATOM 3734 CA PHE N 104 24.646 -2.108 6.110 1.00 2.80 C ATOM 3735 C PHE N 104 25.225 -0.829 6.704 1.00 2.93 C ATOM 3736 O PHE N 104 24.482 0.006 7.239 1.00 2.90 O ATOM 3737 CB PHE N 104 24.702 -2.078 4.574 1.00 2.67 C ATOM 3738 CG PHE N 104 23.858 -1.012 3.929 1.00 2.54 C ATOM 3739 CD1 PHE N 104 22.528 -1.251 3.632 1.00 2.35 C ATOM 3740 CD2 PHE N 104 24.402 0.221 3.604 1.00 2.62 C ATOM 3741 CE1 PHE N 104 21.754 -0.283 3.023 1.00 2.25 C ATOM 3742 CE2 PHE N 104 23.632 1.194 2.997 1.00 2.53 C ATOM 3743 CZ PHE N 104 22.305 0.941 2.705 1.00 2.34 C ATOM 0 H PHE N 104 22.811 -1.442 6.865 1.00 2.70 H new ATOM 0 HA PHE N 104 25.251 -2.955 6.435 1.00 2.80 H new ATOM 0 HB2 PHE N 104 25.738 -1.937 4.266 1.00 2.67 H new ATOM 0 HB3 PHE N 104 24.386 -3.050 4.195 1.00 2.67 H new ATOM 0 HD1 PHE N 104 22.090 -2.207 3.880 1.00 2.35 H new ATOM 0 HD2 PHE N 104 25.439 0.423 3.828 1.00 2.62 H new ATOM 0 HE1 PHE N 104 20.718 -0.484 2.796 1.00 2.25 H new ATOM 0 HE2 PHE N 104 24.067 2.152 2.751 1.00 2.53 H new ATOM 0 HZ PHE N 104 21.701 1.699 2.229 1.00 2.34 H new ATOM 3753 N ARG N 105 26.542 -0.680 6.619 1.00 3.08 N ATOM 3754 CA ARG N 105 27.219 0.489 7.164 1.00 3.23 C ATOM 3755 C ARG N 105 28.058 1.178 6.096 1.00 3.25 C ATOM 3756 O ARG N 105 28.559 0.531 5.176 1.00 3.23 O ATOM 3757 CB ARG N 105 28.097 0.085 8.350 1.00 3.43 C ATOM 3758 CG ARG N 105 27.298 -0.397 9.550 1.00 3.44 C ATOM 3759 CD ARG N 105 28.191 -0.968 10.637 1.00 3.65 C ATOM 3760 NE ARG N 105 27.404 -1.535 11.729 1.00 3.68 N ATOM 3761 CZ ARG N 105 27.701 -2.669 12.363 1.00 3.82 C ATOM 3762 NH1 ARG N 105 28.803 -3.344 12.054 1.00 3.95 N ATOM 3763 NH2 ARG N 105 26.895 -3.122 13.314 1.00 3.86 N ATOM 0 H ARG N 105 27.163 -1.357 6.176 1.00 3.08 H new ATOM 0 HA ARG N 105 26.462 1.193 7.508 1.00 3.23 H new ATOM 0 HB2 ARG N 105 28.780 -0.704 8.036 1.00 3.43 H new ATOM 0 HB3 ARG N 105 28.709 0.937 8.647 1.00 3.43 H new ATOM 0 HG2 ARG N 105 26.718 0.432 9.956 1.00 3.44 H new ATOM 0 HG3 ARG N 105 26.586 -1.157 9.229 1.00 3.44 H new ATOM 0 HD2 ARG N 105 28.836 -1.738 10.213 1.00 3.65 H new ATOM 0 HD3 ARG N 105 28.842 -0.184 11.024 1.00 3.65 H new ATOM 0 HE ARG N 105 26.570 -1.028 12.027 1.00 3.68 H new ATOM 0 HH11 ARG N 105 29.428 -2.995 11.327 1.00 3.95 H new ATOM 0 HH12 ARG N 105 29.024 -4.211 12.543 1.00 3.95 H new ATOM 0 HH21 ARG N 105 26.051 -2.603 13.558 1.00 3.86 H new ATOM 0 HH22 ARG N 105 27.119 -3.990 13.802 1.00 3.86 H new ATOM 3777 N VAL N 106 28.202 2.491 6.223 1.00 3.32 N ATOM 3778 CA VAL N 106 28.965 3.275 5.266 1.00 3.36 C ATOM 3779 C VAL N 106 30.148 3.964 5.940 1.00 3.58 C ATOM 3780 O VAL N 106 30.033 4.459 7.064 1.00 3.67 O ATOM 3781 CB VAL N 106 28.077 4.344 4.596 1.00 3.26 C ATOM 3782 CG1 VAL N 106 28.794 4.980 3.412 1.00 3.30 C ATOM 3783 CG2 VAL N 106 26.746 3.737 4.169 1.00 3.05 C ATOM 0 H VAL N 106 27.797 3.036 6.984 1.00 3.32 H new ATOM 0 HA VAL N 106 29.336 2.586 4.507 1.00 3.36 H new ATOM 0 HB VAL N 106 27.875 5.130 5.323 1.00 3.26 H new ATOM 0 HG11 VAL N 106 28.148 5.730 2.956 1.00 3.30 H new ATOM 0 HG12 VAL N 106 29.714 5.453 3.755 1.00 3.30 H new ATOM 0 HG13 VAL N 106 29.034 4.212 2.676 1.00 3.30 H new ATOM 0 HG21 VAL N 106 26.131 4.504 3.698 1.00 3.05 H new ATOM 0 HG22 VAL N 106 26.925 2.929 3.459 1.00 3.05 H new ATOM 0 HG23 VAL N 106 26.228 3.343 5.044 1.00 3.05 H new ATOM 3793 N TYR N 107 31.282 3.983 5.258 1.00 3.67 N ATOM 3794 CA TYR N 107 32.481 4.621 5.779 1.00 3.87 C ATOM 3795 C TYR N 107 33.090 5.543 4.721 1.00 3.92 C ATOM 3796 O TYR N 107 32.970 5.286 3.519 1.00 3.82 O ATOM 3797 CB TYR N 107 33.500 3.567 6.242 1.00 4.00 C ATOM 3798 CG TYR N 107 34.159 2.784 5.123 1.00 3.99 C ATOM 3799 CD1 TYR N 107 35.380 3.186 4.588 1.00 3.87 C ATOM 3800 CD2 TYR N 107 33.565 1.638 4.608 1.00 3.72 C ATOM 3801 CE1 TYR N 107 35.984 2.471 3.572 1.00 3.64 C ATOM 3802 CE2 TYR N 107 34.163 0.918 3.592 1.00 3.68 C ATOM 3803 CZ TYR N 107 35.372 1.339 3.077 1.00 4.00 C ATOM 3804 OH TYR N 107 35.971 0.624 2.062 1.00 4.25 O ATOM 0 H TYR N 107 31.398 3.561 4.337 1.00 3.67 H new ATOM 0 HA TYR N 107 32.207 5.224 6.645 1.00 3.87 H new ATOM 0 HB2 TYR N 107 34.276 4.064 6.825 1.00 4.00 H new ATOM 0 HB3 TYR N 107 32.999 2.867 6.910 1.00 4.00 H new ATOM 0 HD1 TYR N 107 35.863 4.072 4.974 1.00 3.87 H new ATOM 0 HD2 TYR N 107 32.619 1.304 5.009 1.00 3.72 H new ATOM 0 HE1 TYR N 107 36.931 2.797 3.167 1.00 3.64 H new ATOM 0 HE2 TYR N 107 33.687 0.030 3.203 1.00 3.68 H new ATOM 0 HH TYR N 107 35.411 -0.146 1.830 1.00 4.25 H new ATOM 3814 N PRO N 108 33.719 6.646 5.150 1.00 4.06 N ATOM 3815 CA PRO N 108 34.346 7.601 4.237 1.00 4.13 C ATOM 3816 C PRO N 108 35.718 7.136 3.758 1.00 4.25 C ATOM 3817 O PRO N 108 36.431 6.427 4.472 1.00 4.34 O ATOM 3818 CB PRO N 108 34.483 8.858 5.095 1.00 4.25 C ATOM 3819 CG PRO N 108 34.635 8.347 6.487 1.00 4.34 C ATOM 3820 CD PRO N 108 33.852 7.061 6.561 1.00 4.19 C ATOM 0 HA PRO N 108 33.762 7.742 3.328 1.00 4.13 H new ATOM 0 HB2 PRO N 108 35.346 9.452 4.794 1.00 4.25 H new ATOM 0 HB3 PRO N 108 33.607 9.500 5.001 1.00 4.25 H new ATOM 0 HG2 PRO N 108 35.685 8.176 6.724 1.00 4.34 H new ATOM 0 HG3 PRO N 108 34.259 9.072 7.209 1.00 4.34 H new ATOM 0 HD2 PRO N 108 34.374 6.308 7.152 1.00 4.19 H new ATOM 0 HD3 PRO N 108 32.878 7.212 7.027 1.00 4.19 H new ATOM 3828 N GLU N 109 36.084 7.534 2.551 1.00 4.26 N ATOM 3829 CA GLU N 109 37.376 7.170 1.991 1.00 4.38 C ATOM 3830 C GLU N 109 38.198 8.421 1.745 1.00 4.53 C ATOM 3831 O GLU N 109 37.668 9.425 1.263 1.00 4.52 O ATOM 3832 CB GLU N 109 37.216 6.388 0.685 1.00 4.29 C ATOM 3833 CG GLU N 109 36.850 4.929 0.883 1.00 4.17 C ATOM 3834 CD GLU N 109 36.924 4.137 -0.405 1.00 4.16 C ATOM 3835 OE1 GLU N 109 37.807 3.262 -0.522 1.00 4.33 O ATOM 3836 OE2 GLU N 109 36.107 4.393 -1.313 1.00 4.05 O ATOM 0 H GLU N 109 35.505 8.109 1.939 1.00 4.26 H new ATOM 0 HA GLU N 109 37.889 6.529 2.708 1.00 4.38 H new ATOM 0 HB2 GLU N 109 36.447 6.866 0.078 1.00 4.29 H new ATOM 0 HB3 GLU N 109 38.148 6.446 0.122 1.00 4.29 H new ATOM 0 HG2 GLU N 109 37.521 4.485 1.619 1.00 4.17 H new ATOM 0 HG3 GLU N 109 35.841 4.862 1.290 1.00 4.17 H new ATOM 3843 N LEU N 110 39.485 8.357 2.082 1.00 4.69 N ATOM 3844 CA LEU N 110 40.394 9.487 1.903 1.00 4.85 C ATOM 3845 C LEU N 110 39.984 10.641 2.814 1.00 4.92 C ATOM 3846 O LEU N 110 40.298 10.579 4.022 1.00 4.99 O ATOM 3847 CB LEU N 110 40.426 9.941 0.434 1.00 4.83 C ATOM 3848 CG LEU N 110 40.807 8.855 -0.579 1.00 4.80 C ATOM 3849 CD1 LEU N 110 40.308 9.222 -1.967 1.00 4.79 C ATOM 3850 CD2 LEU N 110 42.312 8.643 -0.592 1.00 4.97 C ATOM 3851 OXT LEU N 110 39.335 11.596 2.333 1.00 4.92 O ATOM 0 H LEU N 110 39.924 7.528 2.483 1.00 4.69 H new ATOM 0 HA LEU N 110 41.399 9.166 2.176 1.00 4.85 H new ATOM 0 HB2 LEU N 110 39.443 10.332 0.170 1.00 4.83 H new ATOM 0 HB3 LEU N 110 41.133 10.766 0.341 1.00 4.83 H new ATOM 0 HG LEU N 110 40.331 7.922 -0.278 1.00 4.80 H new ATOM 0 HD11 LEU N 110 40.588 8.440 -2.673 1.00 4.79 H new ATOM 0 HD12 LEU N 110 39.223 9.323 -1.949 1.00 4.79 H new ATOM 0 HD13 LEU N 110 40.755 10.167 -2.276 1.00 4.79 H new ATOM 0 HD21 LEU N 110 42.564 7.869 -1.317 1.00 4.97 H new ATOM 0 HD22 LEU N 110 42.808 9.574 -0.868 1.00 4.97 H new ATOM 0 HD23 LEU N 110 42.645 8.334 0.399 1.00 4.97 H new TER 3863 LEU N 110 HETATM 3864 O1 MTN N1111 0.646 -10.058 6.158 1.00 2.21 O HETATM 3865 N1 MTN N1111 1.118 -9.020 6.718 1.00 1.97 N HETATM 3866 C1 MTN N1111 0.438 -7.708 6.686 1.00 2.40 C HETATM 3867 C2 MTN N1111 1.406 -6.899 7.466 1.00 2.16 C HETATM 3868 C3 MTN N1111 2.457 -7.581 7.882 1.00 1.77 C HETATM 3869 C4 MTN N1111 3.585 -7.012 8.674 1.00 1.90 C HETATM 3870 S1 MTN N1111 4.906 -6.263 7.674 1.00 1.85 S HETATM 3871 C5 MTN N1111 2.414 -9.030 7.456 1.00 2.00 C HETATM 3872 C6 MTN N1111 3.624 -9.454 6.632 1.00 2.76 C HETATM 3873 C7 MTN N1111 2.255 -9.914 8.693 1.00 2.71 C HETATM 3874 C8 MTN N1111 -0.897 -7.793 7.415 1.00 3.14 C HETATM 3875 C9 MTN N1111 0.265 -7.164 5.268 1.00 3.18 C HETATM 0 H93 MTN N1111 1.243 -7.043 4.803 1.00 3.18 H new HETATM 0 H92 MTN N1111 -0.332 -7.862 4.681 1.00 3.18 H new HETATM 0 H91 MTN N1111 -0.240 -6.199 5.308 1.00 3.18 H new HETATM 0 H83 MTN N1111 -1.530 -8.536 6.930 1.00 3.14 H new HETATM 0 H82 MTN N1111 -0.727 -8.083 8.452 1.00 3.14 H new HETATM 0 H81 MTN N1111 -1.390 -6.821 7.386 1.00 3.14 H new HETATM 0 H73 MTN N1111 1.466 -9.512 9.329 1.00 2.71 H new HETATM 0 H72 MTN N1111 1.992 -10.926 8.386 1.00 2.71 H new HETATM 0 H71 MTN N1111 3.193 -9.935 9.248 1.00 2.71 H new HETATM 0 H63 MTN N1111 3.472 -10.466 6.257 1.00 2.76 H new HETATM 0 H62 MTN N1111 3.750 -8.771 5.792 1.00 2.76 H new HETATM 0 H61 MTN N1111 4.517 -9.429 7.257 1.00 2.76 H new HETATM 0 H42 MTN N1111 3.190 -6.258 9.355 1.00 1.90 H new HETATM 0 H41 MTN N1111 4.016 -7.802 9.289 1.00 1.90 H new HETATM 0 H2 MTN N1111 1.263 -5.839 7.676 1.00 2.16 H new HETATM 3891 O1 MTN N1112 12.915 11.539 3.393 1.00 3.82 O HETATM 3892 N1 MTN N1112 12.201 11.090 4.339 1.00 3.29 N HETATM 3893 C1 MTN N1112 10.760 11.397 4.477 1.00 3.60 C HETATM 3894 C2 MTN N1112 10.457 10.636 5.714 1.00 3.18 C HETATM 3895 C3 MTN N1112 11.501 10.004 6.221 1.00 2.77 C HETATM 3896 C4 MTN N1112 11.473 9.164 7.455 1.00 2.96 C HETATM 3897 S1 MTN N1112 11.224 7.387 7.150 1.00 2.81 S HETATM 3898 C5 MTN N1112 12.760 10.217 5.411 1.00 2.94 C HETATM 3899 C6 MTN N1112 13.901 10.834 6.210 1.00 3.37 C HETATM 3900 C7 MTN N1112 13.192 8.890 4.778 1.00 3.48 C HETATM 3901 C8 MTN N1112 9.993 10.823 3.292 1.00 4.38 C HETATM 3902 C9 MTN N1112 10.479 12.887 4.647 1.00 4.29 C HETATM 0 H93 MTN N1112 10.981 13.252 5.543 1.00 4.29 H new HETATM 0 H92 MTN N1112 10.850 13.429 3.777 1.00 4.29 H new HETATM 0 H91 MTN N1112 9.405 13.046 4.743 1.00 4.29 H new HETATM 0 H83 MTN N1112 10.368 11.264 2.368 1.00 4.38 H new HETATM 0 H82 MTN N1112 10.129 9.742 3.260 1.00 4.38 H new HETATM 0 H81 MTN N1112 8.933 11.052 3.399 1.00 4.38 H new HETATM 0 H73 MTN N1112 12.329 8.409 4.317 1.00 3.48 H new HETATM 0 H72 MTN N1112 13.950 9.079 4.018 1.00 3.48 H new HETATM 0 H71 MTN N1112 13.604 8.237 5.547 1.00 3.48 H new HETATM 0 H63 MTN N1112 14.726 11.074 5.540 1.00 3.37 H new HETATM 0 H62 MTN N1112 13.553 11.745 6.698 1.00 3.37 H new HETATM 0 H61 MTN N1112 14.241 10.125 6.965 1.00 3.37 H new HETATM 0 H42 MTN N1112 12.411 9.300 7.994 1.00 2.96 H new HETATM 0 H41 MTN N1112 10.676 9.523 8.106 1.00 2.96 H new HETATM 0 H2 MTN N1112 9.465 10.601 6.163 1.00 3.18 H new HETATM 3918 O1 MTN N1113 -3.721 -4.476 -15.170 1.00 2.00 O HETATM 3919 N1 MTN N1113 -2.848 -3.555 -15.119 1.00 1.88 N HETATM 3920 C1 MTN N1113 -2.454 -2.754 -16.298 1.00 2.42 C HETATM 3921 C2 MTN N1113 -1.423 -1.882 -15.683 1.00 2.25 C HETATM 3922 C3 MTN N1113 -1.236 -2.104 -14.396 1.00 1.84 C HETATM 3923 C4 MTN N1113 -0.258 -1.369 -13.538 1.00 2.01 C HETATM 3924 S1 MTN N1113 1.185 -0.696 -14.431 1.00 1.95 S HETATM 3925 C5 MTN N1113 -2.129 -3.201 -13.859 1.00 2.02 C HETATM 3926 C6 MTN N1113 -1.364 -4.348 -13.207 1.00 2.90 C HETATM 3927 C7 MTN N1113 -3.137 -2.602 -12.878 1.00 2.70 C HETATM 3928 C8 MTN N1113 -3.634 -1.921 -16.771 1.00 3.13 C HETATM 3929 C9 MTN N1113 -1.882 -3.601 -17.435 1.00 3.33 C HETATM 0 H93 MTN N1113 -0.996 -4.130 -17.084 1.00 3.33 H new HETATM 0 H92 MTN N1113 -2.630 -4.323 -17.762 1.00 3.33 H new HETATM 0 H91 MTN N1113 -1.612 -2.955 -18.270 1.00 3.33 H new HETATM 0 H83 MTN N1113 -4.459 -2.580 -17.042 1.00 3.13 H new HETATM 0 H82 MTN N1113 -3.951 -1.252 -15.971 1.00 3.13 H new HETATM 0 H81 MTN N1113 -3.339 -1.333 -17.640 1.00 3.13 H new HETATM 0 H73 MTN N1113 -3.583 -1.709 -13.315 1.00 2.70 H new HETATM 0 H72 MTN N1113 -3.918 -3.332 -12.668 1.00 2.70 H new HETATM 0 H71 MTN N1113 -2.629 -2.337 -11.951 1.00 2.70 H new HETATM 0 H63 MTN N1113 -2.057 -5.151 -12.955 1.00 2.90 H new HETATM 0 H62 MTN N1113 -0.611 -4.723 -13.900 1.00 2.90 H new HETATM 0 H61 MTN N1113 -0.876 -3.991 -12.300 1.00 2.90 H new HETATM 0 H42 MTN N1113 -0.776 -0.548 -13.041 1.00 2.01 H new HETATM 0 H41 MTN N1113 0.097 -2.041 -12.757 1.00 2.01 H new HETATM 0 H2 MTN N1113 -0.871 -1.127 -16.243 1.00 2.25 H new CONECT 38 501 CONECT 501 38 CONECT 2775 3870 CONECT 2818 3897 CONECT 2984 3924 CONECT 3864 3865 CONECT 3865 3864 3866 3871 CONECT 3866 3865 3867 3874 3875 CONECT 3867 3866 3868 3876 CONECT 3868 3867 3869 3871 CONECT 3869 3868 3870 3877 3878 CONECT 3870 2775 3869 CONECT 3871 3865 3868 3872 3873 CONECT 3872 3871 3879 3880 3881 CONECT 3873 3871 3882 3883 3884 CONECT 3874 3866 3885 3886 3887 CONECT 3875 3866 3888 3889 3890 CONECT 3876 3867 CONECT 3877 3869 CONECT 3878 3869 CONECT 3879 3872 CONECT 3880 3872 CONECT 3881 3872 CONECT 3882 3873 CONECT 3883 3873 CONECT 3884 3873 CONECT 3885 3874 CONECT 3886 3874 CONECT 3887 3874 CONECT 3888 3875 CONECT 3889 3875 CONECT 3890 3875 CONECT 3891 3892 CONECT 3892 3891 3893 3898 CONECT 3893 3892 3894 3901 3902 CONECT 3894 3893 3895 3903 CONECT 3895 3894 3896 3898 CONECT 3896 3895 3897 3904 3905 CONECT 3897 2818 3896 CONECT 3898 3892 3895 3899 3900 CONECT 3899 3898 3906 3907 3908 CONECT 3900 3898 3909 3910 3911 CONECT 3901 3893 3912 3913 3914 CONECT 3902 3893 3915 3916 3917 CONECT 3903 3894 CONECT 3904 3896 CONECT 3905 3896 CONECT 3906 3899 CONECT 3907 3899 CONECT 3908 3899 CONECT 3909 3900 CONECT 3910 3900 CONECT 3911 3900 CONECT 3912 3901 CONECT 3913 3901 CONECT 3914 3901 CONECT 3915 3902 CONECT 3916 3902 CONECT 3917 3902 CONECT 3918 3919 CONECT 3919 3918 3920 3925 CONECT 3920 3919 3921 3928 3929 CONECT 3921 3920 3922 3930 CONECT 3922 3921 3923 3925 CONECT 3923 3922 3924 3931 3932 CONECT 3924 2984 3923 CONECT 3925 3919 3922 3926 3927 CONECT 3926 3925 3933 3934 3935 CONECT 3927 3925 3936 3937 3938 CONECT 3928 3920 3939 3940 3941 CONECT 3929 3920 3942 3943 3944 CONECT 3930 3921 CONECT 3931 3923 CONECT 3932 3923 CONECT 3933 3926 CONECT 3934 3926 CONECT 3935 3926 CONECT 3936 3927 CONECT 3937 3927 CONECT 3938 3927 CONECT 3939 3928 CONECT 3940 3928 CONECT 3941 3928 CONECT 3942 3929 CONECT 3943 3929 CONECT 3944 3929 END