USER MOD reduce.3.24.130724 H: found=0, std=0, add=1312, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1311 hydrogens (16 hets) HEADER CYTOKINE 17-DEC-98 1ILQ TITLE CXCR-1 N-TERMINAL PEPTIDE BOUND TO INTERLEUKIN-8 (MINIMIZED TITLE 2 MEAN) COMPND MOL_ID: 1; COMPND 2 MOLECULE: INTERLEUKIN-8 PRECURSOR; COMPND 3 CHAIN: A, B; COMPND 4 SYNONYM: IL-8; COMPND 5 ENGINEERED: YES; COMPND 6 MOL_ID: 2; COMPND 7 MOLECULE: INTERLEUKIN-8 RECEPTOR A; COMPND 8 CHAIN: C; COMPND 9 FRAGMENT: 9-29; COMPND 0 SYNONYM: IL8-RA; COMPND 1 ENGINEERED: YES; COMPND 2 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI K12; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 83333; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: K12; SOURCE 8 EXPRESSION_SYSTEM_CELLULAR_LOCATION: PERIPLASM; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 0 EXPRESSION_SYSTEM_VECTOR: ALKALINE PHOSPHATASE PROMOTER SOURCE 1 (PPHOA); SOURCE 2 EXPRESSION_SYSTEM_PLASMID: PPS0170; SOURCE 3 MOL_ID: 2; SOURCE 4 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 5 ORGANISM_COMMON: HUMAN; SOURCE 6 ORGANISM_TAXID: 9606 KEYWDS CYTOKINE EXPDTA SOLUTION NMR AUTHOR N.J.SKELTON,C.QUAN,H.LOWMAN REVDAT 3 24-FEB-09 1ILQ 1 VERSN REVDAT 2 22-DEC-99 1ILQ 4 HEADER COMPND REMARK JRNL REVDAT 2 2 4 ATOM SOURCE SEQRES REVDAT 1 23-DEC-98 1ILQ 0 JRNL AUTH N.J.SKELTON,C.QUAN,D.REILLY,H.LOWMAN JRNL TITL STRUCTURE OF A CXC CHEMOKINE-RECEPTOR FRAGMENT IN JRNL TITL 2 COMPLEX WITH INTERLEUKIN-8. JRNL REF STRUCTURE FOLD.DES. V. 7 157 1999 JRNL REFN ISSN 0969-2126 JRNL PMID 10368283 JRNL DOI 10.1016/S0969-2126(99)80022-7 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH M.R.ATTWOOD,ET AL. REMARK 1 TITL PEPTIDE BASED INHIBITORS OF IL-8: STRUCTURAL REMARK 1 TITL 2 SIMPLIFICATION AND IMPROVED POTENCY REMARK 1 REF BIOORG.MED.CHEM.LETT. V. 7 429 1997 REMARK 1 REFN ISSN 0960-894X REMARK 1 REFERENCE 2 REMARK 1 AUTH G.M.CLORE,E.APPELLA,M.YAMADA,A.M.GRONENBORN REMARK 1 TITL THREE-DIMENSIONAL STRUCTURE OF IL-8 IN SOLUTION REMARK 1 REF BIOCHEMISTRY V. 29 1689 1990 REMARK 1 REFN ISSN 0006-2960 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : DISCOVER REMARK 3 AUTHORS : BIOSYM REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: INITIAL COORDINATES FOR IL-8 WERE REMARK 3 TAKEN FROM PDB ENTRY 1IL8; A LINEAR CHAIN FOR THE CXCR-1 REMARK 3 FRAGMENT WAS BUILT IN INSIGHT (MSI). THE CXCR-1 FRAGMENT WAS REMARK 3 POSITIONED RANDOMLY WITH RESPECT TO IL8 - OBTAIN 40 STARTING REMARK 3 CONFORMATIONS. THE INITIAL STRUCTURES WERE THEN REFINED USING REMARK 3 RMD WITH THE AMBER ALL ATOM FORCE FIELD AS IMPLIMENTED WITHIN REMARK 3 DISCOVER. ALL OF IL8 MONOMER B AND PARTS OF IL8 MONOMER A (2- REMARK 3 7, 22-38 AND 51-72) WERE KEPT FIXED DURING THE REFINEMENT REMARK 3 SINCE CHEMICAL SHIFT CHANGES INDICATED THAT THESE PORTION OF REMARK 3 THE MOLECULE WERE NOT PERTURBED BY PEPTIDE BINDING. THIS MODEL REMARK 3 IS THE RESULT OF RESTRAINED ENERGY MINIMIZATION OF THE REMARK 3 GEOMETRIC MEAN OF 20 STRUCTURES FROM THE ENSEMBLE (ENTRY 1ILP) REMARK 3 SEE JRNL ENTRY FOR MORE DETAILS. REMARK 4 REMARK 4 1ILQ COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 308.00 REMARK 210 PH : 5.50 REMARK 210 IONIC STRENGTH : 0.15 M REMARK 210 PRESSURE : 1 ATM REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : ASSIGNMENT: SEE REFERENCE 1; REMARK 210 RESTRAINTS: 3D 15N-EDITED- REMARK 210 NOESY HSQC, 3D 13C-FILTERED, REMARK 210 13C-EDITED-NOESY HMQC, 2D 15N- REMARK 210 FILTERED NOESY, 2D 13C- REMARK 210 FILTERED NOESY (100MS), 15N- REMARK 210 FILTERED NOESY (ALL MIXING REMARK 210 TIMES = 100 MS) REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ REMARK 210 SPECTROMETER MODEL : AMX 500 REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : MSI DISCOVER DISCOVER DISCOVER REMARK 210 METHOD USED : RESTRAINED MOLECULAR DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 40 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : LEAST RESTRAINT VIOLATION REMARK 210 ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: THE ASSIGNMENTS WERE MADE USING TRIPLE RESONANCE NMR REMARK 210 EXPERIMENTS CONDUCTED ON 13C/15N LABELED IL-8 BOUND TO REMARK 210 UNLABELED CXCR-1 PEPTIDE (SEE JRNL ENTRY FOR MORE DETAILS) NOE REMARK 210 RESTRAINTS WERE OBTAINED FROM 15N EDITED EXPERIMENTS (INTRA REMARK 210 IL8), 13C OR 15N FILTERED EXPERIMENTS (INTRA CXCR-1) OR 13C- REMARK 210 FILTERED/ EDITED EXPERIMENTS (INTERMOLECULAR RESTRAINTS) REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 465 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 RES C SSSEQI REMARK 465 SER A 1 REMARK 465 SER B 1 REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS(RES=RESIDUE NAME; REMARK 470 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 470 RES CSSEQI ATOMS REMARK 470 ACA C 7 O2 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 TRP A 57 CG TRP A 57 CD2 -0.108 REMARK 500 HIS B 18 NE2 HIS B 18 CD2 -0.076 REMARK 500 TRP B 57 CG TRP B 57 CD2 -0.110 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 TRP A 57 CG - CD1 - NE1 ANGL. DEV. = -6.3 DEGREES REMARK 500 TRP A 57 CD1 - NE1 - CE2 ANGL. DEV. = 5.4 DEGREES REMARK 500 TRP A 57 NE1 - CE2 - CZ2 ANGL. DEV. = 8.9 DEGREES REMARK 500 TRP A 57 NE1 - CE2 - CD2 ANGL. DEV. = -6.9 DEGREES REMARK 500 TRP B 57 CG - CD1 - NE1 ANGL. DEV. = -6.4 DEGREES REMARK 500 TRP B 57 CD1 - NE1 - CE2 ANGL. DEV. = 5.6 DEGREES REMARK 500 TRP B 57 NE1 - CE2 - CZ2 ANGL. DEV. = 9.0 DEGREES REMARK 500 TRP B 57 NE1 - CE2 - CD2 ANGL. DEV. = -7.0 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 LYS A 3 -66.54 -130.81 REMARK 500 ASN A 36 -149.51 -140.28 REMARK 500 PRO A 53 -2.56 -59.24 REMARK 500 LYS B 3 -66.57 -130.86 REMARK 500 SER B 14 37.75 -99.02 REMARK 500 ASN B 36 -149.44 -140.28 REMARK 500 ASP B 45 -6.26 -59.16 REMARK 500 PRO B 53 -2.55 -59.37 REMARK 500 PHE C 4 -174.95 -65.89 REMARK 500 PRO C 9 -179.30 -56.77 REMARK 500 GLU C 13 102.64 -162.36 REMARK 500 ASP C 14 47.40 -146.37 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 ARG A 6 0.32 SIDE_CHAIN REMARK 500 ARG A 26 0.22 SIDE_CHAIN REMARK 500 ARG A 60 0.21 SIDE_CHAIN REMARK 500 ARG B 6 0.32 SIDE_CHAIN REMARK 500 ARG B 26 0.22 SIDE_CHAIN REMARK 500 ARG B 47 0.31 SIDE_CHAIN REMARK 500 ARG B 60 0.21 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NH2 C 18 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1ILP RELATED DB: PDB DBREF 1ILQ A 1 72 UNP P10145 IL8_HUMAN 28 99 DBREF 1ILQ B 1 72 UNP P10145 IL8_HUMAN 28 99 DBREF 1ILQ C 1 17 UNP P25024 CXCR1_HUMAN 20 29 SEQADV 1ILQ ACA C 7 UNP P25024 LEU 15 SEE REMARK 999 SEQADV 1ILQ C UNP P25024 ASN 16 SEE REMARK 999 SEQADV 1ILQ C UNP P25024 PHE 17 SEE REMARK 999 SEQADV 1ILQ C UNP P25024 THR 18 SEE REMARK 999 SEQADV 1ILQ C UNP P25024 GLY 19 SEE REMARK 999 SEQRES 1 A 72 SER ALA LYS GLU LEU ARG CYS GLN CYS ILE LYS THR TYR SEQRES 2 A 72 SER LYS PRO PHE HIS PRO LYS PHE ILE LYS GLU LEU ARG SEQRES 3 A 72 VAL ILE GLU SER GLY PRO HIS CYS ALA ASN THR GLU ILE SEQRES 4 A 72 ILE VAL LYS LEU SER ASP GLY ARG GLU LEU CYS LEU ASP SEQRES 5 A 72 PRO LYS GLU ASN TRP VAL GLN ARG VAL VAL GLU LYS PHE SEQRES 6 A 72 LEU LYS ARG ALA GLU ASN SER SEQRES 1 B 72 SER ALA LYS GLU LEU ARG CYS GLN CYS ILE LYS THR TYR SEQRES 2 B 72 SER LYS PRO PHE HIS PRO LYS PHE ILE LYS GLU LEU ARG SEQRES 3 B 72 VAL ILE GLU SER GLY PRO HIS CYS ALA ASN THR GLU ILE SEQRES 4 B 72 ILE VAL LYS LEU SER ASP GLY ARG GLU LEU CYS LEU ASP SEQRES 5 B 72 PRO LYS GLU ASN TRP VAL GLN ARG VAL VAL GLU LYS PHE SEQRES 6 B 72 LEU LYS ARG ALA GLU ASN SER SEQRES 1 C 19 ACE MET TRP ASP PHE ASP ASP ACA MET PRO PRO ALA ASP SEQRES 2 C 19 GLU ASP TYR SER PRO NH2 HET ACE C 0 6 HET ACA C 7 19 HET NH2 C 18 3 HETNAM ACE ACETYL GROUP HETNAM ACA 6-AMINOHEXANOIC ACID HETNAM NH2 AMINO GROUP HETSYN ACA AMINOCAPROIC ACID FORMUL 3 ACE C2 H4 O FORMUL 3 ACA C6 H13 N O2 FORMUL 3 NH2 H2 N HELIX 1 1 PRO A 19 PHE A 21 5 3 HELIX 2 2 ASN A 56 GLU A 70 1 15 HELIX 3 3 PRO B 19 PHE B 21 5 3 HELIX 4 4 ASN B 56 GLU B 70 1 15 SHEET 1 A 3 GLU A 48 LEU A 51 0 SHEET 2 A 3 GLU A 38 LEU A 43 -1 N VAL A 41 O LEU A 49 SHEET 3 A 3 ILE A 22 ILE A 28 -1 N ILE A 28 O GLU A 38 SHEET 1 B 3 ARG B 47 LEU B 51 0 SHEET 2 B 3 GLU B 38 LEU B 43 -1 N LEU B 43 O ARG B 47 SHEET 3 B 3 ILE B 22 ILE B 28 -1 N ILE B 28 O GLU B 38 SSBOND *** CYS A 7 CYS A 34 1555 1555 2.02 SSBOND *** CYS A 9 CYS A 50 1555 1555 2.04 SSBOND *** CYS B 7 CYS B 34 1555 1555 2.02 SSBOND *** CYS B 9 CYS B 50 1555 1555 2.02 LINK C ACE C 0 N MET C 1 1555 1555 1.34 LINK C PRO C 17 N NH2 C 18 1555 1555 1.33 LINK C ASP C 6 N6 ACA C 7 1555 1555 1.34 LINK C1 ACA C 7 N MET C 8 1555 1555 1.34 SITE *** AC2 2 GLN A 8 PRO C 17 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 NoAdj-H: C 7 ACAHN62 : C 7 ACA N6 : C 6 ASP C :(H bumps) USER MOD Single : A 3 LYS NZ :NH3+ -151:sc= -0.165 (180deg=-0.855) USER MOD Single : A 8 GLN :FLIP amide:sc= 0.505 F(o=-0.027,f=0.5) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 169:sc= 0.284 USER MOD Single : A 13 TYR OH : rot 180:sc= -0.079 USER MOD Single : A 14 SER OG : rot 180:sc= 0.0323 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HD1:sc=-0.00617 X(o=-0.0062,f=-0.48) USER MOD Single : A 20 LYS NZ :NH3+ -150:sc= 0.122 (180deg=0.00968) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 47:sc= 0.217 USER MOD Single : A 33 HIS : no HD1:sc= -1.45 K(o=-1.4,f=-5.7!) USER MOD Single : A 36 ASN : amide:sc= -2.63! C(o=-2.6!,f=-3.2!) USER MOD Single : A 37 THR OG1 : rot 134:sc= -0.0972 USER MOD Single : A 42 LYS NZ :NH3+ -136:sc= -0.0596 (180deg=-1.46!) USER MOD Single : A 44 SER OG : rot -87:sc= 0.608 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.0855 K(o=-0.085,f=-1.1) USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.6 K(o=-0.6,f=-2!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : B 3 LYS NZ :NH3+ -144:sc= -0.0811 (180deg=-0.836) USER MOD Single : B 8 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : B 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 13 TYR OH : rot 180:sc= 0 USER MOD Single : B 14 SER OG : rot 180:sc= -0.0306 USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 HIS : no HD1:sc= -2.36 K(o=-2.4,f=-14!) USER MOD Single : B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 SER OG : rot 50:sc= 0.249 USER MOD Single : B 33 HIS : no HD1:sc= -3.22 K(o=-3.2,f=-7.4!) USER MOD Single : B 36 ASN : amide:sc= -2.66! C(o=-2.7!,f=-3.2!) USER MOD Single : B 37 THR OG1 : rot 137:sc= 0.00286 USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 44 SER OG : rot 180:sc= -0.107 USER MOD Single : B 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 56 ASN : amide:sc= -0.062 K(o=-0.062,f=-1) USER MOD Single : B 59 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : B 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 71 ASN : amide:sc= -0.609 K(o=-0.61,f=-2!) USER MOD Single : B 72 SER OG : rot 180:sc= 0 USER MOD Single : C 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 8 MET CE :methyl 167:sc= -0.0171 (180deg=-0.254) USER MOD Single : C 15 TYR OH : rot 30:sc= 0 USER MOD Single : C 16 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -25.003 5.035 -13.225 1.00 5.91 N ATOM 2 CA ALA A 2 -24.545 4.671 -14.598 1.00 5.70 C ATOM 3 C ALA A 2 -24.871 5.812 -15.566 1.00 5.15 C ATOM 4 O ALA A 2 -25.774 5.705 -16.371 1.00 5.42 O ATOM 5 CB ALA A 2 -25.237 3.395 -15.075 1.00 6.12 C ATOM 0 HA ALA A 2 -23.469 4.501 -14.571 1.00 5.70 H new ATOM 0 HB1 ALA A 2 -24.890 3.146 -16.078 1.00 6.12 H new ATOM 0 HB2 ALA A 2 -25.000 2.577 -14.395 1.00 6.12 H new ATOM 0 HB3 ALA A 2 -26.316 3.551 -15.093 1.00 6.12 H new ATOM 10 N LYS A 3 -24.123 6.884 -15.460 1.00 4.74 N ATOM 11 CA LYS A 3 -24.364 8.053 -16.363 1.00 4.44 C ATOM 12 C LYS A 3 -23.044 8.513 -16.992 1.00 3.72 C ATOM 13 O LYS A 3 -22.852 8.403 -18.187 1.00 3.93 O ATOM 14 CB LYS A 3 -24.975 9.208 -15.555 1.00 5.01 C ATOM 15 CG LYS A 3 -25.476 8.685 -14.196 1.00 5.72 C ATOM 16 CD LYS A 3 -24.283 8.378 -13.275 1.00 6.38 C ATOM 17 CE LYS A 3 -24.395 9.230 -12.008 1.00 7.00 C ATOM 18 NZ LYS A 3 -24.457 10.678 -12.356 1.00 7.41 N ATOM 0 H LYS A 3 -23.361 7.000 -14.792 1.00 4.74 H new ATOM 0 HA LYS A 3 -25.052 7.755 -17.155 1.00 4.44 H new ATOM 0 HB2 LYS A 3 -24.232 9.991 -15.402 1.00 5.01 H new ATOM 0 HB3 LYS A 3 -25.800 9.656 -16.109 1.00 5.01 H new ATOM 0 HG2 LYS A 3 -26.124 9.426 -13.729 1.00 5.72 H new ATOM 0 HG3 LYS A 3 -26.074 7.785 -14.342 1.00 5.72 H new ATOM 0 HD2 LYS A 3 -24.271 7.319 -13.016 1.00 6.38 H new ATOM 0 HD3 LYS A 3 -23.346 8.591 -13.790 1.00 6.38 H new ATOM 0 HE2 LYS A 3 -25.287 8.946 -11.449 1.00 7.00 H new ATOM 0 HE3 LYS A 3 -23.539 9.042 -11.360 1.00 7.00 H new ATOM 0 HZ1 LYS A 3 -24.051 11.239 -11.580 1.00 7.41 H new ATOM 0 HZ2 LYS A 3 -23.916 10.849 -13.227 1.00 7.41 H new ATOM 0 HZ3 LYS A 3 -25.448 10.957 -12.504 1.00 7.41 H new ATOM 32 N GLU A 4 -22.162 9.019 -16.174 1.00 3.22 N ATOM 33 CA GLU A 4 -20.848 9.490 -16.707 1.00 2.71 C ATOM 34 C GLU A 4 -19.730 9.193 -15.701 1.00 2.35 C ATOM 35 O GLU A 4 -19.807 9.588 -14.555 1.00 2.67 O ATOM 36 CB GLU A 4 -20.921 10.995 -16.957 1.00 3.04 C ATOM 37 CG GLU A 4 -22.168 11.304 -17.788 1.00 3.68 C ATOM 38 CD GLU A 4 -22.093 12.745 -18.300 1.00 4.07 C ATOM 39 OE1 GLU A 4 -21.085 13.369 -18.009 1.00 4.41 O ATOM 40 OE2 GLU A 4 -23.047 13.138 -18.950 1.00 4.37 O ATOM 0 H GLU A 4 -22.290 9.127 -15.168 1.00 3.22 H new ATOM 0 HA GLU A 4 -20.631 8.967 -17.639 1.00 2.71 H new ATOM 0 HB2 GLU A 4 -20.958 11.532 -16.009 1.00 3.04 H new ATOM 0 HB3 GLU A 4 -20.027 11.333 -17.481 1.00 3.04 H new ATOM 0 HG2 GLU A 4 -22.240 10.612 -18.627 1.00 3.68 H new ATOM 0 HG3 GLU A 4 -23.065 11.167 -17.183 1.00 3.68 H new ATOM 47 N LEU A 5 -18.717 8.503 -16.159 1.00 2.29 N ATOM 48 CA LEU A 5 -17.575 8.165 -15.253 1.00 2.33 C ATOM 49 C LEU A 5 -16.249 8.490 -15.946 1.00 1.53 C ATOM 50 O LEU A 5 -16.030 8.113 -17.080 1.00 1.70 O ATOM 51 CB LEU A 5 -17.624 6.673 -14.924 1.00 3.39 C ATOM 52 CG LEU A 5 -18.838 6.391 -14.037 1.00 4.32 C ATOM 53 CD1 LEU A 5 -19.668 5.270 -14.664 1.00 5.10 C ATOM 54 CD2 LEU A 5 -18.358 5.949 -12.653 1.00 5.08 C ATOM 0 H LEU A 5 -18.630 8.160 -17.116 1.00 2.29 H new ATOM 0 HA LEU A 5 -17.652 8.750 -14.336 1.00 2.33 H new ATOM 0 HB2 LEU A 5 -17.686 6.088 -15.842 1.00 3.39 H new ATOM 0 HB3 LEU A 5 -16.709 6.371 -14.415 1.00 3.39 H new ATOM 0 HG LEU A 5 -19.445 7.292 -13.945 1.00 4.32 H new ATOM 0 HD11 LEU A 5 -20.535 5.064 -14.036 1.00 5.10 H new ATOM 0 HD12 LEU A 5 -20.002 5.576 -15.655 1.00 5.10 H new ATOM 0 HD13 LEU A 5 -19.059 4.370 -14.748 1.00 5.10 H new ATOM 0 HD21 LEU A 5 -19.219 5.747 -12.017 1.00 5.08 H new ATOM 0 HD22 LEU A 5 -17.757 5.045 -12.748 1.00 5.08 H new ATOM 0 HD23 LEU A 5 -17.755 6.740 -12.207 1.00 5.08 H new ATOM 66 N ARG A 6 -15.386 9.183 -15.248 1.00 1.26 N ATOM 67 CA ARG A 6 -14.075 9.547 -15.859 1.00 0.81 C ATOM 68 C ARG A 6 -12.987 8.559 -15.428 1.00 0.64 C ATOM 69 O ARG A 6 -13.079 7.946 -14.384 1.00 0.62 O ATOM 70 CB ARG A 6 -13.670 10.959 -15.411 1.00 1.42 C ATOM 71 CG ARG A 6 -14.918 11.824 -15.184 1.00 1.65 C ATOM 72 CD ARG A 6 -15.721 11.906 -16.481 1.00 2.03 C ATOM 73 NE ARG A 6 -16.631 13.084 -16.409 1.00 2.55 N ATOM 74 CZ ARG A 6 -16.387 14.128 -17.151 1.00 3.09 C ATOM 75 NH1 ARG A 6 -16.890 14.176 -18.354 1.00 3.67 N ATOM 76 NH2 ARG A 6 -15.649 15.089 -16.667 1.00 3.44 N ATOM 0 H ARG A 6 -15.531 9.509 -14.292 1.00 1.26 H new ATOM 0 HA ARG A 6 -14.180 9.514 -16.943 1.00 0.81 H new ATOM 0 HB2 ARG A 6 -13.086 10.903 -14.492 1.00 1.42 H new ATOM 0 HB3 ARG A 6 -13.033 11.419 -16.166 1.00 1.42 H new ATOM 0 HG2 ARG A 6 -15.531 11.397 -14.390 1.00 1.65 H new ATOM 0 HG3 ARG A 6 -14.627 12.823 -14.859 1.00 1.65 H new ATOM 0 HD2 ARG A 6 -15.050 11.999 -17.335 1.00 2.03 H new ATOM 0 HD3 ARG A 6 -16.297 10.992 -16.626 1.00 2.03 H new ATOM 0 HE ARG A 6 -17.438 13.074 -15.785 1.00 2.55 H new ATOM 0 HH11 ARG A 6 -17.463 13.405 -18.698 1.00 3.67 H new ATOM 0 HH12 ARG A 6 -16.711 14.984 -18.950 1.00 3.67 H new ATOM 0 HH21 ARG A 6 -15.273 15.016 -15.722 1.00 3.44 H new ATOM 0 HH22 ARG A 6 -15.448 15.913 -17.234 1.00 3.44 H new ATOM 90 N CYS A 7 -11.976 8.432 -16.247 1.00 0.57 N ATOM 91 CA CYS A 7 -10.864 7.498 -15.903 1.00 0.44 C ATOM 92 C CYS A 7 -10.184 7.955 -14.608 1.00 0.41 C ATOM 93 O CYS A 7 -10.255 9.112 -14.248 1.00 0.48 O ATOM 94 CB CYS A 7 -9.840 7.507 -17.037 1.00 0.46 C ATOM 95 SG CYS A 7 -10.207 6.514 -18.502 1.00 0.50 S ATOM 0 H CYS A 7 -11.872 8.930 -17.131 1.00 0.57 H new ATOM 0 HA CYS A 7 -11.263 6.493 -15.765 1.00 0.44 H new ATOM 0 HB2 CYS A 7 -9.702 8.540 -17.357 1.00 0.46 H new ATOM 0 HB3 CYS A 7 -8.886 7.169 -16.632 1.00 0.46 H new ATOM 100 N GLN A 8 -9.484 7.064 -13.896 1.00 0.35 N ATOM 101 CA GLN A 8 -8.831 7.423 -12.640 1.00 0.38 C ATOM 102 C GLN A 8 -7.802 8.529 -12.872 1.00 0.38 C ATOM 103 O GLN A 8 -7.807 9.535 -12.165 1.00 0.45 O ATOM 104 CB GLN A 8 -8.221 6.178 -11.983 1.00 0.38 C ATOM 105 CG GLN A 8 -9.244 5.525 -11.045 1.00 0.45 C ATOM 106 CD GLN A 8 -9.241 6.182 -9.668 1.00 0.77 C ATOM 107 OE1 GLN A 8 -8.381 5.700 -8.768 1.00 1.49 O flip ATOM 108 NE2 GLN A 8 -10.002 7.113 -9.417 1.00 1.36 N flip ATOM 0 H GLN A 8 -9.358 6.090 -14.172 1.00 0.35 H new ATOM 0 HA GLN A 8 -9.572 7.820 -11.946 1.00 0.38 H new ATOM 0 HB2 GLN A 8 -7.912 5.467 -12.749 1.00 0.38 H new ATOM 0 HB3 GLN A 8 -7.327 6.453 -11.424 1.00 0.38 H new ATOM 0 HG2 GLN A 8 -10.240 5.600 -11.482 1.00 0.45 H new ATOM 0 HG3 GLN A 8 -9.019 4.463 -10.943 1.00 0.45 H new ATOM 0 HE21 GLN A 8 -10.645 7.453 -10.132 1.00 1.36 H new ATOM 0 HE22 GLN A 8 -9.991 7.546 -8.494 1.00 1.36 H new ATOM 117 N CYS A 9 -6.934 8.348 -13.870 1.00 0.34 N ATOM 118 CA CYS A 9 -6.000 9.377 -14.290 1.00 0.38 C ATOM 119 C CYS A 9 -6.724 10.436 -15.118 1.00 0.34 C ATOM 120 O CYS A 9 -7.150 10.166 -16.240 1.00 0.44 O ATOM 121 CB CYS A 9 -4.849 8.741 -15.071 1.00 0.49 C ATOM 122 SG CYS A 9 -3.776 7.717 -14.041 1.00 0.78 S ATOM 0 H CYS A 9 -6.864 7.482 -14.405 1.00 0.34 H new ATOM 0 HA CYS A 9 -5.581 9.872 -13.414 1.00 0.38 H new ATOM 0 HB2 CYS A 9 -5.258 8.132 -15.877 1.00 0.49 H new ATOM 0 HB3 CYS A 9 -4.254 9.528 -15.535 1.00 0.49 H new ATOM 127 N ILE A 10 -6.849 11.642 -14.551 1.00 0.44 N ATOM 128 CA ILE A 10 -7.406 12.813 -15.219 1.00 0.57 C ATOM 129 C ILE A 10 -6.534 13.140 -16.432 1.00 0.53 C ATOM 130 O ILE A 10 -7.035 13.305 -17.542 1.00 0.69 O ATOM 131 CB ILE A 10 -7.474 14.024 -14.263 1.00 0.78 C ATOM 132 CG1 ILE A 10 -7.982 13.661 -12.856 1.00 0.86 C ATOM 133 CG2 ILE A 10 -8.371 15.111 -14.871 1.00 0.97 C ATOM 134 CD1 ILE A 10 -6.820 13.600 -11.857 1.00 1.24 C ATOM 0 H ILE A 10 -6.557 11.830 -13.592 1.00 0.44 H new ATOM 0 HA ILE A 10 -8.425 12.594 -15.538 1.00 0.57 H new ATOM 0 HB ILE A 10 -6.454 14.389 -14.145 1.00 0.78 H new ATOM 0 HG12 ILE A 10 -8.713 14.400 -12.526 1.00 0.86 H new ATOM 0 HG13 ILE A 10 -8.493 12.699 -12.886 1.00 0.86 H new ATOM 0 HG21 ILE A 10 -8.418 15.965 -14.195 1.00 0.97 H new ATOM 0 HG22 ILE A 10 -7.959 15.429 -15.829 1.00 0.97 H new ATOM 0 HG23 ILE A 10 -9.374 14.712 -15.022 1.00 0.97 H new ATOM 0 HD11 ILE A 10 -7.202 13.342 -10.869 1.00 1.24 H new ATOM 0 HD12 ILE A 10 -6.104 12.844 -12.178 1.00 1.24 H new ATOM 0 HD13 ILE A 10 -6.327 14.571 -11.813 1.00 1.24 H new ATOM 146 N LYS A 11 -5.221 13.224 -16.191 1.00 0.49 N ATOM 147 CA LYS A 11 -4.186 13.403 -17.196 1.00 0.47 C ATOM 148 C LYS A 11 -3.026 12.471 -16.857 1.00 0.42 C ATOM 149 O LYS A 11 -3.067 11.761 -15.853 1.00 0.62 O ATOM 150 CB LYS A 11 -3.696 14.862 -17.270 1.00 0.56 C ATOM 151 CG LYS A 11 -4.501 15.867 -16.440 1.00 1.39 C ATOM 152 CD LYS A 11 -3.944 17.282 -16.623 1.00 1.86 C ATOM 153 CE LYS A 11 -4.329 17.901 -17.972 1.00 2.62 C ATOM 154 NZ LYS A 11 -3.874 19.298 -18.063 1.00 3.10 N ATOM 0 H LYS A 11 -4.842 13.166 -15.246 1.00 0.49 H new ATOM 0 HA LYS A 11 -4.600 13.162 -18.175 1.00 0.47 H new ATOM 0 HB2 LYS A 11 -2.657 14.896 -16.943 1.00 0.56 H new ATOM 0 HB3 LYS A 11 -3.713 15.181 -18.312 1.00 0.56 H new ATOM 0 HG2 LYS A 11 -5.548 15.840 -16.741 1.00 1.39 H new ATOM 0 HG3 LYS A 11 -4.465 15.589 -15.387 1.00 1.39 H new ATOM 0 HD2 LYS A 11 -4.311 17.919 -15.818 1.00 1.86 H new ATOM 0 HD3 LYS A 11 -2.858 17.254 -16.538 1.00 1.86 H new ATOM 0 HE2 LYS A 11 -3.889 17.319 -18.782 1.00 2.62 H new ATOM 0 HE3 LYS A 11 -5.411 17.858 -18.100 1.00 2.62 H new ATOM 0 HZ1 LYS A 11 -4.147 19.693 -18.986 1.00 3.10 H new ATOM 0 HZ2 LYS A 11 -4.313 19.856 -17.304 1.00 3.10 H new ATOM 0 HZ3 LYS A 11 -2.839 19.333 -17.964 1.00 3.10 H new ATOM 168 N THR A 12 -1.989 12.494 -17.698 1.00 0.38 N ATOM 169 CA THR A 12 -0.764 11.741 -17.491 1.00 0.33 C ATOM 170 C THR A 12 0.425 12.696 -17.580 1.00 0.32 C ATOM 171 O THR A 12 0.426 13.637 -18.374 1.00 0.37 O ATOM 172 CB THR A 12 -0.649 10.588 -18.496 1.00 0.35 C ATOM 173 OG1 THR A 12 -0.697 11.076 -19.823 1.00 0.39 O ATOM 174 CG2 THR A 12 -1.753 9.546 -18.293 1.00 0.39 C ATOM 0 H THR A 12 -1.984 13.048 -18.554 1.00 0.38 H new ATOM 0 HA THR A 12 -0.776 11.287 -16.500 1.00 0.33 H new ATOM 0 HB THR A 12 0.313 10.105 -18.322 1.00 0.35 H new ATOM 0 HG1 THR A 12 -0.452 10.359 -20.444 1.00 0.39 H new ATOM 0 HG21 THR A 12 -1.637 8.746 -19.024 1.00 0.39 H new ATOM 0 HG22 THR A 12 -1.682 9.132 -17.287 1.00 0.39 H new ATOM 0 HG23 THR A 12 -2.727 10.018 -18.423 1.00 0.39 H new ATOM 182 N TYR A 13 1.435 12.441 -16.746 1.00 0.30 N ATOM 183 CA TYR A 13 2.627 13.251 -16.613 1.00 0.31 C ATOM 184 C TYR A 13 3.636 12.812 -17.664 1.00 0.33 C ATOM 185 O TYR A 13 4.514 11.994 -17.391 1.00 0.49 O ATOM 186 CB TYR A 13 3.168 13.099 -15.189 1.00 0.33 C ATOM 187 CG TYR A 13 4.268 14.077 -14.838 1.00 0.36 C ATOM 188 CD1 TYR A 13 3.956 15.441 -14.708 1.00 0.41 C ATOM 189 CD2 TYR A 13 5.589 13.636 -14.637 1.00 0.38 C ATOM 190 CE1 TYR A 13 4.959 16.369 -14.392 1.00 0.47 C ATOM 191 CE2 TYR A 13 6.597 14.564 -14.327 1.00 0.43 C ATOM 192 CZ TYR A 13 6.289 15.933 -14.230 1.00 0.47 C ATOM 193 OH TYR A 13 7.282 16.832 -13.973 1.00 0.54 O ATOM 0 H TYR A 13 1.436 11.632 -16.125 1.00 0.30 H new ATOM 0 HA TYR A 13 2.412 14.307 -16.777 1.00 0.31 H new ATOM 0 HB2 TYR A 13 2.346 13.225 -14.484 1.00 0.33 H new ATOM 0 HB3 TYR A 13 3.545 12.084 -15.061 1.00 0.33 H new ATOM 0 HD1 TYR A 13 2.939 15.776 -14.852 1.00 0.41 H new ATOM 0 HD2 TYR A 13 5.828 12.586 -14.721 1.00 0.38 H new ATOM 0 HE1 TYR A 13 4.713 17.414 -14.273 1.00 0.47 H new ATOM 0 HE2 TYR A 13 7.610 14.226 -14.163 1.00 0.43 H new ATOM 0 HH TYR A 13 8.137 16.360 -13.889 1.00 0.54 H new ATOM 203 N SER A 14 3.501 13.362 -18.873 1.00 0.33 N ATOM 204 CA SER A 14 4.333 13.041 -20.018 1.00 0.33 C ATOM 205 C SER A 14 5.673 13.787 -19.956 1.00 0.34 C ATOM 206 O SER A 14 6.078 14.422 -20.928 1.00 0.41 O ATOM 207 CB SER A 14 3.526 13.370 -21.281 1.00 0.36 C ATOM 208 OG SER A 14 3.002 14.679 -21.187 1.00 0.41 O ATOM 0 H SER A 14 2.788 14.061 -19.080 1.00 0.33 H new ATOM 0 HA SER A 14 4.593 11.982 -20.025 1.00 0.33 H new ATOM 0 HB2 SER A 14 4.162 13.285 -22.162 1.00 0.36 H new ATOM 0 HB3 SER A 14 2.715 12.652 -21.403 1.00 0.36 H new ATOM 0 HG SER A 14 2.489 14.885 -21.996 1.00 0.41 H new ATOM 214 N LYS A 15 6.360 13.710 -18.807 1.00 0.34 N ATOM 215 CA LYS A 15 7.649 14.343 -18.566 1.00 0.37 C ATOM 216 C LYS A 15 8.535 13.360 -17.788 1.00 0.35 C ATOM 217 O LYS A 15 8.137 12.942 -16.702 1.00 0.33 O ATOM 218 CB LYS A 15 7.452 15.633 -17.760 1.00 0.41 C ATOM 219 CG LYS A 15 6.616 16.685 -18.499 1.00 0.99 C ATOM 220 CD LYS A 15 6.507 17.954 -17.646 1.00 1.30 C ATOM 221 CE LYS A 15 5.614 18.997 -18.324 1.00 1.87 C ATOM 222 NZ LYS A 15 5.472 20.201 -17.489 1.00 2.64 N ATOM 0 H LYS A 15 6.017 13.188 -18.001 1.00 0.34 H new ATOM 0 HA LYS A 15 8.126 14.599 -19.512 1.00 0.37 H new ATOM 0 HB2 LYS A 15 6.967 15.392 -16.814 1.00 0.41 H new ATOM 0 HB3 LYS A 15 8.427 16.056 -17.520 1.00 0.41 H new ATOM 0 HG2 LYS A 15 7.076 16.919 -19.459 1.00 0.99 H new ATOM 0 HG3 LYS A 15 5.622 16.291 -18.709 1.00 0.99 H new ATOM 0 HD2 LYS A 15 6.100 17.704 -16.666 1.00 1.30 H new ATOM 0 HD3 LYS A 15 7.500 18.372 -17.482 1.00 1.30 H new ATOM 0 HE2 LYS A 15 6.038 19.270 -19.290 1.00 1.87 H new ATOM 0 HE3 LYS A 15 4.631 18.567 -18.517 1.00 1.87 H new ATOM 0 HZ1 LYS A 15 4.862 20.890 -17.974 1.00 2.64 H new ATOM 0 HZ2 LYS A 15 5.045 19.942 -16.577 1.00 2.64 H new ATOM 0 HZ3 LYS A 15 6.409 20.623 -17.326 1.00 2.64 H new ATOM 236 N PRO A 16 9.718 12.977 -18.305 1.00 0.37 N ATOM 237 CA PRO A 16 10.665 12.118 -17.605 1.00 0.37 C ATOM 238 C PRO A 16 11.053 12.630 -16.215 1.00 0.37 C ATOM 239 O PRO A 16 11.149 13.837 -15.997 1.00 0.42 O ATOM 240 CB PRO A 16 11.907 12.047 -18.499 1.00 0.42 C ATOM 241 CG PRO A 16 11.367 12.331 -19.896 1.00 0.45 C ATOM 242 CD PRO A 16 10.214 13.298 -19.634 1.00 0.41 C ATOM 0 HA PRO A 16 10.205 11.145 -17.432 1.00 0.37 H new ATOM 0 HB2 PRO A 16 12.656 12.782 -18.203 1.00 0.42 H new ATOM 0 HB3 PRO A 16 12.383 11.068 -18.446 1.00 0.42 H new ATOM 0 HG2 PRO A 16 12.127 12.775 -20.539 1.00 0.45 H new ATOM 0 HG3 PRO A 16 11.025 11.421 -20.388 1.00 0.45 H new ATOM 0 HD2 PRO A 16 10.553 14.333 -19.685 1.00 0.41 H new ATOM 0 HD3 PRO A 16 9.430 13.182 -20.382 1.00 0.41 H new ATOM 250 N PHE A 17 11.287 11.694 -15.287 1.00 0.35 N ATOM 251 CA PHE A 17 11.806 11.942 -13.947 1.00 0.36 C ATOM 252 C PHE A 17 12.333 10.619 -13.376 1.00 0.37 C ATOM 253 O PHE A 17 12.090 9.560 -13.954 1.00 0.61 O ATOM 254 CB PHE A 17 10.759 12.620 -13.047 1.00 0.35 C ATOM 255 CG PHE A 17 9.605 11.743 -12.601 1.00 0.36 C ATOM 256 CD1 PHE A 17 8.687 11.236 -13.541 1.00 0.63 C ATOM 257 CD2 PHE A 17 9.427 11.465 -11.233 1.00 0.31 C ATOM 258 CE1 PHE A 17 7.639 10.400 -13.122 1.00 0.75 C ATOM 259 CE2 PHE A 17 8.361 10.654 -10.812 1.00 0.32 C ATOM 260 CZ PHE A 17 7.480 10.102 -11.758 1.00 0.56 C ATOM 0 H PHE A 17 11.111 10.705 -15.462 1.00 0.35 H new ATOM 0 HA PHE A 17 12.634 12.649 -13.993 1.00 0.36 H new ATOM 0 HB2 PHE A 17 11.263 13.003 -12.160 1.00 0.35 H new ATOM 0 HB3 PHE A 17 10.353 13.480 -13.579 1.00 0.35 H new ATOM 0 HD1 PHE A 17 8.789 11.490 -14.586 1.00 0.63 H new ATOM 0 HD2 PHE A 17 10.111 11.876 -10.506 1.00 0.31 H new ATOM 0 HE1 PHE A 17 6.955 9.986 -13.848 1.00 0.75 H new ATOM 0 HE2 PHE A 17 8.218 10.454 -9.760 1.00 0.32 H new ATOM 0 HZ PHE A 17 6.682 9.449 -11.437 1.00 0.56 H new ATOM 270 N HIS A 18 13.064 10.668 -12.256 1.00 0.32 N ATOM 271 CA HIS A 18 13.774 9.515 -11.714 1.00 0.29 C ATOM 272 C HIS A 18 12.843 8.574 -10.933 1.00 0.25 C ATOM 273 O HIS A 18 11.836 9.023 -10.388 1.00 0.27 O ATOM 274 CB HIS A 18 14.907 10.018 -10.811 1.00 0.33 C ATOM 275 CG HIS A 18 16.040 10.724 -11.517 1.00 0.33 C ATOM 276 ND1 HIS A 18 17.157 11.160 -10.805 1.00 0.30 N ATOM 277 CD2 HIS A 18 16.205 11.049 -12.839 1.00 0.39 C ATOM 278 CE1 HIS A 18 17.944 11.736 -11.718 1.00 0.35 C ATOM 279 NE2 HIS A 18 17.419 11.695 -12.952 1.00 0.40 N ATOM 0 H HIS A 18 13.177 11.516 -11.701 1.00 0.32 H new ATOM 0 HA HIS A 18 14.179 8.936 -12.544 1.00 0.29 H new ATOM 0 HB2 HIS A 18 14.484 10.698 -10.072 1.00 0.33 H new ATOM 0 HB3 HIS A 18 15.316 9.168 -10.265 1.00 0.33 H new ATOM 0 HD2 HIS A 18 15.514 10.839 -13.642 1.00 0.39 H new ATOM 0 HE1 HIS A 18 18.899 12.186 -11.488 1.00 0.35 H new ATOM 0 HE2 HIS A 18 17.835 12.068 -13.805 1.00 0.40 H new ATOM 287 N PRO A 19 13.173 7.271 -10.859 1.00 0.24 N ATOM 288 CA PRO A 19 12.435 6.288 -10.074 1.00 0.25 C ATOM 289 C PRO A 19 12.696 6.427 -8.569 1.00 0.28 C ATOM 290 O PRO A 19 11.944 5.865 -7.775 1.00 0.32 O ATOM 291 CB PRO A 19 12.929 4.928 -10.574 1.00 0.29 C ATOM 292 CG PRO A 19 14.376 5.213 -10.968 1.00 0.30 C ATOM 293 CD PRO A 19 14.297 6.632 -11.531 1.00 0.27 C ATOM 0 HA PRO A 19 11.360 6.421 -10.199 1.00 0.25 H new ATOM 0 HB2 PRO A 19 12.865 4.165 -9.798 1.00 0.29 H new ATOM 0 HB3 PRO A 19 12.343 4.572 -11.421 1.00 0.29 H new ATOM 0 HG2 PRO A 19 15.048 5.154 -10.112 1.00 0.30 H new ATOM 0 HG3 PRO A 19 14.741 4.503 -11.710 1.00 0.30 H new ATOM 0 HD2 PRO A 19 15.223 7.177 -11.346 1.00 0.27 H new ATOM 0 HD3 PRO A 19 14.147 6.615 -12.611 1.00 0.27 H new ATOM 301 N LYS A 20 13.749 7.158 -8.171 1.00 0.28 N ATOM 302 CA LYS A 20 14.155 7.336 -6.778 1.00 0.32 C ATOM 303 C LYS A 20 13.009 7.828 -5.887 1.00 0.32 C ATOM 304 O LYS A 20 12.946 7.483 -4.709 1.00 0.48 O ATOM 305 CB LYS A 20 15.363 8.283 -6.706 1.00 0.39 C ATOM 306 CG LYS A 20 15.010 9.733 -7.074 1.00 0.59 C ATOM 307 CD LYS A 20 16.253 10.603 -7.295 1.00 0.58 C ATOM 308 CE LYS A 20 17.044 10.815 -6.001 1.00 0.60 C ATOM 309 NZ LYS A 20 18.142 11.775 -6.200 1.00 1.45 N ATOM 0 H LYS A 20 14.353 7.651 -8.829 1.00 0.28 H new ATOM 0 HA LYS A 20 14.442 6.359 -6.389 1.00 0.32 H new ATOM 0 HB2 LYS A 20 15.777 8.260 -5.698 1.00 0.39 H new ATOM 0 HB3 LYS A 20 16.141 7.922 -7.378 1.00 0.39 H new ATOM 0 HG2 LYS A 20 14.402 9.737 -7.979 1.00 0.59 H new ATOM 0 HG3 LYS A 20 14.403 10.168 -6.280 1.00 0.59 H new ATOM 0 HD2 LYS A 20 16.896 10.134 -8.040 1.00 0.58 H new ATOM 0 HD3 LYS A 20 15.951 11.570 -7.698 1.00 0.58 H new ATOM 0 HE2 LYS A 20 16.377 11.178 -5.219 1.00 0.60 H new ATOM 0 HE3 LYS A 20 17.448 9.862 -5.658 1.00 0.60 H new ATOM 0 HZ1 LYS A 20 18.925 11.545 -5.556 1.00 1.45 H new ATOM 0 HZ2 LYS A 20 18.475 11.722 -7.184 1.00 1.45 H new ATOM 0 HZ3 LYS A 20 17.802 12.738 -6.001 1.00 1.45 H new ATOM 323 N PHE A 21 12.108 8.635 -6.458 1.00 0.30 N ATOM 324 CA PHE A 21 10.995 9.254 -5.758 1.00 0.30 C ATOM 325 C PHE A 21 9.821 8.297 -5.522 1.00 0.25 C ATOM 326 O PHE A 21 8.861 8.698 -4.865 1.00 0.35 O ATOM 327 CB PHE A 21 10.531 10.467 -6.577 1.00 0.36 C ATOM 328 CG PHE A 21 11.619 11.493 -6.811 1.00 0.38 C ATOM 329 CD1 PHE A 21 12.083 12.266 -5.734 1.00 0.48 C ATOM 330 CD2 PHE A 21 12.169 11.675 -8.094 1.00 0.38 C ATOM 331 CE1 PHE A 21 13.127 13.187 -5.931 1.00 0.55 C ATOM 332 CE2 PHE A 21 13.197 12.611 -8.294 1.00 0.44 C ATOM 333 CZ PHE A 21 13.678 13.367 -7.212 1.00 0.51 C ATOM 0 H PHE A 21 12.141 8.878 -7.448 1.00 0.30 H new ATOM 0 HA PHE A 21 11.342 9.553 -4.769 1.00 0.30 H new ATOM 0 HB2 PHE A 21 10.155 10.122 -7.540 1.00 0.36 H new ATOM 0 HB3 PHE A 21 9.697 10.945 -6.062 1.00 0.36 H new ATOM 0 HD1 PHE A 21 11.639 12.153 -4.756 1.00 0.48 H new ATOM 0 HD2 PHE A 21 11.800 11.094 -8.926 1.00 0.38 H new ATOM 0 HE1 PHE A 21 13.507 13.758 -5.096 1.00 0.55 H new ATOM 0 HE2 PHE A 21 13.617 12.749 -9.279 1.00 0.44 H new ATOM 0 HZ PHE A 21 14.470 14.085 -7.364 1.00 0.51 H new ATOM 343 N ILE A 22 9.871 7.061 -6.045 1.00 0.30 N ATOM 344 CA ILE A 22 8.677 6.163 -6.017 1.00 0.24 C ATOM 345 C ILE A 22 8.798 5.145 -4.879 1.00 0.24 C ATOM 346 O ILE A 22 9.798 4.467 -4.751 1.00 0.28 O ATOM 347 CB ILE A 22 8.571 5.406 -7.366 1.00 0.29 C ATOM 348 CG1 ILE A 22 8.263 6.382 -8.545 1.00 0.41 C ATOM 349 CG2 ILE A 22 7.457 4.355 -7.262 1.00 0.26 C ATOM 350 CD1 ILE A 22 8.037 7.899 -8.537 1.00 1.12 C ATOM 0 H ILE A 22 10.698 6.657 -6.485 1.00 0.30 H new ATOM 0 HA ILE A 22 7.786 6.770 -5.857 1.00 0.24 H new ATOM 0 HB ILE A 22 9.528 4.926 -7.570 1.00 0.29 H new ATOM 0 HG12 ILE A 22 9.083 6.231 -9.247 1.00 0.41 H new ATOM 0 HG13 ILE A 22 7.366 5.974 -9.011 1.00 0.41 H new ATOM 0 HG21 ILE A 22 7.375 3.817 -8.207 1.00 0.26 H new ATOM 0 HG22 ILE A 22 7.694 3.652 -6.463 1.00 0.26 H new ATOM 0 HG23 ILE A 22 6.510 4.849 -7.042 1.00 0.26 H new ATOM 0 HD11 ILE A 22 7.846 8.244 -9.553 1.00 1.12 H new ATOM 0 HD12 ILE A 22 7.180 8.136 -7.906 1.00 1.12 H new ATOM 0 HD13 ILE A 22 8.924 8.397 -8.146 1.00 1.12 H new ATOM 362 N LYS A 23 7.761 5.071 -4.082 1.00 0.23 N ATOM 363 CA LYS A 23 7.750 4.109 -2.951 1.00 0.26 C ATOM 364 C LYS A 23 6.574 3.147 -3.109 1.00 0.22 C ATOM 365 O LYS A 23 6.610 2.037 -2.615 1.00 0.24 O ATOM 366 CB LYS A 23 7.601 4.873 -1.637 1.00 0.32 C ATOM 367 CG LYS A 23 8.963 5.433 -1.218 1.00 0.35 C ATOM 368 CD LYS A 23 9.693 4.407 -0.346 1.00 0.80 C ATOM 369 CE LYS A 23 11.021 5.005 0.122 1.00 0.96 C ATOM 370 NZ LYS A 23 12.117 4.003 0.005 1.00 1.58 N ATOM 0 H LYS A 23 6.920 5.641 -4.171 1.00 0.23 H new ATOM 0 HA LYS A 23 8.684 3.546 -2.946 1.00 0.26 H new ATOM 0 HB2 LYS A 23 6.882 5.684 -1.754 1.00 0.32 H new ATOM 0 HB3 LYS A 23 7.213 4.213 -0.862 1.00 0.32 H new ATOM 0 HG2 LYS A 23 9.559 5.665 -2.100 1.00 0.35 H new ATOM 0 HG3 LYS A 23 8.831 6.365 -0.668 1.00 0.35 H new ATOM 0 HD2 LYS A 23 9.078 4.138 0.513 1.00 0.80 H new ATOM 0 HD3 LYS A 23 9.871 3.492 -0.911 1.00 0.80 H new ATOM 0 HE2 LYS A 23 11.260 5.885 -0.475 1.00 0.96 H new ATOM 0 HE3 LYS A 23 10.932 5.336 1.157 1.00 0.96 H new ATOM 0 HZ1 LYS A 23 13.011 4.427 0.327 1.00 1.58 H new ATOM 0 HZ2 LYS A 23 11.895 3.175 0.593 1.00 1.58 H new ATOM 0 HZ3 LYS A 23 12.212 3.707 -0.987 1.00 1.58 H new ATOM 384 N GLU A 24 5.551 3.599 -3.793 1.00 0.19 N ATOM 385 CA GLU A 24 4.353 2.719 -3.993 1.00 0.18 C ATOM 386 C GLU A 24 3.864 2.798 -5.445 1.00 0.18 C ATOM 387 O GLU A 24 3.744 3.870 -6.004 1.00 0.24 O ATOM 388 CB GLU A 24 3.236 3.178 -3.057 1.00 0.22 C ATOM 389 CG GLU A 24 1.907 2.589 -3.538 1.00 0.24 C ATOM 390 CD GLU A 24 0.906 2.586 -2.379 1.00 0.57 C ATOM 391 OE1 GLU A 24 0.778 3.637 -1.773 1.00 1.47 O ATOM 392 OE2 GLU A 24 0.325 1.536 -2.167 1.00 1.27 O ATOM 0 H GLU A 24 5.491 4.525 -4.217 1.00 0.19 H new ATOM 0 HA GLU A 24 4.629 1.688 -3.773 1.00 0.18 H new ATOM 0 HB2 GLU A 24 3.443 2.855 -2.037 1.00 0.22 H new ATOM 0 HB3 GLU A 24 3.181 4.267 -3.042 1.00 0.22 H new ATOM 0 HG2 GLU A 24 1.516 3.175 -4.370 1.00 0.24 H new ATOM 0 HG3 GLU A 24 2.058 1.574 -3.906 1.00 0.24 H new ATOM 399 N LEU A 25 3.591 1.651 -6.019 1.00 0.18 N ATOM 400 CA LEU A 25 3.103 1.619 -7.432 1.00 0.19 C ATOM 401 C LEU A 25 1.624 1.222 -7.469 1.00 0.19 C ATOM 402 O LEU A 25 1.157 0.480 -6.627 1.00 0.22 O ATOM 403 CB LEU A 25 3.920 0.596 -8.219 1.00 0.24 C ATOM 404 CG LEU A 25 3.763 0.866 -9.716 1.00 0.27 C ATOM 405 CD1 LEU A 25 4.884 1.798 -10.180 1.00 0.36 C ATOM 406 CD2 LEU A 25 3.859 -0.456 -10.478 1.00 0.39 C ATOM 0 H LEU A 25 3.685 0.739 -5.571 1.00 0.18 H new ATOM 0 HA LEU A 25 3.217 2.609 -7.874 1.00 0.19 H new ATOM 0 HB2 LEU A 25 4.971 0.657 -7.935 1.00 0.24 H new ATOM 0 HB3 LEU A 25 3.584 -0.414 -7.983 1.00 0.24 H new ATOM 0 HG LEU A 25 2.796 1.331 -9.907 1.00 0.27 H new ATOM 0 HD11 LEU A 25 4.776 1.994 -11.247 1.00 0.36 H new ATOM 0 HD12 LEU A 25 4.826 2.738 -9.631 1.00 0.36 H new ATOM 0 HD13 LEU A 25 5.849 1.327 -9.993 1.00 0.36 H new ATOM 0 HD21 LEU A 25 3.748 -0.269 -11.546 1.00 0.39 H new ATOM 0 HD22 LEU A 25 4.829 -0.915 -10.289 1.00 0.39 H new ATOM 0 HD23 LEU A 25 3.068 -1.127 -10.143 1.00 0.39 H new ATOM 418 N ARG A 26 0.917 1.725 -8.444 1.00 0.19 N ATOM 419 CA ARG A 26 -0.535 1.386 -8.550 1.00 0.22 C ATOM 420 C ARG A 26 -0.945 1.259 -10.020 1.00 0.23 C ATOM 421 O ARG A 26 -0.770 2.180 -10.793 1.00 0.38 O ATOM 422 CB ARG A 26 -1.350 2.487 -7.888 1.00 0.28 C ATOM 423 CG ARG A 26 -1.672 2.086 -6.447 1.00 0.43 C ATOM 424 CD ARG A 26 -2.021 3.339 -5.639 1.00 0.51 C ATOM 425 NE ARG A 26 -3.244 3.965 -6.218 1.00 1.21 N ATOM 426 CZ ARG A 26 -4.072 4.595 -5.431 1.00 1.38 C ATOM 427 NH1 ARG A 26 -3.592 5.414 -4.537 1.00 1.95 N ATOM 428 NH2 ARG A 26 -5.353 4.386 -5.568 1.00 1.61 N ATOM 0 H ARG A 26 1.275 2.350 -9.166 1.00 0.19 H new ATOM 0 HA ARG A 26 -0.719 0.434 -8.052 1.00 0.22 H new ATOM 0 HB2 ARG A 26 -0.793 3.424 -7.900 1.00 0.28 H new ATOM 0 HB3 ARG A 26 -2.272 2.657 -8.444 1.00 0.28 H new ATOM 0 HG2 ARG A 26 -2.506 1.385 -6.430 1.00 0.43 H new ATOM 0 HG3 ARG A 26 -0.818 1.577 -6.000 1.00 0.43 H new ATOM 0 HD2 ARG A 26 -2.190 3.078 -4.594 1.00 0.51 H new ATOM 0 HD3 ARG A 26 -1.190 4.045 -5.661 1.00 0.51 H new ATOM 0 HE ARG A 26 -3.431 3.901 -7.219 1.00 1.21 H new ATOM 0 HH11 ARG A 26 -2.584 5.553 -4.462 1.00 1.95 H new ATOM 0 HH12 ARG A 26 -4.224 5.915 -3.913 1.00 1.95 H new ATOM 0 HH21 ARG A 26 -5.691 3.739 -6.281 1.00 1.61 H new ATOM 0 HH22 ARG A 26 -6.016 4.869 -4.962 1.00 1.61 H new ATOM 442 N VAL A 27 -1.480 0.114 -10.370 1.00 0.23 N ATOM 443 CA VAL A 27 -1.916 -0.106 -11.786 1.00 0.23 C ATOM 444 C VAL A 27 -3.402 -0.476 -11.826 1.00 0.25 C ATOM 445 O VAL A 27 -3.820 -1.435 -11.209 1.00 0.36 O ATOM 446 CB VAL A 27 -1.095 -1.241 -12.394 1.00 0.25 C ATOM 447 CG1 VAL A 27 -1.397 -1.336 -13.890 1.00 0.30 C ATOM 448 CG2 VAL A 27 0.393 -0.946 -12.198 1.00 0.27 C ATOM 0 H VAL A 27 -1.633 -0.674 -9.741 1.00 0.23 H new ATOM 0 HA VAL A 27 -1.761 0.810 -12.356 1.00 0.23 H new ATOM 0 HB VAL A 27 -1.351 -2.182 -11.907 1.00 0.25 H new ATOM 0 HG11 VAL A 27 -0.813 -2.145 -14.328 1.00 0.30 H new ATOM 0 HG12 VAL A 27 -2.459 -1.535 -14.035 1.00 0.30 H new ATOM 0 HG13 VAL A 27 -1.135 -0.395 -14.375 1.00 0.30 H new ATOM 0 HG21 VAL A 27 0.984 -1.753 -12.630 1.00 0.27 H new ATOM 0 HG22 VAL A 27 0.646 -0.007 -12.691 1.00 0.27 H new ATOM 0 HG23 VAL A 27 0.611 -0.867 -11.133 1.00 0.27 H new ATOM 458 N ILE A 28 -4.165 0.299 -12.558 1.00 0.19 N ATOM 459 CA ILE A 28 -5.634 0.022 -12.659 1.00 0.19 C ATOM 460 C ILE A 28 -6.013 -0.307 -14.108 1.00 0.21 C ATOM 461 O ILE A 28 -5.847 0.505 -14.997 1.00 0.25 O ATOM 462 CB ILE A 28 -6.402 1.263 -12.194 1.00 0.22 C ATOM 463 CG1 ILE A 28 -6.197 1.430 -10.679 1.00 0.28 C ATOM 464 CG2 ILE A 28 -7.894 1.083 -12.492 1.00 0.21 C ATOM 465 CD1 ILE A 28 -6.763 2.782 -10.224 1.00 0.44 C ATOM 0 H ILE A 28 -3.838 1.107 -13.087 1.00 0.19 H new ATOM 0 HA ILE A 28 -5.888 -0.832 -12.031 1.00 0.19 H new ATOM 0 HB ILE A 28 -6.037 2.146 -12.719 1.00 0.22 H new ATOM 0 HG12 ILE A 28 -6.692 0.620 -10.144 1.00 0.28 H new ATOM 0 HG13 ILE A 28 -5.136 1.370 -10.437 1.00 0.28 H new ATOM 0 HG21 ILE A 28 -8.440 1.966 -12.161 1.00 0.21 H new ATOM 0 HG22 ILE A 28 -8.037 0.948 -13.564 1.00 0.21 H new ATOM 0 HG23 ILE A 28 -8.267 0.206 -11.963 1.00 0.21 H new ATOM 0 HD11 ILE A 28 -6.615 2.895 -9.150 1.00 0.44 H new ATOM 0 HD12 ILE A 28 -6.248 3.587 -10.748 1.00 0.44 H new ATOM 0 HD13 ILE A 28 -7.828 2.825 -10.450 1.00 0.44 H new ATOM 477 N GLU A 29 -6.513 -1.495 -14.309 1.00 0.23 N ATOM 478 CA GLU A 29 -6.908 -1.906 -15.689 1.00 0.27 C ATOM 479 C GLU A 29 -8.260 -1.284 -16.063 1.00 0.27 C ATOM 480 O GLU A 29 -8.974 -0.795 -15.211 1.00 0.27 O ATOM 481 CB GLU A 29 -7.016 -3.433 -15.735 1.00 0.30 C ATOM 482 CG GLU A 29 -7.575 -3.863 -17.094 1.00 0.40 C ATOM 483 CD GLU A 29 -7.288 -5.350 -17.313 1.00 0.83 C ATOM 484 OE1 GLU A 29 -6.809 -5.954 -16.368 1.00 1.53 O ATOM 485 OE2 GLU A 29 -7.563 -5.796 -18.415 1.00 1.55 O ATOM 0 H GLU A 29 -6.665 -2.196 -13.584 1.00 0.23 H new ATOM 0 HA GLU A 29 -6.157 -1.560 -16.400 1.00 0.27 H new ATOM 0 HB2 GLU A 29 -6.036 -3.883 -15.574 1.00 0.30 H new ATOM 0 HB3 GLU A 29 -7.665 -3.787 -14.934 1.00 0.30 H new ATOM 0 HG2 GLU A 29 -8.649 -3.679 -17.133 1.00 0.40 H new ATOM 0 HG3 GLU A 29 -7.121 -3.272 -17.890 1.00 0.40 H new ATOM 492 N SER A 30 -8.572 -1.312 -17.333 1.00 0.32 N ATOM 493 CA SER A 30 -9.873 -0.735 -17.795 1.00 0.34 C ATOM 494 C SER A 30 -10.995 -1.098 -16.816 1.00 0.35 C ATOM 495 O SER A 30 -11.230 -2.259 -16.545 1.00 0.39 O ATOM 496 CB SER A 30 -10.206 -1.301 -19.174 1.00 0.40 C ATOM 497 OG SER A 30 -9.928 -2.689 -19.056 1.00 0.45 O ATOM 0 H SER A 30 -7.986 -1.707 -18.068 1.00 0.32 H new ATOM 0 HA SER A 30 -9.785 0.350 -17.844 1.00 0.34 H new ATOM 0 HB2 SER A 30 -11.249 -1.124 -19.436 1.00 0.40 H new ATOM 0 HB3 SER A 30 -9.599 -0.838 -19.952 1.00 0.40 H new ATOM 0 HG SER A 30 -10.328 -3.034 -18.231 1.00 0.45 H new ATOM 503 N GLY A 31 -11.661 -0.090 -16.310 1.00 0.35 N ATOM 504 CA GLY A 31 -12.776 -0.338 -15.345 1.00 0.38 C ATOM 505 C GLY A 31 -14.074 0.291 -15.870 1.00 0.42 C ATOM 506 O GLY A 31 -14.130 0.770 -16.985 1.00 0.42 O ATOM 0 H GLY A 31 -11.482 0.891 -16.523 1.00 0.35 H new ATOM 0 HA2 GLY A 31 -12.913 -1.410 -15.203 1.00 0.38 H new ATOM 0 HA3 GLY A 31 -12.526 0.083 -14.371 1.00 0.38 H new ATOM 510 N PRO A 32 -15.099 0.271 -15.044 1.00 0.46 N ATOM 511 CA PRO A 32 -16.403 0.836 -15.417 1.00 0.51 C ATOM 512 C PRO A 32 -16.282 2.349 -15.615 1.00 0.49 C ATOM 513 O PRO A 32 -17.243 3.019 -15.938 1.00 0.53 O ATOM 514 CB PRO A 32 -17.331 0.518 -14.237 1.00 0.55 C ATOM 515 CG PRO A 32 -16.480 -0.234 -13.166 1.00 0.54 C ATOM 516 CD PRO A 32 -15.035 -0.306 -13.694 1.00 0.47 C ATOM 0 HA PRO A 32 -16.781 0.421 -16.351 1.00 0.51 H new ATOM 0 HB2 PRO A 32 -17.751 1.434 -13.821 1.00 0.55 H new ATOM 0 HB3 PRO A 32 -18.170 -0.097 -14.563 1.00 0.55 H new ATOM 0 HG2 PRO A 32 -16.514 0.291 -12.211 1.00 0.54 H new ATOM 0 HG3 PRO A 32 -16.876 -1.235 -12.994 1.00 0.54 H new ATOM 0 HD2 PRO A 32 -14.352 0.255 -13.056 1.00 0.47 H new ATOM 0 HD3 PRO A 32 -14.674 -1.334 -13.720 1.00 0.47 H new ATOM 524 N HIS A 33 -15.091 2.841 -15.413 1.00 0.45 N ATOM 525 CA HIS A 33 -14.842 4.306 -15.572 1.00 0.46 C ATOM 526 C HIS A 33 -13.784 4.535 -16.654 1.00 0.44 C ATOM 527 O HIS A 33 -13.682 5.611 -17.210 1.00 0.51 O ATOM 528 CB HIS A 33 -14.330 4.852 -14.248 1.00 0.44 C ATOM 529 CG HIS A 33 -12.924 4.301 -14.001 1.00 0.36 C ATOM 530 ND1 HIS A 33 -12.596 3.050 -14.070 1.00 0.33 N ATOM 531 CD2 HIS A 33 -11.746 4.975 -13.689 1.00 0.34 C ATOM 532 CE1 HIS A 33 -11.347 2.894 -13.834 1.00 0.29 C ATOM 533 NE2 HIS A 33 -10.803 4.052 -13.600 1.00 0.28 N ATOM 0 H HIS A 33 -14.275 2.291 -15.144 1.00 0.45 H new ATOM 0 HA HIS A 33 -15.764 4.811 -15.861 1.00 0.46 H new ATOM 0 HB2 HIS A 33 -14.310 5.942 -14.271 1.00 0.44 H new ATOM 0 HB3 HIS A 33 -14.997 4.562 -13.436 1.00 0.44 H new ATOM 0 HD2 HIS A 33 -11.626 6.039 -13.548 1.00 0.34 H new ATOM 0 HE1 HIS A 33 -10.826 1.948 -13.830 1.00 0.29 H new ATOM 0 HE2 HIS A 33 -9.820 4.219 -13.385 1.00 0.28 H new ATOM 541 N CYS A 34 -13.018 3.511 -16.922 1.00 0.38 N ATOM 542 CA CYS A 34 -11.951 3.636 -17.958 1.00 0.38 C ATOM 543 C CYS A 34 -11.930 2.387 -18.848 1.00 0.39 C ATOM 544 O CYS A 34 -11.936 1.274 -18.360 1.00 0.39 O ATOM 545 CB CYS A 34 -10.601 3.790 -17.260 1.00 0.35 C ATOM 546 SG CYS A 34 -9.327 4.736 -18.124 1.00 0.45 S ATOM 0 H CYS A 34 -13.084 2.598 -16.471 1.00 0.38 H new ATOM 0 HA CYS A 34 -12.150 4.507 -18.582 1.00 0.38 H new ATOM 0 HB2 CYS A 34 -10.773 4.261 -16.292 1.00 0.35 H new ATOM 0 HB3 CYS A 34 -10.207 2.793 -17.064 1.00 0.35 H new ATOM 551 N ALA A 35 -11.905 2.603 -20.136 1.00 0.43 N ATOM 552 CA ALA A 35 -11.888 1.445 -21.076 1.00 0.47 C ATOM 553 C ALA A 35 -10.454 1.153 -21.534 1.00 0.46 C ATOM 554 O ALA A 35 -10.241 0.581 -22.585 1.00 0.52 O ATOM 555 CB ALA A 35 -12.753 1.777 -22.290 1.00 0.53 C ATOM 0 H ALA A 35 -11.896 3.524 -20.575 1.00 0.43 H new ATOM 0 HA ALA A 35 -12.280 0.564 -20.568 1.00 0.47 H new ATOM 0 HB1 ALA A 35 -12.746 0.935 -22.983 1.00 0.53 H new ATOM 0 HB2 ALA A 35 -13.775 1.972 -21.966 1.00 0.53 H new ATOM 0 HB3 ALA A 35 -12.356 2.661 -22.789 1.00 0.53 H new ATOM 561 N ASN A 36 -9.503 1.550 -20.731 1.00 0.42 N ATOM 562 CA ASN A 36 -8.075 1.312 -21.105 1.00 0.43 C ATOM 563 C ASN A 36 -7.261 0.902 -19.878 1.00 0.39 C ATOM 564 O ASN A 36 -7.762 0.282 -18.970 1.00 0.44 O ATOM 565 CB ASN A 36 -7.494 2.597 -21.696 1.00 0.46 C ATOM 566 CG ASN A 36 -8.408 3.099 -22.816 1.00 0.58 C ATOM 567 OD1 ASN A 36 -8.977 2.327 -23.560 1.00 1.19 O ATOM 568 ND2 ASN A 36 -8.575 4.384 -22.968 1.00 1.16 N ATOM 0 H ASN A 36 -9.649 2.025 -19.840 1.00 0.42 H new ATOM 0 HA ASN A 36 -8.028 0.507 -21.838 1.00 0.43 H new ATOM 0 HB2 ASN A 36 -7.400 3.357 -20.920 1.00 0.46 H new ATOM 0 HB3 ASN A 36 -6.493 2.412 -22.084 1.00 0.46 H new ATOM 0 HD21 ASN A 36 -9.181 4.735 -23.709 1.00 1.16 H new ATOM 0 HD22 ASN A 36 -8.099 5.037 -22.346 1.00 1.16 H new ATOM 575 N THR A 37 -6.014 1.254 -19.897 1.00 0.39 N ATOM 576 CA THR A 37 -5.120 0.914 -18.747 1.00 0.36 C ATOM 577 C THR A 37 -4.357 2.162 -18.294 1.00 0.34 C ATOM 578 O THR A 37 -3.922 2.954 -19.106 1.00 0.40 O ATOM 579 CB THR A 37 -4.136 -0.171 -19.188 1.00 0.43 C ATOM 580 OG1 THR A 37 -4.641 -1.370 -18.611 1.00 0.46 O ATOM 581 CG2 THR A 37 -2.748 0.016 -18.574 1.00 0.45 C ATOM 0 H THR A 37 -5.566 1.764 -20.658 1.00 0.39 H new ATOM 0 HA THR A 37 -5.717 0.548 -17.911 1.00 0.36 H new ATOM 0 HB THR A 37 -4.046 -0.160 -20.274 1.00 0.43 H new ATOM 0 HG1 THR A 37 -4.642 -2.082 -19.284 1.00 0.46 H new ATOM 0 HG21 THR A 37 -2.088 -0.780 -18.919 1.00 0.45 H new ATOM 0 HG22 THR A 37 -2.343 0.981 -18.878 1.00 0.45 H new ATOM 0 HG23 THR A 37 -2.823 -0.020 -17.487 1.00 0.45 H new ATOM 589 N GLU A 38 -4.212 2.309 -17.002 1.00 0.31 N ATOM 590 CA GLU A 38 -3.482 3.501 -16.469 1.00 0.34 C ATOM 591 C GLU A 38 -2.545 3.082 -15.332 1.00 0.29 C ATOM 592 O GLU A 38 -2.949 2.402 -14.410 1.00 0.32 O ATOM 593 CB GLU A 38 -4.498 4.514 -15.945 1.00 0.42 C ATOM 594 CG GLU A 38 -5.735 4.492 -16.846 1.00 1.06 C ATOM 595 CD GLU A 38 -6.596 5.723 -16.553 1.00 1.86 C ATOM 596 OE1 GLU A 38 -6.989 5.849 -15.405 1.00 2.43 O ATOM 597 OE2 GLU A 38 -6.812 6.467 -17.495 1.00 2.55 O ATOM 0 H GLU A 38 -4.564 1.661 -16.297 1.00 0.31 H new ATOM 0 HA GLU A 38 -2.889 3.947 -17.267 1.00 0.34 H new ATOM 0 HB2 GLU A 38 -4.775 4.272 -14.919 1.00 0.42 H new ATOM 0 HB3 GLU A 38 -4.061 5.512 -15.930 1.00 0.42 H new ATOM 0 HG2 GLU A 38 -5.436 4.484 -17.894 1.00 1.06 H new ATOM 0 HG3 GLU A 38 -6.310 3.582 -16.672 1.00 1.06 H new ATOM 604 N ILE A 39 -1.288 3.536 -15.446 1.00 0.27 N ATOM 605 CA ILE A 39 -0.257 3.423 -14.429 1.00 0.24 C ATOM 606 C ILE A 39 -0.332 4.670 -13.548 1.00 0.23 C ATOM 607 O ILE A 39 -0.426 5.794 -14.039 1.00 0.26 O ATOM 608 CB ILE A 39 1.133 3.264 -15.079 1.00 0.28 C ATOM 609 CG1 ILE A 39 1.204 1.916 -15.822 1.00 0.41 C ATOM 610 CG2 ILE A 39 2.246 3.341 -14.019 1.00 0.32 C ATOM 611 CD1 ILE A 39 2.475 1.765 -16.665 1.00 0.62 C ATOM 0 H ILE A 39 -0.959 4.010 -16.287 1.00 0.27 H new ATOM 0 HA ILE A 39 -0.417 2.535 -13.817 1.00 0.24 H new ATOM 0 HB ILE A 39 1.282 4.079 -15.788 1.00 0.28 H new ATOM 0 HG12 ILE A 39 1.157 1.104 -15.096 1.00 0.41 H new ATOM 0 HG13 ILE A 39 0.332 1.817 -16.468 1.00 0.41 H new ATOM 0 HG21 ILE A 39 3.217 3.226 -14.502 1.00 0.32 H new ATOM 0 HG22 ILE A 39 2.203 4.307 -13.516 1.00 0.32 H new ATOM 0 HG23 ILE A 39 2.108 2.544 -13.288 1.00 0.32 H new ATOM 0 HD11 ILE A 39 2.468 0.796 -17.164 1.00 0.62 H new ATOM 0 HD12 ILE A 39 2.512 2.558 -17.412 1.00 0.62 H new ATOM 0 HD13 ILE A 39 3.350 1.834 -16.019 1.00 0.62 H new ATOM 623 N ILE A 40 -0.286 4.437 -12.237 1.00 0.20 N ATOM 624 CA ILE A 40 -0.369 5.410 -11.163 1.00 0.21 C ATOM 625 C ILE A 40 0.801 5.132 -10.223 1.00 0.21 C ATOM 626 O ILE A 40 1.304 4.009 -10.165 1.00 0.26 O ATOM 627 CB ILE A 40 -1.734 5.298 -10.449 1.00 0.23 C ATOM 628 CG1 ILE A 40 -2.863 5.294 -11.496 1.00 0.36 C ATOM 629 CG2 ILE A 40 -1.899 6.418 -9.412 1.00 0.42 C ATOM 630 CD1 ILE A 40 -4.265 5.544 -10.937 1.00 0.76 C ATOM 0 H ILE A 40 -0.182 3.488 -11.877 1.00 0.20 H new ATOM 0 HA ILE A 40 -0.303 6.432 -11.537 1.00 0.21 H new ATOM 0 HB ILE A 40 -1.785 4.358 -9.900 1.00 0.23 H new ATOM 0 HG12 ILE A 40 -2.646 6.055 -12.245 1.00 0.36 H new ATOM 0 HG13 ILE A 40 -2.859 4.332 -12.009 1.00 0.36 H new ATOM 0 HG21 ILE A 40 -2.867 6.320 -8.921 1.00 0.42 H new ATOM 0 HG22 ILE A 40 -1.106 6.345 -8.668 1.00 0.42 H new ATOM 0 HG23 ILE A 40 -1.841 7.386 -9.910 1.00 0.42 H new ATOM 0 HD11 ILE A 40 -4.990 5.522 -11.750 1.00 0.76 H new ATOM 0 HD12 ILE A 40 -4.511 4.769 -10.211 1.00 0.76 H new ATOM 0 HD13 ILE A 40 -4.294 6.519 -10.451 1.00 0.76 H new ATOM 642 N VAL A 41 1.247 6.153 -9.491 1.00 0.21 N ATOM 643 CA VAL A 41 2.378 6.032 -8.597 1.00 0.20 C ATOM 644 C VAL A 41 2.269 7.060 -7.473 1.00 0.19 C ATOM 645 O VAL A 41 1.821 8.184 -7.698 1.00 0.23 O ATOM 646 CB VAL A 41 3.670 6.158 -9.421 1.00 0.23 C ATOM 647 CG1 VAL A 41 3.968 7.583 -9.902 1.00 0.37 C ATOM 648 CG2 VAL A 41 4.862 5.645 -8.629 1.00 0.36 C ATOM 0 H VAL A 41 0.829 7.083 -9.507 1.00 0.21 H new ATOM 0 HA VAL A 41 2.393 5.056 -8.111 1.00 0.20 H new ATOM 0 HB VAL A 41 3.505 5.548 -10.309 1.00 0.23 H new ATOM 0 HG11 VAL A 41 4.895 7.587 -10.475 1.00 0.37 H new ATOM 0 HG12 VAL A 41 3.150 7.933 -10.532 1.00 0.37 H new ATOM 0 HG13 VAL A 41 4.071 8.244 -9.041 1.00 0.37 H new ATOM 0 HG21 VAL A 41 5.767 5.743 -9.229 1.00 0.36 H new ATOM 0 HG22 VAL A 41 4.969 6.228 -7.714 1.00 0.36 H new ATOM 0 HG23 VAL A 41 4.706 4.596 -8.375 1.00 0.36 H new ATOM 658 N LYS A 42 2.680 6.667 -6.262 1.00 0.20 N ATOM 659 CA LYS A 42 2.740 7.548 -5.111 1.00 0.21 C ATOM 660 C LYS A 42 4.016 8.378 -5.201 1.00 0.20 C ATOM 661 O LYS A 42 5.105 7.829 -5.374 1.00 0.20 O ATOM 662 CB LYS A 42 2.728 6.706 -3.834 1.00 0.25 C ATOM 663 CG LYS A 42 2.532 7.503 -2.536 1.00 0.42 C ATOM 664 CD LYS A 42 1.164 8.186 -2.368 1.00 0.69 C ATOM 665 CE LYS A 42 0.016 7.265 -1.926 1.00 1.02 C ATOM 666 NZ LYS A 42 -0.449 6.354 -2.986 1.00 1.67 N ATOM 0 H LYS A 42 2.982 5.714 -6.061 1.00 0.20 H new ATOM 0 HA LYS A 42 1.880 8.218 -5.092 1.00 0.21 H new ATOM 0 HB2 LYS A 42 1.932 5.965 -3.912 1.00 0.25 H new ATOM 0 HB3 LYS A 42 3.668 6.158 -3.768 1.00 0.25 H new ATOM 0 HG2 LYS A 42 2.687 6.830 -1.692 1.00 0.42 H new ATOM 0 HG3 LYS A 42 3.307 8.267 -2.481 1.00 0.42 H new ATOM 0 HD2 LYS A 42 1.265 8.988 -1.637 1.00 0.69 H new ATOM 0 HD3 LYS A 42 0.890 8.650 -3.315 1.00 0.69 H new ATOM 0 HE2 LYS A 42 0.343 6.676 -1.069 1.00 1.02 H new ATOM 0 HE3 LYS A 42 -0.821 7.877 -1.591 1.00 1.02 H new ATOM 0 HZ1 LYS A 42 -1.489 6.335 -2.996 1.00 1.67 H new ATOM 0 HZ2 LYS A 42 -0.100 6.687 -3.907 1.00 1.67 H new ATOM 0 HZ3 LYS A 42 -0.087 5.396 -2.804 1.00 1.67 H new ATOM 680 N LEU A 43 3.870 9.698 -5.081 1.00 0.22 N ATOM 681 CA LEU A 43 4.966 10.644 -5.150 1.00 0.24 C ATOM 682 C LEU A 43 5.443 10.932 -3.725 1.00 0.27 C ATOM 683 O LEU A 43 4.639 11.300 -2.870 1.00 0.33 O ATOM 684 CB LEU A 43 4.453 11.889 -5.883 1.00 0.29 C ATOM 685 CG LEU A 43 5.405 13.083 -5.851 1.00 0.35 C ATOM 686 CD1 LEU A 43 6.791 12.742 -6.398 1.00 0.42 C ATOM 687 CD2 LEU A 43 4.801 14.243 -6.650 1.00 0.51 C ATOM 0 H LEU A 43 2.964 10.141 -4.930 1.00 0.22 H new ATOM 0 HA LEU A 43 5.824 10.261 -5.702 1.00 0.24 H new ATOM 0 HB2 LEU A 43 4.255 11.627 -6.922 1.00 0.29 H new ATOM 0 HB3 LEU A 43 3.502 12.188 -5.443 1.00 0.29 H new ATOM 0 HG LEU A 43 5.533 13.370 -4.807 1.00 0.35 H new ATOM 0 HD11 LEU A 43 7.428 13.626 -6.352 1.00 0.42 H new ATOM 0 HD12 LEU A 43 7.233 11.945 -5.799 1.00 0.42 H new ATOM 0 HD13 LEU A 43 6.703 12.412 -7.433 1.00 0.42 H new ATOM 0 HD21 LEU A 43 5.481 15.094 -6.626 1.00 0.51 H new ATOM 0 HD22 LEU A 43 4.646 13.931 -7.683 1.00 0.51 H new ATOM 0 HD23 LEU A 43 3.846 14.530 -6.210 1.00 0.51 H new ATOM 699 N SER A 44 6.750 10.764 -3.472 1.00 0.29 N ATOM 700 CA SER A 44 7.353 10.959 -2.156 1.00 0.35 C ATOM 701 C SER A 44 7.237 12.406 -1.658 1.00 0.38 C ATOM 702 O SER A 44 7.363 12.644 -0.459 1.00 0.46 O ATOM 703 CB SER A 44 8.808 10.478 -2.166 1.00 0.38 C ATOM 704 OG SER A 44 9.498 10.986 -3.286 1.00 0.55 O ATOM 0 H SER A 44 7.421 10.486 -4.188 1.00 0.29 H new ATOM 0 HA SER A 44 6.790 10.354 -1.445 1.00 0.35 H new ATOM 0 HB2 SER A 44 9.307 10.797 -1.251 1.00 0.38 H new ATOM 0 HB3 SER A 44 8.835 9.388 -2.181 1.00 0.38 H new ATOM 0 HG SER A 44 9.367 10.387 -4.050 1.00 0.55 H new ATOM 710 N ASP A 45 6.986 13.364 -2.561 1.00 0.38 N ATOM 711 CA ASP A 45 6.679 14.747 -2.212 1.00 0.48 C ATOM 712 C ASP A 45 5.456 14.814 -1.288 1.00 0.50 C ATOM 713 O ASP A 45 5.396 15.677 -0.414 1.00 0.59 O ATOM 714 CB ASP A 45 6.464 15.569 -3.492 1.00 0.52 C ATOM 715 CG ASP A 45 6.644 17.068 -3.268 1.00 0.48 C ATOM 716 OD1 ASP A 45 5.714 17.680 -2.699 1.00 1.19 O ATOM 717 OD2 ASP A 45 7.711 17.576 -3.676 1.00 1.17 O ATOM 0 H ASP A 45 6.992 13.192 -3.566 1.00 0.38 H new ATOM 0 HA ASP A 45 7.521 15.175 -1.667 1.00 0.48 H new ATOM 0 HB2 ASP A 45 7.165 15.233 -4.256 1.00 0.52 H new ATOM 0 HB3 ASP A 45 5.461 15.381 -3.875 1.00 0.52 H new ATOM 722 N GLY A 46 4.492 13.900 -1.479 1.00 0.44 N ATOM 723 CA GLY A 46 3.302 13.778 -0.650 1.00 0.51 C ATOM 724 C GLY A 46 2.091 13.316 -1.461 1.00 0.48 C ATOM 725 O GLY A 46 1.251 12.574 -0.955 1.00 0.56 O ATOM 0 H GLY A 46 4.527 13.214 -2.233 1.00 0.44 H new ATOM 0 HA2 GLY A 46 3.492 13.069 0.156 1.00 0.51 H new ATOM 0 HA3 GLY A 46 3.083 14.739 -0.185 1.00 0.51 H new ATOM 729 N ARG A 47 2.005 13.767 -2.717 1.00 0.39 N ATOM 730 CA ARG A 47 0.851 13.584 -3.586 1.00 0.38 C ATOM 731 C ARG A 47 0.889 12.227 -4.303 1.00 0.33 C ATOM 732 O ARG A 47 1.606 11.311 -3.899 1.00 0.43 O ATOM 733 CB ARG A 47 0.825 14.738 -4.606 1.00 0.40 C ATOM 734 CG ARG A 47 1.063 16.119 -3.979 1.00 0.58 C ATOM 735 CD ARG A 47 0.890 17.220 -5.023 1.00 1.03 C ATOM 736 NE ARG A 47 1.831 17.046 -6.138 1.00 1.28 N ATOM 737 CZ ARG A 47 3.056 17.591 -6.233 1.00 1.84 C ATOM 738 NH1 ARG A 47 3.574 18.320 -5.235 1.00 2.38 N ATOM 739 NH2 ARG A 47 3.775 17.399 -7.346 1.00 2.50 N ATOM 0 H ARG A 47 2.762 14.284 -3.165 1.00 0.39 H new ATOM 0 HA ARG A 47 -0.057 13.594 -2.982 1.00 0.38 H new ATOM 0 HB2 ARG A 47 1.586 14.557 -5.366 1.00 0.40 H new ATOM 0 HB3 ARG A 47 -0.139 14.741 -5.114 1.00 0.40 H new ATOM 0 HG2 ARG A 47 0.364 16.277 -3.157 1.00 0.58 H new ATOM 0 HG3 ARG A 47 2.067 16.165 -3.557 1.00 0.58 H new ATOM 0 HD2 ARG A 47 -0.132 17.209 -5.401 1.00 1.03 H new ATOM 0 HD3 ARG A 47 1.048 18.193 -4.559 1.00 1.03 H new ATOM 0 HE ARG A 47 1.526 16.456 -6.912 1.00 1.28 H new ATOM 0 HH11 ARG A 47 3.036 18.471 -4.381 1.00 2.38 H new ATOM 0 HH12 ARG A 47 4.506 18.724 -5.329 1.00 2.38 H new ATOM 0 HH21 ARG A 47 3.392 16.844 -8.111 1.00 2.50 H new ATOM 0 HH22 ARG A 47 4.706 17.808 -7.429 1.00 2.50 H new ATOM 753 N GLU A 48 0.108 12.121 -5.384 1.00 0.29 N ATOM 754 CA GLU A 48 0.104 11.014 -6.325 1.00 0.26 C ATOM 755 C GLU A 48 0.394 11.572 -7.715 1.00 0.26 C ATOM 756 O GLU A 48 0.368 12.785 -7.928 1.00 0.33 O ATOM 757 CB GLU A 48 -1.244 10.283 -6.310 1.00 0.31 C ATOM 758 CG GLU A 48 -1.311 9.270 -5.166 1.00 1.27 C ATOM 759 CD GLU A 48 -2.576 8.427 -5.270 1.00 1.57 C ATOM 760 OE1 GLU A 48 -2.636 7.622 -6.225 1.00 2.19 O ATOM 761 OE2 GLU A 48 -3.455 8.599 -4.399 1.00 1.81 O ATOM 0 H GLU A 48 -0.568 12.844 -5.631 1.00 0.29 H new ATOM 0 HA GLU A 48 0.868 10.289 -6.043 1.00 0.26 H new ATOM 0 HB2 GLU A 48 -2.052 11.007 -6.206 1.00 0.31 H new ATOM 0 HB3 GLU A 48 -1.394 9.772 -7.261 1.00 0.31 H new ATOM 0 HG2 GLU A 48 -0.434 8.624 -5.193 1.00 1.27 H new ATOM 0 HG3 GLU A 48 -1.293 9.792 -4.209 1.00 1.27 H new ATOM 768 N LEU A 49 0.681 10.668 -8.654 1.00 0.24 N ATOM 769 CA LEU A 49 1.117 11.007 -9.993 1.00 0.26 C ATOM 770 C LEU A 49 0.680 9.883 -10.936 1.00 0.25 C ATOM 771 O LEU A 49 0.695 8.718 -10.548 1.00 0.43 O ATOM 772 CB LEU A 49 2.640 11.210 -9.922 1.00 0.32 C ATOM 773 CG LEU A 49 3.316 11.788 -11.170 1.00 0.37 C ATOM 774 CD1 LEU A 49 2.607 13.066 -11.626 1.00 0.75 C ATOM 775 CD2 LEU A 49 4.782 12.098 -10.817 1.00 0.55 C ATOM 0 H LEU A 49 0.613 9.663 -8.493 1.00 0.24 H new ATOM 0 HA LEU A 49 0.674 11.924 -10.382 1.00 0.26 H new ATOM 0 HB2 LEU A 49 2.857 11.869 -9.081 1.00 0.32 H new ATOM 0 HB3 LEU A 49 3.102 10.248 -9.700 1.00 0.32 H new ATOM 0 HG LEU A 49 3.263 11.067 -11.986 1.00 0.37 H new ATOM 0 HD11 LEU A 49 3.103 13.460 -12.513 1.00 0.75 H new ATOM 0 HD12 LEU A 49 1.567 12.841 -11.861 1.00 0.75 H new ATOM 0 HD13 LEU A 49 2.646 13.808 -10.829 1.00 0.75 H new ATOM 0 HD21 LEU A 49 5.287 12.511 -11.690 1.00 0.55 H new ATOM 0 HD22 LEU A 49 4.815 12.821 -10.002 1.00 0.55 H new ATOM 0 HD23 LEU A 49 5.284 11.181 -10.508 1.00 0.55 H new ATOM 787 N CYS A 50 0.277 10.233 -12.162 1.00 0.22 N ATOM 788 CA CYS A 50 -0.211 9.306 -13.179 1.00 0.21 C ATOM 789 C CYS A 50 0.771 9.295 -14.341 1.00 0.22 C ATOM 790 O CYS A 50 1.104 10.363 -14.846 1.00 0.28 O ATOM 791 CB CYS A 50 -1.594 9.752 -13.661 1.00 0.25 C ATOM 792 SG CYS A 50 -2.969 9.050 -12.721 1.00 0.53 S ATOM 0 H CYS A 50 0.283 11.202 -12.480 1.00 0.22 H new ATOM 0 HA CYS A 50 -0.294 8.302 -12.762 1.00 0.21 H new ATOM 0 HB2 CYS A 50 -1.651 10.839 -13.609 1.00 0.25 H new ATOM 0 HB3 CYS A 50 -1.707 9.476 -14.709 1.00 0.25 H new ATOM 797 N LEU A 51 1.233 8.109 -14.759 1.00 0.22 N ATOM 798 CA LEU A 51 2.227 7.986 -15.868 1.00 0.24 C ATOM 799 C LEU A 51 1.555 7.432 -17.126 1.00 0.28 C ATOM 800 O LEU A 51 0.534 6.779 -17.052 1.00 0.35 O ATOM 801 CB LEU A 51 3.341 7.033 -15.434 1.00 0.24 C ATOM 802 CG LEU A 51 3.778 7.380 -14.008 1.00 0.31 C ATOM 803 CD1 LEU A 51 4.945 6.477 -13.610 1.00 0.36 C ATOM 804 CD2 LEU A 51 4.229 8.841 -13.961 1.00 0.44 C ATOM 0 H LEU A 51 0.945 7.217 -14.357 1.00 0.22 H new ATOM 0 HA LEU A 51 2.637 8.971 -16.090 1.00 0.24 H new ATOM 0 HB2 LEU A 51 2.991 6.002 -15.478 1.00 0.24 H new ATOM 0 HB3 LEU A 51 4.188 7.111 -16.115 1.00 0.24 H new ATOM 0 HG LEU A 51 2.946 7.232 -13.319 1.00 0.31 H new ATOM 0 HD11 LEU A 51 5.262 6.718 -12.595 1.00 0.36 H new ATOM 0 HD12 LEU A 51 4.630 5.435 -13.654 1.00 0.36 H new ATOM 0 HD13 LEU A 51 5.777 6.633 -14.297 1.00 0.36 H new ATOM 0 HD21 LEU A 51 4.541 9.093 -12.948 1.00 0.44 H new ATOM 0 HD22 LEU A 51 5.065 8.986 -14.645 1.00 0.44 H new ATOM 0 HD23 LEU A 51 3.402 9.487 -14.257 1.00 0.44 H new ATOM 816 N ASP A 52 2.153 7.707 -18.254 1.00 0.31 N ATOM 817 CA ASP A 52 1.580 7.210 -19.538 1.00 0.38 C ATOM 818 C ASP A 52 2.453 6.043 -20.085 1.00 0.32 C ATOM 819 O ASP A 52 3.565 6.276 -20.516 1.00 0.31 O ATOM 820 CB ASP A 52 1.601 8.353 -20.552 1.00 0.48 C ATOM 821 CG ASP A 52 0.512 8.121 -21.600 1.00 0.65 C ATOM 822 OD1 ASP A 52 0.250 6.958 -21.859 1.00 0.62 O ATOM 823 OD2 ASP A 52 0.004 9.120 -22.083 1.00 1.03 O ATOM 0 H ASP A 52 3.010 8.252 -18.342 1.00 0.31 H new ATOM 0 HA ASP A 52 0.562 6.858 -19.374 1.00 0.38 H new ATOM 0 HB2 ASP A 52 1.438 9.305 -20.047 1.00 0.48 H new ATOM 0 HB3 ASP A 52 2.578 8.410 -21.033 1.00 0.48 H new ATOM 828 N PRO A 53 1.949 4.802 -20.064 1.00 0.39 N ATOM 829 CA PRO A 53 2.739 3.669 -20.564 1.00 0.44 C ATOM 830 C PRO A 53 3.110 3.884 -22.033 1.00 0.45 C ATOM 831 O PRO A 53 3.803 3.083 -22.629 1.00 0.57 O ATOM 832 CB PRO A 53 1.839 2.438 -20.405 1.00 0.58 C ATOM 833 CG PRO A 53 0.523 2.912 -19.720 1.00 0.63 C ATOM 834 CD PRO A 53 0.601 4.442 -19.576 1.00 0.50 C ATOM 0 HA PRO A 53 3.675 3.554 -20.017 1.00 0.44 H new ATOM 0 HB2 PRO A 53 1.627 1.989 -21.375 1.00 0.58 H new ATOM 0 HB3 PRO A 53 2.333 1.676 -19.802 1.00 0.58 H new ATOM 0 HG2 PRO A 53 -0.344 2.627 -20.316 1.00 0.63 H new ATOM 0 HG3 PRO A 53 0.408 2.441 -18.744 1.00 0.63 H new ATOM 0 HD2 PRO A 53 -0.176 4.934 -20.162 1.00 0.50 H new ATOM 0 HD3 PRO A 53 0.461 4.749 -18.539 1.00 0.50 H new ATOM 842 N LYS A 54 2.635 4.968 -22.585 1.00 0.39 N ATOM 843 CA LYS A 54 2.943 5.264 -24.003 1.00 0.44 C ATOM 844 C LYS A 54 4.370 5.809 -24.136 1.00 0.44 C ATOM 845 O LYS A 54 4.893 5.915 -25.227 1.00 0.50 O ATOM 846 CB LYS A 54 1.950 6.303 -24.521 1.00 0.48 C ATOM 847 CG LYS A 54 1.985 6.318 -26.050 1.00 0.95 C ATOM 848 CD LYS A 54 0.933 7.303 -26.566 1.00 1.29 C ATOM 849 CE LYS A 54 0.945 7.294 -28.096 1.00 1.92 C ATOM 850 NZ LYS A 54 -0.228 6.537 -28.620 1.00 2.78 N ATOM 0 H LYS A 54 2.049 5.656 -22.112 1.00 0.39 H new ATOM 0 HA LYS A 54 2.863 4.347 -24.587 1.00 0.44 H new ATOM 0 HB2 LYS A 54 0.945 6.068 -24.171 1.00 0.48 H new ATOM 0 HB3 LYS A 54 2.201 7.289 -24.130 1.00 0.48 H new ATOM 0 HG2 LYS A 54 2.976 6.608 -26.401 1.00 0.95 H new ATOM 0 HG3 LYS A 54 1.789 5.319 -26.440 1.00 0.95 H new ATOM 0 HD2 LYS A 54 -0.054 7.026 -26.196 1.00 1.29 H new ATOM 0 HD3 LYS A 54 1.143 8.306 -26.194 1.00 1.29 H new ATOM 0 HE2 LYS A 54 0.924 8.317 -28.472 1.00 1.92 H new ATOM 0 HE3 LYS A 54 1.869 6.841 -28.456 1.00 1.92 H new ATOM 0 HZ1 LYS A 54 -0.206 6.539 -29.660 1.00 2.78 H new ATOM 0 HZ2 LYS A 54 -0.191 5.557 -28.275 1.00 2.78 H new ATOM 0 HZ3 LYS A 54 -1.106 6.986 -28.291 1.00 2.78 H new ATOM 864 N GLU A 55 4.970 6.142 -23.017 1.00 0.39 N ATOM 865 CA GLU A 55 6.364 6.685 -23.064 1.00 0.40 C ATOM 866 C GLU A 55 7.370 5.594 -22.684 1.00 0.40 C ATOM 867 O GLU A 55 7.149 4.835 -21.762 1.00 0.39 O ATOM 868 CB GLU A 55 6.484 7.855 -22.091 1.00 0.38 C ATOM 869 CG GLU A 55 5.388 8.879 -22.392 1.00 0.41 C ATOM 870 CD GLU A 55 6.033 10.214 -22.772 1.00 0.97 C ATOM 871 OE1 GLU A 55 6.820 10.188 -23.705 1.00 1.65 O ATOM 872 OE2 GLU A 55 5.705 11.183 -22.108 1.00 1.43 O ATOM 0 H GLU A 55 4.561 6.063 -22.086 1.00 0.39 H new ATOM 0 HA GLU A 55 6.580 7.026 -24.077 1.00 0.40 H new ATOM 0 HB2 GLU A 55 6.393 7.500 -21.065 1.00 0.38 H new ATOM 0 HB3 GLU A 55 7.466 8.319 -22.182 1.00 0.38 H new ATOM 0 HG2 GLU A 55 4.755 8.523 -23.205 1.00 0.41 H new ATOM 0 HG3 GLU A 55 4.745 9.007 -21.521 1.00 0.41 H new ATOM 879 N ASN A 56 8.458 5.550 -23.398 1.00 0.44 N ATOM 880 CA ASN A 56 9.485 4.508 -23.105 1.00 0.45 C ATOM 881 C ASN A 56 10.122 4.729 -21.728 1.00 0.42 C ATOM 882 O ASN A 56 10.365 3.784 -21.004 1.00 0.42 O ATOM 883 CB ASN A 56 10.570 4.565 -24.179 1.00 0.50 C ATOM 884 CG ASN A 56 10.235 3.569 -25.291 1.00 1.15 C ATOM 885 OD1 ASN A 56 9.102 3.163 -25.456 1.00 1.86 O ATOM 886 ND2 ASN A 56 11.190 3.152 -26.075 1.00 1.95 N ATOM 0 H ASN A 56 8.682 6.183 -24.166 1.00 0.44 H new ATOM 0 HA ASN A 56 9.000 3.532 -23.104 1.00 0.45 H new ATOM 0 HB2 ASN A 56 10.641 5.573 -24.587 1.00 0.50 H new ATOM 0 HB3 ASN A 56 11.541 4.329 -23.744 1.00 0.50 H new ATOM 0 HD21 ASN A 56 10.984 2.489 -26.822 1.00 1.95 H new ATOM 0 HD22 ASN A 56 12.143 3.489 -25.941 1.00 1.95 H new ATOM 893 N TRP A 57 10.382 5.965 -21.387 1.00 0.41 N ATOM 894 CA TRP A 57 11.016 6.220 -20.059 1.00 0.39 C ATOM 895 C TRP A 57 10.093 5.764 -18.928 1.00 0.35 C ATOM 896 O TRP A 57 10.540 5.516 -17.829 1.00 0.36 O ATOM 897 CB TRP A 57 11.345 7.710 -19.901 1.00 0.39 C ATOM 898 CG TRP A 57 10.073 8.565 -20.001 1.00 0.37 C ATOM 899 CD1 TRP A 57 9.665 9.166 -21.116 1.00 0.40 C ATOM 900 CD2 TRP A 57 9.267 8.855 -18.991 1.00 0.34 C ATOM 901 NE1 TRP A 57 8.570 9.841 -20.734 1.00 0.38 N ATOM 902 CE2 TRP A 57 8.249 9.699 -19.405 1.00 0.35 C ATOM 903 CE3 TRP A 57 9.318 8.445 -17.670 1.00 0.32 C ATOM 904 CZ2 TRP A 57 7.293 10.129 -18.507 1.00 0.34 C ATOM 905 CZ3 TRP A 57 8.357 8.877 -16.774 1.00 0.30 C ATOM 906 CH2 TRP A 57 7.346 9.718 -17.192 1.00 0.32 C ATOM 0 H TRP A 57 10.189 6.790 -21.954 1.00 0.41 H new ATOM 0 HA TRP A 57 11.942 5.648 -20.006 1.00 0.39 H new ATOM 0 HB2 TRP A 57 11.828 7.880 -18.939 1.00 0.39 H new ATOM 0 HB3 TRP A 57 12.054 8.014 -20.671 1.00 0.39 H new ATOM 0 HD1 TRP A 57 10.111 9.121 -22.099 1.00 0.40 H new ATOM 0 HE1 TRP A 57 8.021 10.412 -21.377 1.00 0.38 H new ATOM 0 HE3 TRP A 57 10.108 7.788 -17.339 1.00 0.32 H new ATOM 0 HZ2 TRP A 57 6.503 10.788 -18.835 1.00 0.34 H new ATOM 0 HZ3 TRP A 57 8.398 8.555 -15.744 1.00 0.30 H new ATOM 0 HH2 TRP A 57 6.597 10.054 -16.490 1.00 0.32 H new ATOM 917 N VAL A 58 8.826 5.655 -19.213 1.00 0.34 N ATOM 918 CA VAL A 58 7.889 5.206 -18.144 1.00 0.31 C ATOM 919 C VAL A 58 8.043 3.705 -17.934 1.00 0.32 C ATOM 920 O VAL A 58 8.016 3.221 -16.819 1.00 0.31 O ATOM 921 CB VAL A 58 6.451 5.520 -18.564 1.00 0.31 C ATOM 922 CG1 VAL A 58 5.489 4.604 -17.811 1.00 0.30 C ATOM 923 CG2 VAL A 58 6.134 6.974 -18.224 1.00 0.31 C ATOM 0 H VAL A 58 8.404 5.852 -20.120 1.00 0.34 H new ATOM 0 HA VAL A 58 8.117 5.727 -17.215 1.00 0.31 H new ATOM 0 HB VAL A 58 6.341 5.360 -19.637 1.00 0.31 H new ATOM 0 HG11 VAL A 58 4.465 4.827 -18.110 1.00 0.30 H new ATOM 0 HG12 VAL A 58 5.717 3.564 -18.046 1.00 0.30 H new ATOM 0 HG13 VAL A 58 5.597 4.765 -16.738 1.00 0.30 H new ATOM 0 HG21 VAL A 58 5.111 7.202 -18.521 1.00 0.31 H new ATOM 0 HG22 VAL A 58 6.243 7.129 -17.151 1.00 0.31 H new ATOM 0 HG23 VAL A 58 6.822 7.631 -18.757 1.00 0.31 H new ATOM 933 N GLN A 59 8.204 3.001 -19.013 1.00 0.36 N ATOM 934 CA GLN A 59 8.373 1.532 -18.903 1.00 0.38 C ATOM 935 C GLN A 59 9.714 1.217 -18.235 1.00 0.38 C ATOM 936 O GLN A 59 9.913 0.144 -17.712 1.00 0.40 O ATOM 937 CB GLN A 59 8.352 0.925 -20.306 1.00 0.42 C ATOM 938 CG GLN A 59 8.011 -0.561 -20.206 1.00 0.45 C ATOM 939 CD GLN A 59 7.970 -1.166 -21.610 1.00 1.23 C ATOM 940 OE1 GLN A 59 8.451 -0.585 -22.563 1.00 1.92 O ATOM 941 NE2 GLN A 59 7.405 -2.329 -21.783 1.00 2.03 N ATOM 0 H GLN A 59 8.226 3.376 -19.961 1.00 0.36 H new ATOM 0 HA GLN A 59 7.565 1.113 -18.303 1.00 0.38 H new ATOM 0 HB2 GLN A 59 7.617 1.438 -20.926 1.00 0.42 H new ATOM 0 HB3 GLN A 59 9.322 1.056 -20.786 1.00 0.42 H new ATOM 0 HG2 GLN A 59 8.754 -1.076 -19.597 1.00 0.45 H new ATOM 0 HG3 GLN A 59 7.048 -0.692 -19.713 1.00 0.45 H new ATOM 0 HE21 GLN A 59 6.999 -2.822 -20.988 1.00 2.03 H new ATOM 0 HE22 GLN A 59 7.369 -2.745 -22.714 1.00 2.03 H new ATOM 950 N ARG A 60 10.601 2.176 -18.256 1.00 0.38 N ATOM 951 CA ARG A 60 11.943 1.949 -17.645 1.00 0.39 C ATOM 952 C ARG A 60 11.938 2.289 -16.147 1.00 0.36 C ATOM 953 O ARG A 60 12.221 1.443 -15.323 1.00 0.38 O ATOM 954 CB ARG A 60 12.966 2.829 -18.359 1.00 0.41 C ATOM 955 CG ARG A 60 14.171 1.978 -18.762 1.00 0.86 C ATOM 956 CD ARG A 60 15.197 2.863 -19.471 1.00 1.03 C ATOM 957 NE ARG A 60 16.544 2.242 -19.339 1.00 1.78 N ATOM 958 CZ ARG A 60 17.312 2.153 -20.389 1.00 2.17 C ATOM 959 NH1 ARG A 60 17.395 3.171 -21.201 1.00 2.50 N ATOM 960 NH2 ARG A 60 17.973 1.046 -20.592 1.00 2.82 N ATOM 0 H ARG A 60 10.457 3.099 -18.666 1.00 0.38 H new ATOM 0 HA ARG A 60 12.201 0.896 -17.754 1.00 0.39 H new ATOM 0 HB2 ARG A 60 12.517 3.286 -19.241 1.00 0.41 H new ATOM 0 HB3 ARG A 60 13.283 3.642 -17.706 1.00 0.41 H new ATOM 0 HG2 ARG A 60 14.617 1.518 -17.881 1.00 0.86 H new ATOM 0 HG3 ARG A 60 13.856 1.168 -19.420 1.00 0.86 H new ATOM 0 HD2 ARG A 60 14.935 2.975 -20.523 1.00 1.03 H new ATOM 0 HD3 ARG A 60 15.198 3.862 -19.035 1.00 1.03 H new ATOM 0 HE ARG A 60 16.863 1.890 -18.436 1.00 1.78 H new ATOM 0 HH11 ARG A 60 16.864 4.020 -21.010 1.00 2.50 H new ATOM 0 HH12 ARG A 60 17.991 3.117 -22.027 1.00 2.50 H new ATOM 0 HH21 ARG A 60 17.883 0.271 -19.935 1.00 2.82 H new ATOM 0 HH22 ARG A 60 18.579 0.956 -21.407 1.00 2.82 H new ATOM 974 N VAL A 61 11.619 3.517 -15.820 1.00 0.32 N ATOM 975 CA VAL A 61 11.617 3.897 -14.383 1.00 0.29 C ATOM 976 C VAL A 61 10.664 2.977 -13.614 1.00 0.27 C ATOM 977 O VAL A 61 10.893 2.659 -12.462 1.00 0.26 O ATOM 978 CB VAL A 61 11.179 5.358 -14.255 1.00 0.28 C ATOM 979 CG1 VAL A 61 12.090 6.233 -15.125 1.00 0.36 C ATOM 980 CG2 VAL A 61 9.729 5.491 -14.728 1.00 0.33 C ATOM 0 H VAL A 61 11.365 4.257 -16.475 1.00 0.32 H new ATOM 0 HA VAL A 61 12.617 3.789 -13.963 1.00 0.29 H new ATOM 0 HB VAL A 61 11.252 5.680 -13.216 1.00 0.28 H new ATOM 0 HG11 VAL A 61 11.784 7.276 -15.039 1.00 0.36 H new ATOM 0 HG12 VAL A 61 13.122 6.129 -14.790 1.00 0.36 H new ATOM 0 HG13 VAL A 61 12.013 5.917 -16.165 1.00 0.36 H new ATOM 0 HG21 VAL A 61 9.411 6.530 -14.639 1.00 0.33 H new ATOM 0 HG22 VAL A 61 9.656 5.177 -15.769 1.00 0.33 H new ATOM 0 HG23 VAL A 61 9.086 4.861 -14.113 1.00 0.33 H new ATOM 990 N VAL A 62 9.618 2.559 -14.271 1.00 0.28 N ATOM 991 CA VAL A 62 8.657 1.642 -13.600 1.00 0.28 C ATOM 992 C VAL A 62 9.268 0.241 -13.516 1.00 0.30 C ATOM 993 O VAL A 62 9.135 -0.439 -12.519 1.00 0.29 O ATOM 994 CB VAL A 62 7.359 1.591 -14.405 1.00 0.30 C ATOM 995 CG1 VAL A 62 6.445 0.513 -13.820 1.00 0.31 C ATOM 996 CG2 VAL A 62 6.656 2.948 -14.314 1.00 0.31 C ATOM 0 H VAL A 62 9.389 2.810 -15.233 1.00 0.28 H new ATOM 0 HA VAL A 62 8.444 2.004 -12.594 1.00 0.28 H new ATOM 0 HB VAL A 62 7.582 1.360 -15.447 1.00 0.30 H new ATOM 0 HG11 VAL A 62 5.518 0.473 -14.391 1.00 0.31 H new ATOM 0 HG12 VAL A 62 6.945 -0.454 -13.871 1.00 0.31 H new ATOM 0 HG13 VAL A 62 6.221 0.751 -12.780 1.00 0.31 H new ATOM 0 HG21 VAL A 62 5.729 2.917 -14.887 1.00 0.31 H new ATOM 0 HG22 VAL A 62 6.431 3.172 -13.271 1.00 0.31 H new ATOM 0 HG23 VAL A 62 7.307 3.723 -14.719 1.00 0.31 H new ATOM 1006 N GLU A 63 9.928 -0.159 -14.574 1.00 0.33 N ATOM 1007 CA GLU A 63 10.567 -1.508 -14.568 1.00 0.36 C ATOM 1008 C GLU A 63 11.592 -1.590 -13.439 1.00 0.33 C ATOM 1009 O GLU A 63 11.691 -2.591 -12.759 1.00 0.35 O ATOM 1010 CB GLU A 63 11.272 -1.739 -15.905 1.00 0.41 C ATOM 1011 CG GLU A 63 12.107 -3.017 -15.814 1.00 0.50 C ATOM 1012 CD GLU A 63 12.260 -3.621 -17.211 1.00 1.25 C ATOM 1013 OE1 GLU A 63 13.115 -3.121 -17.925 1.00 1.92 O ATOM 1014 OE2 GLU A 63 11.513 -4.545 -17.487 1.00 1.89 O ATOM 0 H GLU A 63 10.051 0.382 -15.430 1.00 0.33 H new ATOM 0 HA GLU A 63 9.801 -2.268 -14.417 1.00 0.36 H new ATOM 0 HB2 GLU A 63 10.539 -1.825 -16.707 1.00 0.41 H new ATOM 0 HB3 GLU A 63 11.910 -0.889 -16.146 1.00 0.41 H new ATOM 0 HG2 GLU A 63 13.087 -2.795 -15.392 1.00 0.50 H new ATOM 0 HG3 GLU A 63 11.627 -3.732 -15.147 1.00 0.50 H new ATOM 1021 N LYS A 64 12.335 -0.530 -13.262 1.00 0.31 N ATOM 1022 CA LYS A 64 13.356 -0.535 -12.182 1.00 0.31 C ATOM 1023 C LYS A 64 12.675 -0.692 -10.820 1.00 0.27 C ATOM 1024 O LYS A 64 13.148 -1.420 -9.971 1.00 0.28 O ATOM 1025 CB LYS A 64 14.139 0.776 -12.221 1.00 0.32 C ATOM 1026 CG LYS A 64 15.461 0.546 -12.959 1.00 0.47 C ATOM 1027 CD LYS A 64 16.224 1.868 -13.053 1.00 1.04 C ATOM 1028 CE LYS A 64 17.502 1.649 -13.864 1.00 1.37 C ATOM 1029 NZ LYS A 64 18.568 2.593 -13.424 1.00 1.84 N ATOM 0 H LYS A 64 12.279 0.327 -13.812 1.00 0.31 H new ATOM 0 HA LYS A 64 14.038 -1.371 -12.334 1.00 0.31 H new ATOM 0 HB2 LYS A 64 13.556 1.548 -12.724 1.00 0.32 H new ATOM 0 HB3 LYS A 64 14.330 1.131 -11.208 1.00 0.32 H new ATOM 0 HG2 LYS A 64 16.060 -0.196 -12.432 1.00 0.47 H new ATOM 0 HG3 LYS A 64 15.270 0.151 -13.957 1.00 0.47 H new ATOM 0 HD2 LYS A 64 15.603 2.628 -13.527 1.00 1.04 H new ATOM 0 HD3 LYS A 64 16.469 2.233 -12.056 1.00 1.04 H new ATOM 0 HE2 LYS A 64 17.845 0.622 -13.743 1.00 1.37 H new ATOM 0 HE3 LYS A 64 17.296 1.793 -14.925 1.00 1.37 H new ATOM 0 HZ1 LYS A 64 19.429 2.431 -13.985 1.00 1.84 H new ATOM 0 HZ2 LYS A 64 18.244 3.571 -13.562 1.00 1.84 H new ATOM 0 HZ3 LYS A 64 18.776 2.437 -12.417 1.00 1.84 H new ATOM 1043 N PHE A 65 11.575 -0.008 -10.638 1.00 0.24 N ATOM 1044 CA PHE A 65 10.860 -0.127 -9.335 1.00 0.21 C ATOM 1045 C PHE A 65 10.550 -1.595 -9.037 1.00 0.24 C ATOM 1046 O PHE A 65 10.740 -2.059 -7.931 1.00 0.25 O ATOM 1047 CB PHE A 65 9.559 0.653 -9.389 1.00 0.19 C ATOM 1048 CG PHE A 65 8.813 0.452 -8.066 1.00 0.17 C ATOM 1049 CD1 PHE A 65 9.286 1.029 -6.899 1.00 0.18 C ATOM 1050 CD2 PHE A 65 7.659 -0.311 -8.016 1.00 0.19 C ATOM 1051 CE1 PHE A 65 8.615 0.844 -5.706 1.00 0.18 C ATOM 1052 CE2 PHE A 65 6.991 -0.495 -6.820 1.00 0.19 C ATOM 1053 CZ PHE A 65 7.470 0.081 -5.668 1.00 0.17 C ATOM 0 H PHE A 65 11.148 0.617 -11.322 1.00 0.24 H new ATOM 0 HA PHE A 65 11.498 0.276 -8.549 1.00 0.21 H new ATOM 0 HB2 PHE A 65 9.759 1.712 -9.553 1.00 0.19 H new ATOM 0 HB3 PHE A 65 8.947 0.311 -10.224 1.00 0.19 H new ATOM 0 HD1 PHE A 65 10.185 1.627 -6.922 1.00 0.18 H new ATOM 0 HD2 PHE A 65 7.278 -0.766 -8.918 1.00 0.19 H new ATOM 0 HE1 PHE A 65 8.990 1.299 -4.801 1.00 0.18 H new ATOM 0 HE2 PHE A 65 6.092 -1.092 -6.791 1.00 0.19 H new ATOM 0 HZ PHE A 65 6.949 -0.065 -4.734 1.00 0.17 H new ATOM 1063 N LEU A 66 10.076 -2.297 -10.032 1.00 0.29 N ATOM 1064 CA LEU A 66 9.746 -3.737 -9.822 1.00 0.35 C ATOM 1065 C LEU A 66 11.021 -4.538 -9.540 1.00 0.35 C ATOM 1066 O LEU A 66 11.053 -5.369 -8.654 1.00 0.37 O ATOM 1067 CB LEU A 66 9.067 -4.281 -11.078 1.00 0.44 C ATOM 1068 CG LEU A 66 7.558 -4.059 -10.971 1.00 0.61 C ATOM 1069 CD1 LEU A 66 6.960 -3.981 -12.377 1.00 1.12 C ATOM 1070 CD2 LEU A 66 6.926 -5.234 -10.221 1.00 0.77 C ATOM 0 H LEU A 66 9.904 -1.940 -10.972 1.00 0.29 H new ATOM 0 HA LEU A 66 9.077 -3.832 -8.967 1.00 0.35 H new ATOM 0 HB2 LEU A 66 9.458 -3.780 -11.963 1.00 0.44 H new ATOM 0 HB3 LEU A 66 9.283 -5.343 -11.191 1.00 0.44 H new ATOM 0 HG LEU A 66 7.361 -3.131 -10.434 1.00 0.61 H new ATOM 0 HD11 LEU A 66 5.884 -3.823 -12.306 1.00 1.12 H new ATOM 0 HD12 LEU A 66 7.414 -3.152 -12.920 1.00 1.12 H new ATOM 0 HD13 LEU A 66 7.156 -4.913 -12.908 1.00 1.12 H new ATOM 0 HD21 LEU A 66 5.850 -5.079 -10.143 1.00 0.77 H new ATOM 0 HD22 LEU A 66 7.121 -6.159 -10.763 1.00 0.77 H new ATOM 0 HD23 LEU A 66 7.356 -5.302 -9.222 1.00 0.77 H new ATOM 1082 N LYS A 67 12.047 -4.273 -10.303 1.00 0.38 N ATOM 1083 CA LYS A 67 13.326 -5.010 -10.092 1.00 0.42 C ATOM 1084 C LYS A 67 13.946 -4.620 -8.746 1.00 0.39 C ATOM 1085 O LYS A 67 14.688 -5.382 -8.157 1.00 0.44 O ATOM 1086 CB LYS A 67 14.295 -4.661 -11.220 1.00 0.48 C ATOM 1087 CG LYS A 67 15.085 -5.913 -11.608 1.00 0.95 C ATOM 1088 CD LYS A 67 16.312 -5.497 -12.421 1.00 1.34 C ATOM 1089 CE LYS A 67 17.121 -6.741 -12.767 1.00 1.63 C ATOM 1090 NZ LYS A 67 18.182 -6.435 -13.767 1.00 2.28 N ATOM 0 H LYS A 67 12.056 -3.585 -11.056 1.00 0.38 H new ATOM 0 HA LYS A 67 13.127 -6.082 -10.090 1.00 0.42 H new ATOM 0 HB2 LYS A 67 13.747 -4.280 -12.082 1.00 0.48 H new ATOM 0 HB3 LYS A 67 14.975 -3.871 -10.900 1.00 0.48 H new ATOM 0 HG2 LYS A 67 15.392 -6.456 -10.714 1.00 0.95 H new ATOM 0 HG3 LYS A 67 14.458 -6.588 -12.191 1.00 0.95 H new ATOM 0 HD2 LYS A 67 16.004 -4.983 -13.331 1.00 1.34 H new ATOM 0 HD3 LYS A 67 16.923 -4.797 -11.850 1.00 1.34 H new ATOM 0 HE2 LYS A 67 17.576 -7.145 -11.863 1.00 1.63 H new ATOM 0 HE3 LYS A 67 16.458 -7.511 -13.161 1.00 1.63 H new ATOM 0 HZ1 LYS A 67 18.716 -7.301 -13.983 1.00 2.28 H new ATOM 0 HZ2 LYS A 67 17.744 -6.072 -14.638 1.00 2.28 H new ATOM 0 HZ3 LYS A 67 18.828 -5.718 -13.380 1.00 2.28 H new ATOM 1104 N ARG A 68 13.628 -3.438 -8.289 1.00 0.34 N ATOM 1105 CA ARG A 68 14.190 -2.982 -6.984 1.00 0.35 C ATOM 1106 C ARG A 68 13.362 -3.543 -5.823 1.00 0.34 C ATOM 1107 O ARG A 68 13.904 -4.022 -4.847 1.00 0.39 O ATOM 1108 CB ARG A 68 14.162 -1.456 -6.937 1.00 0.35 C ATOM 1109 CG ARG A 68 14.693 -0.985 -5.582 1.00 0.43 C ATOM 1110 CD ARG A 68 15.614 0.218 -5.792 1.00 0.98 C ATOM 1111 NE ARG A 68 15.810 0.911 -4.487 1.00 1.58 N ATOM 1112 CZ ARG A 68 16.879 1.635 -4.299 1.00 2.23 C ATOM 1113 NH1 ARG A 68 17.681 1.848 -5.307 1.00 2.78 N ATOM 1114 NH2 ARG A 68 17.111 2.122 -3.111 1.00 2.91 N ATOM 0 H ARG A 68 13.010 -2.775 -8.757 1.00 0.34 H new ATOM 0 HA ARG A 68 15.215 -3.341 -6.890 1.00 0.35 H new ATOM 0 HB2 ARG A 68 14.770 -1.044 -7.742 1.00 0.35 H new ATOM 0 HB3 ARG A 68 13.145 -1.094 -7.088 1.00 0.35 H new ATOM 0 HG2 ARG A 68 13.864 -0.714 -4.928 1.00 0.43 H new ATOM 0 HG3 ARG A 68 15.236 -1.792 -5.090 1.00 0.43 H new ATOM 0 HD2 ARG A 68 16.574 -0.108 -6.193 1.00 0.98 H new ATOM 0 HD3 ARG A 68 15.180 0.902 -6.521 1.00 0.98 H new ATOM 0 HE ARG A 68 15.114 0.820 -3.747 1.00 1.58 H new ATOM 0 HH11 ARG A 68 17.467 1.451 -6.222 1.00 2.78 H new ATOM 0 HH12 ARG A 68 18.522 2.411 -5.180 1.00 2.78 H new ATOM 0 HH21 ARG A 68 16.461 1.935 -2.347 1.00 2.91 H new ATOM 0 HH22 ARG A 68 17.942 2.690 -2.946 1.00 2.91 H new ATOM 1128 N ALA A 69 12.065 -3.473 -5.953 1.00 0.30 N ATOM 1129 CA ALA A 69 11.190 -4.000 -4.864 1.00 0.32 C ATOM 1130 C ALA A 69 11.287 -5.529 -4.807 1.00 0.38 C ATOM 1131 O ALA A 69 11.017 -6.132 -3.787 1.00 0.42 O ATOM 1132 CB ALA A 69 9.743 -3.588 -5.139 1.00 0.29 C ATOM 0 H ALA A 69 11.576 -3.078 -6.757 1.00 0.30 H new ATOM 0 HA ALA A 69 11.515 -3.589 -3.908 1.00 0.32 H new ATOM 0 HB1 ALA A 69 9.099 -3.970 -4.347 1.00 0.29 H new ATOM 0 HB2 ALA A 69 9.674 -2.501 -5.170 1.00 0.29 H new ATOM 0 HB3 ALA A 69 9.423 -3.999 -6.096 1.00 0.29 H new ATOM 1138 N GLU A 70 11.672 -6.119 -5.905 1.00 0.42 N ATOM 1139 CA GLU A 70 11.794 -7.605 -5.934 1.00 0.50 C ATOM 1140 C GLU A 70 13.146 -8.033 -5.353 1.00 0.54 C ATOM 1141 O GLU A 70 13.230 -8.988 -4.606 1.00 0.60 O ATOM 1142 CB GLU A 70 11.683 -8.089 -7.379 1.00 0.52 C ATOM 1143 CG GLU A 70 11.744 -9.619 -7.405 1.00 0.66 C ATOM 1144 CD GLU A 70 11.499 -10.112 -8.831 1.00 1.17 C ATOM 1145 OE1 GLU A 70 10.338 -10.124 -9.208 1.00 1.85 O ATOM 1146 OE2 GLU A 70 12.486 -10.449 -9.465 1.00 1.85 O ATOM 0 H GLU A 70 11.906 -5.642 -6.776 1.00 0.42 H new ATOM 0 HA GLU A 70 10.996 -8.044 -5.334 1.00 0.50 H new ATOM 0 HB2 GLU A 70 10.748 -7.743 -7.820 1.00 0.52 H new ATOM 0 HB3 GLU A 70 12.492 -7.671 -7.978 1.00 0.52 H new ATOM 0 HG2 GLU A 70 12.717 -9.961 -7.052 1.00 0.66 H new ATOM 0 HG3 GLU A 70 10.996 -10.035 -6.731 1.00 0.66 H new ATOM 1153 N ASN A 71 14.176 -7.316 -5.711 1.00 0.54 N ATOM 1154 CA ASN A 71 15.529 -7.664 -5.189 1.00 0.61 C ATOM 1155 C ASN A 71 15.617 -7.350 -3.692 1.00 0.65 C ATOM 1156 O ASN A 71 16.381 -7.958 -2.971 1.00 0.80 O ATOM 1157 CB ASN A 71 16.580 -6.851 -5.943 1.00 0.66 C ATOM 1158 CG ASN A 71 17.922 -6.964 -5.220 1.00 0.78 C ATOM 1159 OD1 ASN A 71 18.147 -6.335 -4.206 1.00 1.20 O ATOM 1160 ND2 ASN A 71 18.839 -7.752 -5.708 1.00 1.42 N ATOM 0 H ASN A 71 14.141 -6.511 -6.337 1.00 0.54 H new ATOM 0 HA ASN A 71 15.707 -8.729 -5.336 1.00 0.61 H new ATOM 0 HB2 ASN A 71 16.673 -7.216 -6.966 1.00 0.66 H new ATOM 0 HB3 ASN A 71 16.274 -5.807 -6.004 1.00 0.66 H new ATOM 0 HD21 ASN A 71 19.740 -7.838 -5.238 1.00 1.42 H new ATOM 0 HD22 ASN A 71 18.655 -8.283 -6.559 1.00 1.42 H new ATOM 1167 N SER A 72 14.830 -6.403 -3.260 1.00 0.57 N ATOM 1168 CA SER A 72 14.854 -6.035 -1.813 1.00 0.64 C ATOM 1169 C SER A 72 14.501 -7.253 -0.952 1.00 0.84 C ATOM 1170 O SER A 72 14.209 -7.028 0.210 1.00 1.43 O ATOM 1171 CB SER A 72 13.836 -4.923 -1.564 1.00 0.65 C ATOM 1172 OG SER A 72 14.464 -4.088 -0.602 1.00 1.32 O ATOM 1173 OXT SER A 72 14.544 -8.338 -1.508 1.00 1.42 O ATOM 0 H SER A 72 14.178 -5.872 -3.838 1.00 0.57 H new ATOM 0 HA SER A 72 15.853 -5.692 -1.545 1.00 0.64 H new ATOM 0 HB2 SER A 72 13.611 -4.377 -2.480 1.00 0.65 H new ATOM 0 HB3 SER A 72 12.893 -5.322 -1.191 1.00 0.65 H new ATOM 0 HG SER A 72 13.872 -3.338 -0.384 1.00 1.32 H new TER 1179 SER A 72 ATOM 1180 N ALA B 2 7.267 7.214 15.993 1.00 5.91 N ATOM 1181 CA ALA B 2 8.397 6.283 15.708 1.00 5.70 C ATOM 1182 C ALA B 2 8.542 5.288 16.863 1.00 5.15 C ATOM 1183 O ALA B 2 9.464 5.382 17.650 1.00 5.42 O ATOM 1184 CB ALA B 2 9.703 7.057 15.543 1.00 6.12 C ATOM 0 HA ALA B 2 8.184 5.750 14.781 1.00 5.70 H new ATOM 0 HB1 ALA B 2 10.515 6.360 15.336 1.00 6.12 H new ATOM 0 HB2 ALA B 2 9.607 7.760 14.715 1.00 6.12 H new ATOM 0 HB3 ALA B 2 9.920 7.604 16.460 1.00 6.12 H new ATOM 1189 N LYS B 3 7.624 4.357 16.936 1.00 4.74 N ATOM 1190 CA LYS B 3 7.680 3.337 18.031 1.00 4.44 C ATOM 1191 C LYS B 3 7.523 1.929 17.447 1.00 3.72 C ATOM 1192 O LYS B 3 8.441 1.133 17.483 1.00 3.93 O ATOM 1193 CB LYS B 3 6.551 3.602 19.038 1.00 5.01 C ATOM 1194 CG LYS B 3 5.968 5.009 18.811 1.00 5.72 C ATOM 1195 CD LYS B 3 5.127 5.030 17.525 1.00 6.38 C ATOM 1196 CE LYS B 3 3.693 5.440 17.869 1.00 7.00 C ATOM 1197 NZ LYS B 3 3.115 4.514 18.885 1.00 7.41 N ATOM 0 H LYS B 3 6.842 4.258 16.289 1.00 4.74 H new ATOM 0 HA LYS B 3 8.644 3.409 18.534 1.00 4.44 H new ATOM 0 HB2 LYS B 3 5.768 2.852 18.926 1.00 5.01 H new ATOM 0 HB3 LYS B 3 6.932 3.516 20.056 1.00 5.01 H new ATOM 0 HG2 LYS B 3 5.352 5.298 19.663 1.00 5.72 H new ATOM 0 HG3 LYS B 3 6.775 5.738 18.739 1.00 5.72 H new ATOM 0 HD2 LYS B 3 5.556 5.729 16.807 1.00 6.38 H new ATOM 0 HD3 LYS B 3 5.134 4.046 17.055 1.00 6.38 H new ATOM 0 HE2 LYS B 3 3.682 6.461 18.251 1.00 7.00 H new ATOM 0 HE3 LYS B 3 3.079 5.430 16.968 1.00 7.00 H new ATOM 0 HZ1 LYS B 3 2.104 4.370 18.688 1.00 7.41 H new ATOM 0 HZ2 LYS B 3 3.609 3.600 18.843 1.00 7.41 H new ATOM 0 HZ3 LYS B 3 3.228 4.925 19.834 1.00 7.41 H new ATOM 1211 N GLU B 4 6.361 1.651 16.919 1.00 3.22 N ATOM 1212 CA GLU B 4 6.126 0.300 16.329 1.00 2.71 C ATOM 1213 C GLU B 4 5.234 0.413 15.087 1.00 2.35 C ATOM 1214 O GLU B 4 4.152 0.963 15.148 1.00 2.67 O ATOM 1215 CB GLU B 4 5.444 -0.588 17.367 1.00 3.04 C ATOM 1216 CG GLU B 4 6.232 -0.524 18.675 1.00 3.68 C ATOM 1217 CD GLU B 4 5.744 -1.629 19.615 1.00 4.08 C ATOM 1218 OE1 GLU B 4 4.880 -2.370 19.179 1.00 4.41 O ATOM 1219 OE2 GLU B 4 6.265 -1.670 20.717 1.00 4.37 O ATOM 0 H GLU B 4 5.571 2.294 16.870 1.00 3.22 H new ATOM 0 HA GLU B 4 7.082 -0.136 16.038 1.00 2.71 H new ATOM 0 HB2 GLU B 4 4.418 -0.257 17.529 1.00 3.04 H new ATOM 0 HB3 GLU B 4 5.394 -1.616 17.008 1.00 3.04 H new ATOM 0 HG2 GLU B 4 7.297 -0.643 18.477 1.00 3.68 H new ATOM 0 HG3 GLU B 4 6.102 0.451 19.144 1.00 3.68 H new ATOM 1226 N LEU B 5 5.713 -0.114 13.989 1.00 2.28 N ATOM 1227 CA LEU B 5 4.914 -0.056 12.723 1.00 2.32 C ATOM 1228 C LEU B 5 4.882 -1.438 12.064 1.00 1.52 C ATOM 1229 O LEU B 5 5.905 -2.073 11.904 1.00 1.69 O ATOM 1230 CB LEU B 5 5.560 0.947 11.771 1.00 3.39 C ATOM 1231 CG LEU B 5 5.388 2.361 12.330 1.00 4.32 C ATOM 1232 CD1 LEU B 5 6.755 3.045 12.396 1.00 5.10 C ATOM 1233 CD2 LEU B 5 4.469 3.160 11.404 1.00 5.08 C ATOM 0 H LEU B 5 6.617 -0.580 13.912 1.00 2.28 H new ATOM 0 HA LEU B 5 3.894 0.254 12.951 1.00 2.32 H new ATOM 0 HB2 LEU B 5 6.619 0.719 11.648 1.00 3.39 H new ATOM 0 HB3 LEU B 5 5.102 0.876 10.784 1.00 3.39 H new ATOM 0 HG LEU B 5 4.952 2.312 13.328 1.00 4.32 H new ATOM 0 HD11 LEU B 5 6.639 4.053 12.794 1.00 5.10 H new ATOM 0 HD12 LEU B 5 7.417 2.473 13.046 1.00 5.10 H new ATOM 0 HD13 LEU B 5 7.185 3.097 11.396 1.00 5.10 H new ATOM 0 HD21 LEU B 5 4.343 4.168 11.798 1.00 5.08 H new ATOM 0 HD22 LEU B 5 4.911 3.212 10.409 1.00 5.08 H new ATOM 0 HD23 LEU B 5 3.497 2.670 11.344 1.00 5.08 H new ATOM 1245 N ARG B 6 3.707 -1.873 11.693 1.00 1.26 N ATOM 1246 CA ARG B 6 3.593 -3.218 11.053 1.00 0.80 C ATOM 1247 C ARG B 6 3.555 -3.085 9.529 1.00 0.64 C ATOM 1248 O ARG B 6 3.152 -2.068 8.999 1.00 0.62 O ATOM 1249 CB ARG B 6 2.307 -3.910 11.524 1.00 1.42 C ATOM 1250 CG ARG B 6 1.966 -3.478 12.957 1.00 1.65 C ATOM 1251 CD ARG B 6 3.120 -3.846 13.888 1.00 2.03 C ATOM 1252 NE ARG B 6 2.616 -3.871 15.290 1.00 2.55 N ATOM 1253 CZ ARG B 6 2.493 -5.014 15.907 1.00 3.09 C ATOM 1254 NH1 ARG B 6 3.513 -5.484 16.570 1.00 3.67 N ATOM 1255 NH2 ARG B 6 1.354 -5.649 15.840 1.00 3.44 N ATOM 0 H ARG B 6 2.830 -1.363 11.803 1.00 1.26 H new ATOM 0 HA ARG B 6 4.462 -3.810 11.341 1.00 0.80 H new ATOM 0 HB2 ARG B 6 1.484 -3.658 10.855 1.00 1.42 H new ATOM 0 HB3 ARG B 6 2.432 -4.992 11.483 1.00 1.42 H new ATOM 0 HG2 ARG B 6 1.786 -2.404 12.991 1.00 1.65 H new ATOM 0 HG3 ARG B 6 1.049 -3.966 13.287 1.00 1.65 H new ATOM 0 HD2 ARG B 6 3.529 -4.819 13.616 1.00 2.03 H new ATOM 0 HD3 ARG B 6 3.929 -3.122 13.791 1.00 2.03 H new ATOM 0 HE ARG B 6 2.369 -3.002 15.763 1.00 2.55 H new ATOM 0 HH11 ARG B 6 4.387 -4.960 16.600 1.00 3.67 H new ATOM 0 HH12 ARG B 6 3.436 -6.376 17.059 1.00 3.67 H new ATOM 0 HH21 ARG B 6 0.578 -5.250 15.311 1.00 3.44 H new ATOM 0 HH22 ARG B 6 1.240 -6.544 16.316 1.00 3.44 H new ATOM 1269 N CYS B 7 3.973 -4.125 8.855 1.00 0.57 N ATOM 1270 CA CYS B 7 3.961 -4.088 7.364 1.00 0.44 C ATOM 1271 C CYS B 7 2.524 -3.926 6.859 1.00 0.41 C ATOM 1272 O CYS B 7 1.584 -4.258 7.553 1.00 0.48 O ATOM 1273 CB CYS B 7 4.535 -5.400 6.829 1.00 0.45 C ATOM 1274 SG CYS B 7 6.334 -5.576 6.800 1.00 0.50 S ATOM 0 H CYS B 7 4.319 -4.991 9.269 1.00 0.57 H new ATOM 0 HA CYS B 7 4.561 -3.247 7.018 1.00 0.44 H new ATOM 0 HB2 CYS B 7 4.127 -6.214 7.428 1.00 0.45 H new ATOM 0 HB3 CYS B 7 4.167 -5.538 5.812 1.00 0.45 H new ATOM 1279 N GLN B 8 2.378 -3.419 5.665 1.00 0.35 N ATOM 1280 CA GLN B 8 1.001 -3.253 5.116 1.00 0.39 C ATOM 1281 C GLN B 8 0.345 -4.627 4.958 1.00 0.38 C ATOM 1282 O GLN B 8 -0.864 -4.748 5.017 1.00 0.45 O ATOM 1283 CB GLN B 8 1.076 -2.557 3.755 1.00 0.38 C ATOM 1284 CG GLN B 8 1.236 -1.047 3.965 1.00 0.45 C ATOM 1285 CD GLN B 8 -0.130 -0.369 3.830 1.00 0.78 C ATOM 1286 OE1 GLN B 8 -0.720 -0.360 2.667 1.00 1.49 O flip ATOM 1287 NE2 GLN B 8 -0.670 0.158 4.782 1.00 1.36 N flip ATOM 0 H GLN B 8 3.137 -3.117 5.055 1.00 0.35 H new ATOM 0 HA GLN B 8 0.406 -2.647 5.799 1.00 0.39 H new ATOM 0 HB2 GLN B 8 1.916 -2.947 3.180 1.00 0.38 H new ATOM 0 HB3 GLN B 8 0.174 -2.762 3.179 1.00 0.38 H new ATOM 0 HG2 GLN B 8 1.658 -0.848 4.950 1.00 0.45 H new ATOM 0 HG3 GLN B 8 1.932 -0.638 3.232 1.00 0.45 H new ATOM 0 HE21 GLN B 8 -0.213 0.154 5.694 1.00 1.36 H new ATOM 0 HE22 GLN B 8 -1.580 0.604 4.669 1.00 1.36 H new ATOM 1296 N CYS B 9 1.163 -5.630 4.756 1.00 0.34 N ATOM 1297 CA CYS B 9 0.622 -7.017 4.591 1.00 0.38 C ATOM 1298 C CYS B 9 1.216 -7.948 5.652 1.00 0.34 C ATOM 1299 O CYS B 9 2.392 -8.256 5.623 1.00 0.44 O ATOM 1300 CB CYS B 9 0.992 -7.531 3.204 1.00 0.49 C ATOM 1301 SG CYS B 9 0.085 -6.847 1.800 1.00 0.78 S ATOM 0 H CYS B 9 2.178 -5.550 4.698 1.00 0.34 H new ATOM 0 HA CYS B 9 -0.462 -6.996 4.708 1.00 0.38 H new ATOM 0 HB2 CYS B 9 2.053 -7.340 3.045 1.00 0.49 H new ATOM 0 HB3 CYS B 9 0.858 -8.613 3.198 1.00 0.49 H new ATOM 1306 N ILE B 10 0.390 -8.376 6.567 1.00 0.44 N ATOM 1307 CA ILE B 10 0.890 -9.296 7.632 1.00 0.57 C ATOM 1308 C ILE B 10 0.688 -10.753 7.201 1.00 0.53 C ATOM 1309 O ILE B 10 1.483 -11.614 7.527 1.00 0.69 O ATOM 1310 CB ILE B 10 0.118 -9.033 8.925 1.00 0.78 C ATOM 1311 CG1 ILE B 10 0.080 -7.525 9.189 1.00 0.86 C ATOM 1312 CG2 ILE B 10 0.826 -9.730 10.087 1.00 0.97 C ATOM 1313 CD1 ILE B 10 -0.641 -7.265 10.514 1.00 1.23 C ATOM 0 H ILE B 10 -0.599 -8.133 6.625 1.00 0.44 H new ATOM 0 HA ILE B 10 1.953 -9.118 7.794 1.00 0.57 H new ATOM 0 HB ILE B 10 -0.898 -9.417 8.832 1.00 0.78 H new ATOM 0 HG12 ILE B 10 1.093 -7.125 9.228 1.00 0.86 H new ATOM 0 HG13 ILE B 10 -0.434 -7.014 8.375 1.00 0.86 H new ATOM 0 HG21 ILE B 10 0.278 -9.544 11.011 1.00 0.97 H new ATOM 0 HG22 ILE B 10 0.866 -10.803 9.898 1.00 0.97 H new ATOM 0 HG23 ILE B 10 1.840 -9.340 10.182 1.00 0.97 H new ATOM 0 HD11 ILE B 10 -0.671 -6.193 10.707 1.00 1.23 H new ATOM 0 HD12 ILE B 10 -1.658 -7.652 10.457 1.00 1.23 H new ATOM 0 HD13 ILE B 10 -0.108 -7.765 11.323 1.00 1.23 H new ATOM 1325 N LYS B 11 -0.377 -10.989 6.476 1.00 0.49 N ATOM 1326 CA LYS B 11 -0.664 -12.379 5.997 1.00 0.47 C ATOM 1327 C LYS B 11 -0.695 -12.404 4.465 1.00 0.42 C ATOM 1328 O LYS B 11 -0.605 -11.374 3.827 1.00 0.61 O ATOM 1329 CB LYS B 11 -2.021 -12.824 6.541 1.00 0.55 C ATOM 1330 CG LYS B 11 -1.838 -14.103 7.360 1.00 1.40 C ATOM 1331 CD LYS B 11 -3.183 -14.508 7.965 1.00 1.86 C ATOM 1332 CE LYS B 11 -3.212 -16.025 8.155 1.00 2.62 C ATOM 1333 NZ LYS B 11 -4.122 -16.393 9.275 1.00 3.10 N ATOM 0 H LYS B 11 -1.058 -10.284 6.195 1.00 0.49 H new ATOM 0 HA LYS B 11 0.116 -13.054 6.349 1.00 0.47 H new ATOM 0 HB2 LYS B 11 -2.453 -12.039 7.162 1.00 0.55 H new ATOM 0 HB3 LYS B 11 -2.716 -13.000 5.720 1.00 0.55 H new ATOM 0 HG2 LYS B 11 -1.455 -14.903 6.727 1.00 1.40 H new ATOM 0 HG3 LYS B 11 -1.104 -13.942 8.150 1.00 1.40 H new ATOM 0 HD2 LYS B 11 -3.331 -14.007 8.922 1.00 1.86 H new ATOM 0 HD3 LYS B 11 -3.998 -14.196 7.312 1.00 1.86 H new ATOM 0 HE2 LYS B 11 -3.545 -16.506 7.235 1.00 2.62 H new ATOM 0 HE3 LYS B 11 -2.206 -16.391 8.361 1.00 2.62 H new ATOM 0 HZ1 LYS B 11 -4.130 -17.427 9.390 1.00 3.10 H new ATOM 0 HZ2 LYS B 11 -3.788 -15.949 10.154 1.00 3.10 H new ATOM 0 HZ3 LYS B 11 -5.085 -16.061 9.064 1.00 3.10 H new ATOM 1347 N THR B 12 -0.823 -13.583 3.908 1.00 0.38 N ATOM 1348 CA THR B 12 -0.860 -13.694 2.415 1.00 0.33 C ATOM 1349 C THR B 12 -1.959 -14.673 1.981 1.00 0.32 C ATOM 1350 O THR B 12 -2.644 -15.248 2.804 1.00 0.37 O ATOM 1351 CB THR B 12 0.498 -14.197 1.914 1.00 0.35 C ATOM 1352 OG1 THR B 12 0.796 -15.322 2.734 1.00 0.40 O ATOM 1353 CG2 THR B 12 1.609 -13.186 2.194 1.00 0.40 C ATOM 0 H THR B 12 -0.903 -14.465 4.415 1.00 0.38 H new ATOM 0 HA THR B 12 -1.074 -12.714 1.990 1.00 0.33 H new ATOM 0 HB THR B 12 0.449 -14.394 0.843 1.00 0.35 H new ATOM 0 HG1 THR B 12 1.659 -15.701 2.468 1.00 0.40 H new ATOM 0 HG21 THR B 12 2.558 -13.576 1.825 1.00 0.40 H new ATOM 0 HG22 THR B 12 1.382 -12.247 1.689 1.00 0.40 H new ATOM 0 HG23 THR B 12 1.681 -13.013 3.268 1.00 0.40 H new ATOM 1361 N TYR B 13 -2.096 -14.837 0.692 1.00 0.30 N ATOM 1362 CA TYR B 13 -3.146 -15.764 0.169 1.00 0.31 C ATOM 1363 C TYR B 13 -2.514 -17.102 -0.242 1.00 0.32 C ATOM 1364 O TYR B 13 -1.656 -17.148 -1.101 1.00 0.49 O ATOM 1365 CB TYR B 13 -3.809 -15.109 -1.048 1.00 0.33 C ATOM 1366 CG TYR B 13 -5.298 -15.475 -1.100 1.00 0.36 C ATOM 1367 CD1 TYR B 13 -6.145 -15.128 -0.066 1.00 0.41 C ATOM 1368 CD2 TYR B 13 -5.814 -16.155 -2.187 1.00 0.38 C ATOM 1369 CE1 TYR B 13 -7.484 -15.458 -0.118 1.00 0.47 C ATOM 1370 CE2 TYR B 13 -7.154 -16.481 -2.237 1.00 0.43 C ATOM 1371 CZ TYR B 13 -7.999 -16.137 -1.202 1.00 0.47 C ATOM 1372 OH TYR B 13 -9.337 -16.465 -1.252 1.00 0.54 O ATOM 0 H TYR B 13 -1.531 -14.373 -0.019 1.00 0.30 H new ATOM 0 HA TYR B 13 -3.888 -15.956 0.944 1.00 0.31 H new ATOM 0 HB2 TYR B 13 -3.695 -14.026 -0.995 1.00 0.33 H new ATOM 0 HB3 TYR B 13 -3.314 -15.437 -1.962 1.00 0.33 H new ATOM 0 HD1 TYR B 13 -5.757 -14.595 0.789 1.00 0.41 H new ATOM 0 HD2 TYR B 13 -5.164 -16.433 -3.003 1.00 0.38 H new ATOM 0 HE1 TYR B 13 -8.135 -15.182 0.698 1.00 0.47 H new ATOM 0 HE2 TYR B 13 -7.545 -17.010 -3.094 1.00 0.43 H new ATOM 0 HH TYR B 13 -9.526 -16.940 -2.088 1.00 0.54 H new ATOM 1382 N SER B 14 -2.957 -18.161 0.384 1.00 0.33 N ATOM 1383 CA SER B 14 -2.394 -19.506 0.049 1.00 0.33 C ATOM 1384 C SER B 14 -3.326 -20.254 -0.913 1.00 0.34 C ATOM 1385 O SER B 14 -3.499 -21.452 -0.809 1.00 0.40 O ATOM 1386 CB SER B 14 -2.237 -20.316 1.335 1.00 0.36 C ATOM 1387 OG SER B 14 -3.571 -20.584 1.741 1.00 0.40 O ATOM 0 H SER B 14 -3.677 -18.156 1.106 1.00 0.33 H new ATOM 0 HA SER B 14 -1.425 -19.376 -0.433 1.00 0.33 H new ATOM 0 HB2 SER B 14 -1.681 -21.237 1.160 1.00 0.36 H new ATOM 0 HB3 SER B 14 -1.694 -19.755 2.096 1.00 0.36 H new ATOM 0 HG SER B 14 -3.562 -21.108 2.569 1.00 0.40 H new ATOM 1393 N LYS B 15 -3.908 -19.525 -1.827 1.00 0.34 N ATOM 1394 CA LYS B 15 -4.830 -20.168 -2.810 1.00 0.37 C ATOM 1395 C LYS B 15 -4.665 -19.487 -4.204 1.00 0.34 C ATOM 1396 O LYS B 15 -5.161 -18.397 -4.409 1.00 0.33 O ATOM 1397 CB LYS B 15 -6.271 -19.982 -2.326 1.00 0.41 C ATOM 1398 CG LYS B 15 -7.057 -21.272 -2.587 1.00 0.98 C ATOM 1399 CD LYS B 15 -8.529 -21.066 -2.197 1.00 1.30 C ATOM 1400 CE LYS B 15 -8.709 -21.368 -0.706 1.00 1.88 C ATOM 1401 NZ LYS B 15 -9.099 -22.792 -0.506 1.00 2.64 N ATOM 0 H LYS B 15 -3.787 -18.518 -1.936 1.00 0.34 H new ATOM 0 HA LYS B 15 -4.596 -21.229 -2.897 1.00 0.37 H new ATOM 0 HB2 LYS B 15 -6.283 -19.743 -1.263 1.00 0.41 H new ATOM 0 HB3 LYS B 15 -6.738 -19.145 -2.846 1.00 0.41 H new ATOM 0 HG2 LYS B 15 -6.984 -21.548 -3.639 1.00 0.98 H new ATOM 0 HG3 LYS B 15 -6.629 -22.093 -2.012 1.00 0.98 H new ATOM 0 HD2 LYS B 15 -8.833 -20.041 -2.411 1.00 1.30 H new ATOM 0 HD3 LYS B 15 -9.169 -21.719 -2.791 1.00 1.30 H new ATOM 0 HE2 LYS B 15 -7.782 -21.160 -0.172 1.00 1.88 H new ATOM 0 HE3 LYS B 15 -9.472 -20.713 -0.286 1.00 1.88 H new ATOM 0 HZ1 LYS B 15 -9.217 -22.980 0.510 1.00 2.64 H new ATOM 0 HZ2 LYS B 15 -9.995 -22.979 -0.999 1.00 2.64 H new ATOM 0 HZ3 LYS B 15 -8.357 -23.412 -0.889 1.00 2.64 H new ATOM 1415 N PRO B 16 -3.961 -20.132 -5.140 1.00 0.36 N ATOM 1416 CA PRO B 16 -3.749 -19.537 -6.470 1.00 0.36 C ATOM 1417 C PRO B 16 -5.081 -19.252 -7.177 1.00 0.36 C ATOM 1418 O PRO B 16 -6.021 -20.014 -7.068 1.00 0.42 O ATOM 1419 CB PRO B 16 -2.929 -20.567 -7.254 1.00 0.42 C ATOM 1420 CG PRO B 16 -2.564 -21.716 -6.267 1.00 0.44 C ATOM 1421 CD PRO B 16 -3.335 -21.460 -4.961 1.00 0.41 C ATOM 0 HA PRO B 16 -3.236 -18.578 -6.396 1.00 0.36 H new ATOM 0 HB2 PRO B 16 -3.501 -20.952 -8.098 1.00 0.42 H new ATOM 0 HB3 PRO B 16 -2.028 -20.110 -7.662 1.00 0.42 H new ATOM 0 HG2 PRO B 16 -2.833 -22.685 -6.688 1.00 0.44 H new ATOM 0 HG3 PRO B 16 -1.490 -21.736 -6.081 1.00 0.44 H new ATOM 0 HD2 PRO B 16 -4.086 -22.231 -4.789 1.00 0.41 H new ATOM 0 HD3 PRO B 16 -2.667 -21.468 -4.100 1.00 0.41 H new ATOM 1429 N PHE B 17 -5.122 -18.151 -7.887 1.00 0.35 N ATOM 1430 CA PHE B 17 -6.375 -17.784 -8.614 1.00 0.35 C ATOM 1431 C PHE B 17 -6.044 -17.240 -10.011 1.00 0.37 C ATOM 1432 O PHE B 17 -4.929 -17.360 -10.481 1.00 0.61 O ATOM 1433 CB PHE B 17 -7.129 -16.720 -7.814 1.00 0.35 C ATOM 1434 CG PHE B 17 -6.193 -15.548 -7.518 1.00 0.36 C ATOM 1435 CD1 PHE B 17 -6.085 -14.492 -8.407 1.00 0.63 C ATOM 1436 CD2 PHE B 17 -5.441 -15.530 -6.357 1.00 0.31 C ATOM 1437 CE1 PHE B 17 -5.240 -13.441 -8.139 1.00 0.75 C ATOM 1438 CE2 PHE B 17 -4.596 -14.472 -6.091 1.00 0.32 C ATOM 1439 CZ PHE B 17 -4.495 -13.429 -6.983 1.00 0.56 C ATOM 0 H PHE B 17 -4.348 -17.496 -7.994 1.00 0.35 H new ATOM 0 HA PHE B 17 -6.996 -18.673 -8.724 1.00 0.35 H new ATOM 0 HB2 PHE B 17 -7.996 -16.374 -8.376 1.00 0.35 H new ATOM 0 HB3 PHE B 17 -7.502 -17.146 -6.883 1.00 0.35 H new ATOM 0 HD1 PHE B 17 -6.668 -14.494 -9.316 1.00 0.63 H new ATOM 0 HD2 PHE B 17 -5.516 -16.348 -5.656 1.00 0.31 H new ATOM 0 HE1 PHE B 17 -5.161 -12.622 -8.839 1.00 0.75 H new ATOM 0 HE2 PHE B 17 -4.013 -14.462 -5.182 1.00 0.32 H new ATOM 0 HZ PHE B 17 -3.832 -12.602 -6.776 1.00 0.56 H new ATOM 1449 N HIS B 18 -7.030 -16.653 -10.636 1.00 0.32 N ATOM 1450 CA HIS B 18 -6.831 -16.099 -12.015 1.00 0.28 C ATOM 1451 C HIS B 18 -7.002 -14.550 -11.998 1.00 0.25 C ATOM 1452 O HIS B 18 -7.861 -14.046 -11.300 1.00 0.27 O ATOM 1453 CB HIS B 18 -7.913 -16.714 -12.903 1.00 0.33 C ATOM 1454 CG HIS B 18 -7.610 -16.424 -14.360 1.00 0.33 C ATOM 1455 ND1 HIS B 18 -7.792 -15.256 -14.943 1.00 0.30 N ATOM 1456 CD2 HIS B 18 -7.103 -17.271 -15.335 1.00 0.39 C ATOM 1457 CE1 HIS B 18 -7.438 -15.357 -16.181 1.00 0.35 C ATOM 1458 NE2 HIS B 18 -7.031 -16.549 -16.410 1.00 0.39 N ATOM 0 H HIS B 18 -7.968 -16.531 -10.253 1.00 0.32 H new ATOM 0 HA HIS B 18 -5.832 -16.333 -12.383 1.00 0.28 H new ATOM 0 HB2 HIS B 18 -7.961 -17.791 -12.740 1.00 0.33 H new ATOM 0 HB3 HIS B 18 -8.889 -16.307 -12.637 1.00 0.33 H new ATOM 0 HD2 HIS B 18 -6.827 -18.309 -15.223 1.00 0.39 H new ATOM 0 HE1 HIS B 18 -7.479 -14.560 -16.909 1.00 0.35 H new ATOM 0 HE2 HIS B 18 -6.696 -16.885 -17.313 1.00 0.39 H new ATOM 1466 N PRO B 19 -6.188 -13.809 -12.767 1.00 0.24 N ATOM 1467 CA PRO B 19 -6.313 -12.343 -12.804 1.00 0.25 C ATOM 1468 C PRO B 19 -7.739 -11.915 -13.192 1.00 0.28 C ATOM 1469 O PRO B 19 -8.095 -10.760 -13.068 1.00 0.32 O ATOM 1470 CB PRO B 19 -5.307 -11.873 -13.861 1.00 0.29 C ATOM 1471 CG PRO B 19 -4.560 -13.132 -14.389 1.00 0.30 C ATOM 1472 CD PRO B 19 -5.102 -14.348 -13.618 1.00 0.27 C ATOM 0 HA PRO B 19 -6.115 -11.904 -11.826 1.00 0.25 H new ATOM 0 HB2 PRO B 19 -5.818 -11.361 -14.676 1.00 0.29 H new ATOM 0 HB3 PRO B 19 -4.602 -11.162 -13.430 1.00 0.29 H new ATOM 0 HG2 PRO B 19 -4.723 -13.253 -15.460 1.00 0.30 H new ATOM 0 HG3 PRO B 19 -3.485 -13.031 -14.239 1.00 0.30 H new ATOM 0 HD2 PRO B 19 -5.477 -15.112 -14.299 1.00 0.27 H new ATOM 0 HD3 PRO B 19 -4.322 -14.813 -13.015 1.00 0.27 H new ATOM 1480 N LYS B 20 -8.520 -12.852 -13.656 1.00 0.28 N ATOM 1481 CA LYS B 20 -9.925 -12.514 -14.048 1.00 0.32 C ATOM 1482 C LYS B 20 -10.627 -11.787 -12.896 1.00 0.32 C ATOM 1483 O LYS B 20 -11.490 -10.961 -13.111 1.00 0.48 O ATOM 1484 CB LYS B 20 -10.676 -13.807 -14.355 1.00 0.39 C ATOM 1485 CG LYS B 20 -11.568 -13.630 -15.593 1.00 0.59 C ATOM 1486 CD LYS B 20 -12.160 -14.997 -15.987 1.00 0.58 C ATOM 1487 CE LYS B 20 -13.268 -15.404 -15.000 1.00 0.60 C ATOM 1488 NZ LYS B 20 -14.557 -15.599 -15.719 1.00 1.45 N ATOM 0 H LYS B 20 -8.253 -13.828 -13.781 1.00 0.28 H new ATOM 0 HA LYS B 20 -9.912 -11.868 -14.926 1.00 0.32 H new ATOM 0 HB2 LYS B 20 -9.965 -14.616 -14.524 1.00 0.39 H new ATOM 0 HB3 LYS B 20 -11.286 -14.093 -13.498 1.00 0.39 H new ATOM 0 HG2 LYS B 20 -12.368 -12.920 -15.382 1.00 0.59 H new ATOM 0 HG3 LYS B 20 -10.988 -13.219 -16.419 1.00 0.59 H new ATOM 0 HD2 LYS B 20 -12.564 -14.948 -16.998 1.00 0.58 H new ATOM 0 HD3 LYS B 20 -11.374 -15.753 -15.994 1.00 0.58 H new ATOM 0 HE2 LYS B 20 -12.987 -16.324 -14.487 1.00 0.60 H new ATOM 0 HE3 LYS B 20 -13.383 -14.636 -14.236 1.00 0.60 H new ATOM 0 HZ1 LYS B 20 -15.295 -15.873 -15.040 1.00 1.45 H new ATOM 0 HZ2 LYS B 20 -14.830 -14.712 -16.188 1.00 1.45 H new ATOM 0 HZ3 LYS B 20 -14.447 -16.348 -16.432 1.00 1.45 H new ATOM 1502 N PHE B 21 -10.233 -12.117 -11.699 1.00 0.29 N ATOM 1503 CA PHE B 21 -10.859 -11.470 -10.506 1.00 0.29 C ATOM 1504 C PHE B 21 -10.081 -10.212 -10.104 1.00 0.25 C ATOM 1505 O PHE B 21 -10.536 -9.427 -9.293 1.00 0.36 O ATOM 1506 CB PHE B 21 -10.836 -12.465 -9.349 1.00 0.36 C ATOM 1507 CG PHE B 21 -11.699 -13.674 -9.707 1.00 0.38 C ATOM 1508 CD1 PHE B 21 -13.080 -13.578 -9.713 1.00 0.47 C ATOM 1509 CD2 PHE B 21 -11.109 -14.884 -10.031 1.00 0.38 C ATOM 1510 CE1 PHE B 21 -13.855 -14.672 -10.036 1.00 0.55 C ATOM 1511 CE2 PHE B 21 -11.887 -15.977 -10.355 1.00 0.44 C ATOM 1512 CZ PHE B 21 -13.259 -15.870 -10.358 1.00 0.51 C ATOM 0 H PHE B 21 -9.508 -12.804 -11.492 1.00 0.29 H new ATOM 0 HA PHE B 21 -11.882 -11.183 -10.747 1.00 0.29 H new ATOM 0 HB2 PHE B 21 -9.813 -12.781 -9.146 1.00 0.36 H new ATOM 0 HB3 PHE B 21 -11.210 -11.993 -8.440 1.00 0.36 H new ATOM 0 HD1 PHE B 21 -13.554 -12.640 -9.463 1.00 0.47 H new ATOM 0 HD2 PHE B 21 -10.033 -14.973 -10.030 1.00 0.38 H new ATOM 0 HE1 PHE B 21 -14.932 -14.588 -10.036 1.00 0.55 H new ATOM 0 HE2 PHE B 21 -11.419 -16.917 -10.606 1.00 0.44 H new ATOM 0 HZ PHE B 21 -13.867 -16.725 -10.613 1.00 0.51 H new ATOM 1522 N ILE B 22 -8.928 -10.048 -10.682 1.00 0.30 N ATOM 1523 CA ILE B 22 -8.090 -8.860 -10.338 1.00 0.24 C ATOM 1524 C ILE B 22 -8.382 -7.703 -11.297 1.00 0.24 C ATOM 1525 O ILE B 22 -8.352 -7.866 -12.501 1.00 0.28 O ATOM 1526 CB ILE B 22 -6.591 -9.240 -10.443 1.00 0.29 C ATOM 1527 CG1 ILE B 22 -6.193 -10.290 -9.361 1.00 0.41 C ATOM 1528 CG2 ILE B 22 -5.741 -7.974 -10.270 1.00 0.26 C ATOM 1529 CD1 ILE B 22 -7.034 -10.937 -8.252 1.00 1.12 C ATOM 0 H ILE B 22 -8.527 -10.679 -11.375 1.00 0.30 H new ATOM 0 HA ILE B 22 -8.327 -8.547 -9.321 1.00 0.24 H new ATOM 0 HB ILE B 22 -6.414 -9.684 -11.422 1.00 0.29 H new ATOM 0 HG12 ILE B 22 -5.797 -11.131 -9.930 1.00 0.41 H new ATOM 0 HG13 ILE B 22 -5.352 -9.836 -8.836 1.00 0.41 H new ATOM 0 HG21 ILE B 22 -4.685 -8.232 -10.342 1.00 0.26 H new ATOM 0 HG22 ILE B 22 -5.994 -7.257 -11.051 1.00 0.26 H new ATOM 0 HG23 ILE B 22 -5.940 -7.533 -9.294 1.00 0.26 H new ATOM 0 HD11 ILE B 22 -6.414 -11.630 -7.683 1.00 1.12 H new ATOM 0 HD12 ILE B 22 -7.417 -10.163 -7.587 1.00 1.12 H new ATOM 0 HD13 ILE B 22 -7.869 -11.478 -8.697 1.00 1.12 H new ATOM 1541 N LYS B 23 -8.658 -6.558 -10.724 1.00 0.23 N ATOM 1542 CA LYS B 23 -8.942 -5.355 -11.547 1.00 0.26 C ATOM 1543 C LYS B 23 -7.932 -4.257 -11.218 1.00 0.22 C ATOM 1544 O LYS B 23 -7.656 -3.400 -12.035 1.00 0.24 O ATOM 1545 CB LYS B 23 -10.348 -4.849 -11.238 1.00 0.32 C ATOM 1546 CG LYS B 23 -11.371 -5.685 -12.012 1.00 0.35 C ATOM 1547 CD LYS B 23 -11.624 -5.049 -13.382 1.00 0.80 C ATOM 1548 CE LYS B 23 -12.697 -5.855 -14.116 1.00 0.96 C ATOM 1549 NZ LYS B 23 -12.315 -6.058 -15.540 1.00 1.58 N ATOM 0 H LYS B 23 -8.698 -6.410 -9.716 1.00 0.23 H new ATOM 0 HA LYS B 23 -8.867 -5.616 -12.603 1.00 0.26 H new ATOM 0 HB2 LYS B 23 -10.543 -4.915 -10.168 1.00 0.32 H new ATOM 0 HB3 LYS B 23 -10.437 -3.798 -11.514 1.00 0.32 H new ATOM 0 HG2 LYS B 23 -11.004 -6.704 -12.135 1.00 0.35 H new ATOM 0 HG3 LYS B 23 -12.304 -5.747 -11.451 1.00 0.35 H new ATOM 0 HD2 LYS B 23 -11.946 -4.015 -13.263 1.00 0.80 H new ATOM 0 HD3 LYS B 23 -10.703 -5.031 -13.964 1.00 0.80 H new ATOM 0 HE2 LYS B 23 -12.832 -6.821 -13.628 1.00 0.96 H new ATOM 0 HE3 LYS B 23 -13.653 -5.334 -14.061 1.00 0.96 H new ATOM 0 HZ1 LYS B 23 -13.055 -6.607 -16.023 1.00 1.58 H new ATOM 0 HZ2 LYS B 23 -12.209 -5.134 -16.006 1.00 1.58 H new ATOM 0 HZ3 LYS B 23 -11.414 -6.575 -15.587 1.00 1.58 H new ATOM 1563 N GLU B 24 -7.399 -4.308 -10.020 1.00 0.19 N ATOM 1564 CA GLU B 24 -6.399 -3.268 -9.613 1.00 0.19 C ATOM 1565 C GLU B 24 -5.211 -3.917 -8.890 1.00 0.18 C ATOM 1566 O GLU B 24 -5.390 -4.746 -8.020 1.00 0.24 O ATOM 1567 CB GLU B 24 -7.073 -2.265 -8.681 1.00 0.22 C ATOM 1568 CG GLU B 24 -5.997 -1.470 -7.937 1.00 0.24 C ATOM 1569 CD GLU B 24 -6.598 -0.160 -7.422 1.00 0.57 C ATOM 1570 OE1 GLU B 24 -7.646 -0.253 -6.803 1.00 1.47 O ATOM 1571 OE2 GLU B 24 -5.976 0.857 -7.677 1.00 1.28 O ATOM 0 H GLU B 24 -7.609 -5.014 -9.315 1.00 0.19 H new ATOM 0 HA GLU B 24 -6.030 -2.762 -10.505 1.00 0.19 H new ATOM 0 HB2 GLU B 24 -7.711 -1.591 -9.252 1.00 0.22 H new ATOM 0 HB3 GLU B 24 -7.715 -2.785 -7.970 1.00 0.22 H new ATOM 0 HG2 GLU B 24 -5.607 -2.056 -7.105 1.00 0.24 H new ATOM 0 HG3 GLU B 24 -5.158 -1.262 -8.601 1.00 0.24 H new ATOM 1578 N LEU B 25 -4.023 -3.517 -9.273 1.00 0.18 N ATOM 1579 CA LEU B 25 -2.800 -4.085 -8.627 1.00 0.19 C ATOM 1580 C LEU B 25 -2.131 -3.027 -7.744 1.00 0.19 C ATOM 1581 O LEU B 25 -2.201 -1.847 -8.026 1.00 0.22 O ATOM 1582 CB LEU B 25 -1.820 -4.526 -9.714 1.00 0.24 C ATOM 1583 CG LEU B 25 -0.803 -5.499 -9.115 1.00 0.27 C ATOM 1584 CD1 LEU B 25 -1.311 -6.932 -9.292 1.00 0.36 C ATOM 1585 CD2 LEU B 25 0.531 -5.345 -9.845 1.00 0.39 C ATOM 0 H LEU B 25 -3.848 -2.825 -10.002 1.00 0.18 H new ATOM 0 HA LEU B 25 -3.083 -4.937 -8.009 1.00 0.19 H new ATOM 0 HB2 LEU B 25 -2.358 -5.003 -10.533 1.00 0.24 H new ATOM 0 HB3 LEU B 25 -1.308 -3.659 -10.132 1.00 0.24 H new ATOM 0 HG LEU B 25 -0.670 -5.284 -8.055 1.00 0.27 H new ATOM 0 HD11 LEU B 25 -0.589 -7.629 -8.866 1.00 0.36 H new ATOM 0 HD12 LEU B 25 -2.268 -7.044 -8.782 1.00 0.36 H new ATOM 0 HD13 LEU B 25 -1.438 -7.144 -10.354 1.00 0.36 H new ATOM 0 HD21 LEU B 25 1.259 -6.037 -9.422 1.00 0.39 H new ATOM 0 HD22 LEU B 25 0.394 -5.565 -10.904 1.00 0.39 H new ATOM 0 HD23 LEU B 25 0.892 -4.323 -9.731 1.00 0.39 H new ATOM 1597 N ARG B 26 -1.495 -3.472 -6.692 1.00 0.19 N ATOM 1598 CA ARG B 26 -0.818 -2.502 -5.781 1.00 0.22 C ATOM 1599 C ARG B 26 0.484 -3.102 -5.240 1.00 0.23 C ATOM 1600 O ARG B 26 0.476 -4.159 -4.641 1.00 0.38 O ATOM 1601 CB ARG B 26 -1.748 -2.179 -4.622 1.00 0.28 C ATOM 1602 CG ARG B 26 -2.515 -0.889 -4.927 1.00 0.43 C ATOM 1603 CD ARG B 26 -3.773 -0.831 -4.057 1.00 0.51 C ATOM 1604 NE ARG B 26 -3.370 -0.788 -2.623 1.00 1.21 N ATOM 1605 CZ ARG B 26 -4.112 -0.137 -1.770 1.00 1.38 C ATOM 1606 NH1 ARG B 26 -5.407 -0.291 -1.815 1.00 1.95 N ATOM 1607 NH2 ARG B 26 -3.534 0.646 -0.900 1.00 1.61 N ATOM 0 H ARG B 26 -1.415 -4.453 -6.426 1.00 0.19 H new ATOM 0 HA ARG B 26 -0.582 -1.593 -6.335 1.00 0.22 H new ATOM 0 HB2 ARG B 26 -2.446 -3.001 -4.462 1.00 0.28 H new ATOM 0 HB3 ARG B 26 -1.174 -2.065 -3.702 1.00 0.28 H new ATOM 0 HG2 ARG B 26 -1.884 -0.022 -4.732 1.00 0.43 H new ATOM 0 HG3 ARG B 26 -2.787 -0.855 -5.982 1.00 0.43 H new ATOM 0 HD2 ARG B 26 -4.364 0.050 -4.308 1.00 0.51 H new ATOM 0 HD3 ARG B 26 -4.401 -1.701 -4.245 1.00 0.51 H new ATOM 0 HE ARG B 26 -2.523 -1.263 -2.312 1.00 1.21 H new ATOM 0 HH11 ARG B 26 -5.823 -0.912 -2.509 1.00 1.95 H new ATOM 0 HH12 ARG B 26 -6.003 0.210 -1.156 1.00 1.95 H new ATOM 0 HH21 ARG B 26 -2.518 0.741 -0.895 1.00 1.61 H new ATOM 0 HH22 ARG B 26 -4.098 1.163 -0.225 1.00 1.61 H new ATOM 1621 N VAL B 27 1.573 -2.410 -5.469 1.00 0.23 N ATOM 1622 CA VAL B 27 2.896 -2.913 -4.977 1.00 0.23 C ATOM 1623 C VAL B 27 3.554 -1.867 -4.073 1.00 0.25 C ATOM 1624 O VAL B 27 3.769 -0.742 -4.480 1.00 0.36 O ATOM 1625 CB VAL B 27 3.805 -3.189 -6.175 1.00 0.25 C ATOM 1626 CG1 VAL B 27 5.078 -3.886 -5.692 1.00 0.30 C ATOM 1627 CG2 VAL B 27 3.075 -4.102 -7.162 1.00 0.27 C ATOM 0 H VAL B 27 1.605 -1.523 -5.972 1.00 0.23 H new ATOM 0 HA VAL B 27 2.741 -3.829 -4.407 1.00 0.23 H new ATOM 0 HB VAL B 27 4.063 -2.250 -6.664 1.00 0.25 H new ATOM 0 HG11 VAL B 27 5.729 -4.085 -6.543 1.00 0.30 H new ATOM 0 HG12 VAL B 27 5.597 -3.244 -4.980 1.00 0.30 H new ATOM 0 HG13 VAL B 27 4.816 -4.827 -5.208 1.00 0.30 H new ATOM 0 HG21 VAL B 27 3.720 -4.302 -8.018 1.00 0.27 H new ATOM 0 HG22 VAL B 27 2.823 -5.042 -6.670 1.00 0.27 H new ATOM 0 HG23 VAL B 27 2.161 -3.614 -7.502 1.00 0.27 H new ATOM 1637 N ILE B 28 3.858 -2.268 -2.863 1.00 0.19 N ATOM 1638 CA ILE B 28 4.500 -1.317 -1.900 1.00 0.20 C ATOM 1639 C ILE B 28 5.897 -1.819 -1.513 1.00 0.21 C ATOM 1640 O ILE B 28 6.045 -2.886 -0.952 1.00 0.25 O ATOM 1641 CB ILE B 28 3.623 -1.215 -0.649 1.00 0.22 C ATOM 1642 CG1 ILE B 28 2.320 -0.488 -1.017 1.00 0.28 C ATOM 1643 CG2 ILE B 28 4.365 -0.423 0.433 1.00 0.21 C ATOM 1644 CD1 ILE B 28 1.331 -0.568 0.153 1.00 0.44 C ATOM 0 H ILE B 28 3.691 -3.207 -2.501 1.00 0.19 H new ATOM 0 HA ILE B 28 4.599 -0.337 -2.367 1.00 0.20 H new ATOM 0 HB ILE B 28 3.397 -2.212 -0.271 1.00 0.22 H new ATOM 0 HG12 ILE B 28 2.530 0.554 -1.257 1.00 0.28 H new ATOM 0 HG13 ILE B 28 1.881 -0.938 -1.907 1.00 0.28 H new ATOM 0 HG21 ILE B 28 3.741 -0.350 1.323 1.00 0.21 H new ATOM 0 HG22 ILE B 28 5.296 -0.932 0.683 1.00 0.21 H new ATOM 0 HG23 ILE B 28 4.587 0.578 0.063 1.00 0.21 H new ATOM 0 HD11 ILE B 28 0.409 -0.051 -0.114 1.00 0.44 H new ATOM 0 HD12 ILE B 28 1.111 -1.613 0.372 1.00 0.44 H new ATOM 0 HD13 ILE B 28 1.769 -0.097 1.033 1.00 0.44 H new ATOM 1656 N GLU B 29 6.891 -1.033 -1.826 1.00 0.23 N ATOM 1657 CA GLU B 29 8.288 -1.440 -1.492 1.00 0.26 C ATOM 1658 C GLU B 29 8.572 -1.191 -0.005 1.00 0.27 C ATOM 1659 O GLU B 29 7.833 -0.494 0.661 1.00 0.27 O ATOM 1660 CB GLU B 29 9.257 -0.616 -2.345 1.00 0.29 C ATOM 1661 CG GLU B 29 10.694 -0.902 -1.902 1.00 0.40 C ATOM 1662 CD GLU B 29 11.662 -0.440 -2.993 1.00 0.83 C ATOM 1663 OE1 GLU B 29 11.174 0.173 -3.927 1.00 1.53 O ATOM 1664 OE2 GLU B 29 12.836 -0.728 -2.829 1.00 1.55 O ATOM 0 H GLU B 29 6.799 -0.132 -2.295 1.00 0.23 H new ATOM 0 HA GLU B 29 8.417 -2.503 -1.698 1.00 0.26 H new ATOM 0 HB2 GLU B 29 9.133 -0.865 -3.399 1.00 0.29 H new ATOM 0 HB3 GLU B 29 9.037 0.447 -2.241 1.00 0.29 H new ATOM 0 HG2 GLU B 29 10.908 -0.384 -0.967 1.00 0.40 H new ATOM 0 HG3 GLU B 29 10.823 -1.968 -1.713 1.00 0.40 H new ATOM 1671 N SER B 30 9.637 -1.778 0.480 1.00 0.32 N ATOM 1672 CA SER B 30 10.001 -1.590 1.919 1.00 0.34 C ATOM 1673 C SER B 30 9.783 -0.133 2.340 1.00 0.35 C ATOM 1674 O SER B 30 10.330 0.774 1.743 1.00 0.39 O ATOM 1675 CB SER B 30 11.473 -1.954 2.110 1.00 0.40 C ATOM 1676 OG SER B 30 12.129 -1.329 1.017 1.00 0.44 O ATOM 0 H SER B 30 10.267 -2.376 -0.054 1.00 0.32 H new ATOM 0 HA SER B 30 9.370 -2.232 2.533 1.00 0.34 H new ATOM 0 HB2 SER B 30 11.853 -1.590 3.064 1.00 0.40 H new ATOM 0 HB3 SER B 30 11.621 -3.034 2.099 1.00 0.40 H new ATOM 0 HG SER B 30 11.854 -0.390 0.964 1.00 0.44 H new ATOM 1682 N GLY B 31 8.984 0.053 3.362 1.00 0.35 N ATOM 1683 CA GLY B 31 8.706 1.439 3.852 1.00 0.38 C ATOM 1684 C GLY B 31 9.087 1.559 5.334 1.00 0.42 C ATOM 1685 O GLY B 31 9.663 0.654 5.906 1.00 0.42 O ATOM 0 H GLY B 31 8.514 -0.692 3.876 1.00 0.35 H new ATOM 0 HA2 GLY B 31 9.271 2.162 3.263 1.00 0.38 H new ATOM 0 HA3 GLY B 31 7.650 1.675 3.719 1.00 0.38 H new ATOM 1689 N PRO B 32 8.754 2.686 5.926 1.00 0.46 N ATOM 1690 CA PRO B 32 9.059 2.935 7.340 1.00 0.51 C ATOM 1691 C PRO B 32 8.279 1.960 8.225 1.00 0.49 C ATOM 1692 O PRO B 32 8.389 1.983 9.435 1.00 0.52 O ATOM 1693 CB PRO B 32 8.607 4.379 7.599 1.00 0.55 C ATOM 1694 CG PRO B 32 8.007 4.925 6.266 1.00 0.54 C ATOM 1695 CD PRO B 32 8.054 3.781 5.237 1.00 0.47 C ATOM 0 HA PRO B 32 10.116 2.795 7.566 1.00 0.51 H new ATOM 0 HB2 PRO B 32 7.864 4.412 8.396 1.00 0.55 H new ATOM 0 HB3 PRO B 32 9.448 4.993 7.921 1.00 0.55 H new ATOM 0 HG2 PRO B 32 6.982 5.264 6.417 1.00 0.54 H new ATOM 0 HG3 PRO B 32 8.577 5.784 5.912 1.00 0.54 H new ATOM 0 HD2 PRO B 32 7.051 3.480 4.933 1.00 0.47 H new ATOM 0 HD3 PRO B 32 8.584 4.083 4.333 1.00 0.47 H new ATOM 1703 N HIS B 33 7.508 1.124 7.584 1.00 0.45 N ATOM 1704 CA HIS B 33 6.693 0.122 8.334 1.00 0.46 C ATOM 1705 C HIS B 33 7.086 -1.291 7.902 1.00 0.44 C ATOM 1706 O HIS B 33 6.842 -2.251 8.606 1.00 0.50 O ATOM 1707 CB HIS B 33 5.226 0.355 8.007 1.00 0.44 C ATOM 1708 CG HIS B 33 4.980 -0.039 6.550 1.00 0.36 C ATOM 1709 ND1 HIS B 33 5.683 0.370 5.541 1.00 0.33 N ATOM 1710 CD2 HIS B 33 4.021 -0.893 6.008 1.00 0.34 C ATOM 1711 CE1 HIS B 33 5.254 -0.143 4.449 1.00 0.29 C ATOM 1712 NE2 HIS B 33 4.242 -0.919 4.704 1.00 0.29 N ATOM 0 H HIS B 33 7.406 1.091 6.570 1.00 0.45 H new ATOM 0 HA HIS B 33 6.866 0.229 9.405 1.00 0.46 H new ATOM 0 HB2 HIS B 33 4.593 -0.235 8.670 1.00 0.44 H new ATOM 0 HB3 HIS B 33 4.965 1.402 8.165 1.00 0.44 H new ATOM 0 HD2 HIS B 33 3.251 -1.427 6.545 1.00 0.34 H new ATOM 0 HE1 HIS B 33 5.668 0.040 3.469 1.00 0.29 H new ATOM 0 HE2 HIS B 33 3.711 -1.455 4.018 1.00 0.29 H new ATOM 1720 N CYS B 34 7.688 -1.382 6.744 1.00 0.38 N ATOM 1721 CA CYS B 34 8.106 -2.718 6.229 1.00 0.37 C ATOM 1722 C CYS B 34 9.513 -2.636 5.628 1.00 0.39 C ATOM 1723 O CYS B 34 9.804 -1.757 4.842 1.00 0.39 O ATOM 1724 CB CYS B 34 7.115 -3.165 5.156 1.00 0.34 C ATOM 1725 SG CYS B 34 6.860 -4.945 4.956 1.00 0.45 S ATOM 0 H CYS B 34 7.907 -0.593 6.136 1.00 0.38 H new ATOM 0 HA CYS B 34 8.118 -3.436 7.049 1.00 0.37 H new ATOM 0 HB2 CYS B 34 6.150 -2.708 5.376 1.00 0.34 H new ATOM 0 HB3 CYS B 34 7.448 -2.762 4.200 1.00 0.34 H new ATOM 1730 N ALA B 35 10.355 -3.558 6.013 1.00 0.43 N ATOM 1731 CA ALA B 35 11.747 -3.552 5.480 1.00 0.46 C ATOM 1732 C ALA B 35 11.876 -4.533 4.309 1.00 0.46 C ATOM 1733 O ALA B 35 12.952 -5.014 4.015 1.00 0.52 O ATOM 1734 CB ALA B 35 12.708 -3.962 6.596 1.00 0.53 C ATOM 0 H ALA B 35 10.141 -4.309 6.669 1.00 0.43 H new ATOM 0 HA ALA B 35 11.990 -2.551 5.125 1.00 0.46 H new ATOM 0 HB1 ALA B 35 13.729 -3.961 6.215 1.00 0.53 H new ATOM 0 HB2 ALA B 35 12.628 -3.256 7.423 1.00 0.53 H new ATOM 0 HB3 ALA B 35 12.453 -4.962 6.947 1.00 0.53 H new ATOM 1740 N ASN B 36 10.770 -4.806 3.666 1.00 0.42 N ATOM 1741 CA ASN B 36 10.805 -5.760 2.514 1.00 0.43 C ATOM 1742 C ASN B 36 9.893 -5.271 1.387 1.00 0.39 C ATOM 1743 O ASN B 36 9.712 -4.092 1.195 1.00 0.44 O ATOM 1744 CB ASN B 36 10.330 -7.133 2.993 1.00 0.46 C ATOM 1745 CG ASN B 36 11.131 -7.542 4.230 1.00 0.57 C ATOM 1746 OD1 ASN B 36 12.310 -7.267 4.340 1.00 1.18 O ATOM 1747 ND2 ASN B 36 10.532 -8.203 5.183 1.00 1.15 N ATOM 0 H ASN B 36 9.853 -4.415 3.884 1.00 0.42 H new ATOM 0 HA ASN B 36 11.825 -5.825 2.134 1.00 0.43 H new ATOM 0 HB2 ASN B 36 9.266 -7.101 3.229 1.00 0.46 H new ATOM 0 HB3 ASN B 36 10.459 -7.872 2.202 1.00 0.46 H new ATOM 0 HD21 ASN B 36 11.053 -8.485 6.013 1.00 1.15 H new ATOM 0 HD22 ASN B 36 9.543 -8.437 5.097 1.00 1.15 H new ATOM 1754 N THR B 37 9.358 -6.203 0.665 1.00 0.39 N ATOM 1755 CA THR B 37 8.444 -5.846 -0.463 1.00 0.36 C ATOM 1756 C THR B 37 7.151 -6.664 -0.366 1.00 0.34 C ATOM 1757 O THR B 37 7.179 -7.832 -0.035 1.00 0.40 O ATOM 1758 CB THR B 37 9.152 -6.141 -1.787 1.00 0.43 C ATOM 1759 OG1 THR B 37 9.562 -4.865 -2.267 1.00 0.46 O ATOM 1760 CG2 THR B 37 8.194 -6.681 -2.851 1.00 0.45 C ATOM 0 H THR B 37 9.509 -7.203 0.801 1.00 0.39 H new ATOM 0 HA THR B 37 8.191 -4.787 -0.411 1.00 0.36 H new ATOM 0 HB THR B 37 9.945 -6.870 -1.621 1.00 0.43 H new ATOM 0 HG1 THR B 37 10.478 -4.923 -2.610 1.00 0.46 H new ATOM 0 HG21 THR B 37 8.744 -6.875 -3.772 1.00 0.45 H new ATOM 0 HG22 THR B 37 7.742 -7.607 -2.497 1.00 0.45 H new ATOM 0 HG23 THR B 37 7.412 -5.946 -3.043 1.00 0.45 H new ATOM 1768 N GLU B 38 6.046 -6.026 -0.653 1.00 0.31 N ATOM 1769 CA GLU B 38 4.737 -6.745 -0.582 1.00 0.34 C ATOM 1770 C GLU B 38 3.868 -6.380 -1.790 1.00 0.30 C ATOM 1771 O GLU B 38 3.682 -5.219 -2.096 1.00 0.32 O ATOM 1772 CB GLU B 38 4.019 -6.343 0.704 1.00 0.41 C ATOM 1773 CG GLU B 38 5.051 -6.155 1.817 1.00 1.06 C ATOM 1774 CD GLU B 38 4.337 -6.101 3.168 1.00 1.86 C ATOM 1775 OE1 GLU B 38 3.500 -5.224 3.303 1.00 2.39 O ATOM 1776 OE2 GLU B 38 4.669 -6.940 3.990 1.00 2.59 O ATOM 0 H GLU B 38 5.992 -5.046 -0.931 1.00 0.31 H new ATOM 0 HA GLU B 38 4.914 -7.820 -0.589 1.00 0.34 H new ATOM 0 HB2 GLU B 38 3.460 -5.420 0.550 1.00 0.41 H new ATOM 0 HB3 GLU B 38 3.297 -7.109 0.987 1.00 0.41 H new ATOM 0 HG2 GLU B 38 5.769 -6.975 1.805 1.00 1.06 H new ATOM 0 HG3 GLU B 38 5.615 -5.236 1.654 1.00 1.06 H new ATOM 1783 N ILE B 39 3.351 -7.385 -2.448 1.00 0.28 N ATOM 1784 CA ILE B 39 2.491 -7.121 -3.640 1.00 0.25 C ATOM 1785 C ILE B 39 1.010 -7.213 -3.259 1.00 0.23 C ATOM 1786 O ILE B 39 0.468 -8.292 -3.115 1.00 0.26 O ATOM 1787 CB ILE B 39 2.805 -8.159 -4.720 1.00 0.29 C ATOM 1788 CG1 ILE B 39 4.165 -7.824 -5.354 1.00 0.41 C ATOM 1789 CG2 ILE B 39 1.713 -8.112 -5.793 1.00 0.33 C ATOM 1790 CD1 ILE B 39 4.618 -8.978 -6.263 1.00 0.62 C ATOM 0 H ILE B 39 3.485 -8.369 -2.214 1.00 0.28 H new ATOM 0 HA ILE B 39 2.695 -6.118 -4.014 1.00 0.25 H new ATOM 0 HB ILE B 39 2.841 -9.156 -4.282 1.00 0.29 H new ATOM 0 HG12 ILE B 39 4.089 -6.903 -5.932 1.00 0.41 H new ATOM 0 HG13 ILE B 39 4.907 -7.651 -4.574 1.00 0.41 H new ATOM 0 HG21 ILE B 39 1.930 -8.849 -6.566 1.00 0.33 H new ATOM 0 HG22 ILE B 39 0.747 -8.336 -5.339 1.00 0.33 H new ATOM 0 HG23 ILE B 39 1.683 -7.118 -6.238 1.00 0.33 H new ATOM 0 HD11 ILE B 39 5.582 -8.733 -6.709 1.00 0.62 H new ATOM 0 HD12 ILE B 39 4.712 -9.890 -5.674 1.00 0.62 H new ATOM 0 HD13 ILE B 39 3.882 -9.130 -7.052 1.00 0.62 H new ATOM 1802 N ILE B 40 0.387 -6.077 -3.105 1.00 0.21 N ATOM 1803 CA ILE B 40 -1.060 -6.078 -2.740 1.00 0.22 C ATOM 1804 C ILE B 40 -1.919 -6.085 -4.008 1.00 0.21 C ATOM 1805 O ILE B 40 -1.449 -5.758 -5.080 1.00 0.26 O ATOM 1806 CB ILE B 40 -1.368 -4.825 -1.918 1.00 0.24 C ATOM 1807 CG1 ILE B 40 -0.760 -4.984 -0.526 1.00 0.36 C ATOM 1808 CG2 ILE B 40 -2.883 -4.654 -1.791 1.00 0.43 C ATOM 1809 CD1 ILE B 40 -0.364 -3.607 0.012 1.00 0.76 C ATOM 0 H ILE B 40 0.811 -5.156 -3.215 1.00 0.21 H new ATOM 0 HA ILE B 40 -1.287 -6.969 -2.155 1.00 0.22 H new ATOM 0 HB ILE B 40 -0.946 -3.949 -2.411 1.00 0.24 H new ATOM 0 HG12 ILE B 40 -1.477 -5.457 0.145 1.00 0.36 H new ATOM 0 HG13 ILE B 40 0.113 -5.635 -0.570 1.00 0.36 H new ATOM 0 HG21 ILE B 40 -3.101 -3.761 -1.205 1.00 0.43 H new ATOM 0 HG22 ILE B 40 -3.322 -4.553 -2.783 1.00 0.43 H new ATOM 0 HG23 ILE B 40 -3.307 -5.526 -1.294 1.00 0.43 H new ATOM 0 HD11 ILE B 40 0.071 -3.716 1.006 1.00 0.76 H new ATOM 0 HD12 ILE B 40 0.367 -3.152 -0.656 1.00 0.76 H new ATOM 0 HD13 ILE B 40 -1.247 -2.971 0.070 1.00 0.76 H new ATOM 1821 N VAL B 41 -3.161 -6.456 -3.863 1.00 0.21 N ATOM 1822 CA VAL B 41 -4.053 -6.494 -5.056 1.00 0.20 C ATOM 1823 C VAL B 41 -5.504 -6.195 -4.652 1.00 0.19 C ATOM 1824 O VAL B 41 -5.862 -6.314 -3.496 1.00 0.23 O ATOM 1825 CB VAL B 41 -3.963 -7.884 -5.689 1.00 0.23 C ATOM 1826 CG1 VAL B 41 -4.400 -8.940 -4.667 1.00 0.38 C ATOM 1827 CG2 VAL B 41 -4.878 -7.946 -6.912 1.00 0.36 C ATOM 0 H VAL B 41 -3.593 -6.732 -2.981 1.00 0.21 H new ATOM 0 HA VAL B 41 -3.736 -5.736 -5.772 1.00 0.20 H new ATOM 0 HB VAL B 41 -2.935 -8.079 -5.995 1.00 0.23 H new ATOM 0 HG11 VAL B 41 -4.336 -9.931 -5.117 1.00 0.38 H new ATOM 0 HG12 VAL B 41 -3.747 -8.895 -3.795 1.00 0.38 H new ATOM 0 HG13 VAL B 41 -5.428 -8.746 -4.361 1.00 0.38 H new ATOM 0 HG21 VAL B 41 -4.815 -8.936 -7.364 1.00 0.36 H new ATOM 0 HG22 VAL B 41 -5.906 -7.751 -6.607 1.00 0.36 H new ATOM 0 HG23 VAL B 41 -4.566 -7.195 -7.638 1.00 0.36 H new ATOM 1837 N LYS B 42 -6.307 -5.809 -5.619 1.00 0.20 N ATOM 1838 CA LYS B 42 -7.742 -5.495 -5.316 1.00 0.21 C ATOM 1839 C LYS B 42 -8.671 -6.241 -6.280 1.00 0.20 C ATOM 1840 O LYS B 42 -8.490 -6.198 -7.486 1.00 0.20 O ATOM 1841 CB LYS B 42 -7.970 -3.991 -5.454 1.00 0.25 C ATOM 1842 CG LYS B 42 -8.352 -3.416 -4.086 1.00 0.42 C ATOM 1843 CD LYS B 42 -8.625 -1.916 -4.222 1.00 0.65 C ATOM 1844 CE LYS B 42 -9.902 -1.568 -3.453 1.00 1.02 C ATOM 1845 NZ LYS B 42 -10.182 -0.107 -3.541 1.00 1.68 N ATOM 0 H LYS B 42 -6.034 -5.699 -6.595 1.00 0.20 H new ATOM 0 HA LYS B 42 -7.964 -5.814 -4.298 1.00 0.21 H new ATOM 0 HB2 LYS B 42 -7.068 -3.506 -5.827 1.00 0.25 H new ATOM 0 HB3 LYS B 42 -8.760 -3.795 -6.179 1.00 0.25 H new ATOM 0 HG2 LYS B 42 -9.236 -3.924 -3.700 1.00 0.42 H new ATOM 0 HG3 LYS B 42 -7.548 -3.587 -3.370 1.00 0.42 H new ATOM 0 HD2 LYS B 42 -7.783 -1.344 -3.832 1.00 0.65 H new ATOM 0 HD3 LYS B 42 -8.734 -1.647 -5.273 1.00 0.65 H new ATOM 0 HE2 LYS B 42 -10.743 -2.131 -3.859 1.00 1.02 H new ATOM 0 HE3 LYS B 42 -9.796 -1.862 -2.409 1.00 1.02 H new ATOM 0 HZ1 LYS B 42 -11.051 0.112 -3.014 1.00 1.68 H new ATOM 0 HZ2 LYS B 42 -9.387 0.424 -3.133 1.00 1.68 H new ATOM 0 HZ3 LYS B 42 -10.304 0.164 -4.538 1.00 1.68 H new ATOM 1859 N LEU B 43 -9.652 -6.904 -5.721 1.00 0.23 N ATOM 1860 CA LEU B 43 -10.612 -7.670 -6.572 1.00 0.24 C ATOM 1861 C LEU B 43 -11.828 -6.805 -6.923 1.00 0.28 C ATOM 1862 O LEU B 43 -12.271 -5.999 -6.127 1.00 0.33 O ATOM 1863 CB LEU B 43 -11.082 -8.906 -5.807 1.00 0.29 C ATOM 1864 CG LEU B 43 -10.005 -9.985 -5.885 1.00 0.35 C ATOM 1865 CD1 LEU B 43 -8.689 -9.420 -5.351 1.00 0.42 C ATOM 1866 CD2 LEU B 43 -10.427 -11.179 -5.027 1.00 0.50 C ATOM 0 H LEU B 43 -9.829 -6.948 -4.717 1.00 0.23 H new ATOM 0 HA LEU B 43 -10.110 -7.963 -7.494 1.00 0.24 H new ATOM 0 HB2 LEU B 43 -11.282 -8.650 -4.767 1.00 0.29 H new ATOM 0 HB3 LEU B 43 -12.016 -9.276 -6.230 1.00 0.29 H new ATOM 0 HG LEU B 43 -9.875 -10.303 -6.919 1.00 0.35 H new ATOM 0 HD11 LEU B 43 -7.916 -10.186 -5.404 1.00 0.42 H new ATOM 0 HD12 LEU B 43 -8.391 -8.561 -5.953 1.00 0.42 H new ATOM 0 HD13 LEU B 43 -8.821 -9.109 -4.315 1.00 0.42 H new ATOM 0 HD21 LEU B 43 -9.661 -11.953 -5.079 1.00 0.50 H new ATOM 0 HD22 LEU B 43 -10.549 -10.858 -3.992 1.00 0.50 H new ATOM 0 HD23 LEU B 43 -11.371 -11.578 -5.397 1.00 0.50 H new ATOM 1878 N SER B 44 -12.337 -7.003 -8.110 1.00 0.30 N ATOM 1879 CA SER B 44 -13.528 -6.210 -8.560 1.00 0.35 C ATOM 1880 C SER B 44 -14.635 -6.215 -7.497 1.00 0.38 C ATOM 1881 O SER B 44 -15.353 -5.248 -7.347 1.00 0.47 O ATOM 1882 CB SER B 44 -14.076 -6.830 -9.842 1.00 0.38 C ATOM 1883 OG SER B 44 -15.179 -7.609 -9.406 1.00 0.55 O ATOM 0 H SER B 44 -11.983 -7.677 -8.789 1.00 0.30 H new ATOM 0 HA SER B 44 -13.214 -5.180 -8.727 1.00 0.35 H new ATOM 0 HB2 SER B 44 -14.385 -6.065 -10.554 1.00 0.38 H new ATOM 0 HB3 SER B 44 -13.326 -7.445 -10.340 1.00 0.38 H new ATOM 0 HG SER B 44 -15.596 -8.047 -10.178 1.00 0.55 H new ATOM 1889 N ASP B 45 -14.750 -7.299 -6.783 1.00 0.38 N ATOM 1890 CA ASP B 45 -15.820 -7.376 -5.743 1.00 0.48 C ATOM 1891 C ASP B 45 -15.644 -6.256 -4.713 1.00 0.51 C ATOM 1892 O ASP B 45 -16.474 -6.069 -3.847 1.00 0.60 O ATOM 1893 CB ASP B 45 -15.737 -8.730 -5.043 1.00 0.53 C ATOM 1894 CG ASP B 45 -14.270 -9.130 -4.885 1.00 0.48 C ATOM 1895 OD1 ASP B 45 -13.547 -8.320 -4.329 1.00 1.18 O ATOM 1896 OD2 ASP B 45 -13.955 -10.222 -5.329 1.00 1.19 O ATOM 0 H ASP B 45 -14.160 -8.126 -6.870 1.00 0.38 H new ATOM 0 HA ASP B 45 -16.793 -7.261 -6.221 1.00 0.48 H new ATOM 0 HB2 ASP B 45 -16.218 -8.677 -4.066 1.00 0.53 H new ATOM 0 HB3 ASP B 45 -16.271 -9.484 -5.621 1.00 0.53 H new ATOM 1901 N GLY B 46 -14.566 -5.536 -4.833 1.00 0.45 N ATOM 1902 CA GLY B 46 -14.318 -4.426 -3.873 1.00 0.52 C ATOM 1903 C GLY B 46 -13.551 -4.938 -2.657 1.00 0.49 C ATOM 1904 O GLY B 46 -13.676 -4.401 -1.573 1.00 0.58 O ATOM 0 H GLY B 46 -13.850 -5.666 -5.548 1.00 0.45 H new ATOM 0 HA2 GLY B 46 -13.751 -3.634 -4.362 1.00 0.52 H new ATOM 0 HA3 GLY B 46 -15.266 -3.991 -3.557 1.00 0.52 H new ATOM 1908 N ARG B 47 -12.768 -5.969 -2.865 1.00 0.40 N ATOM 1909 CA ARG B 47 -11.982 -6.547 -1.726 1.00 0.39 C ATOM 1910 C ARG B 47 -10.483 -6.327 -1.947 1.00 0.34 C ATOM 1911 O ARG B 47 -10.055 -6.020 -3.042 1.00 0.43 O ATOM 1912 CB ARG B 47 -12.266 -8.046 -1.636 1.00 0.41 C ATOM 1913 CG ARG B 47 -13.773 -8.263 -1.459 1.00 0.59 C ATOM 1914 CD ARG B 47 -14.098 -9.747 -1.644 1.00 1.03 C ATOM 1915 NE ARG B 47 -13.571 -10.509 -0.477 1.00 1.24 N ATOM 1916 CZ ARG B 47 -14.381 -11.262 0.214 1.00 1.80 C ATOM 1917 NH1 ARG B 47 -14.772 -12.400 -0.291 1.00 2.46 N ATOM 1918 NH2 ARG B 47 -14.776 -10.852 1.390 1.00 2.34 N ATOM 0 H ARG B 47 -12.639 -6.433 -3.764 1.00 0.40 H new ATOM 0 HA ARG B 47 -12.277 -6.052 -0.801 1.00 0.39 H new ATOM 0 HB2 ARG B 47 -11.917 -8.549 -2.538 1.00 0.41 H new ATOM 0 HB3 ARG B 47 -11.723 -8.482 -0.798 1.00 0.41 H new ATOM 0 HG2 ARG B 47 -14.085 -7.932 -0.469 1.00 0.59 H new ATOM 0 HG3 ARG B 47 -14.325 -7.665 -2.184 1.00 0.59 H new ATOM 0 HD2 ARG B 47 -15.175 -9.888 -1.730 1.00 1.03 H new ATOM 0 HD3 ARG B 47 -13.653 -10.117 -2.567 1.00 1.03 H new ATOM 0 HE ARG B 47 -12.586 -10.442 -0.221 1.00 1.24 H new ATOM 0 HH11 ARG B 47 -14.444 -12.688 -1.213 1.00 2.46 H new ATOM 0 HH12 ARG B 47 -15.405 -13.001 0.236 1.00 2.46 H new ATOM 0 HH21 ARG B 47 -14.451 -9.956 1.753 1.00 2.34 H new ATOM 0 HH22 ARG B 47 -15.410 -11.428 1.945 1.00 2.34 H new ATOM 1932 N GLU B 48 -9.722 -6.489 -0.896 1.00 0.29 N ATOM 1933 CA GLU B 48 -8.245 -6.297 -1.016 1.00 0.26 C ATOM 1934 C GLU B 48 -7.506 -7.400 -0.255 1.00 0.26 C ATOM 1935 O GLU B 48 -7.778 -7.646 0.904 1.00 0.33 O ATOM 1936 CB GLU B 48 -7.866 -4.932 -0.439 1.00 0.31 C ATOM 1937 CG GLU B 48 -7.888 -5.004 1.088 1.00 1.22 C ATOM 1938 CD GLU B 48 -7.955 -3.585 1.658 1.00 1.52 C ATOM 1939 OE1 GLU B 48 -8.782 -2.839 1.159 1.00 2.19 O ATOM 1940 OE2 GLU B 48 -7.174 -3.327 2.560 1.00 1.71 O ATOM 0 H GLU B 48 -10.055 -6.744 0.034 1.00 0.29 H new ATOM 0 HA GLU B 48 -7.961 -6.344 -2.067 1.00 0.26 H new ATOM 0 HB2 GLU B 48 -6.875 -4.640 -0.786 1.00 0.31 H new ATOM 0 HB3 GLU B 48 -8.563 -4.171 -0.789 1.00 0.31 H new ATOM 0 HG2 GLU B 48 -8.747 -5.585 1.424 1.00 1.22 H new ATOM 0 HG3 GLU B 48 -6.996 -5.514 1.453 1.00 1.22 H new ATOM 1947 N LEU B 49 -6.588 -8.041 -0.932 1.00 0.24 N ATOM 1948 CA LEU B 49 -5.809 -9.138 -0.278 1.00 0.26 C ATOM 1949 C LEU B 49 -4.309 -8.904 -0.470 1.00 0.24 C ATOM 1950 O LEU B 49 -3.901 -7.901 -1.027 1.00 0.43 O ATOM 1951 CB LEU B 49 -6.198 -10.473 -0.910 1.00 0.32 C ATOM 1952 CG LEU B 49 -7.675 -10.756 -0.622 1.00 0.37 C ATOM 1953 CD1 LEU B 49 -8.439 -10.841 -1.944 1.00 0.75 C ATOM 1954 CD2 LEU B 49 -7.796 -12.091 0.114 1.00 0.54 C ATOM 0 H LEU B 49 -6.344 -7.854 -1.905 1.00 0.24 H new ATOM 0 HA LEU B 49 -6.033 -9.151 0.789 1.00 0.26 H new ATOM 0 HB2 LEU B 49 -6.024 -10.444 -1.986 1.00 0.32 H new ATOM 0 HB3 LEU B 49 -5.577 -11.274 -0.508 1.00 0.32 H new ATOM 0 HG LEU B 49 -8.090 -9.957 -0.008 1.00 0.37 H new ATOM 0 HD11 LEU B 49 -9.491 -11.042 -1.744 1.00 0.75 H new ATOM 0 HD12 LEU B 49 -8.346 -9.896 -2.479 1.00 0.75 H new ATOM 0 HD13 LEU B 49 -8.025 -11.645 -2.552 1.00 0.75 H new ATOM 0 HD21 LEU B 49 -8.846 -12.298 0.322 1.00 0.54 H new ATOM 0 HD22 LEU B 49 -7.385 -12.887 -0.507 1.00 0.54 H new ATOM 0 HD23 LEU B 49 -7.243 -12.041 1.052 1.00 0.54 H new ATOM 1966 N CYS B 50 -3.520 -9.839 -0.005 1.00 0.23 N ATOM 1967 CA CYS B 50 -2.038 -9.699 -0.141 1.00 0.22 C ATOM 1968 C CYS B 50 -1.433 -10.996 -0.682 1.00 0.22 C ATOM 1969 O CYS B 50 -1.741 -12.072 -0.207 1.00 0.28 O ATOM 1970 CB CYS B 50 -1.442 -9.391 1.229 1.00 0.25 C ATOM 1971 SG CYS B 50 -1.725 -7.736 1.902 1.00 0.54 S ATOM 0 H CYS B 50 -3.836 -10.690 0.461 1.00 0.23 H new ATOM 0 HA CYS B 50 -1.813 -8.890 -0.836 1.00 0.22 H new ATOM 0 HB2 CYS B 50 -1.837 -10.117 1.940 1.00 0.25 H new ATOM 0 HB3 CYS B 50 -0.366 -9.553 1.173 1.00 0.25 H new ATOM 1976 N LEU B 51 -0.581 -10.861 -1.665 1.00 0.22 N ATOM 1977 CA LEU B 51 0.059 -12.071 -2.264 1.00 0.24 C ATOM 1978 C LEU B 51 1.525 -12.166 -1.833 1.00 0.28 C ATOM 1979 O LEU B 51 2.135 -11.177 -1.477 1.00 0.34 O ATOM 1980 CB LEU B 51 -0.010 -11.971 -3.787 1.00 0.24 C ATOM 1981 CG LEU B 51 -1.415 -11.528 -4.202 1.00 0.31 C ATOM 1982 CD1 LEU B 51 -1.501 -11.506 -5.728 1.00 0.37 C ATOM 1983 CD2 LEU B 51 -2.440 -12.520 -3.651 1.00 0.44 C ATOM 0 H LEU B 51 -0.302 -9.971 -2.077 1.00 0.22 H new ATOM 0 HA LEU B 51 -0.470 -12.960 -1.920 1.00 0.24 H new ATOM 0 HB2 LEU B 51 0.730 -11.258 -4.150 1.00 0.24 H new ATOM 0 HB3 LEU B 51 0.228 -12.935 -4.237 1.00 0.24 H new ATOM 0 HG LEU B 51 -1.621 -10.533 -3.807 1.00 0.31 H new ATOM 0 HD11 LEU B 51 -2.499 -11.191 -6.032 1.00 0.37 H new ATOM 0 HD12 LEU B 51 -0.764 -10.807 -6.124 1.00 0.37 H new ATOM 0 HD13 LEU B 51 -1.301 -12.504 -6.118 1.00 0.37 H new ATOM 0 HD21 LEU B 51 -3.442 -12.208 -3.944 1.00 0.44 H new ATOM 0 HD22 LEU B 51 -2.237 -13.513 -4.052 1.00 0.44 H new ATOM 0 HD23 LEU B 51 -2.372 -12.547 -2.563 1.00 0.44 H new ATOM 1995 N ASP B 52 2.053 -13.359 -1.879 1.00 0.31 N ATOM 1996 CA ASP B 52 3.478 -13.557 -1.483 1.00 0.37 C ATOM 1997 C ASP B 52 4.344 -13.809 -2.751 1.00 0.32 C ATOM 1998 O ASP B 52 4.228 -14.854 -3.359 1.00 0.31 O ATOM 1999 CB ASP B 52 3.562 -14.786 -0.581 1.00 0.48 C ATOM 2000 CG ASP B 52 4.792 -14.670 0.321 1.00 0.66 C ATOM 2001 OD1 ASP B 52 5.750 -14.074 -0.145 1.00 0.61 O ATOM 2002 OD2 ASP B 52 4.705 -15.184 1.424 1.00 1.05 O ATOM 0 H ASP B 52 1.562 -14.203 -2.173 1.00 0.31 H new ATOM 0 HA ASP B 52 3.843 -12.671 -0.963 1.00 0.37 H new ATOM 0 HB2 ASP B 52 2.660 -14.869 0.025 1.00 0.48 H new ATOM 0 HB3 ASP B 52 3.624 -15.691 -1.185 1.00 0.48 H new ATOM 2007 N PRO B 53 5.202 -12.857 -3.140 1.00 0.39 N ATOM 2008 CA PRO B 53 6.035 -13.048 -4.336 1.00 0.44 C ATOM 2009 C PRO B 53 6.919 -14.287 -4.175 1.00 0.45 C ATOM 2010 O PRO B 53 7.654 -14.653 -5.070 1.00 0.57 O ATOM 2011 CB PRO B 53 6.889 -11.781 -4.448 1.00 0.58 C ATOM 2012 CG PRO B 53 6.451 -10.822 -3.300 1.00 0.62 C ATOM 2013 CD PRO B 53 5.414 -11.571 -2.444 1.00 0.49 C ATOM 0 HA PRO B 53 5.433 -13.204 -5.231 1.00 0.44 H new ATOM 0 HB2 PRO B 53 7.948 -12.023 -4.363 1.00 0.58 H new ATOM 0 HB3 PRO B 53 6.747 -11.307 -5.419 1.00 0.58 H new ATOM 0 HG2 PRO B 53 7.310 -10.531 -2.695 1.00 0.62 H new ATOM 0 HG3 PRO B 53 6.023 -9.906 -3.707 1.00 0.62 H new ATOM 0 HD2 PRO B 53 5.779 -11.727 -1.429 1.00 0.49 H new ATOM 0 HD3 PRO B 53 4.485 -11.007 -2.366 1.00 0.49 H new ATOM 2021 N LYS B 54 6.826 -14.906 -3.030 1.00 0.39 N ATOM 2022 CA LYS B 54 7.640 -16.119 -2.784 1.00 0.45 C ATOM 2023 C LYS B 54 7.026 -17.327 -3.500 1.00 0.44 C ATOM 2024 O LYS B 54 7.647 -18.368 -3.603 1.00 0.50 O ATOM 2025 CB LYS B 54 7.688 -16.387 -1.280 1.00 0.48 C ATOM 2026 CG LYS B 54 8.829 -17.361 -0.977 1.00 0.91 C ATOM 2027 CD LYS B 54 8.923 -17.567 0.535 1.00 1.26 C ATOM 2028 CE LYS B 54 10.085 -18.514 0.841 1.00 1.89 C ATOM 2029 NZ LYS B 54 11.251 -17.753 1.372 1.00 2.75 N ATOM 0 H LYS B 54 6.222 -14.622 -2.259 1.00 0.39 H new ATOM 0 HA LYS B 54 8.647 -15.960 -3.169 1.00 0.45 H new ATOM 0 HB2 LYS B 54 7.837 -15.454 -0.737 1.00 0.48 H new ATOM 0 HB3 LYS B 54 6.739 -16.804 -0.943 1.00 0.48 H new ATOM 0 HG2 LYS B 54 8.652 -18.314 -1.476 1.00 0.91 H new ATOM 0 HG3 LYS B 54 9.770 -16.969 -1.362 1.00 0.91 H new ATOM 0 HD2 LYS B 54 9.075 -16.611 1.036 1.00 1.26 H new ATOM 0 HD3 LYS B 54 7.990 -17.981 0.917 1.00 1.26 H new ATOM 0 HE2 LYS B 54 9.770 -19.263 1.568 1.00 1.89 H new ATOM 0 HE3 LYS B 54 10.374 -19.049 -0.064 1.00 1.89 H new ATOM 0 HZ1 LYS B 54 12.031 -18.410 1.575 1.00 2.75 H new ATOM 0 HZ2 LYS B 54 11.561 -17.055 0.666 1.00 2.75 H new ATOM 0 HZ3 LYS B 54 10.976 -17.262 2.247 1.00 2.75 H new ATOM 2043 N GLU B 55 5.817 -17.164 -3.983 1.00 0.40 N ATOM 2044 CA GLU B 55 5.149 -18.300 -4.694 1.00 0.40 C ATOM 2045 C GLU B 55 5.231 -18.096 -6.210 1.00 0.40 C ATOM 2046 O GLU B 55 5.044 -17.003 -6.706 1.00 0.39 O ATOM 2047 CB GLU B 55 3.686 -18.372 -4.266 1.00 0.38 C ATOM 2048 CG GLU B 55 3.607 -18.439 -2.739 1.00 0.42 C ATOM 2049 CD GLU B 55 2.928 -19.746 -2.324 1.00 0.94 C ATOM 2050 OE1 GLU B 55 3.434 -20.775 -2.740 1.00 1.65 O ATOM 2051 OE2 GLU B 55 1.941 -19.642 -1.614 1.00 1.35 O ATOM 0 H GLU B 55 5.270 -16.306 -3.917 1.00 0.40 H new ATOM 0 HA GLU B 55 5.655 -19.230 -4.436 1.00 0.40 H new ATOM 0 HB2 GLU B 55 3.145 -17.499 -4.631 1.00 0.38 H new ATOM 0 HB3 GLU B 55 3.210 -19.249 -4.705 1.00 0.38 H new ATOM 0 HG2 GLU B 55 4.607 -18.383 -2.309 1.00 0.42 H new ATOM 0 HG3 GLU B 55 3.047 -17.587 -2.355 1.00 0.42 H new ATOM 2058 N ASN B 56 5.500 -19.160 -6.913 1.00 0.44 N ATOM 2059 CA ASN B 56 5.615 -19.049 -8.397 1.00 0.45 C ATOM 2060 C ASN B 56 4.267 -18.689 -9.030 1.00 0.42 C ATOM 2061 O ASN B 56 4.210 -17.897 -9.950 1.00 0.42 O ATOM 2062 CB ASN B 56 6.098 -20.386 -8.957 1.00 0.50 C ATOM 2063 CG ASN B 56 7.621 -20.359 -9.086 1.00 1.08 C ATOM 2064 OD1 ASN B 56 8.298 -19.580 -8.444 1.00 1.79 O ATOM 2065 ND2 ASN B 56 8.203 -21.193 -9.904 1.00 1.84 N ATOM 0 H ASN B 56 5.644 -20.094 -6.531 1.00 0.44 H new ATOM 0 HA ASN B 56 6.325 -18.257 -8.635 1.00 0.45 H new ATOM 0 HB2 ASN B 56 5.792 -21.200 -8.301 1.00 0.50 H new ATOM 0 HB3 ASN B 56 5.642 -20.572 -9.930 1.00 0.50 H new ATOM 0 HD21 ASN B 56 9.218 -21.188 -10.001 1.00 1.84 H new ATOM 0 HD22 ASN B 56 7.642 -21.850 -10.447 1.00 1.84 H new ATOM 2072 N TRP B 57 3.204 -19.270 -8.536 1.00 0.41 N ATOM 2073 CA TRP B 57 1.874 -18.956 -9.136 1.00 0.39 C ATOM 2074 C TRP B 57 1.540 -17.475 -8.955 1.00 0.35 C ATOM 2075 O TRP B 57 0.731 -16.933 -9.677 1.00 0.37 O ATOM 2076 CB TRP B 57 0.780 -19.825 -8.496 1.00 0.39 C ATOM 2077 CG TRP B 57 0.699 -19.574 -6.982 1.00 0.38 C ATOM 2078 CD1 TRP B 57 1.299 -20.332 -6.070 1.00 0.40 C ATOM 2079 CD2 TRP B 57 -0.017 -18.623 -6.406 1.00 0.35 C ATOM 2080 NE1 TRP B 57 0.909 -19.794 -4.904 1.00 0.39 N ATOM 2081 CE2 TRP B 57 0.076 -18.711 -5.026 1.00 0.36 C ATOM 2082 CE3 TRP B 57 -0.791 -17.623 -6.974 1.00 0.33 C ATOM 2083 CZ2 TRP B 57 -0.597 -17.810 -4.223 1.00 0.35 C ATOM 2084 CZ3 TRP B 57 -1.462 -16.723 -6.168 1.00 0.31 C ATOM 2085 CH2 TRP B 57 -1.365 -16.818 -4.793 1.00 0.33 C ATOM 0 H TRP B 57 3.197 -19.933 -7.761 1.00 0.41 H new ATOM 0 HA TRP B 57 1.919 -19.175 -10.203 1.00 0.39 H new ATOM 0 HB2 TRP B 57 -0.182 -19.604 -8.958 1.00 0.39 H new ATOM 0 HB3 TRP B 57 0.990 -20.878 -8.684 1.00 0.39 H new ATOM 0 HD1 TRP B 57 1.947 -21.181 -6.230 1.00 0.40 H new ATOM 0 HE1 TRP B 57 1.208 -20.161 -4.000 1.00 0.39 H new ATOM 0 HE3 TRP B 57 -0.870 -17.547 -8.048 1.00 0.33 H new ATOM 0 HZ2 TRP B 57 -0.521 -17.883 -3.148 1.00 0.35 H new ATOM 0 HZ3 TRP B 57 -2.063 -15.944 -6.614 1.00 0.31 H new ATOM 0 HH2 TRP B 57 -1.891 -16.115 -4.165 1.00 0.33 H new ATOM 2096 N VAL B 58 2.166 -16.844 -8.003 1.00 0.34 N ATOM 2097 CA VAL B 58 1.880 -15.397 -7.795 1.00 0.31 C ATOM 2098 C VAL B 58 2.568 -14.582 -8.882 1.00 0.32 C ATOM 2099 O VAL B 58 2.017 -13.628 -9.393 1.00 0.31 O ATOM 2100 CB VAL B 58 2.406 -14.968 -6.422 1.00 0.31 C ATOM 2101 CG1 VAL B 58 2.642 -13.457 -6.417 1.00 0.30 C ATOM 2102 CG2 VAL B 58 1.375 -15.320 -5.356 1.00 0.31 C ATOM 0 H VAL B 58 2.851 -17.257 -7.370 1.00 0.34 H new ATOM 0 HA VAL B 58 0.804 -15.227 -7.842 1.00 0.31 H new ATOM 0 HB VAL B 58 3.343 -15.484 -6.212 1.00 0.31 H new ATOM 0 HG11 VAL B 58 3.016 -13.150 -5.440 1.00 0.30 H new ATOM 0 HG12 VAL B 58 3.374 -13.201 -7.183 1.00 0.30 H new ATOM 0 HG13 VAL B 58 1.704 -12.942 -6.624 1.00 0.30 H new ATOM 0 HG21 VAL B 58 1.746 -15.016 -4.377 1.00 0.31 H new ATOM 0 HG22 VAL B 58 0.441 -14.800 -5.568 1.00 0.31 H new ATOM 0 HG23 VAL B 58 1.200 -16.396 -5.360 1.00 0.31 H new ATOM 2112 N GLN B 59 3.758 -14.981 -9.214 1.00 0.36 N ATOM 2113 CA GLN B 59 4.499 -14.253 -10.274 1.00 0.38 C ATOM 2114 C GLN B 59 3.812 -14.472 -11.623 1.00 0.38 C ATOM 2115 O GLN B 59 3.997 -13.712 -12.547 1.00 0.39 O ATOM 2116 CB GLN B 59 5.927 -14.796 -10.337 1.00 0.42 C ATOM 2117 CG GLN B 59 6.826 -13.763 -11.018 1.00 0.45 C ATOM 2118 CD GLN B 59 8.259 -14.295 -11.068 1.00 1.26 C ATOM 2119 OE1 GLN B 59 8.504 -15.469 -10.875 1.00 1.97 O ATOM 2120 NE2 GLN B 59 9.234 -13.466 -11.323 1.00 2.02 N ATOM 0 H GLN B 59 4.248 -15.774 -8.801 1.00 0.36 H new ATOM 0 HA GLN B 59 4.515 -13.187 -10.049 1.00 0.38 H new ATOM 0 HB2 GLN B 59 6.293 -15.009 -9.333 1.00 0.42 H new ATOM 0 HB3 GLN B 59 5.948 -15.735 -10.890 1.00 0.42 H new ATOM 0 HG2 GLN B 59 6.466 -13.559 -12.026 1.00 0.45 H new ATOM 0 HG3 GLN B 59 6.795 -12.820 -10.472 1.00 0.45 H new ATOM 0 HE21 GLN B 59 9.035 -12.479 -11.486 1.00 2.02 H new ATOM 0 HE22 GLN B 59 10.195 -13.805 -11.359 1.00 2.02 H new ATOM 2129 N ARG B 60 3.017 -15.506 -11.699 1.00 0.38 N ATOM 2130 CA ARG B 60 2.320 -15.806 -12.983 1.00 0.39 C ATOM 2131 C ARG B 60 0.987 -15.053 -13.083 1.00 0.36 C ATOM 2132 O ARG B 60 0.785 -14.274 -13.993 1.00 0.38 O ATOM 2133 CB ARG B 60 2.062 -17.309 -13.064 1.00 0.41 C ATOM 2134 CG ARG B 60 2.540 -17.832 -14.419 1.00 0.86 C ATOM 2135 CD ARG B 60 2.270 -19.335 -14.502 1.00 1.03 C ATOM 2136 NE ARG B 60 2.172 -19.730 -15.933 1.00 1.82 N ATOM 2137 CZ ARG B 60 2.808 -20.789 -16.352 1.00 2.22 C ATOM 2138 NH1 ARG B 60 2.796 -21.865 -15.615 1.00 2.55 N ATOM 2139 NH2 ARG B 60 3.437 -20.734 -17.494 1.00 2.85 N ATOM 0 H ARG B 60 2.821 -16.151 -10.934 1.00 0.38 H new ATOM 0 HA ARG B 60 2.954 -15.481 -13.808 1.00 0.39 H new ATOM 0 HB2 ARG B 60 2.585 -17.823 -12.258 1.00 0.41 H new ATOM 0 HB3 ARG B 60 0.999 -17.514 -12.936 1.00 0.41 H new ATOM 0 HG2 ARG B 60 2.023 -17.312 -15.226 1.00 0.86 H new ATOM 0 HG3 ARG B 60 3.605 -17.634 -14.543 1.00 0.86 H new ATOM 0 HD2 ARG B 60 3.071 -19.889 -14.012 1.00 1.03 H new ATOM 0 HD3 ARG B 60 1.346 -19.581 -13.979 1.00 1.03 H new ATOM 0 HE ARG B 60 1.612 -19.177 -16.582 1.00 1.82 H new ATOM 0 HH11 ARG B 60 2.295 -21.869 -14.727 1.00 2.55 H new ATOM 0 HH12 ARG B 60 3.288 -22.702 -15.927 1.00 2.55 H new ATOM 0 HH21 ARG B 60 3.425 -19.874 -18.042 1.00 2.85 H new ATOM 0 HH22 ARG B 60 3.940 -21.551 -17.839 1.00 2.85 H new ATOM 2153 N VAL B 61 0.098 -15.296 -12.150 1.00 0.32 N ATOM 2154 CA VAL B 61 -1.214 -14.602 -12.215 1.00 0.30 C ATOM 2155 C VAL B 61 -0.991 -13.086 -12.223 1.00 0.28 C ATOM 2156 O VAL B 61 -1.738 -12.346 -12.833 1.00 0.26 O ATOM 2157 CB VAL B 61 -2.058 -15.019 -11.008 1.00 0.29 C ATOM 2158 CG1 VAL B 61 -2.166 -16.548 -10.975 1.00 0.37 C ATOM 2159 CG2 VAL B 61 -1.381 -14.522 -9.727 1.00 0.34 C ATOM 0 H VAL B 61 0.225 -15.933 -11.363 1.00 0.32 H new ATOM 0 HA VAL B 61 -1.741 -14.878 -13.128 1.00 0.30 H new ATOM 0 HB VAL B 61 -3.056 -14.586 -11.083 1.00 0.29 H new ATOM 0 HG11 VAL B 61 -2.766 -16.852 -10.117 1.00 0.37 H new ATOM 0 HG12 VAL B 61 -2.639 -16.899 -11.892 1.00 0.37 H new ATOM 0 HG13 VAL B 61 -1.169 -16.981 -10.892 1.00 0.37 H new ATOM 0 HG21 VAL B 61 -1.977 -14.816 -8.863 1.00 0.34 H new ATOM 0 HG22 VAL B 61 -0.386 -14.960 -9.648 1.00 0.34 H new ATOM 0 HG23 VAL B 61 -1.297 -13.436 -9.758 1.00 0.34 H new ATOM 2169 N VAL B 62 0.040 -12.658 -11.550 1.00 0.29 N ATOM 2170 CA VAL B 62 0.338 -11.200 -11.530 1.00 0.28 C ATOM 2171 C VAL B 62 0.938 -10.788 -12.875 1.00 0.30 C ATOM 2172 O VAL B 62 0.622 -9.740 -13.406 1.00 0.30 O ATOM 2173 CB VAL B 62 1.334 -10.903 -10.408 1.00 0.30 C ATOM 2174 CG1 VAL B 62 1.781 -9.443 -10.506 1.00 0.31 C ATOM 2175 CG2 VAL B 62 0.654 -11.131 -9.058 1.00 0.32 C ATOM 0 H VAL B 62 0.682 -13.247 -11.019 1.00 0.29 H new ATOM 0 HA VAL B 62 -0.580 -10.638 -11.357 1.00 0.28 H new ATOM 0 HB VAL B 62 2.199 -11.560 -10.500 1.00 0.30 H new ATOM 0 HG11 VAL B 62 2.491 -9.226 -9.708 1.00 0.31 H new ATOM 0 HG12 VAL B 62 2.256 -9.272 -11.472 1.00 0.31 H new ATOM 0 HG13 VAL B 62 0.914 -8.790 -10.408 1.00 0.31 H new ATOM 0 HG21 VAL B 62 1.360 -10.921 -8.255 1.00 0.32 H new ATOM 0 HG22 VAL B 62 -0.207 -10.468 -8.968 1.00 0.32 H new ATOM 0 HG23 VAL B 62 0.323 -12.167 -8.988 1.00 0.32 H new ATOM 2185 N GLU B 63 1.796 -11.625 -13.403 1.00 0.33 N ATOM 2186 CA GLU B 63 2.416 -11.303 -14.720 1.00 0.36 C ATOM 2187 C GLU B 63 1.328 -11.169 -15.784 1.00 0.33 C ATOM 2188 O GLU B 63 1.378 -10.291 -16.622 1.00 0.35 O ATOM 2189 CB GLU B 63 3.371 -12.426 -15.119 1.00 0.41 C ATOM 2190 CG GLU B 63 3.831 -12.206 -16.560 1.00 0.50 C ATOM 2191 CD GLU B 63 5.204 -12.849 -16.757 1.00 1.24 C ATOM 2192 OE1 GLU B 63 5.216 -14.054 -16.948 1.00 1.89 O ATOM 2193 OE2 GLU B 63 6.166 -12.099 -16.705 1.00 1.87 O ATOM 0 H GLU B 63 2.090 -12.507 -12.983 1.00 0.33 H new ATOM 0 HA GLU B 63 2.963 -10.364 -14.639 1.00 0.36 H new ATOM 0 HB2 GLU B 63 4.231 -12.444 -14.449 1.00 0.41 H new ATOM 0 HB3 GLU B 63 2.874 -13.392 -15.027 1.00 0.41 H new ATOM 0 HG2 GLU B 63 3.111 -12.640 -17.254 1.00 0.50 H new ATOM 0 HG3 GLU B 63 3.882 -11.139 -16.779 1.00 0.50 H new ATOM 2200 N LYS B 64 0.363 -12.048 -15.730 1.00 0.31 N ATOM 2201 CA LYS B 64 -0.734 -11.982 -16.733 1.00 0.31 C ATOM 2202 C LYS B 64 -1.485 -10.656 -16.598 1.00 0.27 C ATOM 2203 O LYS B 64 -1.828 -10.035 -17.586 1.00 0.28 O ATOM 2204 CB LYS B 64 -1.695 -13.148 -16.507 1.00 0.32 C ATOM 2205 CG LYS B 64 -1.361 -14.268 -17.496 1.00 0.46 C ATOM 2206 CD LYS B 64 -2.282 -15.462 -17.238 1.00 1.03 C ATOM 2207 CE LYS B 64 -1.889 -16.607 -18.174 1.00 1.35 C ATOM 2208 NZ LYS B 64 -3.073 -17.454 -18.488 1.00 1.87 N ATOM 0 H LYS B 64 0.288 -12.799 -15.044 1.00 0.31 H new ATOM 0 HA LYS B 64 -0.312 -12.047 -17.736 1.00 0.31 H new ATOM 0 HB2 LYS B 64 -1.611 -13.512 -15.483 1.00 0.32 H new ATOM 0 HB3 LYS B 64 -2.725 -12.819 -16.645 1.00 0.32 H new ATOM 0 HG2 LYS B 64 -1.484 -13.914 -18.519 1.00 0.46 H new ATOM 0 HG3 LYS B 64 -0.319 -14.567 -17.386 1.00 0.46 H new ATOM 0 HD2 LYS B 64 -2.202 -15.781 -16.199 1.00 1.03 H new ATOM 0 HD3 LYS B 64 -3.321 -15.179 -17.406 1.00 1.03 H new ATOM 0 HE2 LYS B 64 -1.469 -16.203 -19.095 1.00 1.35 H new ATOM 0 HE3 LYS B 64 -1.113 -17.215 -17.709 1.00 1.35 H new ATOM 0 HZ1 LYS B 64 -2.789 -18.226 -19.124 1.00 1.87 H new ATOM 0 HZ2 LYS B 64 -3.457 -17.854 -17.608 1.00 1.87 H new ATOM 0 HZ3 LYS B 64 -3.802 -16.874 -18.951 1.00 1.87 H new ATOM 2222 N PHE B 65 -1.726 -10.246 -15.381 1.00 0.24 N ATOM 2223 CA PHE B 65 -2.447 -8.955 -15.185 1.00 0.21 C ATOM 2224 C PHE B 65 -1.718 -7.829 -15.920 1.00 0.24 C ATOM 2225 O PHE B 65 -2.334 -7.017 -16.582 1.00 0.25 O ATOM 2226 CB PHE B 65 -2.513 -8.620 -13.707 1.00 0.19 C ATOM 2227 CG PHE B 65 -3.192 -7.257 -13.542 1.00 0.17 C ATOM 2228 CD1 PHE B 65 -4.547 -7.113 -13.788 1.00 0.18 C ATOM 2229 CD2 PHE B 65 -2.461 -6.148 -13.151 1.00 0.19 C ATOM 2230 CE1 PHE B 65 -5.158 -5.882 -13.645 1.00 0.18 C ATOM 2231 CE2 PHE B 65 -3.074 -4.919 -13.008 1.00 0.19 C ATOM 2232 CZ PHE B 65 -4.422 -4.787 -13.256 1.00 0.18 C ATOM 0 H PHE B 65 -1.460 -10.739 -14.528 1.00 0.24 H new ATOM 0 HA PHE B 65 -3.456 -9.056 -15.584 1.00 0.21 H new ATOM 0 HB2 PHE B 65 -3.071 -9.387 -13.170 1.00 0.19 H new ATOM 0 HB3 PHE B 65 -1.511 -8.597 -13.280 1.00 0.19 H new ATOM 0 HD1 PHE B 65 -5.130 -7.969 -14.094 1.00 0.18 H new ATOM 0 HD2 PHE B 65 -1.403 -6.245 -12.956 1.00 0.19 H new ATOM 0 HE1 PHE B 65 -6.215 -5.779 -13.839 1.00 0.18 H new ATOM 0 HE2 PHE B 65 -2.495 -4.060 -12.701 1.00 0.19 H new ATOM 0 HZ PHE B 65 -4.901 -3.825 -13.145 1.00 0.18 H new ATOM 2242 N LEU B 66 -0.420 -7.802 -15.787 1.00 0.29 N ATOM 2243 CA LEU B 66 0.365 -6.731 -16.470 1.00 0.35 C ATOM 2244 C LEU B 66 0.278 -6.898 -17.991 1.00 0.35 C ATOM 2245 O LEU B 66 0.089 -5.940 -18.714 1.00 0.37 O ATOM 2246 CB LEU B 66 1.825 -6.824 -16.030 1.00 0.44 C ATOM 2247 CG LEU B 66 2.027 -5.978 -14.772 1.00 0.61 C ATOM 2248 CD1 LEU B 66 3.208 -6.535 -13.977 1.00 1.12 C ATOM 2249 CD2 LEU B 66 2.327 -4.534 -15.177 1.00 0.76 C ATOM 0 H LEU B 66 0.128 -8.467 -15.241 1.00 0.29 H new ATOM 0 HA LEU B 66 -0.044 -5.758 -16.199 1.00 0.35 H new ATOM 0 HB2 LEU B 66 2.092 -7.862 -15.831 1.00 0.44 H new ATOM 0 HB3 LEU B 66 2.480 -6.474 -16.827 1.00 0.44 H new ATOM 0 HG LEU B 66 1.125 -6.007 -14.160 1.00 0.61 H new ATOM 0 HD11 LEU B 66 3.357 -5.936 -13.079 1.00 1.12 H new ATOM 0 HD12 LEU B 66 3.002 -7.567 -13.694 1.00 1.12 H new ATOM 0 HD13 LEU B 66 4.108 -6.500 -14.590 1.00 1.12 H new ATOM 0 HD21 LEU B 66 2.472 -3.928 -14.283 1.00 0.76 H new ATOM 0 HD22 LEU B 66 3.232 -4.507 -15.784 1.00 0.76 H new ATOM 0 HD23 LEU B 66 1.492 -4.137 -15.753 1.00 0.76 H new ATOM 2261 N LYS B 67 0.417 -8.114 -18.444 1.00 0.38 N ATOM 2262 CA LYS B 67 0.344 -8.361 -19.915 1.00 0.42 C ATOM 2263 C LYS B 67 -1.077 -8.097 -20.424 1.00 0.39 C ATOM 2264 O LYS B 67 -1.276 -7.779 -21.580 1.00 0.44 O ATOM 2265 CB LYS B 67 0.725 -9.813 -20.198 1.00 0.47 C ATOM 2266 CG LYS B 67 1.544 -9.871 -21.490 1.00 0.98 C ATOM 2267 CD LYS B 67 1.574 -11.310 -21.999 1.00 1.37 C ATOM 2268 CE LYS B 67 2.350 -11.364 -23.322 1.00 1.68 C ATOM 2269 NZ LYS B 67 2.650 -12.780 -23.668 1.00 2.37 N ATOM 0 H LYS B 67 0.576 -8.940 -17.868 1.00 0.38 H new ATOM 0 HA LYS B 67 1.033 -7.690 -20.427 1.00 0.42 H new ATOM 0 HB2 LYS B 67 1.303 -10.219 -19.368 1.00 0.47 H new ATOM 0 HB3 LYS B 67 -0.171 -10.426 -20.293 1.00 0.47 H new ATOM 0 HG2 LYS B 67 1.106 -9.215 -22.242 1.00 0.98 H new ATOM 0 HG3 LYS B 67 2.558 -9.515 -21.308 1.00 0.98 H new ATOM 0 HD2 LYS B 67 2.045 -11.959 -21.261 1.00 1.37 H new ATOM 0 HD3 LYS B 67 0.558 -11.678 -22.145 1.00 1.37 H new ATOM 0 HE2 LYS B 67 1.766 -10.901 -24.117 1.00 1.68 H new ATOM 0 HE3 LYS B 67 3.276 -10.796 -23.235 1.00 1.68 H new ATOM 0 HZ1 LYS B 67 3.176 -12.814 -24.565 1.00 2.37 H new ATOM 0 HZ2 LYS B 67 3.224 -13.208 -22.913 1.00 2.37 H new ATOM 0 HZ3 LYS B 67 1.760 -13.309 -23.768 1.00 2.37 H new ATOM 2283 N ARG B 68 -2.036 -8.236 -19.549 1.00 0.33 N ATOM 2284 CA ARG B 68 -3.449 -7.998 -19.965 1.00 0.34 C ATOM 2285 C ARG B 68 -3.770 -6.499 -19.928 1.00 0.34 C ATOM 2286 O ARG B 68 -4.373 -5.970 -20.841 1.00 0.39 O ATOM 2287 CB ARG B 68 -4.382 -8.743 -19.010 1.00 0.35 C ATOM 2288 CG ARG B 68 -5.832 -8.461 -19.407 1.00 0.43 C ATOM 2289 CD ARG B 68 -6.639 -9.759 -19.317 1.00 0.94 C ATOM 2290 NE ARG B 68 -8.091 -9.425 -19.311 1.00 1.59 N ATOM 2291 CZ ARG B 68 -8.956 -10.317 -19.712 1.00 2.24 C ATOM 2292 NH1 ARG B 68 -8.540 -11.526 -19.976 1.00 2.82 N ATOM 2293 NH2 ARG B 68 -10.208 -9.971 -19.835 1.00 2.88 N ATOM 0 H ARG B 68 -1.905 -8.502 -18.573 1.00 0.33 H new ATOM 0 HA ARG B 68 -3.589 -8.361 -20.983 1.00 0.34 H new ATOM 0 HB2 ARG B 68 -4.183 -9.814 -19.049 1.00 0.35 H new ATOM 0 HB3 ARG B 68 -4.204 -8.422 -17.984 1.00 0.35 H new ATOM 0 HG2 ARG B 68 -6.261 -7.705 -18.749 1.00 0.43 H new ATOM 0 HG3 ARG B 68 -5.873 -8.062 -20.421 1.00 0.43 H new ATOM 0 HD2 ARG B 68 -6.405 -10.408 -20.161 1.00 0.94 H new ATOM 0 HD3 ARG B 68 -6.374 -10.306 -18.412 1.00 0.94 H new ATOM 0 HE ARG B 68 -8.407 -8.507 -18.996 1.00 1.59 H new ATOM 0 HH11 ARG B 68 -7.553 -11.761 -19.868 1.00 2.82 H new ATOM 0 HH12 ARG B 68 -9.202 -12.236 -20.290 1.00 2.82 H new ATOM 0 HH21 ARG B 68 -10.497 -9.017 -19.619 1.00 2.88 H new ATOM 0 HH22 ARG B 68 -10.898 -10.655 -20.147 1.00 2.88 H new ATOM 2307 N ALA B 69 -3.358 -5.849 -18.875 1.00 0.30 N ATOM 2308 CA ALA B 69 -3.630 -4.386 -18.765 1.00 0.32 C ATOM 2309 C ALA B 69 -2.795 -3.618 -19.796 1.00 0.38 C ATOM 2310 O ALA B 69 -3.136 -2.516 -20.178 1.00 0.42 O ATOM 2311 CB ALA B 69 -3.270 -3.911 -17.358 1.00 0.29 C ATOM 0 H ALA B 69 -2.850 -6.261 -18.093 1.00 0.30 H new ATOM 0 HA ALA B 69 -4.687 -4.201 -18.957 1.00 0.32 H new ATOM 0 HB1 ALA B 69 -3.467 -2.842 -17.273 1.00 0.29 H new ATOM 0 HB2 ALA B 69 -3.872 -4.450 -16.627 1.00 0.29 H new ATOM 0 HB3 ALA B 69 -2.213 -4.101 -17.169 1.00 0.29 H new ATOM 2317 N GLU B 70 -1.718 -4.218 -20.223 1.00 0.43 N ATOM 2318 CA GLU B 70 -0.851 -3.541 -21.229 1.00 0.50 C ATOM 2319 C GLU B 70 -1.407 -3.762 -22.638 1.00 0.55 C ATOM 2320 O GLU B 70 -1.430 -2.857 -23.449 1.00 0.60 O ATOM 2321 CB GLU B 70 0.562 -4.119 -21.139 1.00 0.53 C ATOM 2322 CG GLU B 70 1.471 -3.380 -22.127 1.00 0.66 C ATOM 2323 CD GLU B 70 2.912 -3.862 -21.947 1.00 1.20 C ATOM 2324 OE1 GLU B 70 3.523 -3.402 -20.996 1.00 1.84 O ATOM 2325 OE2 GLU B 70 3.322 -4.665 -22.771 1.00 1.91 O ATOM 0 H GLU B 70 -1.402 -5.140 -19.922 1.00 0.43 H new ATOM 0 HA GLU B 70 -0.828 -2.471 -21.024 1.00 0.50 H new ATOM 0 HB2 GLU B 70 0.947 -4.015 -20.124 1.00 0.53 H new ATOM 0 HB3 GLU B 70 0.547 -5.185 -21.367 1.00 0.53 H new ATOM 0 HG2 GLU B 70 1.140 -3.562 -23.149 1.00 0.66 H new ATOM 0 HG3 GLU B 70 1.412 -2.305 -21.959 1.00 0.66 H new ATOM 2332 N ASN B 71 -1.843 -4.963 -22.901 1.00 0.54 N ATOM 2333 CA ASN B 71 -2.402 -5.263 -24.251 1.00 0.61 C ATOM 2334 C ASN B 71 -3.747 -4.552 -24.437 1.00 0.65 C ATOM 2335 O ASN B 71 -4.142 -4.244 -25.542 1.00 0.81 O ATOM 2336 CB ASN B 71 -2.601 -6.771 -24.385 1.00 0.66 C ATOM 2337 CG ASN B 71 -3.449 -7.062 -25.624 1.00 0.79 C ATOM 2338 OD1 ASN B 71 -4.652 -6.892 -25.619 1.00 1.18 O ATOM 2339 ND2 ASN B 71 -2.865 -7.500 -26.705 1.00 1.45 N ATOM 0 H ASN B 71 -1.837 -5.745 -22.246 1.00 0.54 H new ATOM 0 HA ASN B 71 -1.708 -4.909 -25.014 1.00 0.61 H new ATOM 0 HB2 ASN B 71 -1.636 -7.271 -24.466 1.00 0.66 H new ATOM 0 HB3 ASN B 71 -3.091 -7.165 -23.495 1.00 0.66 H new ATOM 0 HD21 ASN B 71 -3.418 -7.697 -27.539 1.00 1.45 H new ATOM 0 HD22 ASN B 71 -1.855 -7.645 -26.716 1.00 1.45 H new ATOM 2346 N SER B 72 -4.420 -4.307 -23.345 1.00 0.57 N ATOM 2347 CA SER B 72 -5.740 -3.616 -23.438 1.00 0.64 C ATOM 2348 C SER B 72 -5.575 -2.247 -24.105 1.00 0.84 C ATOM 2349 O SER B 72 -6.547 -1.440 -23.983 1.00 1.43 O ATOM 2350 CB SER B 72 -6.310 -3.435 -22.032 1.00 0.65 C ATOM 2351 OG SER B 72 -7.704 -3.644 -22.193 1.00 1.33 O ATOM 2352 OXT SER B 72 -4.479 -2.047 -24.716 1.00 1.42 O ATOM 0 H SER B 72 -4.118 -4.552 -22.402 1.00 0.57 H new ATOM 0 HA SER B 72 -6.420 -4.220 -24.039 1.00 0.64 H new ATOM 0 HB2 SER B 72 -5.878 -4.150 -21.332 1.00 0.65 H new ATOM 0 HB3 SER B 72 -6.099 -2.439 -21.642 1.00 0.65 H new ATOM 0 HG SER B 72 -8.152 -3.547 -21.327 1.00 1.33 H new TER 2358 SER B 72 HETATM 2359 C ACE C 0 7.771 18.634 -0.148 1.00 0.00 C HETATM 2360 O ACE C 0 8.409 17.762 -0.731 1.00 0.00 O HETATM 2361 CH3 ACE C 0 6.998 18.297 1.122 1.00 0.00 C HETATM 0 H1 ACE C 0 7.373 18.902 1.947 1.00 0.00 H new HETATM 0 H2 ACE C 0 5.939 18.507 0.970 1.00 0.00 H new HETATM 0 H3 ACE C 0 7.128 17.241 1.358 1.00 0.00 H new ATOM 2365 N MET C 1 7.708 19.905 -0.565 1.00 0.00 N ATOM 2366 CA MET C 1 8.323 20.420 -1.787 1.00 0.00 C ATOM 2367 C MET C 1 9.808 20.061 -1.886 1.00 0.00 C ATOM 2368 O MET C 1 10.303 19.732 -2.962 1.00 0.00 O ATOM 2369 CB MET C 1 8.145 21.944 -1.847 1.00 0.00 C ATOM 2370 CG MET C 1 6.672 22.352 -1.949 1.00 0.00 C ATOM 2371 SD MET C 1 6.412 24.144 -2.024 1.00 0.00 S ATOM 2372 CE MET C 1 4.603 24.191 -2.110 1.00 0.00 C ATOM 0 H MET C 1 7.210 20.624 -0.041 1.00 0.00 H new ATOM 0 HA MET C 1 7.822 19.951 -2.634 1.00 0.00 H new ATOM 0 HB2 MET C 1 8.584 22.394 -0.957 1.00 0.00 H new ATOM 0 HB3 MET C 1 8.689 22.338 -2.705 1.00 0.00 H new ATOM 0 HG2 MET C 1 6.239 21.894 -2.838 1.00 0.00 H new ATOM 0 HG3 MET C 1 6.134 21.952 -1.090 1.00 0.00 H new ATOM 0 HE1 MET C 1 4.268 25.227 -2.162 1.00 0.00 H new ATOM 0 HE2 MET C 1 4.267 23.656 -2.998 1.00 0.00 H new ATOM 0 HE3 MET C 1 4.184 23.718 -1.222 1.00 0.00 H new ATOM 2382 N TRP C 2 10.506 20.126 -0.747 1.00 0.00 N ATOM 2383 CA TRP C 2 11.937 19.885 -0.606 1.00 0.00 C ATOM 2384 C TRP C 2 12.351 18.452 -0.971 1.00 0.00 C ATOM 2385 O TRP C 2 13.543 18.189 -1.116 1.00 0.00 O ATOM 2386 CB TRP C 2 12.352 20.225 0.829 1.00 0.00 C ATOM 2387 CG TRP C 2 11.930 21.585 1.301 1.00 0.00 C ATOM 2388 CD1 TRP C 2 12.637 22.726 1.146 1.00 0.00 C ATOM 2389 CD2 TRP C 2 10.683 21.978 1.950 1.00 0.00 C ATOM 2390 NE1 TRP C 2 11.926 23.794 1.654 1.00 0.00 N ATOM 2391 CE2 TRP C 2 10.707 23.388 2.157 1.00 0.00 C ATOM 2392 CE3 TRP C 2 9.526 21.287 2.374 1.00 0.00 C ATOM 2393 CZ2 TRP C 2 9.640 24.077 2.754 1.00 0.00 C ATOM 2394 CZ3 TRP C 2 8.446 21.970 2.965 1.00 0.00 C ATOM 2395 CH2 TRP C 2 8.501 23.361 3.156 1.00 0.00 C ATOM 0 H TRP C 2 10.062 20.360 0.141 1.00 0.00 H new ATOM 0 HA TRP C 2 12.457 20.528 -1.316 1.00 0.00 H new ATOM 0 HB2 TRP C 2 11.932 19.476 1.501 1.00 0.00 H new ATOM 0 HB3 TRP C 2 13.437 20.150 0.906 1.00 0.00 H new ATOM 0 HD1 TRP C 2 13.614 22.792 0.692 1.00 0.00 H new ATOM 0 HE1 TRP C 2 12.258 24.758 1.657 1.00 0.00 H new ATOM 0 HE3 TRP C 2 9.469 20.217 2.243 1.00 0.00 H new ATOM 0 HZ2 TRP C 2 9.694 25.145 2.902 1.00 0.00 H new ATOM 0 HZ3 TRP C 2 7.569 21.421 3.274 1.00 0.00 H new ATOM 0 HH2 TRP C 2 7.669 23.878 3.611 1.00 0.00 H new ATOM 2406 N ASP C 3 11.385 17.536 -1.125 1.00 0.00 N ATOM 2407 CA ASP C 3 11.597 16.157 -1.547 1.00 0.00 C ATOM 2408 C ASP C 3 12.387 16.050 -2.855 1.00 0.00 C ATOM 2409 O ASP C 3 13.122 15.081 -3.032 1.00 0.00 O ATOM 2410 CB ASP C 3 10.230 15.483 -1.694 1.00 0.00 C ATOM 2411 CG ASP C 3 10.320 14.069 -2.259 1.00 0.00 C ATOM 2412 OD1 ASP C 3 10.725 13.172 -1.488 1.00 0.00 O ATOM 2413 OD2 ASP C 3 9.982 13.914 -3.454 1.00 0.00 O ATOM 0 H ASP C 3 10.403 17.749 -0.952 1.00 0.00 H new ATOM 0 HA ASP C 3 12.198 15.656 -0.788 1.00 0.00 H new ATOM 0 HB2 ASP C 3 9.741 15.449 -0.720 1.00 0.00 H new ATOM 0 HB3 ASP C 3 9.600 16.089 -2.345 1.00 0.00 H new ATOM 2418 N PHE C 4 12.238 17.023 -3.764 1.00 0.00 N ATOM 2419 CA PHE C 4 12.860 17.027 -5.071 1.00 0.00 C ATOM 2420 C PHE C 4 14.384 17.135 -4.981 1.00 0.00 C ATOM 2421 O PHE C 4 14.982 17.129 -3.906 1.00 0.00 O ATOM 2422 CB PHE C 4 12.254 18.166 -5.915 1.00 0.00 C ATOM 2423 CG PHE C 4 12.943 19.520 -5.802 1.00 0.00 C ATOM 2424 CD1 PHE C 4 13.185 20.103 -4.543 1.00 0.00 C ATOM 2425 CD2 PHE C 4 13.449 20.142 -6.961 1.00 0.00 C ATOM 2426 CE1 PHE C 4 13.911 21.302 -4.445 1.00 0.00 C ATOM 2427 CE2 PHE C 4 14.185 21.335 -6.862 1.00 0.00 C ATOM 2428 CZ PHE C 4 14.415 21.916 -5.604 1.00 0.00 C ATOM 0 H PHE C 4 11.662 17.848 -3.594 1.00 0.00 H new ATOM 0 HA PHE C 4 12.656 16.075 -5.560 1.00 0.00 H new ATOM 0 HB2 PHE C 4 12.265 17.861 -6.961 1.00 0.00 H new ATOM 0 HB3 PHE C 4 11.209 18.287 -5.629 1.00 0.00 H new ATOM 0 HD1 PHE C 4 12.811 19.626 -3.649 1.00 0.00 H new ATOM 0 HD2 PHE C 4 13.270 19.700 -7.930 1.00 0.00 H new ATOM 0 HE1 PHE C 4 14.082 21.752 -3.478 1.00 0.00 H new ATOM 0 HE2 PHE C 4 14.574 21.805 -7.753 1.00 0.00 H new ATOM 0 HZ PHE C 4 14.979 22.834 -5.528 1.00 0.00 H new ATOM 2438 N ASP C 5 14.993 17.249 -6.157 1.00 0.00 N ATOM 2439 CA ASP C 5 16.417 17.444 -6.362 1.00 0.00 C ATOM 2440 C ASP C 5 16.601 18.394 -7.539 1.00 0.00 C ATOM 2441 O ASP C 5 15.891 18.292 -8.538 1.00 0.00 O ATOM 2442 CB ASP C 5 17.115 16.106 -6.643 1.00 0.00 C ATOM 2443 CG ASP C 5 17.102 15.186 -5.426 1.00 0.00 C ATOM 2444 OD1 ASP C 5 17.885 15.470 -4.493 1.00 0.00 O ATOM 2445 OD2 ASP C 5 16.314 14.217 -5.447 1.00 0.00 O ATOM 0 H ASP C 5 14.477 17.205 -7.035 1.00 0.00 H new ATOM 0 HA ASP C 5 16.865 17.866 -5.462 1.00 0.00 H new ATOM 0 HB2 ASP C 5 16.622 15.609 -7.478 1.00 0.00 H new ATOM 0 HB3 ASP C 5 18.146 16.292 -6.946 1.00 0.00 H new ATOM 2450 N ASP C 6 17.560 19.317 -7.420 1.00 0.00 N ATOM 2451 CA ASP C 6 17.924 20.257 -8.471 1.00 0.00 C ATOM 2452 C ASP C 6 18.787 19.540 -9.514 1.00 0.00 C ATOM 2453 O ASP C 6 19.986 19.794 -9.620 1.00 0.00 O ATOM 2454 CB ASP C 6 18.649 21.463 -7.858 1.00 0.00 C ATOM 2455 CG ASP C 6 17.748 22.235 -6.897 1.00 0.00 C ATOM 2456 OD1 ASP C 6 17.048 23.149 -7.384 1.00 0.00 O ATOM 2457 OD2 ASP C 6 17.776 21.896 -5.693 1.00 0.00 O ATOM 0 H ASP C 6 18.113 19.430 -6.571 1.00 0.00 H new ATOM 0 HA ASP C 6 17.030 20.630 -8.972 1.00 0.00 H new ATOM 0 HB2 ASP C 6 19.539 21.122 -7.328 1.00 0.00 H new ATOM 0 HB3 ASP C 6 18.987 22.127 -8.653 1.00 0.00 H new HETATM 2462 C1 ACA C 7 14.392 15.000 -10.187 1.00 0.00 C HETATM 2463 O1 ACA C 7 14.521 14.984 -8.965 1.00 0.00 O HETATM 2464 C2 ACA C 7 15.335 14.189 -11.070 1.00 0.00 C HETATM 2465 C3 ACA C 7 16.182 15.087 -11.980 1.00 0.00 C HETATM 2466 C4 ACA C 7 17.108 15.989 -11.156 1.00 0.00 C HETATM 2467 C5 ACA C 7 17.851 16.972 -12.067 1.00 0.00 C HETATM 2468 C6 ACA C 7 18.849 17.830 -11.282 1.00 0.00 C HETATM 2469 N6 ACA C 7 18.167 18.637 -10.283 1.00 0.00 N HETATM 0 HN61 ACA C 7 17.153 18.578 -10.185 1.00 0.00 H new HETATM 0 H62 ACA C 7 19.584 17.188 -10.797 1.00 0.00 H new HETATM 0 H61 ACA C 7 19.395 18.478 -11.967 1.00 0.00 H new HETATM 0 H52 ACA C 7 18.379 16.420 -12.844 1.00 0.00 H new HETATM 0 H51 ACA C 7 17.131 17.619 -12.568 1.00 0.00 H new HETATM 0 H42 ACA C 7 16.526 16.539 -10.416 1.00 0.00 H new HETATM 0 H41 ACA C 7 17.826 15.379 -10.608 1.00 0.00 H new HETATM 0 H32 ACA C 7 16.776 14.470 -12.655 1.00 0.00 H new HETATM 0 H31 ACA C 7 15.529 15.701 -12.601 1.00 0.00 H new HETATM 0 H22 ACA C 7 15.991 13.586 -10.442 1.00 0.00 H new HETATM 0 H21 ACA C 7 14.755 13.497 -11.681 1.00 0.00 H new ATOM 2481 N MET C 8 13.452 15.709 -10.822 1.00 0.00 N ATOM 2482 CA MET C 8 12.517 16.608 -10.166 1.00 0.00 C ATOM 2483 C MET C 8 11.080 16.267 -10.578 1.00 0.00 C ATOM 2484 O MET C 8 10.729 16.435 -11.745 1.00 0.00 O ATOM 2485 CB MET C 8 12.880 18.072 -10.461 1.00 0.00 C ATOM 2486 CG MET C 8 13.171 18.412 -11.929 1.00 0.00 C ATOM 2487 SD MET C 8 13.537 20.164 -12.229 1.00 0.00 S ATOM 2488 CE MET C 8 15.094 20.352 -11.324 1.00 0.00 C ATOM 0 HA MET C 8 12.585 16.476 -9.086 1.00 0.00 H new ATOM 0 HB2 MET C 8 12.061 18.704 -10.118 1.00 0.00 H new ATOM 0 HB3 MET C 8 13.756 18.335 -9.868 1.00 0.00 H new ATOM 0 HG2 MET C 8 14.016 17.813 -12.268 1.00 0.00 H new ATOM 0 HG3 MET C 8 12.312 18.123 -12.534 1.00 0.00 H new ATOM 0 HE1 MET C 8 15.563 21.297 -11.599 1.00 0.00 H new ATOM 0 HE2 MET C 8 14.895 20.344 -10.252 1.00 0.00 H new ATOM 0 HE3 MET C 8 15.763 19.529 -11.575 1.00 0.00 H new ATOM 2498 N PRO C 9 10.239 15.787 -9.644 1.00 0.00 N ATOM 2499 CA PRO C 9 8.807 15.585 -9.838 1.00 0.00 C ATOM 2500 C PRO C 9 8.065 16.865 -10.266 1.00 0.00 C ATOM 2501 O PRO C 9 8.681 17.918 -10.427 1.00 0.00 O ATOM 2502 CB PRO C 9 8.301 15.030 -8.500 1.00 0.00 C ATOM 2503 CG PRO C 9 9.518 14.297 -7.961 1.00 0.00 C ATOM 2504 CD PRO C 9 10.636 15.254 -8.353 1.00 0.00 C ATOM 0 HA PRO C 9 8.615 14.897 -10.661 1.00 0.00 H new ATOM 0 HB2 PRO C 9 7.977 15.825 -7.828 1.00 0.00 H new ATOM 0 HB3 PRO C 9 7.452 14.360 -8.635 1.00 0.00 H new ATOM 0 HG2 PRO C 9 9.464 14.147 -6.883 1.00 0.00 H new ATOM 0 HG3 PRO C 9 9.640 13.313 -8.414 1.00 0.00 H new ATOM 0 HD2 PRO C 9 10.751 16.049 -7.616 1.00 0.00 H new ATOM 0 HD3 PRO C 9 11.594 14.737 -8.417 1.00 0.00 H new ATOM 2512 N PRO C 10 6.738 16.789 -10.457 1.00 0.00 N ATOM 2513 CA PRO C 10 5.934 17.855 -11.029 1.00 0.00 C ATOM 2514 C PRO C 10 6.031 19.220 -10.355 1.00 0.00 C ATOM 2515 O PRO C 10 6.093 19.323 -9.130 1.00 0.00 O ATOM 2516 CB PRO C 10 4.489 17.368 -10.965 1.00 0.00 C ATOM 2517 CG PRO C 10 4.602 15.854 -10.940 1.00 0.00 C ATOM 2518 CD PRO C 10 5.912 15.621 -10.204 1.00 0.00 C ATOM 0 HA PRO C 10 6.312 18.036 -12.035 1.00 0.00 H new ATOM 0 HB2 PRO C 10 3.982 17.743 -10.076 1.00 0.00 H new ATOM 0 HB3 PRO C 10 3.916 17.710 -11.827 1.00 0.00 H new ATOM 0 HG2 PRO C 10 3.760 15.395 -10.421 1.00 0.00 H new ATOM 0 HG3 PRO C 10 4.624 15.434 -11.946 1.00 0.00 H new ATOM 0 HD2 PRO C 10 5.739 15.491 -9.136 1.00 0.00 H new ATOM 0 HD3 PRO C 10 6.402 14.715 -10.560 1.00 0.00 H new ATOM 2526 N ALA C 11 6.020 20.256 -11.202 1.00 0.00 N ATOM 2527 CA ALA C 11 5.895 21.660 -10.830 1.00 0.00 C ATOM 2528 C ALA C 11 4.496 22.134 -11.258 1.00 0.00 C ATOM 2529 O ALA C 11 4.286 23.308 -11.558 1.00 0.00 O ATOM 2530 CB ALA C 11 7.009 22.467 -11.504 1.00 0.00 C ATOM 0 H ALA C 11 6.102 20.127 -12.210 1.00 0.00 H new ATOM 0 HA ALA C 11 6.002 21.801 -9.755 1.00 0.00 H new ATOM 0 HB1 ALA C 11 6.917 23.517 -11.227 1.00 0.00 H new ATOM 0 HB2 ALA C 11 7.979 22.090 -11.179 1.00 0.00 H new ATOM 0 HB3 ALA C 11 6.925 22.369 -12.586 1.00 0.00 H new ATOM 2536 N ASP C 12 3.548 21.188 -11.283 1.00 0.00 N ATOM 2537 CA ASP C 12 2.158 21.284 -11.703 1.00 0.00 C ATOM 2538 C ASP C 12 1.450 20.135 -10.992 1.00 0.00 C ATOM 2539 O ASP C 12 2.116 19.178 -10.599 1.00 0.00 O ATOM 2540 CB ASP C 12 2.039 21.065 -13.218 1.00 0.00 C ATOM 2541 CG ASP C 12 2.800 22.108 -14.032 1.00 0.00 C ATOM 2542 OD1 ASP C 12 2.260 23.227 -14.170 1.00 0.00 O ATOM 2543 OD2 ASP C 12 3.909 21.767 -14.500 1.00 0.00 O ATOM 0 H ASP C 12 3.767 20.240 -10.976 1.00 0.00 H new ATOM 0 HA ASP C 12 1.738 22.262 -11.467 1.00 0.00 H new ATOM 0 HB2 ASP C 12 2.415 20.073 -13.467 1.00 0.00 H new ATOM 0 HB3 ASP C 12 0.987 21.088 -13.501 1.00 0.00 H new ATOM 2548 N GLU C 13 0.127 20.190 -10.815 1.00 0.00 N ATOM 2549 CA GLU C 13 -0.562 19.099 -10.142 1.00 0.00 C ATOM 2550 C GLU C 13 -2.068 19.096 -10.390 1.00 0.00 C ATOM 2551 O GLU C 13 -2.820 19.867 -9.799 1.00 0.00 O ATOM 2552 CB GLU C 13 -0.198 19.039 -8.652 1.00 0.00 C ATOM 2553 CG GLU C 13 -0.285 20.394 -7.935 1.00 0.00 C ATOM 2554 CD GLU C 13 0.062 20.256 -6.458 1.00 0.00 C ATOM 2555 OE1 GLU C 13 -0.864 19.933 -5.683 1.00 0.00 O ATOM 2556 OE2 GLU C 13 1.248 20.475 -6.128 1.00 0.00 O ATOM 0 H GLU C 13 -0.470 20.958 -11.121 1.00 0.00 H new ATOM 0 HA GLU C 13 -0.202 18.174 -10.593 1.00 0.00 H new ATOM 0 HB2 GLU C 13 -0.862 18.332 -8.154 1.00 0.00 H new ATOM 0 HB3 GLU C 13 0.815 18.650 -8.551 1.00 0.00 H new ATOM 0 HG2 GLU C 13 0.395 21.103 -8.407 1.00 0.00 H new ATOM 0 HG3 GLU C 13 -1.291 20.800 -8.039 1.00 0.00 H new ATOM 2563 N ASP C 14 -2.486 18.192 -11.280 1.00 0.00 N ATOM 2564 CA ASP C 14 -3.872 17.852 -11.553 1.00 0.00 C ATOM 2565 C ASP C 14 -3.876 16.361 -11.897 1.00 0.00 C ATOM 2566 O ASP C 14 -4.463 15.936 -12.889 1.00 0.00 O ATOM 2567 CB ASP C 14 -4.428 18.742 -12.674 1.00 0.00 C ATOM 2568 CG ASP C 14 -5.915 18.488 -12.925 1.00 0.00 C ATOM 2569 OD1 ASP C 14 -6.691 18.647 -11.958 1.00 0.00 O ATOM 2570 OD2 ASP C 14 -6.253 18.139 -14.077 1.00 0.00 O ATOM 0 H ASP C 14 -1.833 17.657 -11.852 1.00 0.00 H new ATOM 0 HA ASP C 14 -4.527 18.031 -10.700 1.00 0.00 H new ATOM 0 HB2 ASP C 14 -4.279 19.790 -12.413 1.00 0.00 H new ATOM 0 HB3 ASP C 14 -3.869 18.560 -13.592 1.00 0.00 H new ATOM 2575 N TYR C 15 -3.187 15.574 -11.059 1.00 0.00 N ATOM 2576 CA TYR C 15 -2.909 14.161 -11.267 1.00 0.00 C ATOM 2577 C TYR C 15 -3.304 13.404 -9.993 1.00 0.00 C ATOM 2578 O TYR C 15 -2.517 12.622 -9.462 1.00 0.00 O ATOM 2579 CB TYR C 15 -1.409 13.990 -11.579 1.00 0.00 C ATOM 2580 CG TYR C 15 -0.790 15.039 -12.491 1.00 0.00 C ATOM 2581 CD1 TYR C 15 -1.293 15.250 -13.790 1.00 0.00 C ATOM 2582 CD2 TYR C 15 0.298 15.811 -12.031 1.00 0.00 C ATOM 2583 CE1 TYR C 15 -0.678 16.195 -14.631 1.00 0.00 C ATOM 2584 CE2 TYR C 15 0.893 16.772 -12.864 1.00 0.00 C ATOM 2585 CZ TYR C 15 0.406 16.962 -14.167 1.00 0.00 C ATOM 2586 OH TYR C 15 0.987 17.893 -14.978 1.00 0.00 O ATOM 0 H TYR C 15 -2.796 15.926 -10.185 1.00 0.00 H new ATOM 0 HA TYR C 15 -3.479 13.762 -12.106 1.00 0.00 H new ATOM 0 HB2 TYR C 15 -0.861 13.988 -10.637 1.00 0.00 H new ATOM 0 HB3 TYR C 15 -1.263 13.011 -12.034 1.00 0.00 H new ATOM 0 HD1 TYR C 15 -2.147 14.689 -14.139 1.00 0.00 H new ATOM 0 HD2 TYR C 15 0.676 15.661 -11.030 1.00 0.00 H new ATOM 0 HE1 TYR C 15 -1.040 16.333 -15.639 1.00 0.00 H new ATOM 0 HE2 TYR C 15 1.722 17.363 -12.504 1.00 0.00 H new ATOM 0 HH TYR C 15 0.318 18.249 -15.599 1.00 0.00 H new ATOM 2596 N SER C 16 -4.524 13.658 -9.502 1.00 0.00 N ATOM 2597 CA SER C 16 -5.022 13.180 -8.218 1.00 0.00 C ATOM 2598 C SER C 16 -6.146 12.152 -8.413 1.00 0.00 C ATOM 2599 O SER C 16 -7.318 12.514 -8.326 1.00 0.00 O ATOM 2600 CB SER C 16 -5.505 14.384 -7.401 1.00 0.00 C ATOM 2601 OG SER C 16 -4.434 15.278 -7.175 1.00 0.00 O ATOM 0 H SER C 16 -5.208 14.220 -10.008 1.00 0.00 H new ATOM 0 HA SER C 16 -4.220 12.676 -7.678 1.00 0.00 H new ATOM 0 HB2 SER C 16 -6.309 14.894 -7.931 1.00 0.00 H new ATOM 0 HB3 SER C 16 -5.915 14.047 -6.449 1.00 0.00 H new ATOM 0 HG SER C 16 -4.752 16.045 -6.654 1.00 0.00 H new ATOM 2607 N PRO C 17 -5.819 10.874 -8.672 1.00 0.00 N ATOM 2608 CA PRO C 17 -6.798 9.807 -8.829 1.00 0.00 C ATOM 2609 C PRO C 17 -7.434 9.458 -7.479 1.00 0.00 C ATOM 2610 O PRO C 17 -6.887 9.770 -6.422 1.00 0.00 O ATOM 2611 CB PRO C 17 -6.011 8.625 -9.399 1.00 0.00 C ATOM 2612 CG PRO C 17 -4.628 8.831 -8.793 1.00 0.00 C ATOM 2613 CD PRO C 17 -4.475 10.346 -8.816 1.00 0.00 C ATOM 0 HA PRO C 17 -7.620 10.092 -9.486 1.00 0.00 H new ATOM 0 HB2 PRO C 17 -6.445 7.669 -9.106 1.00 0.00 H new ATOM 0 HB3 PRO C 17 -5.984 8.642 -10.489 1.00 0.00 H new ATOM 0 HG2 PRO C 17 -4.566 8.433 -7.780 1.00 0.00 H new ATOM 0 HG3 PRO C 17 -3.852 8.337 -9.377 1.00 0.00 H new ATOM 0 HD2 PRO C 17 -3.830 10.688 -8.006 1.00 0.00 H new ATOM 0 HD3 PRO C 17 -4.020 10.680 -9.748 1.00 0.00 H new HETATM 2621 N NH2 C 18 -8.597 8.805 -7.506 1.00 0.00 N TER 2624 NH2 C 18 CONECT 95 546 CONECT 122 792 CONECT 546 95 CONECT 792 122 CONECT 1274 1725 CONECT 1301 1971 CONECT 1725 1274 CONECT 1971 1301 CONECT 2359 2360 2361 2365 CONECT 2360 2359 CONECT 2361 2359 2362 2363 2364 CONECT 2362 2361 CONECT 2363 2361 CONECT 2364 2361 CONECT 2365 2359 CONECT 2452 2469 CONECT 2462 2463 2464 2481 CONECT 2463 2462 CONECT 2464 2462 2465 2470 2471 CONECT 2465 2464 2466 2472 2473 CONECT 2466 2465 2467 2474 2475 CONECT 2467 2466 2468 2476 2477 CONECT 2468 2467 2469 2478 2479 CONECT 2469 2452 2468 2480 CONECT 2470 2464 CONECT 2471 2464 CONECT 2472 2465 CONECT 2473 2465 CONECT 2474 2466 CONECT 2475 2466 CONECT 2476 2467 CONECT 2477 2467 CONECT 2478 2468 CONECT 2479 2468 CONECT 2480 2469 CONECT 2481 2462 CONECT 2609 2621 CONECT 2621 2609 2622 2623 CONECT 2622 2621 CONECT 2623 2621 END