USER MOD reduce.3.24.130724 H: found=0, std=0, add=1224, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1220 hydrogens (0 hets) HEADER DNA-BINDING PROTEIN 03-AUG-96 1PFS TITLE SOLUTION NMR STRUCTURE OF THE SINGLE-STRANDED DNA BINDING TITLE 2 PROTEIN OF THE FILAMENTOUS PSEUDOMONAS PHAGE PF3, TITLE 3 MINIMIZED AVERAGE STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: PF3 SINGLE-STRANDED DNA BINDING PROTEIN; COMPND 3 CHAIN: A, B; COMPND 4 SYNONYM: PF3 SSDBP; COMPND 5 ENGINEERED: YES; COMPND 6 MUTATION: YES; COMPND 7 OTHER_DETAILS: DIMERIC SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PHAGE PF3; SOURCE 3 ORGANISM_TAXID: 10872; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 6 EXPRESSION_SYSTEM_STRAIN: MC4100; SOURCE 7 EXPRESSION_SYSTEM_PLASMID: PPF3VF36H KEYWDS DNA-BINDING PROTEIN, VIRAL, BACTERIOPHAGE PF3, SINGLE- KEYWDS 2 STRANDED DNA EXPDTA SOLUTION NMR AUTHOR R.H.A.FOLMER,M.NILGES,R.N.H.KONINGS,C.W.HILBERS REVDAT 3 24-FEB-09 1PFS 1 VERSN REVDAT 2 01-APR-03 1PFS 1 JRNL REVDAT 1 12-FEB-97 1PFS 0 JRNL AUTH R.H.FOLMER,M.NILGES,R.N.KONINGS,C.W.HILBERS JRNL TITL SOLUTION STRUCTURE OF THE SINGLE-STRANDED DNA JRNL TITL 2 BINDING PROTEIN OF THE FILAMENTOUS PSEUDOMONAS JRNL TITL 3 PHAGE PF3: SIMILARITY TO OTHER PROTEINS BINDING TO JRNL TITL 4 SINGLE-STRANDED NUCLEIC ACIDS. JRNL REF EMBO J. V. 14 4132 1995 JRNL REFN ISSN 0261-4189 JRNL PMID 7556054 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH R.H.FOLMER,P.J.FOLKERS,A.KAAN,A.J.JONKER,J.M.AELEN, REMARK 1 AUTH 2 R.N.KONINGS,C.W.HILBERS REMARK 1 TITL SECONDARY STRUCTURE OF THE SINGLE-STRANDED DNA REMARK 1 TITL 2 BINDING PROTEIN ENCODED BY FILAMENTOUS PHAGE PF3 REMARK 1 TITL 3 AS DETERMINED BY NMR REMARK 1 REF EUR.J.BIOCHEM. V. 224 663 1994 REMARK 1 REFN ISSN 0014-2956 REMARK 1 REFERENCE 2 REMARK 1 AUTH R.G.LUITEN,D.G.PUTTERMAN,J.G.SCHOENMAKERS, REMARK 1 AUTH 2 R.N.KONINGS,L.A.DAY REMARK 1 TITL NUCLEOTIDE SEQUENCE OF THE GENOME OF PF3, AN REMARK 1 TITL 2 INC(P)-1 PLASMID-SPECIFIC FILAMENTOUS REMARK 1 TITL 3 BACTERIOPHAGE OF PSEUDOMONAS AERUGINOSA REMARK 1 REF J.VIROL. V. 56 268 1985 REMARK 1 REFN ISSN 0022-538X REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.1 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: 30 STRUCTURES WERE CALCULATED USING REMARK 3 THE GEOMETRIC FORCE FIELD 'PARALLDHG.PRO'. THESE WERE REMARK 3 SUBSEQUENTLY REFINED IN A 7 ANGSTROM SHELL OF WATER MOLECULES REMARK 3 USING THE OPLS FORCE FIELD (TOPOPLSXX.PRO) AND AVERAGED. THIS REMARK 3 AVERAGED STRUCTURE WAS ENERGY MINIMIZED USING AGAIN ' REMARK 3 PARALLDHG.PRO'. THE PROGRAM WAS MODIFIED TO USE FLOATING REMARK 3 CHIRALITY. CHIRAL-CENTER RESTRAINT (A**3) : 0.352 REMARK 4 REMARK 4 1PFS 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) : 300 REMARK 210 PH : 4.4 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 13C- AND 15N-EDITED 3D NOESY, REMARK 210 HMQC-J, HAHB, HACAHB-COSY, REMARK 210 HNHB, 15N SPIN-ECHO HSQC REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ, 600 MHZ REMARK 210 SPECTROMETER MODEL : UNITY+ 500/BRUKER AMX600 REMARK 210 SPECTROMETER MANUFACTURER : VARIAN/BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : NULL REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 80 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : OVERALL ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: 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 ASN A 63 24.40 49.08 REMARK 500 ASN B 63 24.42 49.05 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 12 0.31 SIDE_CHAIN REMARK 500 ARG A 58 0.29 SIDE_CHAIN REMARK 500 ARG A 77 0.30 SIDE_CHAIN REMARK 500 ARG B 12 0.31 SIDE_CHAIN REMARK 500 ARG B 58 0.28 SIDE_CHAIN REMARK 500 ARG B 77 0.30 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL DBREF 1PFS A 1 78 UNP P03672 VHED_BPPF3 1 78 DBREF 1PFS B 1 78 UNP P03672 VHED_BPPF3 1 78 SEQRES 1 A 78 MET ASN ILE GLN ILE THR PHE THR ASP SER VAL ARG GLN SEQRES 2 A 78 GLY THR SER ALA LYS GLY ASN PRO TYR THR PHE GLN GLU SEQRES 3 A 78 GLY PHE LEU HIS LEU GLU ASP LYS PRO HIS PRO LEU GLN SEQRES 4 A 78 CYS GLN PHE PHE VAL GLU SER VAL ILE PRO ALA GLY SER SEQRES 5 A 78 TYR GLN VAL PRO TYR ARG ILE ASN VAL ASN ASN GLY ARG SEQRES 6 A 78 PRO GLU LEU ALA PHE ASP PHE LYS ALA MET LYS ARG ALA SEQRES 1 B 78 MET ASN ILE GLN ILE THR PHE THR ASP SER VAL ARG GLN SEQRES 2 B 78 GLY THR SER ALA LYS GLY ASN PRO TYR THR PHE GLN GLU SEQRES 3 B 78 GLY PHE LEU HIS LEU GLU ASP LYS PRO HIS PRO LEU GLN SEQRES 4 B 78 CYS GLN PHE PHE VAL GLU SER VAL ILE PRO ALA GLY SER SEQRES 5 B 78 TYR GLN VAL PRO TYR ARG ILE ASN VAL ASN ASN GLY ARG SEQRES 6 B 78 PRO GLU LEU ALA PHE ASP PHE LYS ALA MET LYS ARG ALA SHEET 1 A 5 LEU A 38 PHE A 43 0 SHEET 2 A 5 PHE A 24 LEU A 29 -1 N LEU A 29 O LEU A 38 SHEET 3 A 5 ASN A 2 PHE A 7 -1 N THR A 6 O PHE A 28 SHEET 4 A 5 GLY A 51 ASN A 62 -1 N VAL A 55 O ILE A 3 SHEET 5 A 5 LYS A 76 ARG A 77 -1 N LYS A 76 O GLN A 54 SHEET 1 B 2 VAL A 11 THR A 15 0 SHEET 2 B 2 PRO A 21 GLN A 25 -1 N PHE A 24 O ARG A 12 SHEET 1 C 2 TYR A 57 ASN A 62 0 SHEET 2 C 2 ARG A 65 ASP A 71 -1 O ARG A 65 N ASN A 62 SHEET 1 D 5 LEU B 38 PHE B 43 0 SHEET 2 D 5 PHE B 24 LEU B 29 -1 N LEU B 29 O LEU B 38 SHEET 3 D 5 ASN B 2 PHE B 7 -1 N THR B 6 O PHE B 28 SHEET 4 D 5 GLY B 51 ASN B 62 -1 N VAL B 55 O ILE B 3 SHEET 5 D 5 LYS B 76 ARG B 77 -1 N LYS B 76 O GLN B 54 SHEET 1 E 2 VAL B 11 THR B 15 0 SHEET 2 E 2 PRO B 21 GLN B 25 -1 N PHE B 24 O ARG B 12 SHEET 1 F 2 TYR B 57 ASN B 62 0 SHEET 2 F 2 ARG B 65 ASP B 71 -1 O ARG B 65 N ASN B 62 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 57 TYR OH : rot 153:sc= -0.816 USER MOD Set 1.2: B 57 TYR OH : rot 151:sc= -0.797 USER MOD Set 2.1: B 2 ASN : amide:sc= -0.0596 K(o=-0.52,f=-1) USER MOD Set 2.2: B 54 GLN : amide:sc= -0.465 X(o=-0.52,f=-0.44) USER MOD Set 3.1: B 6 THR OG1 : rot 111:sc= 0.763 USER MOD Set 3.2: B 30 HIS : no HE2:sc= 0.592 K(o=1.4,f=-1.5) USER MOD Set 4.1: A 6 THR OG1 : rot 111:sc= 0.756 USER MOD Set 4.2: A 30 HIS : no HE2:sc= 0.592 K(o=1.3,f=-1.5) USER MOD Set 5.1: A 2 ASN : amide:sc= -0.11 K(o=-0.59,f=-1.1) USER MOD Set 5.2: A 54 GLN : amide:sc= -0.479 X(o=-0.59,f=-0.46) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -169:sc= 0 (180deg=-0.129) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.006) USER MOD Single : A 8 THR OG1 : rot -75:sc= -1.27 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.103 K(o=-0.1,f=-0.96) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.012 USER MOD Single : A 16 SER OG : rot -66:sc= 0.217 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc=-0.00486 K(o=-0.0049,f=-0.85) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 1.9 K(o=1.9,f=-9!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= 0.429 K(o=0.43,f=-1.9!) USER MOD Single : A 40 CYS SG : rot 50:sc= -6.86! USER MOD Single : A 41 GLN : amide:sc= -0.206 K(o=-0.21,f=-1.5!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 82:sc= 0.336 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.54 X(o=-0.54,f=-0.17) USER MOD Single : A 62 ASN : amide:sc=-0.00887 X(o=-0.0089,f=-0.32) USER MOD Single : A 63 ASN : amide:sc= -1.27 K(o=-1.3,f=-1.9) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0112) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -169:sc= 0 (180deg=-0.129) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : B 8 THR OG1 : rot -74:sc= -1.28 USER MOD Single : B 10 SER OG : rot 180:sc= 0 USER MOD Single : B 13 GLN : amide:sc= -0.144 K(o=-0.14,f=-1) USER MOD Single : B 15 THR OG1 : rot 180:sc= 0.0137 USER MOD Single : B 16 SER OG : rot -66:sc= -0.13 USER MOD Single : B 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 20 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : B 22 TYR OH : rot 180:sc= 0 USER MOD Single : B 23 THR OG1 : rot 180:sc= 0 USER MOD Single : B 25 GLN : amide:sc= 1.94 K(o=1.9,f=-8.9!) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 39 GLN : amide:sc= 0.397 K(o=0.4,f=-1.9!) USER MOD Single : B 40 CYS SG : rot 48:sc= -6.8! USER MOD Single : B 41 GLN : amide:sc= -0.205 K(o=-0.2,f=-1.5!) USER MOD Single : B 46 SER OG : rot 180:sc= 0 USER MOD Single : B 52 SER OG : rot 81:sc= 0.333 USER MOD Single : B 53 TYR OH : rot 180:sc= 0 USER MOD Single : B 60 ASN : amide:sc= -0.512 X(o=-0.51,f=-0.18) USER MOD Single : B 62 ASN : amide:sc= -0.0157 X(o=-0.016,f=-0.35) USER MOD Single : B 63 ASN : amide:sc= -1.02 K(o=-1,f=-1.9) USER MOD Single : B 73 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00184) USER MOD Single : B 75 MET CE :methyl 153:sc= 0 (180deg=-0.00198) USER MOD Single : B 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.256 20.430 -0.358 1.00 0.84 N ATOM 2 CA MET A 1 4.324 19.646 0.505 1.00 0.80 C ATOM 3 C MET A 1 5.094 18.956 1.624 1.00 0.73 C ATOM 4 O MET A 1 6.026 18.191 1.373 1.00 0.70 O ATOM 5 CB MET A 1 3.570 18.593 -0.306 1.00 0.83 C ATOM 6 CG MET A 1 2.849 19.202 -1.513 1.00 0.92 C ATOM 7 SD MET A 1 1.617 18.085 -2.201 1.00 1.09 S ATOM 8 CE MET A 1 2.674 16.926 -3.087 1.00 1.02 C ATOM 0 H1 MET A 1 4.707 21.040 -0.997 1.00 0.84 H new ATOM 0 H2 MET A 1 5.870 21.019 0.240 1.00 0.84 H new ATOM 0 H3 MET A 1 5.841 19.778 -0.919 1.00 0.84 H new ATOM 0 HA MET A 1 3.603 20.345 0.929 1.00 0.80 H new ATOM 0 HB2 MET A 1 4.270 17.831 -0.649 1.00 0.83 H new ATOM 0 HB3 MET A 1 2.844 18.094 0.335 1.00 0.83 H new ATOM 0 HG2 MET A 1 2.367 20.133 -1.215 1.00 0.92 H new ATOM 0 HG3 MET A 1 3.579 19.453 -2.282 1.00 0.92 H new ATOM 0 HE1 MET A 1 2.058 16.168 -3.570 1.00 1.02 H new ATOM 0 HE2 MET A 1 3.249 17.462 -3.842 1.00 1.02 H new ATOM 0 HE3 MET A 1 3.356 16.446 -2.385 1.00 1.02 H new ATOM 20 N ASN A 2 4.693 19.228 2.860 1.00 0.74 N ATOM 21 CA ASN A 2 5.338 18.632 4.024 1.00 0.68 C ATOM 22 C ASN A 2 4.305 18.350 5.113 1.00 0.64 C ATOM 23 O ASN A 2 3.184 18.854 5.059 1.00 0.67 O ATOM 24 CB ASN A 2 6.440 19.567 4.540 1.00 0.74 C ATOM 25 CG ASN A 2 5.855 20.733 5.324 1.00 0.86 C ATOM 26 OD1 ASN A 2 6.082 20.863 6.527 1.00 1.62 O ATOM 27 ND2 ASN A 2 5.102 21.580 4.641 1.00 1.23 N ATOM 0 H ASN A 2 3.923 19.859 3.082 1.00 0.74 H new ATOM 0 HA ASN A 2 5.794 17.684 3.738 1.00 0.68 H new ATOM 0 HB2 ASN A 2 7.127 19.007 5.175 1.00 0.74 H new ATOM 0 HB3 ASN A 2 7.021 19.946 3.699 1.00 0.74 H new ATOM 0 HD21 ASN A 2 4.682 22.382 5.111 1.00 1.23 H new ATOM 0 HD22 ASN A 2 4.942 21.431 3.645 1.00 1.23 H new ATOM 34 N ILE A 3 4.688 17.547 6.099 1.00 0.58 N ATOM 35 CA ILE A 3 3.790 17.207 7.198 1.00 0.54 C ATOM 36 C ILE A 3 4.585 16.927 8.467 1.00 0.52 C ATOM 37 O ILE A 3 5.695 16.397 8.412 1.00 0.51 O ATOM 38 CB ILE A 3 2.944 15.992 6.825 1.00 0.49 C ATOM 39 CG1 ILE A 3 1.876 15.741 7.888 1.00 0.49 C ATOM 40 CG2 ILE A 3 3.817 14.752 6.640 1.00 0.43 C ATOM 41 CD1 ILE A 3 0.932 14.618 7.463 1.00 0.46 C ATOM 0 H ILE A 3 5.612 17.120 6.161 1.00 0.58 H new ATOM 0 HA ILE A 3 3.129 18.053 7.384 1.00 0.54 H new ATOM 0 HB ILE A 3 2.450 16.201 5.876 1.00 0.49 H new ATOM 0 HG12 ILE A 3 2.353 15.482 8.833 1.00 0.49 H new ATOM 0 HG13 ILE A 3 1.306 16.654 8.059 1.00 0.49 H new ATOM 0 HG21 ILE A 3 3.189 13.901 6.375 1.00 0.43 H new ATOM 0 HG22 ILE A 3 4.540 14.931 5.844 1.00 0.43 H new ATOM 0 HG23 ILE A 3 4.346 14.537 7.569 1.00 0.43 H new ATOM 0 HD11 ILE A 3 0.182 14.460 8.238 1.00 0.46 H new ATOM 0 HD12 ILE A 3 0.438 14.891 6.530 1.00 0.46 H new ATOM 0 HD13 ILE A 3 1.501 13.700 7.317 1.00 0.46 H new ATOM 53 N GLN A 4 4.014 17.292 9.609 1.00 0.53 N ATOM 54 CA GLN A 4 4.672 17.083 10.894 1.00 0.53 C ATOM 55 C GLN A 4 4.555 15.626 11.324 1.00 0.47 C ATOM 56 O GLN A 4 3.457 15.072 11.388 1.00 0.45 O ATOM 57 CB GLN A 4 4.048 17.989 11.950 1.00 0.59 C ATOM 58 CG GLN A 4 4.871 17.993 13.235 1.00 0.63 C ATOM 59 CD GLN A 4 4.402 19.115 14.150 1.00 0.71 C ATOM 60 OE1 GLN A 4 5.119 20.091 14.370 1.00 1.07 O ATOM 61 NE2 GLN A 4 3.194 18.976 14.682 1.00 1.07 N ATOM 0 H GLN A 4 3.097 17.734 9.672 1.00 0.53 H new ATOM 0 HA GLN A 4 5.728 17.330 10.788 1.00 0.53 H new ATOM 0 HB2 GLN A 4 3.972 19.005 11.562 1.00 0.59 H new ATOM 0 HB3 GLN A 4 3.034 17.654 12.166 1.00 0.59 H new ATOM 0 HG2 GLN A 4 4.773 17.033 13.743 1.00 0.63 H new ATOM 0 HG3 GLN A 4 5.927 18.122 13.000 1.00 0.63 H new ATOM 0 HE21 GLN A 4 2.636 18.149 14.470 1.00 1.07 H new ATOM 0 HE22 GLN A 4 2.824 19.696 15.302 1.00 1.07 H new ATOM 70 N ILE A 5 5.695 15.011 11.619 1.00 0.45 N ATOM 71 CA ILE A 5 5.731 13.615 12.047 1.00 0.40 C ATOM 72 C ILE A 5 6.563 13.480 13.318 1.00 0.43 C ATOM 73 O ILE A 5 7.765 13.745 13.315 1.00 0.46 O ATOM 74 CB ILE A 5 6.321 12.748 10.934 1.00 0.37 C ATOM 75 CG1 ILE A 5 5.410 12.788 9.709 1.00 0.35 C ATOM 76 CG2 ILE A 5 6.523 11.308 11.407 1.00 0.36 C ATOM 77 CD1 ILE A 5 5.975 11.964 8.556 1.00 0.35 C ATOM 0 H ILE A 5 6.610 15.458 11.570 1.00 0.45 H new ATOM 0 HA ILE A 5 4.716 13.279 12.257 1.00 0.40 H new ATOM 0 HB ILE A 5 7.298 13.149 10.664 1.00 0.37 H new ATOM 0 HG12 ILE A 5 4.424 12.410 9.977 1.00 0.35 H new ATOM 0 HG13 ILE A 5 5.279 13.821 9.387 1.00 0.35 H new ATOM 0 HG21 ILE A 5 6.944 10.714 10.596 1.00 0.36 H new ATOM 0 HG22 ILE A 5 7.206 11.296 12.257 1.00 0.36 H new ATOM 0 HG23 ILE A 5 5.564 10.885 11.706 1.00 0.36 H new ATOM 0 HD11 ILE A 5 5.298 12.018 7.704 1.00 0.35 H new ATOM 0 HD12 ILE A 5 6.950 12.359 8.270 1.00 0.35 H new ATOM 0 HD13 ILE A 5 6.082 10.925 8.869 1.00 0.35 H new ATOM 89 N THR A 6 5.919 13.055 14.399 1.00 0.45 N ATOM 90 CA THR A 6 6.605 12.870 15.675 1.00 0.49 C ATOM 91 C THR A 6 7.093 11.432 15.782 1.00 0.47 C ATOM 92 O THR A 6 6.304 10.515 16.006 1.00 0.48 O ATOM 93 CB THR A 6 5.661 13.202 16.827 1.00 0.56 C ATOM 94 OG1 THR A 6 5.124 14.504 16.651 1.00 0.59 O ATOM 95 CG2 THR A 6 6.384 13.114 18.168 1.00 0.62 C ATOM 0 H THR A 6 4.924 12.832 14.419 1.00 0.45 H new ATOM 0 HA THR A 6 7.463 13.541 15.729 1.00 0.49 H new ATOM 0 HB THR A 6 4.850 12.473 16.827 1.00 0.56 H new ATOM 0 HG1 THR A 6 4.169 14.438 16.440 1.00 0.59 H new ATOM 0 HG21 THR A 6 5.689 13.355 18.972 1.00 0.62 H new ATOM 0 HG22 THR A 6 6.766 12.103 18.310 1.00 0.62 H new ATOM 0 HG23 THR A 6 7.214 13.821 18.181 1.00 0.62 H new ATOM 103 N PHE A 7 8.396 11.234 15.600 1.00 0.46 N ATOM 104 CA PHE A 7 8.979 9.901 15.655 1.00 0.45 C ATOM 105 C PHE A 7 9.195 9.460 17.089 1.00 0.51 C ATOM 106 O PHE A 7 9.240 10.277 18.009 1.00 0.56 O ATOM 107 CB PHE A 7 10.308 9.882 14.910 1.00 0.44 C ATOM 108 CG PHE A 7 10.137 9.935 13.415 1.00 0.47 C ATOM 109 CD1 PHE A 7 9.430 8.937 12.767 1.00 0.55 C ATOM 110 CD2 PHE A 7 10.683 10.981 12.688 1.00 0.58 C ATOM 111 CE1 PHE A 7 9.269 8.982 11.394 1.00 0.69 C ATOM 112 CE2 PHE A 7 10.522 11.025 11.314 1.00 0.71 C ATOM 113 CZ PHE A 7 9.814 10.026 10.668 1.00 0.75 C ATOM 0 H PHE A 7 9.066 11.980 15.413 1.00 0.46 H new ATOM 0 HA PHE A 7 8.284 9.208 15.180 1.00 0.45 H new ATOM 0 HB2 PHE A 7 10.913 10.729 15.233 1.00 0.44 H new ATOM 0 HB3 PHE A 7 10.857 8.979 15.177 1.00 0.44 H new ATOM 0 HD1 PHE A 7 9.004 8.123 13.334 1.00 0.55 H new ATOM 0 HD2 PHE A 7 11.234 11.761 13.193 1.00 0.58 H new ATOM 0 HE1 PHE A 7 8.718 8.202 10.889 1.00 0.69 H new ATOM 0 HE2 PHE A 7 10.949 11.838 10.746 1.00 0.71 H new ATOM 0 HZ PHE A 7 9.687 10.062 9.596 1.00 0.75 H new ATOM 123 N THR A 8 9.340 8.156 17.266 1.00 0.53 N ATOM 124 CA THR A 8 9.569 7.580 18.582 1.00 0.62 C ATOM 125 C THR A 8 10.762 6.641 18.530 1.00 0.64 C ATOM 126 O THR A 8 11.388 6.476 17.481 1.00 0.60 O ATOM 127 CB THR A 8 8.330 6.831 19.056 1.00 0.64 C ATOM 128 OG1 THR A 8 8.078 5.721 18.210 1.00 0.65 O ATOM 129 CG2 THR A 8 7.116 7.754 19.085 1.00 0.65 C ATOM 0 H THR A 8 9.303 7.473 16.510 1.00 0.53 H new ATOM 0 HA THR A 8 9.778 8.383 19.289 1.00 0.62 H new ATOM 0 HB THR A 8 8.513 6.473 20.069 1.00 0.64 H new ATOM 0 HG1 THR A 8 7.700 6.035 17.362 1.00 0.65 H new ATOM 0 HG21 THR A 8 6.244 7.197 19.427 1.00 0.65 H new ATOM 0 HG22 THR A 8 7.306 8.584 19.766 1.00 0.65 H new ATOM 0 HG23 THR A 8 6.930 8.142 18.083 1.00 0.65 H new ATOM 137 N ASP A 9 11.080 6.030 19.664 1.00 0.72 N ATOM 138 CA ASP A 9 12.208 5.112 19.739 1.00 0.76 C ATOM 139 C ASP A 9 11.732 3.663 19.604 1.00 0.79 C ATOM 140 O ASP A 9 12.407 2.732 20.047 1.00 0.93 O ATOM 141 CB ASP A 9 12.972 5.347 21.053 1.00 0.85 C ATOM 142 CG ASP A 9 12.401 4.519 22.203 1.00 1.41 C ATOM 143 OD1 ASP A 9 11.405 4.958 22.814 1.00 2.38 O ATOM 144 OD2 ASP A 9 12.954 3.436 22.490 1.00 1.50 O ATOM 0 H ASP A 9 10.575 6.153 20.541 1.00 0.72 H new ATOM 0 HA ASP A 9 12.891 5.301 18.910 1.00 0.76 H new ATOM 0 HB2 ASP A 9 14.023 5.095 20.911 1.00 0.85 H new ATOM 0 HB3 ASP A 9 12.930 6.405 21.312 1.00 0.85 H new ATOM 149 N SER A 10 10.571 3.483 18.979 1.00 0.74 N ATOM 150 CA SER A 10 10.003 2.158 18.771 1.00 0.77 C ATOM 151 C SER A 10 10.266 1.704 17.346 1.00 0.72 C ATOM 152 O SER A 10 9.580 2.129 16.416 1.00 0.68 O ATOM 153 CB SER A 10 8.502 2.178 19.031 1.00 0.79 C ATOM 154 OG SER A 10 8.180 1.398 20.173 1.00 0.85 O ATOM 0 H SER A 10 10.004 4.245 18.607 1.00 0.74 H new ATOM 0 HA SER A 10 10.473 1.463 19.467 1.00 0.77 H new ATOM 0 HB2 SER A 10 8.167 3.205 19.180 1.00 0.79 H new ATOM 0 HB3 SER A 10 7.972 1.793 18.160 1.00 0.79 H new ATOM 0 HG SER A 10 7.212 1.424 20.325 1.00 0.85 H new ATOM 160 N VAL A 11 11.261 0.846 17.165 1.00 0.76 N ATOM 161 CA VAL A 11 11.587 0.364 15.832 1.00 0.74 C ATOM 162 C VAL A 11 11.462 -1.151 15.758 1.00 0.84 C ATOM 163 O VAL A 11 12.152 -1.882 16.467 1.00 0.93 O ATOM 164 CB VAL A 11 12.996 0.794 15.416 1.00 0.73 C ATOM 165 CG1 VAL A 11 13.108 0.789 13.896 1.00 0.71 C ATOM 166 CG2 VAL A 11 13.354 2.179 15.962 1.00 0.70 C ATOM 0 H VAL A 11 11.848 0.475 17.912 1.00 0.76 H new ATOM 0 HA VAL A 11 10.873 0.809 15.139 1.00 0.74 H new ATOM 0 HB VAL A 11 13.702 0.080 15.841 1.00 0.73 H new ATOM 0 HG11 VAL A 11 14.112 1.096 13.604 1.00 0.71 H new ATOM 0 HG12 VAL A 11 12.912 -0.215 13.520 1.00 0.71 H new ATOM 0 HG13 VAL A 11 12.380 1.483 13.475 1.00 0.71 H new ATOM 0 HG21 VAL A 11 14.362 2.446 15.644 1.00 0.70 H new ATOM 0 HG22 VAL A 11 12.646 2.915 15.580 1.00 0.70 H new ATOM 0 HG23 VAL A 11 13.309 2.163 17.051 1.00 0.70 H new ATOM 176 N ARG A 12 10.579 -1.610 14.879 1.00 0.85 N ATOM 177 CA ARG A 12 10.345 -3.032 14.677 1.00 0.95 C ATOM 178 C ARG A 12 11.287 -3.574 13.610 1.00 0.98 C ATOM 179 O ARG A 12 11.195 -3.204 12.440 1.00 0.95 O ATOM 180 CB ARG A 12 8.902 -3.260 14.243 1.00 0.97 C ATOM 181 CG ARG A 12 8.493 -4.715 14.458 1.00 1.15 C ATOM 182 CD ARG A 12 7.391 -4.864 15.513 1.00 1.74 C ATOM 183 NE ARG A 12 7.496 -3.824 16.535 1.00 2.31 N ATOM 184 CZ ARG A 12 6.419 -3.318 17.125 1.00 2.92 C ATOM 185 NH1 ARG A 12 5.721 -2.360 16.530 1.00 3.50 N ATOM 186 NH2 ARG A 12 6.036 -3.773 18.310 1.00 3.36 N ATOM 0 H ARG A 12 10.007 -1.007 14.288 1.00 0.85 H new ATOM 0 HA ARG A 12 10.531 -3.555 15.615 1.00 0.95 H new ATOM 0 HB2 ARG A 12 8.240 -2.604 14.809 1.00 0.97 H new ATOM 0 HB3 ARG A 12 8.788 -2.998 13.191 1.00 0.97 H new ATOM 0 HG2 ARG A 12 8.147 -5.135 13.514 1.00 1.15 H new ATOM 0 HG3 ARG A 12 9.365 -5.293 14.764 1.00 1.15 H new ATOM 0 HD2 ARG A 12 6.414 -4.809 15.033 1.00 1.74 H new ATOM 0 HD3 ARG A 12 7.461 -5.846 15.981 1.00 1.74 H new ATOM 0 HE ARG A 12 8.418 -3.479 16.801 1.00 2.31 H new ATOM 0 HH11 ARG A 12 6.011 -2.010 15.617 1.00 3.50 H new ATOM 0 HH12 ARG A 12 4.894 -1.973 16.986 1.00 3.50 H new ATOM 0 HH21 ARG A 12 6.569 -4.512 18.769 1.00 3.36 H new ATOM 0 HH22 ARG A 12 5.209 -3.384 18.763 1.00 3.36 H new ATOM 200 N GLN A 13 12.191 -4.452 14.023 1.00 1.07 N ATOM 201 CA GLN A 13 13.158 -5.053 13.108 1.00 1.13 C ATOM 202 C GLN A 13 12.880 -6.543 12.964 1.00 1.27 C ATOM 203 O GLN A 13 12.456 -7.193 13.919 1.00 1.38 O ATOM 204 CB GLN A 13 14.566 -4.842 13.646 1.00 1.16 C ATOM 205 CG GLN A 13 14.793 -3.378 14.005 1.00 1.05 C ATOM 206 CD GLN A 13 15.890 -3.246 15.050 1.00 1.42 C ATOM 207 OE1 GLN A 13 15.980 -4.048 15.977 1.00 2.14 O ATOM 208 NE2 GLN A 13 16.731 -2.231 14.895 1.00 1.89 N ATOM 0 H GLN A 13 12.277 -4.766 14.990 1.00 1.07 H new ATOM 0 HA GLN A 13 13.069 -4.580 12.130 1.00 1.13 H new ATOM 0 HB2 GLN A 13 14.721 -5.466 14.526 1.00 1.16 H new ATOM 0 HB3 GLN A 13 15.296 -5.156 12.900 1.00 1.16 H new ATOM 0 HG2 GLN A 13 15.066 -2.817 13.111 1.00 1.05 H new ATOM 0 HG3 GLN A 13 13.868 -2.943 14.384 1.00 1.05 H new ATOM 0 HE21 GLN A 13 16.618 -1.590 14.110 1.00 1.89 H new ATOM 0 HE22 GLN A 13 17.491 -2.092 15.561 1.00 1.89 H new ATOM 217 N GLY A 14 13.120 -7.091 11.777 1.00 1.29 N ATOM 218 CA GLY A 14 12.884 -8.515 11.551 1.00 1.43 C ATOM 219 C GLY A 14 13.040 -8.888 10.083 1.00 1.45 C ATOM 220 O GLY A 14 13.359 -8.045 9.244 1.00 1.37 O ATOM 0 H GLY A 14 13.472 -6.581 10.967 1.00 1.29 H new ATOM 0 HA2 GLY A 14 13.582 -9.099 12.151 1.00 1.43 H new ATOM 0 HA3 GLY A 14 11.880 -8.775 11.887 1.00 1.43 H new ATOM 224 N THR A 15 12.808 -10.165 9.790 1.00 1.60 N ATOM 225 CA THR A 15 12.912 -10.688 8.431 1.00 1.69 C ATOM 226 C THR A 15 11.523 -10.971 7.871 1.00 1.77 C ATOM 227 O THR A 15 10.616 -11.373 8.601 1.00 1.85 O ATOM 228 CB THR A 15 13.745 -11.977 8.427 1.00 1.84 C ATOM 229 OG1 THR A 15 14.034 -12.372 9.760 1.00 1.94 O ATOM 230 CG2 THR A 15 15.050 -11.806 7.643 1.00 1.98 C ATOM 0 H THR A 15 12.544 -10.864 10.485 1.00 1.60 H new ATOM 0 HA THR A 15 13.403 -9.943 7.805 1.00 1.69 H new ATOM 0 HB THR A 15 13.156 -12.750 7.934 1.00 1.84 H new ATOM 0 HG1 THR A 15 14.564 -13.196 9.749 1.00 1.94 H new ATOM 0 HG21 THR A 15 15.612 -12.740 7.663 1.00 1.98 H new ATOM 0 HG22 THR A 15 14.822 -11.542 6.610 1.00 1.98 H new ATOM 0 HG23 THR A 15 15.646 -11.014 8.097 1.00 1.98 H new ATOM 238 N SER A 16 11.363 -10.761 6.571 1.00 1.79 N ATOM 239 CA SER A 16 10.087 -10.995 5.907 1.00 1.92 C ATOM 240 C SER A 16 9.985 -12.445 5.465 1.00 2.13 C ATOM 241 O SER A 16 10.952 -13.200 5.552 1.00 2.18 O ATOM 242 CB SER A 16 9.958 -10.075 4.698 1.00 1.90 C ATOM 243 OG SER A 16 11.240 -9.701 4.219 1.00 2.06 O ATOM 0 H SER A 16 12.103 -10.428 5.954 1.00 1.79 H new ATOM 0 HA SER A 16 9.280 -10.783 6.608 1.00 1.92 H new ATOM 0 HB2 SER A 16 9.401 -10.579 3.908 1.00 1.90 H new ATOM 0 HB3 SER A 16 9.391 -9.185 4.970 1.00 1.90 H new ATOM 0 HG SER A 16 11.689 -9.142 4.887 1.00 2.06 H new ATOM 249 N ALA A 17 8.806 -12.832 4.993 1.00 2.27 N ATOM 250 CA ALA A 17 8.581 -14.202 4.533 1.00 2.48 C ATOM 251 C ALA A 17 9.562 -14.556 3.417 1.00 2.56 C ATOM 252 O ALA A 17 9.867 -15.728 3.199 1.00 2.71 O ATOM 253 CB ALA A 17 7.146 -14.377 4.032 1.00 2.64 C ATOM 0 H ALA A 17 7.992 -12.221 4.918 1.00 2.27 H new ATOM 0 HA ALA A 17 8.742 -14.872 5.377 1.00 2.48 H new ATOM 0 HB1 ALA A 17 7.001 -15.403 3.695 1.00 2.64 H new ATOM 0 HB2 ALA A 17 6.449 -14.159 4.841 1.00 2.64 H new ATOM 0 HB3 ALA A 17 6.964 -13.693 3.203 1.00 2.64 H new ATOM 259 N LYS A 18 10.054 -13.538 2.711 1.00 2.49 N ATOM 260 CA LYS A 18 11.000 -13.746 1.616 1.00 2.60 C ATOM 261 C LYS A 18 12.439 -13.780 2.131 1.00 2.51 C ATOM 262 O LYS A 18 13.384 -13.804 1.342 1.00 2.60 O ATOM 263 CB LYS A 18 10.849 -12.632 0.585 1.00 2.63 C ATOM 264 CG LYS A 18 9.414 -12.544 0.077 1.00 2.80 C ATOM 265 CD LYS A 18 9.013 -13.819 -0.660 1.00 3.32 C ATOM 266 CE LYS A 18 8.330 -13.497 -1.985 1.00 3.75 C ATOM 267 NZ LYS A 18 9.319 -13.048 -3.004 1.00 4.16 N ATOM 0 H LYS A 18 9.813 -12.561 2.878 1.00 2.49 H new ATOM 0 HA LYS A 18 10.779 -14.707 1.152 1.00 2.60 H new ATOM 0 HB2 LYS A 18 11.140 -11.680 1.029 1.00 2.63 H new ATOM 0 HB3 LYS A 18 11.524 -12.813 -0.252 1.00 2.63 H new ATOM 0 HG2 LYS A 18 8.738 -12.377 0.915 1.00 2.80 H new ATOM 0 HG3 LYS A 18 9.313 -11.688 -0.590 1.00 2.80 H new ATOM 0 HD2 LYS A 18 9.897 -14.430 -0.842 1.00 3.32 H new ATOM 0 HD3 LYS A 18 8.342 -14.408 -0.035 1.00 3.32 H new ATOM 0 HE2 LYS A 18 7.803 -14.379 -2.349 1.00 3.75 H new ATOM 0 HE3 LYS A 18 7.582 -12.719 -1.832 1.00 3.75 H new ATOM 0 HZ1 LYS A 18 8.827 -12.836 -3.895 1.00 4.16 H new ATOM 0 HZ2 LYS A 18 9.804 -12.193 -2.664 1.00 4.16 H new ATOM 0 HZ3 LYS A 18 10.018 -13.801 -3.165 1.00 4.16 H new ATOM 281 N GLY A 19 12.605 -13.788 3.452 1.00 2.38 N ATOM 282 CA GLY A 19 13.933 -13.825 4.056 1.00 2.34 C ATOM 283 C GLY A 19 14.622 -12.462 3.996 1.00 2.17 C ATOM 284 O GLY A 19 15.771 -12.328 4.416 1.00 2.15 O ATOM 0 H GLY A 19 11.837 -13.769 4.123 1.00 2.38 H new ATOM 0 HA2 GLY A 19 13.851 -14.145 5.095 1.00 2.34 H new ATOM 0 HA3 GLY A 19 14.546 -14.565 3.541 1.00 2.34 H new ATOM 288 N ASN A 20 13.929 -11.451 3.474 1.00 2.10 N ATOM 289 CA ASN A 20 14.504 -10.112 3.372 1.00 1.96 C ATOM 290 C ASN A 20 14.368 -9.362 4.693 1.00 1.75 C ATOM 291 O ASN A 20 13.371 -9.506 5.401 1.00 1.71 O ATOM 292 CB ASN A 20 13.819 -9.326 2.259 1.00 1.98 C ATOM 293 CG ASN A 20 14.186 -9.909 0.901 1.00 2.22 C ATOM 294 OD1 ASN A 20 13.818 -11.039 0.580 1.00 2.57 O ATOM 295 ND2 ASN A 20 14.915 -9.138 0.102 1.00 2.43 N ATOM 0 H ASN A 20 12.977 -11.533 3.118 1.00 2.10 H new ATOM 0 HA ASN A 20 15.564 -10.215 3.138 1.00 1.96 H new ATOM 0 HB2 ASN A 20 12.738 -9.355 2.395 1.00 1.98 H new ATOM 0 HB3 ASN A 20 14.118 -8.279 2.306 1.00 1.98 H new ATOM 0 HD21 ASN A 20 15.192 -9.476 -0.819 1.00 2.43 H new ATOM 0 HD22 ASN A 20 15.198 -8.208 0.410 1.00 2.43 H new ATOM 302 N PRO A 21 15.380 -8.547 5.038 1.00 1.67 N ATOM 303 CA PRO A 21 15.390 -7.762 6.277 1.00 1.51 C ATOM 304 C PRO A 21 14.619 -6.456 6.134 1.00 1.36 C ATOM 305 O PRO A 21 14.688 -5.793 5.098 1.00 1.41 O ATOM 306 CB PRO A 21 16.867 -7.488 6.518 1.00 1.57 C ATOM 307 CG PRO A 21 17.522 -7.563 5.172 1.00 1.70 C ATOM 308 CD PRO A 21 16.600 -8.327 4.248 1.00 1.78 C ATOM 0 HA PRO A 21 14.908 -8.291 7.099 1.00 1.51 H new ATOM 0 HB2 PRO A 21 17.014 -6.507 6.970 1.00 1.57 H new ATOM 0 HB3 PRO A 21 17.294 -8.221 7.202 1.00 1.57 H new ATOM 0 HG2 PRO A 21 17.709 -6.562 4.782 1.00 1.70 H new ATOM 0 HG3 PRO A 21 18.488 -8.062 5.245 1.00 1.70 H new ATOM 0 HD2 PRO A 21 16.388 -7.760 3.342 1.00 1.78 H new ATOM 0 HD3 PRO A 21 17.046 -9.272 3.936 1.00 1.78 H new ATOM 316 N TYR A 22 13.886 -6.088 7.179 1.00 1.24 N ATOM 317 CA TYR A 22 13.106 -4.856 7.166 1.00 1.11 C ATOM 318 C TYR A 22 13.257 -4.108 8.482 1.00 1.00 C ATOM 319 O TYR A 22 13.426 -4.714 9.542 1.00 1.05 O ATOM 320 CB TYR A 22 11.633 -5.166 6.915 1.00 1.16 C ATOM 321 CG TYR A 22 10.998 -5.956 8.031 1.00 1.21 C ATOM 322 CD1 TYR A 22 10.599 -5.319 9.194 1.00 1.14 C ATOM 323 CD2 TYR A 22 10.813 -7.320 7.894 1.00 1.37 C ATOM 324 CE1 TYR A 22 10.015 -6.047 10.217 1.00 1.24 C ATOM 325 CE2 TYR A 22 10.230 -8.047 8.918 1.00 1.45 C ATOM 326 CZ TYR A 22 9.834 -7.407 10.075 1.00 1.39 C ATOM 327 OH TYR A 22 9.253 -8.129 11.093 1.00 1.52 O ATOM 0 H TYR A 22 13.816 -6.624 8.044 1.00 1.24 H new ATOM 0 HA TYR A 22 13.482 -4.225 6.361 1.00 1.11 H new ATOM 0 HB2 TYR A 22 11.088 -4.231 6.784 1.00 1.16 H new ATOM 0 HB3 TYR A 22 11.539 -5.724 5.983 1.00 1.16 H new ATOM 0 HD1 TYR A 22 10.743 -4.254 9.303 1.00 1.14 H new ATOM 0 HD2 TYR A 22 11.124 -7.818 6.988 1.00 1.37 H new ATOM 0 HE1 TYR A 22 9.702 -5.551 11.124 1.00 1.24 H new ATOM 0 HE2 TYR A 22 10.085 -9.112 8.812 1.00 1.45 H new ATOM 0 HH TYR A 22 9.197 -9.073 10.834 1.00 1.52 H new ATOM 337 N THR A 23 13.192 -2.785 8.399 1.00 0.90 N ATOM 338 CA THR A 23 13.316 -1.929 9.571 1.00 0.82 C ATOM 339 C THR A 23 12.148 -0.962 9.635 1.00 0.74 C ATOM 340 O THR A 23 12.146 0.073 8.968 1.00 0.70 O ATOM 341 CB THR A 23 14.602 -1.133 9.495 1.00 0.82 C ATOM 342 OG1 THR A 23 15.701 -1.993 9.233 1.00 0.96 O ATOM 343 CG2 THR A 23 14.831 -0.353 10.782 1.00 0.80 C ATOM 0 H THR A 23 13.053 -2.279 7.524 1.00 0.90 H new ATOM 0 HA THR A 23 13.322 -2.559 10.461 1.00 0.82 H new ATOM 0 HB THR A 23 14.515 -0.420 8.675 1.00 0.82 H new ATOM 0 HG1 THR A 23 16.525 -1.465 9.185 1.00 0.96 H new ATOM 0 HG21 THR A 23 15.760 0.211 10.705 1.00 0.80 H new ATOM 0 HG22 THR A 23 14.001 0.335 10.943 1.00 0.80 H new ATOM 0 HG23 THR A 23 14.896 -1.046 11.621 1.00 0.80 H new ATOM 351 N PHE A 24 11.166 -1.296 10.445 1.00 0.75 N ATOM 352 CA PHE A 24 9.991 -0.451 10.610 1.00 0.70 C ATOM 353 C PHE A 24 10.131 0.386 11.869 1.00 0.65 C ATOM 354 O PHE A 24 10.372 -0.141 12.945 1.00 0.71 O ATOM 355 CB PHE A 24 8.724 -1.302 10.689 1.00 0.76 C ATOM 356 CG PHE A 24 8.225 -1.730 9.330 1.00 0.83 C ATOM 357 CD1 PHE A 24 7.794 -0.779 8.418 1.00 0.84 C ATOM 358 CD2 PHE A 24 8.197 -3.074 8.991 1.00 1.13 C ATOM 359 CE1 PHE A 24 7.336 -1.171 7.171 1.00 0.93 C ATOM 360 CE2 PHE A 24 7.739 -3.465 7.743 1.00 1.26 C ATOM 361 CZ PHE A 24 7.309 -2.513 6.833 1.00 1.08 C ATOM 0 H PHE A 24 11.154 -2.149 11.004 1.00 0.75 H new ATOM 0 HA PHE A 24 9.912 0.208 9.746 1.00 0.70 H new ATOM 0 HB2 PHE A 24 8.922 -2.187 11.294 1.00 0.76 H new ATOM 0 HB3 PHE A 24 7.943 -0.737 11.197 1.00 0.76 H new ATOM 0 HD1 PHE A 24 7.815 0.268 8.680 1.00 0.84 H new ATOM 0 HD2 PHE A 24 8.532 -3.817 9.700 1.00 1.13 H new ATOM 0 HE1 PHE A 24 7.000 -0.429 6.462 1.00 0.93 H new ATOM 0 HE2 PHE A 24 7.717 -4.512 7.480 1.00 1.26 H new ATOM 0 HZ PHE A 24 6.953 -2.818 5.860 1.00 1.08 H new ATOM 371 N GLN A 25 9.980 1.693 11.734 1.00 0.59 N ATOM 372 CA GLN A 25 10.094 2.587 12.880 1.00 0.55 C ATOM 373 C GLN A 25 8.754 3.243 13.172 1.00 0.53 C ATOM 374 O GLN A 25 7.997 3.560 12.255 1.00 0.52 O ATOM 375 CB GLN A 25 11.151 3.653 12.619 1.00 0.51 C ATOM 376 CG GLN A 25 11.282 4.584 13.817 1.00 0.52 C ATOM 377 CD GLN A 25 12.555 5.414 13.714 1.00 0.55 C ATOM 378 OE1 GLN A 25 13.344 5.247 12.783 1.00 0.59 O ATOM 379 NE2 GLN A 25 12.754 6.313 14.671 1.00 0.70 N ATOM 0 H GLN A 25 9.779 2.159 10.849 1.00 0.59 H new ATOM 0 HA GLN A 25 10.395 2.000 13.747 1.00 0.55 H new ATOM 0 HB2 GLN A 25 12.111 3.178 12.414 1.00 0.51 H new ATOM 0 HB3 GLN A 25 10.884 4.228 11.732 1.00 0.51 H new ATOM 0 HG2 GLN A 25 10.415 5.243 13.869 1.00 0.52 H new ATOM 0 HG3 GLN A 25 11.295 4.001 14.738 1.00 0.52 H new ATOM 0 HE21 GLN A 25 12.073 6.416 15.423 1.00 0.70 H new ATOM 0 HE22 GLN A 25 13.588 6.900 14.654 1.00 0.70 H new ATOM 388 N GLU A 26 8.461 3.444 14.454 1.00 0.53 N ATOM 389 CA GLU A 26 7.202 4.063 14.851 1.00 0.53 C ATOM 390 C GLU A 26 7.291 5.572 14.742 1.00 0.48 C ATOM 391 O GLU A 26 8.373 6.160 14.821 1.00 0.50 O ATOM 392 CB GLU A 26 6.827 3.685 16.280 1.00 0.59 C ATOM 393 CG GLU A 26 5.515 4.349 16.700 1.00 0.68 C ATOM 394 CD GLU A 26 4.958 3.681 17.950 1.00 0.97 C ATOM 395 OE1 GLU A 26 4.400 2.569 17.833 1.00 1.21 O ATOM 396 OE2 GLU A 26 5.081 4.269 19.044 1.00 1.26 O ATOM 0 H GLU A 26 9.073 3.189 15.229 1.00 0.53 H new ATOM 0 HA GLU A 26 6.431 3.694 14.175 1.00 0.53 H new ATOM 0 HB2 GLU A 26 6.732 2.602 16.360 1.00 0.59 H new ATOM 0 HB3 GLU A 26 7.624 3.986 16.960 1.00 0.59 H new ATOM 0 HG2 GLU A 26 5.681 5.409 16.890 1.00 0.68 H new ATOM 0 HG3 GLU A 26 4.790 4.280 15.889 1.00 0.68 H new ATOM 403 N GLY A 27 6.136 6.189 14.573 1.00 0.45 N ATOM 404 CA GLY A 27 6.052 7.642 14.458 1.00 0.43 C ATOM 405 C GLY A 27 4.602 8.105 14.427 1.00 0.45 C ATOM 406 O GLY A 27 3.734 7.423 13.884 1.00 0.51 O ATOM 0 H GLY A 27 5.238 5.709 14.512 1.00 0.45 H new ATOM 0 HA2 GLY A 27 6.568 8.107 15.298 1.00 0.43 H new ATOM 0 HA3 GLY A 27 6.561 7.968 13.551 1.00 0.43 H new ATOM 410 N PHE A 28 4.349 9.274 15.010 1.00 0.46 N ATOM 411 CA PHE A 28 3.005 9.838 15.049 1.00 0.48 C ATOM 412 C PHE A 28 2.822 10.841 13.915 1.00 0.44 C ATOM 413 O PHE A 28 3.719 11.633 13.616 1.00 0.43 O ATOM 414 CB PHE A 28 2.759 10.508 16.397 1.00 0.55 C ATOM 415 CG PHE A 28 2.301 9.536 17.457 1.00 0.65 C ATOM 416 CD1 PHE A 28 0.973 9.146 17.516 1.00 1.10 C ATOM 417 CD2 PHE A 28 3.209 9.035 18.375 1.00 0.90 C ATOM 418 CE1 PHE A 28 0.553 8.257 18.491 1.00 1.21 C ATOM 419 CE2 PHE A 28 2.789 8.146 19.351 1.00 0.96 C ATOM 420 CZ PHE A 28 1.461 7.757 19.409 1.00 0.89 C ATOM 0 H PHE A 28 5.060 9.849 15.462 1.00 0.46 H new ATOM 0 HA PHE A 28 2.280 9.034 14.921 1.00 0.48 H new ATOM 0 HB2 PHE A 28 3.676 10.995 16.729 1.00 0.55 H new ATOM 0 HB3 PHE A 28 2.008 11.289 16.278 1.00 0.55 H new ATOM 0 HD1 PHE A 28 0.264 9.536 16.800 1.00 1.10 H new ATOM 0 HD2 PHE A 28 4.245 9.337 18.330 1.00 0.90 H new ATOM 0 HE1 PHE A 28 -0.483 7.954 18.535 1.00 1.21 H new ATOM 0 HE2 PHE A 28 3.497 7.756 20.067 1.00 0.96 H new ATOM 0 HZ PHE A 28 1.134 7.064 20.170 1.00 0.89 H new ATOM 430 N LEU A 29 1.660 10.780 13.274 1.00 0.45 N ATOM 431 CA LEU A 29 1.338 11.654 12.148 1.00 0.44 C ATOM 432 C LEU A 29 0.373 12.757 12.569 1.00 0.46 C ATOM 433 O LEU A 29 -0.530 12.534 13.377 1.00 0.49 O ATOM 434 CB LEU A 29 0.708 10.804 11.052 1.00 0.51 C ATOM 435 CG LEU A 29 1.320 11.057 9.681 1.00 0.52 C ATOM 436 CD1 LEU A 29 2.424 10.047 9.404 1.00 0.65 C ATOM 437 CD2 LEU A 29 0.254 10.949 8.601 1.00 0.91 C ATOM 0 H LEU A 29 0.916 10.126 13.518 1.00 0.45 H new ATOM 0 HA LEU A 29 2.249 12.131 11.787 1.00 0.44 H new ATOM 0 HB2 LEU A 29 0.821 9.750 11.306 1.00 0.51 H new ATOM 0 HB3 LEU A 29 -0.362 11.009 11.010 1.00 0.51 H new ATOM 0 HG LEU A 29 1.741 12.062 9.671 1.00 0.52 H new ATOM 0 HD11 LEU A 29 2.854 10.238 8.421 1.00 0.65 H new ATOM 0 HD12 LEU A 29 3.200 10.139 10.164 1.00 0.65 H new ATOM 0 HD13 LEU A 29 2.010 9.039 9.429 1.00 0.65 H new ATOM 0 HD21 LEU A 29 0.705 11.132 7.625 1.00 0.91 H new ATOM 0 HD22 LEU A 29 -0.181 9.950 8.618 1.00 0.91 H new ATOM 0 HD23 LEU A 29 -0.526 11.688 8.785 1.00 0.91 H new ATOM 449 N HIS A 30 0.569 13.949 12.013 1.00 0.48 N ATOM 450 CA HIS A 30 -0.277 15.092 12.321 1.00 0.53 C ATOM 451 C HIS A 30 -1.008 15.558 11.068 1.00 0.60 C ATOM 452 O HIS A 30 -0.381 15.961 10.087 1.00 0.66 O ATOM 453 CB HIS A 30 0.580 16.219 12.874 1.00 0.59 C ATOM 454 CG HIS A 30 1.144 15.910 14.225 1.00 0.59 C ATOM 455 ND1 HIS A 30 0.604 16.382 15.393 1.00 0.70 N ATOM 456 CD2 HIS A 30 2.215 15.169 14.610 1.00 0.56 C ATOM 457 CE1 HIS A 30 1.291 15.967 16.432 1.00 0.73 C ATOM 458 NE2 HIS A 30 2.289 15.218 15.990 1.00 0.64 N ATOM 0 H HIS A 30 1.312 14.147 11.343 1.00 0.48 H new ATOM 0 HA HIS A 30 -1.017 14.801 13.066 1.00 0.53 H new ATOM 0 HB2 HIS A 30 1.397 16.421 12.182 1.00 0.59 H new ATOM 0 HB3 HIS A 30 -0.018 17.128 12.934 1.00 0.59 H new ATOM 0 HD1 HIS A 30 -0.223 16.977 15.448 1.00 0.70 H new ATOM 0 HD2 HIS A 30 2.889 14.636 13.955 1.00 0.56 H new ATOM 0 HE1 HIS A 30 1.079 16.196 17.466 1.00 0.73 H new ATOM 466 N LEU A 31 -2.335 15.494 11.099 1.00 0.67 N ATOM 467 CA LEU A 31 -3.145 15.902 9.957 1.00 0.81 C ATOM 468 C LEU A 31 -3.966 17.143 10.288 1.00 0.93 C ATOM 469 O LEU A 31 -4.512 17.269 11.384 1.00 0.92 O ATOM 470 CB LEU A 31 -4.052 14.755 9.535 1.00 0.84 C ATOM 471 CG LEU A 31 -3.535 14.094 8.262 1.00 1.06 C ATOM 472 CD1 LEU A 31 -2.248 13.328 8.543 1.00 0.89 C ATOM 473 CD2 LEU A 31 -4.593 13.170 7.671 1.00 1.63 C ATOM 0 H LEU A 31 -2.872 15.164 11.901 1.00 0.67 H new ATOM 0 HA LEU A 31 -2.482 16.153 9.129 1.00 0.81 H new ATOM 0 HB2 LEU A 31 -4.109 14.017 10.335 1.00 0.84 H new ATOM 0 HB3 LEU A 31 -5.064 15.127 9.372 1.00 0.84 H new ATOM 0 HG LEU A 31 -3.317 14.874 7.533 1.00 1.06 H new ATOM 0 HD11 LEU A 31 -1.893 12.863 7.623 1.00 0.89 H new ATOM 0 HD12 LEU A 31 -1.490 14.016 8.918 1.00 0.89 H new ATOM 0 HD13 LEU A 31 -2.439 12.557 9.289 1.00 0.89 H new ATOM 0 HD21 LEU A 31 -4.206 12.707 6.763 1.00 1.63 H new ATOM 0 HD22 LEU A 31 -4.844 12.395 8.395 1.00 1.63 H new ATOM 0 HD23 LEU A 31 -5.487 13.746 7.432 1.00 1.63 H new ATOM 485 N GLU A 32 -4.040 18.061 9.327 1.00 1.15 N ATOM 486 CA GLU A 32 -4.785 19.311 9.499 1.00 1.35 C ATOM 487 C GLU A 32 -6.266 19.043 9.731 1.00 1.32 C ATOM 488 O GLU A 32 -6.975 19.868 10.307 1.00 1.43 O ATOM 489 CB GLU A 32 -4.622 20.215 8.269 1.00 1.65 C ATOM 490 CG GLU A 32 -3.180 20.703 8.055 1.00 2.04 C ATOM 491 CD GLU A 32 -2.695 20.292 6.670 1.00 2.49 C ATOM 492 OE1 GLU A 32 -3.002 21.011 5.695 1.00 2.74 O ATOM 493 OE2 GLU A 32 -2.013 19.251 6.559 1.00 3.19 O ATOM 0 H GLU A 32 -3.592 17.964 8.416 1.00 1.15 H new ATOM 0 HA GLU A 32 -4.376 19.814 10.375 1.00 1.35 H new ATOM 0 HB2 GLU A 32 -4.949 19.672 7.382 1.00 1.65 H new ATOM 0 HB3 GLU A 32 -5.278 21.079 8.373 1.00 1.65 H new ATOM 0 HG2 GLU A 32 -3.134 21.787 8.159 1.00 2.04 H new ATOM 0 HG3 GLU A 32 -2.527 20.281 8.819 1.00 2.04 H new ATOM 500 N ASP A 33 -6.727 17.899 9.263 1.00 1.26 N ATOM 501 CA ASP A 33 -8.134 17.521 9.394 1.00 1.29 C ATOM 502 C ASP A 33 -8.358 16.582 10.580 1.00 1.13 C ATOM 503 O ASP A 33 -9.436 16.006 10.721 1.00 1.16 O ATOM 504 CB ASP A 33 -8.616 16.858 8.105 1.00 1.46 C ATOM 505 CG ASP A 33 -7.927 15.514 7.908 1.00 1.42 C ATOM 506 OD1 ASP A 33 -6.680 15.477 7.944 1.00 1.38 O ATOM 507 OD2 ASP A 33 -8.636 14.503 7.720 1.00 1.59 O ATOM 0 H ASP A 33 -6.150 17.207 8.785 1.00 1.26 H new ATOM 0 HA ASP A 33 -8.709 18.429 9.576 1.00 1.29 H new ATOM 0 HB2 ASP A 33 -9.696 16.718 8.143 1.00 1.46 H new ATOM 0 HB3 ASP A 33 -8.409 17.508 7.255 1.00 1.46 H new ATOM 512 N LYS A 34 -7.348 16.430 11.432 1.00 1.03 N ATOM 513 CA LYS A 34 -7.461 15.564 12.598 1.00 0.94 C ATOM 514 C LYS A 34 -6.978 16.301 13.845 1.00 0.92 C ATOM 515 O LYS A 34 -5.907 16.910 13.834 1.00 0.95 O ATOM 516 CB LYS A 34 -6.634 14.300 12.386 1.00 0.91 C ATOM 517 CG LYS A 34 -7.015 13.596 11.086 1.00 1.00 C ATOM 518 CD LYS A 34 -8.020 12.472 11.334 1.00 1.14 C ATOM 519 CE LYS A 34 -8.231 11.621 10.082 1.00 1.09 C ATOM 520 NZ LYS A 34 -9.654 11.655 9.633 1.00 1.38 N ATOM 0 H LYS A 34 -6.445 16.895 11.336 1.00 1.03 H new ATOM 0 HA LYS A 34 -8.506 15.287 12.735 1.00 0.94 H new ATOM 0 HB2 LYS A 34 -5.575 14.556 12.366 1.00 0.91 H new ATOM 0 HB3 LYS A 34 -6.782 13.621 13.226 1.00 0.91 H new ATOM 0 HG2 LYS A 34 -7.440 14.319 10.390 1.00 1.00 H new ATOM 0 HG3 LYS A 34 -6.120 13.189 10.615 1.00 1.00 H new ATOM 0 HD2 LYS A 34 -7.667 11.840 12.149 1.00 1.14 H new ATOM 0 HD3 LYS A 34 -8.972 12.898 11.650 1.00 1.14 H new ATOM 0 HE2 LYS A 34 -7.587 11.984 9.281 1.00 1.09 H new ATOM 0 HE3 LYS A 34 -7.937 10.591 10.286 1.00 1.09 H new ATOM 0 HZ1 LYS A 34 -9.764 11.068 8.782 1.00 1.38 H new ATOM 0 HZ2 LYS A 34 -10.265 11.286 10.389 1.00 1.38 H new ATOM 0 HZ3 LYS A 34 -9.926 12.635 9.415 1.00 1.38 H new ATOM 534 N PRO A 35 -7.762 16.267 14.938 1.00 0.98 N ATOM 535 CA PRO A 35 -7.401 16.948 16.190 1.00 1.06 C ATOM 536 C PRO A 35 -6.281 16.227 16.932 1.00 0.99 C ATOM 537 O PRO A 35 -5.435 16.860 17.562 1.00 1.11 O ATOM 538 CB PRO A 35 -8.689 16.935 17.003 1.00 1.21 C ATOM 539 CG PRO A 35 -9.474 15.777 16.483 1.00 1.19 C ATOM 540 CD PRO A 35 -9.054 15.566 15.047 1.00 1.07 C ATOM 0 HA PRO A 35 -7.021 17.954 16.010 1.00 1.06 H new ATOM 0 HB2 PRO A 35 -8.481 16.823 18.067 1.00 1.21 H new ATOM 0 HB3 PRO A 35 -9.239 17.868 16.883 1.00 1.21 H new ATOM 0 HG2 PRO A 35 -9.281 14.883 17.076 1.00 1.19 H new ATOM 0 HG3 PRO A 35 -10.544 15.977 16.546 1.00 1.19 H new ATOM 0 HD2 PRO A 35 -8.952 14.506 14.814 1.00 1.07 H new ATOM 0 HD3 PRO A 35 -9.788 15.976 14.354 1.00 1.07 H new ATOM 548 N HIS A 36 -6.280 14.901 16.850 1.00 0.89 N ATOM 549 CA HIS A 36 -5.259 14.097 17.511 1.00 0.86 C ATOM 550 C HIS A 36 -4.363 13.425 16.477 1.00 0.74 C ATOM 551 O HIS A 36 -4.790 13.147 15.356 1.00 0.71 O ATOM 552 CB HIS A 36 -5.907 13.041 18.398 1.00 0.97 C ATOM 553 CG HIS A 36 -6.717 13.627 19.514 1.00 1.16 C ATOM 554 ND1 HIS A 36 -6.160 14.271 20.590 1.00 1.62 N ATOM 555 CD2 HIS A 36 -8.057 13.668 19.739 1.00 1.35 C ATOM 556 CE1 HIS A 36 -7.086 14.684 21.424 1.00 1.72 C ATOM 557 NE2 HIS A 36 -8.264 14.332 20.935 1.00 1.45 N ATOM 0 H HIS A 36 -6.974 14.361 16.333 1.00 0.89 H new ATOM 0 HA HIS A 36 -4.651 14.755 18.132 1.00 0.86 H new ATOM 0 HB2 HIS A 36 -6.548 12.405 17.787 1.00 0.97 H new ATOM 0 HB3 HIS A 36 -5.131 12.401 18.818 1.00 0.97 H new ATOM 0 HD2 HIS A 36 -8.823 13.256 19.099 1.00 1.35 H new ATOM 0 HE1 HIS A 36 -6.916 15.218 22.347 1.00 1.72 H new ATOM 0 HE2 HIS A 36 -9.170 14.518 21.366 1.00 1.45 H new ATOM 565 N PRO A 37 -3.102 13.156 16.849 1.00 0.71 N ATOM 566 CA PRO A 37 -2.130 12.512 15.959 1.00 0.64 C ATOM 567 C PRO A 37 -2.359 11.005 15.873 1.00 0.65 C ATOM 568 O PRO A 37 -2.873 10.393 16.810 1.00 0.92 O ATOM 569 CB PRO A 37 -0.786 12.828 16.600 1.00 0.70 C ATOM 570 CG PRO A 37 -1.075 13.051 18.051 1.00 0.80 C ATOM 571 CD PRO A 37 -2.526 13.459 18.167 1.00 0.81 C ATOM 0 HA PRO A 37 -2.204 12.872 14.933 1.00 0.64 H new ATOM 0 HB2 PRO A 37 -0.083 12.006 16.462 1.00 0.70 H new ATOM 0 HB3 PRO A 37 -0.335 13.712 16.150 1.00 0.70 H new ATOM 0 HG2 PRO A 37 -0.885 12.143 18.624 1.00 0.80 H new ATOM 0 HG3 PRO A 37 -0.425 13.826 18.457 1.00 0.80 H new ATOM 0 HD2 PRO A 37 -3.032 12.905 18.958 1.00 0.81 H new ATOM 0 HD3 PRO A 37 -2.622 14.518 18.408 1.00 0.81 H new ATOM 579 N LEU A 38 -1.990 10.414 14.741 1.00 0.58 N ATOM 580 CA LEU A 38 -2.174 8.980 14.531 1.00 0.59 C ATOM 581 C LEU A 38 -0.846 8.236 14.595 1.00 0.55 C ATOM 582 O LEU A 38 0.163 8.694 14.059 1.00 0.51 O ATOM 583 CB LEU A 38 -2.828 8.734 13.174 1.00 0.61 C ATOM 584 CG LEU A 38 -4.161 9.472 13.054 1.00 0.78 C ATOM 585 CD1 LEU A 38 -4.567 9.610 11.589 1.00 1.34 C ATOM 586 CD2 LEU A 38 -5.254 8.758 13.849 1.00 1.17 C ATOM 0 H LEU A 38 -1.562 10.904 13.955 1.00 0.58 H new ATOM 0 HA LEU A 38 -2.818 8.604 15.326 1.00 0.59 H new ATOM 0 HB2 LEU A 38 -2.157 9.062 12.380 1.00 0.61 H new ATOM 0 HB3 LEU A 38 -2.989 7.665 13.035 1.00 0.61 H new ATOM 0 HG LEU A 38 -4.035 10.470 13.473 1.00 0.78 H new ATOM 0 HD11 LEU A 38 -5.518 10.138 11.523 1.00 1.34 H new ATOM 0 HD12 LEU A 38 -3.803 10.171 11.051 1.00 1.34 H new ATOM 0 HD13 LEU A 38 -4.670 8.620 11.145 1.00 1.34 H new ATOM 0 HD21 LEU A 38 -6.193 9.303 13.747 1.00 1.17 H new ATOM 0 HD22 LEU A 38 -5.379 7.745 13.467 1.00 1.17 H new ATOM 0 HD23 LEU A 38 -4.971 8.716 14.901 1.00 1.17 H new ATOM 598 N GLN A 39 -0.864 7.072 15.239 1.00 0.59 N ATOM 599 CA GLN A 39 0.328 6.239 15.360 1.00 0.59 C ATOM 600 C GLN A 39 0.553 5.497 14.048 1.00 0.58 C ATOM 601 O GLN A 39 -0.311 4.745 13.597 1.00 0.64 O ATOM 602 CB GLN A 39 0.155 5.249 16.514 1.00 0.71 C ATOM 603 CG GLN A 39 1.261 4.194 16.535 1.00 0.84 C ATOM 604 CD GLN A 39 0.919 3.097 17.534 1.00 1.41 C ATOM 605 OE1 GLN A 39 -0.150 3.110 18.145 1.00 1.89 O ATOM 606 NE2 GLN A 39 1.828 2.143 17.703 1.00 1.61 N ATOM 0 H GLN A 39 -1.694 6.684 15.686 1.00 0.59 H new ATOM 0 HA GLN A 39 1.196 6.864 15.571 1.00 0.59 H new ATOM 0 HB2 GLN A 39 0.153 5.791 17.460 1.00 0.71 H new ATOM 0 HB3 GLN A 39 -0.814 4.757 16.427 1.00 0.71 H new ATOM 0 HG2 GLN A 39 1.384 3.765 15.540 1.00 0.84 H new ATOM 0 HG3 GLN A 39 2.211 4.657 16.803 1.00 0.84 H new ATOM 0 HE21 GLN A 39 2.701 2.171 17.176 1.00 1.61 H new ATOM 0 HE22 GLN A 39 1.653 1.382 18.360 1.00 1.61 H new ATOM 615 N CYS A 40 1.703 5.727 13.425 1.00 0.54 N ATOM 616 CA CYS A 40 2.018 5.091 12.150 1.00 0.55 C ATOM 617 C CYS A 40 3.441 4.549 12.158 1.00 0.55 C ATOM 618 O CYS A 40 4.286 5.005 12.928 1.00 0.58 O ATOM 619 CB CYS A 40 1.856 6.102 11.009 1.00 0.56 C ATOM 620 SG CYS A 40 0.523 7.276 11.294 1.00 1.11 S ATOM 0 H CYS A 40 2.431 6.347 13.780 1.00 0.54 H new ATOM 0 HA CYS A 40 1.329 4.260 11.999 1.00 0.55 H new ATOM 0 HB2 CYS A 40 2.791 6.647 10.878 1.00 0.56 H new ATOM 0 HB3 CYS A 40 1.667 5.565 10.079 1.00 0.56 H new ATOM 0 HG CYS A 40 0.639 7.784 12.485 1.00 1.11 H new ATOM 626 N GLN A 41 3.703 3.578 11.287 1.00 0.56 N ATOM 627 CA GLN A 41 5.029 2.979 11.183 1.00 0.58 C ATOM 628 C GLN A 41 5.625 3.287 9.819 1.00 0.57 C ATOM 629 O GLN A 41 4.903 3.400 8.827 1.00 0.65 O ATOM 630 CB GLN A 41 4.948 1.476 11.415 1.00 0.66 C ATOM 631 CG GLN A 41 4.673 1.176 12.885 1.00 0.72 C ATOM 632 CD GLN A 41 4.559 -0.328 13.112 1.00 1.27 C ATOM 633 OE1 GLN A 41 5.160 -0.870 14.039 1.00 1.80 O ATOM 634 NE2 GLN A 41 3.789 -1.008 12.266 1.00 2.05 N ATOM 0 H GLN A 41 3.014 3.190 10.643 1.00 0.56 H new ATOM 0 HA GLN A 41 5.677 3.404 11.949 1.00 0.58 H new ATOM 0 HB2 GLN A 41 4.158 1.049 10.797 1.00 0.66 H new ATOM 0 HB3 GLN A 41 5.882 1.004 11.110 1.00 0.66 H new ATOM 0 HG2 GLN A 41 5.475 1.583 13.501 1.00 0.72 H new ATOM 0 HG3 GLN A 41 3.751 1.667 13.196 1.00 0.72 H new ATOM 0 HE21 GLN A 41 3.308 -0.521 11.510 1.00 2.05 H new ATOM 0 HE22 GLN A 41 3.680 -2.016 12.373 1.00 2.05 H new ATOM 643 N PHE A 42 6.940 3.453 9.777 1.00 0.52 N ATOM 644 CA PHE A 42 7.626 3.788 8.535 1.00 0.52 C ATOM 645 C PHE A 42 8.727 2.785 8.209 1.00 0.57 C ATOM 646 O PHE A 42 9.400 2.270 9.101 1.00 0.57 O ATOM 647 CB PHE A 42 8.221 5.182 8.661 1.00 0.47 C ATOM 648 CG PHE A 42 7.175 6.220 8.963 1.00 0.39 C ATOM 649 CD1 PHE A 42 6.689 6.360 10.252 1.00 0.39 C ATOM 650 CD2 PHE A 42 6.690 7.023 7.950 1.00 0.41 C ATOM 651 CE1 PHE A 42 5.715 7.304 10.527 1.00 0.39 C ATOM 652 CE2 PHE A 42 5.718 7.973 8.222 1.00 0.40 C ATOM 653 CZ PHE A 42 5.229 8.112 9.513 1.00 0.39 C ATOM 0 H PHE A 42 7.553 3.361 10.587 1.00 0.52 H new ATOM 0 HA PHE A 42 6.901 3.755 7.722 1.00 0.52 H new ATOM 0 HB2 PHE A 42 8.972 5.185 9.451 1.00 0.47 H new ATOM 0 HB3 PHE A 42 8.732 5.442 7.734 1.00 0.47 H new ATOM 0 HD1 PHE A 42 7.070 5.732 11.044 1.00 0.39 H new ATOM 0 HD2 PHE A 42 7.068 6.911 6.945 1.00 0.41 H new ATOM 0 HE1 PHE A 42 5.334 7.410 11.532 1.00 0.39 H new ATOM 0 HE2 PHE A 42 5.342 8.604 7.430 1.00 0.40 H new ATOM 0 HZ PHE A 42 4.470 8.850 9.727 1.00 0.39 H new ATOM 663 N PHE A 43 8.915 2.534 6.915 1.00 0.62 N ATOM 664 CA PHE A 43 9.949 1.617 6.444 1.00 0.69 C ATOM 665 C PHE A 43 11.226 2.402 6.186 1.00 0.66 C ATOM 666 O PHE A 43 11.569 2.702 5.043 1.00 0.72 O ATOM 667 CB PHE A 43 9.491 0.933 5.164 1.00 0.80 C ATOM 668 CG PHE A 43 10.405 -0.182 4.716 1.00 0.88 C ATOM 669 CD1 PHE A 43 11.490 0.093 3.898 1.00 0.95 C ATOM 670 CD2 PHE A 43 10.157 -1.485 5.116 1.00 0.97 C ATOM 671 CE1 PHE A 43 12.325 -0.931 3.484 1.00 1.05 C ATOM 672 CE2 PHE A 43 10.992 -2.510 4.701 1.00 1.07 C ATOM 673 CZ PHE A 43 12.076 -2.232 3.885 1.00 1.10 C ATOM 0 H PHE A 43 8.360 2.956 6.170 1.00 0.62 H new ATOM 0 HA PHE A 43 10.135 0.854 7.200 1.00 0.69 H new ATOM 0 HB2 PHE A 43 8.489 0.532 5.315 1.00 0.80 H new ATOM 0 HB3 PHE A 43 9.421 1.676 4.370 1.00 0.80 H new ATOM 0 HD1 PHE A 43 11.684 1.108 3.583 1.00 0.95 H new ATOM 0 HD2 PHE A 43 9.312 -1.702 5.752 1.00 0.97 H new ATOM 0 HE1 PHE A 43 13.171 -0.714 2.848 1.00 1.05 H new ATOM 0 HE2 PHE A 43 10.798 -3.525 5.014 1.00 1.07 H new ATOM 0 HZ PHE A 43 12.727 -3.031 3.562 1.00 1.10 H new ATOM 683 N VAL A 44 11.905 2.759 7.264 1.00 0.67 N ATOM 684 CA VAL A 44 13.134 3.546 7.183 1.00 0.68 C ATOM 685 C VAL A 44 14.347 2.672 6.889 1.00 0.77 C ATOM 686 O VAL A 44 14.325 1.460 7.101 1.00 0.85 O ATOM 687 CB VAL A 44 13.352 4.293 8.498 1.00 0.57 C ATOM 688 CG1 VAL A 44 12.140 5.156 8.829 1.00 0.60 C ATOM 689 CG2 VAL A 44 13.635 3.319 9.643 1.00 0.56 C ATOM 0 H VAL A 44 11.626 2.516 8.215 1.00 0.67 H new ATOM 0 HA VAL A 44 13.023 4.254 6.362 1.00 0.68 H new ATOM 0 HB VAL A 44 14.221 4.939 8.377 1.00 0.57 H new ATOM 0 HG11 VAL A 44 12.313 5.681 9.769 1.00 0.60 H new ATOM 0 HG12 VAL A 44 11.982 5.882 8.032 1.00 0.60 H new ATOM 0 HG13 VAL A 44 11.258 4.523 8.924 1.00 0.60 H new ATOM 0 HG21 VAL A 44 13.786 3.877 10.567 1.00 0.56 H new ATOM 0 HG22 VAL A 44 12.789 2.642 9.762 1.00 0.56 H new ATOM 0 HG23 VAL A 44 14.532 2.742 9.417 1.00 0.56 H new ATOM 699 N GLU A 45 15.416 3.315 6.427 1.00 0.85 N ATOM 700 CA GLU A 45 16.667 2.624 6.130 1.00 0.98 C ATOM 701 C GLU A 45 17.592 2.765 7.329 1.00 0.89 C ATOM 702 O GLU A 45 18.332 1.846 7.678 1.00 1.01 O ATOM 703 CB GLU A 45 17.339 3.215 4.887 1.00 1.14 C ATOM 704 CG GLU A 45 16.323 3.776 3.894 1.00 1.32 C ATOM 705 CD GLU A 45 17.040 4.416 2.712 1.00 1.82 C ATOM 706 OE1 GLU A 45 17.935 5.255 2.943 1.00 2.37 O ATOM 707 OE2 GLU A 45 16.704 4.077 1.557 1.00 2.22 O ATOM 0 H GLU A 45 15.440 4.319 6.249 1.00 0.85 H new ATOM 0 HA GLU A 45 16.457 1.573 5.931 1.00 0.98 H new ATOM 0 HB2 GLU A 45 18.025 4.007 5.189 1.00 1.14 H new ATOM 0 HB3 GLU A 45 17.936 2.445 4.398 1.00 1.14 H new ATOM 0 HG2 GLU A 45 15.668 2.978 3.543 1.00 1.32 H new ATOM 0 HG3 GLU A 45 15.690 4.514 4.388 1.00 1.32 H new ATOM 714 N SER A 46 17.522 3.933 7.962 1.00 0.75 N ATOM 715 CA SER A 46 18.325 4.236 9.140 1.00 0.71 C ATOM 716 C SER A 46 17.412 4.699 10.270 1.00 0.62 C ATOM 717 O SER A 46 16.385 5.333 10.026 1.00 0.59 O ATOM 718 CB SER A 46 19.345 5.320 8.814 1.00 0.74 C ATOM 719 OG SER A 46 19.582 5.377 7.416 1.00 0.98 O ATOM 0 H SER A 46 16.908 4.694 7.672 1.00 0.75 H new ATOM 0 HA SER A 46 18.859 3.339 9.452 1.00 0.71 H new ATOM 0 HB2 SER A 46 18.983 6.286 9.167 1.00 0.74 H new ATOM 0 HB3 SER A 46 20.279 5.118 9.339 1.00 0.74 H new ATOM 0 HG SER A 46 20.238 6.079 7.224 1.00 0.98 H new ATOM 725 N VAL A 47 17.781 4.375 11.504 1.00 0.63 N ATOM 726 CA VAL A 47 16.979 4.755 12.664 1.00 0.59 C ATOM 727 C VAL A 47 16.981 6.268 12.853 1.00 0.57 C ATOM 728 O VAL A 47 18.037 6.898 12.906 1.00 0.67 O ATOM 729 CB VAL A 47 17.514 4.071 13.918 1.00 0.67 C ATOM 730 CG1 VAL A 47 16.703 4.487 15.144 1.00 0.70 C ATOM 731 CG2 VAL A 47 17.492 2.553 13.755 1.00 0.74 C ATOM 0 H VAL A 47 18.627 3.852 11.728 1.00 0.63 H new ATOM 0 HA VAL A 47 15.952 4.432 12.491 1.00 0.59 H new ATOM 0 HB VAL A 47 18.547 4.386 14.064 1.00 0.67 H new ATOM 0 HG11 VAL A 47 17.100 3.989 16.029 1.00 0.70 H new ATOM 0 HG12 VAL A 47 16.770 5.567 15.275 1.00 0.70 H new ATOM 0 HG13 VAL A 47 15.660 4.202 15.004 1.00 0.70 H new ATOM 0 HG21 VAL A 47 17.878 2.084 14.660 1.00 0.74 H new ATOM 0 HG22 VAL A 47 16.469 2.220 13.582 1.00 0.74 H new ATOM 0 HG23 VAL A 47 18.114 2.269 12.906 1.00 0.74 H new ATOM 741 N ILE A 48 15.785 6.843 12.962 1.00 0.48 N ATOM 742 CA ILE A 48 15.631 8.283 13.156 1.00 0.48 C ATOM 743 C ILE A 48 15.410 8.589 14.635 1.00 0.52 C ATOM 744 O ILE A 48 14.608 7.929 15.295 1.00 0.53 O ATOM 745 CB ILE A 48 14.443 8.788 12.340 1.00 0.46 C ATOM 746 CG1 ILE A 48 14.673 8.531 10.854 1.00 0.45 C ATOM 747 CG2 ILE A 48 14.200 10.276 12.587 1.00 0.50 C ATOM 748 CD1 ILE A 48 13.403 8.799 10.051 1.00 0.43 C ATOM 0 H ILE A 48 14.904 6.330 12.919 1.00 0.48 H new ATOM 0 HA ILE A 48 16.538 8.787 12.821 1.00 0.48 H new ATOM 0 HB ILE A 48 13.556 8.241 12.660 1.00 0.46 H new ATOM 0 HG12 ILE A 48 15.479 9.169 10.491 1.00 0.45 H new ATOM 0 HG13 ILE A 48 14.991 7.499 10.704 1.00 0.45 H new ATOM 0 HG21 ILE A 48 13.349 10.609 11.994 1.00 0.50 H new ATOM 0 HG22 ILE A 48 13.992 10.440 13.644 1.00 0.50 H new ATOM 0 HG23 ILE A 48 15.086 10.842 12.300 1.00 0.50 H new ATOM 0 HD11 ILE A 48 13.593 8.609 8.995 1.00 0.43 H new ATOM 0 HD12 ILE A 48 12.606 8.142 10.400 1.00 0.43 H new ATOM 0 HD13 ILE A 48 13.101 9.838 10.184 1.00 0.43 H new ATOM 760 N PRO A 49 16.113 9.597 15.179 1.00 0.56 N ATOM 761 CA PRO A 49 15.974 9.981 16.593 1.00 0.61 C ATOM 762 C PRO A 49 14.597 10.556 16.904 1.00 0.62 C ATOM 763 O PRO A 49 14.096 11.427 16.192 1.00 0.63 O ATOM 764 CB PRO A 49 17.072 11.012 16.809 1.00 0.66 C ATOM 765 CG PRO A 49 17.347 11.568 15.454 1.00 0.64 C ATOM 766 CD PRO A 49 17.092 10.444 14.478 1.00 0.58 C ATOM 0 HA PRO A 49 16.068 9.122 17.258 1.00 0.61 H new ATOM 0 HB2 PRO A 49 16.751 11.793 17.499 1.00 0.66 H new ATOM 0 HB3 PRO A 49 17.964 10.555 17.237 1.00 0.66 H new ATOM 0 HG2 PRO A 49 16.700 12.420 15.244 1.00 0.64 H new ATOM 0 HG3 PRO A 49 18.375 11.922 15.380 1.00 0.64 H new ATOM 0 HD2 PRO A 49 16.697 10.815 13.532 1.00 0.58 H new ATOM 0 HD3 PRO A 49 18.006 9.896 14.249 1.00 0.58 H new ATOM 774 N ALA A 50 13.992 10.050 17.972 1.00 0.63 N ATOM 775 CA ALA A 50 12.663 10.486 18.398 1.00 0.64 C ATOM 776 C ALA A 50 12.587 12.008 18.464 1.00 0.68 C ATOM 777 O ALA A 50 13.427 12.659 19.086 1.00 0.78 O ATOM 778 CB ALA A 50 12.339 9.875 19.762 1.00 0.69 C ATOM 0 H ALA A 50 14.404 9.330 18.566 1.00 0.63 H new ATOM 0 HA ALA A 50 11.929 10.146 17.668 1.00 0.64 H new ATOM 0 HB1 ALA A 50 11.348 10.200 20.080 1.00 0.69 H new ATOM 0 HB2 ALA A 50 12.358 8.788 19.687 1.00 0.69 H new ATOM 0 HB3 ALA A 50 13.080 10.201 20.492 1.00 0.69 H new ATOM 784 N GLY A 51 11.569 12.566 17.812 1.00 0.63 N ATOM 785 CA GLY A 51 11.364 14.012 17.782 1.00 0.67 C ATOM 786 C GLY A 51 10.419 14.394 16.647 1.00 0.62 C ATOM 787 O GLY A 51 10.250 13.640 15.688 1.00 0.56 O ATOM 0 H GLY A 51 10.869 12.034 17.294 1.00 0.63 H new ATOM 0 HA2 GLY A 51 10.952 14.347 18.734 1.00 0.67 H new ATOM 0 HA3 GLY A 51 12.321 14.518 17.653 1.00 0.67 H new ATOM 791 N SER A 52 9.802 15.568 16.761 1.00 0.65 N ATOM 792 CA SER A 52 8.870 16.047 15.742 1.00 0.63 C ATOM 793 C SER A 52 9.624 16.672 14.576 1.00 0.63 C ATOM 794 O SER A 52 10.500 17.515 14.769 1.00 0.69 O ATOM 795 CB SER A 52 7.908 17.061 16.350 1.00 0.70 C ATOM 796 OG SER A 52 8.517 17.725 17.449 1.00 0.95 O ATOM 0 H SER A 52 9.930 16.205 17.548 1.00 0.65 H new ATOM 0 HA SER A 52 8.300 15.197 15.367 1.00 0.63 H new ATOM 0 HB2 SER A 52 7.613 17.790 15.595 1.00 0.70 H new ATOM 0 HB3 SER A 52 6.999 16.557 16.680 1.00 0.70 H new ATOM 0 HG SER A 52 9.089 18.449 17.118 1.00 0.95 H new ATOM 802 N TYR A 53 9.281 16.243 13.365 1.00 0.58 N ATOM 803 CA TYR A 53 9.927 16.749 12.158 1.00 0.58 C ATOM 804 C TYR A 53 8.900 17.208 11.132 1.00 0.58 C ATOM 805 O TYR A 53 7.780 16.702 11.084 1.00 0.55 O ATOM 806 CB TYR A 53 10.766 15.647 11.512 1.00 0.53 C ATOM 807 CG TYR A 53 12.069 15.365 12.213 1.00 0.55 C ATOM 808 CD1 TYR A 53 12.097 14.555 13.336 1.00 0.56 C ATOM 809 CD2 TYR A 53 13.244 15.905 11.722 1.00 0.60 C ATOM 810 CE1 TYR A 53 13.301 14.290 13.968 1.00 0.61 C ATOM 811 CE2 TYR A 53 14.446 15.641 12.356 1.00 0.64 C ATOM 812 CZ TYR A 53 14.470 14.836 13.476 1.00 0.64 C ATOM 813 OH TYR A 53 15.669 14.574 14.104 1.00 0.71 O ATOM 0 H TYR A 53 8.558 15.545 13.193 1.00 0.58 H new ATOM 0 HA TYR A 53 10.552 17.592 12.454 1.00 0.58 H new ATOM 0 HB2 TYR A 53 10.178 14.730 11.482 1.00 0.53 H new ATOM 0 HB3 TYR A 53 10.976 15.925 10.479 1.00 0.53 H new ATOM 0 HD1 TYR A 53 11.181 14.130 13.719 1.00 0.56 H new ATOM 0 HD2 TYR A 53 13.224 16.533 10.844 1.00 0.60 H new ATOM 0 HE1 TYR A 53 13.325 13.658 14.843 1.00 0.61 H new ATOM 0 HE2 TYR A 53 15.363 16.065 11.974 1.00 0.64 H new ATOM 0 HH TYR A 53 16.394 15.033 13.630 1.00 0.71 H new ATOM 823 N GLN A 54 9.326 18.121 10.269 1.00 0.63 N ATOM 824 CA GLN A 54 8.492 18.611 9.176 1.00 0.65 C ATOM 825 C GLN A 54 9.054 18.006 7.904 1.00 0.62 C ATOM 826 O GLN A 54 9.952 18.564 7.273 1.00 0.67 O ATOM 827 CB GLN A 54 8.517 20.131 9.101 1.00 0.74 C ATOM 828 CG GLN A 54 7.893 20.762 10.347 1.00 0.82 C ATOM 829 CD GLN A 54 7.525 22.234 10.102 1.00 1.15 C ATOM 830 OE1 GLN A 54 7.754 23.074 10.972 1.00 1.84 O ATOM 831 NE2 GLN A 54 6.960 22.570 8.931 1.00 1.57 N ATOM 0 H GLN A 54 10.254 18.542 10.305 1.00 0.63 H new ATOM 0 HA GLN A 54 7.451 18.324 9.327 1.00 0.65 H new ATOM 0 HB2 GLN A 54 9.546 20.475 8.994 1.00 0.74 H new ATOM 0 HB3 GLN A 54 7.976 20.462 8.214 1.00 0.74 H new ATOM 0 HG2 GLN A 54 7.001 20.204 10.632 1.00 0.82 H new ATOM 0 HG3 GLN A 54 8.592 20.693 11.181 1.00 0.82 H new ATOM 0 HE21 GLN A 54 6.781 21.854 8.227 1.00 1.57 H new ATOM 0 HE22 GLN A 54 6.710 23.541 8.746 1.00 1.57 H new ATOM 840 N VAL A 55 8.571 16.819 7.590 1.00 0.56 N ATOM 841 CA VAL A 55 9.064 16.051 6.451 1.00 0.53 C ATOM 842 C VAL A 55 8.414 16.437 5.121 1.00 0.56 C ATOM 843 O VAL A 55 7.191 16.400 4.983 1.00 0.56 O ATOM 844 CB VAL A 55 8.810 14.567 6.709 1.00 0.47 C ATOM 845 CG1 VAL A 55 9.526 13.714 5.669 1.00 0.46 C ATOM 846 CG2 VAL A 55 9.247 14.174 8.120 1.00 0.44 C ATOM 0 H VAL A 55 7.827 16.356 8.113 1.00 0.56 H new ATOM 0 HA VAL A 55 10.127 16.272 6.360 1.00 0.53 H new ATOM 0 HB VAL A 55 7.738 14.387 6.626 1.00 0.47 H new ATOM 0 HG11 VAL A 55 9.334 12.660 5.868 1.00 0.46 H new ATOM 0 HG12 VAL A 55 9.159 13.968 4.675 1.00 0.46 H new ATOM 0 HG13 VAL A 55 10.598 13.903 5.719 1.00 0.46 H new ATOM 0 HG21 VAL A 55 9.055 13.113 8.278 1.00 0.44 H new ATOM 0 HG22 VAL A 55 10.312 14.372 8.239 1.00 0.44 H new ATOM 0 HG23 VAL A 55 8.686 14.757 8.850 1.00 0.44 H new ATOM 856 N PRO A 56 9.241 16.748 4.098 1.00 0.60 N ATOM 857 CA PRO A 56 8.759 17.063 2.750 1.00 0.63 C ATOM 858 C PRO A 56 8.437 15.782 1.995 1.00 0.59 C ATOM 859 O PRO A 56 9.334 14.997 1.687 1.00 0.67 O ATOM 860 CB PRO A 56 9.924 17.794 2.096 1.00 0.68 C ATOM 861 CG PRO A 56 11.147 17.350 2.829 1.00 0.66 C ATOM 862 CD PRO A 56 10.710 16.825 4.176 1.00 0.61 C ATOM 0 HA PRO A 56 7.847 17.660 2.756 1.00 0.63 H new ATOM 0 HB2 PRO A 56 9.993 17.550 1.036 1.00 0.68 H new ATOM 0 HB3 PRO A 56 9.797 18.874 2.166 1.00 0.68 H new ATOM 0 HG2 PRO A 56 11.669 16.575 2.268 1.00 0.66 H new ATOM 0 HG3 PRO A 56 11.843 18.180 2.950 1.00 0.66 H new ATOM 0 HD2 PRO A 56 11.146 15.847 4.379 1.00 0.61 H new ATOM 0 HD3 PRO A 56 11.028 17.489 4.980 1.00 0.61 H new ATOM 870 N TYR A 57 7.160 15.554 1.721 1.00 0.55 N ATOM 871 CA TYR A 57 6.745 14.339 1.028 1.00 0.54 C ATOM 872 C TYR A 57 6.244 14.630 -0.377 1.00 0.58 C ATOM 873 O TYR A 57 5.948 15.772 -0.728 1.00 0.61 O ATOM 874 CB TYR A 57 5.647 13.634 1.821 1.00 0.50 C ATOM 875 CG TYR A 57 4.341 14.391 1.821 1.00 0.51 C ATOM 876 CD1 TYR A 57 3.424 14.197 0.801 1.00 0.55 C ATOM 877 CD2 TYR A 57 4.056 15.280 2.843 1.00 0.53 C ATOM 878 CE1 TYR A 57 2.226 14.892 0.803 1.00 0.60 C ATOM 879 CE2 TYR A 57 2.858 15.975 2.843 1.00 0.58 C ATOM 880 CZ TYR A 57 1.949 15.778 1.824 1.00 0.60 C ATOM 881 OH TYR A 57 0.759 16.470 1.825 1.00 0.68 O ATOM 0 H TYR A 57 6.398 16.187 1.965 1.00 0.55 H new ATOM 0 HA TYR A 57 7.621 13.695 0.948 1.00 0.54 H new ATOM 0 HB2 TYR A 57 5.485 12.641 1.402 1.00 0.50 H new ATOM 0 HB3 TYR A 57 5.981 13.496 2.849 1.00 0.50 H new ATOM 0 HD1 TYR A 57 3.644 13.503 0.003 1.00 0.55 H new ATOM 0 HD2 TYR A 57 4.768 15.432 3.641 1.00 0.53 H new ATOM 0 HE1 TYR A 57 1.511 14.741 0.008 1.00 0.60 H new ATOM 0 HE2 TYR A 57 2.636 16.670 3.639 1.00 0.58 H new ATOM 0 HH TYR A 57 0.514 16.697 2.746 1.00 0.68 H new ATOM 891 N ARG A 58 6.140 13.566 -1.165 1.00 0.60 N ATOM 892 CA ARG A 58 5.659 13.641 -2.537 1.00 0.66 C ATOM 893 C ARG A 58 4.810 12.411 -2.823 1.00 0.63 C ATOM 894 O ARG A 58 4.878 11.423 -2.091 1.00 0.70 O ATOM 895 CB ARG A 58 6.825 13.700 -3.523 1.00 0.75 C ATOM 896 CG ARG A 58 8.084 14.318 -2.912 1.00 1.19 C ATOM 897 CD ARG A 58 9.280 14.150 -3.844 1.00 1.19 C ATOM 898 NE ARG A 58 10.348 15.075 -3.484 1.00 1.51 N ATOM 899 CZ ARG A 58 11.522 15.055 -4.107 1.00 1.90 C ATOM 900 NH1 ARG A 58 11.611 15.425 -5.380 1.00 2.66 N ATOM 901 NH2 ARG A 58 12.609 14.658 -3.459 1.00 2.09 N ATOM 0 H ARG A 58 6.389 12.623 -0.867 1.00 0.60 H new ATOM 0 HA ARG A 58 5.067 14.548 -2.658 1.00 0.66 H new ATOM 0 HB2 ARG A 58 7.052 12.692 -3.871 1.00 0.75 H new ATOM 0 HB3 ARG A 58 6.528 14.280 -4.397 1.00 0.75 H new ATOM 0 HG2 ARG A 58 7.916 15.377 -2.717 1.00 1.19 H new ATOM 0 HG3 ARG A 58 8.297 13.847 -1.952 1.00 1.19 H new ATOM 0 HD2 ARG A 58 9.647 13.125 -3.792 1.00 1.19 H new ATOM 0 HD3 ARG A 58 8.972 14.326 -4.875 1.00 1.19 H new ATOM 0 HE ARG A 58 10.191 15.752 -2.738 1.00 1.51 H new ATOM 0 HH11 ARG A 58 10.776 15.726 -5.883 1.00 2.66 H new ATOM 0 HH12 ARG A 58 12.514 15.408 -5.854 1.00 2.66 H new ATOM 0 HH21 ARG A 58 12.544 14.368 -2.483 1.00 2.09 H new ATOM 0 HH22 ARG A 58 13.510 14.642 -3.936 1.00 2.09 H new ATOM 915 N ILE A 59 4.011 12.462 -3.880 1.00 0.57 N ATOM 916 CA ILE A 59 3.157 11.333 -4.235 1.00 0.56 C ATOM 917 C ILE A 59 3.777 10.536 -5.378 1.00 0.59 C ATOM 918 O ILE A 59 3.705 10.937 -6.538 1.00 0.80 O ATOM 919 CB ILE A 59 1.767 11.833 -4.621 1.00 0.57 C ATOM 920 CG1 ILE A 59 1.125 12.562 -3.439 1.00 0.60 C ATOM 921 CG2 ILE A 59 0.885 10.673 -5.075 1.00 0.58 C ATOM 922 CD1 ILE A 59 -0.074 13.399 -3.876 1.00 0.63 C ATOM 0 H ILE A 59 3.935 13.266 -4.503 1.00 0.57 H new ATOM 0 HA ILE A 59 3.065 10.675 -3.371 1.00 0.56 H new ATOM 0 HB ILE A 59 1.866 12.531 -5.452 1.00 0.57 H new ATOM 0 HG12 ILE A 59 0.808 11.835 -2.692 1.00 0.60 H new ATOM 0 HG13 ILE A 59 1.865 13.206 -2.963 1.00 0.60 H new ATOM 0 HG21 ILE A 59 -0.101 11.050 -5.346 1.00 0.58 H new ATOM 0 HG22 ILE A 59 1.338 10.188 -5.940 1.00 0.58 H new ATOM 0 HG23 ILE A 59 0.787 9.951 -4.264 1.00 0.58 H new ATOM 0 HD11 ILE A 59 -0.503 13.901 -3.009 1.00 0.63 H new ATOM 0 HD12 ILE A 59 0.248 14.144 -4.604 1.00 0.63 H new ATOM 0 HD13 ILE A 59 -0.825 12.751 -4.328 1.00 0.63 H new ATOM 934 N ASN A 60 4.381 9.400 -5.043 1.00 0.53 N ATOM 935 CA ASN A 60 5.011 8.547 -6.050 1.00 0.55 C ATOM 936 C ASN A 60 4.056 7.449 -6.482 1.00 0.51 C ATOM 937 O ASN A 60 3.144 7.079 -5.742 1.00 0.61 O ATOM 938 CB ASN A 60 6.300 7.924 -5.514 1.00 0.69 C ATOM 939 CG ASN A 60 7.451 8.191 -6.473 1.00 1.32 C ATOM 940 OD1 ASN A 60 8.221 7.289 -6.805 1.00 1.58 O ATOM 941 ND2 ASN A 60 7.568 9.432 -6.923 1.00 2.33 N ATOM 0 H ASN A 60 4.448 9.049 -4.088 1.00 0.53 H new ATOM 0 HA ASN A 60 5.258 9.171 -6.909 1.00 0.55 H new ATOM 0 HB2 ASN A 60 6.532 8.337 -4.532 1.00 0.69 H new ATOM 0 HB3 ASN A 60 6.167 6.850 -5.384 1.00 0.69 H new ATOM 0 HD21 ASN A 60 8.319 9.671 -7.571 1.00 2.33 H new ATOM 0 HD22 ASN A 60 6.907 10.148 -6.621 1.00 2.33 H new ATOM 948 N VAL A 61 4.270 6.928 -7.682 1.00 0.58 N ATOM 949 CA VAL A 61 3.427 5.867 -8.207 1.00 0.58 C ATOM 950 C VAL A 61 4.250 4.599 -8.405 1.00 0.67 C ATOM 951 O VAL A 61 5.137 4.545 -9.257 1.00 0.78 O ATOM 952 CB VAL A 61 2.783 6.312 -9.523 1.00 0.56 C ATOM 953 CG1 VAL A 61 2.068 5.142 -10.194 1.00 0.53 C ATOM 954 CG2 VAL A 61 1.808 7.464 -9.278 1.00 0.58 C ATOM 0 H VAL A 61 5.019 7.223 -8.308 1.00 0.58 H new ATOM 0 HA VAL A 61 2.632 5.652 -7.493 1.00 0.58 H new ATOM 0 HB VAL A 61 3.571 6.661 -10.190 1.00 0.56 H new ATOM 0 HG11 VAL A 61 1.617 5.478 -11.128 1.00 0.53 H new ATOM 0 HG12 VAL A 61 2.786 4.349 -10.403 1.00 0.53 H new ATOM 0 HG13 VAL A 61 1.290 4.762 -9.531 1.00 0.53 H new ATOM 0 HG21 VAL A 61 1.359 7.768 -10.224 1.00 0.58 H new ATOM 0 HG22 VAL A 61 1.025 7.139 -8.593 1.00 0.58 H new ATOM 0 HG23 VAL A 61 2.344 8.308 -8.843 1.00 0.58 H new ATOM 964 N ASN A 62 3.944 3.582 -7.606 1.00 0.66 N ATOM 965 CA ASN A 62 4.643 2.304 -7.678 1.00 0.76 C ATOM 966 C ASN A 62 3.703 1.217 -8.171 1.00 0.75 C ATOM 967 O ASN A 62 2.578 1.104 -7.698 1.00 0.73 O ATOM 968 CB ASN A 62 5.181 1.924 -6.306 1.00 0.86 C ATOM 969 CG ASN A 62 6.234 0.832 -6.436 1.00 1.28 C ATOM 970 OD1 ASN A 62 7.164 0.943 -7.234 1.00 1.86 O ATOM 971 ND2 ASN A 62 6.086 -0.226 -5.649 1.00 2.04 N ATOM 0 H ASN A 62 3.212 3.619 -6.897 1.00 0.66 H new ATOM 0 HA ASN A 62 5.474 2.403 -8.377 1.00 0.76 H new ATOM 0 HB2 ASN A 62 5.613 2.800 -5.822 1.00 0.86 H new ATOM 0 HB3 ASN A 62 4.365 1.579 -5.671 1.00 0.86 H new ATOM 0 HD21 ASN A 62 6.760 -0.991 -5.691 1.00 2.04 H new ATOM 0 HD22 ASN A 62 5.299 -0.274 -5.002 1.00 2.04 H new ATOM 978 N ASN A 63 4.180 0.419 -9.119 1.00 0.83 N ATOM 979 CA ASN A 63 3.401 -0.678 -9.692 1.00 0.89 C ATOM 980 C ASN A 63 1.996 -0.212 -10.110 1.00 0.78 C ATOM 981 O ASN A 63 1.072 -1.016 -10.226 1.00 0.83 O ATOM 982 CB ASN A 63 3.377 -1.878 -8.712 1.00 1.03 C ATOM 983 CG ASN A 63 2.029 -2.063 -7.996 1.00 1.10 C ATOM 984 OD1 ASN A 63 1.350 -3.069 -8.204 1.00 1.70 O ATOM 985 ND2 ASN A 63 1.637 -1.107 -7.158 1.00 1.33 N ATOM 0 H ASN A 63 5.116 0.512 -9.513 1.00 0.83 H new ATOM 0 HA ASN A 63 3.884 -1.017 -10.609 1.00 0.89 H new ATOM 0 HB2 ASN A 63 3.615 -2.789 -9.261 1.00 1.03 H new ATOM 0 HB3 ASN A 63 4.159 -1.742 -7.965 1.00 1.03 H new ATOM 0 HD21 ASN A 63 0.749 -1.194 -6.664 1.00 1.33 H new ATOM 0 HD22 ASN A 63 2.225 -0.287 -7.009 1.00 1.33 H new ATOM 992 N GLY A 64 1.858 1.086 -10.378 1.00 0.68 N ATOM 993 CA GLY A 64 0.581 1.651 -10.827 1.00 0.62 C ATOM 994 C GLY A 64 -0.320 2.074 -9.668 1.00 0.56 C ATOM 995 O GLY A 64 -1.520 2.276 -9.854 1.00 0.61 O ATOM 0 H GLY A 64 2.612 1.767 -10.293 1.00 0.68 H new ATOM 0 HA2 GLY A 64 0.775 2.514 -11.464 1.00 0.62 H new ATOM 0 HA3 GLY A 64 0.058 0.915 -11.438 1.00 0.62 H new ATOM 999 N ARG A 65 0.251 2.219 -8.480 1.00 0.58 N ATOM 1000 CA ARG A 65 -0.517 2.631 -7.312 1.00 0.59 C ATOM 1001 C ARG A 65 0.100 3.886 -6.697 1.00 0.50 C ATOM 1002 O ARG A 65 1.308 3.940 -6.466 1.00 0.53 O ATOM 1003 CB ARG A 65 -0.547 1.504 -6.286 1.00 0.73 C ATOM 1004 CG ARG A 65 -1.837 0.694 -6.400 1.00 0.96 C ATOM 1005 CD ARG A 65 -1.769 -0.590 -5.570 1.00 1.39 C ATOM 1006 NE ARG A 65 -1.268 -0.301 -4.227 1.00 2.13 N ATOM 1007 CZ ARG A 65 -1.623 -1.022 -3.169 1.00 2.89 C ATOM 1008 NH1 ARG A 65 -2.281 -2.164 -3.325 1.00 3.52 N ATOM 1009 NH2 ARG A 65 -1.315 -0.601 -1.951 1.00 3.39 N ATOM 0 H ARG A 65 1.242 2.058 -8.299 1.00 0.58 H new ATOM 0 HA ARG A 65 -1.538 2.856 -7.619 1.00 0.59 H new ATOM 0 HB2 ARG A 65 0.312 0.849 -6.434 1.00 0.73 H new ATOM 0 HB3 ARG A 65 -0.462 1.919 -5.282 1.00 0.73 H new ATOM 0 HG2 ARG A 65 -2.679 1.300 -6.066 1.00 0.96 H new ATOM 0 HG3 ARG A 65 -2.019 0.444 -7.445 1.00 0.96 H new ATOM 0 HD2 ARG A 65 -2.758 -1.043 -5.507 1.00 1.39 H new ATOM 0 HD3 ARG A 65 -1.118 -1.314 -6.060 1.00 1.39 H new ATOM 0 HE ARG A 65 -0.625 0.480 -4.098 1.00 2.13 H new ATOM 0 HH11 ARG A 65 -2.517 -2.493 -4.261 1.00 3.52 H new ATOM 0 HH12 ARG A 65 -2.551 -2.713 -2.509 1.00 3.52 H new ATOM 0 HH21 ARG A 65 -0.807 0.275 -1.827 1.00 3.39 H new ATOM 0 HH22 ARG A 65 -1.586 -1.152 -1.137 1.00 3.39 H new ATOM 1023 N PRO A 66 -0.720 4.920 -6.430 1.00 0.45 N ATOM 1024 CA PRO A 66 -0.235 6.181 -5.845 1.00 0.42 C ATOM 1025 C PRO A 66 0.145 6.018 -4.374 1.00 0.46 C ATOM 1026 O PRO A 66 -0.690 5.641 -3.552 1.00 0.54 O ATOM 1027 CB PRO A 66 -1.415 7.132 -5.995 1.00 0.43 C ATOM 1028 CG PRO A 66 -2.622 6.260 -6.066 1.00 0.46 C ATOM 1029 CD PRO A 66 -2.175 4.949 -6.664 1.00 0.47 C ATOM 0 HA PRO A 66 0.669 6.539 -6.338 1.00 0.42 H new ATOM 0 HB2 PRO A 66 -1.476 7.818 -5.150 1.00 0.43 H new ATOM 0 HB3 PRO A 66 -1.317 7.741 -6.894 1.00 0.43 H new ATOM 0 HG2 PRO A 66 -3.048 6.108 -5.074 1.00 0.46 H new ATOM 0 HG3 PRO A 66 -3.397 6.721 -6.679 1.00 0.46 H new ATOM 0 HD2 PRO A 66 -2.672 4.104 -6.187 1.00 0.47 H new ATOM 0 HD3 PRO A 66 -2.408 4.897 -7.727 1.00 0.47 H new ATOM 1037 N GLU A 67 1.404 6.303 -4.038 1.00 0.51 N ATOM 1038 CA GLU A 67 1.867 6.183 -2.656 1.00 0.58 C ATOM 1039 C GLU A 67 2.684 7.402 -2.250 1.00 0.54 C ATOM 1040 O GLU A 67 3.127 8.180 -3.096 1.00 0.55 O ATOM 1041 CB GLU A 67 2.697 4.919 -2.475 1.00 0.72 C ATOM 1042 CG GLU A 67 1.955 3.661 -2.937 1.00 1.12 C ATOM 1043 CD GLU A 67 2.507 2.437 -2.218 1.00 1.45 C ATOM 1044 OE1 GLU A 67 3.581 2.550 -1.590 1.00 1.88 O ATOM 1045 OE2 GLU A 67 1.864 1.368 -2.281 1.00 1.79 O ATOM 0 H GLU A 67 2.116 6.616 -4.698 1.00 0.51 H new ATOM 0 HA GLU A 67 0.989 6.122 -2.014 1.00 0.58 H new ATOM 0 HB2 GLU A 67 3.627 5.015 -3.035 1.00 0.72 H new ATOM 0 HB3 GLU A 67 2.967 4.813 -1.424 1.00 0.72 H new ATOM 0 HG2 GLU A 67 0.889 3.762 -2.734 1.00 1.12 H new ATOM 0 HG3 GLU A 67 2.064 3.540 -4.015 1.00 1.12 H new ATOM 1052 N LEU A 68 2.868 7.568 -0.943 1.00 0.57 N ATOM 1053 CA LEU A 68 3.616 8.700 -0.407 1.00 0.56 C ATOM 1054 C LEU A 68 5.104 8.388 -0.306 1.00 0.58 C ATOM 1055 O LEU A 68 5.498 7.303 0.121 1.00 0.70 O ATOM 1056 CB LEU A 68 3.085 9.063 0.978 1.00 0.58 C ATOM 1057 CG LEU A 68 1.658 9.585 0.917 1.00 0.55 C ATOM 1058 CD1 LEU A 68 1.112 9.810 2.325 1.00 0.56 C ATOM 1059 CD2 LEU A 68 1.591 10.879 0.114 1.00 0.54 C ATOM 0 H LEU A 68 2.508 6.930 -0.234 1.00 0.57 H new ATOM 0 HA LEU A 68 3.485 9.539 -1.091 1.00 0.56 H new ATOM 0 HB2 LEU A 68 3.124 8.186 1.624 1.00 0.58 H new ATOM 0 HB3 LEU A 68 3.729 9.818 1.428 1.00 0.58 H new ATOM 0 HG LEU A 68 1.043 8.837 0.418 1.00 0.55 H new ATOM 0 HD11 LEU A 68 0.090 10.184 2.263 1.00 0.56 H new ATOM 0 HD12 LEU A 68 1.122 8.868 2.874 1.00 0.56 H new ATOM 0 HD13 LEU A 68 1.734 10.539 2.844 1.00 0.56 H new ATOM 0 HD21 LEU A 68 0.561 11.235 0.083 1.00 0.54 H new ATOM 0 HD22 LEU A 68 2.222 11.633 0.585 1.00 0.54 H new ATOM 0 HD23 LEU A 68 1.942 10.696 -0.901 1.00 0.54 H new ATOM 1071 N ALA A 69 5.922 9.370 -0.674 1.00 0.54 N ATOM 1072 CA ALA A 69 7.373 9.244 -0.602 1.00 0.56 C ATOM 1073 C ALA A 69 7.915 10.359 0.281 1.00 0.52 C ATOM 1074 O ALA A 69 7.911 11.528 -0.105 1.00 0.57 O ATOM 1075 CB ALA A 69 7.992 9.329 -1.995 1.00 0.64 C ATOM 0 H ALA A 69 5.599 10.270 -1.028 1.00 0.54 H new ATOM 0 HA ALA A 69 7.632 8.274 -0.179 1.00 0.56 H new ATOM 0 HB1 ALA A 69 9.075 9.233 -1.918 1.00 0.64 H new ATOM 0 HB2 ALA A 69 7.599 8.525 -2.617 1.00 0.64 H new ATOM 0 HB3 ALA A 69 7.744 10.290 -2.445 1.00 0.64 H new ATOM 1081 N PHE A 70 8.350 9.993 1.479 1.00 0.48 N ATOM 1082 CA PHE A 70 8.864 10.966 2.439 1.00 0.45 C ATOM 1083 C PHE A 70 10.359 11.186 2.256 1.00 0.47 C ATOM 1084 O PHE A 70 11.144 10.239 2.222 1.00 0.51 O ATOM 1085 CB PHE A 70 8.565 10.493 3.858 1.00 0.41 C ATOM 1086 CG PHE A 70 7.083 10.347 4.117 1.00 0.37 C ATOM 1087 CD1 PHE A 70 6.336 11.447 4.509 1.00 0.38 C ATOM 1088 CD2 PHE A 70 6.463 9.118 3.950 1.00 0.37 C ATOM 1089 CE1 PHE A 70 4.973 11.318 4.731 1.00 0.37 C ATOM 1090 CE2 PHE A 70 5.103 8.990 4.175 1.00 0.37 C ATOM 1091 CZ PHE A 70 4.358 10.090 4.564 1.00 0.37 C ATOM 0 H PHE A 70 8.358 9.029 1.811 1.00 0.48 H new ATOM 0 HA PHE A 70 8.366 11.920 2.264 1.00 0.45 H new ATOM 0 HB2 PHE A 70 9.057 9.536 4.030 1.00 0.41 H new ATOM 0 HB3 PHE A 70 8.987 11.201 4.571 1.00 0.41 H new ATOM 0 HD1 PHE A 70 6.816 12.405 4.642 1.00 0.38 H new ATOM 0 HD2 PHE A 70 7.042 8.259 3.644 1.00 0.37 H new ATOM 0 HE1 PHE A 70 4.392 12.176 5.034 1.00 0.37 H new ATOM 0 HE2 PHE A 70 4.623 8.031 4.047 1.00 0.37 H new ATOM 0 HZ PHE A 70 3.297 9.990 4.737 1.00 0.37 H new ATOM 1101 N ASP A 71 10.737 12.454 2.137 1.00 0.50 N ATOM 1102 CA ASP A 71 12.131 12.836 1.955 1.00 0.54 C ATOM 1103 C ASP A 71 12.767 13.160 3.303 1.00 0.51 C ATOM 1104 O ASP A 71 12.750 14.306 3.752 1.00 0.55 O ATOM 1105 CB ASP A 71 12.203 14.045 1.019 1.00 0.62 C ATOM 1106 CG ASP A 71 13.645 14.496 0.821 1.00 0.68 C ATOM 1107 OD1 ASP A 71 14.357 14.692 1.827 1.00 0.69 O ATOM 1108 OD2 ASP A 71 14.060 14.659 -0.346 1.00 0.88 O ATOM 0 H ASP A 71 10.089 13.241 2.164 1.00 0.50 H new ATOM 0 HA ASP A 71 12.683 12.008 1.510 1.00 0.54 H new ATOM 0 HB2 ASP A 71 11.762 13.790 0.055 1.00 0.62 H new ATOM 0 HB3 ASP A 71 11.615 14.865 1.432 1.00 0.62 H new ATOM 1113 N PHE A 72 13.321 12.137 3.948 1.00 0.49 N ATOM 1114 CA PHE A 72 13.960 12.298 5.253 1.00 0.48 C ATOM 1115 C PHE A 72 15.260 13.090 5.141 1.00 0.52 C ATOM 1116 O PHE A 72 15.843 13.474 6.155 1.00 0.59 O ATOM 1117 CB PHE A 72 14.236 10.927 5.860 1.00 0.48 C ATOM 1118 CG PHE A 72 12.967 10.184 6.202 1.00 0.50 C ATOM 1119 CD1 PHE A 72 11.986 10.813 6.947 1.00 0.50 C ATOM 1120 CD2 PHE A 72 12.773 8.881 5.765 1.00 0.59 C ATOM 1121 CE1 PHE A 72 10.814 10.147 7.257 1.00 0.57 C ATOM 1122 CE2 PHE A 72 11.599 8.214 6.076 1.00 0.66 C ATOM 1123 CZ PHE A 72 10.618 8.848 6.822 1.00 0.64 C ATOM 0 H PHE A 72 13.341 11.183 3.587 1.00 0.49 H new ATOM 0 HA PHE A 72 13.282 12.856 5.899 1.00 0.48 H new ATOM 0 HB2 PHE A 72 14.824 10.334 5.159 1.00 0.48 H new ATOM 0 HB3 PHE A 72 14.838 11.046 6.761 1.00 0.48 H new ATOM 0 HD1 PHE A 72 12.135 11.827 7.288 1.00 0.50 H new ATOM 0 HD2 PHE A 72 13.537 8.387 5.183 1.00 0.59 H new ATOM 0 HE1 PHE A 72 10.051 10.642 7.839 1.00 0.57 H new ATOM 0 HE2 PHE A 72 11.448 7.200 5.737 1.00 0.66 H new ATOM 0 HZ PHE A 72 9.702 8.329 7.063 1.00 0.64 H new ATOM 1133 N LYS A 73 15.722 13.330 3.915 1.00 0.56 N ATOM 1134 CA LYS A 73 16.955 14.069 3.698 1.00 0.61 C ATOM 1135 C LYS A 73 16.721 15.573 3.822 1.00 0.65 C ATOM 1136 O LYS A 73 17.665 16.338 4.023 1.00 0.74 O ATOM 1137 CB LYS A 73 17.488 13.765 2.303 1.00 0.66 C ATOM 1138 CG LYS A 73 18.116 12.375 2.212 1.00 0.70 C ATOM 1139 CD LYS A 73 17.231 11.289 2.819 1.00 1.45 C ATOM 1140 CE LYS A 73 17.571 9.919 2.238 1.00 2.02 C ATOM 1141 NZ LYS A 73 18.928 9.477 2.661 1.00 2.50 N ATOM 0 H LYS A 73 15.258 13.022 3.060 1.00 0.56 H new ATOM 0 HA LYS A 73 17.676 13.762 4.456 1.00 0.61 H new ATOM 0 HB2 LYS A 73 16.675 13.842 1.581 1.00 0.66 H new ATOM 0 HB3 LYS A 73 18.230 14.515 2.029 1.00 0.66 H new ATOM 0 HG2 LYS A 73 18.312 12.137 1.167 1.00 0.70 H new ATOM 0 HG3 LYS A 73 19.079 12.381 2.723 1.00 0.70 H new ATOM 0 HD2 LYS A 73 17.361 11.272 3.901 1.00 1.45 H new ATOM 0 HD3 LYS A 73 16.183 11.519 2.627 1.00 1.45 H new ATOM 0 HE2 LYS A 73 16.830 9.189 2.563 1.00 2.02 H new ATOM 0 HE3 LYS A 73 17.522 9.960 1.150 1.00 2.02 H new ATOM 0 HZ1 LYS A 73 19.132 8.543 2.251 1.00 2.50 H new ATOM 0 HZ2 LYS A 73 19.636 10.163 2.329 1.00 2.50 H new ATOM 0 HZ3 LYS A 73 18.965 9.416 3.699 1.00 2.50 H new ATOM 1155 N ALA A 74 15.469 15.999 3.671 1.00 0.63 N ATOM 1156 CA ALA A 74 15.137 17.419 3.731 1.00 0.69 C ATOM 1157 C ALA A 74 14.149 17.733 4.847 1.00 0.66 C ATOM 1158 O ALA A 74 13.577 18.823 4.877 1.00 0.70 O ATOM 1159 CB ALA A 74 14.548 17.856 2.395 1.00 0.74 C ATOM 0 H ALA A 74 14.672 15.384 3.507 1.00 0.63 H new ATOM 0 HA ALA A 74 16.056 17.965 3.942 1.00 0.69 H new ATOM 0 HB1 ALA A 74 14.299 18.916 2.437 1.00 0.74 H new ATOM 0 HB2 ALA A 74 15.277 17.685 1.603 1.00 0.74 H new ATOM 0 HB3 ALA A 74 13.646 17.279 2.189 1.00 0.74 H new ATOM 1165 N MET A 75 13.945 16.799 5.767 1.00 0.62 N ATOM 1166 CA MET A 75 13.017 17.039 6.867 1.00 0.60 C ATOM 1167 C MET A 75 13.620 18.019 7.852 1.00 0.65 C ATOM 1168 O MET A 75 14.826 18.014 8.099 1.00 0.70 O ATOM 1169 CB MET A 75 12.636 15.745 7.571 1.00 0.53 C ATOM 1170 CG MET A 75 13.837 15.040 8.188 1.00 0.51 C ATOM 1171 SD MET A 75 13.338 13.834 9.432 1.00 0.48 S ATOM 1172 CE MET A 75 14.864 12.909 9.646 1.00 0.48 C ATOM 0 H MET A 75 14.399 15.886 5.776 1.00 0.62 H new ATOM 0 HA MET A 75 12.106 17.467 6.449 1.00 0.60 H new ATOM 0 HB2 MET A 75 11.906 15.961 8.351 1.00 0.53 H new ATOM 0 HB3 MET A 75 12.153 15.076 6.858 1.00 0.53 H new ATOM 0 HG2 MET A 75 14.407 14.540 7.405 1.00 0.51 H new ATOM 0 HG3 MET A 75 14.498 15.778 8.642 1.00 0.51 H new ATOM 0 HE1 MET A 75 14.713 12.125 10.388 1.00 0.48 H new ATOM 0 HE2 MET A 75 15.153 12.459 8.696 1.00 0.48 H new ATOM 0 HE3 MET A 75 15.653 13.581 9.984 1.00 0.48 H new ATOM 1182 N LYS A 76 12.770 18.873 8.396 1.00 0.71 N ATOM 1183 CA LYS A 76 13.198 19.891 9.345 1.00 0.78 C ATOM 1184 C LYS A 76 12.682 19.567 10.741 1.00 0.75 C ATOM 1185 O LYS A 76 11.486 19.341 10.927 1.00 0.73 O ATOM 1186 CB LYS A 76 12.654 21.251 8.903 1.00 0.86 C ATOM 1187 CG LYS A 76 13.666 22.035 8.073 1.00 1.04 C ATOM 1188 CD LYS A 76 13.050 23.316 7.524 1.00 1.19 C ATOM 1189 CE LYS A 76 14.120 24.206 6.913 1.00 1.92 C ATOM 1190 NZ LYS A 76 14.666 23.598 5.669 1.00 2.78 N ATOM 0 H LYS A 76 11.770 18.882 8.195 1.00 0.71 H new ATOM 0 HA LYS A 76 14.287 19.916 9.372 1.00 0.78 H new ATOM 0 HB2 LYS A 76 11.745 21.105 8.320 1.00 0.86 H new ATOM 0 HB3 LYS A 76 12.379 21.833 9.782 1.00 0.86 H new ATOM 0 HG2 LYS A 76 14.533 22.279 8.687 1.00 1.04 H new ATOM 0 HG3 LYS A 76 14.022 21.417 7.249 1.00 1.04 H new ATOM 0 HD2 LYS A 76 12.300 23.072 6.772 1.00 1.19 H new ATOM 0 HD3 LYS A 76 12.537 23.851 8.324 1.00 1.19 H new ATOM 0 HE2 LYS A 76 13.700 25.187 6.690 1.00 1.92 H new ATOM 0 HE3 LYS A 76 14.925 24.360 7.631 1.00 1.92 H new ATOM 0 HZ1 LYS A 76 15.358 24.245 5.241 1.00 2.78 H new ATOM 0 HZ2 LYS A 76 15.131 22.696 5.898 1.00 2.78 H new ATOM 0 HZ3 LYS A 76 13.891 23.427 4.997 1.00 2.78 H new ATOM 1204 N ARG A 77 13.578 19.558 11.728 1.00 0.77 N ATOM 1205 CA ARG A 77 13.187 19.278 13.101 1.00 0.76 C ATOM 1206 C ARG A 77 12.221 20.354 13.583 1.00 0.81 C ATOM 1207 O ARG A 77 12.488 21.549 13.454 1.00 0.88 O ATOM 1208 CB ARG A 77 14.424 19.239 14.000 1.00 0.81 C ATOM 1209 CG ARG A 77 14.579 17.880 14.699 1.00 0.79 C ATOM 1210 CD ARG A 77 15.220 18.001 16.086 1.00 0.95 C ATOM 1211 NE ARG A 77 14.446 17.237 17.062 1.00 1.99 N ATOM 1212 CZ ARG A 77 14.579 17.431 18.372 1.00 2.56 C ATOM 1213 NH1 ARG A 77 15.638 16.956 19.012 1.00 2.68 N ATOM 1214 NH2 ARG A 77 13.653 18.097 19.047 1.00 3.41 N ATOM 0 H ARG A 77 14.573 19.741 11.599 1.00 0.77 H new ATOM 0 HA ARG A 77 12.694 18.307 13.145 1.00 0.76 H new ATOM 0 HB2 ARG A 77 15.313 19.445 13.404 1.00 0.81 H new ATOM 0 HB3 ARG A 77 14.354 20.027 14.750 1.00 0.81 H new ATOM 0 HG2 ARG A 77 13.600 17.411 14.795 1.00 0.79 H new ATOM 0 HG3 ARG A 77 15.188 17.223 14.078 1.00 0.79 H new ATOM 0 HD2 ARG A 77 16.246 17.634 16.055 1.00 0.95 H new ATOM 0 HD3 ARG A 77 15.265 19.048 16.385 1.00 0.95 H new ATOM 0 HE ARG A 77 13.785 16.535 16.730 1.00 1.99 H new ATOM 0 HH11 ARG A 77 16.354 16.440 18.501 1.00 2.68 H new ATOM 0 HH12 ARG A 77 15.737 17.106 20.016 1.00 2.68 H new ATOM 0 HH21 ARG A 77 12.834 18.464 18.563 1.00 3.41 H new ATOM 0 HH22 ARG A 77 13.760 18.243 20.051 1.00 3.41 H new ATOM 1228 N ALA A 78 11.092 19.927 14.127 1.00 0.80 N ATOM 1229 CA ALA A 78 10.082 20.859 14.617 1.00 0.86 C ATOM 1230 C ALA A 78 10.252 21.087 16.114 1.00 0.95 C ATOM 1231 O ALA A 78 10.412 20.093 16.854 1.00 1.50 O ATOM 1232 CB ALA A 78 8.682 20.325 14.315 1.00 0.82 C ATOM 1233 OXT ALA A 78 10.224 22.259 16.545 1.00 1.45 O ATOM 0 H ALA A 78 10.850 18.943 14.241 1.00 0.80 H new ATOM 0 HA ALA A 78 10.210 21.813 14.106 1.00 0.86 H new ATOM 0 HB1 ALA A 78 7.936 21.029 14.685 1.00 0.82 H new ATOM 0 HB2 ALA A 78 8.563 20.204 13.238 1.00 0.82 H new ATOM 0 HB3 ALA A 78 8.546 19.361 14.806 1.00 0.82 H new TER 1239 ALA A 78 ATOM 1240 N MET B 1 -5.262 20.423 0.362 1.00 0.84 N ATOM 1241 CA MET B 1 -4.330 19.641 -0.502 1.00 0.80 C ATOM 1242 C MET B 1 -5.099 18.951 -1.620 1.00 0.73 C ATOM 1243 O MET B 1 -6.030 18.184 -1.370 1.00 0.70 O ATOM 1244 CB MET B 1 -3.575 18.588 0.309 1.00 0.83 C ATOM 1245 CG MET B 1 -2.855 19.196 1.517 1.00 0.93 C ATOM 1246 SD MET B 1 -1.623 18.079 2.204 1.00 1.10 S ATOM 1247 CE MET B 1 -2.678 16.919 3.089 1.00 1.02 C ATOM 0 H1 MET B 1 -4.713 21.033 1.001 1.00 0.84 H new ATOM 0 H2 MET B 1 -5.878 21.011 -0.235 1.00 0.84 H new ATOM 0 H3 MET B 1 -5.846 19.770 0.923 1.00 0.84 H new ATOM 0 HA MET B 1 -3.610 20.341 -0.927 1.00 0.80 H new ATOM 0 HB2 MET B 1 -4.274 17.825 0.651 1.00 0.83 H new ATOM 0 HB3 MET B 1 -2.848 18.090 -0.333 1.00 0.83 H new ATOM 0 HG2 MET B 1 -2.373 20.128 1.220 1.00 0.93 H new ATOM 0 HG3 MET B 1 -3.586 19.446 2.286 1.00 0.93 H new ATOM 0 HE1 MET B 1 -2.061 16.161 3.571 1.00 1.02 H new ATOM 0 HE2 MET B 1 -3.253 17.454 3.845 1.00 1.02 H new ATOM 0 HE3 MET B 1 -3.360 16.439 2.387 1.00 1.02 H new ATOM 1259 N ASN B 2 -4.698 19.223 -2.856 1.00 0.74 N ATOM 1260 CA ASN B 2 -5.343 18.627 -4.020 1.00 0.68 C ATOM 1261 C ASN B 2 -4.310 18.346 -5.109 1.00 0.64 C ATOM 1262 O ASN B 2 -3.189 18.851 -5.055 1.00 0.66 O ATOM 1263 CB ASN B 2 -6.446 19.561 -4.537 1.00 0.74 C ATOM 1264 CG ASN B 2 -5.862 20.728 -5.320 1.00 0.87 C ATOM 1265 OD1 ASN B 2 -6.088 20.857 -6.523 1.00 1.63 O ATOM 1266 ND2 ASN B 2 -5.109 21.576 -4.638 1.00 1.23 N ATOM 0 H ASN B 2 -3.928 19.854 -3.078 1.00 0.74 H new ATOM 0 HA ASN B 2 -5.798 17.679 -3.734 1.00 0.68 H new ATOM 0 HB2 ASN B 2 -7.131 19.001 -5.173 1.00 0.74 H new ATOM 0 HB3 ASN B 2 -7.028 19.939 -3.697 1.00 0.74 H new ATOM 0 HD21 ASN B 2 -4.688 22.377 -5.109 1.00 1.23 H new ATOM 0 HD22 ASN B 2 -4.949 21.429 -3.641 1.00 1.23 H new ATOM 1273 N ILE B 3 -4.693 17.544 -6.097 1.00 0.58 N ATOM 1274 CA ILE B 3 -3.794 17.205 -7.195 1.00 0.54 C ATOM 1275 C ILE B 3 -4.589 16.924 -8.464 1.00 0.52 C ATOM 1276 O ILE B 3 -5.698 16.394 -8.410 1.00 0.51 O ATOM 1277 CB ILE B 3 -2.948 15.990 -6.823 1.00 0.49 C ATOM 1278 CG1 ILE B 3 -1.880 15.740 -7.886 1.00 0.48 C ATOM 1279 CG2 ILE B 3 -3.820 14.750 -6.638 1.00 0.44 C ATOM 1280 CD1 ILE B 3 -0.935 14.617 -7.462 1.00 0.46 C ATOM 0 H ILE B 3 -5.617 17.117 -6.160 1.00 0.58 H new ATOM 0 HA ILE B 3 -3.133 18.052 -7.380 1.00 0.54 H new ATOM 0 HB ILE B 3 -2.454 16.198 -5.874 1.00 0.49 H new ATOM 0 HG12 ILE B 3 -2.357 15.481 -8.831 1.00 0.48 H new ATOM 0 HG13 ILE B 3 -1.311 16.654 -8.056 1.00 0.48 H new ATOM 0 HG21 ILE B 3 -3.192 13.899 -6.374 1.00 0.44 H new ATOM 0 HG22 ILE B 3 -4.543 14.929 -5.842 1.00 0.44 H new ATOM 0 HG23 ILE B 3 -4.349 14.535 -7.567 1.00 0.44 H new ATOM 0 HD11 ILE B 3 -0.185 14.460 -8.237 1.00 0.46 H new ATOM 0 HD12 ILE B 3 -0.441 14.890 -6.529 1.00 0.46 H new ATOM 0 HD13 ILE B 3 -1.504 13.699 -7.316 1.00 0.46 H new ATOM 1292 N GLN B 4 -4.018 17.290 -9.607 1.00 0.53 N ATOM 1293 CA GLN B 4 -4.675 17.081 -10.892 1.00 0.53 C ATOM 1294 C GLN B 4 -4.558 15.624 -11.322 1.00 0.47 C ATOM 1295 O GLN B 4 -3.460 15.072 -11.386 1.00 0.45 O ATOM 1296 CB GLN B 4 -4.052 17.989 -11.947 1.00 0.59 C ATOM 1297 CG GLN B 4 -4.875 17.992 -13.232 1.00 0.64 C ATOM 1298 CD GLN B 4 -4.407 19.115 -14.147 1.00 0.71 C ATOM 1299 OE1 GLN B 4 -5.125 20.090 -14.367 1.00 1.07 O ATOM 1300 NE2 GLN B 4 -3.198 18.978 -14.678 1.00 1.07 N ATOM 0 H GLN B 4 -3.101 17.733 -9.669 1.00 0.53 H new ATOM 0 HA GLN B 4 -5.732 17.327 -10.787 1.00 0.53 H new ATOM 0 HB2 GLN B 4 -3.978 19.004 -11.558 1.00 0.59 H new ATOM 0 HB3 GLN B 4 -3.037 17.656 -12.163 1.00 0.59 H new ATOM 0 HG2 GLN B 4 -4.775 17.033 -13.740 1.00 0.64 H new ATOM 0 HG3 GLN B 4 -5.932 18.120 -12.997 1.00 0.64 H new ATOM 0 HE21 GLN B 4 -2.639 18.152 -14.467 1.00 1.07 H new ATOM 0 HE22 GLN B 4 -2.828 19.699 -15.297 1.00 1.07 H new ATOM 1309 N ILE B 5 -5.698 15.009 -11.618 1.00 0.45 N ATOM 1310 CA ILE B 5 -5.733 13.614 -12.046 1.00 0.40 C ATOM 1311 C ILE B 5 -6.565 13.479 -13.317 1.00 0.43 C ATOM 1312 O ILE B 5 -7.767 13.744 -13.314 1.00 0.46 O ATOM 1313 CB ILE B 5 -6.323 12.746 -10.934 1.00 0.37 C ATOM 1314 CG1 ILE B 5 -5.412 12.786 -9.709 1.00 0.35 C ATOM 1315 CG2 ILE B 5 -6.523 11.305 -11.408 1.00 0.36 C ATOM 1316 CD1 ILE B 5 -5.976 11.961 -8.556 1.00 0.35 C ATOM 0 H ILE B 5 -6.614 15.456 -11.569 1.00 0.45 H new ATOM 0 HA ILE B 5 -4.717 13.279 -12.255 1.00 0.40 H new ATOM 0 HB ILE B 5 -7.301 13.145 -10.664 1.00 0.37 H new ATOM 0 HG12 ILE B 5 -4.425 12.409 -9.977 1.00 0.35 H new ATOM 0 HG13 ILE B 5 -5.281 13.819 -9.387 1.00 0.35 H new ATOM 0 HG21 ILE B 5 -6.944 10.710 -10.597 1.00 0.36 H new ATOM 0 HG22 ILE B 5 -7.205 11.293 -12.258 1.00 0.36 H new ATOM 0 HG23 ILE B 5 -5.563 10.884 -11.707 1.00 0.36 H new ATOM 0 HD11 ILE B 5 -5.298 12.016 -7.704 1.00 0.35 H new ATOM 0 HD12 ILE B 5 -6.951 12.355 -8.270 1.00 0.35 H new ATOM 0 HD13 ILE B 5 -6.082 10.922 -8.869 1.00 0.35 H new ATOM 1328 N THR B 6 -5.921 13.054 -14.398 1.00 0.45 N ATOM 1329 CA THR B 6 -6.606 12.869 -15.674 1.00 0.50 C ATOM 1330 C THR B 6 -7.093 11.431 -15.782 1.00 0.48 C ATOM 1331 O THR B 6 -6.304 10.515 -16.006 1.00 0.49 O ATOM 1332 CB THR B 6 -5.662 13.203 -16.826 1.00 0.56 C ATOM 1333 OG1 THR B 6 -5.126 14.505 -16.649 1.00 0.59 O ATOM 1334 CG2 THR B 6 -6.386 13.114 -18.167 1.00 0.62 C ATOM 0 H THR B 6 -4.926 12.831 -14.417 1.00 0.45 H new ATOM 0 HA THR B 6 -7.464 13.539 -15.728 1.00 0.50 H new ATOM 0 HB THR B 6 -4.850 12.476 -16.827 1.00 0.56 H new ATOM 0 HG1 THR B 6 -4.171 14.440 -16.438 1.00 0.59 H new ATOM 0 HG21 THR B 6 -5.692 13.356 -18.972 1.00 0.62 H new ATOM 0 HG22 THR B 6 -6.767 12.103 -18.308 1.00 0.62 H new ATOM 0 HG23 THR B 6 -7.217 13.819 -18.179 1.00 0.62 H new ATOM 1342 N PHE B 7 -8.396 11.233 -15.601 1.00 0.46 N ATOM 1343 CA PHE B 7 -8.978 9.900 -15.656 1.00 0.46 C ATOM 1344 C PHE B 7 -9.194 9.459 -17.090 1.00 0.52 C ATOM 1345 O PHE B 7 -9.240 10.276 -18.010 1.00 0.58 O ATOM 1346 CB PHE B 7 -10.307 9.879 -14.910 1.00 0.44 C ATOM 1347 CG PHE B 7 -10.136 9.932 -13.415 1.00 0.47 C ATOM 1348 CD1 PHE B 7 -9.428 8.933 -12.768 1.00 0.55 C ATOM 1349 CD2 PHE B 7 -10.684 10.976 -12.688 1.00 0.59 C ATOM 1350 CE1 PHE B 7 -9.268 8.978 -11.395 1.00 0.69 C ATOM 1351 CE2 PHE B 7 -10.523 11.020 -11.314 1.00 0.71 C ATOM 1352 CZ PHE B 7 -9.814 10.020 -10.668 1.00 0.75 C ATOM 0 H PHE B 7 -9.066 11.979 -15.415 1.00 0.46 H new ATOM 0 HA PHE B 7 -8.282 9.208 -15.182 1.00 0.46 H new ATOM 0 HB2 PHE B 7 -10.913 10.726 -15.232 1.00 0.44 H new ATOM 0 HB3 PHE B 7 -10.854 8.975 -15.177 1.00 0.44 H new ATOM 0 HD1 PHE B 7 -9.001 8.119 -13.335 1.00 0.55 H new ATOM 0 HD2 PHE B 7 -11.236 11.755 -13.193 1.00 0.59 H new ATOM 0 HE1 PHE B 7 -8.716 8.199 -10.890 1.00 0.69 H new ATOM 0 HE2 PHE B 7 -10.950 11.833 -10.746 1.00 0.71 H new ATOM 0 HZ PHE B 7 -9.688 10.054 -9.596 1.00 0.75 H new ATOM 1362 N THR B 8 -9.339 8.155 -17.267 1.00 0.54 N ATOM 1363 CA THR B 8 -9.567 7.579 -18.583 1.00 0.62 C ATOM 1364 C THR B 8 -10.760 6.638 -18.532 1.00 0.64 C ATOM 1365 O THR B 8 -11.386 6.473 -17.483 1.00 0.61 O ATOM 1366 CB THR B 8 -8.328 6.830 -19.057 1.00 0.65 C ATOM 1367 OG1 THR B 8 -8.076 5.720 -18.212 1.00 0.66 O ATOM 1368 CG2 THR B 8 -7.114 7.754 -19.086 1.00 0.65 C ATOM 0 H THR B 8 -9.302 7.472 -16.510 1.00 0.54 H new ATOM 0 HA THR B 8 -9.776 8.383 -19.289 1.00 0.62 H new ATOM 0 HB THR B 8 -8.511 6.472 -20.070 1.00 0.65 H new ATOM 0 HG1 THR B 8 -7.713 6.035 -17.358 1.00 0.66 H new ATOM 0 HG21 THR B 8 -6.241 7.197 -19.427 1.00 0.65 H new ATOM 0 HG22 THR B 8 -7.304 8.584 -19.767 1.00 0.65 H new ATOM 0 HG23 THR B 8 -6.928 8.142 -18.084 1.00 0.65 H new ATOM 1376 N ASP B 9 -11.077 6.028 -19.666 1.00 0.73 N ATOM 1377 CA ASP B 9 -12.205 5.110 -19.742 1.00 0.76 C ATOM 1378 C ASP B 9 -11.728 3.661 -19.606 1.00 0.79 C ATOM 1379 O ASP B 9 -12.402 2.730 -20.049 1.00 0.93 O ATOM 1380 CB ASP B 9 -12.970 5.345 -21.055 1.00 0.86 C ATOM 1381 CG ASP B 9 -12.399 4.516 -22.206 1.00 1.41 C ATOM 1382 OD1 ASP B 9 -11.404 4.957 -22.818 1.00 2.38 O ATOM 1383 OD2 ASP B 9 -12.951 3.433 -22.491 1.00 1.50 O ATOM 0 H ASP B 9 -10.571 6.152 -20.543 1.00 0.73 H new ATOM 0 HA ASP B 9 -12.888 5.299 -18.914 1.00 0.76 H new ATOM 0 HB2 ASP B 9 -14.021 5.093 -20.913 1.00 0.86 H new ATOM 0 HB3 ASP B 9 -12.929 6.403 -21.315 1.00 0.86 H new ATOM 1388 N SER B 10 -10.566 3.482 -18.982 1.00 0.74 N ATOM 1389 CA SER B 10 -9.997 2.157 -18.774 1.00 0.77 C ATOM 1390 C SER B 10 -10.261 1.702 -17.349 1.00 0.72 C ATOM 1391 O SER B 10 -9.576 2.127 -16.418 1.00 0.68 O ATOM 1392 CB SER B 10 -8.496 2.178 -19.036 1.00 0.79 C ATOM 1393 OG SER B 10 -8.175 1.398 -20.178 1.00 0.85 O ATOM 0 H SER B 10 -9.999 4.244 -18.611 1.00 0.74 H new ATOM 0 HA SER B 10 -10.466 1.461 -19.470 1.00 0.77 H new ATOM 0 HB2 SER B 10 -8.162 3.205 -19.185 1.00 0.79 H new ATOM 0 HB3 SER B 10 -7.964 1.793 -18.166 1.00 0.79 H new ATOM 0 HG SER B 10 -7.207 1.425 -20.331 1.00 0.85 H new ATOM 1399 N VAL B 11 -11.256 0.844 -17.170 1.00 0.76 N ATOM 1400 CA VAL B 11 -11.580 0.361 -15.837 1.00 0.75 C ATOM 1401 C VAL B 11 -11.454 -1.154 -15.764 1.00 0.84 C ATOM 1402 O VAL B 11 -12.144 -1.886 -16.474 1.00 0.94 O ATOM 1403 CB VAL B 11 -12.990 0.790 -15.421 1.00 0.74 C ATOM 1404 CG1 VAL B 11 -13.103 0.783 -13.900 1.00 0.71 C ATOM 1405 CG2 VAL B 11 -13.349 2.175 -15.966 1.00 0.70 C ATOM 0 H VAL B 11 -11.843 0.474 -17.917 1.00 0.76 H new ATOM 0 HA VAL B 11 -10.866 0.806 -15.144 1.00 0.75 H new ATOM 0 HB VAL B 11 -13.695 0.076 -15.847 1.00 0.74 H new ATOM 0 HG11 VAL B 11 -14.108 1.089 -13.608 1.00 0.71 H new ATOM 0 HG12 VAL B 11 -12.906 -0.221 -13.525 1.00 0.71 H new ATOM 0 HG13 VAL B 11 -12.376 1.477 -13.478 1.00 0.71 H new ATOM 0 HG21 VAL B 11 -14.357 2.441 -15.648 1.00 0.70 H new ATOM 0 HG22 VAL B 11 -12.642 2.911 -15.584 1.00 0.70 H new ATOM 0 HG23 VAL B 11 -13.304 2.160 -17.055 1.00 0.70 H new ATOM 1415 N ARG B 12 -10.571 -1.612 -14.885 1.00 0.85 N ATOM 1416 CA ARG B 12 -10.336 -3.035 -14.683 1.00 0.96 C ATOM 1417 C ARG B 12 -11.278 -3.578 -13.617 1.00 0.98 C ATOM 1418 O ARG B 12 -11.187 -3.207 -12.446 1.00 0.95 O ATOM 1419 CB ARG B 12 -8.894 -3.262 -14.249 1.00 0.98 C ATOM 1420 CG ARG B 12 -8.484 -4.717 -14.464 1.00 1.15 C ATOM 1421 CD ARG B 12 -7.382 -4.865 -15.519 1.00 1.74 C ATOM 1422 NE ARG B 12 -7.488 -3.824 -16.541 1.00 2.31 N ATOM 1423 CZ ARG B 12 -6.410 -3.319 -17.132 1.00 2.92 C ATOM 1424 NH1 ARG B 12 -5.712 -2.361 -16.537 1.00 3.50 N ATOM 1425 NH2 ARG B 12 -6.028 -3.773 -18.317 1.00 3.36 N ATOM 0 H ARG B 12 -9.999 -1.009 -14.294 1.00 0.85 H new ATOM 0 HA ARG B 12 -10.521 -3.558 -15.621 1.00 0.96 H new ATOM 0 HB2 ARG B 12 -8.232 -2.606 -14.814 1.00 0.98 H new ATOM 0 HB3 ARG B 12 -8.781 -2.999 -13.197 1.00 0.98 H new ATOM 0 HG2 ARG B 12 -8.138 -5.137 -13.520 1.00 1.15 H new ATOM 0 HG3 ARG B 12 -9.356 -5.296 -14.770 1.00 1.15 H new ATOM 0 HD2 ARG B 12 -6.405 -4.809 -15.039 1.00 1.74 H new ATOM 0 HD3 ARG B 12 -7.452 -5.847 -15.987 1.00 1.74 H new ATOM 0 HE ARG B 12 -8.410 -3.478 -16.806 1.00 2.31 H new ATOM 0 HH11 ARG B 12 -6.002 -2.010 -15.624 1.00 3.50 H new ATOM 0 HH12 ARG B 12 -4.885 -1.975 -16.992 1.00 3.50 H new ATOM 0 HH21 ARG B 12 -6.562 -4.511 -18.777 1.00 3.36 H new ATOM 0 HH22 ARG B 12 -5.200 -3.385 -18.769 1.00 3.36 H new ATOM 1439 N GLN B 13 -12.181 -4.457 -14.029 1.00 1.07 N ATOM 1440 CA GLN B 13 -13.148 -5.058 -13.115 1.00 1.12 C ATOM 1441 C GLN B 13 -12.870 -6.549 -12.972 1.00 1.26 C ATOM 1442 O GLN B 13 -12.449 -7.199 -13.928 1.00 1.38 O ATOM 1443 CB GLN B 13 -14.557 -4.847 -13.654 1.00 1.15 C ATOM 1444 CG GLN B 13 -14.785 -3.384 -14.012 1.00 1.05 C ATOM 1445 CD GLN B 13 -15.881 -3.253 -15.057 1.00 1.41 C ATOM 1446 OE1 GLN B 13 -15.967 -4.053 -15.986 1.00 2.13 O ATOM 1447 NE2 GLN B 13 -16.724 -2.239 -14.902 1.00 1.87 N ATOM 0 H GLN B 13 -12.266 -4.772 -14.995 1.00 1.07 H new ATOM 0 HA GLN B 13 -13.059 -4.585 -12.137 1.00 1.12 H new ATOM 0 HB2 GLN B 13 -14.711 -5.470 -14.535 1.00 1.15 H new ATOM 0 HB3 GLN B 13 -15.287 -5.162 -12.909 1.00 1.15 H new ATOM 0 HG2 GLN B 13 -15.059 -2.824 -13.118 1.00 1.05 H new ATOM 0 HG3 GLN B 13 -13.860 -2.948 -14.391 1.00 1.05 H new ATOM 0 HE21 GLN B 13 -16.614 -1.600 -14.115 1.00 1.87 H new ATOM 0 HE22 GLN B 13 -17.482 -2.099 -15.570 1.00 1.87 H new ATOM 1456 N GLY B 14 -13.108 -7.097 -11.785 1.00 1.28 N ATOM 1457 CA GLY B 14 -12.873 -8.521 -11.560 1.00 1.42 C ATOM 1458 C GLY B 14 -13.028 -8.894 -10.091 1.00 1.44 C ATOM 1459 O GLY B 14 -13.348 -8.052 -9.252 1.00 1.36 O ATOM 0 H GLY B 14 -13.458 -6.587 -10.974 1.00 1.28 H new ATOM 0 HA2 GLY B 14 -13.573 -9.104 -12.159 1.00 1.42 H new ATOM 0 HA3 GLY B 14 -11.870 -8.782 -11.898 1.00 1.42 H new ATOM 1463 N THR B 15 -12.796 -10.172 -9.799 1.00 1.60 N ATOM 1464 CA THR B 15 -12.899 -10.695 -8.440 1.00 1.69 C ATOM 1465 C THR B 15 -11.510 -10.977 -7.880 1.00 1.77 C ATOM 1466 O THR B 15 -10.602 -11.378 -8.610 1.00 1.85 O ATOM 1467 CB THR B 15 -13.732 -11.985 -8.437 1.00 1.84 C ATOM 1468 OG1 THR B 15 -14.021 -12.379 -9.770 1.00 1.93 O ATOM 1469 CG2 THR B 15 -15.038 -11.815 -7.653 1.00 1.98 C ATOM 0 H THR B 15 -12.533 -10.870 -10.494 1.00 1.60 H new ATOM 0 HA THR B 15 -13.390 -9.951 -7.813 1.00 1.69 H new ATOM 0 HB THR B 15 -13.143 -12.758 -7.944 1.00 1.84 H new ATOM 0 HG1 THR B 15 -14.551 -13.203 -9.760 1.00 1.93 H new ATOM 0 HG21 THR B 15 -15.599 -12.749 -7.674 1.00 1.98 H new ATOM 0 HG22 THR B 15 -14.811 -11.552 -6.620 1.00 1.98 H new ATOM 0 HG23 THR B 15 -15.634 -11.023 -8.107 1.00 1.98 H new ATOM 1477 N SER B 16 -11.351 -10.768 -6.580 1.00 1.79 N ATOM 1478 CA SER B 16 -10.075 -11.001 -5.917 1.00 1.92 C ATOM 1479 C SER B 16 -9.971 -12.452 -5.476 1.00 2.13 C ATOM 1480 O SER B 16 -10.939 -13.206 -5.563 1.00 2.18 O ATOM 1481 CB SER B 16 -9.946 -10.083 -4.707 1.00 1.90 C ATOM 1482 OG SER B 16 -11.229 -9.709 -4.228 1.00 2.06 O ATOM 0 H SER B 16 -12.092 -10.437 -5.962 1.00 1.79 H new ATOM 0 HA SER B 16 -9.269 -10.786 -6.618 1.00 1.92 H new ATOM 0 HB2 SER B 16 -9.390 -10.588 -3.918 1.00 1.90 H new ATOM 0 HB3 SER B 16 -9.378 -9.193 -4.977 1.00 1.90 H new ATOM 0 HG SER B 16 -11.678 -9.150 -4.897 1.00 2.06 H new ATOM 1488 N ALA B 17 -8.792 -12.838 -5.004 1.00 2.27 N ATOM 1489 CA ALA B 17 -8.567 -14.208 -4.544 1.00 2.49 C ATOM 1490 C ALA B 17 -9.547 -14.563 -3.429 1.00 2.56 C ATOM 1491 O ALA B 17 -9.852 -15.736 -3.211 1.00 2.71 O ATOM 1492 CB ALA B 17 -7.131 -14.383 -4.043 1.00 2.64 C ATOM 0 H ALA B 17 -7.979 -12.227 -4.929 1.00 2.27 H new ATOM 0 HA ALA B 17 -8.728 -14.878 -5.388 1.00 2.49 H new ATOM 0 HB1 ALA B 17 -6.986 -15.409 -3.706 1.00 2.64 H new ATOM 0 HB2 ALA B 17 -6.434 -14.165 -4.852 1.00 2.64 H new ATOM 0 HB3 ALA B 17 -6.949 -13.699 -3.214 1.00 2.64 H new ATOM 1498 N LYS B 18 -10.040 -13.547 -2.721 1.00 2.49 N ATOM 1499 CA LYS B 18 -10.986 -13.756 -1.627 1.00 2.60 C ATOM 1500 C LYS B 18 -12.425 -13.790 -2.142 1.00 2.51 C ATOM 1501 O LYS B 18 -13.371 -13.814 -1.352 1.00 2.61 O ATOM 1502 CB LYS B 18 -10.836 -12.642 -0.595 1.00 2.63 C ATOM 1503 CG LYS B 18 -9.401 -12.554 -0.087 1.00 2.80 C ATOM 1504 CD LYS B 18 -9.000 -13.829 0.650 1.00 3.32 C ATOM 1505 CE LYS B 18 -8.317 -13.508 1.975 1.00 3.76 C ATOM 1506 NZ LYS B 18 -9.304 -13.055 2.994 1.00 4.16 N ATOM 0 H LYS B 18 -9.799 -12.570 -2.887 1.00 2.49 H new ATOM 0 HA LYS B 18 -10.765 -14.718 -1.164 1.00 2.60 H new ATOM 0 HB2 LYS B 18 -11.127 -11.690 -1.038 1.00 2.63 H new ATOM 0 HB3 LYS B 18 -11.511 -12.824 0.242 1.00 2.63 H new ATOM 0 HG2 LYS B 18 -8.725 -12.387 -0.925 1.00 2.80 H new ATOM 0 HG3 LYS B 18 -9.300 -11.698 0.580 1.00 2.80 H new ATOM 0 HD2 LYS B 18 -9.884 -14.440 0.832 1.00 3.32 H new ATOM 0 HD3 LYS B 18 -8.329 -14.418 0.025 1.00 3.32 H new ATOM 0 HE2 LYS B 18 -7.793 -14.391 2.340 1.00 3.76 H new ATOM 0 HE3 LYS B 18 -7.567 -12.732 1.822 1.00 3.76 H new ATOM 0 HZ1 LYS B 18 -8.811 -12.844 3.885 1.00 4.16 H new ATOM 0 HZ2 LYS B 18 -9.786 -12.199 2.654 1.00 4.16 H new ATOM 0 HZ3 LYS B 18 -10.005 -13.806 3.156 1.00 4.16 H new ATOM 1520 N GLY B 19 -12.592 -13.798 -3.463 1.00 2.38 N ATOM 1521 CA GLY B 19 -13.920 -13.835 -4.066 1.00 2.34 C ATOM 1522 C GLY B 19 -14.610 -12.472 -4.005 1.00 2.17 C ATOM 1523 O GLY B 19 -15.759 -12.338 -4.424 1.00 2.16 O ATOM 0 H GLY B 19 -11.824 -13.779 -4.134 1.00 2.38 H new ATOM 0 HA2 GLY B 19 -13.839 -14.155 -5.105 1.00 2.34 H new ATOM 0 HA3 GLY B 19 -14.532 -14.576 -3.551 1.00 2.34 H new ATOM 1527 N ASN B 20 -13.917 -11.460 -3.484 1.00 2.09 N ATOM 1528 CA ASN B 20 -14.493 -10.122 -3.381 1.00 1.95 C ATOM 1529 C ASN B 20 -14.356 -9.371 -4.702 1.00 1.75 C ATOM 1530 O ASN B 20 -13.359 -9.514 -5.409 1.00 1.70 O ATOM 1531 CB ASN B 20 -13.808 -9.336 -2.267 1.00 1.97 C ATOM 1532 CG ASN B 20 -14.175 -9.920 -0.910 1.00 2.21 C ATOM 1533 OD1 ASN B 20 -13.807 -11.050 -0.590 1.00 2.55 O ATOM 1534 ND2 ASN B 20 -14.904 -9.150 -0.111 1.00 2.42 N ATOM 0 H ASN B 20 -12.964 -11.541 -3.130 1.00 2.09 H new ATOM 0 HA ASN B 20 -15.553 -10.225 -3.147 1.00 1.95 H new ATOM 0 HB2 ASN B 20 -12.727 -9.365 -2.403 1.00 1.97 H new ATOM 0 HB3 ASN B 20 -14.107 -8.289 -2.314 1.00 1.97 H new ATOM 0 HD21 ASN B 20 -15.181 -9.489 0.810 1.00 2.42 H new ATOM 0 HD22 ASN B 20 -15.187 -8.219 -0.418 1.00 2.42 H new ATOM 1541 N PRO B 21 -15.370 -8.557 -5.047 1.00 1.67 N ATOM 1542 CA PRO B 21 -15.380 -7.772 -6.286 1.00 1.51 C ATOM 1543 C PRO B 21 -14.610 -6.465 -6.142 1.00 1.36 C ATOM 1544 O PRO B 21 -14.680 -5.802 -5.107 1.00 1.41 O ATOM 1545 CB PRO B 21 -16.857 -7.499 -6.527 1.00 1.57 C ATOM 1546 CG PRO B 21 -17.512 -7.575 -5.181 1.00 1.70 C ATOM 1547 CD PRO B 21 -16.590 -8.338 -4.257 1.00 1.77 C ATOM 0 HA PRO B 21 -14.897 -8.300 -7.108 1.00 1.51 H new ATOM 0 HB2 PRO B 21 -17.005 -6.518 -6.979 1.00 1.57 H new ATOM 0 HB3 PRO B 21 -17.284 -8.232 -7.211 1.00 1.57 H new ATOM 0 HG2 PRO B 21 -17.700 -6.575 -4.791 1.00 1.70 H new ATOM 0 HG3 PRO B 21 -18.478 -8.075 -5.254 1.00 1.70 H new ATOM 0 HD2 PRO B 21 -16.379 -7.770 -3.351 1.00 1.77 H new ATOM 0 HD3 PRO B 21 -17.035 -9.283 -3.945 1.00 1.77 H new ATOM 1555 N TYR B 22 -13.876 -6.097 -7.187 1.00 1.24 N ATOM 1556 CA TYR B 22 -13.096 -4.865 -7.173 1.00 1.11 C ATOM 1557 C TYR B 22 -13.248 -4.116 -8.488 1.00 1.00 C ATOM 1558 O TYR B 22 -13.417 -4.720 -9.549 1.00 1.05 O ATOM 1559 CB TYR B 22 -11.624 -5.174 -6.922 1.00 1.16 C ATOM 1560 CG TYR B 22 -10.989 -5.962 -8.039 1.00 1.21 C ATOM 1561 CD1 TYR B 22 -10.590 -5.325 -9.201 1.00 1.14 C ATOM 1562 CD2 TYR B 22 -10.803 -7.326 -7.902 1.00 1.37 C ATOM 1563 CE1 TYR B 22 -10.006 -6.052 -10.225 1.00 1.24 C ATOM 1564 CE2 TYR B 22 -10.219 -8.052 -8.926 1.00 1.45 C ATOM 1565 CZ TYR B 22 -9.823 -7.412 -10.083 1.00 1.39 C ATOM 1566 OH TYR B 22 -9.243 -8.133 -11.102 1.00 1.52 O ATOM 0 H TYR B 22 -13.805 -6.633 -8.052 1.00 1.24 H new ATOM 0 HA TYR B 22 -13.471 -4.235 -6.367 1.00 1.11 H new ATOM 0 HB2 TYR B 22 -11.080 -4.239 -6.789 1.00 1.16 H new ATOM 0 HB3 TYR B 22 -11.529 -5.733 -5.991 1.00 1.16 H new ATOM 0 HD1 TYR B 22 -10.734 -4.260 -9.309 1.00 1.14 H new ATOM 0 HD2 TYR B 22 -11.114 -7.825 -6.996 1.00 1.37 H new ATOM 0 HE1 TYR B 22 -9.695 -5.556 -11.132 1.00 1.24 H new ATOM 0 HE2 TYR B 22 -10.074 -9.117 -8.820 1.00 1.45 H new ATOM 0 HH TYR B 22 -9.186 -9.077 -10.844 1.00 1.52 H new ATOM 1576 N THR B 23 -13.184 -2.793 -8.406 1.00 0.90 N ATOM 1577 CA THR B 23 -13.310 -1.936 -9.577 1.00 0.82 C ATOM 1578 C THR B 23 -12.142 -0.968 -9.640 1.00 0.74 C ATOM 1579 O THR B 23 -12.140 0.067 -8.972 1.00 0.70 O ATOM 1580 CB THR B 23 -14.596 -1.141 -9.500 1.00 0.82 C ATOM 1581 OG1 THR B 23 -15.695 -2.002 -9.238 1.00 0.97 O ATOM 1582 CG2 THR B 23 -14.826 -0.360 -10.787 1.00 0.80 C ATOM 0 H THR B 23 -13.044 -2.287 -7.532 1.00 0.90 H new ATOM 0 HA THR B 23 -13.317 -2.565 -10.467 1.00 0.82 H new ATOM 0 HB THR B 23 -14.509 -0.428 -8.680 1.00 0.82 H new ATOM 0 HG1 THR B 23 -16.519 -1.474 -9.189 1.00 0.97 H new ATOM 0 HG21 THR B 23 -15.756 0.204 -10.709 1.00 0.80 H new ATOM 0 HG22 THR B 23 -13.996 0.328 -10.948 1.00 0.80 H new ATOM 0 HG23 THR B 23 -14.891 -1.053 -11.626 1.00 0.80 H new ATOM 1590 N PHE B 24 -11.160 -1.302 -10.450 1.00 0.75 N ATOM 1591 CA PHE B 24 -9.985 -0.455 -10.615 1.00 0.70 C ATOM 1592 C PHE B 24 -10.125 0.382 -11.873 1.00 0.65 C ATOM 1593 O PHE B 24 -10.365 -0.145 -12.950 1.00 0.71 O ATOM 1594 CB PHE B 24 -8.718 -1.305 -10.694 1.00 0.76 C ATOM 1595 CG PHE B 24 -8.218 -1.734 -9.335 1.00 0.83 C ATOM 1596 CD1 PHE B 24 -7.788 -0.783 -8.422 1.00 0.85 C ATOM 1597 CD2 PHE B 24 -8.189 -3.078 -8.997 1.00 1.13 C ATOM 1598 CE1 PHE B 24 -7.330 -1.175 -7.176 1.00 0.93 C ATOM 1599 CE2 PHE B 24 -7.731 -3.469 -7.749 1.00 1.26 C ATOM 1600 CZ PHE B 24 -7.302 -2.518 -6.839 1.00 1.08 C ATOM 0 H PHE B 24 -11.147 -2.155 -11.008 1.00 0.75 H new ATOM 0 HA PHE B 24 -9.907 0.205 -9.751 1.00 0.70 H new ATOM 0 HB2 PHE B 24 -8.916 -2.189 -11.300 1.00 0.76 H new ATOM 0 HB3 PHE B 24 -7.937 -0.739 -11.202 1.00 0.76 H new ATOM 0 HD1 PHE B 24 -7.810 0.265 -8.683 1.00 0.85 H new ATOM 0 HD2 PHE B 24 -8.523 -3.820 -9.706 1.00 1.13 H new ATOM 0 HE1 PHE B 24 -6.994 -0.433 -6.466 1.00 0.93 H new ATOM 0 HE2 PHE B 24 -7.709 -4.516 -7.486 1.00 1.26 H new ATOM 0 HZ PHE B 24 -6.946 -2.823 -5.866 1.00 1.08 H new ATOM 1610 N GLN B 25 -9.975 1.689 -11.738 1.00 0.59 N ATOM 1611 CA GLN B 25 -10.089 2.584 -12.883 1.00 0.56 C ATOM 1612 C GLN B 25 -8.750 3.240 -13.175 1.00 0.53 C ATOM 1613 O GLN B 25 -7.993 3.558 -12.258 1.00 0.52 O ATOM 1614 CB GLN B 25 -11.148 3.648 -12.622 1.00 0.51 C ATOM 1615 CG GLN B 25 -11.279 4.579 -13.820 1.00 0.53 C ATOM 1616 CD GLN B 25 -12.552 5.409 -13.716 1.00 0.55 C ATOM 1617 OE1 GLN B 25 -13.341 5.242 -12.786 1.00 0.59 O ATOM 1618 NE2 GLN B 25 -12.752 6.308 -14.674 1.00 0.71 N ATOM 0 H GLN B 25 -9.775 2.155 -10.853 1.00 0.59 H new ATOM 0 HA GLN B 25 -10.389 1.998 -13.751 1.00 0.56 H new ATOM 0 HB2 GLN B 25 -12.107 3.172 -12.418 1.00 0.51 H new ATOM 0 HB3 GLN B 25 -10.883 4.223 -11.735 1.00 0.51 H new ATOM 0 HG2 GLN B 25 -10.412 5.238 -13.872 1.00 0.53 H new ATOM 0 HG3 GLN B 25 -11.292 3.996 -14.741 1.00 0.53 H new ATOM 0 HE21 GLN B 25 -12.071 6.412 -15.426 1.00 0.71 H new ATOM 0 HE22 GLN B 25 -13.587 6.894 -14.657 1.00 0.71 H new ATOM 1627 N GLU B 26 -8.457 3.442 -14.457 1.00 0.54 N ATOM 1628 CA GLU B 26 -7.199 4.062 -14.853 1.00 0.53 C ATOM 1629 C GLU B 26 -7.289 5.571 -14.745 1.00 0.48 C ATOM 1630 O GLU B 26 -8.370 6.159 -14.823 1.00 0.50 O ATOM 1631 CB GLU B 26 -6.824 3.684 -16.282 1.00 0.60 C ATOM 1632 CG GLU B 26 -5.512 4.349 -16.703 1.00 0.69 C ATOM 1633 CD GLU B 26 -4.953 3.680 -17.952 1.00 0.98 C ATOM 1634 OE1 GLU B 26 -4.395 2.570 -17.834 1.00 1.23 O ATOM 1635 OE2 GLU B 26 -5.078 4.268 -19.047 1.00 1.28 O ATOM 0 H GLU B 26 -9.069 3.187 -15.232 1.00 0.54 H new ATOM 0 HA GLU B 26 -6.428 3.695 -14.176 1.00 0.53 H new ATOM 0 HB2 GLU B 26 -6.728 2.601 -16.361 1.00 0.60 H new ATOM 0 HB3 GLU B 26 -7.622 3.984 -16.962 1.00 0.60 H new ATOM 0 HG2 GLU B 26 -5.680 5.409 -16.895 1.00 0.69 H new ATOM 0 HG3 GLU B 26 -4.787 4.283 -15.892 1.00 0.69 H new ATOM 1642 N GLY B 27 -6.134 6.189 -14.575 1.00 0.45 N ATOM 1643 CA GLY B 27 -6.051 7.642 -14.460 1.00 0.43 C ATOM 1644 C GLY B 27 -4.601 8.106 -14.428 1.00 0.45 C ATOM 1645 O GLY B 27 -3.732 7.423 -13.886 1.00 0.51 O ATOM 0 H GLY B 27 -5.236 5.710 -14.513 1.00 0.45 H new ATOM 0 HA2 GLY B 27 -6.567 8.107 -15.300 1.00 0.43 H new ATOM 0 HA3 GLY B 27 -6.561 7.968 -13.553 1.00 0.43 H new ATOM 1649 N PHE B 28 -4.349 9.274 -15.011 1.00 0.46 N ATOM 1650 CA PHE B 28 -3.005 9.840 -15.049 1.00 0.48 C ATOM 1651 C PHE B 28 -2.823 10.842 -13.915 1.00 0.44 C ATOM 1652 O PHE B 28 -3.720 11.634 -13.616 1.00 0.43 O ATOM 1653 CB PHE B 28 -2.759 10.510 -16.397 1.00 0.55 C ATOM 1654 CG PHE B 28 -2.300 9.539 -17.458 1.00 0.65 C ATOM 1655 CD1 PHE B 28 -0.972 9.149 -17.517 1.00 1.10 C ATOM 1656 CD2 PHE B 28 -3.208 9.038 -18.376 1.00 0.91 C ATOM 1657 CE1 PHE B 28 -0.552 8.261 -18.492 1.00 1.21 C ATOM 1658 CE2 PHE B 28 -2.788 8.149 -19.352 1.00 0.97 C ATOM 1659 CZ PHE B 28 -1.459 7.761 -19.410 1.00 0.89 C ATOM 0 H PHE B 28 -5.060 9.848 -15.465 1.00 0.46 H new ATOM 0 HA PHE B 28 -2.279 9.037 -14.920 1.00 0.48 H new ATOM 0 HB2 PHE B 28 -3.676 10.996 -16.729 1.00 0.55 H new ATOM 0 HB3 PHE B 28 -2.009 11.292 -16.277 1.00 0.55 H new ATOM 0 HD1 PHE B 28 -0.263 9.538 -16.801 1.00 1.10 H new ATOM 0 HD2 PHE B 28 -4.244 9.340 -18.331 1.00 0.91 H new ATOM 0 HE1 PHE B 28 0.484 7.958 -18.536 1.00 1.21 H new ATOM 0 HE2 PHE B 28 -3.496 7.758 -20.068 1.00 0.97 H new ATOM 0 HZ PHE B 28 -1.131 7.069 -20.171 1.00 0.89 H new ATOM 1669 N LEU B 29 -1.660 10.782 -13.274 1.00 0.45 N ATOM 1670 CA LEU B 29 -1.339 11.655 -12.147 1.00 0.44 C ATOM 1671 C LEU B 29 -0.374 12.759 -12.568 1.00 0.46 C ATOM 1672 O LEU B 29 0.528 12.537 -13.376 1.00 0.48 O ATOM 1673 CB LEU B 29 -0.709 10.805 -11.052 1.00 0.51 C ATOM 1674 CG LEU B 29 -1.321 11.057 -9.680 1.00 0.52 C ATOM 1675 CD1 LEU B 29 -2.425 10.047 -9.405 1.00 0.65 C ATOM 1676 CD2 LEU B 29 -0.255 10.949 -8.600 1.00 0.91 C ATOM 0 H LEU B 29 -0.915 10.130 -13.519 1.00 0.45 H new ATOM 0 HA LEU B 29 -2.250 12.131 -11.785 1.00 0.44 H new ATOM 0 HB2 LEU B 29 -0.822 9.751 -11.307 1.00 0.51 H new ATOM 0 HB3 LEU B 29 0.361 11.010 -11.010 1.00 0.51 H new ATOM 0 HG LEU B 29 -1.742 12.062 -9.669 1.00 0.52 H new ATOM 0 HD11 LEU B 29 -2.855 10.237 -8.422 1.00 0.65 H new ATOM 0 HD12 LEU B 29 -3.201 10.140 -10.165 1.00 0.65 H new ATOM 0 HD13 LEU B 29 -2.011 9.039 -9.431 1.00 0.65 H new ATOM 0 HD21 LEU B 29 -0.706 11.131 -7.624 1.00 0.91 H new ATOM 0 HD22 LEU B 29 0.181 9.950 -8.617 1.00 0.91 H new ATOM 0 HD23 LEU B 29 0.525 11.688 -8.783 1.00 0.91 H new ATOM 1688 N HIS B 30 -0.571 13.951 -12.012 1.00 0.48 N ATOM 1689 CA HIS B 30 0.274 15.094 -12.320 1.00 0.53 C ATOM 1690 C HIS B 30 1.005 15.560 -11.066 1.00 0.60 C ATOM 1691 O HIS B 30 0.378 15.962 -10.085 1.00 0.65 O ATOM 1692 CB HIS B 30 -0.583 16.221 -12.872 1.00 0.58 C ATOM 1693 CG HIS B 30 -1.147 15.912 -14.223 1.00 0.59 C ATOM 1694 ND1 HIS B 30 -0.607 16.385 -15.391 1.00 0.70 N ATOM 1695 CD2 HIS B 30 -2.218 15.171 -14.608 1.00 0.56 C ATOM 1696 CE1 HIS B 30 -1.294 15.969 -16.430 1.00 0.73 C ATOM 1697 NE2 HIS B 30 -2.292 15.221 -15.988 1.00 0.64 N ATOM 0 H HIS B 30 -1.314 14.148 -11.342 1.00 0.48 H new ATOM 0 HA HIS B 30 1.014 14.803 -13.066 1.00 0.53 H new ATOM 0 HB2 HIS B 30 -1.400 16.422 -12.180 1.00 0.58 H new ATOM 0 HB3 HIS B 30 0.015 17.130 -12.932 1.00 0.58 H new ATOM 0 HD1 HIS B 30 0.219 16.981 -15.446 1.00 0.70 H new ATOM 0 HD2 HIS B 30 -2.892 14.638 -13.953 1.00 0.56 H new ATOM 0 HE1 HIS B 30 -1.082 16.197 -17.464 1.00 0.73 H new ATOM 1705 N LEU B 31 2.332 15.497 -11.097 1.00 0.67 N ATOM 1706 CA LEU B 31 3.141 15.906 -9.955 1.00 0.81 C ATOM 1707 C LEU B 31 3.962 17.147 -10.286 1.00 0.93 C ATOM 1708 O LEU B 31 4.508 17.274 -11.382 1.00 0.92 O ATOM 1709 CB LEU B 31 4.048 14.759 -9.533 1.00 0.84 C ATOM 1710 CG LEU B 31 3.532 14.098 -8.260 1.00 1.06 C ATOM 1711 CD1 LEU B 31 2.246 13.330 -8.542 1.00 0.90 C ATOM 1712 CD2 LEU B 31 4.590 13.176 -7.668 1.00 1.63 C ATOM 0 H LEU B 31 2.869 15.167 -11.899 1.00 0.67 H new ATOM 0 HA LEU B 31 2.478 16.158 -9.128 1.00 0.81 H new ATOM 0 HB2 LEU B 31 4.105 14.021 -10.333 1.00 0.84 H new ATOM 0 HB3 LEU B 31 5.060 15.131 -9.370 1.00 0.84 H new ATOM 0 HG LEU B 31 3.313 14.878 -7.531 1.00 1.06 H new ATOM 0 HD11 LEU B 31 1.891 12.864 -7.623 1.00 0.90 H new ATOM 0 HD12 LEU B 31 1.487 14.017 -8.917 1.00 0.90 H new ATOM 0 HD13 LEU B 31 2.439 12.559 -9.288 1.00 0.90 H new ATOM 0 HD21 LEU B 31 4.203 12.714 -6.760 1.00 1.63 H new ATOM 0 HD22 LEU B 31 4.842 12.400 -8.391 1.00 1.63 H new ATOM 0 HD23 LEU B 31 5.483 13.753 -7.429 1.00 1.63 H new ATOM 1724 N GLU B 32 4.035 18.064 -9.324 1.00 1.14 N ATOM 1725 CA GLU B 32 4.781 19.315 -9.495 1.00 1.35 C ATOM 1726 C GLU B 32 6.261 19.048 -9.727 1.00 1.32 C ATOM 1727 O GLU B 32 6.970 19.873 -10.302 1.00 1.41 O ATOM 1728 CB GLU B 32 4.617 20.218 -8.264 1.00 1.65 C ATOM 1729 CG GLU B 32 3.174 20.704 -8.050 1.00 2.04 C ATOM 1730 CD GLU B 32 2.689 20.292 -6.665 1.00 2.49 C ATOM 1731 OE1 GLU B 32 2.996 21.010 -5.690 1.00 2.74 O ATOM 1732 OE2 GLU B 32 2.006 19.252 -6.555 1.00 3.19 O ATOM 0 H GLU B 32 3.586 17.966 -8.413 1.00 1.14 H new ATOM 0 HA GLU B 32 4.372 19.819 -10.371 1.00 1.35 H new ATOM 0 HB2 GLU B 32 4.944 19.674 -7.378 1.00 1.65 H new ATOM 0 HB3 GLU B 32 5.272 21.083 -8.367 1.00 1.65 H new ATOM 0 HG2 GLU B 32 3.127 21.788 -8.154 1.00 2.04 H new ATOM 0 HG3 GLU B 32 2.521 20.282 -8.814 1.00 2.04 H new ATOM 1739 N ASP B 33 6.722 17.904 -9.260 1.00 1.25 N ATOM 1740 CA ASP B 33 8.130 17.526 -9.392 1.00 1.28 C ATOM 1741 C ASP B 33 8.354 16.587 -10.577 1.00 1.13 C ATOM 1742 O ASP B 33 9.433 16.012 -10.718 1.00 1.16 O ATOM 1743 CB ASP B 33 8.612 16.863 -8.102 1.00 1.45 C ATOM 1744 CG ASP B 33 7.925 15.519 -7.905 1.00 1.42 C ATOM 1745 OD1 ASP B 33 6.678 15.481 -7.942 1.00 1.38 O ATOM 1746 OD2 ASP B 33 8.633 14.508 -7.717 1.00 1.58 O ATOM 0 H ASP B 33 6.145 17.212 -8.782 1.00 1.25 H new ATOM 0 HA ASP B 33 8.705 18.434 -9.575 1.00 1.28 H new ATOM 0 HB2 ASP B 33 9.692 16.724 -8.139 1.00 1.45 H new ATOM 0 HB3 ASP B 33 8.403 17.513 -7.252 1.00 1.45 H new ATOM 1751 N LYS B 34 7.345 16.436 -11.430 1.00 1.03 N ATOM 1752 CA LYS B 34 7.458 15.569 -12.596 1.00 0.94 C ATOM 1753 C LYS B 34 6.974 16.307 -13.842 1.00 0.92 C ATOM 1754 O LYS B 34 5.904 16.916 -13.832 1.00 0.96 O ATOM 1755 CB LYS B 34 6.631 14.305 -12.384 1.00 0.92 C ATOM 1756 CG LYS B 34 7.013 13.601 -11.084 1.00 1.00 C ATOM 1757 CD LYS B 34 8.019 12.479 -11.333 1.00 1.15 C ATOM 1758 CE LYS B 34 8.233 11.628 -10.080 1.00 1.10 C ATOM 1759 NZ LYS B 34 9.657 11.660 -9.636 1.00 1.40 N ATOM 0 H LYS B 34 6.443 16.902 -11.335 1.00 1.03 H new ATOM 0 HA LYS B 34 8.503 15.291 -12.733 1.00 0.94 H new ATOM 0 HB2 LYS B 34 5.572 14.561 -12.363 1.00 0.92 H new ATOM 0 HB3 LYS B 34 6.779 13.626 -13.224 1.00 0.92 H new ATOM 0 HG2 LYS B 34 7.437 14.324 -10.388 1.00 1.00 H new ATOM 0 HG3 LYS B 34 6.119 13.192 -10.613 1.00 1.00 H new ATOM 0 HD2 LYS B 34 7.666 11.847 -12.147 1.00 1.15 H new ATOM 0 HD3 LYS B 34 8.970 12.906 -11.651 1.00 1.15 H new ATOM 0 HE2 LYS B 34 7.592 11.992 -9.277 1.00 1.10 H new ATOM 0 HE3 LYS B 34 7.937 10.599 -10.283 1.00 1.10 H new ATOM 0 HZ1 LYS B 34 9.768 11.073 -8.785 1.00 1.40 H new ATOM 0 HZ2 LYS B 34 10.265 11.290 -10.394 1.00 1.40 H new ATOM 0 HZ3 LYS B 34 9.931 12.640 -9.420 1.00 1.40 H new ATOM 1773 N PRO B 35 7.759 16.274 -14.935 1.00 0.98 N ATOM 1774 CA PRO B 35 7.397 16.955 -16.187 1.00 1.06 C ATOM 1775 C PRO B 35 6.278 16.234 -16.929 1.00 0.99 C ATOM 1776 O PRO B 35 5.431 16.867 -17.559 1.00 1.10 O ATOM 1777 CB PRO B 35 8.685 16.943 -17.000 1.00 1.21 C ATOM 1778 CG PRO B 35 9.471 15.785 -16.480 1.00 1.19 C ATOM 1779 CD PRO B 35 9.051 15.574 -15.044 1.00 1.07 C ATOM 0 HA PRO B 35 7.016 17.960 -16.007 1.00 1.06 H new ATOM 0 HB2 PRO B 35 8.477 16.831 -18.064 1.00 1.21 H new ATOM 0 HB3 PRO B 35 9.234 17.877 -16.880 1.00 1.21 H new ATOM 0 HG2 PRO B 35 9.279 14.891 -17.073 1.00 1.19 H new ATOM 0 HG3 PRO B 35 10.541 15.985 -16.543 1.00 1.19 H new ATOM 0 HD2 PRO B 35 8.950 14.514 -14.811 1.00 1.07 H new ATOM 0 HD3 PRO B 35 9.785 15.984 -14.351 1.00 1.07 H new ATOM 1787 N HIS B 36 6.277 14.909 -16.848 1.00 0.90 N ATOM 1788 CA HIS B 36 5.256 14.104 -17.509 1.00 0.87 C ATOM 1789 C HIS B 36 4.361 13.431 -16.476 1.00 0.75 C ATOM 1790 O HIS B 36 4.788 13.153 -15.356 1.00 0.72 O ATOM 1791 CB HIS B 36 5.906 13.049 -18.397 1.00 0.97 C ATOM 1792 CG HIS B 36 6.715 13.636 -19.513 1.00 1.16 C ATOM 1793 ND1 HIS B 36 6.158 14.280 -20.588 1.00 1.62 N ATOM 1794 CD2 HIS B 36 8.055 13.677 -19.737 1.00 1.35 C ATOM 1795 CE1 HIS B 36 7.084 14.693 -21.422 1.00 1.72 C ATOM 1796 NE2 HIS B 36 8.262 14.342 -20.933 1.00 1.45 N ATOM 0 H HIS B 36 6.971 14.369 -16.332 1.00 0.90 H new ATOM 0 HA HIS B 36 4.647 14.762 -18.129 1.00 0.87 H new ATOM 0 HB2 HIS B 36 6.548 12.414 -17.786 1.00 0.97 H new ATOM 0 HB3 HIS B 36 5.130 12.408 -18.817 1.00 0.97 H new ATOM 0 HD2 HIS B 36 8.821 13.265 -19.097 1.00 1.35 H new ATOM 0 HE1 HIS B 36 6.914 15.226 -22.346 1.00 1.72 H new ATOM 0 HE2 HIS B 36 9.168 14.529 -21.364 1.00 1.45 H new ATOM 1804 N PRO B 37 3.101 13.161 -16.848 1.00 0.72 N ATOM 1805 CA PRO B 37 2.129 12.516 -15.958 1.00 0.64 C ATOM 1806 C PRO B 37 2.359 11.009 -15.873 1.00 0.66 C ATOM 1807 O PRO B 37 2.873 10.398 -16.810 1.00 0.93 O ATOM 1808 CB PRO B 37 0.785 12.832 -16.599 1.00 0.69 C ATOM 1809 CG PRO B 37 1.073 13.056 -18.050 1.00 0.80 C ATOM 1810 CD PRO B 37 2.524 13.465 -18.166 1.00 0.81 C ATOM 0 HA PRO B 37 2.203 12.875 -14.931 1.00 0.64 H new ATOM 0 HB2 PRO B 37 0.082 12.010 -16.461 1.00 0.69 H new ATOM 0 HB3 PRO B 37 0.334 13.716 -16.148 1.00 0.69 H new ATOM 0 HG2 PRO B 37 0.883 12.149 -18.623 1.00 0.80 H new ATOM 0 HG3 PRO B 37 0.422 13.831 -18.455 1.00 0.80 H new ATOM 0 HD2 PRO B 37 3.030 12.912 -18.957 1.00 0.81 H new ATOM 0 HD3 PRO B 37 2.620 14.524 -18.406 1.00 0.81 H new ATOM 1818 N LEU B 38 1.990 10.418 -14.741 1.00 0.58 N ATOM 1819 CA LEU B 38 2.175 8.984 -14.532 1.00 0.59 C ATOM 1820 C LEU B 38 0.847 8.240 -14.596 1.00 0.55 C ATOM 1821 O LEU B 38 -0.162 8.697 -14.060 1.00 0.50 O ATOM 1822 CB LEU B 38 2.828 8.738 -13.175 1.00 0.61 C ATOM 1823 CG LEU B 38 4.161 9.476 -13.055 1.00 0.78 C ATOM 1824 CD1 LEU B 38 4.567 9.615 -11.590 1.00 1.34 C ATOM 1825 CD2 LEU B 38 5.255 8.764 -13.850 1.00 1.17 C ATOM 0 H LEU B 38 1.562 10.908 -13.955 1.00 0.58 H new ATOM 0 HA LEU B 38 2.819 8.609 -15.327 1.00 0.59 H new ATOM 0 HB2 LEU B 38 2.156 9.066 -12.382 1.00 0.61 H new ATOM 0 HB3 LEU B 38 2.988 7.669 -13.035 1.00 0.61 H new ATOM 0 HG LEU B 38 4.033 10.474 -13.475 1.00 0.78 H new ATOM 0 HD11 LEU B 38 5.518 10.143 -11.525 1.00 1.34 H new ATOM 0 HD12 LEU B 38 3.803 10.176 -11.052 1.00 1.34 H new ATOM 0 HD13 LEU B 38 4.670 8.625 -11.146 1.00 1.34 H new ATOM 0 HD21 LEU B 38 6.193 9.310 -13.748 1.00 1.17 H new ATOM 0 HD22 LEU B 38 5.381 7.751 -13.468 1.00 1.17 H new ATOM 0 HD23 LEU B 38 4.972 8.723 -14.902 1.00 1.17 H new ATOM 1837 N GLN B 39 0.866 7.076 -15.240 1.00 0.60 N ATOM 1838 CA GLN B 39 -0.326 6.242 -15.362 1.00 0.60 C ATOM 1839 C GLN B 39 -0.551 5.500 -14.050 1.00 0.59 C ATOM 1840 O GLN B 39 0.313 4.747 -13.599 1.00 0.65 O ATOM 1841 CB GLN B 39 -0.152 5.252 -16.516 1.00 0.72 C ATOM 1842 CG GLN B 39 -1.257 4.197 -16.538 1.00 0.85 C ATOM 1843 CD GLN B 39 -0.914 3.100 -17.537 1.00 1.42 C ATOM 1844 OE1 GLN B 39 0.156 3.114 -18.147 1.00 1.92 O ATOM 1845 NE2 GLN B 39 -1.822 2.147 -17.707 1.00 1.63 N ATOM 0 H GLN B 39 1.697 6.688 -15.687 1.00 0.60 H new ATOM 0 HA GLN B 39 -1.194 6.866 -15.573 1.00 0.60 H new ATOM 0 HB2 GLN B 39 -0.150 5.794 -17.461 1.00 0.72 H new ATOM 0 HB3 GLN B 39 0.817 4.760 -16.429 1.00 0.72 H new ATOM 0 HG2 GLN B 39 -1.381 3.768 -15.544 1.00 0.85 H new ATOM 0 HG3 GLN B 39 -2.207 4.660 -16.806 1.00 0.85 H new ATOM 0 HE21 GLN B 39 -2.695 2.175 -17.181 1.00 1.63 H new ATOM 0 HE22 GLN B 39 -1.647 1.387 -18.364 1.00 1.63 H new ATOM 1854 N CYS B 40 -1.701 5.730 -13.428 1.00 0.54 N ATOM 1855 CA CYS B 40 -2.016 5.094 -12.152 1.00 0.56 C ATOM 1856 C CYS B 40 -3.439 4.550 -12.161 1.00 0.55 C ATOM 1857 O CYS B 40 -4.283 5.005 -12.932 1.00 0.58 O ATOM 1858 CB CYS B 40 -1.855 6.105 -11.012 1.00 0.56 C ATOM 1859 SG CYS B 40 -0.521 7.278 -11.295 1.00 1.11 S ATOM 0 H CYS B 40 -2.429 6.349 -13.784 1.00 0.54 H new ATOM 0 HA CYS B 40 -1.326 4.264 -11.999 1.00 0.56 H new ATOM 0 HB2 CYS B 40 -2.790 6.651 -10.883 1.00 0.56 H new ATOM 0 HB3 CYS B 40 -1.668 5.568 -10.082 1.00 0.56 H new ATOM 0 HG CYS B 40 -0.612 7.756 -12.501 1.00 1.11 H new ATOM 1865 N GLN B 41 -3.700 3.578 -11.291 1.00 0.57 N ATOM 1866 CA GLN B 41 -5.026 2.978 -11.187 1.00 0.58 C ATOM 1867 C GLN B 41 -5.621 3.284 -9.822 1.00 0.57 C ATOM 1868 O GLN B 41 -4.899 3.397 -8.831 1.00 0.65 O ATOM 1869 CB GLN B 41 -4.943 1.475 -11.419 1.00 0.67 C ATOM 1870 CG GLN B 41 -4.668 1.176 -12.890 1.00 0.72 C ATOM 1871 CD GLN B 41 -4.553 -0.328 -13.117 1.00 1.26 C ATOM 1872 OE1 GLN B 41 -5.153 -0.870 -14.046 1.00 1.80 O ATOM 1873 NE2 GLN B 41 -3.783 -1.008 -12.271 1.00 2.04 N ATOM 0 H GLN B 41 -3.010 3.189 -10.648 1.00 0.57 H new ATOM 0 HA GLN B 41 -5.675 3.403 -11.953 1.00 0.58 H new ATOM 0 HB2 GLN B 41 -4.153 1.049 -10.801 1.00 0.67 H new ATOM 0 HB3 GLN B 41 -5.876 1.002 -11.114 1.00 0.67 H new ATOM 0 HG2 GLN B 41 -5.470 1.582 -13.506 1.00 0.72 H new ATOM 0 HG3 GLN B 41 -3.747 1.668 -13.201 1.00 0.72 H new ATOM 0 HE21 GLN B 41 -3.303 -0.521 -11.514 1.00 2.04 H new ATOM 0 HE22 GLN B 41 -3.673 -2.016 -12.379 1.00 2.04 H new ATOM 1882 N PHE B 42 -6.937 3.451 -9.780 1.00 0.52 N ATOM 1883 CA PHE B 42 -7.622 3.785 -8.538 1.00 0.52 C ATOM 1884 C PHE B 42 -8.722 2.781 -8.212 1.00 0.57 C ATOM 1885 O PHE B 42 -9.396 2.266 -9.105 1.00 0.57 O ATOM 1886 CB PHE B 42 -8.218 5.178 -8.664 1.00 0.47 C ATOM 1887 CG PHE B 42 -7.173 6.217 -8.965 1.00 0.39 C ATOM 1888 CD1 PHE B 42 -6.687 6.357 -10.254 1.00 0.39 C ATOM 1889 CD2 PHE B 42 -6.690 7.021 -7.952 1.00 0.41 C ATOM 1890 CE1 PHE B 42 -5.714 7.302 -10.528 1.00 0.40 C ATOM 1891 CE2 PHE B 42 -5.718 7.971 -8.224 1.00 0.40 C ATOM 1892 CZ PHE B 42 -5.229 8.110 -9.515 1.00 0.39 C ATOM 0 H PHE B 42 -7.550 3.361 -10.590 1.00 0.52 H new ATOM 0 HA PHE B 42 -6.897 3.753 -7.725 1.00 0.52 H new ATOM 0 HB2 PHE B 42 -8.969 5.180 -9.454 1.00 0.47 H new ATOM 0 HB3 PHE B 42 -8.730 5.438 -7.737 1.00 0.47 H new ATOM 0 HD1 PHE B 42 -7.067 5.729 -11.046 1.00 0.39 H new ATOM 0 HD2 PHE B 42 -7.070 6.910 -6.947 1.00 0.41 H new ATOM 0 HE1 PHE B 42 -5.333 7.409 -11.533 1.00 0.40 H new ATOM 0 HE2 PHE B 42 -5.342 8.602 -7.432 1.00 0.40 H new ATOM 0 HZ PHE B 42 -4.470 8.848 -9.729 1.00 0.39 H new ATOM 1902 N PHE B 43 -8.910 2.529 -6.919 1.00 0.62 N ATOM 1903 CA PHE B 43 -9.944 1.610 -6.448 1.00 0.69 C ATOM 1904 C PHE B 43 -11.221 2.395 -6.189 1.00 0.66 C ATOM 1905 O PHE B 43 -11.564 2.694 -5.046 1.00 0.72 O ATOM 1906 CB PHE B 43 -9.486 0.927 -5.168 1.00 0.80 C ATOM 1907 CG PHE B 43 -10.399 -0.190 -4.721 1.00 0.88 C ATOM 1908 CD1 PHE B 43 -11.484 0.085 -3.903 1.00 0.94 C ATOM 1909 CD2 PHE B 43 -10.151 -1.492 -5.121 1.00 0.97 C ATOM 1910 CE1 PHE B 43 -12.318 -0.940 -3.489 1.00 1.05 C ATOM 1911 CE2 PHE B 43 -10.985 -2.518 -4.706 1.00 1.07 C ATOM 1912 CZ PHE B 43 -12.069 -2.241 -3.891 1.00 1.09 C ATOM 0 H PHE B 43 -8.356 2.951 -6.174 1.00 0.62 H new ATOM 0 HA PHE B 43 -10.129 0.847 -7.204 1.00 0.69 H new ATOM 0 HB2 PHE B 43 -8.483 0.528 -5.318 1.00 0.80 H new ATOM 0 HB3 PHE B 43 -9.418 1.670 -4.373 1.00 0.80 H new ATOM 0 HD1 PHE B 43 -11.679 1.100 -3.588 1.00 0.94 H new ATOM 0 HD2 PHE B 43 -9.306 -1.709 -5.758 1.00 0.97 H new ATOM 0 HE1 PHE B 43 -13.163 -0.724 -2.852 1.00 1.05 H new ATOM 0 HE2 PHE B 43 -10.789 -3.533 -5.018 1.00 1.07 H new ATOM 0 HZ PHE B 43 -12.720 -3.040 -3.569 1.00 1.09 H new ATOM 1922 N VAL B 44 -11.901 2.752 -7.267 1.00 0.66 N ATOM 1923 CA VAL B 44 -13.130 3.537 -7.186 1.00 0.67 C ATOM 1924 C VAL B 44 -14.342 2.663 -6.893 1.00 0.77 C ATOM 1925 O VAL B 44 -14.320 1.451 -7.105 1.00 0.85 O ATOM 1926 CB VAL B 44 -13.349 4.285 -8.501 1.00 0.57 C ATOM 1927 CG1 VAL B 44 -12.137 5.148 -8.832 1.00 0.60 C ATOM 1928 CG2 VAL B 44 -13.632 3.311 -9.646 1.00 0.56 C ATOM 0 H VAL B 44 -11.622 2.510 -8.218 1.00 0.66 H new ATOM 0 HA VAL B 44 -13.019 4.244 -6.364 1.00 0.67 H new ATOM 0 HB VAL B 44 -14.218 4.931 -8.379 1.00 0.57 H new ATOM 0 HG11 VAL B 44 -12.310 5.673 -9.771 1.00 0.60 H new ATOM 0 HG12 VAL B 44 -11.978 5.874 -8.034 1.00 0.60 H new ATOM 0 HG13 VAL B 44 -11.255 4.515 -8.928 1.00 0.60 H new ATOM 0 HG21 VAL B 44 -13.784 3.870 -10.570 1.00 0.56 H new ATOM 0 HG22 VAL B 44 -12.786 2.635 -9.766 1.00 0.56 H new ATOM 0 HG23 VAL B 44 -14.528 2.734 -9.419 1.00 0.56 H new ATOM 1938 N GLU B 45 -15.412 3.305 -6.431 1.00 0.85 N ATOM 1939 CA GLU B 45 -16.663 2.614 -6.134 1.00 0.98 C ATOM 1940 C GLU B 45 -17.588 2.755 -7.333 1.00 0.90 C ATOM 1941 O GLU B 45 -18.327 1.834 -7.682 1.00 1.02 O ATOM 1942 CB GLU B 45 -17.335 3.204 -4.891 1.00 1.14 C ATOM 1943 CG GLU B 45 -16.319 3.766 -3.897 1.00 1.32 C ATOM 1944 CD GLU B 45 -17.037 4.405 -2.715 1.00 1.82 C ATOM 1945 OE1 GLU B 45 -17.931 5.246 -2.947 1.00 2.40 O ATOM 1946 OE2 GLU B 45 -16.704 4.065 -1.561 1.00 2.18 O ATOM 0 H GLU B 45 -15.437 4.309 -6.253 1.00 0.85 H new ATOM 0 HA GLU B 45 -16.453 1.563 -5.935 1.00 0.98 H new ATOM 0 HB2 GLU B 45 -18.022 3.995 -5.192 1.00 1.14 H new ATOM 0 HB3 GLU B 45 -17.931 2.433 -4.402 1.00 1.14 H new ATOM 0 HG2 GLU B 45 -15.664 2.969 -3.546 1.00 1.32 H new ATOM 0 HG3 GLU B 45 -15.687 4.504 -4.390 1.00 1.32 H new ATOM 1953 N SER B 46 -17.519 3.923 -7.965 1.00 0.75 N ATOM 1954 CA SER B 46 -18.321 4.225 -9.143 1.00 0.71 C ATOM 1955 C SER B 46 -17.409 4.690 -10.273 1.00 0.62 C ATOM 1956 O SER B 46 -16.382 5.324 -10.029 1.00 0.59 O ATOM 1957 CB SER B 46 -19.342 5.309 -8.817 1.00 0.74 C ATOM 1958 OG SER B 46 -19.581 5.364 -7.419 1.00 1.00 O ATOM 0 H SER B 46 -16.906 4.685 -7.674 1.00 0.75 H new ATOM 0 HA SER B 46 -18.853 3.327 -9.456 1.00 0.71 H new ATOM 0 HB2 SER B 46 -18.980 6.275 -9.168 1.00 0.74 H new ATOM 0 HB3 SER B 46 -20.275 5.108 -9.344 1.00 0.74 H new ATOM 0 HG SER B 46 -20.237 6.066 -7.227 1.00 1.00 H new ATOM 1964 N VAL B 47 -17.777 4.366 -11.507 1.00 0.62 N ATOM 1965 CA VAL B 47 -16.976 4.747 -12.667 1.00 0.59 C ATOM 1966 C VAL B 47 -16.978 6.260 -12.855 1.00 0.57 C ATOM 1967 O VAL B 47 -18.035 6.890 -12.908 1.00 0.67 O ATOM 1968 CB VAL B 47 -17.510 4.064 -13.921 1.00 0.67 C ATOM 1969 CG1 VAL B 47 -16.699 4.480 -15.147 1.00 0.71 C ATOM 1970 CG2 VAL B 47 -17.487 2.546 -13.760 1.00 0.75 C ATOM 0 H VAL B 47 -18.623 3.842 -11.731 1.00 0.62 H new ATOM 0 HA VAL B 47 -15.949 4.424 -12.494 1.00 0.59 H new ATOM 0 HB VAL B 47 -18.543 4.380 -14.066 1.00 0.67 H new ATOM 0 HG11 VAL B 47 -17.096 3.982 -16.032 1.00 0.71 H new ATOM 0 HG12 VAL B 47 -16.766 5.560 -15.278 1.00 0.71 H new ATOM 0 HG13 VAL B 47 -15.656 4.195 -15.007 1.00 0.71 H new ATOM 0 HG21 VAL B 47 -17.872 2.078 -14.666 1.00 0.75 H new ATOM 0 HG22 VAL B 47 -16.463 2.214 -13.587 1.00 0.75 H new ATOM 0 HG23 VAL B 47 -18.109 2.261 -12.912 1.00 0.75 H new ATOM 1980 N ILE B 48 -15.783 6.836 -12.964 1.00 0.49 N ATOM 1981 CA ILE B 48 -15.630 8.276 -13.157 1.00 0.49 C ATOM 1982 C ILE B 48 -15.409 8.582 -14.636 1.00 0.52 C ATOM 1983 O ILE B 48 -14.607 7.924 -15.296 1.00 0.53 O ATOM 1984 CB ILE B 48 -14.443 8.781 -12.342 1.00 0.46 C ATOM 1985 CG1 ILE B 48 -14.672 8.524 -10.856 1.00 0.45 C ATOM 1986 CG2 ILE B 48 -14.200 10.269 -12.588 1.00 0.50 C ATOM 1987 CD1 ILE B 48 -13.402 8.792 -10.053 1.00 0.43 C ATOM 0 H ILE B 48 -14.902 6.324 -12.922 1.00 0.49 H new ATOM 0 HA ILE B 48 -16.537 8.779 -12.821 1.00 0.49 H new ATOM 0 HB ILE B 48 -13.557 8.234 -12.664 1.00 0.46 H new ATOM 0 HG12 ILE B 48 -15.478 9.162 -10.493 1.00 0.45 H new ATOM 0 HG13 ILE B 48 -14.990 7.492 -10.706 1.00 0.45 H new ATOM 0 HG21 ILE B 48 -13.348 10.602 -11.994 1.00 0.50 H new ATOM 0 HG22 ILE B 48 -13.992 10.434 -13.645 1.00 0.50 H new ATOM 0 HG23 ILE B 48 -15.086 10.835 -12.300 1.00 0.50 H new ATOM 0 HD11 ILE B 48 -13.592 8.601 -8.997 1.00 0.43 H new ATOM 0 HD12 ILE B 48 -12.605 8.135 -10.402 1.00 0.43 H new ATOM 0 HD13 ILE B 48 -13.100 9.831 -10.185 1.00 0.43 H new ATOM 1999 N PRO B 49 -16.113 9.590 -15.179 1.00 0.56 N ATOM 2000 CA PRO B 49 -15.974 9.975 -16.594 1.00 0.62 C ATOM 2001 C PRO B 49 -14.598 10.552 -16.905 1.00 0.62 C ATOM 2002 O PRO B 49 -14.097 11.423 -16.193 1.00 0.63 O ATOM 2003 CB PRO B 49 -17.072 11.006 -16.809 1.00 0.67 C ATOM 2004 CG PRO B 49 -17.348 11.561 -15.454 1.00 0.64 C ATOM 2005 CD PRO B 49 -17.092 10.436 -14.479 1.00 0.58 C ATOM 0 HA PRO B 49 -16.068 9.116 -17.259 1.00 0.62 H new ATOM 0 HB2 PRO B 49 -16.751 11.787 -17.498 1.00 0.67 H new ATOM 0 HB3 PRO B 49 -17.964 10.550 -17.238 1.00 0.67 H new ATOM 0 HG2 PRO B 49 -16.702 12.413 -15.243 1.00 0.64 H new ATOM 0 HG3 PRO B 49 -18.377 11.914 -15.380 1.00 0.64 H new ATOM 0 HD2 PRO B 49 -16.698 10.807 -13.533 1.00 0.58 H new ATOM 0 HD3 PRO B 49 -18.006 9.887 -14.251 1.00 0.58 H new ATOM 2013 N ALA B 50 -13.991 10.046 -17.972 1.00 0.64 N ATOM 2014 CA ALA B 50 -12.663 10.484 -18.398 1.00 0.65 C ATOM 2015 C ALA B 50 -12.587 12.006 -18.464 1.00 0.68 C ATOM 2016 O ALA B 50 -13.427 12.657 -19.087 1.00 0.78 O ATOM 2017 CB ALA B 50 -12.339 9.873 -19.762 1.00 0.70 C ATOM 0 H ALA B 50 -14.401 9.324 -18.565 1.00 0.64 H new ATOM 0 HA ALA B 50 -11.929 10.145 -17.667 1.00 0.65 H new ATOM 0 HB1 ALA B 50 -11.349 10.199 -20.081 1.00 0.70 H new ATOM 0 HB2 ALA B 50 -12.356 8.786 -19.687 1.00 0.70 H new ATOM 0 HB3 ALA B 50 -13.080 10.198 -20.492 1.00 0.70 H new ATOM 2023 N GLY B 51 -11.570 12.563 -17.812 1.00 0.63 N ATOM 2024 CA GLY B 51 -11.365 14.009 -17.781 1.00 0.67 C ATOM 2025 C GLY B 51 -10.420 14.392 -16.646 1.00 0.62 C ATOM 2026 O GLY B 51 -10.251 13.638 -15.687 1.00 0.57 O ATOM 0 H GLY B 51 -10.870 12.031 -17.295 1.00 0.63 H new ATOM 0 HA2 GLY B 51 -10.953 14.344 -18.733 1.00 0.67 H new ATOM 0 HA3 GLY B 51 -12.322 14.515 -17.652 1.00 0.67 H new ATOM 2030 N SER B 52 -9.804 15.565 -16.759 1.00 0.66 N ATOM 2031 CA SER B 52 -8.872 16.045 -15.741 1.00 0.63 C ATOM 2032 C SER B 52 -9.627 16.668 -14.575 1.00 0.63 C ATOM 2033 O SER B 52 -10.505 17.509 -14.767 1.00 0.69 O ATOM 2034 CB SER B 52 -7.911 17.060 -16.349 1.00 0.70 C ATOM 2035 OG SER B 52 -8.521 17.723 -17.447 1.00 0.95 O ATOM 0 H SER B 52 -9.933 16.202 -17.545 1.00 0.66 H new ATOM 0 HA SER B 52 -8.300 15.196 -15.366 1.00 0.63 H new ATOM 0 HB2 SER B 52 -7.616 17.789 -15.594 1.00 0.70 H new ATOM 0 HB3 SER B 52 -7.002 16.557 -16.679 1.00 0.70 H new ATOM 0 HG SER B 52 -9.102 18.439 -17.115 1.00 0.95 H new ATOM 2041 N TYR B 53 -9.282 16.241 -13.363 1.00 0.58 N ATOM 2042 CA TYR B 53 -9.930 16.746 -12.156 1.00 0.59 C ATOM 2043 C TYR B 53 -8.904 17.206 -11.129 1.00 0.58 C ATOM 2044 O TYR B 53 -7.782 16.704 -11.082 1.00 0.55 O ATOM 2045 CB TYR B 53 -10.769 15.645 -11.510 1.00 0.53 C ATOM 2046 CG TYR B 53 -12.071 15.362 -12.212 1.00 0.55 C ATOM 2047 CD1 TYR B 53 -12.099 14.549 -13.333 1.00 0.56 C ATOM 2048 CD2 TYR B 53 -13.246 15.904 -11.723 1.00 0.60 C ATOM 2049 CE1 TYR B 53 -13.303 14.284 -13.965 1.00 0.61 C ATOM 2050 CE2 TYR B 53 -14.448 15.639 -12.356 1.00 0.65 C ATOM 2051 CZ TYR B 53 -14.472 14.832 -13.474 1.00 0.65 C ATOM 2052 OH TYR B 53 -15.672 14.570 -14.101 1.00 0.71 O ATOM 0 H TYR B 53 -8.556 15.545 -13.191 1.00 0.58 H new ATOM 0 HA TYR B 53 -10.556 17.587 -12.454 1.00 0.59 H new ATOM 0 HB2 TYR B 53 -10.181 14.728 -11.478 1.00 0.53 H new ATOM 0 HB3 TYR B 53 -10.980 15.924 -10.478 1.00 0.53 H new ATOM 0 HD1 TYR B 53 -11.183 14.122 -13.714 1.00 0.56 H new ATOM 0 HD2 TYR B 53 -13.225 16.535 -10.846 1.00 0.60 H new ATOM 0 HE1 TYR B 53 -13.328 13.651 -14.839 1.00 0.61 H new ATOM 0 HE2 TYR B 53 -15.365 16.063 -11.975 1.00 0.65 H new ATOM 0 HH TYR B 53 -16.396 15.031 -13.628 1.00 0.71 H new ATOM 2062 N GLN B 54 -9.333 18.117 -10.264 1.00 0.63 N ATOM 2063 CA GLN B 54 -8.502 18.610 -9.172 1.00 0.65 C ATOM 2064 C GLN B 54 -9.060 18.004 -7.898 1.00 0.62 C ATOM 2065 O GLN B 54 -9.955 18.562 -7.262 1.00 0.67 O ATOM 2066 CB GLN B 54 -8.533 20.130 -9.099 1.00 0.74 C ATOM 2067 CG GLN B 54 -7.906 20.759 -10.345 1.00 0.82 C ATOM 2068 CD GLN B 54 -7.516 22.224 -10.099 1.00 1.15 C ATOM 2069 OE1 GLN B 54 -7.717 23.064 -10.976 1.00 1.84 O ATOM 2070 NE2 GLN B 54 -6.962 22.555 -8.922 1.00 1.58 N ATOM 0 H GLN B 54 -10.263 18.534 -10.299 1.00 0.63 H new ATOM 0 HA GLN B 54 -7.460 18.326 -9.323 1.00 0.65 H new ATOM 0 HB2 GLN B 54 -9.563 20.470 -8.996 1.00 0.74 H new ATOM 0 HB3 GLN B 54 -7.997 20.465 -8.211 1.00 0.74 H new ATOM 0 HG2 GLN B 54 -7.023 20.190 -10.636 1.00 0.82 H new ATOM 0 HG3 GLN B 54 -8.610 20.703 -11.176 1.00 0.82 H new ATOM 0 HE21 GLN B 54 -6.806 21.839 -8.212 1.00 1.58 H new ATOM 0 HE22 GLN B 54 -6.697 23.522 -8.737 1.00 1.58 H new ATOM 2079 N VAL B 55 -8.577 16.816 -7.589 1.00 0.56 N ATOM 2080 CA VAL B 55 -9.067 16.047 -6.450 1.00 0.53 C ATOM 2081 C VAL B 55 -8.418 16.432 -5.120 1.00 0.57 C ATOM 2082 O VAL B 55 -7.195 16.395 -4.982 1.00 0.56 O ATOM 2083 CB VAL B 55 -8.811 14.564 -6.709 1.00 0.47 C ATOM 2084 CG1 VAL B 55 -9.525 13.712 -5.665 1.00 0.46 C ATOM 2085 CG2 VAL B 55 -9.250 14.167 -8.118 1.00 0.44 C ATOM 0 H VAL B 55 -7.836 16.354 -8.116 1.00 0.56 H new ATOM 0 HA VAL B 55 -10.130 16.267 -6.358 1.00 0.53 H new ATOM 0 HB VAL B 55 -7.738 14.387 -6.630 1.00 0.47 H new ATOM 0 HG11 VAL B 55 -9.333 12.657 -5.863 1.00 0.46 H new ATOM 0 HG12 VAL B 55 -9.156 13.968 -4.672 1.00 0.46 H new ATOM 0 HG13 VAL B 55 -10.597 13.901 -5.713 1.00 0.46 H new ATOM 0 HG21 VAL B 55 -9.056 13.106 -8.274 1.00 0.44 H new ATOM 0 HG22 VAL B 55 -10.316 14.362 -8.235 1.00 0.44 H new ATOM 0 HG23 VAL B 55 -8.692 14.750 -8.851 1.00 0.44 H new ATOM 2095 N PRO B 56 -9.247 16.740 -4.097 1.00 0.60 N ATOM 2096 CA PRO B 56 -8.767 17.054 -2.748 1.00 0.63 C ATOM 2097 C PRO B 56 -8.444 15.772 -1.994 1.00 0.60 C ATOM 2098 O PRO B 56 -9.340 14.985 -1.687 1.00 0.67 O ATOM 2099 CB PRO B 56 -9.933 17.783 -2.095 1.00 0.68 C ATOM 2100 CG PRO B 56 -11.155 17.340 -2.830 1.00 0.66 C ATOM 2101 CD PRO B 56 -10.715 16.818 -4.178 1.00 0.61 C ATOM 0 HA PRO B 56 -7.855 17.652 -2.752 1.00 0.63 H new ATOM 0 HB2 PRO B 56 -10.004 17.537 -1.035 1.00 0.68 H new ATOM 0 HB3 PRO B 56 -9.806 18.863 -2.164 1.00 0.68 H new ATOM 0 HG2 PRO B 56 -11.677 16.564 -2.271 1.00 0.66 H new ATOM 0 HG3 PRO B 56 -11.851 18.170 -2.950 1.00 0.66 H new ATOM 0 HD2 PRO B 56 -11.151 15.841 -4.384 1.00 0.61 H new ATOM 0 HD3 PRO B 56 -11.031 17.484 -4.981 1.00 0.61 H new ATOM 2109 N TYR B 57 -7.166 15.546 -1.719 1.00 0.56 N ATOM 2110 CA TYR B 57 -6.749 14.331 -1.027 1.00 0.54 C ATOM 2111 C TYR B 57 -6.248 14.622 0.378 1.00 0.58 C ATOM 2112 O TYR B 57 -5.954 15.764 0.730 1.00 0.61 O ATOM 2113 CB TYR B 57 -5.650 13.629 -1.821 1.00 0.50 C ATOM 2114 CG TYR B 57 -4.345 14.388 -1.821 1.00 0.51 C ATOM 2115 CD1 TYR B 57 -3.428 14.196 -0.800 1.00 0.55 C ATOM 2116 CD2 TYR B 57 -4.061 15.278 -2.842 1.00 0.53 C ATOM 2117 CE1 TYR B 57 -2.231 14.893 -0.803 1.00 0.59 C ATOM 2118 CE2 TYR B 57 -2.864 15.975 -2.843 1.00 0.58 C ATOM 2119 CZ TYR B 57 -1.955 15.779 -1.824 1.00 0.60 C ATOM 2120 OH TYR B 57 -0.766 16.473 -1.825 1.00 0.68 O ATOM 0 H TYR B 57 -6.405 16.181 -1.961 1.00 0.56 H new ATOM 0 HA TYR B 57 -7.623 13.685 -0.947 1.00 0.54 H new ATOM 0 HB2 TYR B 57 -5.486 12.636 -1.404 1.00 0.50 H new ATOM 0 HB3 TYR B 57 -5.984 13.491 -2.849 1.00 0.50 H new ATOM 0 HD1 TYR B 57 -3.647 13.503 -0.001 1.00 0.55 H new ATOM 0 HD2 TYR B 57 -4.774 15.429 -3.639 1.00 0.53 H new ATOM 0 HE1 TYR B 57 -1.515 14.743 -0.008 1.00 0.59 H new ATOM 0 HE2 TYR B 57 -2.643 16.670 -3.639 1.00 0.58 H new ATOM 0 HH TYR B 57 -0.505 16.673 -2.748 1.00 0.68 H new ATOM 2130 N ARG B 58 -6.142 13.557 1.166 1.00 0.60 N ATOM 2131 CA ARG B 58 -5.662 13.633 2.538 1.00 0.66 C ATOM 2132 C ARG B 58 -4.812 12.403 2.824 1.00 0.62 C ATOM 2133 O ARG B 58 -4.881 11.416 2.092 1.00 0.69 O ATOM 2134 CB ARG B 58 -6.827 13.691 3.525 1.00 0.75 C ATOM 2135 CG ARG B 58 -8.086 14.309 2.914 1.00 1.18 C ATOM 2136 CD ARG B 58 -9.282 14.140 3.846 1.00 1.19 C ATOM 2137 NE ARG B 58 -10.350 15.064 3.485 1.00 1.51 N ATOM 2138 CZ ARG B 58 -11.525 15.043 4.108 1.00 1.90 C ATOM 2139 NH1 ARG B 58 -11.614 15.412 5.381 1.00 2.67 N ATOM 2140 NH2 ARG B 58 -12.611 14.647 3.460 1.00 2.09 N ATOM 0 H ARG B 58 -6.388 12.613 0.868 1.00 0.60 H new ATOM 0 HA ARG B 58 -5.072 14.542 2.658 1.00 0.66 H new ATOM 0 HB2 ARG B 58 -7.054 12.683 3.873 1.00 0.75 H new ATOM 0 HB3 ARG B 58 -6.530 14.271 4.399 1.00 0.75 H new ATOM 0 HG2 ARG B 58 -7.918 15.368 2.719 1.00 1.18 H new ATOM 0 HG3 ARG B 58 -8.298 13.838 1.954 1.00 1.18 H new ATOM 0 HD2 ARG B 58 -9.648 13.115 3.794 1.00 1.19 H new ATOM 0 HD3 ARG B 58 -8.974 14.317 4.877 1.00 1.19 H new ATOM 0 HE ARG B 58 -10.193 15.741 2.739 1.00 1.51 H new ATOM 0 HH11 ARG B 58 -10.779 15.713 5.884 1.00 2.67 H new ATOM 0 HH12 ARG B 58 -12.517 15.394 5.855 1.00 2.67 H new ATOM 0 HH21 ARG B 58 -12.546 14.358 2.484 1.00 2.09 H new ATOM 0 HH22 ARG B 58 -13.512 14.631 3.937 1.00 2.09 H new ATOM 2154 N ILE B 59 -4.013 12.455 3.880 1.00 0.57 N ATOM 2155 CA ILE B 59 -3.158 11.326 4.235 1.00 0.56 C ATOM 2156 C ILE B 59 -3.778 10.529 5.378 1.00 0.59 C ATOM 2157 O ILE B 59 -3.708 10.930 6.539 1.00 0.80 O ATOM 2158 CB ILE B 59 -1.768 11.826 4.621 1.00 0.57 C ATOM 2159 CG1 ILE B 59 -1.126 12.556 3.439 1.00 0.60 C ATOM 2160 CG2 ILE B 59 -0.886 10.667 5.075 1.00 0.58 C ATOM 2161 CD1 ILE B 59 0.072 13.394 3.877 1.00 0.63 C ATOM 0 H ILE B 59 -3.937 13.259 4.503 1.00 0.57 H new ATOM 0 HA ILE B 59 -3.065 10.668 3.371 1.00 0.56 H new ATOM 0 HB ILE B 59 -1.868 12.524 5.453 1.00 0.57 H new ATOM 0 HG12 ILE B 59 -0.808 11.829 2.692 1.00 0.60 H new ATOM 0 HG13 ILE B 59 -1.866 13.200 2.963 1.00 0.60 H new ATOM 0 HG21 ILE B 59 0.100 11.044 5.346 1.00 0.58 H new ATOM 0 HG22 ILE B 59 -1.339 10.182 5.940 1.00 0.58 H new ATOM 0 HG23 ILE B 59 -0.788 9.945 4.264 1.00 0.58 H new ATOM 0 HD11 ILE B 59 0.501 13.897 3.010 1.00 0.63 H new ATOM 0 HD12 ILE B 59 -0.251 14.138 4.605 1.00 0.63 H new ATOM 0 HD13 ILE B 59 0.823 12.746 4.329 1.00 0.63 H new ATOM 2173 N ASN B 60 -4.381 9.391 5.044 1.00 0.53 N ATOM 2174 CA ASN B 60 -5.010 8.538 6.051 1.00 0.55 C ATOM 2175 C ASN B 60 -4.054 7.441 6.482 1.00 0.51 C ATOM 2176 O ASN B 60 -3.143 7.071 5.742 1.00 0.61 O ATOM 2177 CB ASN B 60 -6.298 7.914 5.514 1.00 0.69 C ATOM 2178 CG ASN B 60 -7.449 8.180 6.474 1.00 1.32 C ATOM 2179 OD1 ASN B 60 -8.216 7.275 6.807 1.00 1.59 O ATOM 2180 ND2 ASN B 60 -7.570 9.421 6.922 1.00 2.34 N ATOM 0 H ASN B 60 -4.448 9.039 4.089 1.00 0.53 H new ATOM 0 HA ASN B 60 -5.257 9.161 6.911 1.00 0.55 H new ATOM 0 HB2 ASN B 60 -6.530 8.328 4.533 1.00 0.69 H new ATOM 0 HB3 ASN B 60 -6.164 6.840 5.384 1.00 0.69 H new ATOM 0 HD21 ASN B 60 -8.321 9.658 7.570 1.00 2.34 H new ATOM 0 HD22 ASN B 60 -6.912 10.139 6.619 1.00 2.34 H new ATOM 2187 N VAL B 61 -4.268 6.918 7.681 1.00 0.59 N ATOM 2188 CA VAL B 61 -3.424 5.858 8.205 1.00 0.58 C ATOM 2189 C VAL B 61 -4.246 4.589 8.403 1.00 0.67 C ATOM 2190 O VAL B 61 -5.133 4.534 9.256 1.00 0.79 O ATOM 2191 CB VAL B 61 -2.780 6.302 9.521 1.00 0.56 C ATOM 2192 CG1 VAL B 61 -2.064 5.133 10.192 1.00 0.53 C ATOM 2193 CG2 VAL B 61 -1.806 7.456 9.276 1.00 0.58 C ATOM 0 H VAL B 61 -5.018 7.211 8.307 1.00 0.59 H new ATOM 0 HA VAL B 61 -2.629 5.645 7.490 1.00 0.58 H new ATOM 0 HB VAL B 61 -3.569 6.649 10.189 1.00 0.56 H new ATOM 0 HG11 VAL B 61 -1.613 5.470 11.126 1.00 0.53 H new ATOM 0 HG12 VAL B 61 -2.781 4.339 10.401 1.00 0.53 H new ATOM 0 HG13 VAL B 61 -1.286 4.754 9.529 1.00 0.53 H new ATOM 0 HG21 VAL B 61 -1.357 7.760 10.221 1.00 0.58 H new ATOM 0 HG22 VAL B 61 -1.023 7.132 8.590 1.00 0.58 H new ATOM 0 HG23 VAL B 61 -2.343 8.299 8.842 1.00 0.58 H new ATOM 2203 N ASN B 62 -3.941 3.573 7.603 1.00 0.66 N ATOM 2204 CA ASN B 62 -4.639 2.295 7.674 1.00 0.76 C ATOM 2205 C ASN B 62 -3.699 1.208 8.167 1.00 0.75 C ATOM 2206 O ASN B 62 -2.573 1.096 7.694 1.00 0.73 O ATOM 2207 CB ASN B 62 -5.177 1.915 6.302 1.00 0.86 C ATOM 2208 CG ASN B 62 -6.228 0.821 6.432 1.00 1.28 C ATOM 2209 OD1 ASN B 62 -7.158 0.930 7.230 1.00 1.86 O ATOM 2210 ND2 ASN B 62 -6.079 -0.237 5.644 1.00 2.04 N ATOM 0 H ASN B 62 -3.210 3.611 6.893 1.00 0.66 H new ATOM 0 HA ASN B 62 -5.470 2.394 8.373 1.00 0.76 H new ATOM 0 HB2 ASN B 62 -5.611 2.790 5.819 1.00 0.86 H new ATOM 0 HB3 ASN B 62 -4.361 1.571 5.666 1.00 0.86 H new ATOM 0 HD21 ASN B 62 -6.752 -1.003 5.685 1.00 2.04 H new ATOM 0 HD22 ASN B 62 -5.292 -0.284 4.997 1.00 2.04 H new ATOM 2217 N ASN B 63 -4.175 0.410 9.115 1.00 0.83 N ATOM 2218 CA ASN B 63 -3.395 -0.686 9.688 1.00 0.89 C ATOM 2219 C ASN B 63 -1.991 -0.220 10.105 1.00 0.78 C ATOM 2220 O ASN B 63 -1.066 -1.024 10.221 1.00 0.83 O ATOM 2221 CB ASN B 63 -3.371 -1.887 8.707 1.00 1.04 C ATOM 2222 CG ASN B 63 -2.023 -2.071 7.991 1.00 1.10 C ATOM 2223 OD1 ASN B 63 -1.343 -3.075 8.200 1.00 1.69 O ATOM 2224 ND2 ASN B 63 -1.632 -1.114 7.152 1.00 1.34 N ATOM 0 H ASN B 63 -5.111 0.502 9.509 1.00 0.83 H new ATOM 0 HA ASN B 63 -3.877 -1.025 10.605 1.00 0.89 H new ATOM 0 HB2 ASN B 63 -3.609 -2.798 9.256 1.00 1.04 H new ATOM 0 HB3 ASN B 63 -4.154 -1.751 7.961 1.00 1.04 H new ATOM 0 HD21 ASN B 63 -0.743 -1.200 6.659 1.00 1.34 H new ATOM 0 HD22 ASN B 63 -2.221 -0.295 7.003 1.00 1.34 H new ATOM 2231 N GLY B 64 -1.853 1.078 10.373 1.00 0.69 N ATOM 2232 CA GLY B 64 -0.577 1.644 10.822 1.00 0.62 C ATOM 2233 C GLY B 64 0.324 2.067 9.663 1.00 0.57 C ATOM 2234 O GLY B 64 1.524 2.268 9.849 1.00 0.61 O ATOM 0 H GLY B 64 -2.608 1.759 10.288 1.00 0.69 H new ATOM 0 HA2 GLY B 64 -0.772 2.507 11.459 1.00 0.62 H new ATOM 0 HA3 GLY B 64 -0.054 0.909 11.433 1.00 0.62 H new ATOM 2238 N ARG B 65 -0.247 2.213 8.475 1.00 0.59 N ATOM 2239 CA ARG B 65 0.521 2.626 7.307 1.00 0.59 C ATOM 2240 C ARG B 65 -0.096 3.881 6.694 1.00 0.51 C ATOM 2241 O ARG B 65 -1.304 3.933 6.461 1.00 0.54 O ATOM 2242 CB ARG B 65 0.552 1.499 6.281 1.00 0.73 C ATOM 2243 CG ARG B 65 1.842 0.690 6.396 1.00 0.95 C ATOM 2244 CD ARG B 65 1.776 -0.595 5.566 1.00 1.38 C ATOM 2245 NE ARG B 65 1.273 -0.307 4.223 1.00 2.14 N ATOM 2246 CZ ARG B 65 1.631 -1.027 3.166 1.00 2.89 C ATOM 2247 NH1 ARG B 65 2.290 -2.167 3.320 1.00 3.52 N ATOM 2248 NH2 ARG B 65 1.323 -0.605 1.947 1.00 3.38 N ATOM 0 H ARG B 65 -1.238 2.052 8.294 1.00 0.59 H new ATOM 0 HA ARG B 65 1.543 2.851 7.613 1.00 0.59 H new ATOM 0 HB2 ARG B 65 -0.307 0.844 6.429 1.00 0.73 H new ATOM 0 HB3 ARG B 65 0.467 1.914 5.277 1.00 0.73 H new ATOM 0 HG2 ARG B 65 2.684 1.297 6.062 1.00 0.95 H new ATOM 0 HG3 ARG B 65 2.024 0.440 7.441 1.00 0.95 H new ATOM 0 HD2 ARG B 65 2.766 -1.046 5.502 1.00 1.38 H new ATOM 0 HD3 ARG B 65 1.127 -1.320 6.057 1.00 1.38 H new ATOM 0 HE ARG B 65 0.627 0.472 4.094 1.00 2.14 H new ATOM 0 HH11 ARG B 65 2.526 -2.497 4.256 1.00 3.52 H new ATOM 0 HH12 ARG B 65 2.561 -2.714 2.503 1.00 3.52 H new ATOM 0 HH21 ARG B 65 0.813 0.270 1.824 1.00 3.38 H new ATOM 0 HH22 ARG B 65 1.596 -1.155 1.133 1.00 3.38 H new ATOM 2262 N PRO B 66 0.723 4.915 6.426 1.00 0.45 N ATOM 2263 CA PRO B 66 0.238 6.176 5.843 1.00 0.42 C ATOM 2264 C PRO B 66 -0.142 6.014 4.371 1.00 0.46 C ATOM 2265 O PRO B 66 0.694 5.639 3.549 1.00 0.54 O ATOM 2266 CB PRO B 66 1.418 7.128 5.994 1.00 0.43 C ATOM 2267 CG PRO B 66 2.624 6.256 6.065 1.00 0.45 C ATOM 2268 CD PRO B 66 2.178 4.944 6.662 1.00 0.47 C ATOM 0 HA PRO B 66 -0.666 6.533 6.337 1.00 0.42 H new ATOM 0 HB2 PRO B 66 1.479 7.815 5.150 1.00 0.43 H new ATOM 0 HB3 PRO B 66 1.319 7.736 6.893 1.00 0.43 H new ATOM 0 HG2 PRO B 66 3.051 6.105 5.073 1.00 0.45 H new ATOM 0 HG3 PRO B 66 3.399 6.716 6.678 1.00 0.45 H new ATOM 0 HD2 PRO B 66 2.676 4.100 6.185 1.00 0.47 H new ATOM 0 HD3 PRO B 66 2.410 4.891 7.726 1.00 0.47 H new ATOM 2276 N GLU B 67 -1.401 6.297 4.036 1.00 0.51 N ATOM 2277 CA GLU B 67 -1.864 6.177 2.654 1.00 0.58 C ATOM 2278 C GLU B 67 -2.683 7.396 2.249 1.00 0.54 C ATOM 2279 O GLU B 67 -3.126 8.173 3.095 1.00 0.55 O ATOM 2280 CB GLU B 67 -2.694 4.912 2.473 1.00 0.72 C ATOM 2281 CG GLU B 67 -1.951 3.655 2.933 1.00 1.13 C ATOM 2282 CD GLU B 67 -2.503 2.431 2.213 1.00 1.45 C ATOM 2283 OE1 GLU B 67 -3.576 2.544 1.585 1.00 1.88 O ATOM 2284 OE2 GLU B 67 -1.860 1.362 2.278 1.00 1.80 O ATOM 0 H GLU B 67 -2.113 6.608 4.697 1.00 0.51 H new ATOM 0 HA GLU B 67 -0.986 6.117 2.011 1.00 0.58 H new ATOM 0 HB2 GLU B 67 -3.623 5.007 3.035 1.00 0.72 H new ATOM 0 HB3 GLU B 67 -2.966 4.806 1.423 1.00 0.72 H new ATOM 0 HG2 GLU B 67 -0.885 3.757 2.729 1.00 1.13 H new ATOM 0 HG3 GLU B 67 -2.059 3.533 4.011 1.00 1.13 H new ATOM 2291 N LEU B 68 -2.867 7.562 0.942 1.00 0.57 N ATOM 2292 CA LEU B 68 -3.615 8.694 0.407 1.00 0.56 C ATOM 2293 C LEU B 68 -5.102 8.381 0.306 1.00 0.58 C ATOM 2294 O LEU B 68 -5.496 7.296 -0.121 1.00 0.70 O ATOM 2295 CB LEU B 68 -3.086 9.058 -0.979 1.00 0.59 C ATOM 2296 CG LEU B 68 -1.659 9.580 -0.918 1.00 0.55 C ATOM 2297 CD1 LEU B 68 -1.112 9.806 -2.325 1.00 0.56 C ATOM 2298 CD2 LEU B 68 -1.592 10.875 -0.115 1.00 0.54 C ATOM 0 H LEU B 68 -2.507 6.924 0.232 1.00 0.57 H new ATOM 0 HA LEU B 68 -3.483 9.532 1.091 1.00 0.56 H new ATOM 0 HB2 LEU B 68 -3.125 8.181 -1.625 1.00 0.59 H new ATOM 0 HB3 LEU B 68 -3.731 9.814 -1.428 1.00 0.59 H new ATOM 0 HG LEU B 68 -1.045 8.831 -0.419 1.00 0.55 H new ATOM 0 HD11 LEU B 68 -0.090 10.180 -2.262 1.00 0.56 H new ATOM 0 HD12 LEU B 68 -1.121 8.865 -2.875 1.00 0.56 H new ATOM 0 HD13 LEU B 68 -1.734 10.535 -2.844 1.00 0.56 H new ATOM 0 HD21 LEU B 68 -0.562 11.231 -0.084 1.00 0.54 H new ATOM 0 HD22 LEU B 68 -2.222 11.629 -0.587 1.00 0.54 H new ATOM 0 HD23 LEU B 68 -1.943 10.692 0.900 1.00 0.54 H new ATOM 2310 N ALA B 69 -5.921 9.362 0.674 1.00 0.54 N ATOM 2311 CA ALA B 69 -7.372 9.235 0.602 1.00 0.56 C ATOM 2312 C ALA B 69 -7.913 10.349 -0.282 1.00 0.52 C ATOM 2313 O ALA B 69 -7.910 11.518 0.105 1.00 0.57 O ATOM 2314 CB ALA B 69 -7.991 9.320 1.994 1.00 0.64 C ATOM 0 H ALA B 69 -5.599 10.263 1.029 1.00 0.54 H new ATOM 0 HA ALA B 69 -7.631 8.264 0.180 1.00 0.56 H new ATOM 0 HB1 ALA B 69 -9.074 9.223 1.917 1.00 0.64 H new ATOM 0 HB2 ALA B 69 -7.598 8.516 2.617 1.00 0.64 H new ATOM 0 HB3 ALA B 69 -7.744 10.282 2.444 1.00 0.64 H new ATOM 2320 N PHE B 70 -8.348 9.984 -1.480 1.00 0.47 N ATOM 2321 CA PHE B 70 -8.862 10.957 -2.439 1.00 0.45 C ATOM 2322 C PHE B 70 -10.357 11.177 -2.255 1.00 0.47 C ATOM 2323 O PHE B 70 -11.142 10.229 -2.224 1.00 0.51 O ATOM 2324 CB PHE B 70 -8.565 10.486 -3.859 1.00 0.41 C ATOM 2325 CG PHE B 70 -7.084 10.341 -4.119 1.00 0.38 C ATOM 2326 CD1 PHE B 70 -6.338 11.442 -4.510 1.00 0.38 C ATOM 2327 CD2 PHE B 70 -6.464 9.112 -3.951 1.00 0.38 C ATOM 2328 CE1 PHE B 70 -4.975 11.313 -4.731 1.00 0.37 C ATOM 2329 CE2 PHE B 70 -5.103 8.985 -4.176 1.00 0.37 C ATOM 2330 CZ PHE B 70 -4.360 10.086 -4.564 1.00 0.37 C ATOM 0 H PHE B 70 -8.356 9.020 -1.813 1.00 0.47 H new ATOM 0 HA PHE B 70 -8.363 11.910 -2.263 1.00 0.45 H new ATOM 0 HB2 PHE B 70 -9.057 9.529 -4.032 1.00 0.41 H new ATOM 0 HB3 PHE B 70 -8.988 11.195 -4.570 1.00 0.41 H new ATOM 0 HD1 PHE B 70 -6.818 12.400 -4.643 1.00 0.38 H new ATOM 0 HD2 PHE B 70 -7.043 8.253 -3.644 1.00 0.38 H new ATOM 0 HE1 PHE B 70 -4.394 12.171 -5.034 1.00 0.37 H new ATOM 0 HE2 PHE B 70 -4.622 8.027 -4.049 1.00 0.37 H new ATOM 0 HZ PHE B 70 -3.299 9.987 -4.737 1.00 0.37 H new ATOM 2340 N ASP B 71 -10.737 12.445 -2.134 1.00 0.51 N ATOM 2341 CA ASP B 71 -12.132 12.827 -1.952 1.00 0.54 C ATOM 2342 C ASP B 71 -12.768 13.152 -3.301 1.00 0.51 C ATOM 2343 O ASP B 71 -12.751 14.299 -3.746 1.00 0.55 O ATOM 2344 CB ASP B 71 -12.206 14.037 -1.019 1.00 0.62 C ATOM 2345 CG ASP B 71 -13.649 14.488 -0.825 1.00 0.69 C ATOM 2346 OD1 ASP B 71 -14.353 14.692 -1.835 1.00 0.69 O ATOM 2347 OD2 ASP B 71 -14.071 14.644 0.340 1.00 0.90 O ATOM 0 H ASP B 71 -10.090 13.233 -2.159 1.00 0.51 H new ATOM 0 HA ASP B 71 -12.682 11.998 -1.506 1.00 0.54 H new ATOM 0 HB2 ASP B 71 -11.767 13.784 -0.054 1.00 0.62 H new ATOM 0 HB3 ASP B 71 -11.617 14.856 -1.432 1.00 0.62 H new ATOM 2352 N PHE B 72 -13.321 12.130 -3.947 1.00 0.49 N ATOM 2353 CA PHE B 72 -13.961 12.291 -5.252 1.00 0.48 C ATOM 2354 C PHE B 72 -15.261 13.083 -5.143 1.00 0.52 C ATOM 2355 O PHE B 72 -15.842 13.468 -6.157 1.00 0.59 O ATOM 2356 CB PHE B 72 -14.235 10.921 -5.858 1.00 0.48 C ATOM 2357 CG PHE B 72 -12.966 10.180 -6.202 1.00 0.50 C ATOM 2358 CD1 PHE B 72 -11.984 10.809 -6.948 1.00 0.50 C ATOM 2359 CD2 PHE B 72 -12.772 8.877 -5.766 1.00 0.59 C ATOM 2360 CE1 PHE B 72 -10.813 10.142 -7.259 1.00 0.57 C ATOM 2361 CE2 PHE B 72 -11.598 8.210 -6.078 1.00 0.66 C ATOM 2362 CZ PHE B 72 -10.618 8.843 -6.824 1.00 0.64 C ATOM 0 H PHE B 72 -13.340 11.176 -3.587 1.00 0.49 H new ATOM 0 HA PHE B 72 -13.284 12.851 -5.897 1.00 0.48 H new ATOM 0 HB2 PHE B 72 -14.821 10.327 -5.156 1.00 0.48 H new ATOM 0 HB3 PHE B 72 -14.839 11.039 -6.758 1.00 0.48 H new ATOM 0 HD1 PHE B 72 -12.133 11.823 -7.288 1.00 0.50 H new ATOM 0 HD2 PHE B 72 -13.536 8.383 -5.184 1.00 0.59 H new ATOM 0 HE1 PHE B 72 -10.050 10.636 -7.842 1.00 0.57 H new ATOM 0 HE2 PHE B 72 -11.447 7.196 -5.739 1.00 0.66 H new ATOM 0 HZ PHE B 72 -9.703 8.323 -7.066 1.00 0.64 H new ATOM 2372 N LYS B 73 -15.723 13.321 -3.918 1.00 0.56 N ATOM 2373 CA LYS B 73 -16.955 14.061 -3.700 1.00 0.61 C ATOM 2374 C LYS B 73 -16.721 15.565 -3.819 1.00 0.66 C ATOM 2375 O LYS B 73 -17.666 16.331 -4.007 1.00 0.73 O ATOM 2376 CB LYS B 73 -17.488 13.755 -2.307 1.00 0.66 C ATOM 2377 CG LYS B 73 -18.118 12.367 -2.216 1.00 0.70 C ATOM 2378 CD LYS B 73 -17.232 11.283 -2.820 1.00 1.44 C ATOM 2379 CE LYS B 73 -17.571 9.911 -2.242 1.00 2.02 C ATOM 2380 NZ LYS B 73 -18.928 9.464 -2.663 1.00 2.50 N ATOM 0 H LYS B 73 -15.260 13.011 -3.064 1.00 0.56 H new ATOM 0 HA LYS B 73 -17.675 13.757 -4.460 1.00 0.61 H new ATOM 0 HB2 LYS B 73 -16.675 13.830 -1.585 1.00 0.66 H new ATOM 0 HB3 LYS B 73 -18.229 14.506 -2.031 1.00 0.66 H new ATOM 0 HG2 LYS B 73 -18.316 12.129 -1.171 1.00 0.70 H new ATOM 0 HG3 LYS B 73 -19.080 12.374 -2.729 1.00 0.70 H new ATOM 0 HD2 LYS B 73 -17.359 11.267 -3.902 1.00 1.44 H new ATOM 0 HD3 LYS B 73 -16.185 11.514 -2.625 1.00 1.44 H new ATOM 0 HE2 LYS B 73 -16.829 9.183 -2.569 1.00 2.02 H new ATOM 0 HE3 LYS B 73 -17.521 9.950 -1.154 1.00 2.02 H new ATOM 0 HZ1 LYS B 73 -19.121 8.522 -2.268 1.00 2.50 H new ATOM 0 HZ2 LYS B 73 -19.639 10.138 -2.315 1.00 2.50 H new ATOM 0 HZ3 LYS B 73 -18.972 9.420 -3.701 1.00 2.50 H new ATOM 2394 N ALA B 74 -15.467 15.990 -3.677 1.00 0.64 N ATOM 2395 CA ALA B 74 -15.135 17.411 -3.736 1.00 0.70 C ATOM 2396 C ALA B 74 -14.138 17.716 -4.845 1.00 0.67 C ATOM 2397 O ALA B 74 -13.548 18.796 -4.868 1.00 0.72 O ATOM 2398 CB ALA B 74 -14.557 17.855 -2.395 1.00 0.75 C ATOM 0 H ALA B 74 -14.669 15.374 -3.521 1.00 0.64 H new ATOM 0 HA ALA B 74 -16.052 17.959 -3.953 1.00 0.70 H new ATOM 0 HB1 ALA B 74 -14.309 18.916 -2.439 1.00 0.75 H new ATOM 0 HB2 ALA B 74 -15.292 17.686 -1.608 1.00 0.75 H new ATOM 0 HB3 ALA B 74 -13.656 17.281 -2.179 1.00 0.75 H new ATOM 2404 N MET B 75 -13.946 16.785 -5.772 1.00 0.62 N ATOM 2405 CA MET B 75 -13.013 17.022 -6.865 1.00 0.60 C ATOM 2406 C MET B 75 -13.610 18.012 -7.845 1.00 0.66 C ATOM 2407 O MET B 75 -14.820 18.032 -8.072 1.00 0.71 O ATOM 2408 CB MET B 75 -12.635 15.729 -7.575 1.00 0.53 C ATOM 2409 CG MET B 75 -13.835 15.029 -8.194 1.00 0.51 C ATOM 2410 SD MET B 75 -13.337 13.830 -9.444 1.00 0.49 S ATOM 2411 CE MET B 75 -14.864 12.905 -9.649 1.00 0.48 C ATOM 0 H MET B 75 -14.413 15.878 -5.790 1.00 0.62 H new ATOM 0 HA MET B 75 -12.098 17.439 -6.443 1.00 0.60 H new ATOM 0 HB2 MET B 75 -11.904 15.947 -8.354 1.00 0.53 H new ATOM 0 HB3 MET B 75 -12.153 15.057 -6.865 1.00 0.53 H new ATOM 0 HG2 MET B 75 -14.405 14.525 -7.413 1.00 0.51 H new ATOM 0 HG3 MET B 75 -14.496 15.770 -8.644 1.00 0.51 H new ATOM 0 HE1 MET B 75 -14.901 12.482 -10.653 1.00 0.48 H new ATOM 0 HE2 MET B 75 -14.903 12.100 -8.915 1.00 0.48 H new ATOM 0 HE3 MET B 75 -15.715 13.571 -9.504 1.00 0.48 H new ATOM 2421 N LYS B 76 -12.753 18.848 -8.405 1.00 0.71 N ATOM 2422 CA LYS B 76 -13.184 19.870 -9.348 1.00 0.79 C ATOM 2423 C LYS B 76 -12.664 19.560 -10.748 1.00 0.76 C ATOM 2424 O LYS B 76 -11.466 19.352 -10.941 1.00 0.74 O ATOM 2425 CB LYS B 76 -12.661 21.232 -8.889 1.00 0.87 C ATOM 2426 CG LYS B 76 -13.696 22.000 -8.070 1.00 1.05 C ATOM 2427 CD LYS B 76 -13.103 23.294 -7.512 1.00 1.20 C ATOM 2428 CE LYS B 76 -14.180 24.175 -6.886 1.00 1.93 C ATOM 2429 NZ LYS B 76 -14.650 23.617 -5.596 1.00 2.78 N ATOM 0 H LYS B 76 -11.749 18.840 -8.223 1.00 0.71 H new ATOM 0 HA LYS B 76 -14.273 19.886 -9.381 1.00 0.79 H new ATOM 0 HB2 LYS B 76 -11.760 21.091 -8.292 1.00 0.87 H new ATOM 0 HB3 LYS B 76 -12.378 21.823 -9.760 1.00 0.87 H new ATOM 0 HG2 LYS B 76 -14.560 22.231 -8.693 1.00 1.05 H new ATOM 0 HG3 LYS B 76 -14.052 21.376 -7.250 1.00 1.05 H new ATOM 0 HD2 LYS B 76 -12.345 23.056 -6.765 1.00 1.20 H new ATOM 0 HD3 LYS B 76 -12.602 23.841 -8.311 1.00 1.20 H new ATOM 0 HE2 LYS B 76 -13.785 25.179 -6.728 1.00 1.93 H new ATOM 0 HE3 LYS B 76 -15.021 24.268 -7.573 1.00 1.93 H new ATOM 0 HZ1 LYS B 76 -15.382 24.238 -5.195 1.00 2.78 H new ATOM 0 HZ2 LYS B 76 -15.048 22.669 -5.752 1.00 2.78 H new ATOM 0 HZ3 LYS B 76 -13.851 23.552 -4.934 1.00 2.78 H new ATOM 2443 N ARG B 77 -13.568 19.541 -11.727 1.00 0.78 N ATOM 2444 CA ARG B 77 -13.188 19.269 -13.105 1.00 0.77 C ATOM 2445 C ARG B 77 -12.224 20.347 -13.582 1.00 0.82 C ATOM 2446 O ARG B 77 -12.498 21.541 -13.450 1.00 0.89 O ATOM 2447 CB ARG B 77 -14.432 19.235 -13.997 1.00 0.82 C ATOM 2448 CG ARG B 77 -14.600 17.874 -14.693 1.00 0.80 C ATOM 2449 CD ARG B 77 -15.230 17.996 -16.086 1.00 0.96 C ATOM 2450 NE ARG B 77 -14.448 17.234 -17.059 1.00 1.99 N ATOM 2451 CZ ARG B 77 -14.582 17.427 -18.367 1.00 2.57 C ATOM 2452 NH1 ARG B 77 -15.645 16.951 -19.001 1.00 2.68 N ATOM 2453 NH2 ARG B 77 -13.655 18.097 -19.044 1.00 3.41 N ATOM 0 H ARG B 77 -14.564 19.711 -11.588 1.00 0.78 H new ATOM 0 HA ARG B 77 -12.697 18.297 -13.162 1.00 0.77 H new ATOM 0 HB2 ARG B 77 -15.316 19.447 -13.396 1.00 0.82 H new ATOM 0 HB3 ARG B 77 -14.362 20.021 -14.749 1.00 0.82 H new ATOM 0 HG2 ARG B 77 -13.626 17.392 -14.780 1.00 0.80 H new ATOM 0 HG3 ARG B 77 -15.221 17.228 -14.073 1.00 0.80 H new ATOM 0 HD2 ARG B 77 -16.256 17.628 -16.063 1.00 0.96 H new ATOM 0 HD3 ARG B 77 -15.274 19.044 -16.383 1.00 0.96 H new ATOM 0 HE ARG B 77 -13.783 16.537 -16.725 1.00 1.99 H new ATOM 0 HH11 ARG B 77 -16.359 16.437 -18.485 1.00 2.68 H new ATOM 0 HH12 ARG B 77 -15.749 17.099 -20.005 1.00 2.68 H new ATOM 0 HH21 ARG B 77 -12.836 18.466 -18.560 1.00 3.41 H new ATOM 0 HH22 ARG B 77 -13.762 18.243 -20.048 1.00 3.41 H new ATOM 2467 N ALA B 78 -11.092 19.921 -14.130 1.00 0.80 N ATOM 2468 CA ALA B 78 -10.080 20.854 -14.621 1.00 0.86 C ATOM 2469 C ALA B 78 -10.250 21.067 -16.118 1.00 0.95 C ATOM 2470 O ALA B 78 -10.443 20.068 -16.842 1.00 1.49 O ATOM 2471 CB ALA B 78 -8.672 20.330 -14.323 1.00 0.82 C ATOM 2472 OXT ALA B 78 -10.192 22.232 -16.564 1.00 1.46 O ATOM 0 H ALA B 78 -10.850 18.937 -14.246 1.00 0.80 H new ATOM 0 HA ALA B 78 -10.210 21.807 -14.107 1.00 0.86 H new ATOM 0 HB1 ALA B 78 -7.933 21.039 -14.697 1.00 0.82 H new ATOM 0 HB2 ALA B 78 -8.548 20.211 -13.247 1.00 0.82 H new ATOM 0 HB3 ALA B 78 -8.531 19.367 -14.813 1.00 0.82 H new TER 2478 ALA B 78 END