USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 726 hydrogens (0 hets) HEADER CELLULOSE DEGRADATION 14-MAR-95 1EXG TITLE SOLUTION STRUCTURE OF A CELLULOSE BINDING DOMAIN FROM TITLE 2 CELLULOMONAS FIMI BY NUCLEAR MAGNETIC RESONANCE TITLE 3 SPECTROSCOPY COMPND MOL_ID: 1; COMPND 2 MOLECULE: EXO-1,4-BETA-D-GLYCANASE; COMPND 3 CHAIN: A; COMPND 4 EC: 3.2.1.91; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: CELLULOMONAS FIMI; SOURCE 3 ORGANISM_TAXID: 1708 KEYWDS CELLULOSE BINDING DOMAIN, CELLULOSE DEGRADATION EXPDTA SOLUTION NMR AUTHOR G.-Y.XU,E.ONG,N.R.GILKES,D.G.KILBURN,D.R.MUHANDIRAM, AUTHOR 2 M.HARRIS-BRANDTS,J.P.CARVER,L.E.KAY,T.S.HARVEY REVDAT 3 25-AUG-09 1EXG 1 SOURCE REVDAT 2 24-FEB-09 1EXG 1 VERSN REVDAT 1 03-JUN-95 1EXG 0 JRNL AUTH G.Y.XU,E.ONG,N.R.GILKES,D.G.KILBURN,D.R.MUHANDIRAM, JRNL AUTH 2 M.HARRIS-BRANDTS,J.P.CARVER,L.E.KAY,T.S.HARVEY JRNL TITL SOLUTION STRUCTURE OF A CELLULOSE-BINDING DOMAIN JRNL TITL 2 FROM CELLULOMONAS FIMI BY NUCLEAR MAGNETIC JRNL TITL 3 RESONANCE SPECTROSCOPY. JRNL REF BIOCHEMISTRY V. 34 6993 1995 JRNL REFN ISSN 0006-2960 JRNL PMID 7766609 JRNL DOI 10.1021/BI00021A011 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1EXG COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : NULL REMARK 210 PH : NULL REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : NULL REMARK 210 SPECTROMETER MODEL : NULL REMARK 210 SPECTROMETER MANUFACTURER : NULL REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : NULL REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 TRP A 12 CG TRP A 12 CD2 -0.113 REMARK 500 TRP A 17 CG TRP A 17 CD2 -0.123 REMARK 500 TRP A 38 CG TRP A 38 CD2 -0.111 REMARK 500 TRP A 54 CG TRP A 54 CD2 -0.123 REMARK 500 TRP A 72 CG TRP A 72 CD2 -0.115 REMARK 500 HIS A 90 CG HIS A 90 ND1 -0.121 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 TRP A 12 CG - CD1 - NE1 ANGL. DEV. = -6.3 DEGREES REMARK 500 TRP A 12 NE1 - CE2 - CZ2 ANGL. DEV. = 9.2 DEGREES REMARK 500 TRP A 12 NE1 - CE2 - CD2 ANGL. DEV. = -7.2 DEGREES REMARK 500 TRP A 17 CG - CD1 - NE1 ANGL. DEV. = -6.5 DEGREES REMARK 500 TRP A 17 NE1 - CE2 - CZ2 ANGL. DEV. = 9.7 DEGREES REMARK 500 TRP A 17 NE1 - CE2 - CD2 ANGL. DEV. = -7.5 DEGREES REMARK 500 TRP A 38 CD1 - CG - CD2 ANGL. DEV. = 4.9 DEGREES REMARK 500 TRP A 38 CG - CD1 - NE1 ANGL. DEV. = -6.2 DEGREES REMARK 500 TRP A 38 NE1 - CE2 - CZ2 ANGL. DEV. = 9.9 DEGREES REMARK 500 TRP A 38 NE1 - CE2 - CD2 ANGL. DEV. = -7.4 DEGREES REMARK 500 TRP A 54 CD1 - CG - CD2 ANGL. DEV. = 4.9 DEGREES REMARK 500 TRP A 54 CG - CD1 - NE1 ANGL. DEV. = -6.5 DEGREES REMARK 500 TRP A 54 NE1 - CE2 - CZ2 ANGL. DEV. = 9.8 DEGREES REMARK 500 TRP A 54 NE1 - CE2 - CD2 ANGL. DEV. = -7.5 DEGREES REMARK 500 TRP A 72 CD1 - CG - CD2 ANGL. DEV. = 4.8 DEGREES REMARK 500 TRP A 72 CG - CD1 - NE1 ANGL. DEV. = -6.3 DEGREES REMARK 500 TRP A 72 NE1 - CE2 - CZ2 ANGL. DEV. = 9.2 DEGREES REMARK 500 TRP A 72 NE1 - CE2 - CD2 ANGL. DEV. = -7.2 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 SER A 2 56.60 -90.55 REMARK 500 SER A 3 -92.87 -161.93 REMARK 500 PRO A 5 -155.64 -62.72 REMARK 500 CYS A 8 -168.25 -58.18 REMARK 500 ASN A 15 85.92 -159.15 REMARK 500 TRP A 17 -83.24 -115.99 REMARK 500 THR A 19 -35.29 -177.32 REMARK 500 SER A 31 -82.58 -59.34 REMARK 500 SER A 32 42.71 162.61 REMARK 500 ASP A 36 58.82 -107.61 REMARK 500 PHE A 42 -143.12 -174.22 REMARK 500 SER A 46 -156.32 -69.75 REMARK 500 THR A 51 -64.42 -133.43 REMARK 500 ALA A 53 149.03 -172.06 REMARK 500 SER A 56 123.33 -171.84 REMARK 500 ALA A 70 165.34 -45.33 REMARK 500 SER A 75 59.39 -104.31 REMARK 500 ALA A 78 -19.97 -37.15 REMARK 500 HIS A 90 -158.38 -146.08 REMARK 500 THR A 93 -145.24 -160.86 REMARK 500 ALA A 95 -105.50 -110.47 REMARK 500 ALA A 96 107.79 -40.27 REMARK 500 PRO A 97 -94.95 -62.60 REMARK 500 THR A 98 -102.07 -151.10 REMARK 500 PHE A 100 -152.40 -67.55 REMARK 500 LEU A 102 177.59 -55.93 REMARK 500 ASN A 103 76.84 -63.99 REMARK 500 VAL A 109 165.35 -48.59 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 68 0.22 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1EXH RELATED DB: PDB DBREF 1EXG A 1 110 UNP P07986 GUX_CELFI 1 110 SEQRES 1 A 110 ALA SER SER GLY PRO ALA GLY CYS GLN VAL LEU TRP GLY SEQRES 2 A 110 VAL ASN GLN TRP ASN THR GLY PHE THR ALA ASN VAL THR SEQRES 3 A 110 VAL LYS ASN THR SER SER ALA PRO VAL ASP GLY TRP THR SEQRES 4 A 110 LEU THR PHE SER PHE PRO SER GLY GLN GLN VAL THR GLN SEQRES 5 A 110 ALA TRP SER SER THR VAL THR GLN SER GLY SER ALA VAL SEQRES 6 A 110 THR VAL ARG ASN ALA PRO TRP ASN GLY SER ILE PRO ALA SEQRES 7 A 110 GLY GLY THR ALA GLN PHE GLY PHE ASN GLY SER HIS THR SEQRES 8 A 110 GLY THR ASN ALA ALA PRO THR ALA PHE SER LEU ASN GLY SEQRES 9 A 110 THR PRO CYS THR VAL GLY HELIX 1 1 TRP A 72 GLY A 74 5 3 SHEET 1 A 6 GLN A 49 TRP A 54 0 SHEET 2 A 6 GLY A 80 SER A 89 -1 N SER A 89 O GLN A 49 SHEET 3 A 6 GLY A 20 ASN A 29 -1 N ASN A 29 O GLY A 80 SHEET 4 A 6 GLY A 7 LEU A 11 -1 N LEU A 11 O THR A 26 SHEET 5 A 6 THR A 105 VAL A 109 1 N PRO A 106 O CYS A 8 SHEET 6 A 6 PHE A 100 LEU A 102 -1 N LEU A 102 O THR A 105 SHEET 1 B 2 VAL A 14 GLN A 16 0 SHEET 2 B 2 PHE A 21 ALA A 23 -1 N THR A 22 O ASN A 15 SHEET 1 C 3 TRP A 38 SER A 43 0 SHEET 2 C 3 ALA A 64 ASN A 69 -1 N ASN A 69 O TRP A 38 SHEET 3 C 3 THR A 57 SER A 61 -1 N SER A 61 O ALA A 64 SSBOND *** CYS A 8 CYS A 107 1555 1555 2.03 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 22 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 87 ASN : amide:sc= -1.08 K(o=-1.1,f=-4.5!) USER MOD Set 2.1: A 49 GLN : amide:sc= -8.37! K(o=-8.3!,f=-2.9) USER MOD Set 2.2: A 89 SER OG : rot -129:sc= 0.115 USER MOD Set 3.1: A 46 SER OG : rot 60:sc= -0.239 USER MOD Set 3.2: A 93 THR OG1 : rot -33:sc= 0.268 USER MOD Set 4.1: A 41 THR OG1 : rot 14:sc= 1.82 USER MOD Set 4.2: A 66 THR OG1 : rot -100:sc= 1.06 USER MOD Set 5.1: A 29 ASN : amide:sc= -7.08! C(o=-7.1!,f=-2.6!) USER MOD Set 5.2: A 31 SER OG : rot 180:sc=-0.00968! USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 8:sc= 1.07 USER MOD Single : A 9 GLN : amide:sc= -0.167 K(o=-0.17,f=-1) USER MOD Single : A 15 ASN : amide:sc= -0.0778 K(o=-0.078,f=-0.78) USER MOD Single : A 16 GLN : amide:sc= -11.8! C(o=-12!,f=-4!) USER MOD Single : A 18 ASN : amide:sc= -1.11 K(o=-1.1,f=-0.067) USER MOD Single : A 19 THR OG1 : rot -98:sc= 0.138 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 THR OG1 : rot -168:sc= -0.122 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot -63:sc= 0.86! USER MOD Single : A 32 SER OG : rot 180:sc= -1.48! USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.0951 USER MOD Single : A 43 SER OG : rot 7:sc= -5.35! USER MOD Single : A 48 GLN : amide:sc= -9.07! C(o=-9.1!,f=-9.7!) USER MOD Single : A 51 THR OG1 : rot -77:sc= 0.607! USER MOD Single : A 52 GLN : amide:sc= -1.17 K(o=-1.2,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= -0.118 USER MOD Single : A 56 SER OG : rot 157:sc= -1.32! USER MOD Single : A 57 THR OG1 : rot 120:sc= 1.16 USER MOD Single : A 59 THR OG1 : rot 23:sc= -0.384 USER MOD Single : A 60 GLN : amide:sc= -1.47! X(o=-1.5!,f=-1.1) USER MOD Single : A 61 SER OG : rot -179:sc= -1.29 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -22.6! C(o=-23!,f=-33!) USER MOD Single : A 73 ASN : amide:sc= -25.9! C(o=-26!,f=-15!) USER MOD Single : A 75 SER OG : rot 90:sc= 1.07 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 HIS : no HD1:sc= -6.72! C(o=-6.7!,f=-14!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -4.96! C(o=-5!,f=-3.5!) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.0467 USER MOD Single : A 101 SER OG : rot -21:sc= 0.0151! USER MOD Single : A 103 ASN : amide:sc= -7.25! C(o=-7.2!,f=-1.4!) USER MOD Single : A 105 THR OG1 : rot -136:sc= -2.38! USER MOD Single : A 108 THR OG1 : rot -101:sc= 0.132 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -12.581 15.417 0.408 1.00 0.00 N ATOM 2 CA ALA A 1 -13.606 14.691 -0.379 1.00 0.00 C ATOM 3 C ALA A 1 -15.000 15.124 0.052 1.00 0.00 C ATOM 4 O ALA A 1 -15.469 14.754 1.110 1.00 0.00 O ATOM 5 CB ALA A 1 -13.471 13.178 -0.144 1.00 0.00 C ATOM 0 H1 ALA A 1 -11.633 15.114 0.106 1.00 0.00 H new ATOM 0 H2 ALA A 1 -12.684 16.440 0.252 1.00 0.00 H new ATOM 0 H3 ALA A 1 -12.706 15.207 1.419 1.00 0.00 H new ATOM 0 HA ALA A 1 -13.457 14.920 -1.434 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -14.227 12.651 -0.725 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -12.479 12.849 -0.455 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -13.610 12.960 0.915 1.00 0.00 H new ATOM 13 N SER A 2 -15.640 15.904 -0.776 1.00 0.00 N ATOM 14 CA SER A 2 -17.004 16.371 -0.430 1.00 0.00 C ATOM 15 C SER A 2 -18.057 15.407 -0.962 1.00 0.00 C ATOM 16 O SER A 2 -18.937 15.794 -1.706 1.00 0.00 O ATOM 17 CB SER A 2 -17.223 17.748 -1.076 1.00 0.00 C ATOM 18 OG SER A 2 -18.279 18.322 -0.321 1.00 0.00 O ATOM 0 H SER A 2 -15.277 16.234 -1.670 1.00 0.00 H new ATOM 0 HA SER A 2 -17.097 16.427 0.655 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.321 18.359 -1.028 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.490 17.656 -2.129 1.00 0.00 H new ATOM 0 HG SER A 2 -18.484 19.214 -0.671 1.00 0.00 H new ATOM 24 N SER A 3 -17.949 14.166 -0.572 1.00 0.00 N ATOM 25 CA SER A 3 -18.936 13.167 -1.047 1.00 0.00 C ATOM 26 C SER A 3 -18.919 11.924 -0.164 1.00 0.00 C ATOM 27 O SER A 3 -19.601 11.864 0.839 1.00 0.00 O ATOM 28 CB SER A 3 -18.563 12.761 -2.481 1.00 0.00 C ATOM 29 OG SER A 3 -19.093 13.805 -3.285 1.00 0.00 O ATOM 0 H SER A 3 -17.225 13.807 0.050 1.00 0.00 H new ATOM 0 HA SER A 3 -19.933 13.607 -1.010 1.00 0.00 H new ATOM 0 HB2 SER A 3 -17.483 12.673 -2.602 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.993 11.795 -2.747 1.00 0.00 H new ATOM 0 HG SER A 3 -19.415 14.530 -2.709 1.00 0.00 H new ATOM 35 N GLY A 4 -18.139 10.953 -0.553 1.00 0.00 N ATOM 36 CA GLY A 4 -18.068 9.705 0.257 1.00 0.00 C ATOM 37 C GLY A 4 -17.333 8.605 -0.516 1.00 0.00 C ATOM 38 O GLY A 4 -17.918 7.618 -0.917 1.00 0.00 O ATOM 0 H GLY A 4 -17.553 10.969 -1.388 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.553 9.903 1.197 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -19.074 9.370 0.509 1.00 0.00 H new ATOM 42 N PRO A 5 -16.054 8.811 -0.703 1.00 0.00 N ATOM 43 CA PRO A 5 -15.217 7.856 -1.421 1.00 0.00 C ATOM 44 C PRO A 5 -15.162 6.515 -0.698 1.00 0.00 C ATOM 45 O PRO A 5 -16.054 6.173 0.053 1.00 0.00 O ATOM 46 CB PRO A 5 -13.810 8.497 -1.439 1.00 0.00 C ATOM 47 CG PRO A 5 -13.913 9.862 -0.688 1.00 0.00 C ATOM 48 CD PRO A 5 -15.369 10.011 -0.212 1.00 0.00 C ATOM 0 HA PRO A 5 -15.606 7.658 -2.420 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -13.084 7.845 -0.953 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -13.469 8.647 -2.463 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -13.227 9.888 0.159 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -13.638 10.685 -1.347 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -15.424 10.080 0.874 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -15.824 10.917 -0.612 1.00 0.00 H new ATOM 56 N ALA A 6 -14.114 5.780 -0.939 1.00 0.74 N ATOM 57 CA ALA A 6 -13.980 4.460 -0.277 1.00 0.60 C ATOM 58 C ALA A 6 -13.315 4.598 1.087 1.00 0.52 C ATOM 59 O ALA A 6 -13.266 5.671 1.656 1.00 0.69 O ATOM 60 CB ALA A 6 -13.097 3.566 -1.163 1.00 0.61 C ATOM 0 H ALA A 6 -13.349 6.037 -1.563 1.00 0.74 H new ATOM 0 HA ALA A 6 -14.972 4.030 -0.140 1.00 0.60 H new ATOM 0 HB1 ALA A 6 -12.984 2.588 -0.695 1.00 0.61 H new ATOM 0 HB2 ALA A 6 -13.564 3.449 -2.141 1.00 0.61 H new ATOM 0 HB3 ALA A 6 -12.116 4.027 -1.282 1.00 0.61 H new ATOM 66 N GLY A 7 -12.818 3.503 1.584 1.00 0.42 N ATOM 67 CA GLY A 7 -12.146 3.526 2.913 1.00 0.35 C ATOM 68 C GLY A 7 -11.578 2.148 3.200 1.00 0.29 C ATOM 69 O GLY A 7 -11.739 1.612 4.279 1.00 0.31 O ATOM 0 H GLY A 7 -12.847 2.591 1.128 1.00 0.42 H new ATOM 0 HA2 GLY A 7 -11.350 4.271 2.920 1.00 0.35 H new ATOM 0 HA3 GLY A 7 -12.856 3.810 3.690 1.00 0.35 H new ATOM 73 N CYS A 8 -10.934 1.599 2.209 1.00 0.29 N ATOM 74 CA CYS A 8 -10.337 0.260 2.368 1.00 0.28 C ATOM 75 C CYS A 8 -9.348 0.240 3.513 1.00 0.32 C ATOM 76 O CYS A 8 -9.279 1.163 4.307 1.00 0.37 O ATOM 77 CB CYS A 8 -9.581 -0.077 1.076 1.00 0.37 C ATOM 78 SG CYS A 8 -8.352 1.128 0.497 1.00 0.69 S ATOM 0 H CYS A 8 -10.799 2.029 1.294 1.00 0.29 H new ATOM 0 HA CYS A 8 -11.128 -0.461 2.574 1.00 0.28 H new ATOM 0 HB2 CYS A 8 -9.076 -1.032 1.219 1.00 0.37 H new ATOM 0 HB3 CYS A 8 -10.315 -0.220 0.282 1.00 0.37 H new ATOM 83 N GLN A 9 -8.599 -0.811 3.588 1.00 0.37 N ATOM 84 CA GLN A 9 -7.616 -0.904 4.668 1.00 0.47 C ATOM 85 C GLN A 9 -6.445 -1.766 4.250 1.00 0.42 C ATOM 86 O GLN A 9 -6.626 -2.801 3.642 1.00 0.63 O ATOM 87 CB GLN A 9 -8.286 -1.528 5.905 1.00 0.54 C ATOM 88 CG GLN A 9 -9.804 -1.553 5.705 1.00 0.85 C ATOM 89 CD GLN A 9 -10.455 -2.292 6.875 1.00 1.14 C ATOM 90 OE1 GLN A 9 -10.025 -3.358 7.268 1.00 1.81 O ATOM 91 NE2 GLN A 9 -11.494 -1.761 7.460 1.00 1.72 N ATOM 0 H GLN A 9 -8.629 -1.604 2.947 1.00 0.37 H new ATOM 0 HA GLN A 9 -7.250 0.097 4.899 1.00 0.47 H new ATOM 0 HB2 GLN A 9 -7.912 -2.540 6.063 1.00 0.54 H new ATOM 0 HB3 GLN A 9 -8.035 -0.953 6.797 1.00 0.54 H new ATOM 0 HG2 GLN A 9 -10.191 -0.536 5.642 1.00 0.85 H new ATOM 0 HG3 GLN A 9 -10.051 -2.047 4.765 1.00 0.85 H new ATOM 0 HE21 GLN A 9 -11.860 -0.866 7.135 1.00 1.72 H new ATOM 0 HE22 GLN A 9 -11.940 -2.241 8.242 1.00 1.72 H new ATOM 100 N VAL A 10 -5.257 -1.321 4.590 1.00 0.27 N ATOM 101 CA VAL A 10 -4.044 -2.106 4.220 1.00 0.26 C ATOM 102 C VAL A 10 -3.194 -2.400 5.429 1.00 0.26 C ATOM 103 O VAL A 10 -2.837 -1.517 6.171 1.00 0.33 O ATOM 104 CB VAL A 10 -3.207 -1.290 3.222 1.00 0.31 C ATOM 105 CG1 VAL A 10 -4.131 -0.682 2.183 1.00 0.33 C ATOM 106 CG2 VAL A 10 -2.471 -0.164 3.953 1.00 0.39 C ATOM 0 H VAL A 10 -5.080 -0.457 5.102 1.00 0.27 H new ATOM 0 HA VAL A 10 -4.367 -3.050 3.781 1.00 0.26 H new ATOM 0 HB VAL A 10 -2.479 -1.945 2.743 1.00 0.31 H new ATOM 0 HG11 VAL A 10 -3.545 -0.101 1.471 1.00 0.33 H new ATOM 0 HG12 VAL A 10 -4.659 -1.477 1.656 1.00 0.33 H new ATOM 0 HG13 VAL A 10 -4.853 -0.031 2.675 1.00 0.33 H new ATOM 0 HG21 VAL A 10 -1.880 0.409 3.238 1.00 0.39 H new ATOM 0 HG22 VAL A 10 -3.196 0.493 4.434 1.00 0.39 H new ATOM 0 HG23 VAL A 10 -1.812 -0.591 4.709 1.00 0.39 H new ATOM 116 N LEU A 11 -2.885 -3.645 5.604 1.00 0.24 N ATOM 117 CA LEU A 11 -2.044 -4.027 6.776 1.00 0.25 C ATOM 118 C LEU A 11 -0.601 -4.181 6.356 1.00 0.24 C ATOM 119 O LEU A 11 -0.307 -4.280 5.178 1.00 0.29 O ATOM 120 CB LEU A 11 -2.531 -5.359 7.347 1.00 0.28 C ATOM 121 CG LEU A 11 -3.030 -6.241 6.214 1.00 0.25 C ATOM 122 CD1 LEU A 11 -2.696 -7.708 6.536 1.00 0.28 C ATOM 123 CD2 LEU A 11 -4.553 -6.070 6.075 1.00 0.24 C ATOM 0 H LEU A 11 -3.171 -4.413 4.997 1.00 0.24 H new ATOM 0 HA LEU A 11 -2.124 -3.244 7.530 1.00 0.25 H new ATOM 0 HB2 LEU A 11 -1.721 -5.857 7.880 1.00 0.28 H new ATOM 0 HB3 LEU A 11 -3.330 -5.188 8.068 1.00 0.28 H new ATOM 0 HG LEU A 11 -2.549 -5.957 5.278 1.00 0.25 H new ATOM 0 HD11 LEU A 11 -3.051 -8.348 5.728 1.00 0.28 H new ATOM 0 HD12 LEU A 11 -1.617 -7.821 6.641 1.00 0.28 H new ATOM 0 HD13 LEU A 11 -3.183 -7.996 7.467 1.00 0.28 H new ATOM 0 HD21 LEU A 11 -4.917 -6.700 5.264 1.00 0.24 H new ATOM 0 HD22 LEU A 11 -5.038 -6.361 7.007 1.00 0.24 H new ATOM 0 HD23 LEU A 11 -4.784 -5.027 5.856 1.00 0.24 H new ATOM 135 N TRP A 12 0.275 -4.211 7.329 1.00 0.28 N ATOM 136 CA TRP A 12 1.721 -4.356 7.021 1.00 0.27 C ATOM 137 C TRP A 12 2.318 -5.598 7.663 1.00 0.26 C ATOM 138 O TRP A 12 1.930 -6.005 8.741 1.00 0.29 O ATOM 139 CB TRP A 12 2.445 -3.140 7.600 1.00 0.29 C ATOM 140 CG TRP A 12 3.706 -2.843 6.780 1.00 0.32 C ATOM 141 CD1 TRP A 12 4.800 -3.590 6.811 1.00 0.43 C ATOM 142 CD2 TRP A 12 3.868 -1.796 5.994 1.00 0.30 C ATOM 143 NE1 TRP A 12 5.654 -2.941 6.002 1.00 0.45 N ATOM 144 CE2 TRP A 12 5.139 -1.788 5.442 1.00 0.37 C ATOM 145 CE3 TRP A 12 2.983 -0.775 5.679 1.00 0.30 C ATOM 146 CZ2 TRP A 12 5.520 -0.773 4.590 1.00 0.39 C ATOM 147 CZ3 TRP A 12 3.371 0.238 4.825 1.00 0.37 C ATOM 148 CH2 TRP A 12 4.637 0.239 4.282 1.00 0.39 C ATOM 0 H TRP A 12 0.047 -4.141 8.321 1.00 0.28 H new ATOM 0 HA TRP A 12 1.836 -4.437 5.940 1.00 0.27 H new ATOM 0 HB2 TRP A 12 1.783 -2.274 7.592 1.00 0.29 H new ATOM 0 HB3 TRP A 12 2.713 -3.327 8.640 1.00 0.29 H new ATOM 0 HD1 TRP A 12 4.966 -4.506 7.358 1.00 0.43 H new ATOM 0 HE1 TRP A 12 6.601 -3.271 5.817 1.00 0.45 H new ATOM 0 HE3 TRP A 12 1.989 -0.773 6.102 1.00 0.30 H new ATOM 0 HZ2 TRP A 12 6.512 -0.771 4.163 1.00 0.39 H new ATOM 0 HZ3 TRP A 12 2.680 1.032 4.582 1.00 0.37 H new ATOM 0 HH2 TRP A 12 4.938 1.033 3.615 1.00 0.39 H new ATOM 159 N GLY A 13 3.254 -6.169 6.973 1.00 0.27 N ATOM 160 CA GLY A 13 3.935 -7.395 7.481 1.00 0.28 C ATOM 161 C GLY A 13 5.442 -7.218 7.292 1.00 0.26 C ATOM 162 O GLY A 13 6.044 -7.839 6.440 1.00 0.32 O ATOM 0 H GLY A 13 3.585 -5.839 6.066 1.00 0.27 H new ATOM 0 HA2 GLY A 13 3.700 -7.552 8.534 1.00 0.28 H new ATOM 0 HA3 GLY A 13 3.585 -8.275 6.942 1.00 0.28 H new ATOM 166 N VAL A 14 6.019 -6.370 8.103 1.00 0.25 N ATOM 167 CA VAL A 14 7.477 -6.128 7.992 1.00 0.28 C ATOM 168 C VAL A 14 8.302 -7.328 8.423 1.00 0.31 C ATOM 169 O VAL A 14 7.896 -8.113 9.257 1.00 0.39 O ATOM 170 CB VAL A 14 7.845 -4.938 8.896 1.00 0.40 C ATOM 171 CG1 VAL A 14 8.342 -5.462 10.248 1.00 0.57 C ATOM 172 CG2 VAL A 14 8.965 -4.127 8.236 1.00 0.49 C ATOM 0 H VAL A 14 5.542 -5.840 8.832 1.00 0.25 H new ATOM 0 HA VAL A 14 7.700 -5.928 6.944 1.00 0.28 H new ATOM 0 HB VAL A 14 6.967 -4.308 9.042 1.00 0.40 H new ATOM 0 HG11 VAL A 14 8.603 -4.621 10.890 1.00 0.57 H new ATOM 0 HG12 VAL A 14 7.556 -6.050 10.722 1.00 0.57 H new ATOM 0 HG13 VAL A 14 9.221 -6.088 10.095 1.00 0.57 H new ATOM 0 HG21 VAL A 14 9.228 -3.283 8.874 1.00 0.49 H new ATOM 0 HG22 VAL A 14 9.840 -4.762 8.095 1.00 0.49 H new ATOM 0 HG23 VAL A 14 8.625 -3.758 7.268 1.00 0.49 H new ATOM 182 N ASN A 15 9.456 -7.438 7.828 1.00 0.31 N ATOM 183 CA ASN A 15 10.363 -8.562 8.156 1.00 0.40 C ATOM 184 C ASN A 15 11.787 -8.192 7.748 1.00 0.44 C ATOM 185 O ASN A 15 12.225 -8.509 6.661 1.00 0.52 O ATOM 186 CB ASN A 15 9.905 -9.808 7.370 1.00 0.48 C ATOM 187 CG ASN A 15 10.398 -11.067 8.089 1.00 0.80 C ATOM 188 OD1 ASN A 15 10.315 -11.178 9.296 1.00 1.51 O ATOM 189 ND2 ASN A 15 10.916 -12.037 7.385 1.00 1.10 N ATOM 0 H ASN A 15 9.809 -6.790 7.124 1.00 0.31 H new ATOM 0 HA ASN A 15 10.338 -8.769 9.226 1.00 0.40 H new ATOM 0 HB2 ASN A 15 8.818 -9.823 7.290 1.00 0.48 H new ATOM 0 HB3 ASN A 15 10.299 -9.777 6.354 1.00 0.48 H new ATOM 0 HD21 ASN A 15 11.248 -12.882 7.849 1.00 1.10 H new ATOM 0 HD22 ASN A 15 10.988 -11.949 6.371 1.00 1.10 H new ATOM 196 N GLN A 16 12.483 -7.515 8.637 1.00 0.50 N ATOM 197 CA GLN A 16 13.882 -7.107 8.323 1.00 0.60 C ATOM 198 C GLN A 16 14.905 -7.890 9.103 1.00 0.61 C ATOM 199 O GLN A 16 14.595 -8.564 10.067 1.00 0.74 O ATOM 200 CB GLN A 16 14.036 -5.598 8.660 1.00 0.91 C ATOM 201 CG GLN A 16 14.805 -5.429 9.977 1.00 0.86 C ATOM 202 CD GLN A 16 14.100 -6.223 11.078 1.00 1.81 C ATOM 203 OE1 GLN A 16 14.678 -6.541 12.098 1.00 2.57 O ATOM 204 NE2 GLN A 16 12.850 -6.562 10.911 1.00 2.08 N ATOM 0 H GLN A 16 12.141 -7.233 9.556 1.00 0.50 H new ATOM 0 HA GLN A 16 14.061 -7.305 7.266 1.00 0.60 H new ATOM 0 HB2 GLN A 16 14.564 -5.089 7.853 1.00 0.91 H new ATOM 0 HB3 GLN A 16 13.053 -5.133 8.741 1.00 0.91 H new ATOM 0 HG2 GLN A 16 15.831 -5.779 9.860 1.00 0.86 H new ATOM 0 HG3 GLN A 16 14.857 -4.375 10.249 1.00 0.86 H new ATOM 0 HE21 GLN A 16 12.360 -6.298 10.057 1.00 2.08 H new ATOM 0 HE22 GLN A 16 12.364 -7.091 11.635 1.00 2.08 H new ATOM 213 N TRP A 17 16.120 -7.786 8.639 1.00 0.67 N ATOM 214 CA TRP A 17 17.245 -8.502 9.305 1.00 0.91 C ATOM 215 C TRP A 17 18.250 -7.504 9.878 1.00 1.02 C ATOM 216 O TRP A 17 18.203 -7.179 11.048 1.00 1.63 O ATOM 217 CB TRP A 17 17.951 -9.390 8.259 1.00 1.08 C ATOM 218 CG TRP A 17 17.812 -8.765 6.866 1.00 0.94 C ATOM 219 CD1 TRP A 17 18.754 -8.050 6.267 1.00 1.00 C ATOM 220 CD2 TRP A 17 16.751 -8.876 6.107 1.00 0.94 C ATOM 221 NE1 TRP A 17 18.201 -7.725 5.083 1.00 1.00 N ATOM 222 CE2 TRP A 17 16.921 -8.216 4.903 1.00 0.98 C ATOM 223 CE3 TRP A 17 15.569 -9.543 6.364 1.00 1.09 C ATOM 224 CZ2 TRP A 17 15.912 -8.221 3.963 1.00 1.15 C ATOM 225 CZ3 TRP A 17 14.560 -9.549 5.421 1.00 1.26 C ATOM 226 CH2 TRP A 17 14.731 -8.887 4.221 1.00 1.29 C ATOM 0 H TRP A 17 16.383 -7.233 7.823 1.00 0.67 H new ATOM 0 HA TRP A 17 16.853 -9.109 10.121 1.00 0.91 H new ATOM 0 HB2 TRP A 17 19.005 -9.500 8.514 1.00 1.08 H new ATOM 0 HB3 TRP A 17 17.516 -10.389 8.264 1.00 1.08 H new ATOM 0 HD1 TRP A 17 19.733 -7.790 6.640 1.00 1.00 H new ATOM 0 HE1 TRP A 17 18.684 -7.165 4.380 1.00 1.00 H new ATOM 0 HE3 TRP A 17 15.434 -10.060 7.303 1.00 1.09 H new ATOM 0 HZ2 TRP A 17 16.046 -7.704 3.025 1.00 1.15 H new ATOM 0 HZ3 TRP A 17 13.637 -10.072 5.622 1.00 1.26 H new ATOM 0 HH2 TRP A 17 13.941 -8.890 3.485 1.00 1.29 H new ATOM 237 N ASN A 18 19.141 -7.034 9.044 1.00 1.40 N ATOM 238 CA ASN A 18 20.153 -6.056 9.528 1.00 1.45 C ATOM 239 C ASN A 18 19.689 -4.635 9.259 1.00 1.30 C ATOM 240 O ASN A 18 20.096 -3.704 9.927 1.00 1.72 O ATOM 241 CB ASN A 18 21.468 -6.299 8.773 1.00 1.65 C ATOM 242 CG ASN A 18 22.377 -7.196 9.617 1.00 2.33 C ATOM 243 OD1 ASN A 18 23.580 -7.211 9.451 1.00 2.66 O ATOM 244 ND2 ASN A 18 21.842 -7.958 10.532 1.00 3.18 N ATOM 0 H ASN A 18 19.210 -7.284 8.057 1.00 1.40 H new ATOM 0 HA ASN A 18 20.292 -6.186 10.601 1.00 1.45 H new ATOM 0 HB2 ASN A 18 21.267 -6.769 7.810 1.00 1.65 H new ATOM 0 HB3 ASN A 18 21.963 -5.350 8.567 1.00 1.65 H new ATOM 0 HD21 ASN A 18 22.434 -8.562 11.103 1.00 3.18 H new ATOM 0 HD22 ASN A 18 20.832 -7.950 10.676 1.00 3.18 H new ATOM 251 N THR A 19 18.842 -4.497 8.284 1.00 1.04 N ATOM 252 CA THR A 19 18.328 -3.155 7.941 1.00 1.02 C ATOM 253 C THR A 19 17.312 -3.260 6.822 1.00 1.18 C ATOM 254 O THR A 19 16.346 -2.524 6.783 1.00 2.22 O ATOM 255 CB THR A 19 19.492 -2.292 7.484 1.00 1.07 C ATOM 256 OG1 THR A 19 19.260 -1.019 8.053 1.00 1.26 O ATOM 257 CG2 THR A 19 19.439 -2.056 5.970 1.00 0.94 C ATOM 0 H THR A 19 18.484 -5.260 7.710 1.00 1.04 H new ATOM 0 HA THR A 19 17.849 -2.712 8.814 1.00 1.02 H new ATOM 0 HB THR A 19 20.433 -2.767 7.761 1.00 1.07 H new ATOM 0 HG1 THR A 19 18.843 -0.434 7.386 1.00 1.26 H new ATOM 0 HG21 THR A 19 20.283 -1.436 5.669 1.00 0.94 H new ATOM 0 HG22 THR A 19 19.488 -3.013 5.451 1.00 0.94 H new ATOM 0 HG23 THR A 19 18.508 -1.551 5.713 1.00 0.94 H new ATOM 265 N GLY A 20 17.547 -4.179 5.921 1.00 0.46 N ATOM 266 CA GLY A 20 16.600 -4.344 4.800 1.00 0.63 C ATOM 267 C GLY A 20 15.344 -4.950 5.368 1.00 0.57 C ATOM 268 O GLY A 20 15.391 -6.040 5.909 1.00 0.84 O ATOM 0 H GLY A 20 18.347 -4.812 5.920 1.00 0.46 H new ATOM 0 HA2 GLY A 20 16.387 -3.383 4.331 1.00 0.63 H new ATOM 0 HA3 GLY A 20 17.024 -4.988 4.029 1.00 0.63 H new ATOM 272 N PHE A 21 14.244 -4.243 5.236 1.00 0.32 N ATOM 273 CA PHE A 21 12.969 -4.767 5.775 1.00 0.29 C ATOM 274 C PHE A 21 11.969 -5.087 4.702 1.00 0.25 C ATOM 275 O PHE A 21 11.563 -4.234 3.937 1.00 0.27 O ATOM 276 CB PHE A 21 12.367 -3.694 6.700 1.00 0.34 C ATOM 277 CG PHE A 21 11.814 -2.540 5.855 1.00 0.33 C ATOM 278 CD1 PHE A 21 12.659 -1.561 5.360 1.00 1.18 C ATOM 279 CD2 PHE A 21 10.461 -2.468 5.562 1.00 1.27 C ATOM 280 CE1 PHE A 21 12.160 -0.532 4.588 1.00 1.19 C ATOM 281 CE2 PHE A 21 9.968 -1.437 4.789 1.00 1.28 C ATOM 282 CZ PHE A 21 10.817 -0.472 4.303 1.00 0.42 C ATOM 0 H PHE A 21 14.185 -3.333 4.780 1.00 0.32 H new ATOM 0 HA PHE A 21 13.186 -5.695 6.304 1.00 0.29 H new ATOM 0 HB2 PHE A 21 11.572 -4.127 7.307 1.00 0.34 H new ATOM 0 HB3 PHE A 21 13.127 -3.323 7.387 1.00 0.34 H new ATOM 0 HD1 PHE A 21 13.716 -1.603 5.580 1.00 1.18 H new ATOM 0 HD2 PHE A 21 9.789 -3.224 5.941 1.00 1.27 H new ATOM 0 HE1 PHE A 21 12.826 0.228 4.207 1.00 1.19 H new ATOM 0 HE2 PHE A 21 8.913 -1.388 4.565 1.00 1.28 H new ATOM 0 HZ PHE A 21 10.429 0.333 3.697 1.00 0.42 H new ATOM 292 N THR A 22 11.596 -6.324 4.646 1.00 0.28 N ATOM 293 CA THR A 22 10.622 -6.714 3.639 1.00 0.26 C ATOM 294 C THR A 22 9.289 -6.142 4.053 1.00 0.25 C ATOM 295 O THR A 22 9.173 -5.614 5.144 1.00 0.63 O ATOM 296 CB THR A 22 10.530 -8.228 3.601 1.00 0.31 C ATOM 297 OG1 THR A 22 10.320 -8.559 2.242 1.00 0.70 O ATOM 298 CG2 THR A 22 9.268 -8.701 4.314 1.00 0.74 C ATOM 0 H THR A 22 11.928 -7.071 5.256 1.00 0.28 H new ATOM 0 HA THR A 22 10.909 -6.347 2.654 1.00 0.26 H new ATOM 0 HB THR A 22 11.418 -8.668 4.055 1.00 0.31 H new ATOM 0 HG1 THR A 22 10.253 -9.532 2.149 1.00 0.70 H new ATOM 0 HG21 THR A 22 9.216 -9.789 4.278 1.00 0.74 H new ATOM 0 HG22 THR A 22 9.292 -8.373 5.353 1.00 0.74 H new ATOM 0 HG23 THR A 22 8.392 -8.280 3.821 1.00 0.74 H new ATOM 306 N ALA A 23 8.304 -6.244 3.216 1.00 0.41 N ATOM 307 CA ALA A 23 6.991 -5.685 3.610 1.00 0.35 C ATOM 308 C ALA A 23 5.838 -6.454 3.004 1.00 0.31 C ATOM 309 O ALA A 23 5.555 -6.333 1.832 1.00 0.36 O ATOM 310 CB ALA A 23 6.925 -4.235 3.121 1.00 0.41 C ATOM 0 H ALA A 23 8.347 -6.680 2.295 1.00 0.41 H new ATOM 0 HA ALA A 23 6.901 -5.752 4.694 1.00 0.35 H new ATOM 0 HB1 ALA A 23 5.965 -3.800 3.400 1.00 0.41 H new ATOM 0 HB2 ALA A 23 7.730 -3.660 3.578 1.00 0.41 H new ATOM 0 HB3 ALA A 23 7.033 -4.211 2.037 1.00 0.41 H new ATOM 316 N ASN A 24 5.194 -7.243 3.821 1.00 0.26 N ATOM 317 CA ASN A 24 4.050 -8.031 3.325 1.00 0.25 C ATOM 318 C ASN A 24 2.782 -7.218 3.529 1.00 0.22 C ATOM 319 O ASN A 24 2.274 -7.123 4.631 1.00 0.24 O ATOM 320 CB ASN A 24 3.959 -9.336 4.137 1.00 0.28 C ATOM 321 CG ASN A 24 3.901 -10.525 3.177 1.00 0.90 C ATOM 322 OD1 ASN A 24 4.909 -11.115 2.841 1.00 1.72 O ATOM 323 ND2 ASN A 24 2.743 -10.909 2.713 1.00 1.51 N ATOM 0 H ASN A 24 5.417 -7.370 4.808 1.00 0.26 H new ATOM 0 HA ASN A 24 4.175 -8.266 2.268 1.00 0.25 H new ATOM 0 HB2 ASN A 24 4.822 -9.428 4.797 1.00 0.28 H new ATOM 0 HB3 ASN A 24 3.073 -9.322 4.771 1.00 0.28 H new ATOM 0 HD21 ASN A 24 2.687 -11.700 2.072 1.00 1.51 H new ATOM 0 HD22 ASN A 24 1.894 -10.418 2.991 1.00 1.51 H new ATOM 330 N VAL A 25 2.303 -6.633 2.465 1.00 0.21 N ATOM 331 CA VAL A 25 1.070 -5.814 2.572 1.00 0.21 C ATOM 332 C VAL A 25 -0.158 -6.547 2.078 1.00 0.22 C ATOM 333 O VAL A 25 -0.102 -7.300 1.127 1.00 0.27 O ATOM 334 CB VAL A 25 1.263 -4.566 1.707 1.00 0.21 C ATOM 335 CG1 VAL A 25 -0.094 -3.928 1.422 1.00 0.23 C ATOM 336 CG2 VAL A 25 2.119 -3.564 2.473 1.00 0.22 C ATOM 0 H VAL A 25 2.712 -6.688 1.532 1.00 0.21 H new ATOM 0 HA VAL A 25 0.912 -5.573 3.623 1.00 0.21 H new ATOM 0 HB VAL A 25 1.746 -4.843 0.770 1.00 0.21 H new ATOM 0 HG11 VAL A 25 0.044 -3.039 0.806 1.00 0.23 H new ATOM 0 HG12 VAL A 25 -0.727 -4.641 0.894 1.00 0.23 H new ATOM 0 HG13 VAL A 25 -0.569 -3.648 2.362 1.00 0.23 H new ATOM 0 HG21 VAL A 25 2.263 -2.670 1.866 1.00 0.22 H new ATOM 0 HG22 VAL A 25 1.619 -3.294 3.403 1.00 0.22 H new ATOM 0 HG23 VAL A 25 3.088 -4.010 2.698 1.00 0.22 H new ATOM 346 N THR A 26 -1.251 -6.305 2.748 1.00 0.21 N ATOM 347 CA THR A 26 -2.523 -6.956 2.363 1.00 0.23 C ATOM 348 C THR A 26 -3.630 -5.916 2.348 1.00 0.24 C ATOM 349 O THR A 26 -3.948 -5.332 3.363 1.00 0.41 O ATOM 350 CB THR A 26 -2.862 -8.024 3.390 1.00 0.28 C ATOM 351 OG1 THR A 26 -1.621 -8.556 3.804 1.00 0.39 O ATOM 352 CG2 THR A 26 -3.591 -9.204 2.730 1.00 0.40 C ATOM 0 H THR A 26 -1.312 -5.679 3.551 1.00 0.21 H new ATOM 0 HA THR A 26 -2.425 -7.406 1.375 1.00 0.23 H new ATOM 0 HB THR A 26 -3.474 -7.593 4.182 1.00 0.28 H new ATOM 0 HG1 THR A 26 -1.772 -9.374 4.322 1.00 0.39 H new ATOM 0 HG21 THR A 26 -3.823 -9.956 3.484 1.00 0.40 H new ATOM 0 HG22 THR A 26 -4.515 -8.851 2.273 1.00 0.40 H new ATOM 0 HG23 THR A 26 -2.952 -9.644 1.964 1.00 0.40 H new ATOM 360 N VAL A 27 -4.201 -5.704 1.202 1.00 0.24 N ATOM 361 CA VAL A 27 -5.285 -4.701 1.107 1.00 0.23 C ATOM 362 C VAL A 27 -6.640 -5.280 1.470 1.00 0.26 C ATOM 363 O VAL A 27 -6.884 -6.460 1.320 1.00 0.53 O ATOM 364 CB VAL A 27 -5.340 -4.201 -0.336 1.00 0.23 C ATOM 365 CG1 VAL A 27 -5.768 -2.738 -0.345 1.00 0.26 C ATOM 366 CG2 VAL A 27 -3.953 -4.315 -0.954 1.00 0.33 C ATOM 0 H VAL A 27 -3.965 -6.180 0.331 1.00 0.24 H new ATOM 0 HA VAL A 27 -5.069 -3.897 1.811 1.00 0.23 H new ATOM 0 HB VAL A 27 -6.053 -4.798 -0.906 1.00 0.23 H new ATOM 0 HG11 VAL A 27 -5.809 -2.377 -1.373 1.00 0.26 H new ATOM 0 HG12 VAL A 27 -6.753 -2.644 0.112 1.00 0.26 H new ATOM 0 HG13 VAL A 27 -5.049 -2.145 0.220 1.00 0.26 H new ATOM 0 HG21 VAL A 27 -3.983 -3.960 -1.984 1.00 0.33 H new ATOM 0 HG22 VAL A 27 -3.249 -3.710 -0.382 1.00 0.33 H new ATOM 0 HG23 VAL A 27 -3.632 -5.357 -0.938 1.00 0.33 H new ATOM 376 N LYS A 28 -7.495 -4.418 1.942 1.00 0.28 N ATOM 377 CA LYS A 28 -8.860 -4.854 2.335 1.00 0.28 C ATOM 378 C LYS A 28 -9.878 -3.824 1.904 1.00 0.24 C ATOM 379 O LYS A 28 -10.001 -2.781 2.514 1.00 0.28 O ATOM 380 CB LYS A 28 -8.922 -4.987 3.873 1.00 0.34 C ATOM 381 CG LYS A 28 -10.405 -5.145 4.349 1.00 0.38 C ATOM 382 CD LYS A 28 -10.852 -6.605 4.180 1.00 0.78 C ATOM 383 CE LYS A 28 -11.851 -6.985 5.281 1.00 0.88 C ATOM 384 NZ LYS A 28 -11.829 -8.457 5.505 1.00 2.06 N ATOM 0 H LYS A 28 -7.305 -3.424 2.073 1.00 0.28 H new ATOM 0 HA LYS A 28 -9.080 -5.808 1.857 1.00 0.28 H new ATOM 0 HB2 LYS A 28 -8.337 -5.849 4.193 1.00 0.34 H new ATOM 0 HB3 LYS A 28 -8.476 -4.108 4.338 1.00 0.34 H new ATOM 0 HG2 LYS A 28 -10.495 -4.846 5.393 1.00 0.38 H new ATOM 0 HG3 LYS A 28 -11.054 -4.487 3.771 1.00 0.38 H new ATOM 0 HD2 LYS A 28 -11.310 -6.741 3.200 1.00 0.78 H new ATOM 0 HD3 LYS A 28 -9.986 -7.265 4.221 1.00 0.78 H new ATOM 0 HE2 LYS A 28 -11.601 -6.465 6.206 1.00 0.88 H new ATOM 0 HE3 LYS A 28 -12.854 -6.667 4.998 1.00 0.88 H new ATOM 0 HZ1 LYS A 28 -12.509 -8.705 6.252 1.00 2.06 H new ATOM 0 HZ2 LYS A 28 -12.089 -8.946 4.625 1.00 2.06 H new ATOM 0 HZ3 LYS A 28 -10.874 -8.750 5.795 1.00 2.06 H new ATOM 398 N ASN A 29 -10.591 -4.133 0.869 1.00 0.26 N ATOM 399 CA ASN A 29 -11.613 -3.186 0.380 1.00 0.29 C ATOM 400 C ASN A 29 -12.985 -3.625 0.852 1.00 0.29 C ATOM 401 O ASN A 29 -13.374 -4.774 0.667 1.00 0.32 O ATOM 402 CB ASN A 29 -11.592 -3.187 -1.150 1.00 0.37 C ATOM 403 CG ASN A 29 -12.652 -2.213 -1.664 1.00 0.47 C ATOM 404 OD1 ASN A 29 -12.375 -1.341 -2.464 1.00 0.69 O ATOM 405 ND2 ASN A 29 -13.876 -2.326 -1.229 1.00 1.09 N ATOM 0 H ASN A 29 -10.510 -5.001 0.340 1.00 0.26 H new ATOM 0 HA ASN A 29 -11.400 -2.188 0.763 1.00 0.29 H new ATOM 0 HB2 ASN A 29 -10.606 -2.896 -1.513 1.00 0.37 H new ATOM 0 HB3 ASN A 29 -11.788 -4.190 -1.528 1.00 0.37 H new ATOM 0 HD21 ASN A 29 -14.596 -1.684 -1.560 1.00 1.09 H new ATOM 0 HD22 ASN A 29 -14.113 -3.056 -0.558 1.00 1.09 H new ATOM 412 N THR A 30 -13.688 -2.709 1.468 1.00 0.41 N ATOM 413 CA THR A 30 -15.044 -3.023 1.973 1.00 0.50 C ATOM 414 C THR A 30 -16.009 -1.913 1.600 1.00 0.57 C ATOM 415 O THR A 30 -17.130 -1.872 2.067 1.00 0.65 O ATOM 416 CB THR A 30 -14.979 -3.131 3.498 1.00 0.59 C ATOM 417 OG1 THR A 30 -16.324 -3.215 3.925 1.00 0.76 O ATOM 418 CG2 THR A 30 -14.457 -1.827 4.117 1.00 0.69 C ATOM 0 H THR A 30 -13.373 -1.754 1.640 1.00 0.41 H new ATOM 0 HA THR A 30 -15.390 -3.959 1.534 1.00 0.50 H new ATOM 0 HB THR A 30 -14.342 -3.969 3.782 1.00 0.59 H new ATOM 0 HG1 THR A 30 -16.797 -2.392 3.680 1.00 0.76 H new ATOM 0 HG21 THR A 30 -14.420 -1.928 5.202 1.00 0.69 H new ATOM 0 HG22 THR A 30 -13.457 -1.619 3.738 1.00 0.69 H new ATOM 0 HG23 THR A 30 -15.123 -1.006 3.852 1.00 0.69 H new ATOM 426 N SER A 31 -15.552 -1.028 0.758 1.00 0.58 N ATOM 427 CA SER A 31 -16.419 0.091 0.336 1.00 0.70 C ATOM 428 C SER A 31 -17.687 -0.423 -0.332 1.00 0.74 C ATOM 429 O SER A 31 -18.711 -0.537 0.304 1.00 1.28 O ATOM 430 CB SER A 31 -15.647 0.949 -0.668 1.00 0.79 C ATOM 431 OG SER A 31 -14.774 0.032 -1.313 1.00 0.82 O ATOM 0 H SER A 31 -14.618 -1.037 0.349 1.00 0.58 H new ATOM 0 HA SER A 31 -16.700 0.671 1.215 1.00 0.70 H new ATOM 0 HB2 SER A 31 -16.318 1.428 -1.381 1.00 0.79 H new ATOM 0 HB3 SER A 31 -15.092 1.743 -0.169 1.00 0.79 H new ATOM 0 HG SER A 31 -14.237 0.507 -1.981 1.00 0.82 H new ATOM 437 N SER A 32 -17.583 -0.738 -1.608 1.00 0.62 N ATOM 438 CA SER A 32 -18.777 -1.251 -2.354 1.00 0.58 C ATOM 439 C SER A 32 -18.568 -1.146 -3.884 1.00 0.62 C ATOM 440 O SER A 32 -19.465 -0.754 -4.607 1.00 0.82 O ATOM 441 CB SER A 32 -20.013 -0.399 -1.949 1.00 0.67 C ATOM 442 OG SER A 32 -19.469 0.873 -1.627 1.00 0.76 O ATOM 0 H SER A 32 -16.728 -0.661 -2.158 1.00 0.62 H new ATOM 0 HA SER A 32 -18.927 -2.301 -2.102 1.00 0.58 H new ATOM 0 HB2 SER A 32 -20.733 -0.329 -2.764 1.00 0.67 H new ATOM 0 HB3 SER A 32 -20.536 -0.835 -1.098 1.00 0.67 H new ATOM 0 HG SER A 32 -20.191 1.479 -1.359 1.00 0.76 H new ATOM 448 N ALA A 33 -17.383 -1.497 -4.357 1.00 0.58 N ATOM 449 CA ALA A 33 -17.144 -1.411 -5.819 1.00 0.66 C ATOM 450 C ALA A 33 -16.191 -2.521 -6.296 1.00 0.57 C ATOM 451 O ALA A 33 -15.393 -3.033 -5.531 1.00 0.52 O ATOM 452 CB ALA A 33 -16.501 -0.048 -6.119 1.00 0.82 C ATOM 0 H ALA A 33 -16.598 -1.830 -3.798 1.00 0.58 H new ATOM 0 HA ALA A 33 -18.095 -1.528 -6.339 1.00 0.66 H new ATOM 0 HB1 ALA A 33 -16.315 0.039 -7.190 1.00 0.82 H new ATOM 0 HB2 ALA A 33 -17.173 0.749 -5.801 1.00 0.82 H new ATOM 0 HB3 ALA A 33 -15.558 0.036 -5.579 1.00 0.82 H new ATOM 458 N PRO A 34 -16.321 -2.900 -7.563 1.00 0.60 N ATOM 459 CA PRO A 34 -15.473 -3.942 -8.140 1.00 0.56 C ATOM 460 C PRO A 34 -14.041 -3.438 -8.293 1.00 0.50 C ATOM 461 O PRO A 34 -13.738 -2.715 -9.222 1.00 0.60 O ATOM 462 CB PRO A 34 -16.064 -4.201 -9.542 1.00 0.68 C ATOM 463 CG PRO A 34 -17.132 -3.095 -9.802 1.00 0.76 C ATOM 464 CD PRO A 34 -17.343 -2.350 -8.474 1.00 0.72 C ATOM 0 HA PRO A 34 -15.448 -4.834 -7.514 1.00 0.56 H new ATOM 0 HB2 PRO A 34 -15.283 -4.168 -10.301 1.00 0.68 H new ATOM 0 HB3 PRO A 34 -16.516 -5.192 -9.592 1.00 0.68 H new ATOM 0 HG2 PRO A 34 -16.795 -2.409 -10.579 1.00 0.76 H new ATOM 0 HG3 PRO A 34 -18.066 -3.536 -10.149 1.00 0.76 H new ATOM 0 HD2 PRO A 34 -17.221 -1.274 -8.601 1.00 0.72 H new ATOM 0 HD3 PRO A 34 -18.348 -2.513 -8.085 1.00 0.72 H new ATOM 472 N VAL A 35 -13.184 -3.819 -7.390 1.00 0.34 N ATOM 473 CA VAL A 35 -11.782 -3.351 -7.500 1.00 0.31 C ATOM 474 C VAL A 35 -11.009 -4.149 -8.545 1.00 0.29 C ATOM 475 O VAL A 35 -10.548 -5.243 -8.281 1.00 0.41 O ATOM 476 CB VAL A 35 -11.086 -3.516 -6.139 1.00 0.30 C ATOM 477 CG1 VAL A 35 -9.956 -2.491 -6.032 1.00 0.36 C ATOM 478 CG2 VAL A 35 -12.090 -3.270 -5.015 1.00 0.33 C ATOM 0 H VAL A 35 -13.390 -4.423 -6.595 1.00 0.34 H new ATOM 0 HA VAL A 35 -11.797 -2.304 -7.803 1.00 0.31 H new ATOM 0 HB VAL A 35 -10.686 -4.526 -6.054 1.00 0.30 H new ATOM 0 HG11 VAL A 35 -9.456 -2.600 -5.070 1.00 0.36 H new ATOM 0 HG12 VAL A 35 -9.238 -2.656 -6.835 1.00 0.36 H new ATOM 0 HG13 VAL A 35 -10.368 -1.485 -6.115 1.00 0.36 H new ATOM 0 HG21 VAL A 35 -11.594 -3.388 -4.052 1.00 0.33 H new ATOM 0 HG22 VAL A 35 -12.488 -2.258 -5.097 1.00 0.33 H new ATOM 0 HG23 VAL A 35 -12.906 -3.988 -5.093 1.00 0.33 H new ATOM 488 N ASP A 36 -10.898 -3.580 -9.719 1.00 0.25 N ATOM 489 CA ASP A 36 -10.161 -4.262 -10.818 1.00 0.24 C ATOM 490 C ASP A 36 -8.843 -3.547 -11.040 1.00 0.22 C ATOM 491 O ASP A 36 -8.561 -3.062 -12.118 1.00 0.36 O ATOM 492 CB ASP A 36 -11.001 -4.167 -12.098 1.00 0.28 C ATOM 493 CG ASP A 36 -10.535 -5.233 -13.093 1.00 0.36 C ATOM 494 OD1 ASP A 36 -9.682 -6.009 -12.694 1.00 1.23 O ATOM 495 OD2 ASP A 36 -11.058 -5.210 -14.195 1.00 1.09 O ATOM 0 H ASP A 36 -11.289 -2.669 -9.961 1.00 0.25 H new ATOM 0 HA ASP A 36 -9.979 -5.306 -10.563 1.00 0.24 H new ATOM 0 HB2 ASP A 36 -12.056 -4.308 -11.865 1.00 0.28 H new ATOM 0 HB3 ASP A 36 -10.902 -3.175 -12.538 1.00 0.28 H new ATOM 500 N GLY A 37 -8.062 -3.501 -10.003 1.00 0.18 N ATOM 501 CA GLY A 37 -6.742 -2.821 -10.092 1.00 0.21 C ATOM 502 C GLY A 37 -6.870 -1.445 -9.440 1.00 0.21 C ATOM 503 O GLY A 37 -7.962 -0.922 -9.332 1.00 0.28 O ATOM 0 H GLY A 37 -8.280 -3.906 -9.093 1.00 0.18 H new ATOM 0 HA2 GLY A 37 -5.976 -3.411 -9.589 1.00 0.21 H new ATOM 0 HA3 GLY A 37 -6.435 -2.721 -11.133 1.00 0.21 H new ATOM 507 N TRP A 38 -5.779 -0.873 -9.017 1.00 0.18 N ATOM 508 CA TRP A 38 -5.895 0.465 -8.381 1.00 0.19 C ATOM 509 C TRP A 38 -4.550 1.106 -8.147 1.00 0.20 C ATOM 510 O TRP A 38 -3.524 0.532 -8.433 1.00 0.19 O ATOM 511 CB TRP A 38 -6.603 0.301 -7.020 1.00 0.20 C ATOM 512 CG TRP A 38 -5.987 -0.871 -6.234 1.00 0.19 C ATOM 513 CD1 TRP A 38 -6.512 -2.084 -6.192 1.00 0.19 C ATOM 514 CD2 TRP A 38 -4.864 -0.813 -5.540 1.00 0.19 C ATOM 515 NE1 TRP A 38 -5.651 -2.782 -5.434 1.00 0.18 N ATOM 516 CE2 TRP A 38 -4.565 -2.045 -4.981 1.00 0.19 C ATOM 517 CE3 TRP A 38 -4.003 0.249 -5.339 1.00 0.21 C ATOM 518 CZ2 TRP A 38 -3.405 -2.202 -4.237 1.00 0.20 C ATOM 519 CZ3 TRP A 38 -2.851 0.078 -4.596 1.00 0.22 C ATOM 520 CH2 TRP A 38 -2.558 -1.142 -4.048 1.00 0.21 C ATOM 0 H TRP A 38 -4.838 -1.261 -9.081 1.00 0.18 H new ATOM 0 HA TRP A 38 -6.460 1.109 -9.055 1.00 0.19 H new ATOM 0 HB2 TRP A 38 -6.514 1.221 -6.443 1.00 0.20 H new ATOM 0 HB3 TRP A 38 -7.667 0.124 -7.175 1.00 0.20 H new ATOM 0 HD1 TRP A 38 -7.422 -2.432 -6.659 1.00 0.19 H new ATOM 0 HE1 TRP A 38 -5.783 -3.768 -5.210 1.00 0.18 H new ATOM 0 HE3 TRP A 38 -4.231 1.215 -5.764 1.00 0.21 H new ATOM 0 HZ2 TRP A 38 -3.169 -3.163 -3.805 1.00 0.20 H new ATOM 0 HZ3 TRP A 38 -2.179 0.910 -4.447 1.00 0.22 H new ATOM 0 HH2 TRP A 38 -1.657 -1.269 -3.466 1.00 0.21 H new ATOM 531 N THR A 39 -4.591 2.304 -7.627 1.00 0.21 N ATOM 532 CA THR A 39 -3.341 3.033 -7.350 1.00 0.22 C ATOM 533 C THR A 39 -3.449 3.808 -6.038 1.00 0.22 C ATOM 534 O THR A 39 -4.029 4.875 -5.995 1.00 0.29 O ATOM 535 CB THR A 39 -3.108 4.027 -8.483 1.00 0.22 C ATOM 536 OG1 THR A 39 -3.719 3.452 -9.620 1.00 0.23 O ATOM 537 CG2 THR A 39 -1.627 4.097 -8.835 1.00 0.25 C ATOM 0 H THR A 39 -5.447 2.803 -7.384 1.00 0.21 H new ATOM 0 HA THR A 39 -2.519 2.321 -7.273 1.00 0.22 H new ATOM 0 HB THR A 39 -3.483 5.010 -8.199 1.00 0.22 H new ATOM 0 HG1 THR A 39 -3.605 4.048 -10.389 1.00 0.23 H new ATOM 0 HG21 THR A 39 -1.479 4.811 -9.645 1.00 0.25 H new ATOM 0 HG22 THR A 39 -1.060 4.417 -7.961 1.00 0.25 H new ATOM 0 HG23 THR A 39 -1.281 3.113 -9.151 1.00 0.25 H new ATOM 545 N LEU A 40 -2.895 3.264 -4.986 1.00 0.21 N ATOM 546 CA LEU A 40 -2.977 3.984 -3.691 1.00 0.22 C ATOM 547 C LEU A 40 -1.829 4.949 -3.575 1.00 0.21 C ATOM 548 O LEU A 40 -0.953 4.970 -4.418 1.00 0.21 O ATOM 549 CB LEU A 40 -2.937 2.964 -2.517 1.00 0.23 C ATOM 550 CG LEU A 40 -1.562 2.988 -1.826 1.00 0.22 C ATOM 551 CD1 LEU A 40 -1.509 1.864 -0.784 1.00 0.24 C ATOM 552 CD2 LEU A 40 -0.458 2.757 -2.853 1.00 0.21 C ATOM 0 H LEU A 40 -2.401 2.372 -4.970 1.00 0.21 H new ATOM 0 HA LEU A 40 -3.914 4.538 -3.646 1.00 0.22 H new ATOM 0 HB2 LEU A 40 -3.718 3.202 -1.794 1.00 0.23 H new ATOM 0 HB3 LEU A 40 -3.144 1.962 -2.892 1.00 0.23 H new ATOM 0 HG LEU A 40 -1.416 3.957 -1.349 1.00 0.22 H new ATOM 0 HD11 LEU A 40 -0.538 1.873 -0.289 1.00 0.24 H new ATOM 0 HD12 LEU A 40 -2.295 2.016 -0.044 1.00 0.24 H new ATOM 0 HD13 LEU A 40 -1.656 0.903 -1.277 1.00 0.24 H new ATOM 0 HD21 LEU A 40 0.512 2.776 -2.355 1.00 0.21 H new ATOM 0 HD22 LEU A 40 -0.602 1.788 -3.331 1.00 0.21 H new ATOM 0 HD23 LEU A 40 -0.493 3.542 -3.608 1.00 0.21 H new ATOM 564 N THR A 41 -1.840 5.748 -2.557 1.00 0.21 N ATOM 565 CA THR A 41 -0.736 6.699 -2.418 1.00 0.21 C ATOM 566 C THR A 41 -0.588 7.209 -0.998 1.00 0.19 C ATOM 567 O THR A 41 -1.554 7.339 -0.259 1.00 0.20 O ATOM 568 CB THR A 41 -1.014 7.888 -3.338 1.00 0.23 C ATOM 569 OG1 THR A 41 -0.552 7.490 -4.613 1.00 0.41 O ATOM 570 CG2 THR A 41 -0.130 9.084 -2.961 1.00 0.27 C ATOM 0 H THR A 41 -2.555 5.780 -1.830 1.00 0.21 H new ATOM 0 HA THR A 41 0.189 6.187 -2.683 1.00 0.21 H new ATOM 0 HB THR A 41 -2.068 8.160 -3.285 1.00 0.23 H new ATOM 0 HG1 THR A 41 -0.396 6.522 -4.617 1.00 0.41 H new ATOM 0 HG21 THR A 41 -0.344 9.919 -3.628 1.00 0.27 H new ATOM 0 HG22 THR A 41 -0.337 9.379 -1.932 1.00 0.27 H new ATOM 0 HG23 THR A 41 0.919 8.805 -3.054 1.00 0.27 H new ATOM 578 N PHE A 42 0.641 7.463 -0.653 1.00 0.20 N ATOM 579 CA PHE A 42 0.970 7.973 0.691 1.00 0.23 C ATOM 580 C PHE A 42 2.448 8.298 0.724 1.00 0.24 C ATOM 581 O PHE A 42 2.985 8.761 -0.262 1.00 0.29 O ATOM 582 CB PHE A 42 0.627 6.914 1.762 1.00 0.28 C ATOM 583 CG PHE A 42 1.570 5.714 1.670 1.00 0.27 C ATOM 584 CD1 PHE A 42 1.447 4.795 0.643 1.00 1.16 C ATOM 585 CD2 PHE A 42 2.516 5.496 2.656 1.00 1.14 C ATOM 586 CE1 PHE A 42 2.254 3.676 0.609 1.00 1.20 C ATOM 587 CE2 PHE A 42 3.319 4.378 2.619 1.00 1.15 C ATOM 588 CZ PHE A 42 3.188 3.469 1.600 1.00 0.46 C ATOM 0 H PHE A 42 1.446 7.333 -1.266 1.00 0.20 H new ATOM 0 HA PHE A 42 0.387 8.869 0.906 1.00 0.23 H new ATOM 0 HB2 PHE A 42 0.696 7.360 2.754 1.00 0.28 H new ATOM 0 HB3 PHE A 42 -0.403 6.582 1.633 1.00 0.28 H new ATOM 0 HD1 PHE A 42 0.716 4.954 -0.136 1.00 1.16 H new ATOM 0 HD2 PHE A 42 2.625 6.208 3.461 1.00 1.14 H new ATOM 0 HE1 PHE A 42 2.153 2.962 -0.195 1.00 1.20 H new ATOM 0 HE2 PHE A 42 4.054 4.216 3.394 1.00 1.15 H new ATOM 0 HZ PHE A 42 3.817 2.591 1.575 1.00 0.46 H new ATOM 598 N SER A 43 3.100 8.058 1.817 1.00 0.23 N ATOM 599 CA SER A 43 4.546 8.380 1.838 1.00 0.26 C ATOM 600 C SER A 43 5.273 7.688 2.967 1.00 0.29 C ATOM 601 O SER A 43 4.676 7.262 3.929 1.00 0.48 O ATOM 602 CB SER A 43 4.703 9.897 2.023 1.00 0.30 C ATOM 603 OG SER A 43 4.381 10.440 0.755 1.00 0.51 O ATOM 0 H SER A 43 2.711 7.665 2.674 1.00 0.23 H new ATOM 0 HA SER A 43 4.978 8.036 0.898 1.00 0.26 H new ATOM 0 HB2 SER A 43 4.036 10.274 2.798 1.00 0.30 H new ATOM 0 HB3 SER A 43 5.718 10.158 2.321 1.00 0.30 H new ATOM 0 HG SER A 43 4.049 9.728 0.169 1.00 0.51 H new ATOM 609 N PHE A 44 6.566 7.593 2.822 1.00 0.21 N ATOM 610 CA PHE A 44 7.370 6.933 3.877 1.00 0.25 C ATOM 611 C PHE A 44 7.951 8.007 4.819 1.00 0.34 C ATOM 612 O PHE A 44 8.770 8.805 4.407 1.00 0.50 O ATOM 613 CB PHE A 44 8.529 6.172 3.200 1.00 0.27 C ATOM 614 CG PHE A 44 8.095 4.716 2.927 1.00 0.26 C ATOM 615 CD1 PHE A 44 7.591 3.922 3.951 1.00 1.19 C ATOM 616 CD2 PHE A 44 8.180 4.183 1.649 1.00 1.23 C ATOM 617 CE1 PHE A 44 7.178 2.626 3.694 1.00 1.22 C ATOM 618 CE2 PHE A 44 7.765 2.885 1.401 1.00 1.21 C ATOM 619 CZ PHE A 44 7.265 2.111 2.422 1.00 0.33 C ATOM 0 H PHE A 44 7.094 7.943 2.022 1.00 0.21 H new ATOM 0 HA PHE A 44 6.749 6.245 4.450 1.00 0.25 H new ATOM 0 HB2 PHE A 44 8.804 6.662 2.266 1.00 0.27 H new ATOM 0 HB3 PHE A 44 9.411 6.186 3.840 1.00 0.27 H new ATOM 0 HD1 PHE A 44 7.521 4.319 4.953 1.00 1.19 H new ATOM 0 HD2 PHE A 44 8.572 4.784 0.842 1.00 1.23 H new ATOM 0 HE1 PHE A 44 6.786 2.017 4.495 1.00 1.22 H new ATOM 0 HE2 PHE A 44 7.834 2.479 0.402 1.00 1.21 H new ATOM 0 HZ PHE A 44 6.941 1.100 2.225 1.00 0.33 H new ATOM 629 N PRO A 45 7.517 8.014 6.081 1.00 0.33 N ATOM 630 CA PRO A 45 8.010 8.999 7.041 1.00 0.42 C ATOM 631 C PRO A 45 9.524 8.962 7.150 1.00 0.44 C ATOM 632 O PRO A 45 10.199 9.889 6.749 1.00 0.60 O ATOM 633 CB PRO A 45 7.370 8.602 8.387 1.00 0.51 C ATOM 634 CG PRO A 45 6.386 7.428 8.103 1.00 0.61 C ATOM 635 CD PRO A 45 6.554 7.041 6.624 1.00 0.42 C ATOM 0 HA PRO A 45 7.750 10.013 6.736 1.00 0.42 H new ATOM 0 HB2 PRO A 45 8.135 8.298 9.102 1.00 0.51 H new ATOM 0 HB3 PRO A 45 6.842 9.448 8.826 1.00 0.51 H new ATOM 0 HG2 PRO A 45 6.604 6.578 8.750 1.00 0.61 H new ATOM 0 HG3 PRO A 45 5.359 7.729 8.308 1.00 0.61 H new ATOM 0 HD2 PRO A 45 6.924 6.021 6.523 1.00 0.42 H new ATOM 0 HD3 PRO A 45 5.603 7.089 6.093 1.00 0.42 H new ATOM 643 N SER A 46 10.037 7.897 7.689 1.00 0.47 N ATOM 644 CA SER A 46 11.505 7.801 7.823 1.00 0.63 C ATOM 645 C SER A 46 12.153 7.636 6.459 1.00 0.65 C ATOM 646 O SER A 46 11.589 8.014 5.451 1.00 1.27 O ATOM 647 CB SER A 46 11.834 6.576 8.678 1.00 0.79 C ATOM 648 OG SER A 46 13.153 6.827 9.143 1.00 1.52 O ATOM 0 H SER A 46 9.507 7.098 8.038 1.00 0.47 H new ATOM 0 HA SER A 46 11.885 8.712 8.286 1.00 0.63 H new ATOM 0 HB2 SER A 46 11.133 6.467 9.505 1.00 0.79 H new ATOM 0 HB3 SER A 46 11.784 5.657 8.094 1.00 0.79 H new ATOM 0 HG SER A 46 13.164 7.657 9.664 1.00 1.52 H new ATOM 654 N GLY A 47 13.327 7.077 6.447 1.00 0.86 N ATOM 655 CA GLY A 47 14.026 6.881 5.151 1.00 0.93 C ATOM 656 C GLY A 47 13.715 5.496 4.585 1.00 0.80 C ATOM 657 O GLY A 47 14.607 4.772 4.189 1.00 1.05 O ATOM 0 H GLY A 47 13.830 6.749 7.272 1.00 0.86 H new ATOM 0 HA2 GLY A 47 13.715 7.649 4.443 1.00 0.93 H new ATOM 0 HA3 GLY A 47 15.101 6.992 5.290 1.00 0.93 H new ATOM 661 N GLN A 48 12.452 5.151 4.556 1.00 0.52 N ATOM 662 CA GLN A 48 12.079 3.822 4.020 1.00 0.52 C ATOM 663 C GLN A 48 11.931 3.877 2.510 1.00 0.52 C ATOM 664 O GLN A 48 10.898 4.269 2.003 1.00 0.79 O ATOM 665 CB GLN A 48 10.735 3.407 4.632 1.00 0.65 C ATOM 666 CG GLN A 48 10.903 3.230 6.140 1.00 0.88 C ATOM 667 CD GLN A 48 10.670 1.764 6.502 1.00 1.07 C ATOM 668 OE1 GLN A 48 9.732 1.142 6.045 1.00 1.71 O ATOM 669 NE2 GLN A 48 11.498 1.175 7.319 1.00 1.82 N ATOM 0 H GLN A 48 11.676 5.730 4.878 1.00 0.52 H new ATOM 0 HA GLN A 48 12.860 3.105 4.273 1.00 0.52 H new ATOM 0 HB2 GLN A 48 9.978 4.164 4.425 1.00 0.65 H new ATOM 0 HB3 GLN A 48 10.388 2.477 4.181 1.00 0.65 H new ATOM 0 HG2 GLN A 48 11.903 3.538 6.445 1.00 0.88 H new ATOM 0 HG3 GLN A 48 10.197 3.866 6.674 1.00 0.88 H new ATOM 0 HE21 GLN A 48 12.287 1.692 7.706 1.00 1.82 H new ATOM 0 HE22 GLN A 48 11.356 0.197 7.571 1.00 1.82 H new ATOM 678 N GLN A 49 12.971 3.479 1.817 1.00 0.41 N ATOM 679 CA GLN A 49 12.919 3.498 0.330 1.00 0.56 C ATOM 680 C GLN A 49 12.811 2.083 -0.225 1.00 0.43 C ATOM 681 O GLN A 49 13.732 1.298 -0.118 1.00 0.48 O ATOM 682 CB GLN A 49 14.214 4.145 -0.192 1.00 0.76 C ATOM 683 CG GLN A 49 15.422 3.390 0.363 1.00 1.13 C ATOM 684 CD GLN A 49 16.064 2.576 -0.762 1.00 2.08 C ATOM 685 OE1 GLN A 49 17.254 2.329 -0.763 1.00 2.82 O ATOM 686 NE2 GLN A 49 15.313 2.144 -1.739 1.00 2.32 N ATOM 0 H GLN A 49 13.847 3.144 2.218 1.00 0.41 H new ATOM 0 HA GLN A 49 12.044 4.064 0.009 1.00 0.56 H new ATOM 0 HB2 GLN A 49 14.229 4.125 -1.282 1.00 0.76 H new ATOM 0 HB3 GLN A 49 14.257 5.192 0.109 1.00 0.76 H new ATOM 0 HG2 GLN A 49 16.145 4.091 0.779 1.00 1.13 H new ATOM 0 HG3 GLN A 49 15.113 2.731 1.175 1.00 1.13 H new ATOM 0 HE21 GLN A 49 14.314 2.349 -1.743 1.00 2.32 H new ATOM 0 HE22 GLN A 49 15.726 1.602 -2.498 1.00 2.32 H new ATOM 695 N VAL A 50 11.681 1.779 -0.803 1.00 0.37 N ATOM 696 CA VAL A 50 11.495 0.427 -1.366 1.00 0.29 C ATOM 697 C VAL A 50 12.407 0.197 -2.561 1.00 0.28 C ATOM 698 O VAL A 50 12.866 1.134 -3.184 1.00 0.36 O ATOM 699 CB VAL A 50 10.042 0.298 -1.814 1.00 0.40 C ATOM 700 CG1 VAL A 50 9.621 1.579 -2.537 1.00 0.47 C ATOM 701 CG2 VAL A 50 9.911 -0.890 -2.770 1.00 0.47 C ATOM 0 H VAL A 50 10.886 2.410 -0.906 1.00 0.37 H new ATOM 0 HA VAL A 50 11.742 -0.314 -0.606 1.00 0.29 H new ATOM 0 HB VAL A 50 9.403 0.141 -0.945 1.00 0.40 H new ATOM 0 HG11 VAL A 50 8.583 1.491 -2.859 1.00 0.47 H new ATOM 0 HG12 VAL A 50 9.720 2.428 -1.861 1.00 0.47 H new ATOM 0 HG13 VAL A 50 10.259 1.732 -3.407 1.00 0.47 H new ATOM 0 HG21 VAL A 50 8.874 -0.985 -3.092 1.00 0.47 H new ATOM 0 HG22 VAL A 50 10.548 -0.729 -3.640 1.00 0.47 H new ATOM 0 HG23 VAL A 50 10.218 -1.803 -2.260 1.00 0.47 H new ATOM 711 N THR A 51 12.654 -1.057 -2.853 1.00 0.24 N ATOM 712 CA THR A 51 13.538 -1.391 -4.007 1.00 0.31 C ATOM 713 C THR A 51 12.910 -2.479 -4.859 1.00 0.28 C ATOM 714 O THR A 51 12.577 -2.258 -6.006 1.00 0.37 O ATOM 715 CB THR A 51 14.881 -1.896 -3.466 1.00 0.39 C ATOM 716 OG1 THR A 51 14.605 -3.155 -2.890 1.00 0.79 O ATOM 717 CG2 THR A 51 15.356 -1.029 -2.291 1.00 0.56 C ATOM 0 H THR A 51 12.282 -1.858 -2.343 1.00 0.24 H new ATOM 0 HA THR A 51 13.679 -0.500 -4.619 1.00 0.31 H new ATOM 0 HB THR A 51 15.623 -1.898 -4.265 1.00 0.39 H new ATOM 0 HG1 THR A 51 14.169 -3.029 -2.021 1.00 0.79 H new ATOM 0 HG21 THR A 51 16.310 -1.406 -1.923 1.00 0.56 H new ATOM 0 HG22 THR A 51 15.477 0.002 -2.625 1.00 0.56 H new ATOM 0 HG23 THR A 51 14.618 -1.066 -1.490 1.00 0.56 H new ATOM 725 N GLN A 52 12.759 -3.637 -4.287 1.00 0.22 N ATOM 726 CA GLN A 52 12.149 -4.749 -5.059 1.00 0.23 C ATOM 727 C GLN A 52 10.642 -4.710 -4.895 1.00 0.27 C ATOM 728 O GLN A 52 10.141 -4.026 -4.034 1.00 0.55 O ATOM 729 CB GLN A 52 12.680 -6.083 -4.510 1.00 0.32 C ATOM 730 CG GLN A 52 13.625 -6.711 -5.536 1.00 0.99 C ATOM 731 CD GLN A 52 14.072 -8.087 -5.037 1.00 1.16 C ATOM 732 OE1 GLN A 52 14.504 -8.928 -5.801 1.00 1.70 O ATOM 733 NE2 GLN A 52 13.986 -8.358 -3.762 1.00 1.70 N ATOM 0 H GLN A 52 13.028 -3.860 -3.329 1.00 0.22 H new ATOM 0 HA GLN A 52 12.403 -4.649 -6.114 1.00 0.23 H new ATOM 0 HB2 GLN A 52 13.204 -5.919 -3.568 1.00 0.32 H new ATOM 0 HB3 GLN A 52 11.851 -6.759 -4.300 1.00 0.32 H new ATOM 0 HG2 GLN A 52 13.123 -6.806 -6.499 1.00 0.99 H new ATOM 0 HG3 GLN A 52 14.492 -6.068 -5.690 1.00 0.99 H new ATOM 0 HE21 GLN A 52 13.625 -7.657 -3.115 1.00 1.70 H new ATOM 0 HE22 GLN A 52 14.280 -9.270 -3.414 1.00 1.70 H new ATOM 742 N ALA A 53 9.935 -5.434 -5.715 1.00 0.22 N ATOM 743 CA ALA A 53 8.459 -5.414 -5.578 1.00 0.20 C ATOM 744 C ALA A 53 7.792 -6.443 -6.465 1.00 0.23 C ATOM 745 O ALA A 53 8.281 -6.769 -7.529 1.00 0.29 O ATOM 746 CB ALA A 53 7.959 -4.029 -5.997 1.00 0.28 C ATOM 0 H ALA A 53 10.307 -6.026 -6.458 1.00 0.22 H new ATOM 0 HA ALA A 53 8.211 -5.644 -4.542 1.00 0.20 H new ATOM 0 HB1 ALA A 53 6.874 -3.991 -5.904 1.00 0.28 H new ATOM 0 HB2 ALA A 53 8.405 -3.271 -5.353 1.00 0.28 H new ATOM 0 HB3 ALA A 53 8.242 -3.838 -7.032 1.00 0.28 H new ATOM 752 N TRP A 54 6.678 -6.938 -6.006 1.00 0.21 N ATOM 753 CA TRP A 54 5.951 -7.944 -6.795 1.00 0.26 C ATOM 754 C TRP A 54 4.460 -7.858 -6.518 1.00 0.23 C ATOM 755 O TRP A 54 4.042 -7.621 -5.390 1.00 0.26 O ATOM 756 CB TRP A 54 6.445 -9.339 -6.408 1.00 0.36 C ATOM 757 CG TRP A 54 5.423 -10.370 -6.888 1.00 0.44 C ATOM 758 CD1 TRP A 54 4.651 -11.086 -6.086 1.00 0.49 C ATOM 759 CD2 TRP A 54 5.171 -10.631 -8.146 1.00 0.48 C ATOM 760 NE1 TRP A 54 3.898 -11.811 -6.936 1.00 0.56 N ATOM 761 CE2 TRP A 54 4.169 -11.575 -8.273 1.00 0.55 C ATOM 762 CE3 TRP A 54 5.754 -10.089 -9.277 1.00 0.49 C ATOM 763 CZ2 TRP A 54 3.751 -11.975 -9.526 1.00 0.61 C ATOM 764 CZ3 TRP A 54 5.334 -10.490 -10.529 1.00 0.56 C ATOM 765 CH2 TRP A 54 4.333 -11.431 -10.654 1.00 0.61 C ATOM 0 H TRP A 54 6.247 -6.684 -5.117 1.00 0.21 H new ATOM 0 HA TRP A 54 6.130 -7.757 -7.854 1.00 0.26 H new ATOM 0 HB2 TRP A 54 7.418 -9.534 -6.858 1.00 0.36 H new ATOM 0 HB3 TRP A 54 6.574 -9.408 -5.328 1.00 0.36 H new ATOM 0 HD1 TRP A 54 4.630 -11.088 -5.006 1.00 0.49 H new ATOM 0 HE1 TRP A 54 3.191 -12.475 -6.622 1.00 0.56 H new ATOM 0 HE3 TRP A 54 6.538 -9.352 -9.180 1.00 0.49 H new ATOM 0 HZ2 TRP A 54 2.969 -12.713 -9.624 1.00 0.61 H new ATOM 0 HZ3 TRP A 54 5.790 -10.067 -11.412 1.00 0.56 H new ATOM 0 HH2 TRP A 54 4.004 -11.742 -11.635 1.00 0.61 H new ATOM 776 N SER A 55 3.676 -8.057 -7.548 1.00 0.24 N ATOM 777 CA SER A 55 2.217 -7.990 -7.367 1.00 0.25 C ATOM 778 C SER A 55 1.820 -6.580 -6.978 1.00 0.25 C ATOM 779 O SER A 55 0.785 -6.359 -6.382 1.00 0.28 O ATOM 780 CB SER A 55 1.819 -8.951 -6.244 1.00 0.26 C ATOM 781 OG SER A 55 0.587 -9.505 -6.679 1.00 1.04 O ATOM 0 H SER A 55 3.992 -8.261 -8.496 1.00 0.24 H new ATOM 0 HA SER A 55 1.715 -8.265 -8.295 1.00 0.25 H new ATOM 0 HB2 SER A 55 2.573 -9.724 -6.096 1.00 0.26 H new ATOM 0 HB3 SER A 55 1.707 -8.429 -5.294 1.00 0.26 H new ATOM 0 HG SER A 55 0.259 -10.141 -6.009 1.00 1.04 H new ATOM 787 N SER A 56 2.663 -5.647 -7.328 1.00 0.24 N ATOM 788 CA SER A 56 2.378 -4.242 -7.000 1.00 0.27 C ATOM 789 C SER A 56 3.379 -3.339 -7.671 1.00 0.26 C ATOM 790 O SER A 56 4.571 -3.479 -7.482 1.00 0.37 O ATOM 791 CB SER A 56 2.509 -4.056 -5.489 1.00 0.32 C ATOM 792 OG SER A 56 3.560 -4.939 -5.125 1.00 1.37 O ATOM 0 H SER A 56 3.537 -5.809 -7.828 1.00 0.24 H new ATOM 0 HA SER A 56 1.373 -3.993 -7.341 1.00 0.27 H new ATOM 0 HB2 SER A 56 2.748 -3.024 -5.233 1.00 0.32 H new ATOM 0 HB3 SER A 56 1.581 -4.306 -4.974 1.00 0.32 H new ATOM 0 HG SER A 56 3.964 -4.638 -4.285 1.00 1.37 H new ATOM 798 N THR A 57 2.892 -2.430 -8.441 1.00 0.20 N ATOM 799 CA THR A 57 3.804 -1.517 -9.125 1.00 0.21 C ATOM 800 C THR A 57 4.120 -0.332 -8.221 1.00 0.22 C ATOM 801 O THR A 57 3.585 0.747 -8.384 1.00 0.26 O ATOM 802 CB THR A 57 3.116 -1.038 -10.392 1.00 0.21 C ATOM 803 OG1 THR A 57 2.428 -2.169 -10.888 1.00 0.24 O ATOM 804 CG2 THR A 57 4.145 -0.712 -11.474 1.00 0.25 C ATOM 0 H THR A 57 1.900 -2.282 -8.624 1.00 0.20 H new ATOM 0 HA THR A 57 4.739 -2.020 -9.370 1.00 0.21 H new ATOM 0 HB THR A 57 2.498 -0.167 -10.175 1.00 0.21 H new ATOM 0 HG1 THR A 57 1.467 -1.978 -10.923 1.00 0.24 H new ATOM 0 HG21 THR A 57 3.632 -0.371 -12.373 1.00 0.25 H new ATOM 0 HG22 THR A 57 4.812 0.073 -11.117 1.00 0.25 H new ATOM 0 HG23 THR A 57 4.726 -1.605 -11.705 1.00 0.25 H new ATOM 812 N VAL A 58 4.993 -0.567 -7.278 1.00 0.20 N ATOM 813 CA VAL A 58 5.378 0.504 -6.337 1.00 0.22 C ATOM 814 C VAL A 58 6.195 1.592 -7.012 1.00 0.24 C ATOM 815 O VAL A 58 6.862 1.358 -8.000 1.00 0.29 O ATOM 816 CB VAL A 58 6.228 -0.133 -5.242 1.00 0.28 C ATOM 817 CG1 VAL A 58 5.449 -1.291 -4.618 1.00 0.36 C ATOM 818 CG2 VAL A 58 7.518 -0.668 -5.862 1.00 0.39 C ATOM 0 H VAL A 58 5.454 -1.464 -7.125 1.00 0.20 H new ATOM 0 HA VAL A 58 4.473 0.966 -5.942 1.00 0.22 H new ATOM 0 HB VAL A 58 6.466 0.605 -4.476 1.00 0.28 H new ATOM 0 HG11 VAL A 58 6.049 -1.753 -3.834 1.00 0.36 H new ATOM 0 HG12 VAL A 58 4.520 -0.915 -4.190 1.00 0.36 H new ATOM 0 HG13 VAL A 58 5.222 -2.032 -5.385 1.00 0.36 H new ATOM 0 HG21 VAL A 58 8.132 -1.125 -5.086 1.00 0.39 H new ATOM 0 HG22 VAL A 58 7.276 -1.413 -6.620 1.00 0.39 H new ATOM 0 HG23 VAL A 58 8.068 0.153 -6.323 1.00 0.39 H new ATOM 828 N THR A 59 6.123 2.769 -6.454 1.00 0.28 N ATOM 829 CA THR A 59 6.877 3.903 -7.025 1.00 0.35 C ATOM 830 C THR A 59 7.178 4.938 -5.946 1.00 0.33 C ATOM 831 O THR A 59 6.276 5.536 -5.389 1.00 0.39 O ATOM 832 CB THR A 59 6.015 4.554 -8.108 1.00 0.39 C ATOM 833 OG1 THR A 59 4.777 4.829 -7.484 1.00 1.54 O ATOM 834 CG2 THR A 59 5.675 3.545 -9.211 1.00 1.27 C ATOM 0 H THR A 59 5.571 2.988 -5.625 1.00 0.28 H new ATOM 0 HA THR A 59 7.818 3.542 -7.440 1.00 0.35 H new ATOM 0 HB THR A 59 6.534 5.417 -8.525 1.00 0.39 H new ATOM 0 HG1 THR A 59 4.906 4.889 -6.514 1.00 1.54 H new ATOM 0 HG21 THR A 59 5.061 4.029 -9.971 1.00 1.27 H new ATOM 0 HG22 THR A 59 6.596 3.180 -9.667 1.00 1.27 H new ATOM 0 HG23 THR A 59 5.126 2.707 -8.781 1.00 1.27 H new ATOM 842 N GLN A 60 8.440 5.124 -5.662 1.00 0.33 N ATOM 843 CA GLN A 60 8.812 6.116 -4.623 1.00 0.34 C ATOM 844 C GLN A 60 9.073 7.474 -5.251 1.00 0.34 C ATOM 845 O GLN A 60 10.019 7.647 -5.994 1.00 0.42 O ATOM 846 CB GLN A 60 10.098 5.641 -3.928 1.00 0.44 C ATOM 847 CG GLN A 60 10.646 6.778 -3.062 1.00 1.04 C ATOM 848 CD GLN A 60 11.841 6.268 -2.254 1.00 1.25 C ATOM 849 OE1 GLN A 60 11.889 6.398 -1.047 1.00 2.00 O ATOM 850 NE2 GLN A 60 12.826 5.683 -2.879 1.00 1.59 N ATOM 0 H GLN A 60 9.219 4.635 -6.102 1.00 0.33 H new ATOM 0 HA GLN A 60 7.994 6.206 -3.909 1.00 0.34 H new ATOM 0 HB2 GLN A 60 9.892 4.765 -3.313 1.00 0.44 H new ATOM 0 HB3 GLN A 60 10.839 5.342 -4.670 1.00 0.44 H new ATOM 0 HG2 GLN A 60 10.948 7.616 -3.690 1.00 1.04 H new ATOM 0 HG3 GLN A 60 9.870 7.146 -2.391 1.00 1.04 H new ATOM 0 HE21 GLN A 60 12.792 5.571 -3.892 1.00 1.59 H new ATOM 0 HE22 GLN A 60 13.630 5.338 -2.354 1.00 1.59 H new ATOM 859 N SER A 61 8.230 8.417 -4.945 1.00 0.34 N ATOM 860 CA SER A 61 8.413 9.766 -5.515 1.00 0.43 C ATOM 861 C SER A 61 9.264 10.635 -4.596 1.00 0.53 C ATOM 862 O SER A 61 8.746 11.394 -3.803 1.00 0.80 O ATOM 863 CB SER A 61 7.030 10.400 -5.663 1.00 0.48 C ATOM 864 OG SER A 61 6.353 10.034 -4.471 1.00 0.49 O ATOM 0 H SER A 61 7.426 8.307 -4.326 1.00 0.34 H new ATOM 0 HA SER A 61 8.920 9.690 -6.477 1.00 0.43 H new ATOM 0 HB2 SER A 61 7.097 11.483 -5.767 1.00 0.48 H new ATOM 0 HB3 SER A 61 6.512 10.026 -6.546 1.00 0.48 H new ATOM 0 HG SER A 61 5.441 10.392 -4.490 1.00 0.49 H new ATOM 870 N GLY A 62 10.560 10.511 -4.725 1.00 0.90 N ATOM 871 CA GLY A 62 11.464 11.326 -3.862 1.00 1.01 C ATOM 872 C GLY A 62 11.462 10.776 -2.436 1.00 1.09 C ATOM 873 O GLY A 62 12.438 10.208 -1.985 1.00 2.04 O ATOM 0 H GLY A 62 11.027 9.887 -5.383 1.00 0.90 H new ATOM 0 HA2 GLY A 62 12.477 11.310 -4.265 1.00 1.01 H new ATOM 0 HA3 GLY A 62 11.138 12.366 -3.860 1.00 1.01 H new ATOM 877 N SER A 63 10.361 10.963 -1.758 1.00 0.38 N ATOM 878 CA SER A 63 10.256 10.466 -0.364 1.00 0.32 C ATOM 879 C SER A 63 8.883 9.858 -0.130 1.00 0.28 C ATOM 880 O SER A 63 8.681 9.094 0.799 1.00 0.33 O ATOM 881 CB SER A 63 10.446 11.652 0.593 1.00 0.35 C ATOM 882 OG SER A 63 11.092 11.085 1.723 1.00 1.45 O ATOM 0 H SER A 63 9.532 11.439 -2.113 1.00 0.38 H new ATOM 0 HA SER A 63 11.018 9.706 -0.189 1.00 0.32 H new ATOM 0 HB2 SER A 63 11.052 12.437 0.140 1.00 0.35 H new ATOM 0 HB3 SER A 63 9.491 12.102 0.864 1.00 0.35 H new ATOM 0 HG SER A 63 11.254 11.783 2.391 1.00 1.45 H new ATOM 888 N ALA A 64 7.955 10.208 -0.979 1.00 0.25 N ATOM 889 CA ALA A 64 6.594 9.662 -0.823 1.00 0.22 C ATOM 890 C ALA A 64 6.482 8.322 -1.532 1.00 0.20 C ATOM 891 O ALA A 64 7.462 7.812 -2.041 1.00 0.22 O ATOM 892 CB ALA A 64 5.598 10.636 -1.445 1.00 0.27 C ATOM 0 H ALA A 64 8.087 10.844 -1.765 1.00 0.25 H new ATOM 0 HA ALA A 64 6.382 9.524 0.237 1.00 0.22 H new ATOM 0 HB1 ALA A 64 4.587 10.242 -1.336 1.00 0.27 H new ATOM 0 HB2 ALA A 64 5.669 11.600 -0.941 1.00 0.27 H new ATOM 0 HB3 ALA A 64 5.825 10.762 -2.503 1.00 0.27 H new ATOM 898 N VAL A 65 5.289 7.775 -1.571 1.00 0.21 N ATOM 899 CA VAL A 65 5.125 6.467 -2.249 1.00 0.21 C ATOM 900 C VAL A 65 3.781 6.316 -2.951 1.00 0.21 C ATOM 901 O VAL A 65 2.841 7.043 -2.700 1.00 0.24 O ATOM 902 CB VAL A 65 5.212 5.387 -1.183 1.00 0.26 C ATOM 903 CG1 VAL A 65 4.749 4.062 -1.779 1.00 0.27 C ATOM 904 CG2 VAL A 65 6.653 5.263 -0.717 1.00 0.35 C ATOM 0 H VAL A 65 4.442 8.175 -1.168 1.00 0.21 H new ATOM 0 HA VAL A 65 5.902 6.388 -3.009 1.00 0.21 H new ATOM 0 HB VAL A 65 4.578 5.646 -0.335 1.00 0.26 H new ATOM 0 HG11 VAL A 65 4.808 3.281 -1.021 1.00 0.27 H new ATOM 0 HG12 VAL A 65 3.719 4.157 -2.122 1.00 0.27 H new ATOM 0 HG13 VAL A 65 5.389 3.799 -2.621 1.00 0.27 H new ATOM 0 HG21 VAL A 65 6.723 4.490 0.048 1.00 0.35 H new ATOM 0 HG22 VAL A 65 7.287 4.995 -1.562 1.00 0.35 H new ATOM 0 HG23 VAL A 65 6.984 6.215 -0.302 1.00 0.35 H new ATOM 914 N THR A 66 3.743 5.348 -3.827 1.00 0.22 N ATOM 915 CA THR A 66 2.510 5.058 -4.600 1.00 0.26 C ATOM 916 C THR A 66 2.588 3.631 -5.138 1.00 0.28 C ATOM 917 O THR A 66 3.665 3.156 -5.445 1.00 0.41 O ATOM 918 CB THR A 66 2.426 6.033 -5.780 1.00 0.31 C ATOM 919 OG1 THR A 66 1.978 7.253 -5.226 1.00 0.39 O ATOM 920 CG2 THR A 66 1.312 5.619 -6.753 1.00 0.44 C ATOM 0 H THR A 66 4.532 4.737 -4.040 1.00 0.22 H new ATOM 0 HA THR A 66 1.633 5.167 -3.962 1.00 0.26 H new ATOM 0 HB THR A 66 3.386 6.074 -6.294 1.00 0.31 H new ATOM 0 HG1 THR A 66 1.016 7.350 -5.384 1.00 0.39 H new ATOM 0 HG21 THR A 66 1.272 6.326 -7.582 1.00 0.44 H new ATOM 0 HG22 THR A 66 1.517 4.620 -7.138 1.00 0.44 H new ATOM 0 HG23 THR A 66 0.355 5.617 -6.231 1.00 0.44 H new ATOM 928 N VAL A 67 1.458 2.963 -5.238 1.00 0.26 N ATOM 929 CA VAL A 67 1.494 1.562 -5.757 1.00 0.27 C ATOM 930 C VAL A 67 0.364 1.268 -6.673 1.00 0.33 C ATOM 931 O VAL A 67 -0.775 1.281 -6.281 1.00 0.63 O ATOM 932 CB VAL A 67 1.414 0.585 -4.585 1.00 0.27 C ATOM 933 CG1 VAL A 67 1.847 -0.797 -5.059 1.00 0.28 C ATOM 934 CG2 VAL A 67 2.359 1.053 -3.494 1.00 0.28 C ATOM 0 H VAL A 67 0.536 3.320 -4.988 1.00 0.26 H new ATOM 0 HA VAL A 67 2.427 1.451 -6.310 1.00 0.27 H new ATOM 0 HB VAL A 67 0.394 0.541 -4.203 1.00 0.27 H new ATOM 0 HG11 VAL A 67 1.793 -1.500 -4.228 1.00 0.28 H new ATOM 0 HG12 VAL A 67 1.187 -1.130 -5.860 1.00 0.28 H new ATOM 0 HG13 VAL A 67 2.871 -0.750 -5.429 1.00 0.28 H new ATOM 0 HG21 VAL A 67 2.311 0.364 -2.651 1.00 0.28 H new ATOM 0 HG22 VAL A 67 3.377 1.082 -3.882 1.00 0.28 H new ATOM 0 HG23 VAL A 67 2.068 2.050 -3.164 1.00 0.28 H new ATOM 944 N ARG A 68 0.713 0.975 -7.881 1.00 0.21 N ATOM 945 CA ARG A 68 -0.314 0.660 -8.887 1.00 0.21 C ATOM 946 C ARG A 68 -0.409 -0.851 -9.022 1.00 0.19 C ATOM 947 O ARG A 68 0.317 -1.465 -9.780 1.00 0.20 O ATOM 948 CB ARG A 68 0.092 1.293 -10.241 1.00 0.24 C ATOM 949 CG ARG A 68 1.067 2.449 -9.990 1.00 0.28 C ATOM 950 CD ARG A 68 0.865 3.519 -11.065 1.00 0.33 C ATOM 951 NE ARG A 68 1.229 2.950 -12.394 1.00 0.69 N ATOM 952 CZ ARG A 68 0.995 3.645 -13.475 1.00 1.20 C ATOM 953 NH1 ARG A 68 1.298 4.915 -13.487 1.00 1.75 N ATOM 954 NH2 ARG A 68 0.465 3.047 -14.508 1.00 2.07 N ATOM 0 H ARG A 68 1.675 0.940 -8.217 1.00 0.21 H new ATOM 0 HA ARG A 68 -1.282 1.061 -8.586 1.00 0.21 H new ATOM 0 HB2 ARG A 68 0.557 0.543 -10.881 1.00 0.24 H new ATOM 0 HB3 ARG A 68 -0.792 1.656 -10.765 1.00 0.24 H new ATOM 0 HG2 ARG A 68 0.899 2.874 -9.000 1.00 0.28 H new ATOM 0 HG3 ARG A 68 2.094 2.085 -10.010 1.00 0.28 H new ATOM 0 HD2 ARG A 68 -0.172 3.855 -11.071 1.00 0.33 H new ATOM 0 HD3 ARG A 68 1.481 4.391 -10.848 1.00 0.33 H new ATOM 0 HE ARG A 68 1.657 2.026 -12.459 1.00 0.69 H new ATOM 0 HH11 ARG A 68 1.710 5.349 -12.661 1.00 1.75 H new ATOM 0 HH12 ARG A 68 1.122 5.473 -14.322 1.00 1.75 H new ATOM 0 HH21 ARG A 68 0.241 2.053 -14.462 1.00 2.07 H new ATOM 0 HH22 ARG A 68 0.275 3.574 -15.360 1.00 2.07 H new ATOM 968 N ASN A 69 -1.297 -1.433 -8.269 1.00 0.17 N ATOM 969 CA ASN A 69 -1.446 -2.889 -8.338 1.00 0.16 C ATOM 970 C ASN A 69 -2.123 -3.313 -9.622 1.00 0.17 C ATOM 971 O ASN A 69 -3.238 -2.892 -9.928 1.00 0.18 O ATOM 972 CB ASN A 69 -2.283 -3.348 -7.148 1.00 0.16 C ATOM 973 CG ASN A 69 -3.718 -2.947 -7.381 1.00 0.24 C ATOM 974 OD1 ASN A 69 -4.001 -1.829 -7.711 1.00 1.14 O ATOM 975 ND2 ASN A 69 -4.652 -3.831 -7.236 1.00 1.07 N ATOM 0 H ASN A 69 -1.918 -0.956 -7.615 1.00 0.17 H new ATOM 0 HA ASN A 69 -0.456 -3.345 -8.314 1.00 0.16 H new ATOM 0 HB2 ASN A 69 -2.208 -4.429 -7.028 1.00 0.16 H new ATOM 0 HB3 ASN A 69 -1.910 -2.898 -6.228 1.00 0.16 H new ATOM 0 HD21 ASN A 69 -5.626 -3.576 -7.402 1.00 1.07 H new ATOM 0 HD22 ASN A 69 -4.415 -4.782 -6.956 1.00 1.07 H new ATOM 982 N ALA A 70 -1.417 -4.125 -10.358 1.00 0.18 N ATOM 983 CA ALA A 70 -1.945 -4.629 -11.644 1.00 0.20 C ATOM 984 C ALA A 70 -3.405 -5.092 -11.514 1.00 0.19 C ATOM 985 O ALA A 70 -3.910 -5.276 -10.425 1.00 0.16 O ATOM 986 CB ALA A 70 -1.091 -5.829 -12.053 1.00 0.23 C ATOM 0 H ALA A 70 -0.485 -4.462 -10.115 1.00 0.18 H new ATOM 0 HA ALA A 70 -1.908 -3.828 -12.382 1.00 0.20 H new ATOM 0 HB1 ALA A 70 -1.453 -6.227 -13.001 1.00 0.23 H new ATOM 0 HB2 ALA A 70 -0.053 -5.516 -12.164 1.00 0.23 H new ATOM 0 HB3 ALA A 70 -1.157 -6.601 -11.286 1.00 0.23 H new ATOM 992 N PRO A 71 -4.053 -5.272 -12.656 1.00 0.26 N ATOM 993 CA PRO A 71 -5.450 -5.712 -12.694 1.00 0.30 C ATOM 994 C PRO A 71 -5.625 -7.151 -12.199 1.00 0.31 C ATOM 995 O PRO A 71 -6.588 -7.461 -11.529 1.00 0.32 O ATOM 996 CB PRO A 71 -5.843 -5.649 -14.185 1.00 0.37 C ATOM 997 CG PRO A 71 -4.552 -5.318 -14.992 1.00 0.40 C ATOM 998 CD PRO A 71 -3.442 -5.019 -13.972 1.00 0.34 C ATOM 0 HA PRO A 71 -6.063 -5.085 -12.047 1.00 0.30 H new ATOM 0 HB2 PRO A 71 -6.267 -6.599 -14.511 1.00 0.37 H new ATOM 0 HB3 PRO A 71 -6.605 -4.887 -14.350 1.00 0.37 H new ATOM 0 HG2 PRO A 71 -4.272 -6.156 -15.630 1.00 0.40 H new ATOM 0 HG3 PRO A 71 -4.716 -4.461 -15.645 1.00 0.40 H new ATOM 0 HD2 PRO A 71 -2.575 -5.659 -14.134 1.00 0.34 H new ATOM 0 HD3 PRO A 71 -3.097 -3.988 -14.055 1.00 0.34 H new ATOM 1006 N TRP A 72 -4.691 -8.003 -12.534 1.00 0.32 N ATOM 1007 CA TRP A 72 -4.808 -9.417 -12.085 1.00 0.37 C ATOM 1008 C TRP A 72 -4.613 -9.535 -10.581 1.00 0.34 C ATOM 1009 O TRP A 72 -5.437 -10.103 -9.892 1.00 0.37 O ATOM 1010 CB TRP A 72 -3.734 -10.260 -12.800 1.00 0.42 C ATOM 1011 CG TRP A 72 -2.529 -9.378 -13.153 1.00 0.37 C ATOM 1012 CD1 TRP A 72 -2.510 -8.520 -14.162 1.00 0.36 C ATOM 1013 CD2 TRP A 72 -1.378 -9.383 -12.512 1.00 0.38 C ATOM 1014 NE1 TRP A 72 -1.275 -7.992 -14.110 1.00 0.36 N ATOM 1015 CE2 TRP A 72 -0.490 -8.488 -13.086 1.00 0.38 C ATOM 1016 CE3 TRP A 72 -0.981 -10.119 -11.405 1.00 0.46 C ATOM 1017 CZ2 TRP A 72 0.773 -8.328 -12.562 1.00 0.44 C ATOM 1018 CZ3 TRP A 72 0.287 -9.956 -10.885 1.00 0.52 C ATOM 1019 CH2 TRP A 72 1.163 -9.061 -11.463 1.00 0.51 C ATOM 0 H TRP A 72 -3.865 -7.783 -13.091 1.00 0.32 H new ATOM 0 HA TRP A 72 -5.807 -9.777 -12.332 1.00 0.37 H new ATOM 0 HB2 TRP A 72 -3.418 -11.083 -12.159 1.00 0.42 H new ATOM 0 HB3 TRP A 72 -4.150 -10.703 -13.705 1.00 0.42 H new ATOM 0 HD1 TRP A 72 -3.301 -8.297 -14.862 1.00 0.36 H new ATOM 0 HE1 TRP A 72 -0.946 -7.287 -14.769 1.00 0.36 H new ATOM 0 HE3 TRP A 72 -1.665 -10.820 -10.950 1.00 0.46 H new ATOM 0 HZ2 TRP A 72 1.459 -7.627 -13.013 1.00 0.44 H new ATOM 0 HZ3 TRP A 72 0.594 -10.531 -10.024 1.00 0.52 H new ATOM 0 HH2 TRP A 72 2.155 -8.935 -11.054 1.00 0.51 H new ATOM 1030 N ASN A 73 -3.532 -9.003 -10.093 1.00 0.32 N ATOM 1031 CA ASN A 73 -3.286 -9.084 -8.638 1.00 0.34 C ATOM 1032 C ASN A 73 -4.115 -8.042 -7.916 1.00 0.31 C ATOM 1033 O ASN A 73 -3.864 -7.722 -6.770 1.00 0.46 O ATOM 1034 CB ASN A 73 -1.800 -8.807 -8.377 1.00 0.35 C ATOM 1035 CG ASN A 73 -1.334 -7.654 -9.264 1.00 0.57 C ATOM 1036 OD1 ASN A 73 -0.226 -7.649 -9.760 1.00 1.42 O ATOM 1037 ND2 ASN A 73 -2.147 -6.658 -9.487 1.00 0.96 N ATOM 0 H ASN A 73 -2.816 -8.520 -10.636 1.00 0.32 H new ATOM 0 HA ASN A 73 -3.560 -10.075 -8.276 1.00 0.34 H new ATOM 0 HB2 ASN A 73 -1.644 -8.558 -7.327 1.00 0.35 H new ATOM 0 HB3 ASN A 73 -1.211 -9.700 -8.584 1.00 0.35 H new ATOM 0 HD21 ASN A 73 -1.851 -5.880 -10.076 1.00 0.96 H new ATOM 0 HD22 ASN A 73 -3.079 -6.658 -9.072 1.00 0.96 H new ATOM 1044 N GLY A 74 -5.097 -7.530 -8.605 1.00 0.25 N ATOM 1045 CA GLY A 74 -5.969 -6.500 -7.986 1.00 0.24 C ATOM 1046 C GLY A 74 -7.410 -6.654 -8.467 1.00 0.24 C ATOM 1047 O GLY A 74 -8.104 -5.678 -8.647 1.00 0.40 O ATOM 0 H GLY A 74 -5.331 -7.781 -9.566 1.00 0.25 H new ATOM 0 HA2 GLY A 74 -5.931 -6.589 -6.900 1.00 0.24 H new ATOM 0 HA3 GLY A 74 -5.601 -5.505 -8.237 1.00 0.24 H new ATOM 1051 N SER A 75 -7.826 -7.880 -8.665 1.00 0.23 N ATOM 1052 CA SER A 75 -9.214 -8.122 -9.132 1.00 0.26 C ATOM 1053 C SER A 75 -10.091 -8.623 -7.992 1.00 0.30 C ATOM 1054 O SER A 75 -10.649 -9.701 -8.067 1.00 0.44 O ATOM 1055 CB SER A 75 -9.172 -9.191 -10.230 1.00 0.33 C ATOM 1056 OG SER A 75 -8.790 -8.476 -11.395 1.00 1.40 O ATOM 0 H SER A 75 -7.262 -8.718 -8.522 1.00 0.23 H new ATOM 0 HA SER A 75 -9.632 -7.188 -9.507 1.00 0.26 H new ATOM 0 HB2 SER A 75 -8.456 -9.978 -9.993 1.00 0.33 H new ATOM 0 HB3 SER A 75 -10.143 -9.670 -10.357 1.00 0.33 H new ATOM 0 HG SER A 75 -7.813 -8.478 -11.475 1.00 1.40 H new ATOM 1062 N ILE A 76 -10.196 -7.822 -6.956 1.00 0.28 N ATOM 1063 CA ILE A 76 -11.030 -8.220 -5.791 1.00 0.34 C ATOM 1064 C ILE A 76 -12.345 -7.398 -5.721 1.00 0.33 C ATOM 1065 O ILE A 76 -12.342 -6.203 -5.934 1.00 0.35 O ATOM 1066 CB ILE A 76 -10.194 -7.990 -4.506 1.00 0.37 C ATOM 1067 CG1 ILE A 76 -11.090 -7.573 -3.318 1.00 0.46 C ATOM 1068 CG2 ILE A 76 -9.120 -6.908 -4.762 1.00 0.34 C ATOM 1069 CD1 ILE A 76 -11.219 -6.026 -3.228 1.00 0.44 C ATOM 0 H ILE A 76 -9.739 -6.914 -6.873 1.00 0.28 H new ATOM 0 HA ILE A 76 -11.311 -9.268 -5.891 1.00 0.34 H new ATOM 0 HB ILE A 76 -9.708 -8.931 -4.247 1.00 0.37 H new ATOM 0 HG12 ILE A 76 -12.079 -8.017 -3.431 1.00 0.46 H new ATOM 0 HG13 ILE A 76 -10.671 -7.960 -2.389 1.00 0.46 H new ATOM 0 HG21 ILE A 76 -8.537 -6.752 -3.854 1.00 0.34 H new ATOM 0 HG22 ILE A 76 -8.460 -7.234 -5.566 1.00 0.34 H new ATOM 0 HG23 ILE A 76 -9.605 -5.974 -5.046 1.00 0.34 H new ATOM 0 HD11 ILE A 76 -11.855 -5.762 -2.383 1.00 0.44 H new ATOM 0 HD12 ILE A 76 -10.231 -5.586 -3.090 1.00 0.44 H new ATOM 0 HD13 ILE A 76 -11.661 -5.644 -4.148 1.00 0.44 H new ATOM 1081 N PRO A 77 -13.472 -8.083 -5.467 1.00 0.40 N ATOM 1082 CA PRO A 77 -14.768 -7.409 -5.374 1.00 0.43 C ATOM 1083 C PRO A 77 -14.835 -6.544 -4.119 1.00 0.38 C ATOM 1084 O PRO A 77 -14.205 -6.849 -3.135 1.00 0.51 O ATOM 1085 CB PRO A 77 -15.802 -8.548 -5.255 1.00 0.57 C ATOM 1086 CG PRO A 77 -15.007 -9.876 -5.081 1.00 0.64 C ATOM 1087 CD PRO A 77 -13.524 -9.549 -5.315 1.00 0.51 C ATOM 0 HA PRO A 77 -14.944 -6.761 -6.232 1.00 0.43 H new ATOM 0 HB2 PRO A 77 -16.462 -8.381 -4.404 1.00 0.57 H new ATOM 0 HB3 PRO A 77 -16.432 -8.590 -6.144 1.00 0.57 H new ATOM 0 HG2 PRO A 77 -15.158 -10.287 -4.083 1.00 0.64 H new ATOM 0 HG3 PRO A 77 -15.352 -10.628 -5.791 1.00 0.64 H new ATOM 0 HD2 PRO A 77 -12.911 -9.880 -4.477 1.00 0.51 H new ATOM 0 HD3 PRO A 77 -13.146 -10.051 -6.205 1.00 0.51 H new ATOM 1095 N ALA A 78 -15.604 -5.486 -4.183 1.00 0.41 N ATOM 1096 CA ALA A 78 -15.734 -4.580 -3.007 1.00 0.44 C ATOM 1097 C ALA A 78 -15.738 -5.319 -1.671 1.00 0.36 C ATOM 1098 O ALA A 78 -15.489 -4.723 -0.655 1.00 0.68 O ATOM 1099 CB ALA A 78 -17.056 -3.845 -3.130 1.00 0.67 C ATOM 0 H ALA A 78 -16.147 -5.212 -5.002 1.00 0.41 H new ATOM 0 HA ALA A 78 -14.871 -3.914 -3.012 1.00 0.44 H new ATOM 0 HB1 ALA A 78 -17.179 -3.173 -2.281 1.00 0.67 H new ATOM 0 HB2 ALA A 78 -17.067 -3.268 -4.054 1.00 0.67 H new ATOM 0 HB3 ALA A 78 -17.873 -4.566 -3.143 1.00 0.67 H new ATOM 1105 N GLY A 79 -16.032 -6.590 -1.695 1.00 0.40 N ATOM 1106 CA GLY A 79 -16.055 -7.373 -0.422 1.00 0.40 C ATOM 1107 C GLY A 79 -14.937 -8.400 -0.437 1.00 0.36 C ATOM 1108 O GLY A 79 -15.183 -9.589 -0.490 1.00 0.43 O ATOM 0 H GLY A 79 -16.257 -7.121 -2.537 1.00 0.40 H new ATOM 0 HA2 GLY A 79 -15.937 -6.704 0.431 1.00 0.40 H new ATOM 0 HA3 GLY A 79 -17.018 -7.870 -0.306 1.00 0.40 H new ATOM 1112 N GLY A 80 -13.723 -7.926 -0.389 1.00 0.30 N ATOM 1113 CA GLY A 80 -12.578 -8.885 -0.403 1.00 0.31 C ATOM 1114 C GLY A 80 -11.264 -8.178 -0.090 1.00 0.28 C ATOM 1115 O GLY A 80 -11.256 -7.073 0.414 1.00 0.29 O ATOM 0 H GLY A 80 -13.475 -6.938 -0.342 1.00 0.30 H new ATOM 0 HA2 GLY A 80 -12.752 -9.675 0.328 1.00 0.31 H new ATOM 0 HA3 GLY A 80 -12.513 -9.364 -1.380 1.00 0.31 H new ATOM 1119 N THR A 81 -10.169 -8.834 -0.416 1.00 0.27 N ATOM 1120 CA THR A 81 -8.840 -8.226 -0.149 1.00 0.25 C ATOM 1121 C THR A 81 -7.848 -8.497 -1.269 1.00 0.25 C ATOM 1122 O THR A 81 -8.080 -9.311 -2.140 1.00 0.28 O ATOM 1123 CB THR A 81 -8.267 -8.872 1.114 1.00 0.30 C ATOM 1124 OG1 THR A 81 -8.680 -10.222 1.061 1.00 0.34 O ATOM 1125 CG2 THR A 81 -8.929 -8.322 2.372 1.00 0.35 C ATOM 0 H THR A 81 -10.148 -9.756 -0.851 1.00 0.27 H new ATOM 0 HA THR A 81 -8.981 -7.150 -0.052 1.00 0.25 H new ATOM 0 HB THR A 81 -7.191 -8.703 1.151 1.00 0.30 H new ATOM 0 HG1 THR A 81 -8.342 -10.699 1.848 1.00 0.34 H new ATOM 0 HG21 THR A 81 -8.498 -8.803 3.250 1.00 0.35 H new ATOM 0 HG22 THR A 81 -8.764 -7.246 2.430 1.00 0.35 H new ATOM 0 HG23 THR A 81 -10.000 -8.523 2.337 1.00 0.35 H new ATOM 1133 N ALA A 82 -6.753 -7.791 -1.206 1.00 0.25 N ATOM 1134 CA ALA A 82 -5.689 -7.947 -2.221 1.00 0.27 C ATOM 1135 C ALA A 82 -4.374 -8.110 -1.485 1.00 0.36 C ATOM 1136 O ALA A 82 -4.357 -8.089 -0.271 1.00 0.84 O ATOM 1137 CB ALA A 82 -5.635 -6.682 -3.094 1.00 0.27 C ATOM 0 H ALA A 82 -6.553 -7.103 -0.480 1.00 0.25 H new ATOM 0 HA ALA A 82 -5.882 -8.811 -2.857 1.00 0.27 H new ATOM 0 HB1 ALA A 82 -4.852 -6.791 -3.845 1.00 0.27 H new ATOM 0 HB2 ALA A 82 -6.596 -6.541 -3.589 1.00 0.27 H new ATOM 0 HB3 ALA A 82 -5.419 -5.817 -2.468 1.00 0.27 H new ATOM 1143 N GLN A 83 -3.292 -8.266 -2.186 1.00 0.28 N ATOM 1144 CA GLN A 83 -2.023 -8.425 -1.441 1.00 0.24 C ATOM 1145 C GLN A 83 -0.796 -8.297 -2.319 1.00 0.23 C ATOM 1146 O GLN A 83 -0.768 -8.760 -3.442 1.00 0.29 O ATOM 1147 CB GLN A 83 -2.026 -9.826 -0.799 1.00 0.34 C ATOM 1148 CG GLN A 83 -0.752 -10.016 0.033 1.00 0.92 C ATOM 1149 CD GLN A 83 -0.138 -11.381 -0.287 1.00 1.59 C ATOM 1150 OE1 GLN A 83 0.513 -11.560 -1.297 1.00 2.15 O ATOM 1151 NE2 GLN A 83 -0.320 -12.369 0.546 1.00 2.23 N ATOM 0 H GLN A 83 -3.230 -8.290 -3.204 1.00 0.28 H new ATOM 0 HA GLN A 83 -1.969 -7.628 -0.700 1.00 0.24 H new ATOM 0 HB2 GLN A 83 -2.906 -9.945 -0.167 1.00 0.34 H new ATOM 0 HB3 GLN A 83 -2.084 -10.591 -1.573 1.00 0.34 H new ATOM 0 HG2 GLN A 83 -0.038 -9.222 -0.188 1.00 0.92 H new ATOM 0 HG3 GLN A 83 -0.985 -9.949 1.096 1.00 0.92 H new ATOM 0 HE21 GLN A 83 -0.865 -12.226 1.396 1.00 2.23 H new ATOM 0 HE22 GLN A 83 0.083 -13.285 0.347 1.00 2.23 H new ATOM 1160 N PHE A 84 0.204 -7.658 -1.772 1.00 0.20 N ATOM 1161 CA PHE A 84 1.460 -7.471 -2.524 1.00 0.23 C ATOM 1162 C PHE A 84 2.618 -7.323 -1.557 1.00 0.25 C ATOM 1163 O PHE A 84 2.412 -7.231 -0.363 1.00 0.30 O ATOM 1164 CB PHE A 84 1.343 -6.214 -3.393 1.00 0.27 C ATOM 1165 CG PHE A 84 1.630 -4.952 -2.557 1.00 0.25 C ATOM 1166 CD1 PHE A 84 2.925 -4.468 -2.424 1.00 1.17 C ATOM 1167 CD2 PHE A 84 0.592 -4.254 -1.957 1.00 1.24 C ATOM 1168 CE1 PHE A 84 3.169 -3.309 -1.707 1.00 1.17 C ATOM 1169 CE2 PHE A 84 0.845 -3.097 -1.242 1.00 1.23 C ATOM 1170 CZ PHE A 84 2.131 -2.628 -1.118 1.00 0.27 C ATOM 0 H PHE A 84 0.196 -7.259 -0.833 1.00 0.20 H new ATOM 0 HA PHE A 84 1.639 -8.338 -3.160 1.00 0.23 H new ATOM 0 HB2 PHE A 84 2.044 -6.273 -4.225 1.00 0.27 H new ATOM 0 HB3 PHE A 84 0.343 -6.153 -3.823 1.00 0.27 H new ATOM 0 HD1 PHE A 84 3.746 -4.999 -2.882 1.00 1.17 H new ATOM 0 HD2 PHE A 84 -0.421 -4.617 -2.049 1.00 1.24 H new ATOM 0 HE1 PHE A 84 4.179 -2.939 -1.610 1.00 1.17 H new ATOM 0 HE2 PHE A 84 0.029 -2.561 -0.780 1.00 1.23 H new ATOM 0 HZ PHE A 84 2.325 -1.725 -0.558 1.00 0.27 H new ATOM 1180 N GLY A 85 3.818 -7.299 -2.065 1.00 0.24 N ATOM 1181 CA GLY A 85 4.971 -7.157 -1.129 1.00 0.27 C ATOM 1182 C GLY A 85 6.192 -6.549 -1.811 1.00 0.24 C ATOM 1183 O GLY A 85 6.292 -6.525 -3.022 1.00 0.28 O ATOM 0 H GLY A 85 4.049 -7.369 -3.056 1.00 0.24 H new ATOM 0 HA2 GLY A 85 4.678 -6.531 -0.286 1.00 0.27 H new ATOM 0 HA3 GLY A 85 5.232 -8.135 -0.725 1.00 0.27 H new ATOM 1187 N PHE A 86 7.104 -6.064 -1.000 1.00 0.22 N ATOM 1188 CA PHE A 86 8.332 -5.448 -1.557 1.00 0.21 C ATOM 1189 C PHE A 86 9.473 -5.482 -0.544 1.00 0.21 C ATOM 1190 O PHE A 86 9.288 -5.885 0.588 1.00 0.31 O ATOM 1191 CB PHE A 86 8.022 -3.982 -1.898 1.00 0.22 C ATOM 1192 CG PHE A 86 7.361 -3.307 -0.697 1.00 0.21 C ATOM 1193 CD1 PHE A 86 6.087 -3.667 -0.301 1.00 1.21 C ATOM 1194 CD2 PHE A 86 8.028 -2.319 0.004 1.00 1.20 C ATOM 1195 CE1 PHE A 86 5.491 -3.050 0.775 1.00 1.20 C ATOM 1196 CE2 PHE A 86 7.427 -1.703 1.080 1.00 1.21 C ATOM 1197 CZ PHE A 86 6.157 -2.071 1.464 1.00 0.20 C ATOM 0 H PHE A 86 7.044 -6.072 0.018 1.00 0.22 H new ATOM 0 HA PHE A 86 8.638 -6.007 -2.442 1.00 0.21 H new ATOM 0 HB2 PHE A 86 8.940 -3.458 -2.163 1.00 0.22 H new ATOM 0 HB3 PHE A 86 7.364 -3.931 -2.765 1.00 0.22 H new ATOM 0 HD1 PHE A 86 5.556 -4.438 -0.840 1.00 1.21 H new ATOM 0 HD2 PHE A 86 9.025 -2.029 -0.293 1.00 1.20 H new ATOM 0 HE1 PHE A 86 4.495 -3.338 1.077 1.00 1.20 H new ATOM 0 HE2 PHE A 86 7.952 -0.931 1.623 1.00 1.21 H new ATOM 0 HZ PHE A 86 5.686 -1.588 2.308 1.00 0.20 H new ATOM 1207 N ASN A 87 10.636 -5.055 -0.981 1.00 0.27 N ATOM 1208 CA ASN A 87 11.821 -5.044 -0.073 1.00 0.26 C ATOM 1209 C ASN A 87 12.458 -3.673 -0.050 1.00 0.26 C ATOM 1210 O ASN A 87 13.052 -3.246 -1.027 1.00 0.28 O ATOM 1211 CB ASN A 87 12.846 -6.060 -0.594 1.00 0.29 C ATOM 1212 CG ASN A 87 12.116 -7.327 -1.045 1.00 0.48 C ATOM 1213 OD1 ASN A 87 11.474 -7.354 -2.076 1.00 1.32 O ATOM 1214 ND2 ASN A 87 12.186 -8.398 -0.302 1.00 1.17 N ATOM 0 H ASN A 87 10.812 -4.715 -1.926 1.00 0.27 H new ATOM 0 HA ASN A 87 11.501 -5.301 0.937 1.00 0.26 H new ATOM 0 HB2 ASN A 87 13.407 -5.634 -1.426 1.00 0.29 H new ATOM 0 HB3 ASN A 87 13.567 -6.300 0.187 1.00 0.29 H new ATOM 0 HD21 ASN A 87 11.704 -9.250 -0.588 1.00 1.17 H new ATOM 0 HD22 ASN A 87 12.723 -8.383 0.565 1.00 1.17 H new ATOM 1221 N GLY A 88 12.313 -3.001 1.071 1.00 0.26 N ATOM 1222 CA GLY A 88 12.906 -1.630 1.201 1.00 0.30 C ATOM 1223 C GLY A 88 13.937 -1.572 2.326 1.00 0.40 C ATOM 1224 O GLY A 88 13.922 -2.382 3.231 1.00 0.58 O ATOM 0 H GLY A 88 11.814 -3.340 1.894 1.00 0.26 H new ATOM 0 HA2 GLY A 88 13.376 -1.345 0.260 1.00 0.30 H new ATOM 0 HA3 GLY A 88 12.114 -0.906 1.394 1.00 0.30 H new ATOM 1228 N SER A 89 14.816 -0.598 2.235 1.00 0.39 N ATOM 1229 CA SER A 89 15.866 -0.441 3.270 1.00 0.50 C ATOM 1230 C SER A 89 15.567 0.759 4.155 1.00 0.56 C ATOM 1231 O SER A 89 14.940 1.713 3.725 1.00 0.64 O ATOM 1232 CB SER A 89 17.211 -0.209 2.566 1.00 0.66 C ATOM 1233 OG SER A 89 17.041 1.028 1.889 1.00 0.81 O ATOM 0 H SER A 89 14.843 0.091 1.483 1.00 0.39 H new ATOM 0 HA SER A 89 15.897 -1.338 3.888 1.00 0.50 H new ATOM 0 HB2 SER A 89 18.032 -0.162 3.281 1.00 0.66 H new ATOM 0 HB3 SER A 89 17.441 -1.016 1.870 1.00 0.66 H new ATOM 0 HG SER A 89 17.308 0.927 0.951 1.00 0.81 H new ATOM 1239 N HIS A 90 16.020 0.693 5.376 1.00 0.61 N ATOM 1240 CA HIS A 90 15.773 1.823 6.308 1.00 0.75 C ATOM 1241 C HIS A 90 16.938 2.006 7.268 1.00 0.71 C ATOM 1242 O HIS A 90 18.044 1.576 7.000 1.00 0.80 O ATOM 1243 CB HIS A 90 14.521 1.502 7.129 1.00 0.86 C ATOM 1244 CG HIS A 90 14.829 0.328 8.060 1.00 0.76 C ATOM 1245 ND1 HIS A 90 15.790 0.280 8.854 1.00 0.79 N ATOM 1246 CD2 HIS A 90 14.165 -0.870 8.214 1.00 1.00 C ATOM 1247 CE1 HIS A 90 15.812 -0.814 9.492 1.00 1.02 C ATOM 1248 NE2 HIS A 90 14.808 -1.620 9.151 1.00 1.24 N ATOM 0 H HIS A 90 16.547 -0.089 5.765 1.00 0.61 H new ATOM 0 HA HIS A 90 15.650 2.737 5.727 1.00 0.75 H new ATOM 0 HB2 HIS A 90 14.216 2.373 7.709 1.00 0.86 H new ATOM 0 HB3 HIS A 90 13.691 1.252 6.469 1.00 0.86 H new ATOM 0 HD2 HIS A 90 13.276 -1.167 7.677 1.00 1.00 H new ATOM 0 HE1 HIS A 90 16.560 -1.065 10.229 1.00 1.02 H new ATOM 0 HE2 HIS A 90 14.581 -2.551 9.499 1.00 1.24 H new ATOM 1256 N THR A 91 16.661 2.646 8.378 1.00 0.88 N ATOM 1257 CA THR A 91 17.725 2.880 9.387 1.00 0.98 C ATOM 1258 C THR A 91 17.195 2.616 10.793 1.00 1.52 C ATOM 1259 O THR A 91 17.891 2.813 11.770 1.00 2.02 O ATOM 1260 CB THR A 91 18.165 4.346 9.296 1.00 1.20 C ATOM 1261 OG1 THR A 91 16.969 5.097 9.339 1.00 1.87 O ATOM 1262 CG2 THR A 91 18.766 4.659 7.915 1.00 0.97 C ATOM 0 H THR A 91 15.742 3.014 8.623 1.00 0.88 H new ATOM 0 HA THR A 91 18.560 2.208 9.191 1.00 0.98 H new ATOM 0 HB THR A 91 18.888 4.561 10.083 1.00 1.20 H new ATOM 0 HG1 THR A 91 17.181 6.052 9.286 1.00 1.87 H new ATOM 0 HG21 THR A 91 19.069 5.705 7.879 1.00 0.97 H new ATOM 0 HG22 THR A 91 19.635 4.023 7.744 1.00 0.97 H new ATOM 0 HG23 THR A 91 18.020 4.470 7.143 1.00 0.97 H new ATOM 1270 N GLY A 92 15.964 2.174 10.869 1.00 1.59 N ATOM 1271 CA GLY A 92 15.362 1.888 12.206 1.00 2.24 C ATOM 1272 C GLY A 92 14.494 3.065 12.664 1.00 1.55 C ATOM 1273 O GLY A 92 14.927 3.891 13.443 1.00 1.30 O ATOM 0 H GLY A 92 15.355 2.000 10.070 1.00 1.59 H new ATOM 0 HA2 GLY A 92 14.759 0.982 12.154 1.00 2.24 H new ATOM 0 HA3 GLY A 92 16.151 1.704 12.935 1.00 2.24 H new ATOM 1277 N THR A 93 13.282 3.114 12.172 1.00 1.48 N ATOM 1278 CA THR A 93 12.380 4.227 12.569 1.00 1.03 C ATOM 1279 C THR A 93 10.917 3.874 12.292 1.00 1.02 C ATOM 1280 O THR A 93 10.519 2.733 12.419 1.00 1.73 O ATOM 1281 CB THR A 93 12.758 5.458 11.745 1.00 1.30 C ATOM 1282 OG1 THR A 93 14.143 5.638 11.954 1.00 1.71 O ATOM 1283 CG2 THR A 93 12.112 6.726 12.322 1.00 1.45 C ATOM 0 H THR A 93 12.885 2.438 11.520 1.00 1.48 H new ATOM 0 HA THR A 93 12.490 4.415 13.637 1.00 1.03 H new ATOM 0 HB THR A 93 12.453 5.314 10.709 1.00 1.30 H new ATOM 0 HG1 THR A 93 14.376 5.354 12.862 1.00 1.71 H new ATOM 0 HG21 THR A 93 12.397 7.587 11.717 1.00 1.45 H new ATOM 0 HG22 THR A 93 11.027 6.619 12.312 1.00 1.45 H new ATOM 0 HG23 THR A 93 12.452 6.874 13.347 1.00 1.45 H new ATOM 1291 N ASN A 94 10.143 4.868 11.915 1.00 0.77 N ATOM 1292 CA ASN A 94 8.702 4.616 11.625 1.00 0.93 C ATOM 1293 C ASN A 94 8.451 4.519 10.123 1.00 0.64 C ATOM 1294 O ASN A 94 8.902 5.356 9.360 1.00 0.65 O ATOM 1295 CB ASN A 94 7.886 5.791 12.184 1.00 1.43 C ATOM 1296 CG ASN A 94 8.808 6.993 12.393 1.00 1.53 C ATOM 1297 OD1 ASN A 94 9.247 7.269 13.491 1.00 2.16 O ATOM 1298 ND2 ASN A 94 9.125 7.734 11.366 1.00 1.83 N ATOM 0 H ASN A 94 10.449 5.834 11.798 1.00 0.77 H new ATOM 0 HA ASN A 94 8.409 3.673 12.086 1.00 0.93 H new ATOM 0 HB2 ASN A 94 7.082 6.050 11.495 1.00 1.43 H new ATOM 0 HB3 ASN A 94 7.419 5.508 13.127 1.00 1.43 H new ATOM 0 HD21 ASN A 94 9.738 8.540 11.488 1.00 1.83 H new ATOM 0 HD22 ASN A 94 8.759 7.507 10.441 1.00 1.83 H new ATOM 1305 N ALA A 95 7.729 3.492 9.733 1.00 0.72 N ATOM 1306 CA ALA A 95 7.423 3.298 8.293 1.00 0.75 C ATOM 1307 C ALA A 95 5.943 3.541 8.004 1.00 0.68 C ATOM 1308 O ALA A 95 5.486 4.667 7.980 1.00 1.21 O ATOM 1309 CB ALA A 95 7.759 1.845 7.929 1.00 1.18 C ATOM 0 H ALA A 95 7.342 2.784 10.357 1.00 0.72 H new ATOM 0 HA ALA A 95 8.009 4.006 7.707 1.00 0.75 H new ATOM 0 HB1 ALA A 95 7.543 1.675 6.874 1.00 1.18 H new ATOM 0 HB2 ALA A 95 8.816 1.658 8.118 1.00 1.18 H new ATOM 0 HB3 ALA A 95 7.157 1.169 8.536 1.00 1.18 H new ATOM 1315 N ALA A 96 5.223 2.469 7.786 1.00 0.57 N ATOM 1316 CA ALA A 96 3.770 2.595 7.495 1.00 0.55 C ATOM 1317 C ALA A 96 3.115 3.675 8.382 1.00 0.44 C ATOM 1318 O ALA A 96 2.940 3.474 9.567 1.00 0.47 O ATOM 1319 CB ALA A 96 3.113 1.243 7.817 1.00 0.69 C ATOM 0 H ALA A 96 5.582 1.514 7.798 1.00 0.57 H new ATOM 0 HA ALA A 96 3.636 2.877 6.451 1.00 0.55 H new ATOM 0 HB1 ALA A 96 2.044 1.301 7.614 1.00 0.69 H new ATOM 0 HB2 ALA A 96 3.559 0.465 7.197 1.00 0.69 H new ATOM 0 HB3 ALA A 96 3.270 1.003 8.869 1.00 0.69 H new ATOM 1325 N PRO A 97 2.762 4.816 7.788 1.00 0.39 N ATOM 1326 CA PRO A 97 2.138 5.896 8.544 1.00 0.39 C ATOM 1327 C PRO A 97 0.784 5.495 9.144 1.00 0.48 C ATOM 1328 O PRO A 97 0.732 4.925 10.216 1.00 0.74 O ATOM 1329 CB PRO A 97 1.977 7.058 7.530 1.00 0.46 C ATOM 1330 CG PRO A 97 2.512 6.551 6.160 1.00 0.47 C ATOM 1331 CD PRO A 97 2.996 5.106 6.362 1.00 0.43 C ATOM 0 HA PRO A 97 2.751 6.173 9.402 1.00 0.39 H new ATOM 0 HB2 PRO A 97 0.931 7.355 7.448 1.00 0.46 H new ATOM 0 HB3 PRO A 97 2.533 7.936 7.859 1.00 0.46 H new ATOM 0 HG2 PRO A 97 1.728 6.591 5.403 1.00 0.47 H new ATOM 0 HG3 PRO A 97 3.327 7.183 5.808 1.00 0.47 H new ATOM 0 HD2 PRO A 97 2.446 4.414 5.724 1.00 0.43 H new ATOM 0 HD3 PRO A 97 4.051 5.005 6.108 1.00 0.43 H new ATOM 1339 N THR A 98 -0.279 5.795 8.457 1.00 0.46 N ATOM 1340 CA THR A 98 -1.616 5.428 9.001 1.00 0.52 C ATOM 1341 C THR A 98 -2.638 5.178 7.894 1.00 0.45 C ATOM 1342 O THR A 98 -2.644 4.128 7.281 1.00 0.56 O ATOM 1343 CB THR A 98 -2.109 6.586 9.870 1.00 0.67 C ATOM 1344 OG1 THR A 98 -1.805 7.757 9.140 1.00 0.80 O ATOM 1345 CG2 THR A 98 -1.272 6.699 11.152 1.00 0.56 C ATOM 0 H THR A 98 -0.284 6.271 7.555 1.00 0.46 H new ATOM 0 HA THR A 98 -1.513 4.506 9.574 1.00 0.52 H new ATOM 0 HB THR A 98 -3.162 6.445 10.113 1.00 0.67 H new ATOM 0 HG1 THR A 98 -2.099 8.543 9.645 1.00 0.80 H new ATOM 0 HG21 THR A 98 -1.640 7.529 11.755 1.00 0.56 H new ATOM 0 HG22 THR A 98 -1.352 5.773 11.722 1.00 0.56 H new ATOM 0 HG23 THR A 98 -0.228 6.875 10.891 1.00 0.56 H new ATOM 1353 N ALA A 99 -3.497 6.142 7.660 1.00 0.40 N ATOM 1354 CA ALA A 99 -4.512 5.950 6.598 1.00 0.32 C ATOM 1355 C ALA A 99 -4.018 6.443 5.254 1.00 0.34 C ATOM 1356 O ALA A 99 -4.082 7.619 4.954 1.00 0.41 O ATOM 1357 CB ALA A 99 -5.797 6.717 6.969 1.00 0.34 C ATOM 0 H ALA A 99 -3.533 7.034 8.153 1.00 0.40 H new ATOM 0 HA ALA A 99 -4.712 4.881 6.519 1.00 0.32 H new ATOM 0 HB1 ALA A 99 -6.544 6.576 6.188 1.00 0.34 H new ATOM 0 HB2 ALA A 99 -6.186 6.340 7.915 1.00 0.34 H new ATOM 0 HB3 ALA A 99 -5.571 7.779 7.067 1.00 0.34 H new ATOM 1363 N PHE A 100 -3.530 5.528 4.465 1.00 0.35 N ATOM 1364 CA PHE A 100 -3.026 5.910 3.133 1.00 0.38 C ATOM 1365 C PHE A 100 -4.185 6.361 2.269 1.00 0.34 C ATOM 1366 O PHE A 100 -5.178 6.840 2.784 1.00 0.42 O ATOM 1367 CB PHE A 100 -2.352 4.678 2.509 1.00 0.43 C ATOM 1368 CG PHE A 100 -1.322 4.088 3.504 1.00 0.41 C ATOM 1369 CD1 PHE A 100 -0.931 4.793 4.648 1.00 1.28 C ATOM 1370 CD2 PHE A 100 -0.765 2.840 3.274 1.00 1.18 C ATOM 1371 CE1 PHE A 100 -0.015 4.254 5.521 1.00 1.26 C ATOM 1372 CE2 PHE A 100 0.155 2.310 4.160 1.00 1.17 C ATOM 1373 CZ PHE A 100 0.527 3.020 5.279 1.00 0.38 C ATOM 0 H PHE A 100 -3.462 4.536 4.691 1.00 0.35 H new ATOM 0 HA PHE A 100 -2.310 6.728 3.212 1.00 0.38 H new ATOM 0 HB2 PHE A 100 -3.102 3.928 2.260 1.00 0.43 H new ATOM 0 HB3 PHE A 100 -1.856 4.955 1.578 1.00 0.43 H new ATOM 0 HD1 PHE A 100 -1.352 5.768 4.847 1.00 1.28 H new ATOM 0 HD2 PHE A 100 -1.051 2.278 2.397 1.00 1.18 H new ATOM 0 HE1 PHE A 100 0.278 4.807 6.401 1.00 1.26 H new ATOM 0 HE2 PHE A 100 0.583 1.336 3.973 1.00 1.17 H new ATOM 0 HZ PHE A 100 1.247 2.603 5.967 1.00 0.38 H new ATOM 1383 N SER A 101 -4.070 6.212 0.977 1.00 0.26 N ATOM 1384 CA SER A 101 -5.204 6.656 0.132 1.00 0.28 C ATOM 1385 C SER A 101 -5.275 5.932 -1.199 1.00 0.25 C ATOM 1386 O SER A 101 -4.453 6.139 -2.065 1.00 0.29 O ATOM 1387 CB SER A 101 -5.035 8.157 -0.141 1.00 0.36 C ATOM 1388 OG SER A 101 -5.006 8.745 1.151 1.00 0.65 O ATOM 0 H SER A 101 -3.268 5.816 0.487 1.00 0.26 H new ATOM 0 HA SER A 101 -6.125 6.433 0.671 1.00 0.28 H new ATOM 0 HB2 SER A 101 -4.117 8.361 -0.692 1.00 0.36 H new ATOM 0 HB3 SER A 101 -5.859 8.548 -0.738 1.00 0.36 H new ATOM 0 HG SER A 101 -5.426 8.138 1.796 1.00 0.65 H new ATOM 1394 N LEU A 102 -6.276 5.097 -1.336 1.00 0.24 N ATOM 1395 CA LEU A 102 -6.439 4.348 -2.595 1.00 0.25 C ATOM 1396 C LEU A 102 -6.510 5.338 -3.754 1.00 0.31 C ATOM 1397 O LEU A 102 -6.472 6.531 -3.539 1.00 0.40 O ATOM 1398 CB LEU A 102 -7.765 3.581 -2.517 1.00 0.29 C ATOM 1399 CG LEU A 102 -7.484 2.089 -2.371 1.00 0.27 C ATOM 1400 CD1 LEU A 102 -8.814 1.336 -2.309 1.00 0.33 C ATOM 1401 CD2 LEU A 102 -6.686 1.606 -3.581 1.00 0.29 C ATOM 0 H LEU A 102 -6.981 4.910 -0.623 1.00 0.24 H new ATOM 0 HA LEU A 102 -5.605 3.663 -2.747 1.00 0.25 H new ATOM 0 HB2 LEU A 102 -8.353 3.935 -1.670 1.00 0.29 H new ATOM 0 HB3 LEU A 102 -8.356 3.764 -3.414 1.00 0.29 H new ATOM 0 HG LEU A 102 -6.913 1.907 -1.461 1.00 0.27 H new ATOM 0 HD11 LEU A 102 -8.623 0.268 -2.205 1.00 0.33 H new ATOM 0 HD12 LEU A 102 -9.391 1.687 -1.453 1.00 0.33 H new ATOM 0 HD13 LEU A 102 -9.377 1.516 -3.225 1.00 0.33 H new ATOM 0 HD21 LEU A 102 -6.483 0.540 -3.481 1.00 0.29 H new ATOM 0 HD22 LEU A 102 -7.261 1.782 -4.490 1.00 0.29 H new ATOM 0 HD23 LEU A 102 -5.744 2.151 -3.637 1.00 0.29 H new ATOM 1413 N ASN A 103 -6.606 4.846 -4.954 1.00 0.31 N ATOM 1414 CA ASN A 103 -6.679 5.770 -6.101 1.00 0.39 C ATOM 1415 C ASN A 103 -7.949 6.630 -6.057 1.00 0.58 C ATOM 1416 O ASN A 103 -8.892 6.371 -6.779 1.00 1.41 O ATOM 1417 CB ASN A 103 -6.695 4.942 -7.395 1.00 0.51 C ATOM 1418 CG ASN A 103 -7.911 4.014 -7.388 1.00 0.73 C ATOM 1419 OD1 ASN A 103 -8.794 4.125 -8.216 1.00 1.65 O ATOM 1420 ND2 ASN A 103 -7.996 3.087 -6.473 1.00 0.88 N ATOM 0 H ASN A 103 -6.636 3.853 -5.184 1.00 0.31 H new ATOM 0 HA ASN A 103 -5.815 6.433 -6.062 1.00 0.39 H new ATOM 0 HB2 ASN A 103 -6.732 5.602 -8.262 1.00 0.51 H new ATOM 0 HB3 ASN A 103 -5.778 4.358 -7.478 1.00 0.51 H new ATOM 0 HD21 ASN A 103 -8.800 2.460 -6.455 1.00 0.88 H new ATOM 0 HD22 ASN A 103 -7.258 2.989 -5.776 1.00 0.88 H new ATOM 1427 N GLY A 104 -7.949 7.638 -5.204 1.00 0.66 N ATOM 1428 CA GLY A 104 -9.157 8.530 -5.105 1.00 0.70 C ATOM 1429 C GLY A 104 -9.930 8.325 -3.790 1.00 0.54 C ATOM 1430 O GLY A 104 -10.968 8.926 -3.594 1.00 0.62 O ATOM 0 H GLY A 104 -7.177 7.878 -4.582 1.00 0.66 H new ATOM 0 HA2 GLY A 104 -8.844 9.571 -5.181 1.00 0.70 H new ATOM 0 HA3 GLY A 104 -9.820 8.334 -5.948 1.00 0.70 H new ATOM 1434 N THR A 105 -9.423 7.494 -2.916 1.00 0.53 N ATOM 1435 CA THR A 105 -10.150 7.275 -1.630 1.00 0.48 C ATOM 1436 C THR A 105 -9.185 6.923 -0.487 1.00 0.37 C ATOM 1437 O THR A 105 -8.135 6.384 -0.716 1.00 0.35 O ATOM 1438 CB THR A 105 -11.107 6.099 -1.828 1.00 0.70 C ATOM 1439 OG1 THR A 105 -10.284 4.959 -1.857 1.00 1.33 O ATOM 1440 CG2 THR A 105 -11.751 6.136 -3.221 1.00 1.47 C ATOM 0 H THR A 105 -8.557 6.968 -3.032 1.00 0.53 H new ATOM 0 HA THR A 105 -10.676 8.192 -1.364 1.00 0.48 H new ATOM 0 HB THR A 105 -11.874 6.116 -1.054 1.00 0.70 H new ATOM 0 HG1 THR A 105 -10.570 4.368 -2.584 1.00 1.33 H new ATOM 0 HG21 THR A 105 -12.426 5.288 -3.332 1.00 1.47 H new ATOM 0 HG22 THR A 105 -12.311 7.064 -3.338 1.00 1.47 H new ATOM 0 HG23 THR A 105 -10.973 6.083 -3.983 1.00 1.47 H new ATOM 1448 N PRO A 106 -9.572 7.253 0.741 1.00 0.40 N ATOM 1449 CA PRO A 106 -8.736 6.966 1.915 1.00 0.37 C ATOM 1450 C PRO A 106 -8.635 5.457 2.188 1.00 0.35 C ATOM 1451 O PRO A 106 -9.377 4.671 1.633 1.00 0.59 O ATOM 1452 CB PRO A 106 -9.473 7.631 3.095 1.00 0.50 C ATOM 1453 CG PRO A 106 -10.849 8.132 2.559 1.00 0.60 C ATOM 1454 CD PRO A 106 -10.833 7.960 1.031 1.00 0.53 C ATOM 0 HA PRO A 106 -7.721 7.334 1.766 1.00 0.37 H new ATOM 0 HB2 PRO A 106 -9.613 6.921 3.910 1.00 0.50 H new ATOM 0 HB3 PRO A 106 -8.890 8.462 3.493 1.00 0.50 H new ATOM 0 HG2 PRO A 106 -11.665 7.561 3.002 1.00 0.60 H new ATOM 0 HG3 PRO A 106 -11.009 9.176 2.827 1.00 0.60 H new ATOM 0 HD2 PRO A 106 -11.695 7.387 0.689 1.00 0.53 H new ATOM 0 HD3 PRO A 106 -10.870 8.925 0.525 1.00 0.53 H new ATOM 1462 N CYS A 107 -7.711 5.090 3.042 1.00 0.29 N ATOM 1463 CA CYS A 107 -7.537 3.645 3.377 1.00 0.27 C ATOM 1464 C CYS A 107 -6.807 3.505 4.719 1.00 0.28 C ATOM 1465 O CYS A 107 -5.614 3.683 4.793 1.00 0.34 O ATOM 1466 CB CYS A 107 -6.705 2.973 2.268 1.00 0.27 C ATOM 1467 SG CYS A 107 -6.978 1.200 1.983 1.00 0.44 S ATOM 0 H CYS A 107 -7.073 5.727 3.519 1.00 0.29 H new ATOM 0 HA CYS A 107 -8.514 3.167 3.452 1.00 0.27 H new ATOM 0 HB2 CYS A 107 -6.900 3.499 1.334 1.00 0.27 H new ATOM 0 HB3 CYS A 107 -5.650 3.119 2.502 1.00 0.27 H new ATOM 1472 N THR A 108 -7.552 3.160 5.751 1.00 0.29 N ATOM 1473 CA THR A 108 -6.933 3.002 7.118 1.00 0.31 C ATOM 1474 C THR A 108 -6.002 1.788 7.228 1.00 0.00 C ATOM 1475 O THR A 108 -6.347 0.701 6.831 1.00 0.00 O ATOM 1476 CB THR A 108 -8.073 2.821 8.126 1.00 0.39 C ATOM 1477 OG1 THR A 108 -9.125 2.222 7.397 1.00 0.96 O ATOM 1478 CG2 THR A 108 -8.635 4.182 8.568 1.00 1.04 C ATOM 0 H THR A 108 -8.555 2.982 5.708 1.00 0.29 H new ATOM 0 HA THR A 108 -6.330 3.889 7.312 1.00 0.31 H new ATOM 0 HB THR A 108 -7.717 2.257 8.988 1.00 0.39 H new ATOM 0 HG1 THR A 108 -9.789 2.903 7.161 1.00 0.96 H new ATOM 0 HG21 THR A 108 -9.443 4.027 9.283 1.00 1.04 H new ATOM 0 HG22 THR A 108 -7.844 4.768 9.036 1.00 1.04 H new ATOM 0 HG23 THR A 108 -9.018 4.717 7.699 1.00 1.04 H new ATOM 1486 N VAL A 109 -4.824 1.996 7.777 1.00 0.00 N ATOM 1487 CA VAL A 109 -3.889 0.848 7.909 1.00 0.00 C ATOM 1488 C VAL A 109 -4.611 -0.351 8.519 1.00 0.00 C ATOM 1489 O VAL A 109 -5.685 -0.211 9.073 1.00 0.00 O ATOM 1490 CB VAL A 109 -2.727 1.238 8.849 1.00 0.00 C ATOM 1491 CG1 VAL A 109 -1.545 1.765 8.024 1.00 0.00 C ATOM 1492 CG2 VAL A 109 -3.199 2.323 9.824 1.00 0.00 C ATOM 0 H VAL A 109 -4.483 2.891 8.129 1.00 0.00 H new ATOM 0 HA VAL A 109 -3.513 0.590 6.919 1.00 0.00 H new ATOM 0 HB VAL A 109 -2.408 0.360 9.410 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.728 2.039 8.692 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -1.207 0.990 7.336 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -1.859 2.641 7.457 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -2.379 2.598 10.487 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -3.522 3.200 9.264 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -4.032 1.943 10.415 1.00 0.00 H new ATOM 1502 N GLY A 110 -3.999 -1.506 8.418 1.00 0.00 N ATOM 1503 CA GLY A 110 -4.631 -2.739 8.987 1.00 0.00 C ATOM 1504 C GLY A 110 -3.783 -3.291 10.133 1.00 0.00 C ATOM 1505 O GLY A 110 -3.745 -4.506 10.241 1.00 0.00 O ATOM 1506 OXT GLY A 110 -3.220 -2.468 10.836 1.00 0.00 O ATOM 0 H GLY A 110 -3.094 -1.649 7.969 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -5.634 -2.509 9.346 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -4.737 -3.494 8.208 1.00 0.00 H new TER 1510 GLY A 110 CONECT 78 1467 CONECT 1467 78 END