USER MOD reduce.3.24.130724 H: found=0, std=0, add=700, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 700 hydrogens (0 hets) HEADER GLYCOPROTEIN 14-JUL-93 1TTG TITLE THE THREE-DIMENSIONAL STRUCTURE OF THE TENTH TYPE III TITLE 2 MODULE OF FIBRONECTIN: AN INSIGHT INTO RGD-MEDIATED TITLE 3 INTERACTIONS COMPND MOL_ID: 1; COMPND 2 MOLECULE: FIBRONECTIN; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606 KEYWDS GLYCOPROTEIN EXPDTA SOLUTION NMR AUTHOR A.L.MAIN,T.S.HARVEY,M.BARON,I.D.CAMPBELL REVDAT 2 24-FEB-09 1TTG 1 VERSN REVDAT 1 31-JAN-94 1TTG 0 JRNL AUTH A.L.MAIN,T.S.HARVEY,M.BARON,J.BOYD,I.D.CAMPBELL JRNL TITL THE THREE-DIMENSIONAL STRUCTURE OF THE TENTH TYPE JRNL TITL 2 III MODULE OF FIBRONECTIN: AN INSIGHT INTO JRNL TITL 3 RGD-MEDIATED INTERACTIONS. JRNL REF CELL(CAMBRIDGE,MASS.) V. 71 671 1992 JRNL REFN ISSN 0092-8674 JRNL PMID 1423622 JRNL DOI 10.1016/0092-8674(92)90600-H REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH M.BARON,A.L.MAIN,P.C.DRISCOLL,H.J.MARDON,J.BOYD, REMARK 1 AUTH 2 I.D.CAMPBELL REMARK 1 TITL 1H NMR ASSIGNMENT AND SECONDARY STRUCTURE OF THE REMARK 1 TITL 2 CELL ADHESION TYPE III MODULE OF FIBRONECTIN REMARK 1 REF BIOCHEMISTRY V. 31 2068 1992 REMARK 1 REFN ISSN 0006-2960 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 1TTG 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 22 CG TRP A 22 CD2 -0.110 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 TRP A 22 CG - CD1 - NE1 ANGL. DEV. = -6.2 DEGREES REMARK 500 TRP A 22 NE1 - CE2 - CZ2 ANGL. DEV. = 9.3 DEGREES REMARK 500 TRP A 22 NE1 - CE2 - CD2 ANGL. DEV. = -7.3 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 2 100.52 -54.70 REMARK 500 PRO A 15 4.43 -61.21 REMARK 500 THR A 16 21.49 -160.76 REMARK 500 SER A 17 147.94 -173.34 REMARK 500 TRP A 22 -139.31 -122.84 REMARK 500 PRO A 25 -177.09 -59.04 REMARK 500 VAL A 27 -179.68 -67.65 REMARK 500 SER A 43 100.44 -162.39 REMARK 500 VAL A 45 -76.08 -50.68 REMARK 500 GLN A 46 -163.83 -171.62 REMARK 500 PRO A 51 13.34 -58.48 REMARK 500 LEU A 62 -157.45 -118.50 REMARK 500 VAL A 66 134.22 -170.66 REMARK 500 THR A 76 -79.04 -94.39 REMARK 500 ARG A 78 -81.29 -119.63 REMARK 500 ASP A 80 -80.56 -150.84 REMARK 500 PRO A 82 87.77 -61.64 REMARK 500 ALA A 83 80.45 -63.06 REMARK 500 SER A 84 102.94 -59.29 REMARK 500 SER A 85 -159.95 -58.52 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 ARG A 6 0.30 SIDE_CHAIN REMARK 500 ARG A 30 0.15 SIDE_CHAIN REMARK 500 ARG A 33 0.14 SIDE_CHAIN REMARK 500 ARG A 78 0.24 SIDE_CHAIN REMARK 500 ARG A 93 0.10 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: RGD REMARK 800 EVIDENCE_CODE: UNKNOWN REMARK 800 SITE_DESCRIPTION: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1TTF RELATED DB: PDB DBREF 1TTG A 1 94 UNP P02751 FINC_HUMAN 1447 1540 SEQRES 1 A 94 VAL SER ASP VAL PRO ARG ASP LEU GLU VAL VAL ALA ALA SEQRES 2 A 94 THR PRO THR SER LEU LEU ILE SER TRP ASP ALA PRO ALA SEQRES 3 A 94 VAL THR VAL ARG TYR TYR ARG ILE THR TYR GLY GLU THR SEQRES 4 A 94 GLY GLY ASN SER PRO VAL GLN GLU PHE THR VAL PRO GLY SEQRES 5 A 94 SER LYS SER THR ALA THR ILE SER GLY LEU LYS PRO GLY SEQRES 6 A 94 VAL ASP TYR THR ILE THR VAL TYR ALA VAL THR GLY ARG SEQRES 7 A 94 GLY ASP SER PRO ALA SER SER LYS PRO ILE SER ILE ASN SEQRES 8 A 94 TYR ARG THR SHEET 1 1 3 GLU A 9 THR A 14 0 SHEET 2 1 3 SER A 17 ASP A 23 -1 O SER A 21 N GLU A 9 SHEET 3 1 3 THR A 56 SER A 60 -1 N ALA A 57 O ILE A 20 SHEET 1 2 4 GLN A 46 PRO A 51 0 SHEET 2 2 4 TYR A 31 GLU A 38 -1 N TYR A 36 O GLN A 46 SHEET 3 2 4 VAL A 66 THR A 76 -1 N VAL A 75 O TYR A 31 SHEET 4 2 4 ILE A 88 THR A 94 -1 N ILE A 88 O VAL A 72 SITE *** RGD 3 ARG A 78 GLY A 79 ASP A 80 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 39 THR OG1 : rot 55:sc= 1.57 USER MOD Set 1.2: A 69 THR OG1 : rot -151:sc= 1.31 USER MOD Set 2.1: A 14 THR OG1 : rot 61:sc= 0.964 USER MOD Set 2.2: A 17 SER OG : rot -89:sc= 1.18 USER MOD Single : A 1 VAL N :NH3+ -171:sc= -1.09 (180deg=-1.28) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= -1.1! USER MOD Single : A 21 SER OG : rot 140:sc= -2.18 USER MOD Single : A 28 THR OG1 : rot 90:sc= 0.116 USER MOD Single : A 31 TYR OH : rot 180:sc= 0.0269 USER MOD Single : A 32 TYR OH : rot 120:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.0329 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.0231 X(o=-0.023,f=-0.15) USER MOD Single : A 43 SER OG : rot 70:sc= 1.12 USER MOD Single : A 46 GLN : amide:sc=-0.00218 K(o=-0.0022,f=-1.2) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -40:sc= -0.0847 USER MOD Single : A 63 LYS NZ :NH3+ 155:sc=-0.000141 (180deg=-0.771) USER MOD Single : A 68 TYR OH : rot 150:sc= -0.421 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.59 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.647 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot -73:sc= 0.79! USER MOD Single : A 85 SER OG : rot 167:sc= 0.952 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.222 K(o=-0.22,f=-1.4!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 117:sc= -0.23 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 6.127 19.500 -7.782 1.00 0.00 N ATOM 2 CA VAL A 1 5.908 19.266 -9.231 1.00 0.00 C ATOM 3 C VAL A 1 5.965 17.772 -9.534 1.00 0.00 C ATOM 4 O VAL A 1 5.331 17.299 -10.457 1.00 0.00 O ATOM 5 CB VAL A 1 7.003 19.964 -10.061 1.00 0.00 C ATOM 6 CG1 VAL A 1 7.009 21.466 -9.755 1.00 0.00 C ATOM 7 CG2 VAL A 1 8.363 19.367 -9.699 1.00 0.00 C ATOM 0 H1 VAL A 1 5.936 20.498 -7.559 1.00 0.00 H new ATOM 0 H2 VAL A 1 5.486 18.894 -7.232 1.00 0.00 H new ATOM 0 H3 VAL A 1 7.112 19.273 -7.539 1.00 0.00 H new ATOM 0 HA VAL A 1 4.930 19.669 -9.492 1.00 0.00 H new ATOM 0 HB VAL A 1 6.804 19.815 -11.122 1.00 0.00 H new ATOM 0 HG11 VAL A 1 7.785 21.954 -10.344 1.00 0.00 H new ATOM 0 HG12 VAL A 1 6.038 21.893 -10.008 1.00 0.00 H new ATOM 0 HG13 VAL A 1 7.208 21.620 -8.694 1.00 0.00 H new ATOM 0 HG21 VAL A 1 9.142 19.857 -10.283 1.00 0.00 H new ATOM 0 HG22 VAL A 1 8.556 19.519 -8.637 1.00 0.00 H new ATOM 0 HG23 VAL A 1 8.362 18.299 -9.919 1.00 0.00 H new ATOM 19 N SER A 2 6.731 17.055 -8.754 1.00 0.00 N ATOM 20 CA SER A 2 6.841 15.590 -8.982 1.00 0.00 C ATOM 21 C SER A 2 5.463 14.935 -8.984 1.00 0.00 C ATOM 22 O SER A 2 4.896 14.682 -7.939 1.00 0.00 O ATOM 23 CB SER A 2 7.669 14.988 -7.837 1.00 0.00 C ATOM 24 OG SER A 2 9.014 15.153 -8.257 1.00 0.00 O ATOM 0 H SER A 2 7.280 17.420 -7.976 1.00 0.00 H new ATOM 0 HA SER A 2 7.313 15.413 -9.949 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.480 15.503 -6.895 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.427 13.937 -7.680 1.00 0.00 H new ATOM 0 HG SER A 2 9.617 14.792 -7.574 1.00 0.00 H new ATOM 30 N ASP A 3 4.952 14.667 -10.168 1.00 0.00 N ATOM 31 CA ASP A 3 3.605 14.026 -10.274 1.00 0.00 C ATOM 32 C ASP A 3 3.702 12.616 -10.885 1.00 0.00 C ATOM 33 O ASP A 3 2.784 12.160 -11.541 1.00 0.00 O ATOM 34 CB ASP A 3 2.735 14.912 -11.192 1.00 0.00 C ATOM 35 CG ASP A 3 2.076 16.011 -10.358 1.00 0.00 C ATOM 36 OD1 ASP A 3 2.753 16.496 -9.468 1.00 0.00 O ATOM 37 OD2 ASP A 3 0.929 16.306 -10.660 1.00 0.00 O ATOM 0 H ASP A 3 5.410 14.865 -11.058 1.00 0.00 H new ATOM 0 HA ASP A 3 3.172 13.932 -9.278 1.00 0.00 H new ATOM 0 HB2 ASP A 3 3.348 15.354 -11.977 1.00 0.00 H new ATOM 0 HB3 ASP A 3 1.973 14.307 -11.685 1.00 0.00 H new ATOM 42 N VAL A 4 4.811 11.951 -10.641 1.00 0.00 N ATOM 43 CA VAL A 4 4.992 10.570 -11.198 1.00 0.00 C ATOM 44 C VAL A 4 5.438 9.570 -10.079 1.00 0.00 C ATOM 45 O VAL A 4 6.457 9.785 -9.456 1.00 0.00 O ATOM 46 CB VAL A 4 6.124 10.651 -12.253 1.00 0.00 C ATOM 47 CG1 VAL A 4 6.342 9.276 -12.892 1.00 0.00 C ATOM 48 CG2 VAL A 4 5.731 11.648 -13.346 1.00 0.00 C ATOM 0 H VAL A 4 5.591 12.302 -10.085 1.00 0.00 H new ATOM 0 HA VAL A 4 4.052 10.219 -11.624 1.00 0.00 H new ATOM 0 HB VAL A 4 7.042 10.975 -11.764 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.139 9.341 -13.632 1.00 0.00 H new ATOM 0 HG12 VAL A 4 6.620 8.557 -12.122 1.00 0.00 H new ATOM 0 HG13 VAL A 4 5.422 8.950 -13.377 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.527 11.706 -14.089 1.00 0.00 H new ATOM 0 HG22 VAL A 4 4.810 11.317 -13.826 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.576 12.632 -12.903 1.00 0.00 H new ATOM 58 N PRO A 5 4.666 8.476 -9.832 1.00 0.00 N ATOM 59 CA PRO A 5 5.049 7.513 -8.789 1.00 0.00 C ATOM 60 C PRO A 5 6.489 7.040 -8.974 1.00 0.00 C ATOM 61 O PRO A 5 6.994 7.004 -10.079 1.00 0.00 O ATOM 62 CB PRO A 5 4.071 6.329 -8.961 1.00 0.00 C ATOM 63 CG PRO A 5 2.965 6.787 -9.958 1.00 0.00 C ATOM 64 CD PRO A 5 3.414 8.135 -10.551 1.00 0.00 C ATOM 0 HA PRO A 5 4.997 7.957 -7.795 1.00 0.00 H new ATOM 0 HB2 PRO A 5 4.593 5.451 -9.342 1.00 0.00 H new ATOM 0 HB3 PRO A 5 3.633 6.049 -8.003 1.00 0.00 H new ATOM 0 HG2 PRO A 5 2.828 6.047 -10.746 1.00 0.00 H new ATOM 0 HG3 PRO A 5 2.007 6.891 -9.448 1.00 0.00 H new ATOM 0 HD2 PRO A 5 3.585 8.056 -11.625 1.00 0.00 H new ATOM 0 HD3 PRO A 5 2.654 8.903 -10.405 1.00 0.00 H new ATOM 72 N ARG A 6 7.125 6.679 -7.888 1.00 0.00 N ATOM 73 CA ARG A 6 8.539 6.208 -7.999 1.00 0.00 C ATOM 74 C ARG A 6 8.920 5.247 -6.873 1.00 0.00 C ATOM 75 O ARG A 6 8.100 4.868 -6.061 1.00 0.00 O ATOM 76 CB ARG A 6 9.459 7.437 -7.906 1.00 0.00 C ATOM 77 CG ARG A 6 9.055 8.271 -6.685 1.00 0.00 C ATOM 78 CD ARG A 6 10.117 9.347 -6.430 1.00 0.00 C ATOM 79 NE ARG A 6 10.819 9.035 -5.150 1.00 0.00 N ATOM 80 CZ ARG A 6 11.490 9.973 -4.538 1.00 0.00 C ATOM 81 NH1 ARG A 6 12.599 10.410 -5.073 1.00 0.00 N ATOM 82 NH2 ARG A 6 11.033 10.439 -3.406 1.00 0.00 N ATOM 0 H ARG A 6 6.735 6.689 -6.945 1.00 0.00 H new ATOM 0 HA ARG A 6 8.646 5.680 -8.947 1.00 0.00 H new ATOM 0 HB2 ARG A 6 10.499 7.123 -7.820 1.00 0.00 H new ATOM 0 HB3 ARG A 6 9.381 8.036 -8.814 1.00 0.00 H new ATOM 0 HG2 ARG A 6 8.084 8.736 -6.853 1.00 0.00 H new ATOM 0 HG3 ARG A 6 8.954 7.629 -5.810 1.00 0.00 H new ATOM 0 HD2 ARG A 6 10.830 9.377 -7.254 1.00 0.00 H new ATOM 0 HD3 ARG A 6 9.652 10.331 -6.375 1.00 0.00 H new ATOM 0 HE ARG A 6 10.775 8.095 -4.756 1.00 0.00 H new ATOM 0 HH11 ARG A 6 12.928 10.019 -5.956 1.00 0.00 H new ATOM 0 HH12 ARG A 6 13.135 11.142 -4.608 1.00 0.00 H new ATOM 0 HH21 ARG A 6 10.166 10.070 -3.015 1.00 0.00 H new ATOM 0 HH22 ARG A 6 11.543 11.172 -2.913 1.00 0.00 H new ATOM 96 N ASP A 7 10.177 4.877 -6.861 1.00 0.00 N ATOM 97 CA ASP A 7 10.684 3.944 -5.817 1.00 0.00 C ATOM 98 C ASP A 7 9.768 2.732 -5.618 1.00 0.00 C ATOM 99 O ASP A 7 9.669 2.201 -4.529 1.00 0.00 O ATOM 100 CB ASP A 7 10.794 4.716 -4.491 1.00 0.00 C ATOM 101 CG ASP A 7 12.066 5.570 -4.511 1.00 0.00 C ATOM 102 OD1 ASP A 7 13.120 4.967 -4.638 1.00 0.00 O ATOM 103 OD2 ASP A 7 11.911 6.774 -4.400 1.00 0.00 O ATOM 0 H ASP A 7 10.876 5.186 -7.537 1.00 0.00 H new ATOM 0 HA ASP A 7 11.654 3.567 -6.142 1.00 0.00 H new ATOM 0 HB2 ASP A 7 9.918 5.350 -4.351 1.00 0.00 H new ATOM 0 HB3 ASP A 7 10.821 4.020 -3.652 1.00 0.00 H new ATOM 108 N LEU A 8 9.115 2.307 -6.666 1.00 0.00 N ATOM 109 CA LEU A 8 8.217 1.130 -6.522 1.00 0.00 C ATOM 110 C LEU A 8 9.046 -0.111 -6.210 1.00 0.00 C ATOM 111 O LEU A 8 9.751 -0.613 -7.063 1.00 0.00 O ATOM 112 CB LEU A 8 7.477 0.907 -7.851 1.00 0.00 C ATOM 113 CG LEU A 8 6.522 2.076 -8.101 1.00 0.00 C ATOM 114 CD1 LEU A 8 6.883 2.747 -9.426 1.00 0.00 C ATOM 115 CD2 LEU A 8 5.088 1.546 -8.182 1.00 0.00 C ATOM 0 H LEU A 8 9.163 2.716 -7.599 1.00 0.00 H new ATOM 0 HA LEU A 8 7.507 1.309 -5.715 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.192 0.826 -8.669 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.922 -0.030 -7.818 1.00 0.00 H new ATOM 0 HG LEU A 8 6.604 2.797 -7.288 1.00 0.00 H new ATOM 0 HD11 LEU A 8 6.205 3.581 -9.608 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.908 3.116 -9.380 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.794 2.023 -10.236 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.403 2.375 -8.360 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.011 0.829 -9.000 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.828 1.056 -7.244 1.00 0.00 H new ATOM 127 N GLU A 9 8.953 -0.591 -4.993 1.00 0.00 N ATOM 128 CA GLU A 9 9.741 -1.799 -4.629 1.00 0.00 C ATOM 129 C GLU A 9 8.999 -2.682 -3.629 1.00 0.00 C ATOM 130 O GLU A 9 7.961 -2.310 -3.110 1.00 0.00 O ATOM 131 CB GLU A 9 11.053 -1.331 -3.976 1.00 0.00 C ATOM 132 CG GLU A 9 12.233 -2.038 -4.644 1.00 0.00 C ATOM 133 CD GLU A 9 13.733 -1.916 -4.365 1.00 0.00 C ATOM 134 OE1 GLU A 9 14.174 -2.608 -3.461 1.00 0.00 O ATOM 135 OE2 GLU A 9 14.354 -1.137 -5.070 1.00 0.00 O ATOM 0 H GLU A 9 8.373 -0.202 -4.249 1.00 0.00 H new ATOM 0 HA GLU A 9 9.918 -2.382 -5.533 1.00 0.00 H new ATOM 0 HB2 GLU A 9 11.157 -0.251 -4.077 1.00 0.00 H new ATOM 0 HB3 GLU A 9 11.040 -1.551 -2.909 1.00 0.00 H new ATOM 0 HG2 GLU A 9 12.017 -3.100 -4.530 1.00 0.00 H new ATOM 0 HG3 GLU A 9 12.130 -1.804 -5.704 1.00 0.00 H new ATOM 142 N VAL A 10 9.557 -3.845 -3.384 1.00 0.00 N ATOM 143 CA VAL A 10 8.925 -4.788 -2.426 1.00 0.00 C ATOM 144 C VAL A 10 9.674 -4.760 -1.093 1.00 0.00 C ATOM 145 O VAL A 10 10.862 -5.013 -1.044 1.00 0.00 O ATOM 146 CB VAL A 10 9.016 -6.205 -3.013 1.00 0.00 C ATOM 147 CG1 VAL A 10 8.158 -7.151 -2.173 1.00 0.00 C ATOM 148 CG2 VAL A 10 8.487 -6.190 -4.450 1.00 0.00 C ATOM 0 H VAL A 10 10.423 -4.175 -3.810 1.00 0.00 H new ATOM 0 HA VAL A 10 7.887 -4.501 -2.260 1.00 0.00 H new ATOM 0 HB VAL A 10 10.053 -6.541 -3.006 1.00 0.00 H new ATOM 0 HG11 VAL A 10 8.218 -8.159 -2.584 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.522 -7.156 -1.145 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.122 -6.814 -2.189 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.549 -7.193 -4.871 1.00 0.00 H new ATOM 0 HG22 VAL A 10 7.448 -5.860 -4.452 1.00 0.00 H new ATOM 0 HG23 VAL A 10 9.086 -5.506 -5.051 1.00 0.00 H new ATOM 158 N VAL A 11 8.971 -4.455 -0.034 1.00 0.00 N ATOM 159 CA VAL A 11 9.645 -4.408 1.292 1.00 0.00 C ATOM 160 C VAL A 11 9.842 -5.800 1.873 1.00 0.00 C ATOM 161 O VAL A 11 10.888 -6.109 2.406 1.00 0.00 O ATOM 162 CB VAL A 11 8.774 -3.585 2.255 1.00 0.00 C ATOM 163 CG1 VAL A 11 9.598 -3.225 3.492 1.00 0.00 C ATOM 164 CG2 VAL A 11 8.329 -2.298 1.559 1.00 0.00 C ATOM 0 H VAL A 11 7.974 -4.240 -0.030 1.00 0.00 H new ATOM 0 HA VAL A 11 10.627 -3.954 1.162 1.00 0.00 H new ATOM 0 HB VAL A 11 7.900 -4.166 2.548 1.00 0.00 H new ATOM 0 HG11 VAL A 11 8.986 -2.641 4.179 1.00 0.00 H new ATOM 0 HG12 VAL A 11 9.929 -4.138 3.987 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.467 -2.639 3.192 1.00 0.00 H new ATOM 0 HG21 VAL A 11 7.711 -1.712 2.239 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.206 -1.717 1.273 1.00 0.00 H new ATOM 0 HG23 VAL A 11 7.753 -2.547 0.668 1.00 0.00 H new ATOM 174 N ALA A 12 8.840 -6.611 1.761 1.00 0.00 N ATOM 175 CA ALA A 12 8.959 -7.992 2.306 1.00 0.00 C ATOM 176 C ALA A 12 7.933 -8.927 1.675 1.00 0.00 C ATOM 177 O ALA A 12 7.017 -8.490 1.000 1.00 0.00 O ATOM 178 CB ALA A 12 8.712 -7.939 3.821 1.00 0.00 C ATOM 0 H ALA A 12 7.948 -6.387 1.321 1.00 0.00 H new ATOM 0 HA ALA A 12 9.955 -8.372 2.081 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.795 -8.942 4.239 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.452 -7.289 4.288 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.713 -7.548 4.013 1.00 0.00 H new ATOM 184 N ALA A 13 8.106 -10.204 1.913 1.00 0.00 N ATOM 185 CA ALA A 13 7.158 -11.196 1.340 1.00 0.00 C ATOM 186 C ALA A 13 6.890 -12.327 2.328 1.00 0.00 C ATOM 187 O ALA A 13 7.781 -13.084 2.661 1.00 0.00 O ATOM 188 CB ALA A 13 7.796 -11.793 0.077 1.00 0.00 C ATOM 0 H ALA A 13 8.860 -10.596 2.477 1.00 0.00 H new ATOM 0 HA ALA A 13 6.215 -10.698 1.114 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.118 -12.525 -0.362 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.988 -10.998 -0.644 1.00 0.00 H new ATOM 0 HB3 ALA A 13 8.735 -12.280 0.339 1.00 0.00 H new ATOM 194 N THR A 14 5.663 -12.424 2.775 1.00 0.00 N ATOM 195 CA THR A 14 5.321 -13.501 3.738 1.00 0.00 C ATOM 196 C THR A 14 4.739 -14.715 2.989 1.00 0.00 C ATOM 197 O THR A 14 4.311 -14.591 1.859 1.00 0.00 O ATOM 198 CB THR A 14 4.263 -12.957 4.710 1.00 0.00 C ATOM 199 OG1 THR A 14 3.803 -11.758 4.124 1.00 0.00 O ATOM 200 CG2 THR A 14 4.908 -12.514 6.036 1.00 0.00 C ATOM 0 H THR A 14 4.893 -11.807 2.515 1.00 0.00 H new ATOM 0 HA THR A 14 6.216 -13.813 4.276 1.00 0.00 H new ATOM 0 HB THR A 14 3.504 -13.718 4.891 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.409 -11.952 3.248 1.00 0.00 H new ATOM 0 HG21 THR A 14 4.137 -12.133 6.706 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.405 -13.365 6.501 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.639 -11.730 5.841 1.00 0.00 H new ATOM 208 N PRO A 15 4.730 -15.877 3.637 1.00 0.00 N ATOM 209 CA PRO A 15 4.198 -17.088 3.013 1.00 0.00 C ATOM 210 C PRO A 15 2.718 -16.951 2.655 1.00 0.00 C ATOM 211 O PRO A 15 2.104 -17.897 2.202 1.00 0.00 O ATOM 212 CB PRO A 15 4.359 -18.192 4.080 1.00 0.00 C ATOM 213 CG PRO A 15 4.935 -17.518 5.363 1.00 0.00 C ATOM 214 CD PRO A 15 5.247 -16.057 5.010 1.00 0.00 C ATOM 0 HA PRO A 15 4.724 -17.301 2.083 1.00 0.00 H new ATOM 0 HB2 PRO A 15 3.400 -18.664 4.292 1.00 0.00 H new ATOM 0 HB3 PRO A 15 5.028 -18.975 3.724 1.00 0.00 H new ATOM 0 HG2 PRO A 15 4.216 -17.571 6.181 1.00 0.00 H new ATOM 0 HG3 PRO A 15 5.836 -18.034 5.697 1.00 0.00 H new ATOM 0 HD2 PRO A 15 4.765 -15.371 5.706 1.00 0.00 H new ATOM 0 HD3 PRO A 15 6.318 -15.859 5.058 1.00 0.00 H new ATOM 222 N THR A 16 2.163 -15.785 2.859 1.00 0.00 N ATOM 223 CA THR A 16 0.723 -15.612 2.525 1.00 0.00 C ATOM 224 C THR A 16 0.347 -14.142 2.366 1.00 0.00 C ATOM 225 O THR A 16 -0.809 -13.788 2.482 1.00 0.00 O ATOM 226 CB THR A 16 -0.108 -16.204 3.669 1.00 0.00 C ATOM 227 OG1 THR A 16 0.802 -16.964 4.439 1.00 0.00 O ATOM 228 CG2 THR A 16 -1.119 -17.231 3.136 1.00 0.00 C ATOM 0 H THR A 16 2.634 -14.962 3.235 1.00 0.00 H new ATOM 0 HA THR A 16 0.527 -16.116 1.578 1.00 0.00 H new ATOM 0 HB THR A 16 -0.622 -15.405 4.203 1.00 0.00 H new ATOM 0 HG1 THR A 16 0.330 -17.372 5.195 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.697 -17.637 3.966 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.792 -16.746 2.429 1.00 0.00 H new ATOM 0 HG23 THR A 16 -0.587 -18.039 2.635 1.00 0.00 H new ATOM 236 N SER A 17 1.315 -13.309 2.106 1.00 0.00 N ATOM 237 CA SER A 17 0.995 -11.864 1.941 1.00 0.00 C ATOM 238 C SER A 17 2.215 -11.073 1.483 1.00 0.00 C ATOM 239 O SER A 17 3.332 -11.401 1.826 1.00 0.00 O ATOM 240 CB SER A 17 0.531 -11.310 3.303 1.00 0.00 C ATOM 241 OG SER A 17 1.655 -10.593 3.786 1.00 0.00 O ATOM 0 H SER A 17 2.298 -13.560 2.002 1.00 0.00 H new ATOM 0 HA SER A 17 0.216 -11.764 1.185 1.00 0.00 H new ATOM 0 HB2 SER A 17 -0.339 -10.662 3.194 1.00 0.00 H new ATOM 0 HB3 SER A 17 0.247 -12.112 3.984 1.00 0.00 H new ATOM 0 HG SER A 17 2.230 -11.196 4.302 1.00 0.00 H new ATOM 247 N LEU A 18 1.967 -10.039 0.711 1.00 0.00 N ATOM 248 CA LEU A 18 3.092 -9.194 0.207 1.00 0.00 C ATOM 249 C LEU A 18 2.909 -7.741 0.638 1.00 0.00 C ATOM 250 O LEU A 18 1.798 -7.256 0.713 1.00 0.00 O ATOM 251 CB LEU A 18 3.082 -9.245 -1.335 1.00 0.00 C ATOM 252 CG LEU A 18 4.515 -9.073 -1.868 1.00 0.00 C ATOM 253 CD1 LEU A 18 5.140 -10.452 -2.099 1.00 0.00 C ATOM 254 CD2 LEU A 18 4.476 -8.312 -3.197 1.00 0.00 C ATOM 0 H LEU A 18 1.037 -9.747 0.411 1.00 0.00 H new ATOM 0 HA LEU A 18 4.031 -9.571 0.613 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.669 -10.195 -1.675 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.440 -8.458 -1.730 1.00 0.00 H new ATOM 0 HG LEU A 18 5.108 -8.516 -1.142 1.00 0.00 H new ATOM 0 HD11 LEU A 18 6.155 -10.333 -2.477 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.165 -11.002 -1.158 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.545 -11.004 -2.827 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.491 -8.189 -3.576 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.884 -8.873 -3.920 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.026 -7.332 -3.042 1.00 0.00 H new ATOM 266 N LEU A 19 4.006 -7.078 0.918 1.00 0.00 N ATOM 267 CA LEU A 19 3.924 -5.648 1.347 1.00 0.00 C ATOM 268 C LEU A 19 4.615 -4.765 0.317 1.00 0.00 C ATOM 269 O LEU A 19 5.826 -4.757 0.222 1.00 0.00 O ATOM 270 CB LEU A 19 4.655 -5.505 2.713 1.00 0.00 C ATOM 271 CG LEU A 19 4.021 -4.376 3.567 1.00 0.00 C ATOM 272 CD1 LEU A 19 4.269 -4.677 5.045 1.00 0.00 C ATOM 273 CD2 LEU A 19 4.682 -3.040 3.223 1.00 0.00 C ATOM 0 H LEU A 19 4.949 -7.464 0.868 1.00 0.00 H new ATOM 0 HA LEU A 19 2.881 -5.345 1.438 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.605 -6.449 3.257 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.710 -5.289 2.544 1.00 0.00 H new ATOM 0 HG LEU A 19 2.952 -4.321 3.363 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.828 -3.889 5.656 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.815 -5.634 5.303 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.342 -4.723 5.232 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.235 -2.248 3.824 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.750 -3.097 3.434 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.532 -2.822 2.166 1.00 0.00 H new ATOM 285 N ILE A 20 3.830 -4.029 -0.438 1.00 0.00 N ATOM 286 CA ILE A 20 4.436 -3.142 -1.470 1.00 0.00 C ATOM 287 C ILE A 20 4.557 -1.708 -0.971 1.00 0.00 C ATOM 288 O ILE A 20 3.873 -1.307 -0.049 1.00 0.00 O ATOM 289 CB ILE A 20 3.546 -3.165 -2.715 1.00 0.00 C ATOM 290 CG1 ILE A 20 2.100 -2.834 -2.344 1.00 0.00 C ATOM 291 CG2 ILE A 20 3.594 -4.582 -3.318 1.00 0.00 C ATOM 292 CD1 ILE A 20 1.500 -1.947 -3.439 1.00 0.00 C ATOM 0 H ILE A 20 2.812 -4.007 -0.382 1.00 0.00 H new ATOM 0 HA ILE A 20 5.438 -3.507 -1.698 1.00 0.00 H new ATOM 0 HB ILE A 20 3.904 -2.425 -3.430 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.518 -3.750 -2.239 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.065 -2.322 -1.382 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.965 -4.620 -4.208 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.621 -4.828 -3.588 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.230 -5.302 -2.585 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.468 -1.704 -3.186 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.080 -1.028 -3.521 1.00 0.00 H new ATOM 0 HD13 ILE A 20 1.525 -2.477 -4.391 1.00 0.00 H new ATOM 304 N SER A 21 5.430 -0.958 -1.594 1.00 0.00 N ATOM 305 CA SER A 21 5.608 0.451 -1.170 1.00 0.00 C ATOM 306 C SER A 21 6.058 1.325 -2.334 1.00 0.00 C ATOM 307 O SER A 21 7.087 1.076 -2.933 1.00 0.00 O ATOM 308 CB SER A 21 6.690 0.490 -0.079 1.00 0.00 C ATOM 309 OG SER A 21 7.542 -0.600 -0.399 1.00 0.00 O ATOM 0 H SER A 21 6.019 -1.262 -2.369 1.00 0.00 H new ATOM 0 HA SER A 21 4.656 0.832 -0.801 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.232 1.436 -0.088 1.00 0.00 H new ATOM 0 HB3 SER A 21 6.258 0.380 0.916 1.00 0.00 H new ATOM 0 HG SER A 21 8.476 -0.338 -0.257 1.00 0.00 H new ATOM 315 N TRP A 22 5.269 2.337 -2.627 1.00 0.00 N ATOM 316 CA TRP A 22 5.615 3.252 -3.744 1.00 0.00 C ATOM 317 C TRP A 22 5.708 4.690 -3.235 1.00 0.00 C ATOM 318 O TRP A 22 6.233 4.919 -2.161 1.00 0.00 O ATOM 319 CB TRP A 22 4.536 3.124 -4.861 1.00 0.00 C ATOM 320 CG TRP A 22 3.180 3.698 -4.415 1.00 0.00 C ATOM 321 CD1 TRP A 22 2.700 4.860 -4.832 1.00 0.00 C ATOM 322 CD2 TRP A 22 2.314 3.082 -3.629 1.00 0.00 C ATOM 323 NE1 TRP A 22 1.486 4.931 -4.260 1.00 0.00 N ATOM 324 CE2 TRP A 22 1.163 3.840 -3.475 1.00 0.00 C ATOM 325 CE3 TRP A 22 2.405 1.853 -2.993 1.00 0.00 C ATOM 326 CZ2 TRP A 22 0.123 3.377 -2.691 1.00 0.00 C ATOM 327 CZ3 TRP A 22 1.362 1.397 -2.209 1.00 0.00 C ATOM 328 CH2 TRP A 22 0.224 2.158 -2.060 1.00 0.00 C ATOM 0 H TRP A 22 4.403 2.561 -2.136 1.00 0.00 H new ATOM 0 HA TRP A 22 6.586 2.980 -4.158 1.00 0.00 H new ATOM 0 HB2 TRP A 22 4.875 3.646 -5.755 1.00 0.00 H new ATOM 0 HB3 TRP A 22 4.415 2.075 -5.131 1.00 0.00 H new ATOM 0 HD1 TRP A 22 3.174 5.582 -5.481 1.00 0.00 H new ATOM 0 HE1 TRP A 22 0.857 5.722 -4.394 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.293 1.250 -3.111 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -0.770 3.973 -2.573 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 1.440 0.441 -1.712 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -0.590 1.798 -1.448 1.00 0.00 H new ATOM 339 N ASP A 23 5.210 5.637 -3.987 1.00 0.00 N ATOM 340 CA ASP A 23 5.298 7.052 -3.501 1.00 0.00 C ATOM 341 C ASP A 23 4.115 7.905 -3.952 1.00 0.00 C ATOM 342 O ASP A 23 3.648 7.790 -5.067 1.00 0.00 O ATOM 343 CB ASP A 23 6.584 7.668 -4.069 1.00 0.00 C ATOM 344 CG ASP A 23 6.685 9.128 -3.625 1.00 0.00 C ATOM 345 OD1 ASP A 23 6.167 9.953 -4.359 1.00 0.00 O ATOM 346 OD2 ASP A 23 7.274 9.335 -2.576 1.00 0.00 O ATOM 0 H ASP A 23 4.758 5.502 -4.891 1.00 0.00 H new ATOM 0 HA ASP A 23 5.293 7.034 -2.411 1.00 0.00 H new ATOM 0 HB2 ASP A 23 7.453 7.109 -3.721 1.00 0.00 H new ATOM 0 HB3 ASP A 23 6.580 7.606 -5.157 1.00 0.00 H new ATOM 351 N ALA A 24 3.666 8.765 -3.060 1.00 0.00 N ATOM 352 CA ALA A 24 2.518 9.651 -3.388 1.00 0.00 C ATOM 353 C ALA A 24 3.007 11.122 -3.575 1.00 0.00 C ATOM 354 O ALA A 24 3.775 11.608 -2.768 1.00 0.00 O ATOM 355 CB ALA A 24 1.542 9.616 -2.198 1.00 0.00 C ATOM 0 H ALA A 24 4.051 8.884 -2.123 1.00 0.00 H new ATOM 0 HA ALA A 24 2.043 9.310 -4.308 1.00 0.00 H new ATOM 0 HB1 ALA A 24 0.687 10.258 -2.410 1.00 0.00 H new ATOM 0 HB2 ALA A 24 1.198 8.594 -2.040 1.00 0.00 H new ATOM 0 HB3 ALA A 24 2.049 9.971 -1.301 1.00 0.00 H new ATOM 361 N PRO A 25 2.554 11.819 -4.639 1.00 0.00 N ATOM 362 CA PRO A 25 2.980 13.205 -4.865 1.00 0.00 C ATOM 363 C PRO A 25 2.616 14.114 -3.690 1.00 0.00 C ATOM 364 O PRO A 25 2.086 13.664 -2.693 1.00 0.00 O ATOM 365 CB PRO A 25 2.211 13.663 -6.125 1.00 0.00 C ATOM 366 CG PRO A 25 1.341 12.461 -6.603 1.00 0.00 C ATOM 367 CD PRO A 25 1.626 11.283 -5.658 1.00 0.00 C ATOM 0 HA PRO A 25 4.063 13.262 -4.978 1.00 0.00 H new ATOM 0 HB2 PRO A 25 1.583 14.525 -5.899 1.00 0.00 H new ATOM 0 HB3 PRO A 25 2.905 13.970 -6.908 1.00 0.00 H new ATOM 0 HG2 PRO A 25 0.283 12.721 -6.583 1.00 0.00 H new ATOM 0 HG3 PRO A 25 1.585 12.196 -7.632 1.00 0.00 H new ATOM 0 HD2 PRO A 25 0.708 10.915 -5.200 1.00 0.00 H new ATOM 0 HD3 PRO A 25 2.072 10.446 -6.195 1.00 0.00 H new ATOM 375 N ALA A 26 2.910 15.384 -3.839 1.00 0.00 N ATOM 376 CA ALA A 26 2.595 16.350 -2.751 1.00 0.00 C ATOM 377 C ALA A 26 1.319 17.115 -3.069 1.00 0.00 C ATOM 378 O ALA A 26 0.721 17.728 -2.205 1.00 0.00 O ATOM 379 CB ALA A 26 3.757 17.351 -2.643 1.00 0.00 C ATOM 0 H ALA A 26 3.352 15.787 -4.665 1.00 0.00 H new ATOM 0 HA ALA A 26 2.457 15.807 -1.816 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.546 18.069 -1.850 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.678 16.816 -2.412 1.00 0.00 H new ATOM 0 HB3 ALA A 26 3.872 17.879 -3.590 1.00 0.00 H new ATOM 385 N VAL A 27 0.929 17.069 -4.307 1.00 0.00 N ATOM 386 CA VAL A 27 -0.301 17.781 -4.718 1.00 0.00 C ATOM 387 C VAL A 27 -1.533 17.137 -4.096 1.00 0.00 C ATOM 388 O VAL A 27 -1.428 16.178 -3.355 1.00 0.00 O ATOM 389 CB VAL A 27 -0.412 17.682 -6.248 1.00 0.00 C ATOM 390 CG1 VAL A 27 0.989 17.775 -6.858 1.00 0.00 C ATOM 391 CG2 VAL A 27 -1.029 16.333 -6.624 1.00 0.00 C ATOM 0 H VAL A 27 1.412 16.567 -5.052 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.248 18.818 -4.387 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.037 18.492 -6.624 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.919 17.705 -7.943 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.443 18.728 -6.584 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.605 16.958 -6.481 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.109 16.259 -7.709 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.397 15.527 -6.251 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.021 16.250 -6.180 1.00 0.00 H new ATOM 401 N THR A 28 -2.677 17.683 -4.398 1.00 0.00 N ATOM 402 CA THR A 28 -3.925 17.114 -3.836 1.00 0.00 C ATOM 403 C THR A 28 -4.314 15.850 -4.597 1.00 0.00 C ATOM 404 O THR A 28 -4.918 15.915 -5.650 1.00 0.00 O ATOM 405 CB THR A 28 -5.046 18.154 -3.982 1.00 0.00 C ATOM 406 OG1 THR A 28 -4.424 19.300 -4.523 1.00 0.00 O ATOM 407 CG2 THR A 28 -5.558 18.605 -2.606 1.00 0.00 C ATOM 0 H THR A 28 -2.798 18.493 -5.006 1.00 0.00 H new ATOM 0 HA THR A 28 -3.771 16.863 -2.786 1.00 0.00 H new ATOM 0 HB THR A 28 -5.861 17.737 -4.574 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.453 19.257 -5.502 1.00 0.00 H new ATOM 0 HG21 THR A 28 -6.351 19.341 -2.736 1.00 0.00 H new ATOM 0 HG22 THR A 28 -5.948 17.744 -2.063 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.739 19.050 -2.041 1.00 0.00 H new ATOM 415 N VAL A 29 -3.954 14.721 -4.055 1.00 0.00 N ATOM 416 CA VAL A 29 -4.292 13.447 -4.733 1.00 0.00 C ATOM 417 C VAL A 29 -5.602 12.876 -4.206 1.00 0.00 C ATOM 418 O VAL A 29 -5.691 12.465 -3.066 1.00 0.00 O ATOM 419 CB VAL A 29 -3.163 12.441 -4.453 1.00 0.00 C ATOM 420 CG1 VAL A 29 -3.330 11.219 -5.361 1.00 0.00 C ATOM 421 CG2 VAL A 29 -1.816 13.105 -4.751 1.00 0.00 C ATOM 0 H VAL A 29 -3.443 14.629 -3.177 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.403 13.631 -5.802 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.202 12.129 -3.409 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.530 10.506 -5.162 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.293 10.748 -5.164 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.286 11.532 -6.404 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.010 12.398 -4.555 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.784 13.410 -5.797 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.693 13.981 -4.114 1.00 0.00 H new ATOM 431 N ARG A 30 -6.599 12.862 -5.050 1.00 0.00 N ATOM 432 CA ARG A 30 -7.909 12.322 -4.617 1.00 0.00 C ATOM 433 C ARG A 30 -7.776 10.871 -4.184 1.00 0.00 C ATOM 434 O ARG A 30 -8.008 10.541 -3.037 1.00 0.00 O ATOM 435 CB ARG A 30 -8.886 12.395 -5.804 1.00 0.00 C ATOM 436 CG ARG A 30 -9.343 13.841 -5.989 1.00 0.00 C ATOM 437 CD ARG A 30 -10.458 13.889 -7.043 1.00 0.00 C ATOM 438 NE ARG A 30 -11.756 13.559 -6.389 1.00 0.00 N ATOM 439 CZ ARG A 30 -12.600 14.518 -6.117 1.00 0.00 C ATOM 440 NH1 ARG A 30 -12.140 15.715 -5.873 1.00 0.00 N ATOM 441 NH2 ARG A 30 -13.877 14.247 -6.101 1.00 0.00 N ATOM 0 H ARG A 30 -6.559 13.199 -6.012 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.274 12.909 -3.774 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.402 12.035 -6.712 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.746 11.749 -5.623 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -9.703 14.245 -5.043 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -8.504 14.463 -6.302 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -10.506 14.879 -7.496 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -10.249 13.181 -7.845 1.00 0.00 H new ATOM 0 HE ARG A 30 -11.983 12.592 -6.156 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -11.135 15.890 -5.897 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -12.785 16.475 -5.659 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -14.200 13.300 -6.299 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -14.552 14.982 -5.891 1.00 0.00 H new ATOM 455 N TYR A 31 -7.405 10.023 -5.109 1.00 0.00 N ATOM 456 CA TYR A 31 -7.257 8.586 -4.744 1.00 0.00 C ATOM 457 C TYR A 31 -6.374 7.812 -5.747 1.00 0.00 C ATOM 458 O TYR A 31 -6.115 8.262 -6.856 1.00 0.00 O ATOM 459 CB TYR A 31 -8.663 7.935 -4.703 1.00 0.00 C ATOM 460 CG TYR A 31 -9.658 8.764 -5.528 1.00 0.00 C ATOM 461 CD1 TYR A 31 -9.307 9.244 -6.766 1.00 0.00 C ATOM 462 CD2 TYR A 31 -10.922 9.035 -5.039 1.00 0.00 C ATOM 463 CE1 TYR A 31 -10.197 9.983 -7.514 1.00 0.00 C ATOM 464 CE2 TYR A 31 -11.817 9.777 -5.789 1.00 0.00 C ATOM 465 CZ TYR A 31 -11.458 10.258 -7.032 1.00 0.00 C ATOM 466 OH TYR A 31 -12.347 11.001 -7.783 1.00 0.00 O ATOM 0 H TYR A 31 -7.202 10.258 -6.081 1.00 0.00 H new ATOM 0 HA TYR A 31 -6.769 8.538 -3.770 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -8.613 6.919 -5.095 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -9.007 7.862 -3.671 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -8.322 9.040 -7.158 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -11.212 8.666 -4.067 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -9.904 10.350 -8.487 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -12.803 9.981 -5.399 1.00 0.00 H new ATOM 0 HH TYR A 31 -13.189 11.098 -7.291 1.00 0.00 H new ATOM 476 N TYR A 32 -5.931 6.651 -5.312 1.00 0.00 N ATOM 477 CA TYR A 32 -5.064 5.792 -6.176 1.00 0.00 C ATOM 478 C TYR A 32 -5.777 4.477 -6.487 1.00 0.00 C ATOM 479 O TYR A 32 -6.779 4.162 -5.878 1.00 0.00 O ATOM 480 CB TYR A 32 -3.788 5.444 -5.377 1.00 0.00 C ATOM 481 CG TYR A 32 -2.586 6.262 -5.865 1.00 0.00 C ATOM 482 CD1 TYR A 32 -1.799 5.811 -6.913 1.00 0.00 C ATOM 483 CD2 TYR A 32 -2.229 7.430 -5.220 1.00 0.00 C ATOM 484 CE1 TYR A 32 -0.674 6.517 -7.299 1.00 0.00 C ATOM 485 CE2 TYR A 32 -1.104 8.131 -5.609 1.00 0.00 C ATOM 486 CZ TYR A 32 -0.321 7.682 -6.649 1.00 0.00 C ATOM 487 OH TYR A 32 0.799 8.384 -7.029 1.00 0.00 O ATOM 0 H TYR A 32 -6.136 6.264 -4.391 1.00 0.00 H new ATOM 0 HA TYR A 32 -4.835 6.322 -7.100 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -3.956 5.637 -4.317 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -3.572 4.380 -5.477 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.066 4.902 -7.432 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -2.834 7.798 -4.405 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -0.067 6.154 -8.115 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -0.836 9.041 -5.092 1.00 0.00 H new ATOM 0 HH TYR A 32 0.540 9.286 -7.310 1.00 0.00 H new ATOM 497 N ARG A 33 -5.245 3.733 -7.427 1.00 0.00 N ATOM 498 CA ARG A 33 -5.881 2.428 -7.786 1.00 0.00 C ATOM 499 C ARG A 33 -4.804 1.393 -8.083 1.00 0.00 C ATOM 500 O ARG A 33 -4.131 1.471 -9.092 1.00 0.00 O ATOM 501 CB ARG A 33 -6.741 2.610 -9.045 1.00 0.00 C ATOM 502 CG ARG A 33 -8.204 2.342 -8.711 1.00 0.00 C ATOM 503 CD ARG A 33 -9.048 2.546 -9.973 1.00 0.00 C ATOM 504 NE ARG A 33 -10.487 2.368 -9.628 1.00 0.00 N ATOM 505 CZ ARG A 33 -11.395 2.565 -10.546 1.00 0.00 C ATOM 506 NH1 ARG A 33 -11.080 2.371 -11.799 1.00 0.00 N ATOM 507 NH2 ARG A 33 -12.587 2.951 -10.181 1.00 0.00 N ATOM 0 H ARG A 33 -4.406 3.970 -7.956 1.00 0.00 H new ATOM 0 HA ARG A 33 -6.497 2.093 -6.952 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.626 3.622 -9.432 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -6.406 1.929 -9.828 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -8.325 1.325 -8.337 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -8.539 3.014 -7.921 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -8.879 3.542 -10.382 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -8.754 1.832 -10.742 1.00 0.00 H new ATOM 0 HE ARG A 33 -10.760 2.095 -8.684 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -10.137 2.070 -12.047 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -11.777 2.520 -12.529 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -12.797 3.094 -9.193 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -13.309 3.110 -10.884 1.00 0.00 H new ATOM 521 N ILE A 34 -4.667 0.441 -7.199 1.00 0.00 N ATOM 522 CA ILE A 34 -3.640 -0.615 -7.402 1.00 0.00 C ATOM 523 C ILE A 34 -4.278 -1.940 -7.822 1.00 0.00 C ATOM 524 O ILE A 34 -5.008 -2.548 -7.065 1.00 0.00 O ATOM 525 CB ILE A 34 -2.914 -0.806 -6.067 1.00 0.00 C ATOM 526 CG1 ILE A 34 -2.124 0.456 -5.736 1.00 0.00 C ATOM 527 CG2 ILE A 34 -1.929 -1.994 -6.188 1.00 0.00 C ATOM 528 CD1 ILE A 34 -2.556 0.971 -4.360 1.00 0.00 C ATOM 0 H ILE A 34 -5.222 0.351 -6.348 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.956 -0.312 -8.194 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.643 -1.004 -5.281 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.055 0.242 -5.739 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.299 1.219 -6.495 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.410 -2.134 -5.240 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.481 -2.900 -6.437 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.202 -1.785 -6.973 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.995 1.873 -4.117 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.622 1.199 -4.375 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.359 0.207 -3.607 1.00 0.00 H new ATOM 540 N THR A 35 -3.981 -2.357 -9.031 1.00 0.00 N ATOM 541 CA THR A 35 -4.547 -3.640 -9.545 1.00 0.00 C ATOM 542 C THR A 35 -3.436 -4.650 -9.772 1.00 0.00 C ATOM 543 O THR A 35 -2.358 -4.287 -10.203 1.00 0.00 O ATOM 544 CB THR A 35 -5.228 -3.359 -10.894 1.00 0.00 C ATOM 545 OG1 THR A 35 -4.227 -3.582 -11.867 1.00 0.00 O ATOM 546 CG2 THR A 35 -5.576 -1.869 -11.036 1.00 0.00 C ATOM 0 H THR A 35 -3.371 -1.862 -9.682 1.00 0.00 H new ATOM 0 HA THR A 35 -5.256 -4.040 -8.820 1.00 0.00 H new ATOM 0 HB THR A 35 -6.126 -3.970 -10.988 1.00 0.00 H new ATOM 0 HG1 THR A 35 -4.597 -3.421 -12.760 1.00 0.00 H new ATOM 0 HG21 THR A 35 -6.057 -1.698 -11.999 1.00 0.00 H new ATOM 0 HG22 THR A 35 -6.254 -1.576 -10.235 1.00 0.00 H new ATOM 0 HG23 THR A 35 -4.664 -1.275 -10.975 1.00 0.00 H new ATOM 554 N TYR A 36 -3.703 -5.905 -9.474 1.00 0.00 N ATOM 555 CA TYR A 36 -2.649 -6.926 -9.678 1.00 0.00 C ATOM 556 C TYR A 36 -3.235 -8.224 -10.210 1.00 0.00 C ATOM 557 O TYR A 36 -4.385 -8.550 -9.951 1.00 0.00 O ATOM 558 CB TYR A 36 -1.951 -7.200 -8.333 1.00 0.00 C ATOM 559 CG TYR A 36 -2.997 -7.432 -7.236 1.00 0.00 C ATOM 560 CD1 TYR A 36 -3.766 -6.385 -6.759 1.00 0.00 C ATOM 561 CD2 TYR A 36 -3.175 -8.690 -6.697 1.00 0.00 C ATOM 562 CE1 TYR A 36 -4.696 -6.600 -5.763 1.00 0.00 C ATOM 563 CE2 TYR A 36 -4.104 -8.901 -5.699 1.00 0.00 C ATOM 564 CZ TYR A 36 -4.871 -7.858 -5.225 1.00 0.00 C ATOM 565 OH TYR A 36 -5.796 -8.070 -4.222 1.00 0.00 O ATOM 0 H TYR A 36 -4.590 -6.250 -9.106 1.00 0.00 H new ATOM 0 HA TYR A 36 -1.936 -6.547 -10.410 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.305 -8.073 -8.421 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.314 -6.357 -8.066 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -3.637 -5.394 -7.169 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -2.582 -9.517 -7.060 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -5.293 -5.776 -5.401 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -4.231 -9.891 -5.286 1.00 0.00 H new ATOM 0 HH TYR A 36 -5.787 -9.015 -3.963 1.00 0.00 H new ATOM 575 N GLY A 37 -2.429 -8.935 -10.958 1.00 0.00 N ATOM 576 CA GLY A 37 -2.894 -10.228 -11.536 1.00 0.00 C ATOM 577 C GLY A 37 -1.761 -10.884 -12.337 1.00 0.00 C ATOM 578 O GLY A 37 -0.928 -10.206 -12.905 1.00 0.00 O ATOM 0 H GLY A 37 -1.471 -8.675 -11.192 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.220 -10.896 -10.739 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.756 -10.058 -12.182 1.00 0.00 H new ATOM 582 N GLU A 38 -1.752 -12.190 -12.360 1.00 0.00 N ATOM 583 CA GLU A 38 -0.692 -12.904 -13.109 1.00 0.00 C ATOM 584 C GLU A 38 -0.678 -12.483 -14.575 1.00 0.00 C ATOM 585 O GLU A 38 -1.694 -12.114 -15.129 1.00 0.00 O ATOM 586 CB GLU A 38 -0.975 -14.413 -13.031 1.00 0.00 C ATOM 587 CG GLU A 38 -1.898 -14.704 -11.842 1.00 0.00 C ATOM 588 CD GLU A 38 -1.817 -16.195 -11.496 1.00 0.00 C ATOM 589 OE1 GLU A 38 -2.416 -16.957 -12.238 1.00 0.00 O ATOM 590 OE2 GLU A 38 -1.159 -16.485 -10.509 1.00 0.00 O ATOM 0 H GLU A 38 -2.434 -12.787 -11.892 1.00 0.00 H new ATOM 0 HA GLU A 38 0.275 -12.661 -12.669 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.439 -14.754 -13.956 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.040 -14.963 -12.922 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.604 -14.102 -10.982 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.924 -14.430 -12.087 1.00 0.00 H new ATOM 597 N THR A 39 0.482 -12.552 -15.180 1.00 0.00 N ATOM 598 CA THR A 39 0.583 -12.160 -16.609 1.00 0.00 C ATOM 599 C THR A 39 -0.050 -13.213 -17.512 1.00 0.00 C ATOM 600 O THR A 39 0.053 -14.396 -17.258 1.00 0.00 O ATOM 601 CB THR A 39 2.068 -12.032 -16.973 1.00 0.00 C ATOM 602 OG1 THR A 39 2.434 -10.721 -16.607 1.00 0.00 O ATOM 603 CG2 THR A 39 2.264 -12.075 -18.496 1.00 0.00 C ATOM 0 H THR A 39 1.352 -12.860 -14.747 1.00 0.00 H new ATOM 0 HA THR A 39 0.058 -11.216 -16.753 1.00 0.00 H new ATOM 0 HB THR A 39 2.634 -12.830 -16.491 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.214 -10.571 -15.664 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.325 -11.982 -18.729 1.00 0.00 H new ATOM 0 HG22 THR A 39 1.888 -13.022 -18.885 1.00 0.00 H new ATOM 0 HG23 THR A 39 1.718 -11.252 -18.956 1.00 0.00 H new ATOM 611 N GLY A 40 -0.693 -12.759 -18.555 1.00 0.00 N ATOM 612 CA GLY A 40 -1.343 -13.720 -19.492 1.00 0.00 C ATOM 613 C GLY A 40 -2.423 -14.524 -18.770 1.00 0.00 C ATOM 614 O GLY A 40 -2.336 -15.735 -18.676 1.00 0.00 O ATOM 0 H GLY A 40 -0.796 -11.773 -18.797 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.783 -13.179 -20.330 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.595 -14.395 -19.907 1.00 0.00 H new ATOM 618 N GLY A 41 -3.418 -13.832 -18.271 1.00 0.00 N ATOM 619 CA GLY A 41 -4.524 -14.532 -17.546 1.00 0.00 C ATOM 620 C GLY A 41 -5.892 -14.137 -18.121 1.00 0.00 C ATOM 621 O GLY A 41 -6.012 -13.161 -18.837 1.00 0.00 O ATOM 0 H GLY A 41 -3.512 -12.818 -18.334 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -4.390 -15.611 -17.624 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -4.485 -14.282 -16.486 1.00 0.00 H new ATOM 625 N ASN A 42 -6.893 -14.915 -17.785 1.00 0.00 N ATOM 626 CA ASN A 42 -8.259 -14.626 -18.284 1.00 0.00 C ATOM 627 C ASN A 42 -9.111 -14.032 -17.169 1.00 0.00 C ATOM 628 O ASN A 42 -10.292 -13.791 -17.340 1.00 0.00 O ATOM 629 CB ASN A 42 -8.886 -15.953 -18.733 1.00 0.00 C ATOM 630 CG ASN A 42 -8.868 -16.036 -20.261 1.00 0.00 C ATOM 631 OD1 ASN A 42 -9.341 -15.154 -20.949 1.00 0.00 O ATOM 632 ND2 ASN A 42 -8.331 -17.081 -20.834 1.00 0.00 N ATOM 0 H ASN A 42 -6.815 -15.737 -17.186 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.210 -13.914 -19.108 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.334 -16.791 -18.306 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -9.910 -16.026 -18.366 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -8.311 -17.151 -21.851 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.931 -17.826 -20.264 1.00 0.00 H new ATOM 639 N SER A 43 -8.486 -13.803 -16.047 1.00 0.00 N ATOM 640 CA SER A 43 -9.215 -13.227 -14.891 1.00 0.00 C ATOM 641 C SER A 43 -8.205 -12.647 -13.865 1.00 0.00 C ATOM 642 O SER A 43 -7.632 -13.393 -13.095 1.00 0.00 O ATOM 643 CB SER A 43 -9.992 -14.366 -14.208 1.00 0.00 C ATOM 644 OG SER A 43 -8.982 -15.278 -13.795 1.00 0.00 O ATOM 0 H SER A 43 -7.497 -13.992 -15.884 1.00 0.00 H new ATOM 0 HA SER A 43 -9.883 -12.436 -15.232 1.00 0.00 H new ATOM 0 HB2 SER A 43 -10.570 -14.001 -13.359 1.00 0.00 H new ATOM 0 HB3 SER A 43 -10.696 -14.836 -14.895 1.00 0.00 H new ATOM 0 HG SER A 43 -8.461 -14.881 -13.066 1.00 0.00 H new ATOM 650 N PRO A 44 -7.997 -11.319 -13.859 1.00 0.00 N ATOM 651 CA PRO A 44 -7.055 -10.718 -12.917 1.00 0.00 C ATOM 652 C PRO A 44 -7.487 -10.942 -11.477 1.00 0.00 C ATOM 653 O PRO A 44 -8.665 -10.995 -11.178 1.00 0.00 O ATOM 654 CB PRO A 44 -7.065 -9.209 -13.243 1.00 0.00 C ATOM 655 CG PRO A 44 -8.034 -9.001 -14.447 1.00 0.00 C ATOM 656 CD PRO A 44 -8.675 -10.361 -14.755 1.00 0.00 C ATOM 0 HA PRO A 44 -6.064 -11.162 -13.014 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -7.395 -8.632 -12.380 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -6.062 -8.863 -13.493 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -8.798 -8.262 -14.203 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.493 -8.625 -15.316 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.749 -10.341 -14.570 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -8.536 -10.634 -15.801 1.00 0.00 H new ATOM 664 N VAL A 45 -6.523 -11.072 -10.607 1.00 0.00 N ATOM 665 CA VAL A 45 -6.856 -11.294 -9.182 1.00 0.00 C ATOM 666 C VAL A 45 -7.851 -10.276 -8.688 1.00 0.00 C ATOM 667 O VAL A 45 -9.017 -10.570 -8.525 1.00 0.00 O ATOM 668 CB VAL A 45 -5.584 -11.151 -8.347 1.00 0.00 C ATOM 669 CG1 VAL A 45 -5.947 -11.295 -6.874 1.00 0.00 C ATOM 670 CG2 VAL A 45 -4.594 -12.241 -8.738 1.00 0.00 C ATOM 0 H VAL A 45 -5.527 -11.034 -10.824 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.286 -12.291 -9.086 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.130 -10.176 -8.524 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.048 -11.195 -6.266 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.660 -10.518 -6.597 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.393 -12.275 -6.703 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.687 -12.139 -8.143 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.039 -13.219 -8.556 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.347 -12.146 -9.795 1.00 0.00 H new ATOM 680 N GLN A 46 -7.375 -9.094 -8.453 1.00 0.00 N ATOM 681 CA GLN A 46 -8.293 -8.036 -7.963 1.00 0.00 C ATOM 682 C GLN A 46 -7.615 -6.676 -7.938 1.00 0.00 C ATOM 683 O GLN A 46 -6.582 -6.477 -8.548 1.00 0.00 O ATOM 684 CB GLN A 46 -8.723 -8.392 -6.529 1.00 0.00 C ATOM 685 CG GLN A 46 -10.241 -8.243 -6.407 1.00 0.00 C ATOM 686 CD GLN A 46 -10.674 -8.633 -4.991 1.00 0.00 C ATOM 687 OE1 GLN A 46 -9.994 -9.366 -4.302 1.00 0.00 O ATOM 688 NE2 GLN A 46 -11.796 -8.162 -4.519 1.00 0.00 N ATOM 0 H GLN A 46 -6.402 -8.814 -8.576 1.00 0.00 H new ATOM 0 HA GLN A 46 -9.148 -7.982 -8.636 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -8.426 -9.413 -6.290 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -8.223 -7.739 -5.814 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -10.536 -7.215 -6.620 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -10.741 -8.876 -7.140 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -12.372 -7.546 -5.093 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -12.097 -8.410 -3.577 1.00 0.00 H new ATOM 697 N GLU A 47 -8.217 -5.763 -7.227 1.00 0.00 N ATOM 698 CA GLU A 47 -7.638 -4.403 -7.137 1.00 0.00 C ATOM 699 C GLU A 47 -8.374 -3.579 -6.082 1.00 0.00 C ATOM 700 O GLU A 47 -9.455 -3.937 -5.661 1.00 0.00 O ATOM 701 CB GLU A 47 -7.829 -3.716 -8.501 1.00 0.00 C ATOM 702 CG GLU A 47 -9.305 -3.325 -8.666 1.00 0.00 C ATOM 703 CD GLU A 47 -9.683 -3.378 -10.148 1.00 0.00 C ATOM 704 OE1 GLU A 47 -9.120 -2.581 -10.880 1.00 0.00 O ATOM 705 OE2 GLU A 47 -10.518 -4.212 -10.464 1.00 0.00 O ATOM 0 H GLU A 47 -9.083 -5.904 -6.707 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.585 -4.474 -6.866 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -7.196 -2.831 -8.568 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.526 -4.386 -9.305 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.938 -4.003 -8.094 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.473 -2.323 -8.272 1.00 0.00 H new ATOM 712 N PHE A 48 -7.782 -2.490 -5.671 1.00 0.00 N ATOM 713 CA PHE A 48 -8.455 -1.649 -4.650 1.00 0.00 C ATOM 714 C PHE A 48 -7.950 -0.210 -4.700 1.00 0.00 C ATOM 715 O PHE A 48 -6.886 0.064 -5.217 1.00 0.00 O ATOM 716 CB PHE A 48 -8.260 -2.229 -3.213 1.00 0.00 C ATOM 717 CG PHE A 48 -6.883 -2.911 -2.997 1.00 0.00 C ATOM 718 CD1 PHE A 48 -5.755 -2.571 -3.737 1.00 0.00 C ATOM 719 CD2 PHE A 48 -6.749 -3.851 -1.981 1.00 0.00 C ATOM 720 CE1 PHE A 48 -4.533 -3.159 -3.453 1.00 0.00 C ATOM 721 CE2 PHE A 48 -5.528 -4.427 -1.709 1.00 0.00 C ATOM 722 CZ PHE A 48 -4.424 -4.078 -2.442 1.00 0.00 C ATOM 0 H PHE A 48 -6.875 -2.153 -5.994 1.00 0.00 H new ATOM 0 HA PHE A 48 -9.520 -1.655 -4.883 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -8.375 -1.424 -2.487 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -9.050 -2.953 -3.013 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -5.832 -1.847 -4.535 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -7.613 -4.133 -1.398 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.661 -2.892 -4.032 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -5.440 -5.155 -0.916 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.467 -4.528 -2.223 1.00 0.00 H new ATOM 732 N THR A 49 -8.748 0.690 -4.168 1.00 0.00 N ATOM 733 CA THR A 49 -8.348 2.125 -4.167 1.00 0.00 C ATOM 734 C THR A 49 -8.093 2.634 -2.759 1.00 0.00 C ATOM 735 O THR A 49 -8.476 2.013 -1.788 1.00 0.00 O ATOM 736 CB THR A 49 -9.496 2.940 -4.772 1.00 0.00 C ATOM 737 OG1 THR A 49 -10.401 3.156 -3.709 1.00 0.00 O ATOM 738 CG2 THR A 49 -10.286 2.104 -5.788 1.00 0.00 C ATOM 0 H THR A 49 -9.651 0.489 -3.739 1.00 0.00 H new ATOM 0 HA THR A 49 -7.428 2.229 -4.742 1.00 0.00 H new ATOM 0 HB THR A 49 -9.101 3.839 -5.244 1.00 0.00 H new ATOM 0 HG1 THR A 49 -11.165 3.678 -4.031 1.00 0.00 H new ATOM 0 HG21 THR A 49 -11.095 2.705 -6.203 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.622 1.785 -6.591 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.703 1.227 -5.292 1.00 0.00 H new ATOM 746 N VAL A 50 -7.446 3.763 -2.680 1.00 0.00 N ATOM 747 CA VAL A 50 -7.147 4.346 -1.350 1.00 0.00 C ATOM 748 C VAL A 50 -7.018 5.884 -1.469 1.00 0.00 C ATOM 749 O VAL A 50 -6.668 6.384 -2.520 1.00 0.00 O ATOM 750 CB VAL A 50 -5.797 3.759 -0.872 1.00 0.00 C ATOM 751 CG1 VAL A 50 -5.969 2.267 -0.571 1.00 0.00 C ATOM 752 CG2 VAL A 50 -4.758 3.925 -1.977 1.00 0.00 C ATOM 0 H VAL A 50 -7.114 4.303 -3.479 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.945 4.112 -0.646 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.471 4.281 0.027 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -5.019 1.852 -0.234 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.719 2.137 0.209 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.292 1.749 -1.474 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.805 3.513 -1.645 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.090 3.397 -2.871 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.636 4.984 -2.205 1.00 0.00 H new ATOM 762 N PRO A 51 -7.301 6.623 -0.387 1.00 0.00 N ATOM 763 CA PRO A 51 -7.203 8.089 -0.422 1.00 0.00 C ATOM 764 C PRO A 51 -5.793 8.578 -0.797 1.00 0.00 C ATOM 765 O PRO A 51 -5.484 9.742 -0.638 1.00 0.00 O ATOM 766 CB PRO A 51 -7.535 8.546 1.016 1.00 0.00 C ATOM 767 CG PRO A 51 -7.819 7.266 1.861 1.00 0.00 C ATOM 768 CD PRO A 51 -7.748 6.063 0.908 1.00 0.00 C ATOM 0 HA PRO A 51 -7.876 8.496 -1.176 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -6.704 9.109 1.441 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -8.402 9.207 1.018 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -7.087 7.165 2.663 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -8.801 7.326 2.331 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -7.050 5.311 1.274 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -8.719 5.577 0.813 1.00 0.00 H new ATOM 776 N GLY A 52 -4.966 7.689 -1.288 1.00 0.00 N ATOM 777 CA GLY A 52 -3.586 8.108 -1.669 1.00 0.00 C ATOM 778 C GLY A 52 -2.851 8.684 -0.459 1.00 0.00 C ATOM 779 O GLY A 52 -1.752 9.189 -0.581 1.00 0.00 O ATOM 0 H GLY A 52 -5.184 6.704 -1.439 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.036 7.254 -2.064 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.632 8.853 -2.463 1.00 0.00 H new ATOM 783 N SER A 53 -3.472 8.598 0.684 1.00 0.00 N ATOM 784 CA SER A 53 -2.828 9.134 1.903 1.00 0.00 C ATOM 785 C SER A 53 -1.682 8.236 2.352 1.00 0.00 C ATOM 786 O SER A 53 -0.702 8.704 2.897 1.00 0.00 O ATOM 787 CB SER A 53 -3.882 9.184 3.020 1.00 0.00 C ATOM 788 OG SER A 53 -4.138 10.569 3.196 1.00 0.00 O ATOM 0 H SER A 53 -4.393 8.181 0.821 1.00 0.00 H new ATOM 0 HA SER A 53 -2.430 10.126 1.690 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.786 8.645 2.739 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.511 8.728 3.938 1.00 0.00 H new ATOM 0 HG SER A 53 -4.810 10.691 3.899 1.00 0.00 H new ATOM 794 N LYS A 54 -1.825 6.959 2.109 1.00 0.00 N ATOM 795 CA LYS A 54 -0.756 6.010 2.512 1.00 0.00 C ATOM 796 C LYS A 54 0.163 5.689 1.340 1.00 0.00 C ATOM 797 O LYS A 54 -0.292 5.476 0.234 1.00 0.00 O ATOM 798 CB LYS A 54 -1.422 4.709 2.983 1.00 0.00 C ATOM 799 CG LYS A 54 -2.019 4.921 4.376 1.00 0.00 C ATOM 800 CD LYS A 54 -2.541 3.585 4.903 1.00 0.00 C ATOM 801 CE LYS A 54 -2.952 3.749 6.366 1.00 0.00 C ATOM 802 NZ LYS A 54 -3.285 2.425 6.962 1.00 0.00 N ATOM 0 H LYS A 54 -2.633 6.538 1.651 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.161 6.463 3.305 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -2.202 4.412 2.282 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.691 3.901 3.007 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.264 5.323 5.052 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -2.828 5.650 4.332 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.392 3.253 4.308 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.771 2.819 4.813 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.143 4.215 6.928 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.813 4.414 6.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.562 2.552 7.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.072 1.995 6.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.453 1.802 6.911 1.00 0.00 H new ATOM 816 N SER A 55 1.441 5.656 1.603 1.00 0.00 N ATOM 817 CA SER A 55 2.400 5.349 0.514 1.00 0.00 C ATOM 818 C SER A 55 2.718 3.862 0.489 1.00 0.00 C ATOM 819 O SER A 55 3.490 3.403 -0.330 1.00 0.00 O ATOM 820 CB SER A 55 3.698 6.130 0.771 1.00 0.00 C ATOM 821 OG SER A 55 3.330 7.487 0.578 1.00 0.00 O ATOM 0 H SER A 55 1.856 5.827 2.519 1.00 0.00 H new ATOM 0 HA SER A 55 1.960 5.633 -0.442 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.073 5.958 1.780 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.487 5.829 0.082 1.00 0.00 H new ATOM 0 HG SER A 55 4.110 8.062 0.726 1.00 0.00 H new ATOM 827 N THR A 56 2.112 3.139 1.394 1.00 0.00 N ATOM 828 CA THR A 56 2.352 1.675 1.456 1.00 0.00 C ATOM 829 C THR A 56 1.042 0.933 1.651 1.00 0.00 C ATOM 830 O THR A 56 0.054 1.514 2.054 1.00 0.00 O ATOM 831 CB THR A 56 3.263 1.382 2.652 1.00 0.00 C ATOM 832 OG1 THR A 56 2.536 1.803 3.789 1.00 0.00 O ATOM 833 CG2 THR A 56 4.504 2.285 2.627 1.00 0.00 C ATOM 0 H THR A 56 1.462 3.503 2.091 1.00 0.00 H new ATOM 0 HA THR A 56 2.813 1.347 0.525 1.00 0.00 H new ATOM 0 HB THR A 56 3.556 0.332 2.645 1.00 0.00 H new ATOM 0 HG1 THR A 56 3.068 1.640 4.596 1.00 0.00 H new ATOM 0 HG21 THR A 56 5.136 2.059 3.486 1.00 0.00 H new ATOM 0 HG22 THR A 56 5.064 2.109 1.708 1.00 0.00 H new ATOM 0 HG23 THR A 56 4.195 3.329 2.669 1.00 0.00 H new ATOM 841 N ALA A 57 1.048 -0.339 1.360 1.00 0.00 N ATOM 842 CA ALA A 57 -0.200 -1.117 1.529 1.00 0.00 C ATOM 843 C ALA A 57 0.071 -2.616 1.547 1.00 0.00 C ATOM 844 O ALA A 57 0.943 -3.112 0.847 1.00 0.00 O ATOM 845 CB ALA A 57 -1.133 -0.798 0.350 1.00 0.00 C ATOM 0 H ALA A 57 1.853 -0.863 1.018 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.653 -0.842 2.481 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.059 -1.362 0.456 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.357 0.269 0.341 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.645 -1.074 -0.585 1.00 0.00 H new ATOM 851 N THR A 58 -0.686 -3.313 2.355 1.00 0.00 N ATOM 852 CA THR A 58 -0.507 -4.780 2.449 1.00 0.00 C ATOM 853 C THR A 58 -1.490 -5.485 1.520 1.00 0.00 C ATOM 854 O THR A 58 -2.588 -5.008 1.301 1.00 0.00 O ATOM 855 CB THR A 58 -0.786 -5.215 3.894 1.00 0.00 C ATOM 856 OG1 THR A 58 0.213 -4.584 4.672 1.00 0.00 O ATOM 857 CG2 THR A 58 -0.523 -6.717 4.076 1.00 0.00 C ATOM 0 H THR A 58 -1.417 -2.924 2.950 1.00 0.00 H new ATOM 0 HA THR A 58 0.511 -5.043 2.160 1.00 0.00 H new ATOM 0 HB THR A 58 -1.815 -4.973 4.159 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.091 -4.820 5.615 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.728 -7.000 5.109 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.172 -7.284 3.409 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.519 -6.935 3.840 1.00 0.00 H new ATOM 865 N ILE A 59 -1.081 -6.608 0.992 1.00 0.00 N ATOM 866 CA ILE A 59 -1.979 -7.361 0.074 1.00 0.00 C ATOM 867 C ILE A 59 -1.894 -8.859 0.347 1.00 0.00 C ATOM 868 O ILE A 59 -0.884 -9.353 0.812 1.00 0.00 O ATOM 869 CB ILE A 59 -1.512 -7.074 -1.365 1.00 0.00 C ATOM 870 CG1 ILE A 59 -2.661 -7.298 -2.364 1.00 0.00 C ATOM 871 CG2 ILE A 59 -0.347 -8.032 -1.706 1.00 0.00 C ATOM 872 CD1 ILE A 59 -2.278 -6.700 -3.731 1.00 0.00 C ATOM 0 H ILE A 59 -0.169 -7.033 1.157 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.013 -7.049 0.223 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.188 -6.036 -1.436 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.866 -8.364 -2.466 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -3.574 -6.832 -1.994 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.005 -7.841 -2.723 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.475 -7.867 -1.010 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -0.689 -9.064 -1.626 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -3.092 -6.859 -4.438 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -2.095 -5.631 -3.622 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.376 -7.187 -4.101 1.00 0.00 H new ATOM 884 N SER A 60 -2.952 -9.555 0.051 1.00 0.00 N ATOM 885 CA SER A 60 -2.951 -11.011 0.285 1.00 0.00 C ATOM 886 C SER A 60 -3.855 -11.720 -0.718 1.00 0.00 C ATOM 887 O SER A 60 -4.677 -11.097 -1.362 1.00 0.00 O ATOM 888 CB SER A 60 -3.492 -11.262 1.701 1.00 0.00 C ATOM 889 OG SER A 60 -2.498 -12.061 2.318 1.00 0.00 O ATOM 0 H SER A 60 -3.813 -9.175 -0.342 1.00 0.00 H new ATOM 0 HA SER A 60 -1.937 -11.396 0.172 1.00 0.00 H new ATOM 0 HB2 SER A 60 -3.643 -10.327 2.241 1.00 0.00 H new ATOM 0 HB3 SER A 60 -4.454 -11.774 1.675 1.00 0.00 H new ATOM 0 HG SER A 60 -2.159 -12.717 1.673 1.00 0.00 H new ATOM 895 N GLY A 61 -3.684 -13.010 -0.833 1.00 0.00 N ATOM 896 CA GLY A 61 -4.528 -13.781 -1.793 1.00 0.00 C ATOM 897 C GLY A 61 -3.759 -14.060 -3.088 1.00 0.00 C ATOM 898 O GLY A 61 -4.343 -14.109 -4.155 1.00 0.00 O ATOM 0 H GLY A 61 -3.003 -13.560 -0.309 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.837 -14.722 -1.338 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.436 -13.221 -2.017 1.00 0.00 H new ATOM 902 N LEU A 62 -2.461 -14.235 -2.965 1.00 0.00 N ATOM 903 CA LEU A 62 -1.627 -14.514 -4.170 1.00 0.00 C ATOM 904 C LEU A 62 -0.951 -15.879 -4.051 1.00 0.00 C ATOM 905 O LEU A 62 -1.407 -16.733 -3.317 1.00 0.00 O ATOM 906 CB LEU A 62 -0.546 -13.418 -4.271 1.00 0.00 C ATOM 907 CG LEU A 62 0.264 -13.376 -2.972 1.00 0.00 C ATOM 908 CD1 LEU A 62 1.749 -13.526 -3.298 1.00 0.00 C ATOM 909 CD2 LEU A 62 0.040 -12.030 -2.290 1.00 0.00 C ATOM 0 H LEU A 62 -1.950 -14.196 -2.083 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.259 -14.518 -5.058 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.113 -13.619 -5.116 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.011 -12.449 -4.453 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.053 -14.186 -2.315 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.329 -13.497 -2.375 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.917 -14.478 -3.802 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.063 -12.711 -3.950 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.613 -11.992 -1.364 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.366 -11.228 -2.952 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.020 -11.907 -2.066 1.00 0.00 H new ATOM 921 N LYS A 63 0.127 -16.063 -4.770 1.00 0.00 N ATOM 922 CA LYS A 63 0.832 -17.368 -4.701 1.00 0.00 C ATOM 923 C LYS A 63 2.356 -17.178 -4.967 1.00 0.00 C ATOM 924 O LYS A 63 2.731 -16.370 -5.793 1.00 0.00 O ATOM 925 CB LYS A 63 0.248 -18.285 -5.793 1.00 0.00 C ATOM 926 CG LYS A 63 -0.682 -19.321 -5.144 1.00 0.00 C ATOM 927 CD LYS A 63 -1.567 -19.949 -6.226 1.00 0.00 C ATOM 928 CE LYS A 63 -1.997 -21.350 -5.779 1.00 0.00 C ATOM 929 NZ LYS A 63 -2.333 -21.357 -4.328 1.00 0.00 N ATOM 0 H LYS A 63 0.542 -15.371 -5.394 1.00 0.00 H new ATOM 0 HA LYS A 63 0.699 -17.802 -3.710 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.302 -17.693 -6.524 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.052 -18.788 -6.330 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.095 -20.092 -4.644 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.300 -18.846 -4.382 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.444 -19.326 -6.402 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.023 -20.007 -7.169 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.861 -21.674 -6.359 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.196 -22.062 -5.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.996 -22.133 -4.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.465 -21.492 -3.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.773 -20.451 -4.069 1.00 0.00 H new ATOM 943 N PRO A 64 3.221 -17.929 -4.257 1.00 0.00 N ATOM 944 CA PRO A 64 4.672 -17.805 -4.454 1.00 0.00 C ATOM 945 C PRO A 64 5.124 -18.300 -5.830 1.00 0.00 C ATOM 946 O PRO A 64 4.427 -19.041 -6.495 1.00 0.00 O ATOM 947 CB PRO A 64 5.296 -18.725 -3.382 1.00 0.00 C ATOM 948 CG PRO A 64 4.136 -19.545 -2.747 1.00 0.00 C ATOM 949 CD PRO A 64 2.824 -18.909 -3.222 1.00 0.00 C ATOM 0 HA PRO A 64 4.972 -16.760 -4.380 1.00 0.00 H new ATOM 0 HB2 PRO A 64 6.037 -19.389 -3.828 1.00 0.00 H new ATOM 0 HB3 PRO A 64 5.812 -18.137 -2.623 1.00 0.00 H new ATOM 0 HG2 PRO A 64 4.191 -20.590 -3.052 1.00 0.00 H new ATOM 0 HG3 PRO A 64 4.202 -19.527 -1.659 1.00 0.00 H new ATOM 0 HD2 PRO A 64 2.147 -19.660 -3.630 1.00 0.00 H new ATOM 0 HD3 PRO A 64 2.301 -18.422 -2.399 1.00 0.00 H new ATOM 957 N GLY A 65 6.295 -17.868 -6.220 1.00 0.00 N ATOM 958 CA GLY A 65 6.853 -18.280 -7.542 1.00 0.00 C ATOM 959 C GLY A 65 5.836 -18.127 -8.668 1.00 0.00 C ATOM 960 O GLY A 65 5.226 -19.089 -9.091 1.00 0.00 O ATOM 0 H GLY A 65 6.892 -17.244 -5.677 1.00 0.00 H new ATOM 0 HA2 GLY A 65 7.734 -17.679 -7.766 1.00 0.00 H new ATOM 0 HA3 GLY A 65 7.181 -19.318 -7.489 1.00 0.00 H new ATOM 964 N VAL A 66 5.671 -16.922 -9.137 1.00 0.00 N ATOM 965 CA VAL A 66 4.700 -16.706 -10.235 1.00 0.00 C ATOM 966 C VAL A 66 4.809 -15.291 -10.804 1.00 0.00 C ATOM 967 O VAL A 66 4.894 -14.324 -10.070 1.00 0.00 O ATOM 968 CB VAL A 66 3.273 -16.930 -9.688 1.00 0.00 C ATOM 969 CG1 VAL A 66 2.774 -15.661 -8.990 1.00 0.00 C ATOM 970 CG2 VAL A 66 2.338 -17.264 -10.854 1.00 0.00 C ATOM 0 H VAL A 66 6.161 -16.089 -8.810 1.00 0.00 H new ATOM 0 HA VAL A 66 4.919 -17.410 -11.038 1.00 0.00 H new ATOM 0 HB VAL A 66 3.286 -17.751 -8.971 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.767 -15.828 -8.607 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.440 -15.415 -8.163 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.759 -14.836 -9.702 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.328 -17.424 -10.476 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.333 -16.438 -11.565 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.686 -18.169 -11.352 1.00 0.00 H new ATOM 980 N ASP A 67 4.821 -15.204 -12.110 1.00 0.00 N ATOM 981 CA ASP A 67 4.920 -13.875 -12.757 1.00 0.00 C ATOM 982 C ASP A 67 3.767 -12.996 -12.309 1.00 0.00 C ATOM 983 O ASP A 67 2.617 -13.352 -12.489 1.00 0.00 O ATOM 984 CB ASP A 67 4.840 -14.072 -14.281 1.00 0.00 C ATOM 985 CG ASP A 67 5.805 -13.103 -14.968 1.00 0.00 C ATOM 986 OD1 ASP A 67 5.629 -11.915 -14.748 1.00 0.00 O ATOM 987 OD2 ASP A 67 6.665 -13.606 -15.674 1.00 0.00 O ATOM 0 H ASP A 67 4.766 -15.997 -12.749 1.00 0.00 H new ATOM 0 HA ASP A 67 5.860 -13.398 -12.480 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.093 -15.100 -14.540 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.822 -13.897 -14.629 1.00 0.00 H new ATOM 992 N TYR A 68 4.091 -11.863 -11.733 1.00 0.00 N ATOM 993 CA TYR A 68 3.023 -10.947 -11.261 1.00 0.00 C ATOM 994 C TYR A 68 3.134 -9.571 -11.899 1.00 0.00 C ATOM 995 O TYR A 68 4.191 -8.969 -11.912 1.00 0.00 O ATOM 996 CB TYR A 68 3.181 -10.792 -9.748 1.00 0.00 C ATOM 997 CG TYR A 68 2.038 -11.525 -9.046 1.00 0.00 C ATOM 998 CD1 TYR A 68 0.731 -11.129 -9.239 1.00 0.00 C ATOM 999 CD2 TYR A 68 2.295 -12.603 -8.220 1.00 0.00 C ATOM 1000 CE1 TYR A 68 -0.300 -11.796 -8.620 1.00 0.00 C ATOM 1001 CE2 TYR A 68 1.262 -13.269 -7.600 1.00 0.00 C ATOM 1002 CZ TYR A 68 -0.044 -12.874 -7.796 1.00 0.00 C ATOM 1003 OH TYR A 68 -1.080 -13.552 -7.187 1.00 0.00 O ATOM 0 H TYR A 68 5.045 -11.540 -11.573 1.00 0.00 H new ATOM 0 HA TYR A 68 2.055 -11.367 -11.533 1.00 0.00 H new ATOM 0 HB2 TYR A 68 4.141 -11.197 -9.427 1.00 0.00 H new ATOM 0 HB3 TYR A 68 3.174 -9.737 -9.476 1.00 0.00 H new ATOM 0 HD1 TYR A 68 0.516 -10.288 -9.882 1.00 0.00 H new ATOM 0 HD2 TYR A 68 3.313 -12.925 -8.060 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -1.318 -11.474 -8.780 1.00 0.00 H new ATOM 0 HE2 TYR A 68 1.477 -14.108 -6.955 1.00 0.00 H new ATOM 0 HH TYR A 68 -0.827 -14.490 -7.061 1.00 0.00 H new ATOM 1013 N THR A 69 2.024 -9.102 -12.413 1.00 0.00 N ATOM 1014 CA THR A 69 2.004 -7.765 -13.061 1.00 0.00 C ATOM 1015 C THR A 69 1.168 -6.808 -12.228 1.00 0.00 C ATOM 1016 O THR A 69 -0.010 -7.039 -12.016 1.00 0.00 O ATOM 1017 CB THR A 69 1.368 -7.900 -14.450 1.00 0.00 C ATOM 1018 OG1 THR A 69 1.897 -9.090 -14.989 1.00 0.00 O ATOM 1019 CG2 THR A 69 1.871 -6.797 -15.393 1.00 0.00 C ATOM 0 H THR A 69 1.130 -9.593 -12.409 1.00 0.00 H new ATOM 0 HA THR A 69 3.021 -7.382 -13.145 1.00 0.00 H new ATOM 0 HB THR A 69 0.282 -7.863 -14.362 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.926 -9.022 -15.966 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.405 -6.915 -16.372 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.611 -5.821 -14.983 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.954 -6.871 -15.495 1.00 0.00 H new ATOM 1027 N ILE A 70 1.792 -5.750 -11.767 1.00 0.00 N ATOM 1028 CA ILE A 70 1.053 -4.753 -10.936 1.00 0.00 C ATOM 1029 C ILE A 70 0.919 -3.434 -11.676 1.00 0.00 C ATOM 1030 O ILE A 70 1.814 -3.027 -12.390 1.00 0.00 O ATOM 1031 CB ILE A 70 1.850 -4.542 -9.624 1.00 0.00 C ATOM 1032 CG1 ILE A 70 1.868 -3.047 -9.214 1.00 0.00 C ATOM 1033 CG2 ILE A 70 3.299 -5.016 -9.863 1.00 0.00 C ATOM 1034 CD1 ILE A 70 2.515 -2.889 -7.827 1.00 0.00 C ATOM 0 H ILE A 70 2.776 -5.536 -11.930 1.00 0.00 H new ATOM 0 HA ILE A 70 0.050 -5.121 -10.721 1.00 0.00 H new ATOM 0 HB ILE A 70 1.376 -5.108 -8.823 1.00 0.00 H new ATOM 0 HG12 ILE A 70 2.422 -2.466 -9.951 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.852 -2.654 -9.197 1.00 0.00 H new ATOM 0 HG21 ILE A 70 3.882 -4.878 -8.952 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.296 -6.071 -10.135 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.744 -4.434 -10.670 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.523 -1.836 -7.547 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.943 -3.455 -7.092 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.538 -3.264 -7.858 1.00 0.00 H new ATOM 1046 N THR A 71 -0.197 -2.788 -11.482 1.00 0.00 N ATOM 1047 CA THR A 71 -0.427 -1.487 -12.157 1.00 0.00 C ATOM 1048 C THR A 71 -1.008 -0.487 -11.180 1.00 0.00 C ATOM 1049 O THR A 71 -1.942 -0.798 -10.467 1.00 0.00 O ATOM 1050 CB THR A 71 -1.430 -1.702 -13.300 1.00 0.00 C ATOM 1051 OG1 THR A 71 -0.847 -2.684 -14.131 1.00 0.00 O ATOM 1052 CG2 THR A 71 -1.534 -0.452 -14.191 1.00 0.00 C ATOM 0 H THR A 71 -0.959 -3.108 -10.884 1.00 0.00 H new ATOM 0 HA THR A 71 0.519 -1.104 -12.539 1.00 0.00 H new ATOM 0 HB THR A 71 -2.406 -1.954 -12.886 1.00 0.00 H new ATOM 0 HG1 THR A 71 -1.444 -2.870 -14.886 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.251 -0.634 -14.991 1.00 0.00 H new ATOM 0 HG22 THR A 71 -1.867 0.395 -13.592 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.558 -0.230 -14.622 1.00 0.00 H new ATOM 1060 N VAL A 72 -0.442 0.701 -11.157 1.00 0.00 N ATOM 1061 CA VAL A 72 -0.960 1.740 -10.221 1.00 0.00 C ATOM 1062 C VAL A 72 -1.475 2.941 -10.995 1.00 0.00 C ATOM 1063 O VAL A 72 -0.778 3.511 -11.830 1.00 0.00 O ATOM 1064 CB VAL A 72 0.174 2.181 -9.268 1.00 0.00 C ATOM 1065 CG1 VAL A 72 0.667 0.966 -8.477 1.00 0.00 C ATOM 1066 CG2 VAL A 72 1.326 2.751 -10.079 1.00 0.00 C ATOM 0 H VAL A 72 0.345 0.988 -11.739 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.783 1.319 -9.643 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.200 2.942 -8.583 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.467 1.271 -7.803 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.157 0.550 -7.897 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.042 0.210 -9.167 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.126 3.062 -9.407 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.702 1.989 -10.762 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.978 3.611 -10.651 1.00 0.00 H new ATOM 1076 N TYR A 73 -2.701 3.290 -10.714 1.00 0.00 N ATOM 1077 CA TYR A 73 -3.327 4.444 -11.398 1.00 0.00 C ATOM 1078 C TYR A 73 -3.375 5.649 -10.470 1.00 0.00 C ATOM 1079 O TYR A 73 -4.182 5.699 -9.559 1.00 0.00 O ATOM 1080 CB TYR A 73 -4.772 4.055 -11.737 1.00 0.00 C ATOM 1081 CG TYR A 73 -4.876 3.556 -13.175 1.00 0.00 C ATOM 1082 CD1 TYR A 73 -4.367 2.323 -13.527 1.00 0.00 C ATOM 1083 CD2 TYR A 73 -5.529 4.307 -14.131 1.00 0.00 C ATOM 1084 CE1 TYR A 73 -4.513 1.846 -14.812 1.00 0.00 C ATOM 1085 CE2 TYR A 73 -5.677 3.831 -15.414 1.00 0.00 C ATOM 1086 CZ TYR A 73 -5.170 2.597 -15.768 1.00 0.00 C ATOM 1087 OH TYR A 73 -5.312 2.123 -17.056 1.00 0.00 O ATOM 0 H TYR A 73 -3.296 2.818 -10.033 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.751 4.696 -12.288 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -5.115 3.279 -11.052 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.427 4.915 -11.598 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -3.850 1.727 -12.790 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -5.927 5.276 -13.870 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -4.111 0.878 -15.074 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -6.194 4.428 -16.150 1.00 0.00 H new ATOM 0 HH TYR A 73 -5.800 2.780 -17.594 1.00 0.00 H new ATOM 1097 N ALA A 74 -2.516 6.594 -10.703 1.00 0.00 N ATOM 1098 CA ALA A 74 -2.513 7.795 -9.835 1.00 0.00 C ATOM 1099 C ALA A 74 -3.545 8.793 -10.330 1.00 0.00 C ATOM 1100 O ALA A 74 -3.264 9.590 -11.201 1.00 0.00 O ATOM 1101 CB ALA A 74 -1.122 8.443 -9.906 1.00 0.00 C ATOM 0 H ALA A 74 -1.822 6.588 -11.450 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.752 7.508 -8.811 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.101 9.330 -9.272 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.371 7.732 -9.560 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -0.905 8.728 -10.936 1.00 0.00 H new ATOM 1107 N VAL A 75 -4.727 8.742 -9.764 1.00 0.00 N ATOM 1108 CA VAL A 75 -5.781 9.689 -10.206 1.00 0.00 C ATOM 1109 C VAL A 75 -5.847 10.904 -9.287 1.00 0.00 C ATOM 1110 O VAL A 75 -6.283 10.813 -8.150 1.00 0.00 O ATOM 1111 CB VAL A 75 -7.130 8.950 -10.181 1.00 0.00 C ATOM 1112 CG1 VAL A 75 -8.230 9.869 -10.724 1.00 0.00 C ATOM 1113 CG2 VAL A 75 -7.037 7.710 -11.069 1.00 0.00 C ATOM 0 H VAL A 75 -4.999 8.093 -9.026 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.551 10.042 -11.211 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.367 8.661 -9.157 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -9.185 9.344 -10.706 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.296 10.763 -10.104 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.993 10.154 -11.749 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.990 7.181 -11.056 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.803 8.011 -12.090 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.252 7.053 -10.695 1.00 0.00 H new ATOM 1123 N THR A 76 -5.407 12.026 -9.801 1.00 0.00 N ATOM 1124 CA THR A 76 -5.429 13.265 -8.991 1.00 0.00 C ATOM 1125 C THR A 76 -6.700 14.062 -9.262 1.00 0.00 C ATOM 1126 O THR A 76 -7.638 14.022 -8.490 1.00 0.00 O ATOM 1127 CB THR A 76 -4.199 14.114 -9.371 1.00 0.00 C ATOM 1128 OG1 THR A 76 -4.264 14.277 -10.771 1.00 0.00 O ATOM 1129 CG2 THR A 76 -2.901 13.325 -9.147 1.00 0.00 C ATOM 0 H THR A 76 -5.036 12.129 -10.745 1.00 0.00 H new ATOM 0 HA THR A 76 -5.406 13.007 -7.932 1.00 0.00 H new ATOM 0 HB THR A 76 -4.201 15.035 -8.789 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.502 14.815 -11.073 1.00 0.00 H new ATOM 0 HG21 THR A 76 -2.047 13.944 -9.422 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.823 13.044 -8.097 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.911 12.426 -9.763 1.00 0.00 H new ATOM 1137 N GLY A 77 -6.709 14.766 -10.351 1.00 0.00 N ATOM 1138 CA GLY A 77 -7.912 15.576 -10.695 1.00 0.00 C ATOM 1139 C GLY A 77 -7.998 16.820 -9.810 1.00 0.00 C ATOM 1140 O GLY A 77 -7.460 16.844 -8.720 1.00 0.00 O ATOM 0 H GLY A 77 -5.940 14.819 -11.020 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -7.870 15.872 -11.743 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -8.811 14.972 -10.570 1.00 0.00 H new ATOM 1144 N ARG A 78 -8.677 17.832 -10.307 1.00 0.00 N ATOM 1145 CA ARG A 78 -8.819 19.090 -9.520 1.00 0.00 C ATOM 1146 C ARG A 78 -10.283 19.394 -9.235 1.00 0.00 C ATOM 1147 O ARG A 78 -10.774 19.102 -8.162 1.00 0.00 O ATOM 1148 CB ARG A 78 -8.208 20.259 -10.330 1.00 0.00 C ATOM 1149 CG ARG A 78 -6.658 20.199 -10.249 1.00 0.00 C ATOM 1150 CD ARG A 78 -6.068 21.591 -10.521 1.00 0.00 C ATOM 1151 NE ARG A 78 -6.289 21.937 -11.949 1.00 0.00 N ATOM 1152 CZ ARG A 78 -6.142 23.175 -12.337 1.00 0.00 C ATOM 1153 NH1 ARG A 78 -6.754 24.120 -11.675 1.00 0.00 N ATOM 1154 NH2 ARG A 78 -5.385 23.422 -13.370 1.00 0.00 N ATOM 0 H ARG A 78 -9.134 17.835 -11.219 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.300 18.968 -8.569 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -8.530 20.201 -11.370 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.566 21.211 -9.938 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -6.350 19.849 -9.264 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -6.274 19.483 -10.976 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -6.539 22.333 -9.876 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -5.002 21.600 -10.291 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.553 21.215 -12.619 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -7.335 23.885 -10.870 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -6.651 25.093 -11.963 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -4.922 22.655 -13.858 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -5.256 24.382 -13.690 1.00 0.00 H new ATOM 1168 N GLY A 79 -10.959 19.971 -10.194 1.00 0.00 N ATOM 1169 CA GLY A 79 -12.410 20.295 -9.966 1.00 0.00 C ATOM 1170 C GLY A 79 -13.267 20.089 -11.223 1.00 0.00 C ATOM 1171 O GLY A 79 -14.480 20.081 -11.139 1.00 0.00 O ATOM 0 H GLY A 79 -10.586 20.229 -11.107 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -12.796 19.669 -9.161 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -12.500 21.330 -9.636 1.00 0.00 H new ATOM 1175 N ASP A 80 -12.643 19.923 -12.357 1.00 0.00 N ATOM 1176 CA ASP A 80 -13.458 19.721 -13.595 1.00 0.00 C ATOM 1177 C ASP A 80 -12.727 18.870 -14.642 1.00 0.00 C ATOM 1178 O ASP A 80 -12.976 17.687 -14.758 1.00 0.00 O ATOM 1179 CB ASP A 80 -13.775 21.108 -14.198 1.00 0.00 C ATOM 1180 CG ASP A 80 -15.266 21.403 -14.023 1.00 0.00 C ATOM 1181 OD1 ASP A 80 -16.015 20.903 -14.845 1.00 0.00 O ATOM 1182 OD2 ASP A 80 -15.573 22.111 -13.077 1.00 0.00 O ATOM 0 H ASP A 80 -11.631 19.918 -12.483 1.00 0.00 H new ATOM 0 HA ASP A 80 -14.368 19.188 -13.322 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -13.180 21.877 -13.705 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -13.510 21.128 -15.255 1.00 0.00 H new ATOM 1187 N SER A 81 -11.841 19.481 -15.381 1.00 0.00 N ATOM 1188 CA SER A 81 -11.100 18.714 -16.415 1.00 0.00 C ATOM 1189 C SER A 81 -10.506 17.403 -15.825 1.00 0.00 C ATOM 1190 O SER A 81 -9.608 17.465 -15.013 1.00 0.00 O ATOM 1191 CB SER A 81 -9.931 19.587 -16.902 1.00 0.00 C ATOM 1192 OG SER A 81 -9.409 18.876 -18.018 1.00 0.00 O ATOM 0 H SER A 81 -11.602 20.470 -15.313 1.00 0.00 H new ATOM 0 HA SER A 81 -11.785 18.457 -17.223 1.00 0.00 H new ATOM 0 HB2 SER A 81 -10.269 20.583 -17.187 1.00 0.00 H new ATOM 0 HB3 SER A 81 -9.179 19.716 -16.124 1.00 0.00 H new ATOM 0 HG SER A 81 -8.651 19.370 -18.395 1.00 0.00 H new ATOM 1198 N PRO A 82 -11.017 16.220 -16.233 1.00 0.00 N ATOM 1199 CA PRO A 82 -10.483 14.971 -15.703 1.00 0.00 C ATOM 1200 C PRO A 82 -9.002 14.825 -16.068 1.00 0.00 C ATOM 1201 O PRO A 82 -8.654 14.256 -17.084 1.00 0.00 O ATOM 1202 CB PRO A 82 -11.327 13.851 -16.369 1.00 0.00 C ATOM 1203 CG PRO A 82 -12.380 14.547 -17.281 1.00 0.00 C ATOM 1204 CD PRO A 82 -12.124 16.061 -17.204 1.00 0.00 C ATOM 0 HA PRO A 82 -10.543 14.929 -14.615 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -10.691 13.187 -16.954 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -11.818 13.238 -15.613 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -12.291 14.194 -18.309 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -13.391 14.311 -16.949 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -11.853 16.464 -18.180 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -13.016 16.595 -16.875 1.00 0.00 H new ATOM 1212 N ALA A 83 -8.158 15.360 -15.232 1.00 0.00 N ATOM 1213 CA ALA A 83 -6.703 15.271 -15.503 1.00 0.00 C ATOM 1214 C ALA A 83 -6.236 13.825 -15.501 1.00 0.00 C ATOM 1215 O ALA A 83 -5.690 13.349 -14.527 1.00 0.00 O ATOM 1216 CB ALA A 83 -5.956 16.029 -14.394 1.00 0.00 C ATOM 0 H ALA A 83 -8.414 15.853 -14.376 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.500 15.702 -16.483 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.883 15.975 -14.576 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -6.271 17.072 -14.390 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -6.184 15.578 -13.428 1.00 0.00 H new ATOM 1222 N SER A 84 -6.455 13.145 -16.595 1.00 0.00 N ATOM 1223 CA SER A 84 -6.023 11.730 -16.661 1.00 0.00 C ATOM 1224 C SER A 84 -4.521 11.630 -16.442 1.00 0.00 C ATOM 1225 O SER A 84 -3.741 11.914 -17.326 1.00 0.00 O ATOM 1226 CB SER A 84 -6.363 11.180 -18.053 1.00 0.00 C ATOM 1227 OG SER A 84 -5.267 10.330 -18.369 1.00 0.00 O ATOM 0 H SER A 84 -6.909 13.508 -17.433 1.00 0.00 H new ATOM 0 HA SER A 84 -6.534 11.157 -15.887 1.00 0.00 H new ATOM 0 HB2 SER A 84 -7.304 10.630 -18.045 1.00 0.00 H new ATOM 0 HB3 SER A 84 -6.469 11.982 -18.783 1.00 0.00 H new ATOM 0 HG SER A 84 -4.481 10.875 -18.583 1.00 0.00 H new ATOM 1233 N SER A 85 -4.144 11.228 -15.264 1.00 0.00 N ATOM 1234 CA SER A 85 -2.699 11.102 -14.965 1.00 0.00 C ATOM 1235 C SER A 85 -2.014 10.135 -15.924 1.00 0.00 C ATOM 1236 O SER A 85 -2.516 9.857 -16.996 1.00 0.00 O ATOM 1237 CB SER A 85 -2.551 10.568 -13.536 1.00 0.00 C ATOM 1238 OG SER A 85 -3.508 11.310 -12.791 1.00 0.00 O ATOM 0 H SER A 85 -4.773 10.983 -14.499 1.00 0.00 H new ATOM 0 HA SER A 85 -2.231 12.080 -15.075 1.00 0.00 H new ATOM 0 HB2 SER A 85 -2.750 9.497 -13.487 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.542 10.722 -13.155 1.00 0.00 H new ATOM 0 HG SER A 85 -3.635 10.892 -11.913 1.00 0.00 H new ATOM 1244 N LYS A 86 -0.869 9.644 -15.511 1.00 0.00 N ATOM 1245 CA LYS A 86 -0.109 8.689 -16.362 1.00 0.00 C ATOM 1246 C LYS A 86 0.007 7.313 -15.666 1.00 0.00 C ATOM 1247 O LYS A 86 0.979 7.046 -14.988 1.00 0.00 O ATOM 1248 CB LYS A 86 1.314 9.261 -16.557 1.00 0.00 C ATOM 1249 CG LYS A 86 1.411 9.905 -17.946 1.00 0.00 C ATOM 1250 CD LYS A 86 2.714 10.712 -18.040 1.00 0.00 C ATOM 1251 CE LYS A 86 2.796 11.379 -19.417 1.00 0.00 C ATOM 1252 NZ LYS A 86 4.211 11.709 -19.751 1.00 0.00 N ATOM 0 H LYS A 86 -0.431 9.868 -14.617 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.624 8.559 -17.314 1.00 0.00 H new ATOM 0 HB2 LYS A 86 1.532 9.999 -15.785 1.00 0.00 H new ATOM 0 HB3 LYS A 86 2.055 8.468 -16.458 1.00 0.00 H new ATOM 0 HG2 LYS A 86 1.389 9.136 -18.718 1.00 0.00 H new ATOM 0 HG3 LYS A 86 0.553 10.555 -18.119 1.00 0.00 H new ATOM 0 HD2 LYS A 86 2.745 11.467 -17.255 1.00 0.00 H new ATOM 0 HD3 LYS A 86 3.573 10.058 -17.888 1.00 0.00 H new ATOM 0 HE2 LYS A 86 2.382 10.714 -20.175 1.00 0.00 H new ATOM 0 HE3 LYS A 86 2.193 12.287 -19.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 4.251 12.160 -20.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 4.594 12.360 -19.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 4.777 10.837 -19.763 1.00 0.00 H new ATOM 1266 N PRO A 87 -1.000 6.452 -15.832 1.00 0.00 N ATOM 1267 CA PRO A 87 -0.962 5.136 -15.205 1.00 0.00 C ATOM 1268 C PRO A 87 0.249 4.358 -15.689 1.00 0.00 C ATOM 1269 O PRO A 87 0.577 4.400 -16.860 1.00 0.00 O ATOM 1270 CB PRO A 87 -2.266 4.438 -15.654 1.00 0.00 C ATOM 1271 CG PRO A 87 -3.098 5.490 -16.453 1.00 0.00 C ATOM 1272 CD PRO A 87 -2.203 6.727 -16.641 1.00 0.00 C ATOM 0 HA PRO A 87 -0.887 5.200 -14.120 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -2.044 3.570 -16.275 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -2.827 4.078 -14.792 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -3.404 5.086 -17.418 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -4.008 5.752 -15.913 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -1.948 6.874 -17.690 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -2.706 7.634 -16.305 1.00 0.00 H new ATOM 1280 N ILE A 88 0.899 3.659 -14.783 1.00 0.00 N ATOM 1281 CA ILE A 88 2.101 2.875 -15.193 1.00 0.00 C ATOM 1282 C ILE A 88 2.031 1.463 -14.660 1.00 0.00 C ATOM 1283 O ILE A 88 1.407 1.209 -13.647 1.00 0.00 O ATOM 1284 CB ILE A 88 3.352 3.563 -14.627 1.00 0.00 C ATOM 1285 CG1 ILE A 88 4.590 2.699 -14.904 1.00 0.00 C ATOM 1286 CG2 ILE A 88 3.172 3.735 -13.102 1.00 0.00 C ATOM 1287 CD1 ILE A 88 5.855 3.520 -14.621 1.00 0.00 C ATOM 0 H ILE A 88 0.651 3.601 -13.795 1.00 0.00 H new ATOM 0 HA ILE A 88 2.142 2.833 -16.281 1.00 0.00 H new ATOM 0 HB ILE A 88 3.487 4.536 -15.100 1.00 0.00 H new ATOM 0 HG12 ILE A 88 4.573 1.808 -14.277 1.00 0.00 H new ATOM 0 HG13 ILE A 88 4.587 2.360 -15.940 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.053 4.223 -12.684 1.00 0.00 H new ATOM 0 HG22 ILE A 88 2.291 4.347 -12.906 1.00 0.00 H new ATOM 0 HG23 ILE A 88 3.045 2.757 -12.638 1.00 0.00 H new ATOM 0 HD11 ILE A 88 6.736 2.909 -14.817 1.00 0.00 H new ATOM 0 HD12 ILE A 88 5.871 4.398 -15.267 1.00 0.00 H new ATOM 0 HD13 ILE A 88 5.857 3.837 -13.578 1.00 0.00 H new ATOM 1299 N SER A 89 2.675 0.564 -15.356 1.00 0.00 N ATOM 1300 CA SER A 89 2.666 -0.848 -14.915 1.00 0.00 C ATOM 1301 C SER A 89 4.047 -1.471 -15.051 1.00 0.00 C ATOM 1302 O SER A 89 4.837 -1.070 -15.882 1.00 0.00 O ATOM 1303 CB SER A 89 1.685 -1.622 -15.807 1.00 0.00 C ATOM 1304 OG SER A 89 1.842 -1.031 -17.090 1.00 0.00 O ATOM 0 H SER A 89 3.204 0.752 -16.208 1.00 0.00 H new ATOM 0 HA SER A 89 2.369 -0.892 -13.867 1.00 0.00 H new ATOM 0 HB2 SER A 89 1.919 -2.686 -15.827 1.00 0.00 H new ATOM 0 HB3 SER A 89 0.660 -1.528 -15.448 1.00 0.00 H new ATOM 0 HG SER A 89 1.245 -1.473 -17.729 1.00 0.00 H new ATOM 1310 N ILE A 90 4.311 -2.446 -14.227 1.00 0.00 N ATOM 1311 CA ILE A 90 5.631 -3.116 -14.282 1.00 0.00 C ATOM 1312 C ILE A 90 5.498 -4.591 -13.929 1.00 0.00 C ATOM 1313 O ILE A 90 4.750 -4.957 -13.041 1.00 0.00 O ATOM 1314 CB ILE A 90 6.566 -2.448 -13.267 1.00 0.00 C ATOM 1315 CG1 ILE A 90 5.743 -1.765 -12.171 1.00 0.00 C ATOM 1316 CG2 ILE A 90 7.396 -1.379 -14.006 1.00 0.00 C ATOM 1317 CD1 ILE A 90 6.607 -1.569 -10.914 1.00 0.00 C ATOM 0 H ILE A 90 3.668 -2.804 -13.521 1.00 0.00 H new ATOM 0 HA ILE A 90 6.031 -3.028 -15.292 1.00 0.00 H new ATOM 0 HB ILE A 90 7.215 -3.197 -12.814 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.377 -0.801 -12.526 1.00 0.00 H new ATOM 0 HG13 ILE A 90 4.868 -2.369 -11.931 1.00 0.00 H new ATOM 0 HG21 ILE A 90 8.069 -0.890 -13.302 1.00 0.00 H new ATOM 0 HG22 ILE A 90 7.979 -1.853 -14.796 1.00 0.00 H new ATOM 0 HG23 ILE A 90 6.727 -0.637 -14.443 1.00 0.00 H new ATOM 0 HD11 ILE A 90 6.016 -1.083 -10.138 1.00 0.00 H new ATOM 0 HD12 ILE A 90 6.951 -2.539 -10.554 1.00 0.00 H new ATOM 0 HD13 ILE A 90 7.468 -0.947 -11.158 1.00 0.00 H new ATOM 1329 N ASN A 91 6.224 -5.413 -14.635 1.00 0.00 N ATOM 1330 CA ASN A 91 6.162 -6.853 -14.365 1.00 0.00 C ATOM 1331 C ASN A 91 7.238 -7.270 -13.369 1.00 0.00 C ATOM 1332 O ASN A 91 8.361 -6.808 -13.433 1.00 0.00 O ATOM 1333 CB ASN A 91 6.408 -7.577 -15.686 1.00 0.00 C ATOM 1334 CG ASN A 91 7.691 -7.044 -16.323 1.00 0.00 C ATOM 1335 OD1 ASN A 91 7.680 -6.068 -17.049 1.00 0.00 O ATOM 1336 ND2 ASN A 91 8.820 -7.651 -16.077 1.00 0.00 N ATOM 0 H ASN A 91 6.856 -5.137 -15.387 1.00 0.00 H new ATOM 0 HA ASN A 91 5.189 -7.103 -13.941 1.00 0.00 H new ATOM 0 HB2 ASN A 91 6.492 -8.650 -15.516 1.00 0.00 H new ATOM 0 HB3 ASN A 91 5.564 -7.426 -16.359 1.00 0.00 H new ATOM 0 HD21 ASN A 91 9.685 -7.306 -16.493 1.00 0.00 H new ATOM 0 HD22 ASN A 91 8.837 -8.470 -15.469 1.00 0.00 H new ATOM 1343 N TYR A 92 6.875 -8.135 -12.463 1.00 0.00 N ATOM 1344 CA TYR A 92 7.861 -8.594 -11.457 1.00 0.00 C ATOM 1345 C TYR A 92 7.477 -9.962 -10.914 1.00 0.00 C ATOM 1346 O TYR A 92 6.366 -10.165 -10.465 1.00 0.00 O ATOM 1347 CB TYR A 92 7.877 -7.586 -10.296 1.00 0.00 C ATOM 1348 CG TYR A 92 9.018 -7.937 -9.333 1.00 0.00 C ATOM 1349 CD1 TYR A 92 10.333 -7.891 -9.755 1.00 0.00 C ATOM 1350 CD2 TYR A 92 8.749 -8.309 -8.030 1.00 0.00 C ATOM 1351 CE1 TYR A 92 11.359 -8.213 -8.891 1.00 0.00 C ATOM 1352 CE2 TYR A 92 9.778 -8.631 -7.167 1.00 0.00 C ATOM 1353 CZ TYR A 92 11.090 -8.587 -7.591 1.00 0.00 C ATOM 1354 OH TYR A 92 12.117 -8.912 -6.729 1.00 0.00 O ATOM 0 H TYR A 92 5.942 -8.540 -12.379 1.00 0.00 H new ATOM 0 HA TYR A 92 8.843 -8.665 -11.925 1.00 0.00 H new ATOM 0 HB2 TYR A 92 8.008 -6.574 -10.680 1.00 0.00 H new ATOM 0 HB3 TYR A 92 6.923 -7.606 -9.769 1.00 0.00 H new ATOM 0 HD1 TYR A 92 10.559 -7.600 -10.770 1.00 0.00 H new ATOM 0 HD2 TYR A 92 7.727 -8.348 -7.684 1.00 0.00 H new ATOM 0 HE1 TYR A 92 12.382 -8.172 -9.235 1.00 0.00 H new ATOM 0 HE2 TYR A 92 9.553 -8.920 -6.151 1.00 0.00 H new ATOM 0 HH TYR A 92 11.746 -9.151 -5.854 1.00 0.00 H new ATOM 1364 N ARG A 93 8.404 -10.880 -10.961 1.00 0.00 N ATOM 1365 CA ARG A 93 8.104 -12.239 -10.449 1.00 0.00 C ATOM 1366 C ARG A 93 8.207 -12.278 -8.937 1.00 0.00 C ATOM 1367 O ARG A 93 9.246 -11.978 -8.380 1.00 0.00 O ATOM 1368 CB ARG A 93 9.126 -13.227 -11.039 1.00 0.00 C ATOM 1369 CG ARG A 93 10.292 -12.446 -11.645 1.00 0.00 C ATOM 1370 CD ARG A 93 11.386 -13.425 -12.069 1.00 0.00 C ATOM 1371 NE ARG A 93 12.164 -12.823 -13.189 1.00 0.00 N ATOM 1372 CZ ARG A 93 13.313 -13.342 -13.525 1.00 0.00 C ATOM 1373 NH1 ARG A 93 13.591 -14.561 -13.144 1.00 0.00 N ATOM 1374 NH2 ARG A 93 14.145 -12.625 -14.232 1.00 0.00 N ATOM 0 H ARG A 93 9.346 -10.746 -11.329 1.00 0.00 H new ATOM 0 HA ARG A 93 7.089 -12.509 -10.741 1.00 0.00 H new ATOM 0 HB2 ARG A 93 9.489 -13.900 -10.262 1.00 0.00 H new ATOM 0 HB3 ARG A 93 8.653 -13.846 -11.801 1.00 0.00 H new ATOM 0 HG2 ARG A 93 9.951 -11.869 -12.504 1.00 0.00 H new ATOM 0 HG3 ARG A 93 10.685 -11.735 -10.919 1.00 0.00 H new ATOM 0 HD2 ARG A 93 12.044 -13.643 -11.228 1.00 0.00 H new ATOM 0 HD3 ARG A 93 10.945 -14.371 -12.382 1.00 0.00 H new ATOM 0 HE ARG A 93 11.801 -12.011 -13.689 1.00 0.00 H new ATOM 0 HH11 ARG A 93 12.915 -15.090 -12.593 1.00 0.00 H new ATOM 0 HH12 ARG A 93 14.484 -14.983 -13.397 1.00 0.00 H new ATOM 0 HH21 ARG A 93 13.892 -11.677 -14.511 1.00 0.00 H new ATOM 0 HH22 ARG A 93 15.048 -13.013 -14.505 1.00 0.00 H new ATOM 1388 N THR A 94 7.121 -12.650 -8.297 1.00 0.00 N ATOM 1389 CA THR A 94 7.128 -12.716 -6.803 1.00 0.00 C ATOM 1390 C THR A 94 6.799 -14.125 -6.324 1.00 0.00 C ATOM 1391 O THR A 94 6.267 -14.862 -7.138 1.00 0.00 O ATOM 1392 CB THR A 94 6.061 -11.745 -6.262 1.00 0.00 C ATOM 1393 OG1 THR A 94 5.316 -11.343 -7.393 1.00 0.00 O ATOM 1394 CG2 THR A 94 6.699 -10.438 -5.733 1.00 0.00 C ATOM 1395 OXT THR A 94 7.097 -14.387 -5.171 1.00 0.00 O ATOM 0 H THR A 94 6.240 -12.908 -8.741 1.00 0.00 H new ATOM 0 HA THR A 94 8.120 -12.444 -6.441 1.00 0.00 H new ATOM 0 HB THR A 94 5.495 -12.234 -5.469 1.00 0.00 H new ATOM 0 HG1 THR A 94 4.389 -11.648 -7.299 1.00 0.00 H new ATOM 0 HG21 THR A 94 5.917 -9.777 -5.359 1.00 0.00 H new ATOM 0 HG22 THR A 94 7.393 -10.673 -4.925 1.00 0.00 H new ATOM 0 HG23 THR A 94 7.237 -9.943 -6.541 1.00 0.00 H new TER 1403 THR A 94 END