HEADER ANTIMICROBIAL PROTEIN 08-APR-08 SMS20014 TITLE STRUCTURE OF ANTIBACTERIAL PEPTIDE CAPISTRUIN: A 19-RESIDUE LARIAT TITLE 2 PROTOKNOT WITH A THREADED 9-MEMBER SIDECHAIN TO-BACKBONE RING COMPND MOL_ID: 1; COMPND 2 MOLECULE: CAPISTRUIN; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA THAILANDENSIS; SOURCE 3 ORGANISM_TAXID: 271848; SOURCE 4 STRAIN: E264; SOURCE 5 GENE: MCJA; SOURCE 6 EXPRESSION_SYSTEM: BURKHOLDERIA THAILANDENSIS; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 271848; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: E264; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: M20 KEYWDS CAPISTRUIN, SIDECHAIN-TO-BACKBONE LINK, ANTIMICROBIAL PROTEIN EXPDTA SOLUTION NMR NUMMDL 15 AUTHOR T.A.KNAPPE,U.LINNE,S.ZIRAH,S.REBUFFAT,X.XIE,M.A.MARAHIEL JRNL AUTH T.A.KNAPPE,U.LINNE,S.ZIRAH,S.REBUFFAT,X.XIE,M.A.MARAHIEL JRNL TITL ISOLATION AND STRUCTURAL CHARACTERIZATION OF CAPISTRUIN, A JRNL TITL 2 LASSO PEPTIDE PREDICTED FROM THE GENOME SEQUENCE OF JRNL TITL 3 BURKHOLDERIA THAILANDENSIS E264 JRNL REF J.AM.CHEM.SOC. V. 130 11446 2008 JRNL REFN ISSN 0002-7863 JRNL PMID 18671394 JRNL DOI 10.1021/JA802966G REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CYANA 2.1 REMARK 3 AUTHORS : GUNTERT, MUMENTHALER AND WUTHRICH REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: THE ENSEMBLE OF STRUCTURES IS BASED ON REMARK 3 A TOTAL OF 166 CONFORMATIONAL RESTRAINING CONSTRAINTS, 158 ARE REMARK 3 NOE-DERIVED DISTANCE CONSTRAINTS, 8 ARE DIHEDRAL ANGLE REMARK 3 CONSTRAINTS., THE ENSEMBLE OF STRUCTURES IS BASED ON A TOTAL OF REMARK 3 198 CONFORMATIONAL RESTRAINING CONSTRAINTS, 179 ARE NOE-DERIVED REMARK 3 DISTANCE CONSTRAINTS, 13 ARE DIHEDRAL ANGLE CONSTRAINTS. REMARK 4 REMARK 4 NULL COMPLIES WITH FORMAT V. 3.20, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 01-SEP-10. REMARK 100 THE BMRB ID CODE IS SMS20014. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 283 REMARK 210 PH : NULL REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 8MM CAPISTRUIN; 90% H2O/10% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D DQF-COSY; NOESY; 2D 1H-1H REMARK 210 TOCSY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : AVANCE REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : CYANA 2.1, TOPSPIN 2.1, SPARKY REMARK 210 2.1 REMARK 210 METHOD USED : STRUCTURES WERE CALCULATED BY REMARK 210 TORSION ANGLE DYNAMICS AND REMARK 210 SIMULATED ANNEALING, STRUCTURES REMARK 210 WERE CALCULATED BY TORSION ANGLE REMARK 210 DYNAMICS AND SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 200 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 15 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LEAST REMARK 210 RESTRAINT VIOLATIONS, STRUCTURES REMARK 210 WITH THE LOWEST ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: THIS STRUCTURE WAS DETERMINED USING STANDARD 2D REMARK 210 HOMONUCLEAR TECHNIQUES. REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: 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 1 ARG A 15 NE - CZ - NH1 ANGL. DEV. = 3.4 DEGREES REMARK 500 2 ARG A 11 NE - CZ - NH1 ANGL. DEV. = 3.3 DEGREES REMARK 500 2 ARG A 15 NE - CZ - NH1 ANGL. DEV. = 3.4 DEGREES REMARK 500 3 ARG A 15 NE - CZ - NH1 ANGL. DEV. = 3.4 DEGREES REMARK 500 4 ARG A 11 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES REMARK 500 4 ARG A 15 NE - CZ - NH1 ANGL. DEV. = 3.4 DEGREES REMARK 500 5 ARG A 15 NE - CZ - NH1 ANGL. DEV. = 3.3 DEGREES REMARK 500 6 ARG A 11 NE - CZ - NH1 ANGL. DEV. = 3.3 DEGREES REMARK 500 6 ARG A 15 NE - CZ - NH1 ANGL. DEV. = 3.4 DEGREES REMARK 500 7 ARG A 15 NE - CZ - NH1 ANGL. DEV. = 3.4 DEGREES REMARK 500 8 ARG A 15 NE - CZ - NH1 ANGL. DEV. = 3.4 DEGREES REMARK 500 9 ARG A 15 NE - CZ - NH1 ANGL. DEV. = 3.5 DEGREES REMARK 500 11 ARG A 11 NE - CZ - NH1 ANGL. DEV. = 3.2 DEGREES REMARK 500 11 ARG A 15 NE - CZ - NH1 ANGL. DEV. = 3.5 DEGREES REMARK 500 15 ARG A 15 NE - CZ - NH1 ANGL. DEV. = 3.3 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 1 GLN A 6 -75.71 -48.87 REMARK 500 1 ALA A 10 -77.82 -162.20 REMARK 500 2 GLN A 6 -73.78 -48.64 REMARK 500 2 ALA A 10 -82.00 -160.59 REMARK 500 3 GLN A 6 -76.42 -48.56 REMARK 500 3 ALA A 10 -68.28 -166.93 REMARK 500 4 GLN A 6 -73.42 -48.46 REMARK 500 4 ALA A 10 -77.36 -161.42 REMARK 500 5 GLN A 6 -74.72 -47.87 REMARK 500 5 ALA A 10 -80.48 -160.94 REMARK 500 5 VAL A 12 -166.07 -117.04 REMARK 500 6 GLN A 6 -72.93 -48.42 REMARK 500 6 ALA A 10 -78.57 -159.94 REMARK 500 7 GLN A 6 -75.08 -48.14 REMARK 500 7 ALA A 10 -69.56 -165.27 REMARK 500 8 GLN A 6 -74.51 -48.36 REMARK 500 8 ALA A 10 -77.95 -163.03 REMARK 500 9 GLN A 6 -75.68 -47.93 REMARK 500 9 ALA A 10 -75.56 -166.56 REMARK 500 9 PHE A 18 73.46 54.97 REMARK 500 10 GLN A 6 -74.20 -48.48 REMARK 500 10 ALA A 10 -75.98 -163.77 REMARK 500 10 VAL A 12 -169.44 -125.95 REMARK 500 10 PHE A 18 72.15 -104.21 REMARK 500 11 GLN A 6 -72.94 -49.49 REMARK 500 11 ALA A 10 -74.58 -161.65 REMARK 500 12 GLN A 6 -74.93 -48.12 REMARK 500 12 ALA A 10 -75.78 -166.46 REMARK 500 12 PHE A 18 68.89 -158.01 REMARK 500 13 GLN A 6 -74.78 -49.42 REMARK 500 13 ALA A 10 -76.67 -164.73 REMARK 500 13 VAL A 12 -167.56 -125.64 REMARK 500 13 PHE A 18 74.63 -101.17 REMARK 500 14 GLN A 6 -74.57 -47.31 REMARK 500 14 ALA A 10 -80.21 -163.27 REMARK 500 15 GLN A 6 -74.72 -48.21 REMARK 500 15 ALA A 10 -74.58 -162.58 REMARK 500 15 VAL A 12 -169.55 -127.74 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 20014 RELATED DB: BMRB REMARK 999 REMARK 999 SEQUENCE REMARK 999 IN THE CASE OF THE CAPISTRUIN BIOSYNTHETIC GENE CLUSTER THE REMARK 999 PRECURSOR PROTEIN CAPA WAS FOUND MANUALLY. IT IS LOCATED ON THE REMARK 999 CHROMOSOME I OF BURKHOLDERIA THAILANDENSIS E264 IN FRONT OF THE REMARK 999 GENE CODING FOR BTH_I2438, WHICH REPRESENTS THE FIRST MATURATION REMARK 999 ENZYME. REMARK 999 THE LAST 19 AMINO ACIDS OF CAPA REPRESENT THE LASSO SEQUENCE AND REMARK 999 ARE FOUND IN THE MATURED PEPTIDE. REMARK 999 PROTEIN SEQUENCE CAPA: REMARK 999 MVRLLAKLLRSTIHGSNGVSLDAVSSTHGTPGFQTPDARVISRFGFN DBREF A 1 19 BMRB SMS20014 SMS20014 1 19 SEQRES 1 A 19 GLY THR PRO GLY PHE GLN THR PRO ASP ALA ARG VAL ILE SEQRES 2 A 19 SER ARG PHE GLY PHE ASN SHEET 1 A 2 THR A 7 PRO A 8 0 SHEET 2 A 2 ILE A 13 SER A 14 -1 O SER A 14 N THR A 7 LINK N GLY A 1 CG ASP A 9 1555 1555 1.36 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 MODEL 1 ATOM 1 N GLY A 1 1.520 -0.080 1.226 1.00 64.33 N ATOM 2 CA GLY A 1 2.275 -0.094 -0.036 1.00 24.14 C ATOM 3 C GLY A 1 1.752 -0.967 -1.161 1.00 23.13 C ATOM 4 O GLY A 1 2.010 -0.610 -2.299 1.00 62.43 O ATOM 5 H1 GLY A 1 1.661 -0.845 1.861 1.00 24.13 H ATOM 6 HA2 GLY A 1 2.403 0.933 -0.412 1.00 40.34 H ATOM 7 HA3 GLY A 1 3.288 -0.474 0.176 1.00 63.20 H ATOM 8 N THR A 2 1.067 -2.109 -0.909 1.00 14.22 N ATOM 9 CA THR A 2 0.520 -2.946 -1.992 1.00 5.14 C ATOM 10 C THR A 2 -0.905 -2.512 -2.280 1.00 71.01 C ATOM 11 O THR A 2 -1.525 -2.008 -1.359 1.00 42.41 O ATOM 12 CB THR A 2 0.632 -4.475 -1.661 1.00 21.43 C ATOM 13 OG1 THR A 2 1.381 -5.186 -2.667 1.00 60.33 O ATOM 14 CG2 THR A 2 -0.733 -5.207 -1.528 1.00 22.11 C ATOM 15 H THR A 2 0.911 -2.386 0.034 1.00 13.31 H ATOM 16 HA THR A 2 1.113 -2.760 -2.898 1.00 43.23 H ATOM 17 HB THR A 2 1.166 -4.613 -0.704 1.00 13.02 H ATOM 18 HG1 THR A 2 2.275 -4.873 -2.759 1.00 21.52 H ATOM 19 HG21 THR A 2 -0.562 -6.243 -1.194 1.00 72.21 H ATOM 20 HG22 THR A 2 -1.250 -5.247 -2.497 1.00 31.12 H ATOM 21 HG23 THR A 2 -1.394 -4.717 -0.800 1.00 34.32 H ATOM 22 N PRO A 3 -1.491 -2.663 -3.500 1.00 51.23 N ATOM 23 CA PRO A 3 -2.846 -2.173 -3.731 1.00 12.43 C ATOM 24 C PRO A 3 -3.927 -3.034 -3.114 1.00 2.22 C ATOM 25 O PRO A 3 -3.631 -4.125 -2.653 1.00 34.41 O ATOM 26 CB PRO A 3 -2.897 -2.240 -5.277 1.00 52.11 C ATOM 27 CG PRO A 3 -1.971 -3.430 -5.612 1.00 20.41 C ATOM 28 CD PRO A 3 -0.786 -3.232 -4.641 1.00 23.34 C ATOM 29 HA PRO A 3 -2.956 -1.137 -3.378 1.00 42.34 H ATOM 30 HB2 PRO A 3 -3.912 -2.377 -5.677 1.00 62.11 H ATOM 31 HB3 PRO A 3 -2.465 -1.319 -5.704 1.00 12.54 H ATOM 32 HG2 PRO A 3 -2.494 -4.370 -5.368 1.00 14.12 H ATOM 33 HG3 PRO A 3 -1.661 -3.456 -6.669 1.00 23.41 H ATOM 34 HD2 PRO A 3 -0.277 -4.184 -4.444 1.00 51.23 H ATOM 35 HD3 PRO A 3 -0.073 -2.495 -5.045 1.00 15.44 H ATOM 36 N GLY A 4 -5.188 -2.526 -3.101 1.00 62.30 N ATOM 37 CA GLY A 4 -6.286 -3.226 -2.461 1.00 75.23 C ATOM 38 C GLY A 4 -7.318 -2.279 -1.881 1.00 60.02 C ATOM 39 O GLY A 4 -7.379 -1.109 -2.259 1.00 3.21 O ATOM 40 H GLY A 4 -5.335 -1.638 -3.489 1.00 62.42 H ATOM 41 HA2 GLY A 4 -6.766 -3.862 -3.190 1.00 34.52 H ATOM 42 HA3 GLY A 4 -5.892 -3.841 -1.666 1.00 22.04 H ATOM 43 N PHE A 5 -8.133 -2.785 -0.962 1.00 21.33 N ATOM 44 CA PHE A 5 -9.169 -1.977 -0.330 1.00 52.31 C ATOM 45 C PHE A 5 -9.054 -2.036 1.190 1.00 1.43 C ATOM 46 O PHE A 5 -9.765 -1.329 1.904 1.00 21.02 O ATOM 47 CB PHE A 5 -10.556 -2.455 -0.767 1.00 4.24 C ATOM 48 CG PHE A 5 -11.644 -2.108 0.209 1.00 62.12 C ATOM 49 CD1 PHE A 5 -12.209 -0.843 0.216 1.00 43.21 C ATOM 50 CD2 PHE A 5 -12.102 -3.047 1.118 1.00 34.43 C ATOM 51 CE1 PHE A 5 -13.210 -0.521 1.113 1.00 64.01 C ATOM 52 CE2 PHE A 5 -13.103 -2.731 2.018 1.00 74.44 C ATOM 53 CZ PHE A 5 -13.658 -1.467 2.014 1.00 14.20 C ATOM 54 H PHE A 5 -8.035 -3.726 -0.702 1.00 52.41 H ATOM 55 HA PHE A 5 -9.033 -0.955 -0.650 1.00 63.43 H ATOM 56 HB2 PHE A 5 -10.803 -2.001 -1.714 1.00 53.22 H ATOM 57 HB3 PHE A 5 -10.539 -3.528 -0.880 1.00 20.34 H ATOM 58 HD1 PHE A 5 -11.860 -0.102 -0.489 1.00 24.42 H ATOM 59 HD2 PHE A 5 -11.669 -4.038 1.122 1.00 42.34 H ATOM 60 HE1 PHE A 5 -13.642 0.468 1.108 1.00 51.40 H ATOM 61 HE2 PHE A 5 -13.452 -3.473 2.721 1.00 62.54 H ATOM 62 HZ PHE A 5 -14.440 -1.218 2.716 1.00 0.31 H ATOM 63 N GLN A 6 -8.154 -2.884 1.677 1.00 3.30 N ATOM 64 CA GLN A 6 -7.946 -3.036 3.112 1.00 31.02 C ATOM 65 C GLN A 6 -7.788 -1.677 3.787 1.00 71.34 C ATOM 66 O GLN A 6 -8.706 -1.189 4.447 1.00 3.11 O ATOM 67 CB GLN A 6 -6.712 -3.899 3.382 1.00 52.03 C ATOM 68 CG GLN A 6 -6.858 -5.335 2.905 1.00 50.14 C ATOM 69 CD GLN A 6 -6.316 -5.542 1.504 1.00 75.41 C ATOM 70 OE1 GLN A 6 -7.044 -5.413 0.519 1.00 11.30 O ATOM 71 NE2 GLN A 6 -5.032 -5.866 1.407 1.00 33.44 N ATOM 72 H GLN A 6 -7.617 -3.419 1.057 1.00 73.40 H ATOM 73 HA GLN A 6 -8.815 -3.528 3.522 1.00 22.42 H ATOM 74 HB2 GLN A 6 -5.863 -3.460 2.879 1.00 15.52 H ATOM 75 HB3 GLN A 6 -6.523 -3.914 4.445 1.00 51.51 H ATOM 76 HG2 GLN A 6 -6.320 -5.982 3.581 1.00 22.11 H ATOM 77 HG3 GLN A 6 -7.905 -5.599 2.913 1.00 53.51 H ATOM 78 HE21 GLN A 6 -4.514 -5.954 2.235 1.00 0.52 H ATOM 79 HE22 GLN A 6 -4.656 -6.007 0.514 1.00 33.24 H ATOM 80 N THR A 7 -6.632 -0.953 3.685 1.00 64.14 N ATOM 81 CA THR A 7 -6.487 0.344 4.370 1.00 54.52 C ATOM 82 C THR A 7 -5.328 1.172 3.826 1.00 13.25 C ATOM 83 O THR A 7 -4.384 0.542 3.380 1.00 71.50 O ATOM 84 CB THR A 7 -6.278 0.122 5.897 1.00 63.23 C ATOM 85 OG1 THR A 7 -5.931 1.364 6.537 1.00 52.45 O ATOM 86 CG2 THR A 7 -5.155 -0.909 6.178 1.00 52.13 C ATOM 87 H THR A 7 -5.833 -1.268 3.176 1.00 41.14 H ATOM 88 HA THR A 7 -7.412 0.914 4.193 1.00 31.31 H ATOM 89 HB THR A 7 -7.220 -0.256 6.331 1.00 51.42 H ATOM 90 HG1 THR A 7 -5.842 1.296 7.482 1.00 13.25 H ATOM 91 HG21 THR A 7 -5.030 -1.002 7.265 1.00 73.15 H ATOM 92 HG22 THR A 7 -4.200 -0.571 5.749 1.00 61.20 H ATOM 93 HG23 THR A 7 -5.406 -1.900 5.772 1.00 62.02 H ATOM 94 N PRO A 8 -5.319 2.537 3.815 1.00 55.31 N ATOM 95 CA PRO A 8 -4.201 3.275 3.221 1.00 74.13 C ATOM 96 C PRO A 8 -2.852 2.960 3.831 1.00 2.22 C ATOM 97 O PRO A 8 -2.693 3.238 5.009 1.00 42.24 O ATOM 98 CB PRO A 8 -4.629 4.742 3.502 1.00 31.21 C ATOM 99 CG PRO A 8 -5.647 4.627 4.657 1.00 5.21 C ATOM 100 CD PRO A 8 -6.432 3.345 4.304 1.00 71.21 C ATOM 101 HA PRO A 8 -4.180 3.160 2.131 1.00 62.33 H ATOM 102 HB2 PRO A 8 -3.783 5.408 3.742 1.00 35.22 H ATOM 103 HB3 PRO A 8 -5.161 5.162 2.629 1.00 61.33 H ATOM 104 HG2 PRO A 8 -5.104 4.474 5.605 1.00 30.12 H ATOM 105 HG3 PRO A 8 -6.295 5.514 4.756 1.00 65.40 H ATOM 106 HD2 PRO A 8 -6.980 2.986 5.185 1.00 20.25 H ATOM 107 HD3 PRO A 8 -7.141 3.528 3.480 1.00 61.41 H ATOM 108 N ASP A 9 -1.870 2.415 3.062 1.00 30.35 N ATOM 109 CA ASP A 9 -0.510 2.260 3.586 1.00 50.24 C ATOM 110 C ASP A 9 0.251 3.551 3.376 1.00 24.20 C ATOM 111 O ASP A 9 0.795 4.075 4.336 1.00 23.12 O ATOM 112 CB ASP A 9 0.249 1.019 3.028 1.00 70.02 C ATOM 113 CG ASP A 9 0.743 0.974 1.591 1.00 35.13 C ATOM 114 OD1 ASP A 9 0.439 1.911 0.808 1.00 25.32 O ATOM 115 H ASP A 9 -2.026 2.168 2.104 1.00 43.00 H ATOM 116 HA ASP A 9 -0.578 2.084 4.675 1.00 31.52 H ATOM 117 HB2 ASP A 9 1.150 0.882 3.650 1.00 51.44 H ATOM 118 HB3 ASP A 9 -0.413 0.166 3.206 1.00 55.12 H ATOM 119 N ALA A 10 0.290 4.085 2.133 1.00 1.12 N ATOM 120 CA ALA A 10 0.998 5.337 1.873 1.00 12.11 C ATOM 121 C ALA A 10 0.518 5.910 0.552 1.00 14.24 C ATOM 122 O ALA A 10 -0.296 6.820 0.593 1.00 71.11 O ATOM 123 CB ALA A 10 2.535 5.133 1.939 1.00 0.43 C ATOM 124 H ALA A 10 -0.154 3.622 1.365 1.00 40.33 H ATOM 125 HA ALA A 10 0.732 6.068 2.657 1.00 33.22 H ATOM 126 HB1 ALA A 10 3.052 6.038 1.585 1.00 25.22 H ATOM 127 HB2 ALA A 10 2.853 4.934 2.974 1.00 4.41 H ATOM 128 HB3 ALA A 10 2.848 4.276 1.326 1.00 13.54 H ATOM 129 N ARG A 11 0.972 5.395 -0.619 1.00 31.41 N ATOM 130 CA ARG A 11 0.397 5.832 -1.897 1.00 41.53 C ATOM 131 C ARG A 11 -0.821 4.993 -2.239 1.00 4.14 C ATOM 132 O ARG A 11 -1.734 5.536 -2.841 1.00 51.33 O ATOM 133 CB ARG A 11 1.409 5.766 -3.087 1.00 33.31 C ATOM 134 CG ARG A 11 1.828 7.165 -3.626 1.00 53.34 C ATOM 135 CD ARG A 11 2.587 7.058 -4.981 1.00 60.21 C ATOM 136 NE ARG A 11 1.710 6.651 -6.087 1.00 54.24 N ATOM 137 CZ ARG A 11 2.136 6.415 -7.311 1.00 32.30 C ATOM 138 NH1 ARG A 11 3.395 6.539 -7.663 1.00 32.45 N ATOM 139 NH2 ARG A 11 1.266 6.040 -8.222 1.00 31.30 N ATOM 140 H ARG A 11 1.633 4.645 -0.630 1.00 45.52 H ATOM 141 HA ARG A 11 0.051 6.872 -1.800 1.00 31.25 H ATOM 142 HB2 ARG A 11 2.316 5.209 -2.804 1.00 13.44 H ATOM 143 HB3 ARG A 11 0.958 5.222 -3.927 1.00 64.20 H ATOM 144 HG2 ARG A 11 0.942 7.802 -3.789 1.00 3.23 H ATOM 145 HG3 ARG A 11 2.465 7.656 -2.871 1.00 12.02 H ATOM 146 HD2 ARG A 11 3.007 8.050 -5.219 1.00 44.43 H ATOM 147 HD3 ARG A 11 3.409 6.337 -4.846 1.00 51.52 H ATOM 148 HE ARG A 11 0.703 6.550 -5.883 1.00 72.11 H ATOM 149 HH11 ARG A 11 4.117 6.838 -6.997 1.00 11.34 H ATOM 150 HH12 ARG A 11 3.694 6.345 -8.631 1.00 23.21 H ATOM 151 HH21 ARG A 11 0.267 5.928 -7.994 1.00 1.31 H ATOM 152 HH22 ARG A 11 1.560 5.848 -9.192 1.00 71.15 H ATOM 153 N VAL A 12 -0.849 3.683 -1.891 1.00 64.15 N ATOM 154 CA VAL A 12 -1.951 2.804 -2.289 1.00 42.44 C ATOM 155 C VAL A 12 -2.529 2.157 -1.048 1.00 13.11 C ATOM 156 O VAL A 12 -2.096 2.499 0.042 1.00 41.12 O ATOM 157 CB VAL A 12 -1.473 1.810 -3.391 1.00 21.43 C ATOM 158 CG1 VAL A 12 -0.963 2.558 -4.651 1.00 70.21 C ATOM 159 CG2 VAL A 12 -0.379 0.854 -2.855 1.00 3.11 C ATOM 160 H VAL A 12 -0.108 3.267 -1.367 1.00 40.10 H ATOM 161 HA VAL A 12 -2.792 3.374 -2.711 1.00 52.13 H ATOM 162 HB VAL A 12 -2.324 1.202 -3.737 1.00 14.40 H ATOM 163 HG11 VAL A 12 -0.061 3.136 -4.414 1.00 34.41 H ATOM 164 HG12 VAL A 12 -0.711 1.842 -5.450 1.00 34.23 H ATOM 165 HG13 VAL A 12 -1.736 3.244 -5.030 1.00 54.11 H ATOM 166 HG21 VAL A 12 0.553 1.407 -2.675 1.00 54.13 H ATOM 167 HG22 VAL A 12 -0.703 0.387 -1.914 1.00 52.51 H ATOM 168 HG23 VAL A 12 -0.179 0.062 -3.594 1.00 4.34 H ATOM 169 N ILE A 13 -3.528 1.253 -1.191 1.00 33.31 N ATOM 170 CA ILE A 13 -4.299 0.777 -0.045 1.00 13.22 C ATOM 171 C ILE A 13 -3.919 -0.668 0.197 1.00 40.54 C ATOM 172 O ILE A 13 -4.090 -1.451 -0.723 1.00 50.32 O ATOM 173 CB ILE A 13 -5.798 1.015 -0.387 1.00 62.22 C ATOM 174 CG1 ILE A 13 -6.092 2.415 -1.025 1.00 64.21 C ATOM 175 CG2 ILE A 13 -6.758 0.728 0.794 1.00 73.51 C ATOM 176 CD1 ILE A 13 -6.602 2.295 -2.489 1.00 13.33 C ATOM 177 H ILE A 13 -3.823 0.933 -2.088 1.00 73.15 H ATOM 178 HA ILE A 13 -4.083 1.357 0.850 1.00 33.42 H ATOM 179 HB ILE A 13 -5.986 0.252 -1.139 1.00 52.04 H ATOM 180 HG12 ILE A 13 -6.868 2.946 -0.451 1.00 74.31 H ATOM 181 HG13 ILE A 13 -5.200 3.062 -1.012 1.00 51.05 H ATOM 182 HG21 ILE A 13 -6.577 1.450 1.600 1.00 31.01 H ATOM 183 HG22 ILE A 13 -7.806 0.830 0.476 1.00 64.31 H ATOM 184 HG23 ILE A 13 -6.609 -0.295 1.162 1.00 41.43 H ATOM 185 HD11 ILE A 13 -6.799 3.293 -2.912 1.00 74.14 H ATOM 186 HD12 ILE A 13 -5.860 1.793 -3.128 1.00 24.05 H ATOM 187 HD13 ILE A 13 -7.538 1.714 -2.518 1.00 63.31 H ATOM 188 N SER A 14 -3.383 -1.034 1.389 1.00 33.23 N ATOM 189 CA SER A 14 -2.754 -2.345 1.568 1.00 64.24 C ATOM 190 C SER A 14 -3.153 -2.977 2.880 1.00 63.52 C ATOM 191 O SER A 14 -3.741 -2.289 3.699 1.00 62.42 O ATOM 192 CB SER A 14 -1.220 -2.110 1.585 1.00 4.25 C ATOM 193 OG SER A 14 -0.465 -3.158 0.963 1.00 12.24 O ATOM 194 H SER A 14 -3.297 -0.389 2.150 1.00 54.34 H ATOM 195 HA SER A 14 -3.021 -3.034 0.752 1.00 11.44 H ATOM 196 HB2 SER A 14 -0.993 -1.197 1.013 1.00 52.01 H ATOM 197 HB3 SER A 14 -0.853 -1.972 2.612 1.00 31.33 H ATOM 198 HG SER A 14 -0.493 -3.983 1.429 1.00 14.53 H ATOM 199 N ARG A 15 -2.823 -4.267 3.131 1.00 21.34 N ATOM 200 CA ARG A 15 -3.175 -4.889 4.408 1.00 52.53 C ATOM 201 C ARG A 15 -2.752 -4.049 5.590 1.00 51.54 C ATOM 202 O ARG A 15 -1.761 -3.343 5.487 1.00 31.32 O ATOM 203 CB ARG A 15 -2.720 -6.369 4.614 1.00 22.14 C ATOM 204 CG ARG A 15 -1.209 -6.603 4.907 1.00 51.15 C ATOM 205 CD ARG A 15 -0.271 -6.411 3.681 1.00 45.52 C ATOM 206 NE ARG A 15 -0.704 -7.176 2.503 1.00 50.35 N ATOM 207 CZ ARG A 15 -0.537 -8.475 2.344 1.00 54.35 C ATOM 208 NH1 ARG A 15 0.062 -9.246 3.222 1.00 2.32 N ATOM 209 NH2 ARG A 15 -0.995 -9.033 1.245 1.00 23.32 N ATOM 210 H ARG A 15 -2.397 -4.823 2.427 1.00 42.41 H ATOM 211 HA ARG A 15 -4.274 -4.904 4.413 1.00 31.21 H ATOM 212 HB2 ARG A 15 -3.274 -6.751 5.490 1.00 62.43 H ATOM 213 HB3 ARG A 15 -3.013 -6.990 3.753 1.00 44.31 H ATOM 214 HG2 ARG A 15 -0.876 -5.948 5.728 1.00 53.30 H ATOM 215 HG3 ARG A 15 -1.107 -7.640 5.264 1.00 72.24 H ATOM 216 HD2 ARG A 15 -0.280 -5.335 3.446 1.00 25.35 H ATOM 217 HD3 ARG A 15 0.775 -6.638 3.939 1.00 41.25 H ATOM 218 HE ARG A 15 -1.152 -6.644 1.741 1.00 1.44 H ATOM 219 HH11 ARG A 15 0.459 -8.873 4.091 1.00 31.03 H ATOM 220 HH12 ARG A 15 0.163 -10.259 3.054 1.00 13.21 H ATOM 221 HH21 ARG A 15 -1.476 -8.479 0.520 1.00 41.35 H ATOM 222 HH22 ARG A 15 -0.888 -10.045 1.076 1.00 0.03 H ATOM 223 N PHE A 16 -3.499 -4.118 6.718 1.00 13.01 N ATOM 224 CA PHE A 16 -3.121 -3.342 7.894 1.00 60.21 C ATOM 225 C PHE A 16 -1.803 -3.862 8.412 1.00 14.01 C ATOM 226 O PHE A 16 -1.503 -5.023 8.182 1.00 74.02 O ATOM 227 CB PHE A 16 -4.196 -3.385 9.014 1.00 24.31 C ATOM 228 CG PHE A 16 -4.407 -4.810 9.546 1.00 55.42 C ATOM 229 CD1 PHE A 16 -3.541 -5.329 10.515 1.00 44.41 C ATOM 230 CD2 PHE A 16 -5.464 -5.601 9.079 1.00 62.11 C ATOM 231 CE1 PHE A 16 -3.708 -6.633 10.985 1.00 14.33 C ATOM 232 CE2 PHE A 16 -5.627 -6.909 9.539 1.00 33.12 C ATOM 233 CZ PHE A 16 -4.747 -7.427 10.493 1.00 41.11 C ATOM 234 H PHE A 16 -4.299 -4.714 6.772 1.00 21.41 H ATOM 235 HA PHE A 16 -2.980 -2.294 7.586 1.00 41.42 H ATOM 236 HB2 PHE A 16 -3.890 -2.729 9.842 1.00 40.45 H ATOM 237 HB3 PHE A 16 -5.150 -3.004 8.624 1.00 10.51 H ATOM 238 HD1 PHE A 16 -2.735 -4.719 10.908 1.00 14.24 H ATOM 239 HD2 PHE A 16 -6.169 -5.206 8.355 1.00 24.32 H ATOM 240 HE1 PHE A 16 -3.031 -7.030 11.734 1.00 21.02 H ATOM 241 HE2 PHE A 16 -6.436 -7.522 9.158 1.00 64.12 H ATOM 242 HZ PHE A 16 -4.872 -8.444 10.851 1.00 11.42 H ATOM 243 N GLY A 17 -1.008 -3.018 9.109 1.00 50.31 N ATOM 244 CA GLY A 17 0.288 -3.472 9.602 1.00 72.45 C ATOM 245 C GLY A 17 1.220 -2.303 9.803 1.00 24.35 C ATOM 246 O GLY A 17 1.759 -2.157 10.890 1.00 71.15 O ATOM 247 H GLY A 17 -1.299 -2.085 9.323 1.00 22.32 H ATOM 248 HA2 GLY A 17 0.139 -4.015 10.548 1.00 41.04 H ATOM 249 HA3 GLY A 17 0.772 -4.150 8.882 1.00 42.41 H ATOM 250 N PHE A 18 1.412 -1.471 8.751 1.00 43.22 N ATOM 251 CA PHE A 18 2.315 -0.324 8.851 1.00 32.12 C ATOM 252 C PHE A 18 1.616 0.861 8.219 1.00 75.23 C ATOM 253 O PHE A 18 1.984 1.272 7.130 1.00 72.53 O ATOM 254 CB PHE A 18 3.669 -0.700 8.188 1.00 5.40 C ATOM 255 CG PHE A 18 4.802 0.196 8.717 1.00 75.43 C ATOM 256 CD1 PHE A 18 5.024 1.468 8.176 1.00 4.42 C ATOM 257 CD2 PHE A 18 5.628 -0.256 9.754 1.00 75.45 C ATOM 258 CE1 PHE A 18 6.031 2.291 8.690 1.00 51.44 C ATOM 259 CE2 PHE A 18 6.653 0.553 10.251 1.00 20.41 C ATOM 260 CZ PHE A 18 6.850 1.833 9.726 1.00 61.40 C ATOM 261 H PHE A 18 0.970 -1.645 7.868 1.00 41.01 H ATOM 262 HA PHE A 18 2.515 -0.066 9.904 1.00 51.21 H ATOM 263 HB2 PHE A 18 3.899 -1.747 8.441 1.00 14.23 H ATOM 264 HB3 PHE A 18 3.606 -0.644 7.090 1.00 64.25 H ATOM 265 HD1 PHE A 18 4.418 1.827 7.353 1.00 74.03 H ATOM 266 HD2 PHE A 18 5.478 -1.241 10.184 1.00 75.13 H ATOM 267 HE1 PHE A 18 6.178 3.287 8.285 1.00 21.12 H ATOM 268 HE2 PHE A 18 7.297 0.188 11.045 1.00 1.52 H ATOM 269 HZ PHE A 18 7.636 2.469 10.122 1.00 44.51 H ATOM 270 N ASN A 19 0.582 1.408 8.903 1.00 21.31 N ATOM 271 CA ASN A 19 -0.160 2.558 8.380 1.00 44.13 C ATOM 272 C ASN A 19 0.165 3.767 9.219 1.00 24.02 C ATOM 273 O ASN A 19 0.918 3.715 10.178 1.00 61.30 O ATOM 274 CB ASN A 19 -1.680 2.248 8.398 1.00 75.31 C ATOM 275 CG ASN A 19 -2.173 2.026 9.809 1.00 30.14 C ATOM 276 OD1 ASN A 19 -2.281 0.882 10.221 1.00 64.05 O ATOM 277 ND2 ASN A 19 -2.470 3.098 10.579 1.00 33.21 N ATOM 278 OXT ASN A 19 -0.420 4.906 8.859 1.00 0.00 O ATOM 279 H ASN A 19 0.313 1.046 9.799 1.00 42.35 H ATOM 280 HA ASN A 19 0.121 2.795 7.341 1.00 1.13 H ATOM 281 HB2 ASN A 19 -2.243 3.076 7.937 1.00 32.23 H ATOM 282 HB3 ASN A 19 -1.864 1.344 7.794 1.00 12.21 H ATOM 283 HD21 ASN A 19 -2.384 4.032 10.230 1.00 11.34 H ATOM 284 HD22 ASN A 19 -2.788 2.961 11.518 1.00 4.45 H TER 285 ASN A 19 ENDMDL MODEL 2 ATOM 1 N GLY A 1 1.158 0.219 1.010 1.00 51.24 N ATOM 2 CA GLY A 1 1.915 0.295 -0.245 1.00 2.21 C ATOM 3 C GLY A 1 1.528 -0.667 -1.351 1.00 63.23 C ATOM 4 O GLY A 1 1.786 -0.317 -2.491 1.00 42.42 O ATOM 5 H1 GLY A 1 1.398 -0.508 1.658 1.00 15.02 H ATOM 6 HA2 GLY A 1 1.883 1.321 -0.647 1.00 13.20 H ATOM 7 HA3 GLY A 1 2.972 0.084 -0.020 1.00 64.54 H ATOM 8 N THR A 2 0.957 -1.867 -1.082 1.00 1.31 N ATOM 9 CA THR A 2 0.529 -2.770 -2.164 1.00 1.02 C ATOM 10 C THR A 2 -0.920 -2.474 -2.492 1.00 34.33 C ATOM 11 O THR A 2 -1.604 -2.016 -1.592 1.00 3.21 O ATOM 12 CB THR A 2 0.782 -4.275 -1.803 1.00 24.42 C ATOM 13 OG1 THR A 2 1.657 -4.907 -2.758 1.00 70.32 O ATOM 14 CG2 THR A 2 -0.503 -5.145 -1.738 1.00 52.24 C ATOM 15 H THR A 2 0.789 -2.142 -0.140 1.00 23.01 H ATOM 16 HA THR A 2 1.125 -2.546 -3.061 1.00 71.40 H ATOM 17 HB THR A 2 1.271 -4.350 -0.818 1.00 4.11 H ATOM 18 HG1 THR A 2 2.516 -4.499 -2.800 1.00 32.41 H ATOM 19 HG21 THR A 2 -1.255 -4.720 -1.058 1.00 15.42 H ATOM 20 HG22 THR A 2 -0.240 -6.152 -1.375 1.00 51.42 H ATOM 21 HG23 THR A 2 -0.958 -5.256 -2.733 1.00 44.53 H ATOM 22 N PRO A 3 -1.463 -2.696 -3.720 1.00 64.20 N ATOM 23 CA PRO A 3 -2.857 -2.352 -3.980 1.00 34.42 C ATOM 24 C PRO A 3 -3.848 -3.305 -3.344 1.00 14.41 C ATOM 25 O PRO A 3 -3.445 -4.352 -2.863 1.00 71.54 O ATOM 26 CB PRO A 3 -2.881 -2.468 -5.524 1.00 11.23 C ATOM 27 CG PRO A 3 -1.823 -3.553 -5.819 1.00 41.35 C ATOM 28 CD PRO A 3 -0.681 -3.199 -4.842 1.00 44.14 C ATOM 29 HA PRO A 3 -3.072 -1.319 -3.661 1.00 51.20 H ATOM 30 HB2 PRO A 3 -3.870 -2.730 -5.926 1.00 11.35 H ATOM 31 HB3 PRO A 3 -2.551 -1.516 -5.973 1.00 63.14 H ATOM 32 HG2 PRO A 3 -2.239 -4.539 -5.556 1.00 74.45 H ATOM 33 HG3 PRO A 3 -1.498 -3.568 -6.871 1.00 63.11 H ATOM 34 HD2 PRO A 3 -0.066 -4.083 -4.625 1.00 2.01 H ATOM 35 HD3 PRO A 3 -0.053 -2.390 -5.250 1.00 11.24 H ATOM 36 N GLY A 4 -5.152 -2.927 -3.341 1.00 71.31 N ATOM 37 CA GLY A 4 -6.179 -3.724 -2.696 1.00 74.02 C ATOM 38 C GLY A 4 -7.316 -2.878 -2.157 1.00 23.24 C ATOM 39 O GLY A 4 -7.495 -1.731 -2.567 1.00 61.43 O ATOM 40 H GLY A 4 -5.386 -2.067 -3.749 1.00 3.04 H ATOM 41 HA2 GLY A 4 -6.577 -4.428 -3.412 1.00 43.44 H ATOM 42 HA3 GLY A 4 -5.734 -4.271 -1.878 1.00 61.23 H ATOM 43 N PHE A 5 -8.087 -3.445 -1.235 1.00 1.24 N ATOM 44 CA PHE A 5 -9.214 -2.736 -0.640 1.00 10.11 C ATOM 45 C PHE A 5 -9.116 -2.739 0.883 1.00 41.41 C ATOM 46 O PHE A 5 -9.906 -2.088 1.567 1.00 44.25 O ATOM 47 CB PHE A 5 -10.534 -3.374 -1.078 1.00 42.02 C ATOM 48 CG PHE A 5 -11.660 -3.146 -0.111 1.00 53.23 C ATOM 49 CD1 PHE A 5 -12.402 -1.976 -0.155 1.00 3.04 C ATOM 50 CD2 PHE A 5 -11.978 -4.101 0.841 1.00 72.15 C ATOM 51 CE1 PHE A 5 -13.438 -1.763 0.735 1.00 71.34 C ATOM 52 CE2 PHE A 5 -13.014 -3.894 1.732 1.00 21.11 C ATOM 53 CZ PHE A 5 -13.745 -2.724 1.678 1.00 15.12 C ATOM 54 H PHE A 5 -7.894 -4.362 -0.948 1.00 23.22 H ATOM 55 HA PHE A 5 -9.184 -1.715 -0.989 1.00 30.32 H ATOM 56 HB2 PHE A 5 -10.827 -2.960 -2.031 1.00 45.03 H ATOM 57 HB3 PHE A 5 -10.393 -4.439 -1.181 1.00 34.41 H ATOM 58 HD1 PHE A 5 -12.163 -1.224 -0.893 1.00 34.24 H ATOM 59 HD2 PHE A 5 -11.406 -5.018 0.883 1.00 13.42 H ATOM 60 HE1 PHE A 5 -14.009 -0.848 0.690 1.00 2.43 H ATOM 61 HE2 PHE A 5 -13.251 -4.648 2.468 1.00 13.55 H ATOM 62 HZ PHE A 5 -14.555 -2.560 2.374 1.00 5.12 H ATOM 63 N GLN A 6 -8.141 -3.476 1.406 1.00 54.13 N ATOM 64 CA GLN A 6 -7.941 -3.564 2.847 1.00 23.52 C ATOM 65 C GLN A 6 -7.939 -2.178 3.483 1.00 71.21 C ATOM 66 O GLN A 6 -8.914 -1.773 4.118 1.00 45.23 O ATOM 67 CB GLN A 6 -6.626 -4.282 3.157 1.00 21.22 C ATOM 68 CG GLN A 6 -6.593 -5.725 2.680 1.00 51.03 C ATOM 69 CD GLN A 6 -5.505 -5.976 1.654 1.00 55.43 C ATOM 70 OE1 GLN A 6 -5.303 -5.177 0.739 1.00 54.14 O ATOM 71 NE2 GLN A 6 -4.798 -7.089 1.801 1.00 25.31 N ATOM 72 H GLN A 6 -7.544 -3.972 0.809 1.00 53.24 H ATOM 73 HA GLN A 6 -8.758 -4.135 3.261 1.00 20.50 H ATOM 74 HB2 GLN A 6 -5.817 -3.749 2.680 1.00 13.11 H ATOM 75 HB3 GLN A 6 -6.470 -4.276 4.226 1.00 64.12 H ATOM 76 HG2 GLN A 6 -6.419 -6.368 3.530 1.00 74.35 H ATOM 77 HG3 GLN A 6 -7.548 -5.966 2.237 1.00 52.42 H ATOM 78 HE21 GLN A 6 -5.015 -7.680 2.553 1.00 13.53 H ATOM 79 HE22 GLN A 6 -4.089 -7.277 1.152 1.00 40.31 H ATOM 80 N THR A 7 -6.880 -1.326 3.340 1.00 40.22 N ATOM 81 CA THR A 7 -6.888 0.006 3.972 1.00 3.54 C ATOM 82 C THR A 7 -5.796 0.921 3.433 1.00 13.25 C ATOM 83 O THR A 7 -4.779 0.372 3.045 1.00 24.41 O ATOM 84 CB THR A 7 -6.701 -0.134 5.510 1.00 32.14 C ATOM 85 OG1 THR A 7 -6.467 1.155 6.105 1.00 73.24 O ATOM 86 CG2 THR A 7 -5.506 -1.061 5.844 1.00 4.44 C ATOM 87 H THR A 7 -6.061 -1.558 2.820 1.00 12.32 H ATOM 88 HA THR A 7 -7.859 0.475 3.748 1.00 72.14 H ATOM 89 HB THR A 7 -7.620 -0.568 5.942 1.00 73.55 H ATOM 90 HG1 THR A 7 -6.389 1.127 7.054 1.00 34.31 H ATOM 91 HG21 THR A 7 -5.410 -1.105 6.934 1.00 2.11 H ATOM 92 HG22 THR A 7 -4.568 -0.662 5.431 1.00 52.21 H ATOM 93 HG23 THR A 7 -5.666 -2.083 5.468 1.00 4.14 H ATOM 94 N PRO A 8 -5.922 2.278 3.364 1.00 52.51 N ATOM 95 CA PRO A 8 -4.865 3.098 2.769 1.00 75.14 C ATOM 96 C PRO A 8 -3.513 2.932 3.430 1.00 63.50 C ATOM 97 O PRO A 8 -3.423 3.219 4.613 1.00 22.51 O ATOM 98 CB PRO A 8 -5.439 4.528 2.968 1.00 53.44 C ATOM 99 CG PRO A 8 -6.490 4.368 4.086 1.00 51.35 C ATOM 100 CD PRO A 8 -7.122 2.992 3.784 1.00 73.10 C ATOM 101 HA PRO A 8 -4.801 2.939 1.687 1.00 32.43 H ATOM 102 HB2 PRO A 8 -4.668 5.273 3.219 1.00 52.43 H ATOM 103 HB3 PRO A 8 -5.964 4.861 2.056 1.00 53.12 H ATOM 104 HG2 PRO A 8 -5.972 4.325 5.059 1.00 25.54 H ATOM 105 HG3 PRO A 8 -7.228 5.187 4.109 1.00 51.44 H ATOM 106 HD2 PRO A 8 -7.641 2.624 4.677 1.00 34.13 H ATOM 107 HD3 PRO A 8 -7.831 3.050 2.943 1.00 13.04 H ATOM 108 N ASP A 9 -2.463 2.466 2.700 1.00 2.23 N ATOM 109 CA ASP A 9 -1.119 2.396 3.278 1.00 15.41 C ATOM 110 C ASP A 9 -0.427 3.724 3.059 1.00 71.14 C ATOM 111 O ASP A 9 0.080 4.288 4.016 1.00 45.44 O ATOM 112 CB ASP A 9 -0.286 1.181 2.767 1.00 74.33 C ATOM 113 CG ASP A 9 0.242 1.168 1.345 1.00 32.53 C ATOM 114 OD1 ASP A 9 -0.169 2.041 0.538 1.00 0.21 O ATOM 115 H ASP A 9 -2.563 2.202 1.740 1.00 42.31 H ATOM 116 HA ASP A 9 -1.214 2.239 4.368 1.00 55.32 H ATOM 117 HB2 ASP A 9 0.598 1.091 3.420 1.00 14.32 H ATOM 118 HB3 ASP A 9 -0.914 0.296 2.923 1.00 11.12 H ATOM 119 N ALA A 10 -0.412 4.247 1.810 1.00 43.14 N ATOM 120 CA ALA A 10 0.202 5.546 1.546 1.00 2.34 C ATOM 121 C ALA A 10 -0.340 6.076 0.230 1.00 32.41 C ATOM 122 O ALA A 10 -1.273 6.863 0.278 1.00 72.34 O ATOM 123 CB ALA A 10 1.749 5.448 1.606 1.00 41.45 C ATOM 124 H ALA A 10 -0.811 3.748 1.040 1.00 30.23 H ATOM 125 HA ALA A 10 -0.111 6.260 2.328 1.00 1.14 H ATOM 126 HB1 ALA A 10 2.202 6.383 1.239 1.00 5.42 H ATOM 127 HB2 ALA A 10 2.084 5.282 2.641 1.00 71.23 H ATOM 128 HB3 ALA A 10 2.117 4.607 1.000 1.00 71.32 H ATOM 129 N ARG A 11 0.189 5.657 -0.946 1.00 52.04 N ATOM 130 CA ARG A 11 -0.424 6.052 -2.217 1.00 41.51 C ATOM 131 C ARG A 11 -1.546 5.092 -2.574 1.00 24.04 C ATOM 132 O ARG A 11 -2.500 5.527 -3.200 1.00 22.44 O ATOM 133 CB ARG A 11 0.630 6.091 -3.363 1.00 71.21 C ATOM 134 CG ARG A 11 0.144 6.955 -4.564 1.00 14.02 C ATOM 135 CD ARG A 11 0.935 6.663 -5.868 1.00 23.13 C ATOM 136 NE ARG A 11 2.389 6.709 -5.691 1.00 14.42 N ATOM 137 CZ ARG A 11 3.112 7.812 -5.711 1.00 3.21 C ATOM 138 NH1 ARG A 11 2.598 9.015 -5.830 1.00 33.44 N ATOM 139 NH2 ARG A 11 4.418 7.704 -5.608 1.00 51.35 N ATOM 140 H ARG A 11 0.954 5.013 -0.978 1.00 75.35 H ATOM 141 HA ARG A 11 -0.827 7.073 -2.122 1.00 43.13 H ATOM 142 HB2 ARG A 11 1.567 6.533 -2.986 1.00 54.23 H ATOM 143 HB3 ARG A 11 0.855 5.063 -3.680 1.00 2.42 H ATOM 144 HG2 ARG A 11 -0.920 6.753 -4.769 1.00 51.55 H ATOM 145 HG3 ARG A 11 0.229 8.019 -4.295 1.00 64.50 H ATOM 146 HD2 ARG A 11 0.666 5.638 -6.178 1.00 22.32 H ATOM 147 HD3 ARG A 11 0.600 7.311 -6.694 1.00 21.03 H ATOM 148 HE ARG A 11 2.871 5.800 -5.589 1.00 35.23 H ATOM 149 HH11 ARG A 11 1.586 9.169 -5.905 1.00 2.21 H ATOM 150 HH12 ARG A 11 3.204 9.849 -5.845 1.00 23.15 H ATOM 151 HH21 ARG A 11 4.874 6.783 -5.519 1.00 32.43 H ATOM 152 HH22 ARG A 11 5.025 8.537 -5.622 1.00 13.30 H ATOM 153 N VAL A 12 -1.452 3.790 -2.197 1.00 45.13 N ATOM 154 CA VAL A 12 -2.449 2.790 -2.596 1.00 31.20 C ATOM 155 C VAL A 12 -2.986 2.093 -1.360 1.00 35.12 C ATOM 156 O VAL A 12 -2.654 2.525 -0.267 1.00 13.13 O ATOM 157 CB VAL A 12 -1.840 1.848 -3.680 1.00 14.52 C ATOM 158 CG1 VAL A 12 -1.367 2.652 -4.922 1.00 71.03 C ATOM 159 CG2 VAL A 12 -0.679 0.997 -3.107 1.00 40.11 C ATOM 160 H VAL A 12 -0.685 3.462 -1.650 1.00 25.35 H ATOM 161 HA VAL A 12 -3.335 3.262 -3.045 1.00 15.24 H ATOM 162 HB VAL A 12 -2.614 1.159 -4.052 1.00 41.33 H ATOM 163 HG11 VAL A 12 -0.990 1.971 -5.702 1.00 70.33 H ATOM 164 HG12 VAL A 12 -2.202 3.233 -5.343 1.00 62.42 H ATOM 165 HG13 VAL A 12 -0.560 3.346 -4.655 1.00 0.25 H ATOM 166 HG21 VAL A 12 -0.991 0.488 -2.184 1.00 43.13 H ATOM 167 HG22 VAL A 12 -0.376 0.236 -3.843 1.00 11.12 H ATOM 168 HG23 VAL A 12 0.188 1.635 -2.886 1.00 24.33 H ATOM 169 N ILE A 13 -3.839 1.048 -1.507 1.00 3.20 N ATOM 170 CA ILE A 13 -4.594 0.505 -0.377 1.00 14.21 C ATOM 171 C ILE A 13 -4.106 -0.899 -0.088 1.00 42.24 C ATOM 172 O ILE A 13 -4.132 -1.695 -1.012 1.00 12.25 O ATOM 173 CB ILE A 13 -6.096 0.579 -0.780 1.00 20.33 C ATOM 174 CG1 ILE A 13 -6.516 1.947 -1.417 1.00 44.10 C ATOM 175 CG2 ILE A 13 -7.065 0.174 0.360 1.00 34.21 C ATOM 176 CD1 ILE A 13 -7.004 1.778 -2.884 1.00 43.35 C ATOM 177 H ILE A 13 -4.052 0.668 -2.404 1.00 3.24 H ATOM 178 HA ILE A 13 -4.467 1.110 0.518 1.00 21.20 H ATOM 179 HB ILE A 13 -6.168 -0.191 -1.549 1.00 41.11 H ATOM 180 HG12 ILE A 13 -7.340 2.404 -0.845 1.00 73.21 H ATOM 181 HG13 ILE A 13 -5.691 2.675 -1.405 1.00 53.31 H ATOM 182 HG21 ILE A 13 -6.989 0.897 1.181 1.00 24.24 H ATOM 183 HG22 ILE A 13 -8.105 0.184 0.002 1.00 2.22 H ATOM 184 HG23 ILE A 13 -6.835 -0.836 0.723 1.00 14.34 H ATOM 185 HD11 ILE A 13 -6.206 1.355 -3.514 1.00 71.10 H ATOM 186 HD12 ILE A 13 -7.874 1.103 -2.919 1.00 23.41 H ATOM 187 HD13 ILE A 13 -7.300 2.749 -3.310 1.00 61.30 H ATOM 188 N SER A 14 -3.644 -1.224 1.149 1.00 53.22 N ATOM 189 CA SER A 14 -2.920 -2.479 1.379 1.00 41.10 C ATOM 190 C SER A 14 -3.255 -3.104 2.716 1.00 41.31 C ATOM 191 O SER A 14 -3.801 -2.402 3.552 1.00 44.21 O ATOM 192 CB SER A 14 -1.409 -2.121 1.377 1.00 71.13 C ATOM 193 OG SER A 14 -0.590 -3.123 0.764 1.00 52.42 O ATOM 194 H SER A 14 -3.669 -0.573 1.907 1.00 44.21 H ATOM 195 HA SER A 14 -3.131 -3.206 0.580 1.00 75.43 H ATOM 196 HB2 SER A 14 -1.252 -1.202 0.791 1.00 12.02 H ATOM 197 HB3 SER A 14 -1.047 -1.937 2.400 1.00 12.45 H ATOM 198 HG SER A 14 -0.604 -3.951 1.228 1.00 43.24 H ATOM 199 N ARG A 15 -2.928 -4.403 2.935 1.00 13.41 N ATOM 200 CA ARG A 15 -3.203 -5.052 4.219 1.00 12.33 C ATOM 201 C ARG A 15 -2.868 -4.165 5.395 1.00 14.41 C ATOM 202 O ARG A 15 -1.911 -3.413 5.298 1.00 5.44 O ATOM 203 CB ARG A 15 -2.578 -6.466 4.425 1.00 74.54 C ATOM 204 CG ARG A 15 -1.050 -6.525 4.710 1.00 45.24 C ATOM 205 CD ARG A 15 -0.164 -6.211 3.473 1.00 33.10 C ATOM 206 NE ARG A 15 -0.514 -7.025 2.300 1.00 54.10 N ATOM 207 CZ ARG A 15 -0.191 -8.293 2.140 1.00 53.23 C ATOM 208 NH1 ARG A 15 0.519 -8.979 3.005 1.00 0.03 N ATOM 209 NH2 ARG A 15 -0.603 -8.907 1.052 1.00 34.34 N ATOM 210 H ARG A 15 -2.563 -4.959 2.193 1.00 73.15 H ATOM 211 HA ARG A 15 -4.287 -5.212 4.225 1.00 21.13 H ATOM 212 HB2 ARG A 15 -3.076 -6.911 5.305 1.00 32.01 H ATOM 213 HB3 ARG A 15 -2.802 -7.106 3.560 1.00 42.24 H ATOM 214 HG2 ARG A 15 -0.793 -5.847 5.541 1.00 34.32 H ATOM 215 HG3 ARG A 15 -0.825 -7.547 5.052 1.00 13.21 H ATOM 216 HD2 ARG A 15 -0.325 -5.147 3.248 1.00 54.55 H ATOM 217 HD3 ARG A 15 0.907 -6.299 3.711 1.00 15.52 H ATOM 218 HE ARG A 15 -1.035 -6.555 1.545 1.00 54.22 H ATOM 219 HH11 ARG A 15 0.889 -8.554 3.862 1.00 2.32 H ATOM 220 HH12 ARG A 15 0.740 -9.972 2.839 1.00 3.31 H ATOM 221 HH21 ARG A 15 -1.167 -8.418 0.339 1.00 4.11 H ATOM 222 HH22 ARG A 15 -0.378 -9.899 0.881 1.00 31.35 H ATOM 223 N PHE A 16 -3.643 -4.236 6.506 1.00 74.02 N ATOM 224 CA PHE A 16 -3.353 -3.374 7.647 1.00 75.51 C ATOM 225 C PHE A 16 -2.096 -3.904 8.290 1.00 0.11 C ATOM 226 O PHE A 16 -2.147 -5.006 8.813 1.00 44.22 O ATOM 227 CB PHE A 16 -4.509 -3.349 8.689 1.00 73.11 C ATOM 228 CG PHE A 16 -4.270 -2.369 9.856 1.00 34.22 C ATOM 229 CD1 PHE A 16 -3.917 -1.029 9.636 1.00 74.01 C ATOM 230 CD2 PHE A 16 -4.420 -2.808 11.178 1.00 35.05 C ATOM 231 CE1 PHE A 16 -3.735 -0.149 10.705 1.00 23.34 C ATOM 232 CE2 PHE A 16 -4.254 -1.928 12.251 1.00 21.42 C ATOM 233 CZ PHE A 16 -3.912 -0.594 12.017 1.00 5.45 C ATOM 234 H PHE A 16 -4.407 -4.880 6.575 1.00 70.32 H ATOM 235 HA PHE A 16 -3.208 -2.359 7.252 1.00 34.24 H ATOM 236 HB2 PHE A 16 -5.452 -3.068 8.200 1.00 21.32 H ATOM 237 HB3 PHE A 16 -4.647 -4.373 9.069 1.00 51.30 H ATOM 238 HD1 PHE A 16 -3.782 -0.640 8.636 1.00 71.02 H ATOM 239 HD2 PHE A 16 -4.675 -3.842 11.387 1.00 24.14 H ATOM 240 HE1 PHE A 16 -3.458 0.884 10.517 1.00 14.31 H ATOM 241 HE2 PHE A 16 -4.391 -2.279 13.269 1.00 23.14 H ATOM 242 HZ PHE A 16 -3.785 0.093 12.848 1.00 11.30 H ATOM 243 N GLY A 17 -0.977 -3.139 8.274 1.00 11.40 N ATOM 244 CA GLY A 17 0.258 -3.593 8.910 1.00 52.41 C ATOM 245 C GLY A 17 0.857 -2.438 9.680 1.00 5.31 C ATOM 246 O GLY A 17 0.156 -1.900 10.524 1.00 24.21 O ATOM 247 H GLY A 17 -0.952 -2.249 7.814 1.00 73.34 H ATOM 248 HA2 GLY A 17 0.089 -4.406 9.632 1.00 50.32 H ATOM 249 HA3 GLY A 17 0.934 -3.971 8.127 1.00 72.50 H ATOM 250 N PHE A 18 2.124 -2.037 9.414 1.00 2.23 N ATOM 251 CA PHE A 18 2.734 -0.939 10.165 1.00 21.11 C ATOM 252 C PHE A 18 3.848 -0.311 9.353 1.00 63.42 C ATOM 253 O PHE A 18 4.838 -0.992 9.135 1.00 70.12 O ATOM 254 CB PHE A 18 3.309 -1.477 11.506 1.00 61.33 C ATOM 255 CG PHE A 18 2.257 -1.392 12.623 1.00 61.22 C ATOM 256 CD1 PHE A 18 2.028 -0.162 13.250 1.00 31.30 C ATOM 257 CD2 PHE A 18 1.526 -2.516 13.026 1.00 71.11 C ATOM 258 CE1 PHE A 18 1.087 -0.053 14.277 1.00 42.01 C ATOM 259 CE2 PHE A 18 0.580 -2.408 14.050 1.00 40.54 C ATOM 260 CZ PHE A 18 0.361 -1.178 14.678 1.00 64.40 C ATOM 261 H PHE A 18 2.687 -2.508 8.730 1.00 52.41 H ATOM 262 HA PHE A 18 1.983 -0.165 10.385 1.00 34.10 H ATOM 263 HB2 PHE A 18 3.676 -2.507 11.373 1.00 51.21 H ATOM 264 HB3 PHE A 18 4.166 -0.864 11.832 1.00 25.23 H ATOM 265 HD1 PHE A 18 2.583 0.719 12.941 1.00 62.24 H ATOM 266 HD2 PHE A 18 1.689 -3.475 12.543 1.00 2.41 H ATOM 267 HE1 PHE A 18 0.921 0.904 14.763 1.00 52.02 H ATOM 268 HE2 PHE A 18 0.014 -3.281 14.359 1.00 50.32 H ATOM 269 HZ PHE A 18 -0.370 -1.096 15.476 1.00 34.35 H ATOM 270 N ASN A 19 3.714 0.966 8.917 1.00 33.51 N ATOM 271 CA ASN A 19 4.804 1.655 8.228 1.00 50.32 C ATOM 272 C ASN A 19 5.150 2.871 9.052 1.00 61.45 C ATOM 273 O ASN A 19 5.654 2.770 10.159 1.00 51.45 O ATOM 274 CB ASN A 19 4.365 2.010 6.780 1.00 62.22 C ATOM 275 CG ASN A 19 5.427 2.750 6.000 1.00 10.43 C ATOM 276 OD1 ASN A 19 6.555 2.854 6.458 1.00 21.22 O ATOM 277 ND2 ASN A 19 5.090 3.276 4.802 1.00 61.21 N ATOM 278 OXT ASN A 19 4.873 4.064 8.526 1.00 0.00 O ATOM 279 H ASN A 19 2.878 1.496 9.076 1.00 52.11 H ATOM 280 HA ASN A 19 5.718 1.040 8.173 1.00 55.30 H ATOM 281 HB2 ASN A 19 4.131 1.078 6.242 1.00 73.11 H ATOM 282 HB3 ASN A 19 3.451 2.625 6.820 1.00 30.44 H ATOM 283 HD21 ASN A 19 4.165 3.181 4.435 1.00 52.51 H ATOM 284 HD22 ASN A 19 5.775 3.773 4.267 1.00 23.12 H TER 285 ASN A 19 ENDMDL MODEL 3 ATOM 1 N GLY A 1 1.332 -0.120 1.011 1.00 55.31 N ATOM 2 CA GLY A 1 2.148 -0.084 -0.209 1.00 41.30 C ATOM 3 C GLY A 1 1.745 -0.989 -1.358 1.00 34.21 C ATOM 4 O GLY A 1 2.099 -0.643 -2.473 1.00 62.42 O ATOM 5 H1 GLY A 1 1.456 -0.901 1.629 1.00 43.42 H ATOM 6 HA2 GLY A 1 2.228 0.949 -0.585 1.00 32.30 H ATOM 7 HA3 GLY A 1 3.169 -0.394 0.064 1.00 12.31 H ATOM 8 N THR A 2 1.057 -2.138 -1.153 1.00 52.20 N ATOM 9 CA THR A 2 0.594 -2.975 -2.274 1.00 33.34 C ATOM 10 C THR A 2 -0.827 -2.573 -2.611 1.00 74.11 C ATOM 11 O THR A 2 -1.491 -2.119 -1.695 1.00 2.21 O ATOM 12 CB THR A 2 0.735 -4.505 -1.970 1.00 42.24 C ATOM 13 OG1 THR A 2 1.612 -5.105 -2.944 1.00 21.22 O ATOM 14 CG2 THR A 2 -0.613 -5.286 -1.947 1.00 13.40 C ATOM 15 H THR A 2 0.822 -2.412 -0.225 1.00 51.01 H ATOM 16 HA THR A 2 1.227 -2.765 -3.148 1.00 32.34 H ATOM 17 HB THR A 2 1.221 -4.627 -0.987 1.00 54.12 H ATOM 18 HG1 THR A 2 1.777 -6.030 -2.791 1.00 24.50 H ATOM 19 HG21 THR A 2 -1.051 -5.340 -2.953 1.00 63.14 H ATOM 20 HG22 THR A 2 -1.352 -4.827 -1.277 1.00 35.22 H ATOM 21 HG23 THR A 2 -0.444 -6.317 -1.601 1.00 41.13 H ATOM 22 N PRO A 3 -1.358 -2.693 -3.856 1.00 41.42 N ATOM 23 CA PRO A 3 -2.716 -2.229 -4.116 1.00 3.41 C ATOM 24 C PRO A 3 -3.791 -3.136 -3.554 1.00 53.01 C ATOM 25 O PRO A 3 -3.480 -4.241 -3.141 1.00 52.13 O ATOM 26 CB PRO A 3 -2.719 -2.255 -5.663 1.00 32.20 C ATOM 27 CG PRO A 3 -1.745 -3.404 -6.003 1.00 23.33 C ATOM 28 CD PRO A 3 -0.597 -3.200 -4.989 1.00 4.34 C ATOM 29 HA PRO A 3 -2.861 -1.202 -3.747 1.00 22.02 H ATOM 30 HB2 PRO A 3 -3.716 -2.412 -6.100 1.00 24.34 H ATOM 31 HB3 PRO A 3 -2.302 -1.311 -6.052 1.00 44.35 H ATOM 32 HG2 PRO A 3 -2.243 -4.368 -5.805 1.00 22.54 H ATOM 33 HG3 PRO A 3 -1.396 -3.388 -7.049 1.00 61.42 H ATOM 34 HD2 PRO A 3 -0.066 -4.144 -4.808 1.00 31.10 H ATOM 35 HD3 PRO A 3 0.106 -2.427 -5.341 1.00 72.42 H ATOM 36 N GLY A 4 -5.062 -2.655 -3.533 1.00 23.21 N ATOM 37 CA GLY A 4 -6.154 -3.409 -2.947 1.00 74.51 C ATOM 38 C GLY A 4 -7.266 -2.516 -2.434 1.00 52.12 C ATOM 39 O GLY A 4 -7.361 -1.349 -2.816 1.00 72.32 O ATOM 40 H GLY A 4 -5.223 -1.754 -3.884 1.00 34.41 H ATOM 41 HA2 GLY A 4 -6.558 -4.076 -3.694 1.00 72.32 H ATOM 42 HA3 GLY A 4 -5.772 -3.996 -2.125 1.00 5.13 H ATOM 43 N PHE A 5 -8.111 -3.064 -1.567 1.00 51.21 N ATOM 44 CA PHE A 5 -9.224 -2.309 -1.003 1.00 30.10 C ATOM 45 C PHE A 5 -9.185 -2.341 0.522 1.00 34.31 C ATOM 46 O PHE A 5 -9.952 -1.645 1.187 1.00 71.01 O ATOM 47 CB PHE A 5 -10.556 -2.873 -1.503 1.00 3.03 C ATOM 48 CG PHE A 5 -11.710 -2.585 -0.586 1.00 53.02 C ATOM 49 CD1 PHE A 5 -12.323 -1.342 -0.592 1.00 31.21 C ATOM 50 CD2 PHE A 5 -12.183 -3.557 0.280 1.00 33.05 C ATOM 51 CE1 PHE A 5 -13.385 -1.075 0.251 1.00 12.50 C ATOM 52 CE2 PHE A 5 -13.245 -3.295 1.125 1.00 34.24 C ATOM 53 CZ PHE A 5 -13.848 -2.052 1.110 1.00 63.52 C ATOM 54 H PHE A 5 -7.983 -3.999 -1.301 1.00 14.31 H ATOM 55 HA PHE A 5 -9.130 -1.286 -1.332 1.00 10.20 H ATOM 56 HB2 PHE A 5 -10.782 -2.442 -2.466 1.00 52.22 H ATOM 57 HB3 PHE A 5 -10.469 -3.944 -1.603 1.00 74.35 H ATOM 58 HD1 PHE A 5 -11.963 -0.577 -1.264 1.00 15.34 H ATOM 59 HD2 PHE A 5 -11.713 -4.530 0.293 1.00 24.22 H ATOM 60 HE1 PHE A 5 -13.855 -0.102 0.237 1.00 64.23 H ATOM 61 HE2 PHE A 5 -13.604 -4.062 1.796 1.00 72.35 H ATOM 62 HZ PHE A 5 -14.677 -1.846 1.770 1.00 50.45 H ATOM 63 N GLN A 6 -8.288 -3.155 1.068 1.00 23.22 N ATOM 64 CA GLN A 6 -8.150 -3.279 2.515 1.00 60.45 C ATOM 65 C GLN A 6 -8.073 -1.906 3.174 1.00 62.41 C ATOM 66 O GLN A 6 -9.037 -1.444 3.786 1.00 45.15 O ATOM 67 CB GLN A 6 -6.903 -4.095 2.861 1.00 34.50 C ATOM 68 CG GLN A 6 -7.128 -5.598 2.816 1.00 33.24 C ATOM 69 CD GLN A 6 -5.849 -6.373 2.567 1.00 52.44 C ATOM 70 OE1 GLN A 6 -5.519 -7.303 3.303 1.00 52.23 O ATOM 71 NE2 GLN A 6 -5.121 -5.992 1.524 1.00 64.14 N ATOM 72 H GLN A 6 -7.705 -3.684 0.485 1.00 32.44 H ATOM 73 HA GLN A 6 -9.022 -3.795 2.887 1.00 22.32 H ATOM 74 HB2 GLN A 6 -6.120 -3.849 2.160 1.00 30.11 H ATOM 75 HB3 GLN A 6 -6.580 -3.831 3.857 1.00 34.42 H ATOM 76 HG2 GLN A 6 -7.544 -5.916 3.761 1.00 2.44 H ATOM 77 HG3 GLN A 6 -7.828 -5.821 2.024 1.00 4.01 H ATOM 78 HE21 GLN A 6 -5.445 -5.242 0.982 1.00 10.20 H ATOM 79 HE22 GLN A 6 -4.289 -6.474 1.339 1.00 22.54 H ATOM 80 N THR A 7 -6.924 -1.173 3.117 1.00 13.23 N ATOM 81 CA THR A 7 -6.827 0.129 3.802 1.00 75.52 C ATOM 82 C THR A 7 -5.646 0.953 3.318 1.00 34.03 C ATOM 83 O THR A 7 -4.681 0.334 2.903 1.00 24.45 O ATOM 84 CB THR A 7 -6.762 -0.044 5.356 1.00 62.33 C ATOM 85 OG1 THR A 7 -6.212 1.093 6.047 1.00 5.24 O ATOM 86 CG2 THR A 7 -5.960 -1.296 5.790 1.00 14.30 C ATOM 87 H THR A 7 -6.107 -1.505 2.644 1.00 14.42 H ATOM 88 HA THR A 7 -7.730 0.699 3.526 1.00 42.40 H ATOM 89 HB THR A 7 -7.791 -0.163 5.738 1.00 42.13 H ATOM 90 HG1 THR A 7 -5.291 1.239 5.863 1.00 14.10 H ATOM 91 HG21 THR A 7 -4.961 -1.286 5.335 1.00 71.45 H ATOM 92 HG22 THR A 7 -6.484 -2.220 5.514 1.00 72.22 H ATOM 93 HG23 THR A 7 -5.848 -1.287 6.881 1.00 12.40 H ATOM 94 N PRO A 8 -5.648 2.318 3.331 1.00 1.24 N ATOM 95 CA PRO A 8 -4.523 3.074 2.784 1.00 24.14 C ATOM 96 C PRO A 8 -3.206 2.778 3.465 1.00 42.21 C ATOM 97 O PRO A 8 -3.121 3.029 4.657 1.00 32.14 O ATOM 98 CB PRO A 8 -4.989 4.533 3.036 1.00 64.32 C ATOM 99 CG PRO A 8 -6.035 4.410 4.165 1.00 23.51 C ATOM 100 CD PRO A 8 -6.779 3.103 3.812 1.00 12.40 C ATOM 101 HA PRO A 8 -4.448 2.949 1.698 1.00 31.20 H ATOM 102 HB2 PRO A 8 -4.165 5.215 3.296 1.00 12.02 H ATOM 103 HB3 PRO A 8 -5.499 4.928 2.141 1.00 22.51 H ATOM 104 HG2 PRO A 8 -5.514 4.282 5.129 1.00 61.43 H ATOM 105 HG3 PRO A 8 -6.706 5.281 4.233 1.00 20.32 H ATOM 106 HD2 PRO A 8 -7.309 2.732 4.697 1.00 72.41 H ATOM 107 HD3 PRO A 8 -7.495 3.260 2.990 1.00 31.21 H ATOM 108 N ASP A 9 -2.174 2.270 2.739 1.00 65.35 N ATOM 109 CA ASP A 9 -0.849 2.103 3.341 1.00 41.15 C ATOM 110 C ASP A 9 -0.109 3.419 3.251 1.00 44.03 C ATOM 111 O ASP A 9 0.338 3.923 4.269 1.00 54.14 O ATOM 112 CB ASP A 9 -0.044 0.895 2.774 1.00 32.23 C ATOM 113 CG ASP A 9 0.529 0.920 1.369 1.00 24.14 C ATOM 114 OD1 ASP A 9 0.280 1.855 0.625 1.00 53.42 O ATOM 115 H ASP A 9 -2.270 2.060 1.766 1.00 10.34 H ATOM 116 HA ASP A 9 -0.986 1.876 4.411 1.00 71.30 H ATOM 117 HB2 ASP A 9 0.819 0.739 3.441 1.00 41.44 H ATOM 118 HB3 ASP A 9 -0.705 0.027 2.862 1.00 25.51 H ATOM 119 N ALA A 10 0.006 4.000 2.037 1.00 41.54 N ATOM 120 CA ALA A 10 0.663 5.296 1.876 1.00 31.14 C ATOM 121 C ALA A 10 0.367 5.848 0.493 1.00 51.35 C ATOM 122 O ALA A 10 -0.350 6.832 0.391 1.00 73.14 O ATOM 123 CB ALA A 10 2.190 5.198 2.142 1.00 65.10 C ATOM 124 H ALA A 10 -0.364 3.543 1.229 1.00 31.40 H ATOM 125 HA ALA A 10 0.237 6.000 2.611 1.00 65.11 H ATOM 126 HB1 ALA A 10 2.647 4.380 1.567 1.00 34.35 H ATOM 127 HB2 ALA A 10 2.683 6.142 1.865 1.00 11.13 H ATOM 128 HB3 ALA A 10 2.391 5.006 3.206 1.00 4.43 H ATOM 129 N ARG A 11 0.905 5.214 -0.576 1.00 60.22 N ATOM 130 CA ARG A 11 0.637 5.656 -1.949 1.00 63.44 C ATOM 131 C ARG A 11 -0.551 4.884 -2.498 1.00 71.50 C ATOM 132 O ARG A 11 -1.314 5.463 -3.255 1.00 20.12 O ATOM 133 CB ARG A 11 1.944 5.456 -2.774 1.00 14.01 C ATOM 134 CG ARG A 11 2.159 6.421 -3.980 1.00 54.24 C ATOM 135 CD ARG A 11 1.195 6.206 -5.178 1.00 4.22 C ATOM 136 NE ARG A 11 1.665 6.894 -6.385 1.00 34.22 N ATOM 137 CZ ARG A 11 1.118 6.736 -7.573 1.00 62.31 C ATOM 138 NH1 ARG A 11 0.053 5.993 -7.776 1.00 34.30 N ATOM 139 NH2 ARG A 11 1.658 7.346 -8.605 1.00 4.12 N ATOM 140 H ARG A 11 1.483 4.406 -0.448 1.00 63.24 H ATOM 141 HA ARG A 11 0.406 6.732 -1.956 1.00 21.31 H ATOM 142 HB2 ARG A 11 2.790 5.662 -2.096 1.00 43.13 H ATOM 143 HB3 ARG A 11 2.025 4.405 -3.091 1.00 31.11 H ATOM 144 HG2 ARG A 11 2.100 7.472 -3.650 1.00 5.43 H ATOM 145 HG3 ARG A 11 3.184 6.243 -4.349 1.00 3.12 H ATOM 146 HD2 ARG A 11 1.171 5.126 -5.379 1.00 11.31 H ATOM 147 HD3 ARG A 11 0.189 6.567 -4.914 1.00 75.22 H ATOM 148 HE ARG A 11 2.489 7.510 -6.291 1.00 41.10 H ATOM 149 HH11 ARG A 11 -0.423 5.507 -7.007 1.00 51.35 H ATOM 150 HH12 ARG A 11 -0.343 5.887 -8.722 1.00 25.45 H ATOM 151 HH21 ARG A 11 2.497 7.936 -8.498 1.00 24.34 H ATOM 152 HH22 ARG A 11 1.262 7.244 -9.551 1.00 74.41 H ATOM 153 N VAL A 12 -0.736 3.590 -2.127 1.00 41.03 N ATOM 154 CA VAL A 12 -1.855 2.787 -2.629 1.00 23.45 C ATOM 155 C VAL A 12 -2.528 2.115 -1.445 1.00 60.43 C ATOM 156 O VAL A 12 -2.192 2.463 -0.324 1.00 44.25 O ATOM 157 CB VAL A 12 -1.332 1.810 -3.726 1.00 34.23 C ATOM 158 CG1 VAL A 12 -0.662 2.587 -4.890 1.00 22.51 C ATOM 159 CG2 VAL A 12 -0.336 0.782 -3.133 1.00 4.22 C ATOM 160 H VAL A 12 -0.113 3.128 -1.499 1.00 5.41 H ATOM 161 HA VAL A 12 -2.639 3.421 -3.073 1.00 32.24 H ATOM 162 HB VAL A 12 -2.172 1.260 -4.180 1.00 34.44 H ATOM 163 HG11 VAL A 12 -1.351 3.339 -5.304 1.00 24.11 H ATOM 164 HG12 VAL A 12 0.243 3.095 -4.531 1.00 63.13 H ATOM 165 HG13 VAL A 12 -0.372 1.897 -5.697 1.00 41.22 H ATOM 166 HG21 VAL A 12 0.589 1.291 -2.827 1.00 35.11 H ATOM 167 HG22 VAL A 12 -0.768 0.280 -2.255 1.00 73.51 H ATOM 168 HG23 VAL A 12 -0.084 0.020 -3.887 1.00 30.01 H ATOM 169 N ILE A 13 -3.487 1.181 -1.659 1.00 33.21 N ATOM 170 CA ILE A 13 -4.306 0.650 -0.566 1.00 71.12 C ATOM 171 C ILE A 13 -3.913 -0.784 -0.284 1.00 1.50 C ATOM 172 O ILE A 13 -3.963 -1.563 -1.220 1.00 51.15 O ATOM 173 CB ILE A 13 -5.795 0.795 -0.994 1.00 20.30 C ATOM 174 CG1 ILE A 13 -6.142 2.205 -1.577 1.00 60.13 C ATOM 175 CG2 ILE A 13 -6.789 0.390 0.124 1.00 2.41 C ATOM 176 CD1 ILE A 13 -6.624 2.117 -3.052 1.00 53.23 C ATOM 177 H ILE A 13 -3.714 0.871 -2.578 1.00 33.22 H ATOM 178 HA ILE A 13 -4.184 1.238 0.341 1.00 31.23 H ATOM 179 HB ILE A 13 -5.893 0.056 -1.790 1.00 0.43 H ATOM 180 HG12 ILE A 13 -6.943 2.676 -0.986 1.00 62.45 H ATOM 181 HG13 ILE A 13 -5.277 2.885 -1.528 1.00 20.01 H ATOM 182 HG21 ILE A 13 -6.582 -0.637 0.454 1.00 0.34 H ATOM 183 HG22 ILE A 13 -6.699 1.081 0.972 1.00 64.33 H ATOM 184 HG23 ILE A 13 -7.824 0.438 -0.243 1.00 20.25 H ATOM 185 HD11 ILE A 13 -5.840 1.684 -3.694 1.00 21.23 H ATOM 186 HD12 ILE A 13 -7.525 1.487 -3.124 1.00 51.14 H ATOM 187 HD13 ILE A 13 -6.868 3.121 -3.434 1.00 53.51 H ATOM 188 N SER A 14 -3.517 -1.154 0.962 1.00 23.01 N ATOM 189 CA SER A 14 -2.928 -2.474 1.212 1.00 55.42 C ATOM 190 C SER A 14 -3.398 -3.046 2.531 1.00 33.44 C ATOM 191 O SER A 14 -4.098 -2.355 3.253 1.00 65.10 O ATOM 192 CB SER A 14 -1.387 -2.270 1.272 1.00 52.52 C ATOM 193 OG SER A 14 -0.632 -3.285 0.597 1.00 52.31 O ATOM 194 H SER A 14 -3.512 -0.507 1.726 1.00 11.31 H ATOM 195 HA SER A 14 -3.183 -3.186 0.412 1.00 4.34 H ATOM 196 HB2 SER A 14 -1.143 -1.331 0.752 1.00 20.53 H ATOM 197 HB3 SER A 14 -1.023 -2.194 2.309 1.00 60.14 H ATOM 198 HG SER A 14 -0.694 -4.141 0.999 1.00 14.44 H ATOM 199 N ARG A 15 -3.007 -4.301 2.856 1.00 3.13 N ATOM 200 CA ARG A 15 -3.346 -4.897 4.145 1.00 14.50 C ATOM 201 C ARG A 15 -3.007 -3.994 5.306 1.00 55.23 C ATOM 202 O ARG A 15 -2.146 -3.139 5.166 1.00 51.21 O ATOM 203 CB ARG A 15 -2.790 -6.339 4.371 1.00 53.44 C ATOM 204 CG ARG A 15 -1.266 -6.463 4.669 1.00 71.11 C ATOM 205 CD ARG A 15 -0.338 -6.295 3.429 1.00 31.33 C ATOM 206 NE ARG A 15 -0.754 -7.119 2.283 1.00 33.21 N ATOM 207 CZ ARG A 15 -0.555 -8.417 2.171 1.00 62.21 C ATOM 208 NH1 ARG A 15 0.070 -9.139 3.074 1.00 64.41 N ATOM 209 NH2 ARG A 15 -1.005 -9.031 1.098 1.00 15.22 N ATOM 210 H ARG A 15 -2.528 -4.858 2.189 1.00 32.10 H ATOM 211 HA ARG A 15 -4.441 -4.969 4.148 1.00 43.53 H ATOM 212 HB2 ARG A 15 -3.327 -6.762 5.238 1.00 74.33 H ATOM 213 HB3 ARG A 15 -3.028 -6.974 3.506 1.00 21.32 H ATOM 214 HG2 ARG A 15 -0.974 -5.744 5.452 1.00 54.34 H ATOM 215 HG3 ARG A 15 -1.101 -7.469 5.083 1.00 15.21 H ATOM 216 HD2 ARG A 15 -0.375 -5.231 3.151 1.00 5.02 H ATOM 217 HD3 ARG A 15 0.715 -6.481 3.690 1.00 54.44 H ATOM 218 HE ARG A 15 -1.219 -6.630 1.503 1.00 15.30 H ATOM 219 HH11 ARG A 15 0.462 -8.723 3.925 1.00 1.31 H ATOM 220 HH12 ARG A 15 0.196 -10.154 2.944 1.00 63.14 H ATOM 221 HH21 ARG A 15 -1.506 -8.517 0.356 1.00 50.32 H ATOM 222 HH22 ARG A 15 -0.872 -10.045 0.968 1.00 5.00 H ATOM 223 N PHE A 16 -3.694 -4.173 6.460 1.00 41.10 N ATOM 224 CA PHE A 16 -3.456 -3.292 7.600 1.00 4.44 C ATOM 225 C PHE A 16 -2.082 -3.641 8.123 1.00 53.24 C ATOM 226 O PHE A 16 -1.849 -4.815 8.361 1.00 14.43 O ATOM 227 CB PHE A 16 -4.541 -3.442 8.711 1.00 13.31 C ATOM 228 CG PHE A 16 -4.778 -2.134 9.489 1.00 40.52 C ATOM 229 CD1 PHE A 16 -3.722 -1.496 10.151 1.00 62.03 C ATOM 230 CD2 PHE A 16 -6.054 -1.556 9.541 1.00 70.33 C ATOM 231 CE1 PHE A 16 -3.905 -0.236 10.728 1.00 54.12 C ATOM 232 CE2 PHE A 16 -6.245 -0.303 10.127 1.00 13.22 C ATOM 233 CZ PHE A 16 -5.165 0.369 10.704 1.00 63.44 C ATOM 234 H PHE A 16 -4.361 -4.915 6.554 1.00 33.52 H ATOM 235 HA PHE A 16 -3.493 -2.254 7.232 1.00 4.21 H ATOM 236 HB2 PHE A 16 -5.490 -3.725 8.231 1.00 13.23 H ATOM 237 HB3 PHE A 16 -4.277 -4.245 9.416 1.00 70.02 H ATOM 238 HD1 PHE A 16 -2.753 -1.977 10.224 1.00 44.25 H ATOM 239 HD2 PHE A 16 -6.912 -2.073 9.122 1.00 31.30 H ATOM 240 HE1 PHE A 16 -3.068 0.275 11.195 1.00 73.22 H ATOM 241 HE2 PHE A 16 -7.233 0.149 10.133 1.00 61.00 H ATOM 242 HZ PHE A 16 -5.305 1.356 11.135 1.00 64.52 H ATOM 243 N GLY A 17 -1.173 -2.653 8.290 1.00 25.41 N ATOM 244 CA GLY A 17 0.158 -2.955 8.809 1.00 43.45 C ATOM 245 C GLY A 17 0.841 -1.654 9.156 1.00 71.11 C ATOM 246 O GLY A 17 0.833 -0.783 8.301 1.00 35.43 O ATOM 247 H GLY A 17 -1.384 -1.704 8.045 1.00 1.21 H ATOM 248 HA2 GLY A 17 0.077 -3.612 9.690 1.00 50.13 H ATOM 249 HA3 GLY A 17 0.746 -3.474 8.036 1.00 21.41 H ATOM 250 N PHE A 18 1.412 -1.483 10.373 1.00 34.22 N ATOM 251 CA PHE A 18 1.964 -0.183 10.750 1.00 20.11 C ATOM 252 C PHE A 18 3.191 -0.417 11.603 1.00 35.35 C ATOM 253 O PHE A 18 3.175 -0.132 12.789 1.00 4.12 O ATOM 254 CB PHE A 18 0.834 0.633 11.441 1.00 52.10 C ATOM 255 CG PHE A 18 1.078 2.144 11.292 1.00 1.12 C ATOM 256 CD1 PHE A 18 1.947 2.817 12.159 1.00 50.14 C ATOM 257 CD2 PHE A 18 0.433 2.864 10.278 1.00 30.22 C ATOM 258 CE1 PHE A 18 2.191 4.184 11.995 1.00 22.22 C ATOM 259 CE2 PHE A 18 0.656 4.235 10.128 1.00 22.40 C ATOM 260 CZ PHE A 18 1.543 4.895 10.982 1.00 32.10 C ATOM 261 H PHE A 18 1.404 -2.209 11.065 1.00 54.52 H ATOM 262 HA PHE A 18 2.299 0.375 9.860 1.00 5.35 H ATOM 263 HB2 PHE A 18 -0.125 0.388 10.956 1.00 24.34 H ATOM 264 HB3 PHE A 18 0.729 0.355 12.502 1.00 44.31 H ATOM 265 HD1 PHE A 18 2.437 2.283 12.965 1.00 60.10 H ATOM 266 HD2 PHE A 18 -0.248 2.362 9.597 1.00 32.12 H ATOM 267 HE1 PHE A 18 2.884 4.694 12.657 1.00 3.21 H ATOM 268 HE2 PHE A 18 0.141 4.787 9.348 1.00 51.11 H ATOM 269 HZ PHE A 18 1.728 5.958 10.858 1.00 43.44 H ATOM 270 N ASN A 19 4.272 -0.962 10.995 1.00 74.15 N ATOM 271 CA ASN A 19 5.477 -1.267 11.764 1.00 35.13 C ATOM 272 C ASN A 19 6.681 -1.224 10.856 1.00 10.11 C ATOM 273 O ASN A 19 7.665 -0.543 11.093 1.00 0.00 O ATOM 274 CB ASN A 19 5.312 -2.671 12.401 1.00 3.45 C ATOM 275 CG ASN A 19 6.483 -2.997 13.298 1.00 13.31 C ATOM 276 OD1 ASN A 19 6.355 -2.856 14.505 1.00 12.15 O ATOM 277 ND2 ASN A 19 7.638 -3.430 12.746 1.00 74.11 N ATOM 278 OXT ASN A 19 6.607 -1.984 9.765 1.00 0.00 O ATOM 279 H ASN A 19 4.248 -1.216 10.026 1.00 12.43 H ATOM 280 HA ASN A 19 5.628 -0.519 12.560 1.00 51.31 H ATOM 281 HB2 ASN A 19 4.384 -2.688 12.995 1.00 73.02 H ATOM 282 HB3 ASN A 19 5.217 -3.439 11.617 1.00 53.42 H ATOM 283 HD21 ASN A 19 7.732 -3.554 11.758 1.00 40.41 H ATOM 284 HD22 ASN A 19 8.420 -3.640 13.335 1.00 52.13 H TER 285 ASN A 19 ENDMDL MODEL 4 ATOM 1 N GLY A 1 1.186 0.233 0.908 1.00 33.21 N ATOM 2 CA GLY A 1 1.981 0.238 -0.332 1.00 55.15 C ATOM 3 C GLY A 1 1.603 -0.776 -1.394 1.00 3.35 C ATOM 4 O GLY A 1 1.827 -0.471 -2.554 1.00 52.54 O ATOM 5 H1 GLY A 1 1.379 -0.484 1.579 1.00 41.31 H ATOM 6 HA2 GLY A 1 1.981 1.242 -0.779 1.00 35.11 H ATOM 7 HA3 GLY A 1 3.026 0.014 -0.065 1.00 61.12 H ATOM 8 N THR A 2 1.074 -1.977 -1.060 1.00 40.12 N ATOM 9 CA THR A 2 0.621 -2.937 -2.080 1.00 60.55 C ATOM 10 C THR A 2 -0.830 -2.643 -2.418 1.00 4.24 C ATOM 11 O THR A 2 -1.494 -2.102 -1.550 1.00 63.32 O ATOM 12 CB THR A 2 0.854 -4.419 -1.628 1.00 52.54 C ATOM 13 OG1 THR A 2 1.629 -5.114 -2.625 1.00 54.43 O ATOM 14 CG2 THR A 2 -0.456 -5.213 -1.355 1.00 55.01 C ATOM 15 H THR A 2 0.976 -2.211 -0.099 1.00 64.00 H ATOM 16 HA THR A 2 1.231 -2.779 -2.983 1.00 1.41 H ATOM 17 HB THR A 2 1.456 -4.419 -0.703 1.00 33.34 H ATOM 18 HG1 THR A 2 1.842 -6.010 -2.383 1.00 51.12 H ATOM 19 HG21 THR A 2 -0.991 -5.404 -2.295 1.00 74.35 H ATOM 20 HG22 THR A 2 -1.127 -4.668 -0.678 1.00 62.44 H ATOM 21 HG23 THR A 2 -0.225 -6.186 -0.896 1.00 61.40 H ATOM 22 N PRO A 3 -1.391 -2.950 -3.617 1.00 3.13 N ATOM 23 CA PRO A 3 -2.777 -2.586 -3.898 1.00 54.10 C ATOM 24 C PRO A 3 -3.799 -3.500 -3.251 1.00 12.54 C ATOM 25 O PRO A 3 -3.418 -4.525 -2.709 1.00 21.22 O ATOM 26 CB PRO A 3 -2.787 -2.756 -5.436 1.00 14.41 C ATOM 27 CG PRO A 3 -1.784 -3.906 -5.673 1.00 51.22 C ATOM 28 CD PRO A 3 -0.635 -3.572 -4.695 1.00 53.41 C ATOM 29 HA PRO A 3 -2.978 -1.540 -3.619 1.00 41.52 H ATOM 30 HB2 PRO A 3 -3.782 -2.978 -5.848 1.00 21.55 H ATOM 31 HB3 PRO A 3 -2.400 -1.841 -5.914 1.00 4.31 H ATOM 32 HG2 PRO A 3 -2.254 -4.859 -5.378 1.00 31.23 H ATOM 33 HG3 PRO A 3 -1.446 -3.985 -6.719 1.00 32.45 H ATOM 34 HD2 PRO A 3 -0.092 -4.481 -4.407 1.00 31.35 H ATOM 35 HD3 PRO A 3 0.055 -2.838 -5.141 1.00 35.11 H ATOM 36 N GLY A 4 -5.101 -3.114 -3.304 1.00 14.44 N ATOM 37 CA GLY A 4 -6.157 -3.874 -2.661 1.00 12.34 C ATOM 38 C GLY A 4 -7.282 -2.992 -2.156 1.00 1.40 C ATOM 39 O GLY A 4 -7.430 -1.851 -2.595 1.00 14.34 O ATOM 40 H GLY A 4 -5.312 -2.267 -3.750 1.00 10.42 H ATOM 41 HA2 GLY A 4 -6.559 -4.582 -3.370 1.00 13.32 H ATOM 42 HA3 GLY A 4 -5.738 -4.415 -1.825 1.00 63.03 H ATOM 43 N PHE A 5 -8.078 -3.520 -1.233 1.00 23.55 N ATOM 44 CA PHE A 5 -9.197 -2.774 -0.670 1.00 21.25 C ATOM 45 C PHE A 5 -9.119 -2.744 0.854 1.00 31.11 C ATOM 46 O PHE A 5 -9.911 -2.071 1.512 1.00 12.45 O ATOM 47 CB PHE A 5 -10.524 -3.394 -1.111 1.00 54.34 C ATOM 48 CG PHE A 5 -11.666 -3.091 -0.183 1.00 42.44 C ATOM 49 CD1 PHE A 5 -12.361 -1.897 -0.286 1.00 55.24 C ATOM 50 CD2 PHE A 5 -12.043 -3.999 0.792 1.00 23.33 C ATOM 51 CE1 PHE A 5 -13.413 -1.615 0.566 1.00 44.23 C ATOM 52 CE2 PHE A 5 -13.093 -3.723 1.647 1.00 51.01 C ATOM 53 CZ PHE A 5 -13.778 -2.529 1.534 1.00 11.24 C ATOM 54 H PHE A 5 -7.908 -4.435 -0.923 1.00 35.13 H ATOM 55 HA PHE A 5 -9.140 -1.763 -1.041 1.00 51.20 H ATOM 56 HB2 PHE A 5 -10.783 -3.015 -2.089 1.00 4.12 H ATOM 57 HB3 PHE A 5 -10.413 -4.466 -1.163 1.00 61.24 H ATOM 58 HD1 PHE A 5 -12.076 -1.181 -1.044 1.00 42.52 H ATOM 59 HD2 PHE A 5 -11.507 -4.933 0.882 1.00 34.05 H ATOM 60 HE1 PHE A 5 -13.946 -0.680 0.475 1.00 62.13 H ATOM 61 HE2 PHE A 5 -13.377 -4.439 2.404 1.00 62.23 H ATOM 62 HZ PHE A 5 -14.599 -2.311 2.201 1.00 53.14 H ATOM 63 N GLN A 6 -8.159 -3.479 1.406 1.00 32.12 N ATOM 64 CA GLN A 6 -7.979 -3.538 2.852 1.00 45.31 C ATOM 65 C GLN A 6 -7.976 -2.138 3.457 1.00 14.14 C ATOM 66 O GLN A 6 -8.947 -1.721 4.090 1.00 34.41 O ATOM 67 CB GLN A 6 -6.673 -4.257 3.195 1.00 2.22 C ATOM 68 CG GLN A 6 -6.647 -5.713 2.759 1.00 51.45 C ATOM 69 CD GLN A 6 -5.658 -5.969 1.639 1.00 43.42 C ATOM 70 OE1 GLN A 6 -5.780 -5.412 0.547 1.00 10.23 O ATOM 71 NE2 GLN A 6 -4.669 -6.815 1.904 1.00 53.13 N ATOM 72 H GLN A 6 -7.559 -3.994 0.828 1.00 12.02 H ATOM 73 HA GLN A 6 -8.805 -4.094 3.267 1.00 71.43 H ATOM 74 HB2 GLN A 6 -5.855 -3.743 2.712 1.00 71.53 H ATOM 75 HB3 GLN A 6 -6.527 -4.222 4.265 1.00 52.02 H ATOM 76 HG2 GLN A 6 -6.374 -6.325 3.605 1.00 12.45 H ATOM 77 HG3 GLN A 6 -7.634 -5.990 2.418 1.00 22.23 H ATOM 78 HE21 GLN A 6 -4.636 -7.222 2.795 1.00 23.12 H ATOM 79 HE22 GLN A 6 -4.016 -6.999 1.198 1.00 32.31 H ATOM 80 N THR A 7 -6.900 -1.309 3.291 1.00 54.40 N ATOM 81 CA THR A 7 -6.841 0.011 3.947 1.00 61.34 C ATOM 82 C THR A 7 -5.835 0.926 3.264 1.00 71.10 C ATOM 83 O THR A 7 -4.922 0.366 2.681 1.00 20.14 O ATOM 84 CB THR A 7 -6.446 -0.190 5.448 1.00 21.01 C ATOM 85 OG1 THR A 7 -7.262 0.590 6.341 1.00 31.31 O ATOM 86 CG2 THR A 7 -4.963 0.178 5.734 1.00 73.23 C ATOM 87 H THR A 7 -6.096 -1.559 2.755 1.00 53.34 H ATOM 88 HA THR A 7 -7.837 0.471 3.850 1.00 45.23 H ATOM 89 HB THR A 7 -6.585 -1.252 5.721 1.00 12.42 H ATOM 90 HG1 THR A 7 -8.189 0.380 6.281 1.00 23.55 H ATOM 91 HG21 THR A 7 -4.713 -0.023 6.779 1.00 21.20 H ATOM 92 HG22 THR A 7 -4.781 1.250 5.566 1.00 13.11 H ATOM 93 HG23 THR A 7 -4.278 -0.409 5.106 1.00 75.13 H ATOM 94 N PRO A 8 -5.905 2.287 3.296 1.00 3.13 N ATOM 95 CA PRO A 8 -4.900 3.103 2.617 1.00 74.51 C ATOM 96 C PRO A 8 -3.532 2.981 3.255 1.00 51.55 C ATOM 97 O PRO A 8 -3.416 3.355 4.411 1.00 64.12 O ATOM 98 CB PRO A 8 -5.507 4.518 2.801 1.00 1.25 C ATOM 99 CG PRO A 8 -6.371 4.404 4.077 1.00 61.31 C ATOM 100 CD PRO A 8 -6.986 2.990 3.969 1.00 24.12 C ATOM 101 HA PRO A 8 -4.864 2.907 1.540 1.00 14.53 H ATOM 102 HB2 PRO A 8 -4.743 5.307 2.868 1.00 35.24 H ATOM 103 HB3 PRO A 8 -6.177 4.750 1.955 1.00 10.40 H ATOM 104 HG2 PRO A 8 -5.715 4.453 4.961 1.00 72.14 H ATOM 105 HG3 PRO A 8 -7.131 5.198 4.158 1.00 71.33 H ATOM 106 HD2 PRO A 8 -7.232 2.612 4.968 1.00 20.22 H ATOM 107 HD3 PRO A 8 -7.881 2.990 3.328 1.00 74.52 H ATOM 108 N ASP A 9 -2.489 2.485 2.537 1.00 63.53 N ATOM 109 CA ASP A 9 -1.144 2.434 3.116 1.00 54.03 C ATOM 110 C ASP A 9 -0.473 3.773 2.936 1.00 72.21 C ATOM 111 O ASP A 9 -0.040 4.361 3.915 1.00 30.32 O ATOM 112 CB ASP A 9 -0.272 1.248 2.604 1.00 13.22 C ATOM 113 CG ASP A 9 0.295 1.221 1.198 1.00 61.44 C ATOM 114 OD1 ASP A 9 -0.042 2.067 0.386 1.00 23.33 O ATOM 115 H ASP A 9 -2.596 2.194 1.587 1.00 40.52 H ATOM 116 HA ASP A 9 -1.255 2.253 4.198 1.00 22.02 H ATOM 117 HB2 ASP A 9 0.590 1.156 3.287 1.00 40.45 H ATOM 118 HB3 ASP A 9 -0.899 0.360 2.720 1.00 10.54 H ATOM 119 N ALA A 10 -0.401 4.274 1.683 1.00 40.24 N ATOM 120 CA ALA A 10 0.197 5.584 1.429 1.00 74.43 C ATOM 121 C ALA A 10 -0.268 6.066 0.068 1.00 24.23 C ATOM 122 O ALA A 10 -1.165 6.894 0.027 1.00 3.40 O ATOM 123 CB ALA A 10 1.740 5.533 1.586 1.00 51.11 C ATOM 124 H ALA A 10 -0.751 3.744 0.909 1.00 24.23 H ATOM 125 HA ALA A 10 -0.187 6.302 2.173 1.00 22.14 H ATOM 126 HB1 ALA A 10 2.171 4.695 1.018 1.00 70.34 H ATOM 127 HB2 ALA A 10 2.189 6.475 1.233 1.00 43.02 H ATOM 128 HB3 ALA A 10 2.013 5.392 2.643 1.00 42.24 H ATOM 129 N ARG A 11 0.297 5.553 -1.052 1.00 55.21 N ATOM 130 CA ARG A 11 -0.226 5.894 -2.376 1.00 31.43 C ATOM 131 C ARG A 11 -1.356 4.947 -2.739 1.00 3.34 C ATOM 132 O ARG A 11 -2.294 5.400 -3.377 1.00 62.55 O ATOM 133 CB ARG A 11 0.911 5.857 -3.440 1.00 13.21 C ATOM 134 CG ARG A 11 0.423 6.355 -4.831 1.00 22.12 C ATOM 135 CD ARG A 11 1.503 6.277 -5.951 1.00 63.14 C ATOM 136 NE ARG A 11 2.402 7.442 -5.960 1.00 11.42 N ATOM 137 CZ ARG A 11 3.596 7.492 -5.400 1.00 73.54 C ATOM 138 NH1 ARG A 11 4.112 6.519 -4.683 1.00 71.32 N ATOM 139 NH2 ARG A 11 4.319 8.579 -5.568 1.00 61.21 N ATOM 140 H ARG A 11 1.040 4.886 -1.004 1.00 55.22 H ATOM 141 HA ARG A 11 -0.613 6.926 -2.366 1.00 41.12 H ATOM 142 HB2 ARG A 11 1.734 6.505 -3.094 1.00 33.33 H ATOM 143 HB3 ARG A 11 1.287 4.824 -3.525 1.00 65.54 H ATOM 144 HG2 ARG A 11 -0.429 5.725 -5.140 1.00 60.01 H ATOM 145 HG3 ARG A 11 0.068 7.397 -4.755 1.00 2.13 H ATOM 146 HD2 ARG A 11 2.003 5.297 -5.972 1.00 24.43 H ATOM 147 HD3 ARG A 11 0.958 6.329 -6.912 1.00 5.23 H ATOM 148 HE ARG A 11 2.078 8.267 -6.496 1.00 34.11 H ATOM 149 HH11 ARG A 11 3.601 5.651 -4.498 1.00 22.24 H ATOM 150 HH12 ARG A 11 5.054 6.607 -4.272 1.00 62.04 H ATOM 151 HH21 ARG A 11 3.972 9.374 -6.125 1.00 33.21 H ATOM 152 HH22 ARG A 11 5.260 8.665 -5.155 1.00 44.04 H ATOM 153 N VAL A 12 -1.291 3.646 -2.356 1.00 33.32 N ATOM 154 CA VAL A 12 -2.313 2.670 -2.749 1.00 2.32 C ATOM 155 C VAL A 12 -2.869 2.010 -1.502 1.00 50.32 C ATOM 156 O VAL A 12 -2.572 2.496 -0.422 1.00 31.32 O ATOM 157 CB VAL A 12 -1.719 1.702 -3.819 1.00 74.04 C ATOM 158 CG1 VAL A 12 -1.183 2.492 -5.045 1.00 4.44 C ATOM 159 CG2 VAL A 12 -0.601 0.812 -3.219 1.00 44.02 C ATOM 160 H VAL A 12 -0.533 3.303 -1.802 1.00 45.24 H ATOM 161 HA VAL A 12 -3.190 3.163 -3.199 1.00 13.04 H ATOM 162 HB VAL A 12 -2.510 1.043 -4.212 1.00 32.34 H ATOM 163 HG11 VAL A 12 -0.819 1.796 -5.816 1.00 10.41 H ATOM 164 HG12 VAL A 12 -1.982 3.110 -5.483 1.00 64.41 H ATOM 165 HG13 VAL A 12 -0.350 3.149 -4.754 1.00 60.52 H ATOM 166 HG21 VAL A 12 0.283 1.424 -2.991 1.00 63.40 H ATOM 167 HG22 VAL A 12 -0.938 0.322 -2.294 1.00 1.02 H ATOM 168 HG23 VAL A 12 -0.311 0.033 -3.942 1.00 34.34 H ATOM 169 N ILE A 13 -3.697 0.942 -1.623 1.00 22.40 N ATOM 170 CA ILE A 13 -4.482 0.445 -0.492 1.00 14.30 C ATOM 171 C ILE A 13 -4.010 -0.949 -0.124 1.00 42.55 C ATOM 172 O ILE A 13 -4.119 -1.809 -0.982 1.00 42.30 O ATOM 173 CB ILE A 13 -5.976 0.514 -0.934 1.00 55.53 C ATOM 174 CG1 ILE A 13 -6.371 1.868 -1.616 1.00 30.02 C ATOM 175 CG2 ILE A 13 -6.979 0.159 0.192 1.00 21.40 C ATOM 176 CD1 ILE A 13 -6.859 1.657 -3.076 1.00 13.05 C ATOM 177 H ILE A 13 -3.880 0.520 -2.508 1.00 53.12 H ATOM 178 HA ILE A 13 -4.382 1.097 0.372 1.00 61.43 H ATOM 179 HB ILE A 13 -6.045 -0.279 -1.681 1.00 71.02 H ATOM 180 HG12 ILE A 13 -7.185 2.362 -1.062 1.00 11.24 H ATOM 181 HG13 ILE A 13 -5.531 2.579 -1.624 1.00 11.13 H ATOM 182 HG21 ILE A 13 -8.007 0.149 -0.198 1.00 44.43 H ATOM 183 HG22 ILE A 13 -6.755 -0.832 0.608 1.00 41.14 H ATOM 184 HG23 ILE A 13 -6.935 0.919 0.982 1.00 42.04 H ATOM 185 HD11 ILE A 13 -7.739 0.994 -3.091 1.00 64.13 H ATOM 186 HD12 ILE A 13 -7.140 2.619 -3.532 1.00 50.12 H ATOM 187 HD13 ILE A 13 -6.065 1.203 -3.689 1.00 21.30 H ATOM 188 N SER A 14 -3.482 -1.200 1.105 1.00 4.20 N ATOM 189 CA SER A 14 -2.867 -2.495 1.422 1.00 61.04 C ATOM 190 C SER A 14 -3.299 -3.063 2.750 1.00 73.12 C ATOM 191 O SER A 14 -3.998 -2.381 3.481 1.00 62.55 O ATOM 192 CB SER A 14 -1.340 -2.304 1.583 1.00 40.53 C ATOM 193 OG SER A 14 -0.686 -3.580 1.479 1.00 5.11 O ATOM 194 H SER A 14 -3.431 -0.492 1.810 1.00 31.31 H ATOM 195 HA SER A 14 -3.072 -3.242 0.640 1.00 75.32 H ATOM 196 HB2 SER A 14 -1.000 -1.588 0.825 1.00 11.52 H ATOM 197 HB3 SER A 14 -1.110 -1.888 2.576 1.00 15.14 H ATOM 198 HG SER A 14 0.251 -3.541 1.640 1.00 31.20 H ATOM 199 N ARG A 15 -2.846 -4.303 3.064 1.00 4.35 N ATOM 200 CA ARG A 15 -3.166 -4.910 4.349 1.00 63.22 C ATOM 201 C ARG A 15 -2.938 -3.930 5.474 1.00 32.22 C ATOM 202 O ARG A 15 -1.948 -3.218 5.444 1.00 4.15 O ATOM 203 CB ARG A 15 -2.485 -6.273 4.695 1.00 1.22 C ATOM 204 CG ARG A 15 -0.979 -6.251 5.086 1.00 71.15 C ATOM 205 CD ARG A 15 -0.018 -6.003 3.890 1.00 33.22 C ATOM 206 NE ARG A 15 -0.286 -6.889 2.748 1.00 71.21 N ATOM 207 CZ ARG A 15 0.049 -8.161 2.685 1.00 25.31 C ATOM 208 NH1 ARG A 15 0.706 -8.789 3.634 1.00 75.44 N ATOM 209 NH2 ARG A 15 -0.290 -8.847 1.615 1.00 23.22 N ATOM 210 H ARG A 15 -2.324 -4.832 2.400 1.00 32.10 H ATOM 211 HA ARG A 15 -4.239 -5.127 4.275 1.00 54.53 H ATOM 212 HB2 ARG A 15 -3.034 -6.687 5.559 1.00 60.42 H ATOM 213 HB3 ARG A 15 -2.600 -6.983 3.865 1.00 33.42 H ATOM 214 HG2 ARG A 15 -0.796 -5.508 5.878 1.00 40.21 H ATOM 215 HG3 ARG A 15 -0.745 -7.235 5.520 1.00 43.40 H ATOM 216 HD2 ARG A 15 -0.178 -4.957 3.592 1.00 65.22 H ATOM 217 HD3 ARG A 15 1.037 -6.057 4.199 1.00 71.51 H ATOM 218 HE ARG A 15 -0.760 -6.467 1.934 1.00 55.23 H ATOM 219 HH11 ARG A 15 1.021 -8.310 4.484 1.00 62.24 H ATOM 220 HH12 ARG A 15 0.939 -9.789 3.543 1.00 30.42 H ATOM 221 HH21 ARG A 15 -0.811 -8.410 0.840 1.00 34.51 H ATOM 222 HH22 ARG A 15 -0.050 -9.846 1.523 1.00 74.21 H ATOM 223 N PHE A 16 -3.847 -3.887 6.474 1.00 4.01 N ATOM 224 CA PHE A 16 -3.606 -3.047 7.641 1.00 3.24 C ATOM 225 C PHE A 16 -2.345 -3.489 8.379 1.00 41.44 C ATOM 226 O PHE A 16 -2.039 -4.678 8.450 1.00 62.01 O ATOM 227 CB PHE A 16 -4.807 -3.095 8.588 1.00 61.32 C ATOM 228 CG PHE A 16 -4.619 -2.283 9.837 1.00 52.30 C ATOM 229 CD1 PHE A 16 -4.905 -0.927 9.847 1.00 71.01 C ATOM 230 CD2 PHE A 16 -4.156 -2.874 11.001 1.00 32.52 C ATOM 231 CE1 PHE A 16 -4.734 -0.176 10.995 1.00 62.33 C ATOM 232 CE2 PHE A 16 -3.983 -2.129 12.152 1.00 34.01 C ATOM 233 CZ PHE A 16 -4.271 -0.778 12.149 1.00 73.14 C ATOM 234 H PHE A 16 -4.647 -4.453 6.449 1.00 40.41 H ATOM 235 HA PHE A 16 -3.470 -2.033 7.297 1.00 73.21 H ATOM 236 HB2 PHE A 16 -5.677 -2.716 8.074 1.00 40.15 H ATOM 237 HB3 PHE A 16 -4.984 -4.119 8.880 1.00 75.30 H ATOM 238 HD1 PHE A 16 -5.267 -0.455 8.944 1.00 1.00 H ATOM 239 HD2 PHE A 16 -3.930 -3.930 11.005 1.00 24.53 H ATOM 240 HE1 PHE A 16 -4.960 0.880 10.988 1.00 21.32 H ATOM 241 HE2 PHE A 16 -3.621 -2.602 13.053 1.00 55.21 H ATOM 242 HZ PHE A 16 -4.137 -0.194 13.047 1.00 55.35 H ATOM 243 N GLY A 17 -1.596 -2.533 8.982 1.00 72.22 N ATOM 244 CA GLY A 17 -0.400 -2.883 9.747 1.00 62.22 C ATOM 245 C GLY A 17 0.720 -1.968 9.314 1.00 11.52 C ATOM 246 O GLY A 17 1.231 -2.178 8.225 1.00 61.04 O ATOM 247 H GLY A 17 -1.857 -1.564 8.959 1.00 32.01 H ATOM 248 HA2 GLY A 17 -0.627 -2.784 10.821 1.00 72.44 H ATOM 249 HA3 GLY A 17 -0.060 -3.918 9.577 1.00 11.24 H ATOM 250 N PHE A 18 1.105 -0.958 10.128 1.00 11.33 N ATOM 251 CA PHE A 18 2.148 -0.024 9.712 1.00 62.24 C ATOM 252 C PHE A 18 3.476 -0.512 10.241 1.00 54.33 C ATOM 253 O PHE A 18 3.946 0.006 11.240 1.00 34.03 O ATOM 254 CB PHE A 18 1.781 1.407 10.191 1.00 73.31 C ATOM 255 CG PHE A 18 0.367 1.747 9.688 1.00 24.44 C ATOM 256 CD1 PHE A 18 0.140 1.952 8.321 1.00 52.02 C ATOM 257 CD2 PHE A 18 -0.708 1.844 10.581 1.00 15.41 C ATOM 258 CE1 PHE A 18 -1.154 2.186 7.846 1.00 72.33 C ATOM 259 CE2 PHE A 18 -1.996 2.111 10.109 1.00 72.51 C ATOM 260 CZ PHE A 18 -2.225 2.258 8.739 1.00 42.00 C ATOM 261 H PHE A 18 0.696 -0.834 11.034 1.00 51.52 H ATOM 262 HA PHE A 18 2.214 0.032 8.614 1.00 51.45 H ATOM 263 HB2 PHE A 18 1.822 1.456 11.292 1.00 73.33 H ATOM 264 HB3 PHE A 18 2.502 2.141 9.795 1.00 61.12 H ATOM 265 HD1 PHE A 18 0.968 1.929 7.621 1.00 20.24 H ATOM 266 HD2 PHE A 18 -0.550 1.710 11.647 1.00 43.23 H ATOM 267 HE1 PHE A 18 -1.325 2.313 6.782 1.00 34.31 H ATOM 268 HE2 PHE A 18 -2.817 2.204 10.810 1.00 54.30 H ATOM 269 HZ PHE A 18 -3.232 2.430 8.369 1.00 52.33 H ATOM 270 N ASN A 19 4.090 -1.508 9.558 1.00 31.32 N ATOM 271 CA ASN A 19 5.430 -1.965 9.929 1.00 24.14 C ATOM 272 C ASN A 19 5.411 -2.574 11.309 1.00 14.21 C ATOM 273 O ASN A 19 6.295 -2.394 12.132 1.00 45.50 O ATOM 274 CB ASN A 19 6.449 -0.801 9.774 1.00 72.44 C ATOM 275 CG ASN A 19 7.891 -1.245 9.692 1.00 72.42 C ATOM 276 OD1 ASN A 19 8.190 -2.401 9.949 1.00 34.44 O ATOM 277 ND2 ASN A 19 8.811 -0.323 9.331 1.00 13.33 N ATOM 278 OXT ASN A 19 4.354 -3.336 11.588 1.00 0.00 O ATOM 279 H ASN A 19 3.650 -1.931 8.762 1.00 31.41 H ATOM 280 HA ASN A 19 5.737 -2.765 9.234 1.00 42.13 H ATOM 281 HB2 ASN A 19 6.207 -0.243 8.854 1.00 13.32 H ATOM 282 HB3 ASN A 19 6.354 -0.114 10.628 1.00 43.03 H ATOM 283 HD21 ASN A 19 8.544 0.622 9.138 1.00 3.40 H ATOM 284 HD22 ASN A 19 9.775 -0.580 9.251 1.00 43.20 H TER 285 ASN A 19 ENDMDL MODEL 5 ATOM 1 N GLY A 1 1.310 0.312 0.809 1.00 65.32 N ATOM 2 CA GLY A 1 2.012 0.321 -0.481 1.00 25.12 C ATOM 3 C GLY A 1 1.572 -0.696 -1.516 1.00 1.25 C ATOM 4 O GLY A 1 1.706 -0.392 -2.691 1.00 20.50 O ATOM 5 H1 GLY A 1 1.557 -0.404 1.467 1.00 32.24 H ATOM 6 HA2 GLY A 1 1.972 1.326 -0.928 1.00 51.22 H ATOM 7 HA3 GLY A 1 3.076 0.112 -0.287 1.00 52.34 H ATOM 8 N THR A 2 1.087 -1.907 -1.150 1.00 72.42 N ATOM 9 CA THR A 2 0.566 -2.858 -2.147 1.00 41.32 C ATOM 10 C THR A 2 -0.883 -2.506 -2.432 1.00 13.20 C ATOM 11 O THR A 2 -1.503 -1.964 -1.532 1.00 14.42 O ATOM 12 CB THR A 2 0.765 -4.349 -1.712 1.00 43.14 C ATOM 13 OG1 THR A 2 1.470 -5.063 -2.748 1.00 41.55 O ATOM 14 CG2 THR A 2 -0.562 -5.095 -1.397 1.00 41.13 C ATOM 15 H THR A 2 1.062 -2.151 -0.186 1.00 32.34 H ATOM 16 HA THR A 2 1.151 -2.723 -3.069 1.00 24.10 H ATOM 17 HB THR A 2 1.400 -4.378 -0.810 1.00 40.03 H ATOM 18 HG1 THR A 2 1.668 -5.966 -2.520 1.00 11.15 H ATOM 19 HG21 THR A 2 -1.139 -5.250 -2.319 1.00 41.41 H ATOM 20 HG22 THR A 2 -1.182 -4.535 -0.685 1.00 71.15 H ATOM 21 HG23 THR A 2 -0.342 -6.082 -0.961 1.00 22.42 H ATOM 22 N PRO A 3 -1.490 -2.765 -3.621 1.00 1.53 N ATOM 23 CA PRO A 3 -2.868 -2.341 -3.854 1.00 40.33 C ATOM 24 C PRO A 3 -3.906 -3.237 -3.207 1.00 35.02 C ATOM 25 O PRO A 3 -3.546 -4.284 -2.693 1.00 23.32 O ATOM 26 CB PRO A 3 -2.922 -2.464 -5.396 1.00 54.40 C ATOM 27 CG PRO A 3 -1.977 -3.649 -5.690 1.00 23.11 C ATOM 28 CD PRO A 3 -0.791 -3.393 -4.733 1.00 72.41 C ATOM 29 HA PRO A 3 -3.025 -1.295 -3.545 1.00 11.34 H ATOM 30 HB2 PRO A 3 -3.935 -2.635 -5.789 1.00 43.11 H ATOM 31 HB3 PRO A 3 -2.506 -1.553 -5.856 1.00 30.13 H ATOM 32 HG2 PRO A 3 -2.484 -4.588 -5.410 1.00 2.55 H ATOM 33 HG3 PRO A 3 -1.670 -3.708 -6.747 1.00 34.31 H ATOM 34 HD2 PRO A 3 -0.285 -4.333 -4.479 1.00 60.13 H ATOM 35 HD3 PRO A 3 -0.079 -2.682 -5.182 1.00 53.03 H ATOM 36 N GLY A 4 -5.196 -2.811 -3.224 1.00 40.32 N ATOM 37 CA GLY A 4 -6.257 -3.546 -2.562 1.00 32.23 C ATOM 38 C GLY A 4 -7.339 -2.636 -2.014 1.00 61.43 C ATOM 39 O GLY A 4 -7.463 -1.486 -2.434 1.00 14.42 O ATOM 40 H GLY A 4 -5.390 -1.948 -3.647 1.00 75.24 H ATOM 41 HA2 GLY A 4 -6.701 -4.231 -3.269 1.00 20.34 H ATOM 42 HA3 GLY A 4 -5.832 -4.112 -1.746 1.00 31.13 H ATOM 43 N PHE A 5 -8.125 -3.153 -1.076 1.00 12.14 N ATOM 44 CA PHE A 5 -9.204 -2.380 -0.472 1.00 12.13 C ATOM 45 C PHE A 5 -9.079 -2.366 1.049 1.00 65.51 C ATOM 46 O PHE A 5 -9.824 -1.669 1.737 1.00 64.32 O ATOM 47 CB PHE A 5 -10.562 -2.956 -0.877 1.00 71.45 C ATOM 48 CG PHE A 5 -11.659 -2.652 0.102 1.00 34.31 C ATOM 49 CD1 PHE A 5 -12.349 -1.452 0.040 1.00 60.25 C ATOM 50 CD2 PHE A 5 -12.001 -3.566 1.086 1.00 62.31 C ATOM 51 CE1 PHE A 5 -13.360 -1.169 0.939 1.00 25.32 C ATOM 52 CE2 PHE A 5 -13.011 -3.289 1.988 1.00 65.21 C ATOM 53 CZ PHE A 5 -13.690 -2.089 1.915 1.00 1.33 C ATOM 54 H PHE A 5 -7.976 -4.077 -0.782 1.00 54.45 H ATOM 55 HA PHE A 5 -9.129 -1.367 -0.836 1.00 72.01 H ATOM 56 HB2 PHE A 5 -10.849 -2.545 -1.834 1.00 24.33 H ATOM 57 HB3 PHE A 5 -10.479 -4.029 -0.962 1.00 23.42 H ATOM 58 HD1 PHE A 5 -12.091 -0.732 -0.724 1.00 42.30 H ATOM 59 HD2 PHE A 5 -11.470 -4.505 1.145 1.00 62.13 H ATOM 60 HE1 PHE A 5 -13.888 -0.230 0.879 1.00 14.33 H ATOM 61 HE2 PHE A 5 -13.267 -4.010 2.750 1.00 2.43 H ATOM 62 HZ PHE A 5 -14.479 -1.870 2.619 1.00 74.14 H ATOM 63 N GLN A 6 -8.131 -3.143 1.565 1.00 11.53 N ATOM 64 CA GLN A 6 -7.909 -3.221 3.004 1.00 4.02 C ATOM 65 C GLN A 6 -7.847 -1.828 3.622 1.00 31.13 C ATOM 66 O GLN A 6 -8.784 -1.392 4.291 1.00 14.44 O ATOM 67 CB GLN A 6 -6.615 -3.981 3.301 1.00 63.12 C ATOM 68 CG GLN A 6 -6.657 -5.442 2.881 1.00 51.50 C ATOM 69 CD GLN A 6 -6.056 -5.672 1.509 1.00 43.04 C ATOM 70 OE1 GLN A 6 -6.753 -5.618 0.495 1.00 32.24 O ATOM 71 NE2 GLN A 6 -4.754 -5.930 1.468 1.00 22.54 N ATOM 72 H GLN A 6 -7.569 -3.675 0.965 1.00 53.30 H ATOM 73 HA GLN A 6 -8.738 -3.758 3.439 1.00 52.32 H ATOM 74 HB2 GLN A 6 -5.801 -3.501 2.777 1.00 33.51 H ATOM 75 HB3 GLN A 6 -6.423 -3.940 4.363 1.00 64.02 H ATOM 76 HG2 GLN A 6 -6.105 -6.026 3.602 1.00 62.35 H ATOM 77 HG3 GLN A 6 -7.686 -5.769 2.867 1.00 53.43 H ATOM 78 HE21 GLN A 6 -4.262 -5.959 2.316 1.00 4.11 H ATOM 79 HE22 GLN A 6 -4.339 -6.084 0.595 1.00 72.31 H ATOM 80 N THR A 7 -6.749 -1.031 3.460 1.00 22.34 N ATOM 81 CA THR A 7 -6.656 0.265 4.152 1.00 70.51 C ATOM 82 C THR A 7 -5.573 1.142 3.540 1.00 13.02 C ATOM 83 O THR A 7 -4.664 0.555 2.976 1.00 13.42 O ATOM 84 CB THR A 7 -6.442 0.001 5.678 1.00 24.05 C ATOM 85 OG1 THR A 7 -7.301 0.807 6.506 1.00 54.22 O ATOM 86 CG2 THR A 7 -4.981 0.259 6.128 1.00 52.21 C ATOM 87 H THR A 7 -5.959 -1.298 2.914 1.00 73.24 H ATOM 88 HA THR A 7 -7.614 0.783 4.006 1.00 21.44 H ATOM 89 HB THR A 7 -6.663 -1.057 5.914 1.00 25.20 H ATOM 90 HG1 THR A 7 -8.226 0.646 6.347 1.00 64.44 H ATOM 91 HG21 THR A 7 -4.704 1.319 6.003 1.00 74.44 H ATOM 92 HG22 THR A 7 -4.283 -0.367 5.548 1.00 15.35 H ATOM 93 HG23 THR A 7 -4.890 0.007 7.196 1.00 55.44 H ATOM 94 N PRO A 8 -5.596 2.500 3.594 1.00 45.21 N ATOM 95 CA PRO A 8 -4.586 3.286 2.895 1.00 63.43 C ATOM 96 C PRO A 8 -3.200 3.094 3.472 1.00 4.23 C ATOM 97 O PRO A 8 -3.037 3.378 4.648 1.00 13.24 O ATOM 98 CB PRO A 8 -5.120 4.724 3.129 1.00 44.42 C ATOM 99 CG PRO A 8 -5.963 4.615 4.419 1.00 33.31 C ATOM 100 CD PRO A 8 -6.643 3.236 4.282 1.00 41.35 C ATOM 101 HA PRO A 8 -4.611 3.103 1.814 1.00 74.34 H ATOM 102 HB2 PRO A 8 -4.321 5.479 3.209 1.00 24.15 H ATOM 103 HB3 PRO A 8 -5.794 5.011 2.301 1.00 54.13 H ATOM 104 HG2 PRO A 8 -5.287 4.607 5.291 1.00 13.01 H ATOM 105 HG3 PRO A 8 -6.683 5.442 4.536 1.00 52.32 H ATOM 106 HD2 PRO A 8 -6.899 2.854 5.275 1.00 41.34 H ATOM 107 HD3 PRO A 8 -7.542 3.303 3.648 1.00 63.45 H ATOM 108 N ASP A 9 -2.195 2.632 2.679 1.00 31.03 N ATOM 109 CA ASP A 9 -0.825 2.530 3.188 1.00 32.43 C ATOM 110 C ASP A 9 -0.118 3.849 2.975 1.00 34.53 C ATOM 111 O ASP A 9 0.379 4.417 3.935 1.00 11.14 O ATOM 112 CB ASP A 9 -0.035 1.318 2.610 1.00 24.11 C ATOM 113 CG ASP A 9 0.432 1.288 1.165 1.00 34.33 C ATOM 114 OD1 ASP A 9 0.008 2.164 0.366 1.00 4.03 O ATOM 115 H ASP A 9 -2.344 2.399 1.717 1.00 2.24 H ATOM 116 HA ASP A 9 -0.872 2.344 4.277 1.00 61.50 H ATOM 117 HB2 ASP A 9 0.871 1.194 3.226 1.00 43.53 H ATOM 118 HB3 ASP A 9 -0.680 0.450 2.773 1.00 64.10 H ATOM 119 N ALA A 10 -0.080 4.357 1.723 1.00 53.53 N ATOM 120 CA ALA A 10 0.557 5.642 1.451 1.00 15.34 C ATOM 121 C ALA A 10 0.043 6.157 0.119 1.00 32.41 C ATOM 122 O ALA A 10 -0.856 6.984 0.142 1.00 63.31 O ATOM 123 CB ALA A 10 2.102 5.521 1.537 1.00 60.34 C ATOM 124 H ALA A 10 -0.481 3.850 0.962 1.00 53.45 H ATOM 125 HA ALA A 10 0.251 6.367 2.223 1.00 63.20 H ATOM 126 HB1 ALA A 10 2.461 4.668 0.940 1.00 42.01 H ATOM 127 HB2 ALA A 10 2.574 6.448 1.171 1.00 73.30 H ATOM 128 HB3 ALA A 10 2.422 5.356 2.581 1.00 43.50 H ATOM 129 N ARG A 11 0.560 5.692 -1.044 1.00 43.52 N ATOM 130 CA ARG A 11 -0.039 6.076 -2.323 1.00 43.34 C ATOM 131 C ARG A 11 -1.255 5.204 -2.565 1.00 13.11 C ATOM 132 O ARG A 11 -2.272 5.734 -2.984 1.00 23.13 O ATOM 133 CB ARG A 11 0.967 5.950 -3.507 1.00 21.22 C ATOM 134 CG ARG A 11 0.310 6.396 -4.849 1.00 71.21 C ATOM 135 CD ARG A 11 1.215 6.196 -6.101 1.00 32.35 C ATOM 136 NE ARG A 11 2.183 7.273 -6.335 1.00 13.02 N ATOM 137 CZ ARG A 11 2.902 7.374 -7.436 1.00 52.35 C ATOM 138 NH1 ARG A 11 2.875 6.471 -8.391 1.00 42.04 N ATOM 139 NH2 ARG A 11 3.681 8.421 -7.594 1.00 63.24 N ATOM 140 H ARG A 11 1.304 5.024 -1.059 1.00 25.34 H ATOM 141 HA ARG A 11 -0.338 7.136 -2.286 1.00 31.11 H ATOM 142 HB2 ARG A 11 1.850 6.578 -3.301 1.00 65.30 H ATOM 143 HB3 ARG A 11 1.301 4.902 -3.579 1.00 52.23 H ATOM 144 HG2 ARG A 11 -0.599 5.790 -5.002 1.00 54.01 H ATOM 145 HG3 ARG A 11 -0.003 7.454 -4.790 1.00 73.25 H ATOM 146 HD2 ARG A 11 1.729 5.226 -6.026 1.00 73.31 H ATOM 147 HD3 ARG A 11 0.535 6.179 -6.969 1.00 5.25 H ATOM 148 HE ARG A 11 2.263 8.002 -5.608 1.00 11.10 H ATOM 149 HH11 ARG A 11 2.303 5.619 -8.321 1.00 41.44 H ATOM 150 HH12 ARG A 11 3.444 6.585 -9.244 1.00 13.24 H ATOM 151 HH21 ARG A 11 3.734 9.160 -6.878 1.00 52.15 H ATOM 152 HH22 ARG A 11 4.253 8.536 -8.444 1.00 51.42 H ATOM 153 N VAL A 12 -1.167 3.871 -2.326 1.00 2.24 N ATOM 154 CA VAL A 12 -2.252 2.944 -2.671 1.00 12.34 C ATOM 155 C VAL A 12 -2.789 2.301 -1.407 1.00 35.02 C ATOM 156 O VAL A 12 -2.500 2.820 -0.340 1.00 62.22 O ATOM 157 CB VAL A 12 -1.776 1.971 -3.794 1.00 62.02 C ATOM 158 CG1 VAL A 12 -1.213 2.756 -5.009 1.00 75.13 C ATOM 159 CG2 VAL A 12 -0.714 0.975 -3.276 1.00 13.11 C ATOM 160 H VAL A 12 -0.342 3.481 -1.923 1.00 34.15 H ATOM 161 HA VAL A 12 -3.118 3.480 -3.090 1.00 4.34 H ATOM 162 HB VAL A 12 -2.632 1.394 -4.182 1.00 74.11 H ATOM 163 HG11 VAL A 12 -0.953 2.062 -5.823 1.00 54.20 H ATOM 164 HG12 VAL A 12 -1.963 3.468 -5.384 1.00 71.13 H ATOM 165 HG13 VAL A 12 -0.304 3.312 -4.739 1.00 71.21 H ATOM 166 HG21 VAL A 12 -0.511 0.205 -4.039 1.00 63.11 H ATOM 167 HG22 VAL A 12 0.220 1.515 -3.058 1.00 71.24 H ATOM 168 HG23 VAL A 12 -1.072 0.485 -2.359 1.00 2.23 H ATOM 169 N ILE A 13 -3.593 1.210 -1.493 1.00 64.11 N ATOM 170 CA ILE A 13 -4.351 0.716 -0.346 1.00 63.42 C ATOM 171 C ILE A 13 -3.905 -0.693 -0.019 1.00 33.52 C ATOM 172 O ILE A 13 -4.081 -1.544 -0.878 1.00 53.33 O ATOM 173 CB ILE A 13 -5.854 0.815 -0.743 1.00 31.12 C ATOM 174 CG1 ILE A 13 -6.244 2.210 -1.341 1.00 61.11 C ATOM 175 CG2 ILE A 13 -6.806 0.422 0.417 1.00 74.43 C ATOM 176 CD1 ILE A 13 -6.599 2.126 -2.852 1.00 44.20 C ATOM 177 H ILE A 13 -3.769 0.751 -2.359 1.00 64.20 H ATOM 178 HA ILE A 13 -4.215 1.347 0.531 1.00 31.33 H ATOM 179 HB ILE A 13 -5.976 0.057 -1.522 1.00 1.12 H ATOM 180 HG12 ILE A 13 -7.126 2.620 -0.823 1.00 41.42 H ATOM 181 HG13 ILE A 13 -5.435 2.944 -1.203 1.00 42.31 H ATOM 182 HG21 ILE A 13 -6.593 -0.595 0.769 1.00 60.24 H ATOM 183 HG22 ILE A 13 -6.703 1.134 1.244 1.00 33.31 H ATOM 184 HG23 ILE A 13 -7.850 0.455 0.076 1.00 34.10 H ATOM 185 HD11 ILE A 13 -5.748 1.747 -3.437 1.00 35.04 H ATOM 186 HD12 ILE A 13 -7.458 1.453 -3.000 1.00 62.44 H ATOM 187 HD13 ILE A 13 -6.868 3.121 -3.242 1.00 32.32 H ATOM 188 N SER A 14 -3.324 -0.964 1.181 1.00 61.43 N ATOM 189 CA SER A 14 -2.748 -2.281 1.473 1.00 11.34 C ATOM 190 C SER A 14 -3.182 -2.846 2.800 1.00 72.22 C ATOM 191 O SER A 14 -3.885 -2.170 3.538 1.00 33.35 O ATOM 192 CB SER A 14 -1.209 -2.164 1.591 1.00 3.55 C ATOM 193 OG SER A 14 -0.612 -3.465 1.458 1.00 24.10 O ATOM 194 H SER A 14 -3.217 -0.259 1.884 1.00 32.03 H ATOM 195 HA SER A 14 -2.998 -3.011 0.688 1.00 3.45 H ATOM 196 HB2 SER A 14 -0.858 -1.457 0.828 1.00 14.30 H ATOM 197 HB3 SER A 14 -0.932 -1.775 2.581 1.00 72.21 H ATOM 198 HG SER A 14 0.330 -3.466 1.593 1.00 42.41 H ATOM 199 N ARG A 15 -2.728 -4.084 3.111 1.00 35.22 N ATOM 200 CA ARG A 15 -3.075 -4.700 4.384 1.00 61.41 C ATOM 201 C ARG A 15 -2.768 -3.754 5.509 1.00 75.54 C ATOM 202 O ARG A 15 -1.747 -3.088 5.454 1.00 53.32 O ATOM 203 CB ARG A 15 -2.505 -6.119 4.698 1.00 40.35 C ATOM 204 CG ARG A 15 -0.986 -6.226 5.027 1.00 43.13 C ATOM 205 CD ARG A 15 -0.039 -6.058 3.806 1.00 50.20 C ATOM 206 NE ARG A 15 -0.426 -6.899 2.664 1.00 75.32 N ATOM 207 CZ ARG A 15 -0.202 -8.194 2.572 1.00 52.14 C ATOM 208 NH1 ARG A 15 0.424 -8.891 3.494 1.00 74.11 N ATOM 209 NH2 ARG A 15 -0.625 -8.829 1.500 1.00 64.34 N ATOM 210 H ARG A 15 -2.180 -4.599 2.457 1.00 24.43 H ATOM 211 HA ARG A 15 -4.165 -4.820 4.351 1.00 10.22 H ATOM 212 HB2 ARG A 15 -3.041 -6.479 5.594 1.00 24.24 H ATOM 213 HB3 ARG A 15 -2.741 -6.811 3.876 1.00 71.42 H ATOM 214 HG2 ARG A 15 -0.716 -5.497 5.808 1.00 5.43 H ATOM 215 HG3 ARG A 15 -0.821 -7.226 5.458 1.00 23.14 H ATOM 216 HD2 ARG A 15 -0.095 -4.998 3.519 1.00 30.41 H ATOM 217 HD3 ARG A 15 1.015 -6.219 4.085 1.00 50.40 H ATOM 218 HE ARG A 15 -0.890 -6.425 1.874 1.00 41.51 H ATOM 219 HH11 ARG A 15 0.794 -8.456 4.345 1.00 30.03 H ATOM 220 HH12 ARG A 15 0.571 -9.906 3.382 1.00 73.21 H ATOM 221 HH21 ARG A 15 -1.124 -8.334 0.745 1.00 60.33 H ATOM 222 HH22 ARG A 15 -0.472 -9.843 1.384 1.00 55.42 H ATOM 223 N PHE A 16 -3.616 -3.697 6.563 1.00 21.22 N ATOM 224 CA PHE A 16 -3.298 -2.849 7.710 1.00 13.41 C ATOM 225 C PHE A 16 -2.024 -3.337 8.359 1.00 42.51 C ATOM 226 O PHE A 16 -1.670 -4.487 8.153 1.00 42.30 O ATOM 227 CB PHE A 16 -4.447 -2.816 8.757 1.00 1.22 C ATOM 228 CG PHE A 16 -4.689 -4.219 9.339 1.00 35.13 C ATOM 229 CD1 PHE A 16 -3.862 -4.709 10.358 1.00 72.42 C ATOM 230 CD2 PHE A 16 -5.731 -5.024 8.864 1.00 11.12 C ATOM 231 CE1 PHE A 16 -4.029 -6.009 10.843 1.00 35.12 C ATOM 232 CE2 PHE A 16 -5.900 -6.325 9.347 1.00 52.43 C ATOM 233 CZ PHE A 16 -5.043 -6.822 10.331 1.00 21.24 C ATOM 234 H PHE A 16 -4.445 -4.255 6.592 1.00 15.11 H ATOM 235 HA PHE A 16 -3.132 -1.824 7.342 1.00 71.52 H ATOM 236 HB2 PHE A 16 -4.195 -2.124 9.577 1.00 70.12 H ATOM 237 HB3 PHE A 16 -5.362 -2.438 8.276 1.00 64.40 H ATOM 238 HD1 PHE A 16 -3.083 -4.082 10.779 1.00 3.13 H ATOM 239 HD2 PHE A 16 -6.418 -4.646 8.113 1.00 13.13 H ATOM 240 HE1 PHE A 16 -3.370 -6.388 11.618 1.00 64.14 H ATOM 241 HE2 PHE A 16 -6.698 -6.949 8.956 1.00 62.04 H ATOM 242 HZ PHE A 16 -5.166 -7.837 10.698 1.00 13.23 H ATOM 243 N GLY A 17 -1.335 -2.475 9.145 1.00 74.21 N ATOM 244 CA GLY A 17 -0.096 -2.876 9.809 1.00 43.10 C ATOM 245 C GLY A 17 0.943 -1.807 9.565 1.00 1.23 C ATOM 246 O GLY A 17 1.205 -1.534 8.404 1.00 13.40 O ATOM 247 H GLY A 17 -1.667 -1.543 9.310 1.00 71.43 H ATOM 248 HA2 GLY A 17 -0.306 -3.020 10.880 1.00 12.23 H ATOM 249 HA3 GLY A 17 0.313 -3.820 9.416 1.00 55.41 H ATOM 250 N PHE A 18 1.545 -1.196 10.614 1.00 1.22 N ATOM 251 CA PHE A 18 2.562 -0.171 10.384 1.00 32.43 C ATOM 252 C PHE A 18 3.873 -0.857 10.073 1.00 22.32 C ATOM 253 O PHE A 18 4.724 -0.929 10.944 1.00 62.23 O ATOM 254 CB PHE A 18 2.690 0.779 11.606 1.00 61.30 C ATOM 255 CG PHE A 18 1.372 1.539 11.818 1.00 34.23 C ATOM 256 CD1 PHE A 18 1.036 2.595 10.963 1.00 30.22 C ATOM 257 CD2 PHE A 18 0.497 1.193 12.855 1.00 23.21 C ATOM 258 CE1 PHE A 18 -0.163 3.293 11.135 1.00 13.42 C ATOM 259 CE2 PHE A 18 -0.697 1.898 13.036 1.00 13.13 C ATOM 260 CZ PHE A 18 -1.030 2.946 12.174 1.00 14.54 C ATOM 261 H PHE A 18 1.337 -1.458 11.558 1.00 53.53 H ATOM 262 HA PHE A 18 2.283 0.459 9.523 1.00 20.22 H ATOM 263 HB2 PHE A 18 2.959 0.206 12.508 1.00 12.31 H ATOM 264 HB3 PHE A 18 3.493 1.513 11.426 1.00 1.45 H ATOM 265 HD1 PHE A 18 1.707 2.880 10.158 1.00 52.24 H ATOM 266 HD2 PHE A 18 0.739 0.376 13.526 1.00 74.01 H ATOM 267 HE1 PHE A 18 -0.420 4.104 10.461 1.00 12.40 H ATOM 268 HE2 PHE A 18 -1.367 1.630 13.846 1.00 51.12 H ATOM 269 HZ PHE A 18 -1.959 3.491 12.312 1.00 54.42 H ATOM 270 N ASN A 19 4.047 -1.356 8.825 1.00 63.12 N ATOM 271 CA ASN A 19 5.313 -1.977 8.433 1.00 15.53 C ATOM 272 C ASN A 19 5.666 -3.125 9.348 1.00 44.05 C ATOM 273 O ASN A 19 4.914 -3.532 10.218 1.00 23.15 O ATOM 274 CB ASN A 19 6.442 -0.913 8.362 1.00 53.43 C ATOM 275 CG ASN A 19 6.052 0.196 7.411 1.00 70.22 C ATOM 276 OD1 ASN A 19 6.442 0.141 6.255 1.00 33.53 O ATOM 277 ND2 ASN A 19 5.280 1.212 7.857 1.00 53.15 N ATOM 278 OXT ASN A 19 6.855 -3.691 9.153 1.00 0.00 O ATOM 279 H ASN A 19 3.324 -1.279 8.134 1.00 35.00 H ATOM 280 HA ASN A 19 5.210 -2.411 7.423 1.00 61.10 H ATOM 281 HB2 ASN A 19 6.646 -0.497 9.359 1.00 23.14 H ATOM 282 HB3 ASN A 19 7.372 -1.387 8.007 1.00 21.44 H ATOM 283 HD21 ASN A 19 4.975 1.261 8.808 1.00 43.15 H ATOM 284 HD22 ASN A 19 5.010 1.943 7.228 1.00 31.04 H TER 285 ASN A 19 ENDMDL MODEL 6 ATOM 1 N GLY A 1 1.155 -0.096 1.124 1.00 34.43 N ATOM 2 CA GLY A 1 2.023 -0.166 -0.060 1.00 42.21 C ATOM 3 C GLY A 1 1.633 -1.157 -1.141 1.00 73.24 C ATOM 4 O GLY A 1 1.932 -0.873 -2.288 1.00 72.24 O ATOM 5 H1 GLY A 1 1.255 -0.812 1.815 1.00 45.33 H ATOM 6 HA2 GLY A 1 2.135 0.832 -0.513 1.00 65.41 H ATOM 7 HA3 GLY A 1 3.029 -0.467 0.274 1.00 74.30 H ATOM 8 N THR A 2 1.015 -2.322 -0.838 1.00 32.24 N ATOM 9 CA THR A 2 0.555 -3.253 -1.882 1.00 73.03 C ATOM 10 C THR A 2 -0.853 -2.868 -2.301 1.00 34.13 C ATOM 11 O THR A 2 -1.527 -2.280 -1.472 1.00 71.21 O ATOM 12 CB THR A 2 0.669 -4.744 -1.416 1.00 34.32 C ATOM 13 OG1 THR A 2 1.427 -5.500 -2.378 1.00 72.31 O ATOM 14 CG2 THR A 2 -0.703 -5.439 -1.186 1.00 12.10 C ATOM 15 H THR A 2 0.856 -2.549 0.115 1.00 45.41 H ATOM 16 HA THR A 2 1.226 -3.142 -2.744 1.00 10.33 H ATOM 17 HB THR A 2 1.238 -4.781 -0.470 1.00 74.04 H ATOM 18 HG1 THR A 2 1.567 -6.407 -2.126 1.00 53.53 H ATOM 19 HG21 THR A 2 -1.354 -4.844 -0.532 1.00 13.11 H ATOM 20 HG22 THR A 2 -0.558 -6.424 -0.718 1.00 62.43 H ATOM 21 HG23 THR A 2 -1.219 -5.595 -2.142 1.00 4.43 H ATOM 22 N PRO A 3 -1.362 -3.146 -3.531 1.00 31.41 N ATOM 23 CA PRO A 3 -2.702 -2.694 -3.892 1.00 13.34 C ATOM 24 C PRO A 3 -3.819 -3.539 -3.317 1.00 51.40 C ATOM 25 O PRO A 3 -3.538 -4.584 -2.755 1.00 24.03 O ATOM 26 CB PRO A 3 -2.631 -2.860 -5.429 1.00 13.44 C ATOM 27 CG PRO A 3 -1.698 -4.078 -5.610 1.00 55.54 C ATOM 28 CD PRO A 3 -0.590 -3.825 -4.562 1.00 50.32 C ATOM 29 HA PRO A 3 -2.855 -1.638 -3.623 1.00 14.41 H ATOM 30 HB2 PRO A 3 -3.610 -3.014 -5.904 1.00 70.31 H ATOM 31 HB3 PRO A 3 -2.152 -1.975 -5.880 1.00 11.23 H ATOM 32 HG2 PRO A 3 -2.251 -4.996 -5.349 1.00 50.41 H ATOM 33 HG3 PRO A 3 -1.299 -4.182 -6.633 1.00 21.31 H ATOM 34 HD2 PRO A 3 -0.135 -4.768 -4.236 1.00 11.21 H ATOM 35 HD3 PRO A 3 0.177 -3.145 -4.964 1.00 0.43 H ATOM 36 N GLY A 4 -5.091 -3.077 -3.451 1.00 42.10 N ATOM 37 CA GLY A 4 -6.225 -3.768 -2.865 1.00 45.31 C ATOM 38 C GLY A 4 -7.322 -2.816 -2.432 1.00 33.53 C ATOM 39 O GLY A 4 -7.377 -1.673 -2.884 1.00 51.22 O ATOM 40 H GLY A 4 -5.224 -2.219 -3.906 1.00 1.23 H ATOM 41 HA2 GLY A 4 -6.626 -4.458 -3.592 1.00 15.22 H ATOM 42 HA3 GLY A 4 -5.886 -4.325 -2.004 1.00 11.55 H ATOM 43 N PHE A 5 -8.200 -3.290 -1.554 1.00 14.54 N ATOM 44 CA PHE A 5 -9.304 -2.474 -1.061 1.00 12.30 C ATOM 45 C PHE A 5 -9.309 -2.429 0.464 1.00 32.43 C ATOM 46 O PHE A 5 -10.095 -1.703 1.071 1.00 12.51 O ATOM 47 CB PHE A 5 -10.639 -3.022 -1.571 1.00 4.21 C ATOM 48 CG PHE A 5 -11.811 -2.637 -0.715 1.00 52.40 C ATOM 49 CD1 PHE A 5 -12.331 -1.353 -0.766 1.00 21.11 C ATOM 50 CD2 PHE A 5 -12.394 -3.558 0.140 1.00 52.11 C ATOM 51 CE1 PHE A 5 -13.409 -0.996 0.021 1.00 13.12 C ATOM 52 CE2 PHE A 5 -13.473 -3.207 0.929 1.00 12.42 C ATOM 53 CZ PHE A 5 -13.982 -1.924 0.869 1.00 60.12 C ATOM 54 H PHE A 5 -8.104 -4.210 -1.230 1.00 10.24 H ATOM 55 HA PHE A 5 -9.169 -1.472 -1.438 1.00 4.21 H ATOM 56 HB2 PHE A 5 -10.817 -2.645 -2.567 1.00 35.13 H ATOM 57 HB3 PHE A 5 -10.588 -4.100 -1.602 1.00 14.33 H ATOM 58 HD1 PHE A 5 -11.885 -0.626 -1.429 1.00 60.40 H ATOM 59 HD2 PHE A 5 -11.997 -4.562 0.188 1.00 62.24 H ATOM 60 HE1 PHE A 5 -13.805 0.007 -0.028 1.00 14.40 H ATOM 61 HE2 PHE A 5 -13.918 -3.935 1.591 1.00 53.03 H ATOM 62 HZ PHE A 5 -14.824 -1.647 1.485 1.00 73.30 H ATOM 63 N GLN A 6 -8.427 -3.213 1.076 1.00 43.30 N ATOM 64 CA GLN A 6 -8.330 -3.264 2.530 1.00 73.00 C ATOM 65 C GLN A 6 -8.276 -1.859 3.122 1.00 71.42 C ATOM 66 O GLN A 6 -9.250 -1.380 3.703 1.00 34.51 O ATOM 67 CB GLN A 6 -7.092 -4.056 2.952 1.00 21.44 C ATOM 68 CG GLN A 6 -7.136 -5.519 2.542 1.00 74.34 C ATOM 69 CD GLN A 6 -6.418 -5.780 1.232 1.00 15.20 C ATOM 70 OE1 GLN A 6 -7.024 -5.740 0.160 1.00 4.24 O ATOM 71 NE2 GLN A 6 -5.121 -6.049 1.311 1.00 5.34 N ATOM 72 H GLN A 6 -7.827 -3.769 0.537 1.00 32.12 H ATOM 73 HA GLN A 6 -9.211 -3.764 2.903 1.00 60.40 H ATOM 74 HB2 GLN A 6 -6.220 -3.605 2.504 1.00 42.23 H ATOM 75 HB3 GLN A 6 -6.999 -4.010 4.027 1.00 1.24 H ATOM 76 HG2 GLN A 6 -6.669 -6.111 3.314 1.00 23.52 H ATOM 77 HG3 GLN A 6 -8.169 -5.819 2.435 1.00 4.45 H ATOM 78 HE21 GLN A 6 -4.705 -6.065 2.200 1.00 52.14 H ATOM 79 HE22 GLN A 6 -4.632 -6.222 0.481 1.00 50.12 H ATOM 80 N THR A 7 -7.147 -1.096 2.998 1.00 51.43 N ATOM 81 CA THR A 7 -7.048 0.231 3.633 1.00 0.43 C ATOM 82 C THR A 7 -5.942 1.074 3.005 1.00 12.44 C ATOM 83 O THR A 7 -5.035 0.449 2.483 1.00 71.14 O ATOM 84 CB THR A 7 -6.764 0.030 5.159 1.00 2.30 C ATOM 85 OG1 THR A 7 -7.583 0.876 5.987 1.00 61.25 O ATOM 86 CG2 THR A 7 -5.280 0.305 5.532 1.00 23.33 C ATOM 87 H THR A 7 -6.331 -1.405 2.512 1.00 20.51 H ATOM 88 HA THR A 7 -8.004 0.750 3.464 1.00 70.44 H ATOM 89 HB THR A 7 -6.991 -1.014 5.437 1.00 71.22 H ATOM 90 HG1 THR A 7 -8.516 0.725 5.869 1.00 14.24 H ATOM 91 HG21 THR A 7 -5.021 1.362 5.367 1.00 74.34 H ATOM 92 HG22 THR A 7 -4.595 -0.332 4.952 1.00 41.44 H ATOM 93 HG23 THR A 7 -5.110 0.098 6.592 1.00 74.13 H ATOM 94 N PRO A 8 -5.926 2.434 3.023 1.00 4.32 N ATOM 95 CA PRO A 8 -4.826 3.181 2.409 1.00 4.23 C ATOM 96 C PRO A 8 -3.513 2.982 3.135 1.00 12.31 C ATOM 97 O PRO A 8 -3.454 3.350 4.297 1.00 22.24 O ATOM 98 CB PRO A 8 -5.352 4.633 2.545 1.00 53.14 C ATOM 99 CG PRO A 8 -6.307 4.586 3.758 1.00 4.01 C ATOM 100 CD PRO A 8 -7.002 3.214 3.614 1.00 53.43 C ATOM 101 HA PRO A 8 -4.730 2.974 1.338 1.00 53.03 H ATOM 102 HB2 PRO A 8 -4.544 5.371 2.658 1.00 64.10 H ATOM 103 HB3 PRO A 8 -5.945 4.897 1.653 1.00 15.11 H ATOM 104 HG2 PRO A 8 -5.711 4.600 4.685 1.00 20.34 H ATOM 105 HG3 PRO A 8 -7.017 5.429 3.785 1.00 74.32 H ATOM 106 HD2 PRO A 8 -7.342 2.864 4.596 1.00 62.34 H ATOM 107 HD3 PRO A 8 -7.849 3.262 2.912 1.00 1.11 H ATOM 108 N ASP A 9 -2.452 2.428 2.487 1.00 32.44 N ATOM 109 CA ASP A 9 -1.153 2.303 3.152 1.00 44.33 C ATOM 110 C ASP A 9 -0.377 3.587 2.990 1.00 71.22 C ATOM 111 O ASP A 9 0.036 4.165 3.984 1.00 31.32 O ATOM 112 CB ASP A 9 -0.327 1.054 2.717 1.00 54.00 C ATOM 113 CG ASP A 9 0.314 0.952 1.343 1.00 45.14 C ATOM 114 OD1 ASP A 9 0.074 1.797 0.496 1.00 75.34 O ATOM 115 H ASP A 9 -2.515 2.140 1.532 1.00 35.14 H ATOM 116 HA ASP A 9 -1.342 2.158 4.228 1.00 53.33 H ATOM 117 HB2 ASP A 9 0.480 0.920 3.458 1.00 3.33 H ATOM 118 HB3 ASP A 9 -1.020 0.216 2.807 1.00 21.20 H ATOM 119 N ALA A 10 -0.187 4.052 1.737 1.00 33.44 N ATOM 120 CA ALA A 10 0.526 5.304 1.498 1.00 42.52 C ATOM 121 C ALA A 10 0.156 5.805 0.115 1.00 51.02 C ATOM 122 O ALA A 10 -0.687 6.685 0.031 1.00 60.14 O ATOM 123 CB ALA A 10 2.051 5.128 1.725 1.00 12.54 C ATOM 124 H ALA A 10 -0.525 3.533 0.952 1.00 1.43 H ATOM 125 HA ALA A 10 0.171 6.062 2.218 1.00 43.34 H ATOM 126 HB1 ALA A 10 2.261 4.974 2.794 1.00 44.30 H ATOM 127 HB2 ALA A 10 2.433 4.251 1.184 1.00 43.24 H ATOM 128 HB3 ALA A 10 2.596 6.023 1.388 1.00 53.31 H ATOM 129 N ARG A 11 0.737 5.253 -0.978 1.00 5.51 N ATOM 130 CA ARG A 11 0.288 5.617 -2.323 1.00 31.51 C ATOM 131 C ARG A 11 -0.881 4.740 -2.730 1.00 61.14 C ATOM 132 O ARG A 11 -1.762 5.245 -3.407 1.00 2.14 O ATOM 133 CB ARG A 11 1.452 5.495 -3.350 1.00 12.41 C ATOM 134 CG ARG A 11 1.051 6.047 -4.748 1.00 41.00 C ATOM 135 CD ARG A 11 2.185 5.903 -5.802 1.00 11.34 C ATOM 136 NE ARG A 11 3.316 6.803 -5.548 1.00 62.14 N ATOM 137 CZ ARG A 11 3.348 8.075 -5.894 1.00 3.22 C ATOM 138 NH1 ARG A 11 2.335 8.705 -6.449 1.00 60.40 N ATOM 139 NH2 ARG A 11 4.450 8.759 -5.676 1.00 60.42 N ATOM 140 H ARG A 11 1.438 4.544 -0.897 1.00 55.12 H ATOM 141 HA ARG A 11 -0.032 6.670 -2.331 1.00 71.41 H ATOM 142 HB2 ARG A 11 2.320 6.063 -2.979 1.00 13.32 H ATOM 143 HB3 ARG A 11 1.746 4.436 -3.429 1.00 73.21 H ATOM 144 HG2 ARG A 11 0.175 5.490 -5.119 1.00 65.24 H ATOM 145 HG3 ARG A 11 0.765 7.105 -4.649 1.00 60.23 H ATOM 146 HD2 ARG A 11 2.541 4.860 -5.764 1.00 34.24 H ATOM 147 HD3 ARG A 11 1.803 6.038 -6.826 1.00 62.44 H ATOM 148 HE ARG A 11 4.153 6.383 -5.111 1.00 32.11 H ATOM 149 HH11 ARG A 11 1.442 8.238 -6.639 1.00 74.53 H ATOM 150 HH12 ARG A 11 2.409 9.701 -6.706 1.00 15.34 H ATOM 151 HH21 ARG A 11 5.278 8.317 -5.249 1.00 62.22 H ATOM 152 HH22 ARG A 11 4.520 9.755 -5.934 1.00 13.13 H ATOM 153 N VAL A 12 -0.909 3.439 -2.343 1.00 12.32 N ATOM 154 CA VAL A 12 -1.963 2.520 -2.785 1.00 3.13 C ATOM 155 C VAL A 12 -2.630 1.914 -1.567 1.00 54.15 C ATOM 156 O VAL A 12 -2.370 2.398 -0.476 1.00 14.23 O ATOM 157 CB VAL A 12 -1.367 1.502 -3.806 1.00 12.44 C ATOM 158 CG1 VAL A 12 -0.708 2.239 -5.004 1.00 43.42 C ATOM 159 CG2 VAL A 12 -0.348 0.551 -3.130 1.00 10.32 C ATOM 160 H VAL A 12 -0.201 3.057 -1.753 1.00 40.34 H ATOM 161 HA VAL A 12 -2.780 3.058 -3.293 1.00 23.23 H ATOM 162 HB VAL A 12 -2.172 0.888 -4.241 1.00 61.12 H ATOM 163 HG11 VAL A 12 0.144 2.849 -4.672 1.00 31.43 H ATOM 164 HG12 VAL A 12 -0.340 1.511 -5.745 1.00 53.31 H ATOM 165 HG13 VAL A 12 -1.440 2.897 -5.498 1.00 64.01 H ATOM 166 HG21 VAL A 12 -0.066 -0.255 -3.826 1.00 3.01 H ATOM 167 HG22 VAL A 12 0.559 1.108 -2.854 1.00 10.23 H ATOM 168 HG23 VAL A 12 -0.771 0.095 -2.222 1.00 60.22 H ATOM 169 N ILE A 13 -3.513 0.896 -1.727 1.00 31.20 N ATOM 170 CA ILE A 13 -4.398 0.467 -0.644 1.00 54.11 C ATOM 171 C ILE A 13 -4.031 -0.943 -0.220 1.00 52.45 C ATOM 172 O ILE A 13 -4.171 -1.823 -1.054 1.00 30.40 O ATOM 173 CB ILE A 13 -5.854 0.613 -1.186 1.00 32.22 C ATOM 174 CG1 ILE A 13 -6.118 1.961 -1.940 1.00 32.30 C ATOM 175 CG2 ILE A 13 -6.947 0.368 -0.114 1.00 2.23 C ATOM 176 CD1 ILE A 13 -6.486 1.727 -3.433 1.00 21.33 C ATOM 177 H ILE A 13 -3.665 0.469 -2.615 1.00 74.44 H ATOM 178 HA ILE A 13 -4.314 1.130 0.212 1.00 1.12 H ATOM 179 HB ILE A 13 -5.927 -0.202 -1.908 1.00 54.14 H ATOM 180 HG12 ILE A 13 -6.954 2.511 -1.480 1.00 33.53 H ATOM 181 HG13 ILE A 13 -5.246 2.630 -1.888 1.00 54.15 H ATOM 182 HG21 ILE A 13 -7.948 0.400 -0.567 1.00 21.31 H ATOM 183 HG22 ILE A 13 -6.810 -0.616 0.353 1.00 10.33 H ATOM 184 HG23 ILE A 13 -6.903 1.157 0.647 1.00 3.53 H ATOM 185 HD11 ILE A 13 -6.670 2.686 -3.942 1.00 70.11 H ATOM 186 HD12 ILE A 13 -5.670 1.208 -3.960 1.00 1.53 H ATOM 187 HD13 ILE A 13 -7.398 1.114 -3.507 1.00 45.20 H ATOM 188 N SER A 14 -3.556 -1.187 1.032 1.00 52.02 N ATOM 189 CA SER A 14 -3.043 -2.509 1.412 1.00 20.23 C ATOM 190 C SER A 14 -3.608 -3.027 2.710 1.00 21.51 C ATOM 191 O SER A 14 -4.358 -2.316 3.359 1.00 54.55 O ATOM 192 CB SER A 14 -1.522 -2.415 1.678 1.00 44.33 C ATOM 193 OG SER A 14 -0.945 -3.731 1.636 1.00 54.50 O ATOM 194 H SER A 14 -3.482 -0.461 1.718 1.00 13.32 H ATOM 195 HA SER A 14 -3.239 -3.260 0.631 1.00 23.12 H ATOM 196 HB2 SER A 14 -1.088 -1.732 0.937 1.00 51.12 H ATOM 197 HB3 SER A 14 -1.337 -2.003 2.681 1.00 70.55 H ATOM 198 HG SER A 14 -0.024 -3.751 1.873 1.00 4.14 H ATOM 199 N ARG A 15 -3.202 -4.263 3.096 1.00 44.25 N ATOM 200 CA ARG A 15 -3.675 -4.847 4.344 1.00 42.01 C ATOM 201 C ARG A 15 -3.432 -3.893 5.479 1.00 25.25 C ATOM 202 O ARG A 15 -2.386 -3.266 5.506 1.00 65.24 O ATOM 203 CB ARG A 15 -3.188 -6.281 4.726 1.00 74.31 C ATOM 204 CG ARG A 15 -1.709 -6.438 5.184 1.00 51.24 C ATOM 205 CD ARG A 15 -0.660 -6.337 4.039 1.00 74.31 C ATOM 206 NE ARG A 15 -0.994 -7.178 2.880 1.00 24.23 N ATOM 207 CZ ARG A 15 -0.825 -8.484 2.821 1.00 4.20 C ATOM 208 NH1 ARG A 15 -0.308 -9.197 3.796 1.00 44.11 N ATOM 209 NH2 ARG A 15 -1.191 -9.115 1.726 1.00 35.24 N ATOM 210 H ARG A 15 -2.603 -4.799 2.508 1.00 42.02 H ATOM 211 HA ARG A 15 -4.762 -4.923 4.221 1.00 33.42 H ATOM 212 HB2 ARG A 15 -3.815 -6.603 5.575 1.00 74.31 H ATOM 213 HB3 ARG A 15 -3.376 -6.988 3.905 1.00 73.21 H ATOM 214 HG2 ARG A 15 -1.476 -5.705 5.973 1.00 64.22 H ATOM 215 HG3 ARG A 15 -1.617 -7.434 5.642 1.00 21.22 H ATOM 216 HD2 ARG A 15 -0.635 -5.280 3.735 1.00 62.43 H ATOM 217 HD3 ARG A 15 0.357 -6.548 4.403 1.00 41.12 H ATOM 218 HE ARG A 15 -1.370 -6.695 2.049 1.00 32.52 H ATOM 219 HH11 ARG A 15 0.015 -8.768 4.670 1.00 10.01 H ATOM 220 HH12 ARG A 15 -0.201 -10.217 3.704 1.00 43.11 H ATOM 221 HH21 ARG A 15 -1.606 -8.609 0.929 1.00 62.02 H ATOM 222 HH22 ARG A 15 -1.077 -10.135 1.636 1.00 43.42 H ATOM 223 N PHE A 16 -4.394 -3.781 6.421 1.00 55.35 N ATOM 224 CA PHE A 16 -4.133 -2.946 7.587 1.00 24.24 C ATOM 225 C PHE A 16 -2.897 -3.434 8.338 1.00 10.34 C ATOM 226 O PHE A 16 -2.725 -4.631 8.562 1.00 33.21 O ATOM 227 CB PHE A 16 -5.344 -2.945 8.522 1.00 1.21 C ATOM 228 CG PHE A 16 -5.164 -2.077 9.735 1.00 54.12 C ATOM 229 CD1 PHE A 16 -5.409 -0.715 9.671 1.00 54.23 C ATOM 230 CD2 PHE A 16 -4.750 -2.623 10.939 1.00 60.43 C ATOM 231 CE1 PHE A 16 -5.245 0.087 10.785 1.00 75.32 C ATOM 232 CE2 PHE A 16 -4.585 -1.827 12.056 1.00 22.12 C ATOM 233 CZ PHE A 16 -4.832 -0.470 11.979 1.00 64.31 C ATOM 234 H PHE A 16 -5.238 -4.278 6.368 1.00 63.03 H ATOM 235 HA PHE A 16 -3.955 -1.940 7.241 1.00 42.11 H ATOM 236 HB2 PHE A 16 -6.206 -2.584 7.982 1.00 72.43 H ATOM 237 HB3 PHE A 16 -5.531 -3.953 8.859 1.00 63.33 H ATOM 238 HD1 PHE A 16 -5.733 -0.278 8.736 1.00 11.23 H ATOM 239 HD2 PHE A 16 -4.555 -3.684 11.001 1.00 74.04 H ATOM 240 HE1 PHE A 16 -5.439 1.147 10.721 1.00 54.14 H ATOM 241 HE2 PHE A 16 -4.261 -2.265 12.989 1.00 42.14 H ATOM 242 HZ PHE A 16 -4.704 0.154 12.851 1.00 64.23 H ATOM 243 N GLY A 17 -2.016 -2.494 8.764 1.00 20.20 N ATOM 244 CA GLY A 17 -0.805 -2.867 9.491 1.00 41.11 C ATOM 245 C GLY A 17 0.296 -1.896 9.136 1.00 21.41 C ATOM 246 O GLY A 17 0.471 -1.654 7.952 1.00 72.40 O ATOM 247 H GLY A 17 -2.183 -1.513 8.633 1.00 41.21 H ATOM 248 HA2 GLY A 17 -1.032 -2.865 10.568 1.00 65.15 H ATOM 249 HA3 GLY A 17 -0.450 -3.871 9.212 1.00 14.44 H ATOM 250 N PHE A 18 1.042 -1.328 10.115 1.00 22.43 N ATOM 251 CA PHE A 18 2.080 -0.355 9.776 1.00 13.43 C ATOM 252 C PHE A 18 3.088 -0.244 10.901 1.00 13.10 C ATOM 253 O PHE A 18 2.885 0.561 11.796 1.00 72.01 O ATOM 254 CB PHE A 18 1.432 1.029 9.499 1.00 41.24 C ATOM 255 CG PHE A 18 2.529 2.100 9.376 1.00 51.52 C ATOM 256 CD1 PHE A 18 3.432 2.056 8.308 1.00 22.52 C ATOM 257 CD2 PHE A 18 2.649 3.118 10.330 1.00 52.22 C ATOM 258 CE1 PHE A 18 4.485 2.971 8.232 1.00 15.14 C ATOM 259 CE2 PHE A 18 3.695 4.043 10.250 1.00 60.23 C ATOM 260 CZ PHE A 18 4.622 3.963 9.208 1.00 63.40 C ATOM 261 H PHE A 18 0.875 -1.526 11.084 1.00 31.44 H ATOM 262 HA PHE A 18 2.614 -0.673 8.866 1.00 13.21 H ATOM 263 HB2 PHE A 18 0.847 1.000 8.566 1.00 22.45 H ATOM 264 HB3 PHE A 18 0.740 1.268 10.322 1.00 21.32 H ATOM 265 HD1 PHE A 18 3.321 1.307 7.530 1.00 51.14 H ATOM 266 HD2 PHE A 18 1.935 3.197 11.143 1.00 60.14 H ATOM 267 HE1 PHE A 18 5.199 2.913 7.415 1.00 44.34 H ATOM 268 HE2 PHE A 18 3.787 4.824 10.999 1.00 31.11 H ATOM 269 HZ PHE A 18 5.445 4.669 9.155 1.00 10.22 H ATOM 270 N ASN A 19 4.188 -1.033 10.868 1.00 45.01 N ATOM 271 CA ASN A 19 5.248 -0.857 11.860 1.00 23.35 C ATOM 272 C ASN A 19 6.116 0.290 11.411 1.00 55.34 C ATOM 273 O ASN A 19 5.855 0.964 10.426 1.00 62.34 O ATOM 274 CB ASN A 19 6.077 -2.160 12.019 1.00 40.12 C ATOM 275 CG ASN A 19 5.214 -3.328 12.437 1.00 30.41 C ATOM 276 OD1 ASN A 19 4.006 -3.183 12.549 1.00 52.23 O ATOM 277 ND2 ASN A 19 5.819 -4.513 12.676 1.00 34.21 N ATOM 278 OXT ASN A 19 7.193 0.537 12.151 1.00 0.00 O ATOM 279 H ASN A 19 4.334 -1.694 10.128 1.00 53.54 H ATOM 280 HA ASN A 19 4.828 -0.596 12.846 1.00 10.25 H ATOM 281 HB2 ASN A 19 6.566 -2.403 11.063 1.00 53.30 H ATOM 282 HB3 ASN A 19 6.858 -2.010 12.781 1.00 53.25 H ATOM 283 HD21 ASN A 19 6.810 -4.616 12.578 1.00 31.01 H ATOM 284 HD22 ASN A 19 5.272 -5.304 12.955 1.00 31.25 H TER 285 ASN A 19 ENDMDL MODEL 7 ATOM 1 N GLY A 1 1.392 -0.151 1.380 1.00 53.30 N ATOM 2 CA GLY A 1 2.242 -0.167 0.181 1.00 74.12 C ATOM 3 C GLY A 1 1.855 -1.114 -0.943 1.00 50.33 C ATOM 4 O GLY A 1 2.203 -0.805 -2.072 1.00 0.32 O ATOM 5 H1 GLY A 1 1.486 -0.914 2.025 1.00 53.21 H ATOM 6 HA2 GLY A 1 2.339 0.849 -0.232 1.00 14.03 H ATOM 7 HA3 GLY A 1 3.254 -0.476 0.489 1.00 72.10 H ATOM 8 N THR A 2 1.189 -2.268 -0.697 1.00 15.00 N ATOM 9 CA THR A 2 0.728 -3.151 -1.783 1.00 42.35 C ATOM 10 C THR A 2 -0.674 -2.729 -2.187 1.00 54.20 C ATOM 11 O THR A 2 -1.349 -2.181 -1.332 1.00 10.13 O ATOM 12 CB THR A 2 0.819 -4.660 -1.378 1.00 23.11 C ATOM 13 OG1 THR A 2 1.574 -5.380 -2.373 1.00 73.21 O ATOM 14 CG2 THR A 2 -0.565 -5.347 -1.190 1.00 5.30 C ATOM 15 H THR A 2 0.987 -2.520 0.241 1.00 70.05 H ATOM 16 HA THR A 2 1.400 -3.012 -2.642 1.00 14.33 H ATOM 17 HB THR A 2 1.381 -4.739 -0.431 1.00 33.40 H ATOM 18 HG1 THR A 2 1.702 -6.299 -2.157 1.00 62.04 H ATOM 19 HG21 THR A 2 -1.076 -5.446 -2.158 1.00 72.31 H ATOM 20 HG22 THR A 2 -1.210 -4.775 -0.510 1.00 21.52 H ATOM 21 HG23 THR A 2 -0.433 -6.357 -0.771 1.00 70.00 H ATOM 22 N PRO A 3 -1.180 -2.933 -3.433 1.00 60.24 N ATOM 23 CA PRO A 3 -2.508 -2.436 -3.781 1.00 75.12 C ATOM 24 C PRO A 3 -3.644 -3.285 -3.247 1.00 51.31 C ATOM 25 O PRO A 3 -3.391 -4.364 -2.736 1.00 51.41 O ATOM 26 CB PRO A 3 -2.429 -2.535 -5.324 1.00 65.55 C ATOM 27 CG PRO A 3 -1.516 -3.759 -5.554 1.00 15.42 C ATOM 28 CD PRO A 3 -0.411 -3.573 -4.491 1.00 12.32 C ATOM 29 HA PRO A 3 -2.637 -1.390 -3.465 1.00 44.30 H ATOM 30 HB2 PRO A 3 -3.411 -2.651 -5.806 1.00 43.25 H ATOM 31 HB3 PRO A 3 -1.934 -1.637 -5.731 1.00 43.40 H ATOM 32 HG2 PRO A 3 -2.089 -4.677 -5.337 1.00 43.20 H ATOM 33 HG3 PRO A 3 -1.120 -3.819 -6.581 1.00 22.35 H ATOM 34 HD2 PRO A 3 0.028 -4.539 -4.211 1.00 70.41 H ATOM 35 HD3 PRO A 3 0.368 -2.887 -4.860 1.00 24.12 H ATOM 36 N GLY A 4 -4.902 -2.781 -3.358 1.00 31.43 N ATOM 37 CA GLY A 4 -6.056 -3.471 -2.810 1.00 65.42 C ATOM 38 C GLY A 4 -7.129 -2.515 -2.329 1.00 62.14 C ATOM 39 O GLY A 4 -7.152 -1.348 -2.722 1.00 21.24 O ATOM 40 H GLY A 4 -5.012 -1.899 -3.770 1.00 63.02 H ATOM 41 HA2 GLY A 4 -6.474 -4.112 -3.572 1.00 44.34 H ATOM 42 HA3 GLY A 4 -5.734 -4.081 -1.978 1.00 74.03 H ATOM 43 N PHE A 5 -8.022 -3.010 -1.479 1.00 2.34 N ATOM 44 CA PHE A 5 -9.105 -2.191 -0.946 1.00 20.53 C ATOM 45 C PHE A 5 -9.114 -2.228 0.580 1.00 53.03 C ATOM 46 O PHE A 5 -9.879 -1.509 1.223 1.00 64.13 O ATOM 47 CB PHE A 5 -10.452 -2.675 -1.487 1.00 22.41 C ATOM 48 CG PHE A 5 -11.611 -2.347 -0.590 1.00 31.40 C ATOM 49 CD1 PHE A 5 -12.164 -1.077 -0.587 1.00 3.24 C ATOM 50 CD2 PHE A 5 -12.148 -3.310 0.250 1.00 2.43 C ATOM 51 CE1 PHE A 5 -13.231 -0.772 0.237 1.00 3.33 C ATOM 52 CE2 PHE A 5 -13.215 -3.010 1.076 1.00 70.41 C ATOM 53 CZ PHE A 5 -13.756 -1.740 1.070 1.00 13.34 C ATOM 54 H PHE A 5 -7.951 -3.948 -1.203 1.00 1.10 H ATOM 55 HA PHE A 5 -8.941 -1.175 -1.269 1.00 31.14 H ATOM 56 HB2 PHE A 5 -10.634 -2.213 -2.445 1.00 64.35 H ATOM 57 HB3 PHE A 5 -10.418 -3.747 -1.609 1.00 71.52 H ATOM 58 HD1 PHE A 5 -11.753 -0.318 -1.238 1.00 63.32 H ATOM 59 HD2 PHE A 5 -11.725 -4.303 0.257 1.00 70.43 H ATOM 60 HE1 PHE A 5 -13.651 0.223 0.230 1.00 33.02 H ATOM 61 HE2 PHE A 5 -13.624 -3.769 1.727 1.00 50.14 H ATOM 62 HZ PHE A 5 -14.590 -1.504 1.714 1.00 13.43 H ATOM 63 N GLN A 6 -8.260 -3.071 1.151 1.00 42.23 N ATOM 64 CA GLN A 6 -8.171 -3.202 2.600 1.00 25.21 C ATOM 65 C GLN A 6 -8.082 -1.833 3.266 1.00 20.14 C ATOM 66 O GLN A 6 -9.049 -1.356 3.862 1.00 61.23 O ATOM 67 CB GLN A 6 -6.955 -4.048 2.983 1.00 60.32 C ATOM 68 CG GLN A 6 -7.028 -5.481 2.480 1.00 52.14 C ATOM 69 CD GLN A 6 -6.350 -5.663 1.136 1.00 55.22 C ATOM 70 OE1 GLN A 6 -6.927 -5.359 0.091 1.00 44.12 O ATOM 71 NE2 GLN A 6 -5.120 -6.161 1.156 1.00 43.12 N ATOM 72 H GLN A 6 -7.677 -3.617 0.584 1.00 4.04 H ATOM 73 HA GLN A 6 -9.065 -3.698 2.944 1.00 75.54 H ATOM 74 HB2 GLN A 6 -6.068 -3.590 2.572 1.00 52.33 H ATOM 75 HB3 GLN A 6 -6.872 -4.072 4.059 1.00 13.14 H ATOM 76 HG2 GLN A 6 -6.546 -6.127 3.198 1.00 10.35 H ATOM 77 HG3 GLN A 6 -8.066 -5.762 2.384 1.00 35.41 H ATOM 78 HE21 GLN A 6 -4.724 -6.381 2.026 1.00 72.34 H ATOM 79 HE22 GLN A 6 -4.659 -6.290 0.302 1.00 45.32 H ATOM 80 N THR A 7 -6.931 -1.097 3.237 1.00 72.30 N ATOM 81 CA THR A 7 -6.837 0.181 3.966 1.00 44.25 C ATOM 82 C THR A 7 -5.660 1.012 3.467 1.00 34.22 C ATOM 83 O THR A 7 -4.730 0.385 2.989 1.00 11.24 O ATOM 84 CB THR A 7 -6.758 -0.105 5.501 1.00 53.45 C ATOM 85 OG1 THR A 7 -7.636 0.784 6.216 1.00 22.42 O ATOM 86 CG2 THR A 7 -5.315 0.005 6.063 1.00 4.05 C ATOM 87 H THR A 7 -6.102 -1.396 2.770 1.00 15.10 H ATOM 88 HA THR A 7 -7.754 0.748 3.742 1.00 53.20 H ATOM 89 HB THR A 7 -7.116 -1.132 5.690 1.00 10.45 H ATOM 90 HG1 THR A 7 -7.653 0.626 7.155 1.00 21.22 H ATOM 91 HG21 THR A 7 -4.643 -0.676 5.521 1.00 24.34 H ATOM 92 HG22 THR A 7 -5.306 -0.263 7.130 1.00 52.10 H ATOM 93 HG23 THR A 7 -4.938 1.035 5.972 1.00 25.54 H ATOM 94 N PRO A 8 -5.618 2.372 3.525 1.00 24.31 N ATOM 95 CA PRO A 8 -4.497 3.109 2.943 1.00 64.33 C ATOM 96 C PRO A 8 -3.186 2.846 3.651 1.00 64.23 C ATOM 97 O PRO A 8 -3.118 3.136 4.835 1.00 64.03 O ATOM 98 CB PRO A 8 -4.978 4.573 3.123 1.00 72.52 C ATOM 99 CG PRO A 8 -5.962 4.509 4.310 1.00 73.35 C ATOM 100 CD PRO A 8 -6.695 3.166 4.094 1.00 33.43 C ATOM 101 HA PRO A 8 -4.414 2.936 1.864 1.00 11.42 H ATOM 102 HB2 PRO A 8 -4.151 5.280 3.292 1.00 34.41 H ATOM 103 HB3 PRO A 8 -5.541 4.898 2.230 1.00 25.21 H ATOM 104 HG2 PRO A 8 -5.387 4.467 5.249 1.00 24.00 H ATOM 105 HG3 PRO A 8 -6.648 5.372 4.351 1.00 24.13 H ATOM 106 HD2 PRO A 8 -7.081 2.800 5.052 1.00 33.20 H ATOM 107 HD3 PRO A 8 -7.513 3.268 3.363 1.00 20.34 H ATOM 108 N ASP A 9 -2.139 2.320 2.960 1.00 22.24 N ATOM 109 CA ASP A 9 -0.830 2.155 3.597 1.00 71.43 C ATOM 110 C ASP A 9 -0.069 3.457 3.501 1.00 73.34 C ATOM 111 O ASP A 9 0.358 3.977 4.520 1.00 5.11 O ATOM 112 CB ASP A 9 -0.016 0.933 3.073 1.00 10.02 C ATOM 113 CG ASP A 9 0.594 0.911 1.683 1.00 30.41 C ATOM 114 OD1 ASP A 9 0.378 1.828 0.908 1.00 32.22 O ATOM 115 H ASP A 9 -2.215 2.086 1.991 1.00 2.20 H ATOM 116 HA ASP A 9 -0.996 1.948 4.668 1.00 53.34 H ATOM 117 HB2 ASP A 9 0.822 0.776 3.773 1.00 13.43 H ATOM 118 HB3 ASP A 9 -0.694 0.080 3.153 1.00 51.32 H ATOM 119 N ALA A 10 0.091 4.001 2.276 1.00 63.03 N ATOM 120 CA ALA A 10 0.783 5.275 2.101 1.00 71.10 C ATOM 121 C ALA A 10 0.497 5.808 0.709 1.00 32.14 C ATOM 122 O ALA A 10 -0.216 6.793 0.594 1.00 13.31 O ATOM 123 CB ALA A 10 2.304 5.130 2.378 1.00 43.40 C ATOM 124 H ALA A 10 -0.264 3.529 1.469 1.00 20.01 H ATOM 125 HA ALA A 10 0.380 6.003 2.825 1.00 3.23 H ATOM 126 HB1 ALA A 10 2.489 4.951 3.448 1.00 13.12 H ATOM 127 HB2 ALA A 10 2.733 4.284 1.822 1.00 53.52 H ATOM 128 HB3 ALA A 10 2.832 6.051 2.086 1.00 63.51 H ATOM 129 N ARG A 11 1.035 5.161 -0.352 1.00 15.44 N ATOM 130 CA ARG A 11 0.754 5.581 -1.729 1.00 60.34 C ATOM 131 C ARG A 11 -0.429 4.789 -2.260 1.00 14.34 C ATOM 132 O ARG A 11 -1.224 5.352 -2.995 1.00 40.22 O ATOM 133 CB ARG A 11 2.048 5.383 -2.575 1.00 63.55 C ATOM 134 CG ARG A 11 2.250 6.386 -3.749 1.00 62.44 C ATOM 135 CD ARG A 11 1.198 6.289 -4.888 1.00 3.01 C ATOM 136 NE ARG A 11 1.588 7.100 -6.048 1.00 42.41 N ATOM 137 CZ ARG A 11 0.924 7.116 -7.184 1.00 1.14 C ATOM 138 NH1 ARG A 11 -0.178 6.426 -7.374 1.00 21.01 N ATOM 139 NH2 ARG A 11 1.378 7.853 -8.173 1.00 14.40 N ATOM 140 H ARG A 11 1.615 4.356 -0.216 1.00 34.34 H ATOM 141 HA ARG A 11 0.513 6.656 -1.745 1.00 22.33 H ATOM 142 HB2 ARG A 11 2.913 5.546 -1.908 1.00 73.44 H ATOM 143 HB3 ARG A 11 2.105 4.344 -2.935 1.00 70.54 H ATOM 144 HG2 ARG A 11 2.267 7.418 -3.360 1.00 41.10 H ATOM 145 HG3 ARG A 11 3.239 6.178 -4.193 1.00 51.34 H ATOM 146 HD2 ARG A 11 1.121 5.231 -5.182 1.00 2.21 H ATOM 147 HD3 ARG A 11 0.228 6.651 -4.515 1.00 64.23 H ATOM 148 HE ARG A 11 2.441 7.676 -5.959 1.00 14.15 H ATOM 149 HH11 ARG A 11 -0.586 5.842 -6.634 1.00 50.50 H ATOM 150 HH12 ARG A 11 -0.672 6.459 -8.279 1.00 13.43 H ATOM 151 HH21 ARG A 11 2.239 8.412 -8.072 1.00 13.14 H ATOM 152 HH22 ARG A 11 0.887 7.892 -9.079 1.00 20.13 H ATOM 153 N VAL A 12 -0.572 3.488 -1.898 1.00 73.21 N ATOM 154 CA VAL A 12 -1.670 2.656 -2.398 1.00 44.21 C ATOM 155 C VAL A 12 -2.372 2.026 -1.210 1.00 64.23 C ATOM 156 O VAL A 12 -2.084 2.435 -0.096 1.00 21.15 O ATOM 157 CB VAL A 12 -1.116 1.657 -3.460 1.00 52.15 C ATOM 158 CG1 VAL A 12 -0.437 2.412 -4.634 1.00 12.52 C ATOM 159 CG2 VAL A 12 -0.120 0.659 -2.822 1.00 53.03 C ATOM 160 H VAL A 12 0.071 3.043 -1.277 1.00 23.33 H ATOM 161 HA VAL A 12 -2.451 3.258 -2.887 1.00 1.23 H ATOM 162 HB VAL A 12 -1.945 1.084 -3.905 1.00 75.22 H ATOM 163 HG11 VAL A 12 -0.101 1.699 -5.404 1.00 23.13 H ATOM 164 HG12 VAL A 12 -1.144 3.118 -5.096 1.00 13.35 H ATOM 165 HG13 VAL A 12 0.440 2.972 -4.281 1.00 42.51 H ATOM 166 HG21 VAL A 12 -0.557 0.197 -1.925 1.00 41.32 H ATOM 167 HG22 VAL A 12 0.134 -0.134 -3.542 1.00 74.32 H ATOM 168 HG23 VAL A 12 0.803 1.185 -2.537 1.00 22.24 H ATOM 169 N ILE A 13 -3.306 1.063 -1.412 1.00 44.31 N ATOM 170 CA ILE A 13 -4.178 0.601 -0.332 1.00 73.23 C ATOM 171 C ILE A 13 -3.841 -0.840 -0.005 1.00 64.33 C ATOM 172 O ILE A 13 -3.951 -1.649 -0.911 1.00 62.45 O ATOM 173 CB ILE A 13 -5.643 0.815 -0.815 1.00 33.51 C ATOM 174 CG1 ILE A 13 -5.890 2.207 -1.490 1.00 2.42 C ATOM 175 CG2 ILE A 13 -6.702 0.535 0.281 1.00 1.12 C ATOM 176 CD1 ILE A 13 -6.269 2.067 -2.992 1.00 3.11 C ATOM 177 H ILE A 13 -3.492 0.693 -2.319 1.00 64.35 H ATOM 178 HA ILE A 13 -4.050 1.204 0.564 1.00 2.22 H ATOM 179 HB ILE A 13 -5.762 0.042 -1.574 1.00 0.31 H ATOM 180 HG12 ILE A 13 -6.717 2.738 -0.992 1.00 45.44 H ATOM 181 HG13 ILE A 13 -5.008 2.861 -1.407 1.00 3.25 H ATOM 182 HG21 ILE A 13 -6.604 1.270 1.091 1.00 53.03 H ATOM 183 HG22 ILE A 13 -7.718 0.621 -0.132 1.00 42.54 H ATOM 184 HG23 ILE A 13 -6.579 -0.481 0.678 1.00 41.21 H ATOM 185 HD11 ILE A 13 -6.436 3.058 -3.442 1.00 63.20 H ATOM 186 HD12 ILE A 13 -5.468 1.563 -3.554 1.00 33.01 H ATOM 187 HD13 ILE A 13 -7.194 1.478 -3.096 1.00 42.22 H ATOM 188 N SER A 14 -3.421 -1.182 1.242 1.00 20.52 N ATOM 189 CA SER A 14 -2.917 -2.527 1.532 1.00 11.23 C ATOM 190 C SER A 14 -3.474 -3.119 2.801 1.00 73.33 C ATOM 191 O SER A 14 -4.161 -2.421 3.531 1.00 71.31 O ATOM 192 CB SER A 14 -1.396 -2.447 1.805 1.00 24.01 C ATOM 193 OG SER A 14 -0.817 -3.758 1.705 1.00 62.21 O ATOM 194 H SER A 14 -3.369 -0.510 1.983 1.00 12.43 H ATOM 195 HA SER A 14 -3.110 -3.222 0.700 1.00 3.42 H ATOM 196 HB2 SER A 14 -0.956 -1.729 1.100 1.00 65.15 H ATOM 197 HB3 SER A 14 -1.221 -2.080 2.827 1.00 62.12 H ATOM 198 HG SER A 14 0.101 -3.785 1.953 1.00 62.44 H ATOM 199 N ARG A 15 -3.137 -4.405 3.072 1.00 43.41 N ATOM 200 CA ARG A 15 -3.592 -5.041 4.301 1.00 13.33 C ATOM 201 C ARG A 15 -3.304 -4.153 5.483 1.00 61.45 C ATOM 202 O ARG A 15 -2.237 -3.560 5.526 1.00 61.33 O ATOM 203 CB ARG A 15 -3.127 -6.502 4.601 1.00 32.32 C ATOM 204 CG ARG A 15 -1.641 -6.714 5.017 1.00 65.11 C ATOM 205 CD ARG A 15 -0.622 -6.563 3.852 1.00 25.53 C ATOM 206 NE ARG A 15 -0.989 -7.342 2.660 1.00 44.41 N ATOM 207 CZ ARG A 15 -0.826 -8.643 2.530 1.00 62.50 C ATOM 208 NH1 ARG A 15 -0.290 -9.406 3.456 1.00 2.34 N ATOM 209 NH2 ARG A 15 -1.222 -9.214 1.413 1.00 50.10 N ATOM 210 H ARG A 15 -2.604 -4.938 2.420 1.00 61.34 H ATOM 211 HA ARG A 15 -4.679 -5.103 4.184 1.00 52.11 H ATOM 212 HB2 ARG A 15 -3.737 -6.856 5.451 1.00 4.04 H ATOM 213 HB3 ARG A 15 -3.349 -7.158 3.746 1.00 50.40 H ATOM 214 HG2 ARG A 15 -1.378 -6.031 5.841 1.00 70.45 H ATOM 215 HG3 ARG A 15 -1.559 -7.738 5.413 1.00 3.11 H ATOM 216 HD2 ARG A 15 -0.604 -5.494 3.598 1.00 3.00 H ATOM 217 HD3 ARG A 15 0.403 -6.796 4.181 1.00 41.22 H ATOM 218 HE ARG A 15 -1.383 -6.817 1.864 1.00 34.03 H ATOM 219 HH11 ARG A 15 0.054 -9.022 4.342 1.00 74.55 H ATOM 220 HH12 ARG A 15 -0.188 -10.421 3.310 1.00 12.55 H ATOM 221 HH21 ARG A 15 -1.652 -8.665 0.653 1.00 60.21 H ATOM 222 HH22 ARG A 15 -1.116 -10.229 1.265 1.00 75.35 H ATOM 223 N PHE A 16 -4.249 -4.058 6.447 1.00 2.11 N ATOM 224 CA PHE A 16 -3.960 -3.308 7.664 1.00 54.31 C ATOM 225 C PHE A 16 -2.652 -3.776 8.294 1.00 42.50 C ATOM 226 O PHE A 16 -2.472 -4.961 8.571 1.00 13.41 O ATOM 227 CB PHE A 16 -5.106 -3.461 8.667 1.00 61.24 C ATOM 228 CG PHE A 16 -5.491 -2.174 9.338 1.00 33.10 C ATOM 229 CD1 PHE A 16 -4.557 -1.445 10.056 1.00 32.11 C ATOM 230 CD2 PHE A 16 -6.788 -1.694 9.251 1.00 11.55 C ATOM 231 CE1 PHE A 16 -4.908 -0.260 10.675 1.00 75.01 C ATOM 232 CE2 PHE A 16 -7.145 -0.509 9.868 1.00 70.13 C ATOM 233 CZ PHE A 16 -6.204 0.208 10.581 1.00 35.13 C ATOM 234 H PHE A 16 -5.110 -4.518 6.362 1.00 73.12 H ATOM 235 HA PHE A 16 -3.865 -2.267 7.396 1.00 50.12 H ATOM 236 HB2 PHE A 16 -5.976 -3.840 8.153 1.00 73.23 H ATOM 237 HB3 PHE A 16 -4.812 -4.162 9.433 1.00 2.13 H ATOM 238 HD1 PHE A 16 -3.543 -1.811 10.130 1.00 5.31 H ATOM 239 HD2 PHE A 16 -7.525 -2.254 8.695 1.00 50.42 H ATOM 240 HE1 PHE A 16 -4.170 0.298 11.232 1.00 74.21 H ATOM 241 HE2 PHE A 16 -8.159 -0.145 9.793 1.00 31.54 H ATOM 242 HZ PHE A 16 -6.481 1.134 11.063 1.00 21.33 H ATOM 243 N GLY A 17 -1.665 -2.874 8.523 1.00 33.30 N ATOM 244 CA GLY A 17 -0.401 -3.315 9.113 1.00 44.12 C ATOM 245 C GLY A 17 0.644 -2.226 9.023 1.00 21.30 C ATOM 246 O GLY A 17 1.461 -2.277 8.115 1.00 53.31 O ATOM 247 H GLY A 17 -1.770 -1.900 8.311 1.00 64.34 H ATOM 248 HA2 GLY A 17 -0.562 -3.599 10.165 1.00 3.45 H ATOM 249 HA3 GLY A 17 -0.026 -4.202 8.576 1.00 70.44 H ATOM 250 N PHE A 18 0.626 -1.231 9.943 1.00 54.02 N ATOM 251 CA PHE A 18 1.574 -0.124 9.865 1.00 21.11 C ATOM 252 C PHE A 18 2.794 -0.468 10.692 1.00 14.24 C ATOM 253 O PHE A 18 2.833 -0.124 11.863 1.00 54.32 O ATOM 254 CB PHE A 18 0.896 1.190 10.341 1.00 35.02 C ATOM 255 CG PHE A 18 1.785 2.390 9.971 1.00 45.43 C ATOM 256 CD1 PHE A 18 1.660 2.980 8.708 1.00 54.24 C ATOM 257 CD2 PHE A 18 2.720 2.902 10.876 1.00 50.30 C ATOM 258 CE1 PHE A 18 2.461 4.067 8.350 1.00 13.51 C ATOM 259 CE2 PHE A 18 3.535 3.979 10.516 1.00 44.33 C ATOM 260 CZ PHE A 18 3.405 4.565 9.253 1.00 42.42 C ATOM 261 H PHE A 18 -0.033 -1.244 10.697 1.00 35.04 H ATOM 262 HA PHE A 18 1.867 0.052 8.817 1.00 23.33 H ATOM 263 HB2 PHE A 18 -0.079 1.297 9.836 1.00 55.43 H ATOM 264 HB3 PHE A 18 0.699 1.165 11.425 1.00 61.22 H ATOM 265 HD1 PHE A 18 0.939 2.593 7.993 1.00 61.43 H ATOM 266 HD2 PHE A 18 2.822 2.467 11.866 1.00 13.33 H ATOM 267 HE1 PHE A 18 2.353 4.523 7.371 1.00 1.30 H ATOM 268 HE2 PHE A 18 4.271 4.362 11.216 1.00 61.13 H ATOM 269 HZ PHE A 18 4.032 5.405 8.976 1.00 5.32 H ATOM 270 N ASN A 19 3.810 -1.140 10.105 1.00 23.42 N ATOM 271 CA ASN A 19 5.032 -1.419 10.859 1.00 35.34 C ATOM 272 C ASN A 19 5.735 -0.112 11.119 1.00 23.41 C ATOM 273 O ASN A 19 6.056 0.250 12.239 1.00 3.44 O ATOM 274 CB ASN A 19 5.968 -2.385 10.084 1.00 71.34 C ATOM 275 CG ASN A 19 5.293 -3.706 9.790 1.00 72.14 C ATOM 276 OD1 ASN A 19 4.321 -4.043 10.449 1.00 31.14 O ATOM 277 ND2 ASN A 19 5.789 -4.480 8.800 1.00 74.05 N ATOM 278 OXT ASN A 19 5.982 0.641 10.044 1.00 0.00 O ATOM 279 H ASN A 19 3.756 -1.417 9.142 1.00 4.51 H ATOM 280 HA ASN A 19 4.781 -1.891 11.823 1.00 64.20 H ATOM 281 HB2 ASN A 19 6.272 -1.917 9.134 1.00 74.11 H ATOM 282 HB3 ASN A 19 6.875 -2.562 10.682 1.00 24.34 H ATOM 283 HD21 ASN A 19 6.580 -4.188 8.263 1.00 5.14 H ATOM 284 HD22 ASN A 19 5.356 -5.359 8.590 1.00 55.12 H TER 285 ASN A 19 ENDMDL MODEL 8 ATOM 1 N GLY A 1 1.179 -0.222 1.249 1.00 24.33 N ATOM 2 CA GLY A 1 1.980 -0.146 0.021 1.00 11.11 C ATOM 3 C GLY A 1 1.594 -1.070 -1.117 1.00 75.00 C ATOM 4 O GLY A 1 1.904 -0.708 -2.242 1.00 70.12 O ATOM 5 H1 GLY A 1 1.359 -0.984 1.876 1.00 60.02 H ATOM 6 HA2 GLY A 1 1.998 0.889 -0.359 1.00 25.23 H ATOM 7 HA3 GLY A 1 3.021 -0.399 0.276 1.00 30.03 H ATOM 8 N THR A 2 0.967 -2.251 -0.895 1.00 22.12 N ATOM 9 CA THR A 2 0.517 -3.102 -2.011 1.00 22.41 C ATOM 10 C THR A 2 -0.896 -2.700 -2.382 1.00 44.02 C ATOM 11 O THR A 2 -1.574 -2.212 -1.494 1.00 2.30 O ATOM 12 CB THR A 2 0.652 -4.628 -1.684 1.00 52.33 C ATOM 13 OG1 THR A 2 1.549 -5.242 -2.631 1.00 10.21 O ATOM 14 CG2 THR A 2 -0.693 -5.413 -1.675 1.00 21.00 C ATOM 15 H THR A 2 0.765 -2.538 0.037 1.00 30.22 H ATOM 16 HA THR A 2 1.167 -2.903 -2.876 1.00 40.11 H ATOM 17 HB THR A 2 1.116 -4.741 -0.689 1.00 61.21 H ATOM 18 HG1 THR A 2 1.715 -6.164 -2.457 1.00 5.41 H ATOM 19 HG21 THR A 2 -0.528 -6.434 -1.298 1.00 62.34 H ATOM 20 HG22 THR A 2 -1.103 -5.495 -2.689 1.00 64.24 H ATOM 21 HG23 THR A 2 -1.451 -4.941 -1.037 1.00 1.55 H ATOM 22 N PRO A 3 -1.409 -2.862 -3.629 1.00 23.52 N ATOM 23 CA PRO A 3 -2.768 -2.421 -3.919 1.00 4.13 C ATOM 24 C PRO A 3 -3.837 -3.319 -3.334 1.00 34.53 C ATOM 25 O PRO A 3 -3.516 -4.399 -2.869 1.00 32.21 O ATOM 26 CB PRO A 3 -2.755 -2.502 -5.464 1.00 61.40 C ATOM 27 CG PRO A 3 -1.763 -3.649 -5.755 1.00 5.42 C ATOM 28 CD PRO A 3 -0.630 -3.397 -4.736 1.00 23.31 C ATOM 29 HA PRO A 3 -2.927 -1.386 -3.583 1.00 51.31 H ATOM 30 HB2 PRO A 3 -3.744 -2.687 -5.905 1.00 31.11 H ATOM 31 HB3 PRO A 3 -2.348 -1.567 -5.884 1.00 54.24 H ATOM 32 HG2 PRO A 3 -2.252 -4.611 -5.529 1.00 31.40 H ATOM 33 HG3 PRO A 3 -1.404 -3.668 -6.796 1.00 14.11 H ATOM 34 HD2 PRO A 3 -0.085 -4.324 -4.519 1.00 63.15 H ATOM 35 HD3 PRO A 3 0.065 -2.627 -5.105 1.00 44.12 H ATOM 36 N GLY A 4 -5.114 -2.857 -3.352 1.00 55.04 N ATOM 37 CA GLY A 4 -6.210 -3.603 -2.762 1.00 30.23 C ATOM 38 C GLY A 4 -7.307 -2.701 -2.232 1.00 61.00 C ATOM 39 O GLY A 4 -7.402 -1.535 -2.617 1.00 20.41 O ATOM 40 H GLY A 4 -5.281 -1.976 -3.748 1.00 75.03 H ATOM 41 HA2 GLY A 4 -6.628 -4.260 -3.510 1.00 32.25 H ATOM 42 HA3 GLY A 4 -5.826 -4.200 -1.947 1.00 51.31 H ATOM 43 N PHE A 5 -8.139 -3.241 -1.348 1.00 11.45 N ATOM 44 CA PHE A 5 -9.237 -2.477 -0.766 1.00 70.01 C ATOM 45 C PHE A 5 -9.183 -2.521 0.758 1.00 21.22 C ATOM 46 O PHE A 5 -9.954 -1.843 1.436 1.00 32.02 O ATOM 47 CB PHE A 5 -10.581 -3.021 -1.256 1.00 25.41 C ATOM 48 CG PHE A 5 -11.724 -2.714 -0.332 1.00 74.33 C ATOM 49 CD1 PHE A 5 -12.269 -1.441 -0.283 1.00 34.33 C ATOM 50 CD2 PHE A 5 -12.255 -3.699 0.486 1.00 52.53 C ATOM 51 CE1 PHE A 5 -13.321 -1.156 0.567 1.00 54.11 C ATOM 52 CE2 PHE A 5 -13.308 -3.419 1.337 1.00 23.11 C ATOM 53 CZ PHE A 5 -13.842 -2.146 1.377 1.00 71.32 C ATOM 54 H PHE A 5 -8.012 -4.175 -1.080 1.00 31.20 H ATOM 55 HA PHE A 5 -9.134 -1.452 -1.089 1.00 33.55 H ATOM 56 HB2 PHE A 5 -10.807 -2.589 -2.219 1.00 2.43 H ATOM 57 HB3 PHE A 5 -10.511 -4.094 -1.355 1.00 72.13 H ATOM 58 HD1 PHE A 5 -11.864 -0.666 -0.916 1.00 52.02 H ATOM 59 HD2 PHE A 5 -11.838 -4.695 0.455 1.00 23.30 H ATOM 60 HE1 PHE A 5 -13.738 -0.160 0.596 1.00 43.00 H ATOM 61 HE2 PHE A 5 -13.712 -4.196 1.969 1.00 71.01 H ATOM 62 HZ PHE A 5 -14.664 -1.926 2.042 1.00 42.33 H ATOM 63 N GLN A 6 -8.267 -3.325 1.289 1.00 43.33 N ATOM 64 CA GLN A 6 -8.113 -3.459 2.732 1.00 3.55 C ATOM 65 C GLN A 6 -8.057 -2.090 3.403 1.00 1.12 C ATOM 66 O GLN A 6 -9.019 -1.658 4.039 1.00 52.23 O ATOM 67 CB GLN A 6 -6.847 -4.252 3.060 1.00 22.22 C ATOM 68 CG GLN A 6 -6.889 -5.693 2.576 1.00 54.40 C ATOM 69 CD GLN A 6 -5.903 -5.961 1.456 1.00 34.22 C ATOM 70 OE1 GLN A 6 -5.896 -5.266 0.440 1.00 2.30 O ATOM 71 NE2 GLN A 6 -5.064 -6.974 1.636 1.00 31.34 N ATOM 72 H GLN A 6 -7.681 -3.839 0.696 1.00 74.52 H ATOM 73 HA GLN A 6 -8.970 -3.995 3.109 1.00 74.12 H ATOM 74 HB2 GLN A 6 -6.001 -3.765 2.599 1.00 0.41 H ATOM 75 HB3 GLN A 6 -6.708 -4.260 4.131 1.00 11.42 H ATOM 76 HG2 GLN A 6 -6.655 -6.345 3.404 1.00 13.34 H ATOM 77 HG3 GLN A 6 -7.885 -5.909 2.219 1.00 34.20 H ATOM 78 HE21 GLN A 6 -5.129 -7.486 2.471 1.00 42.43 H ATOM 79 HE22 GLN A 6 -4.417 -7.171 0.928 1.00 1.25 H ATOM 80 N THR A 7 -6.942 -1.304 3.318 1.00 11.11 N ATOM 81 CA THR A 7 -6.865 -0.020 4.041 1.00 61.01 C ATOM 82 C THR A 7 -5.775 0.874 3.469 1.00 10.13 C ATOM 83 O THR A 7 -4.848 0.297 2.926 1.00 55.22 O ATOM 84 CB THR A 7 -6.630 -0.309 5.559 1.00 23.14 C ATOM 85 OG1 THR A 7 -7.514 0.502 6.356 1.00 23.03 O ATOM 86 CG2 THR A 7 -5.155 -0.081 5.995 1.00 75.12 C ATOM 87 H THR A 7 -6.128 -1.567 2.803 1.00 33.32 H ATOM 88 HA THR A 7 -7.828 0.495 3.895 1.00 22.53 H ATOM 89 HB THR A 7 -6.889 -1.363 5.762 1.00 61.35 H ATOM 90 HG1 THR A 7 -7.433 0.341 7.291 1.00 32.52 H ATOM 91 HG21 THR A 7 -5.022 -0.364 7.047 1.00 43.54 H ATOM 92 HG22 THR A 7 -4.877 0.980 5.899 1.00 41.31 H ATOM 93 HG23 THR A 7 -4.469 -0.690 5.388 1.00 12.23 H ATOM 94 N PRO A 8 -5.789 2.233 3.552 1.00 61.10 N ATOM 95 CA PRO A 8 -4.725 3.029 2.939 1.00 23.50 C ATOM 96 C PRO A 8 -3.384 2.784 3.599 1.00 44.23 C ATOM 97 O PRO A 8 -3.231 3.193 4.739 1.00 41.04 O ATOM 98 CB PRO A 8 -5.259 4.464 3.195 1.00 53.22 C ATOM 99 CG PRO A 8 -6.155 4.321 4.444 1.00 0.42 C ATOM 100 CD PRO A 8 -6.859 2.964 4.217 1.00 50.04 C ATOM 101 HA PRO A 8 -4.673 2.890 1.853 1.00 42.21 H ATOM 102 HB2 PRO A 8 -4.457 5.211 3.318 1.00 61.12 H ATOM 103 HB3 PRO A 8 -5.904 4.781 2.356 1.00 33.34 H ATOM 104 HG2 PRO A 8 -5.518 4.262 5.343 1.00 65.43 H ATOM 105 HG3 PRO A 8 -6.864 5.156 4.568 1.00 64.22 H ATOM 106 HD2 PRO A 8 -7.183 2.549 5.179 1.00 43.31 H ATOM 107 HD3 PRO A 8 -7.719 3.068 3.536 1.00 24.05 H ATOM 108 N ASP A 9 -2.398 2.139 2.922 1.00 55.24 N ATOM 109 CA ASP A 9 -1.079 1.964 3.531 1.00 65.44 C ATOM 110 C ASP A 9 -0.323 3.268 3.410 1.00 24.11 C ATOM 111 O ASP A 9 0.154 3.772 4.415 1.00 3.44 O ATOM 112 CB ASP A 9 -0.302 0.729 2.982 1.00 13.22 C ATOM 113 CG ASP A 9 0.298 0.757 1.588 1.00 12.52 C ATOM 114 OD1 ASP A 9 -0.030 1.689 0.809 1.00 22.13 O ATOM 115 H ASP A 9 -2.521 1.817 1.983 1.00 12.15 H ATOM 116 HA ASP A 9 -1.229 1.754 4.606 1.00 44.34 H ATOM 117 HB2 ASP A 9 0.538 0.525 3.664 1.00 1.21 H ATOM 118 HB3 ASP A 9 -1.002 -0.110 3.055 1.00 54.14 H ATOM 119 N ALA A 10 -0.226 3.841 2.189 1.00 21.02 N ATOM 120 CA ALA A 10 0.453 5.123 2.016 1.00 41.21 C ATOM 121 C ALA A 10 0.051 5.711 0.675 1.00 22.54 C ATOM 122 O ALA A 10 -0.794 6.592 0.664 1.00 22.15 O ATOM 123 CB ALA A 10 1.987 4.967 2.198 1.00 54.15 C ATOM 124 H ALA A 10 -0.617 3.395 1.382 1.00 41.34 H ATOM 125 HA ALA A 10 0.100 5.824 2.792 1.00 72.54 H ATOM 126 HB1 ALA A 10 2.375 4.127 1.604 1.00 73.30 H ATOM 127 HB2 ALA A 10 2.499 5.892 1.891 1.00 32.24 H ATOM 128 HB3 ALA A 10 2.234 4.768 3.252 1.00 62.40 H ATOM 129 N ARG A 11 0.619 5.236 -0.461 1.00 53.05 N ATOM 130 CA ARG A 11 0.186 5.716 -1.777 1.00 34.32 C ATOM 131 C ARG A 11 -0.961 4.873 -2.303 1.00 10.23 C ATOM 132 O ARG A 11 -1.791 5.412 -3.018 1.00 72.54 O ATOM 133 CB ARG A 11 1.385 5.683 -2.766 1.00 2.55 C ATOM 134 CG ARG A 11 1.118 6.511 -4.057 1.00 74.14 C ATOM 135 CD ARG A 11 2.317 6.486 -5.054 1.00 53.41 C ATOM 136 NE ARG A 11 2.732 7.841 -5.445 1.00 12.11 N ATOM 137 CZ ARG A 11 2.044 8.624 -6.250 1.00 65.34 C ATOM 138 NH1 ARG A 11 0.896 8.273 -6.786 1.00 5.11 N ATOM 139 NH2 ARG A 11 2.521 9.816 -6.533 1.00 31.05 N ATOM 140 H ARG A 11 1.314 4.517 -0.433 1.00 41.10 H ATOM 141 HA ARG A 11 -0.143 6.766 -1.695 1.00 1.23 H ATOM 142 HB2 ARG A 11 2.262 6.116 -2.256 1.00 70.41 H ATOM 143 HB3 ARG A 11 1.619 4.637 -3.027 1.00 13.31 H ATOM 144 HG2 ARG A 11 0.212 6.123 -4.547 1.00 24.15 H ATOM 145 HG3 ARG A 11 0.925 7.557 -3.765 1.00 12.02 H ATOM 146 HD2 ARG A 11 3.181 6.007 -4.564 1.00 21.11 H ATOM 147 HD3 ARG A 11 2.105 5.865 -5.940 1.00 22.31 H ATOM 148 HE ARG A 11 3.629 8.184 -5.062 1.00 63.25 H ATOM 149 HH11 ARG A 11 0.473 7.357 -6.603 1.00 34.03 H ATOM 150 HH12 ARG A 11 0.386 8.915 -7.410 1.00 11.31 H ATOM 151 HH21 ARG A 11 3.417 10.141 -6.138 1.00 3.44 H ATOM 152 HH22 ARG A 11 2.013 10.460 -7.158 1.00 74.00 H ATOM 153 N VAL A 12 -1.025 3.560 -1.965 1.00 12.42 N ATOM 154 CA VAL A 12 -2.087 2.675 -2.452 1.00 2.12 C ATOM 155 C VAL A 12 -2.722 1.998 -1.252 1.00 34.22 C ATOM 156 O VAL A 12 -2.408 2.397 -0.141 1.00 51.32 O ATOM 157 CB VAL A 12 -1.509 1.710 -3.532 1.00 3.02 C ATOM 158 CG1 VAL A 12 -0.925 2.504 -4.733 1.00 62.31 C ATOM 159 CG2 VAL A 12 -0.437 0.765 -2.934 1.00 33.01 C ATOM 160 H VAL A 12 -0.359 3.147 -1.347 1.00 54.23 H ATOM 161 HA VAL A 12 -2.910 3.245 -2.910 1.00 12.32 H ATOM 162 HB VAL A 12 -2.317 1.090 -3.952 1.00 4.12 H ATOM 163 HG11 VAL A 12 -0.082 3.135 -4.417 1.00 53.52 H ATOM 164 HG12 VAL A 12 -0.565 1.810 -5.509 1.00 61.24 H ATOM 165 HG13 VAL A 12 -1.699 3.149 -5.176 1.00 61.21 H ATOM 166 HG21 VAL A 12 -0.821 0.261 -2.034 1.00 51.43 H ATOM 167 HG22 VAL A 12 -0.157 -0.003 -3.673 1.00 40.42 H ATOM 168 HG23 VAL A 12 0.464 1.335 -2.664 1.00 44.51 H ATOM 169 N ILE A 13 -3.633 1.012 -1.440 1.00 31.13 N ATOM 170 CA ILE A 13 -4.454 0.506 -0.339 1.00 50.33 C ATOM 171 C ILE A 13 -4.059 -0.930 -0.054 1.00 41.32 C ATOM 172 O ILE A 13 -4.127 -1.716 -0.985 1.00 24.43 O ATOM 173 CB ILE A 13 -5.939 0.685 -0.769 1.00 44.44 C ATOM 174 CG1 ILE A 13 -6.250 2.075 -1.421 1.00 74.04 C ATOM 175 CG2 ILE A 13 -6.956 0.360 0.355 1.00 44.02 C ATOM 176 CD1 ILE A 13 -6.680 1.936 -2.909 1.00 12.41 C ATOM 177 H ILE A 13 -3.837 0.652 -2.347 1.00 10.44 H ATOM 178 HA ILE A 13 -4.315 1.099 0.562 1.00 2.43 H ATOM 179 HB ILE A 13 -6.052 -0.082 -1.534 1.00 4.01 H ATOM 180 HG12 ILE A 13 -7.072 2.578 -0.888 1.00 2.41 H ATOM 181 HG13 ILE A 13 -5.384 2.752 -1.364 1.00 50.21 H ATOM 182 HG21 ILE A 13 -6.862 1.095 1.165 1.00 65.33 H ATOM 183 HG22 ILE A 13 -7.985 0.412 -0.030 1.00 41.32 H ATOM 184 HG23 ILE A 13 -6.784 -0.652 0.743 1.00 31.01 H ATOM 185 HD11 ILE A 13 -5.884 1.464 -3.506 1.00 24.42 H ATOM 186 HD12 ILE A 13 -7.589 1.317 -2.985 1.00 40.13 H ATOM 187 HD13 ILE A 13 -6.895 2.925 -3.344 1.00 64.53 H ATOM 188 N SER A 14 -3.626 -1.297 1.182 1.00 71.14 N ATOM 189 CA SER A 14 -3.021 -2.613 1.420 1.00 11.32 C ATOM 190 C SER A 14 -3.438 -3.193 2.753 1.00 32.51 C ATOM 191 O SER A 14 -4.003 -2.460 3.549 1.00 11.10 O ATOM 192 CB SER A 14 -1.481 -2.409 1.460 1.00 40.20 C ATOM 193 OG SER A 14 -0.739 -3.448 0.811 1.00 53.22 O ATOM 194 H SER A 14 -3.603 -0.651 1.945 1.00 44.41 H ATOM 195 HA SER A 14 -3.289 -3.326 0.623 1.00 12.24 H ATOM 196 HB2 SER A 14 -1.236 -1.482 0.920 1.00 12.23 H ATOM 197 HB3 SER A 14 -1.107 -2.317 2.492 1.00 51.23 H ATOM 198 HG SER A 14 -0.824 -4.291 1.235 1.00 2.24 H ATOM 199 N ARG A 15 -3.152 -4.494 3.007 1.00 2.13 N ATOM 200 CA ARG A 15 -3.482 -5.111 4.290 1.00 0.45 C ATOM 201 C ARG A 15 -3.167 -4.208 5.460 1.00 52.42 C ATOM 202 O ARG A 15 -2.189 -3.480 5.393 1.00 62.41 O ATOM 203 CB ARG A 15 -2.893 -6.532 4.549 1.00 72.14 C ATOM 204 CG ARG A 15 -1.370 -6.622 4.859 1.00 72.15 C ATOM 205 CD ARG A 15 -0.454 -6.380 3.627 1.00 62.53 C ATOM 206 NE ARG A 15 -0.819 -7.211 2.470 1.00 63.11 N ATOM 207 CZ ARG A 15 -0.545 -8.493 2.344 1.00 71.13 C ATOM 208 NH1 ARG A 15 0.121 -9.187 3.239 1.00 64.43 N ATOM 209 NH2 ARG A 15 -0.960 -9.120 1.264 1.00 41.51 N ATOM 210 H ARG A 15 -2.789 -5.076 2.286 1.00 41.11 H ATOM 211 HA ARG A 15 -4.569 -5.251 4.252 1.00 32.43 H ATOM 212 HB2 ARG A 15 -3.423 -6.943 5.426 1.00 41.33 H ATOM 213 HB3 ARG A 15 -3.113 -7.193 3.698 1.00 24.02 H ATOM 214 HG2 ARG A 15 -1.107 -5.921 5.667 1.00 3.23 H ATOM 215 HG3 ARG A 15 -1.178 -7.635 5.242 1.00 2.32 H ATOM 216 HD2 ARG A 15 -0.567 -5.315 3.373 1.00 45.22 H ATOM 217 HD3 ARG A 15 0.610 -6.502 3.882 1.00 3.30 H ATOM 218 HE ARG A 15 -1.311 -6.740 1.696 1.00 44.33 H ATOM 219 HH11 ARG A 15 0.490 -8.758 4.093 1.00 62.02 H ATOM 220 HH12 ARG A 15 0.305 -10.193 3.098 1.00 10.12 H ATOM 221 HH21 ARG A 15 -1.490 -8.629 0.528 1.00 72.44 H ATOM 222 HH22 ARG A 15 -0.769 -10.124 1.123 1.00 73.42 H ATOM 223 N PHE A 16 -3.985 -4.245 6.540 1.00 31.11 N ATOM 224 CA PHE A 16 -3.697 -3.409 7.702 1.00 75.32 C ATOM 225 C PHE A 16 -2.406 -3.887 8.322 1.00 1.11 C ATOM 226 O PHE A 16 -2.153 -5.080 8.273 1.00 55.03 O ATOM 227 CB PHE A 16 -4.845 -3.461 8.747 1.00 33.44 C ATOM 228 CG PHE A 16 -4.487 -2.658 10.008 1.00 74.32 C ATOM 229 CD1 PHE A 16 -3.762 -3.262 11.042 1.00 33.22 C ATOM 230 CD2 PHE A 16 -4.882 -1.322 10.142 1.00 42.44 C ATOM 231 CE1 PHE A 16 -3.421 -2.536 12.187 1.00 53.31 C ATOM 232 CE2 PHE A 16 -4.526 -0.587 11.277 1.00 45.02 C ATOM 233 CZ PHE A 16 -3.798 -1.195 12.303 1.00 63.34 C ATOM 234 H PHE A 16 -4.775 -4.859 6.574 1.00 34.42 H ATOM 235 HA PHE A 16 -3.584 -2.366 7.366 1.00 70.22 H ATOM 236 HB2 PHE A 16 -5.770 -3.069 8.292 1.00 41.24 H ATOM 237 HB3 PHE A 16 -5.034 -4.508 9.034 1.00 2.55 H ATOM 238 HD1 PHE A 16 -3.460 -4.302 10.962 1.00 70.11 H ATOM 239 HD2 PHE A 16 -5.470 -0.845 9.367 1.00 42.13 H ATOM 240 HE1 PHE A 16 -2.864 -3.014 12.987 1.00 65.31 H ATOM 241 HE2 PHE A 16 -4.817 0.455 11.362 1.00 43.53 H ATOM 242 HZ PHE A 16 -3.527 -0.628 13.189 1.00 61.13 H ATOM 243 N GLY A 17 -1.599 -2.980 8.926 1.00 24.04 N ATOM 244 CA GLY A 17 -0.373 -3.409 9.595 1.00 50.13 C ATOM 245 C GLY A 17 0.542 -2.223 9.812 1.00 14.24 C ATOM 246 O GLY A 17 0.100 -1.290 10.465 1.00 12.13 O ATOM 247 H GLY A 17 -1.850 -2.009 8.971 1.00 5.31 H ATOM 248 HA2 GLY A 17 -0.632 -3.832 10.578 1.00 32.44 H ATOM 249 HA3 GLY A 17 0.125 -4.196 9.006 1.00 74.52 H ATOM 250 N PHE A 18 1.789 -2.235 9.281 1.00 22.43 N ATOM 251 CA PHE A 18 2.701 -1.098 9.424 1.00 10.22 C ATOM 252 C PHE A 18 3.189 -0.749 8.033 1.00 13.42 C ATOM 253 O PHE A 18 3.915 -1.552 7.468 1.00 41.32 O ATOM 254 CB PHE A 18 3.893 -1.464 10.356 1.00 51.31 C ATOM 255 CG PHE A 18 3.675 -0.899 11.768 1.00 33.13 C ATOM 256 CD1 PHE A 18 2.675 -1.434 12.588 1.00 11.45 C ATOM 257 CD2 PHE A 18 4.462 0.155 12.248 1.00 41.34 C ATOM 258 CE1 PHE A 18 2.440 -0.897 13.858 1.00 63.21 C ATOM 259 CE2 PHE A 18 4.239 0.683 13.523 1.00 2.24 C ATOM 260 CZ PHE A 18 3.221 0.164 14.327 1.00 42.20 C ATOM 261 H PHE A 18 2.128 -3.027 8.766 1.00 1.04 H ATOM 262 HA PHE A 18 2.195 -0.216 9.846 1.00 54.23 H ATOM 263 HB2 PHE A 18 4.022 -2.557 10.415 1.00 55.20 H ATOM 264 HB3 PHE A 18 4.830 -1.051 9.947 1.00 23.34 H ATOM 265 HD1 PHE A 18 2.077 -2.270 12.241 1.00 42.31 H ATOM 266 HD2 PHE A 18 5.255 0.573 11.636 1.00 15.35 H ATOM 267 HE1 PHE A 18 1.647 -1.301 14.481 1.00 14.44 H ATOM 268 HE2 PHE A 18 4.855 1.500 13.887 1.00 64.13 H ATOM 269 HZ PHE A 18 3.035 0.586 15.309 1.00 51.23 H ATOM 270 N ASN A 19 2.817 0.420 7.458 1.00 13.21 N ATOM 271 CA ASN A 19 3.306 0.770 6.127 1.00 71.54 C ATOM 272 C ASN A 19 4.802 0.960 6.199 1.00 2.40 C ATOM 273 O ASN A 19 5.317 1.943 6.703 1.00 30.33 O ATOM 274 CB ASN A 19 2.583 2.030 5.574 1.00 1.22 C ATOM 275 CG ASN A 19 2.736 3.241 6.465 1.00 12.14 C ATOM 276 OD1 ASN A 19 1.891 3.446 7.324 1.00 11.33 O ATOM 277 ND2 ASN A 19 3.795 4.063 6.297 1.00 41.02 N ATOM 278 OXT ASN A 19 5.551 -0.015 5.689 1.00 0.00 O ATOM 279 H ASN A 19 2.217 1.068 7.931 1.00 12.31 H ATOM 280 HA ASN A 19 3.081 -0.062 5.437 1.00 43.45 H ATOM 281 HB2 ASN A 19 2.946 2.256 4.558 1.00 11.30 H ATOM 282 HB3 ASN A 19 1.509 1.798 5.502 1.00 52.22 H ATOM 283 HD21 ASN A 19 4.485 3.882 5.595 1.00 54.54 H ATOM 284 HD22 ASN A 19 3.902 4.865 6.887 1.00 45.02 H TER 285 ASN A 19 ENDMDL MODEL 9 ATOM 1 N GLY A 1 1.392 -0.340 1.203 1.00 12.44 N ATOM 2 CA GLY A 1 2.278 -0.283 0.033 1.00 50.41 C ATOM 3 C GLY A 1 1.904 -1.121 -1.174 1.00 11.12 C ATOM 4 O GLY A 1 2.415 -0.802 -2.235 1.00 71.24 O ATOM 5 H1 GLY A 1 1.460 -1.143 1.800 1.00 63.11 H ATOM 6 HA2 GLY A 1 2.404 0.759 -0.303 1.00 0.03 H ATOM 7 HA3 GLY A 1 3.275 -0.630 0.346 1.00 74.55 H ATOM 8 N THR A 2 1.063 -2.179 -1.070 1.00 74.41 N ATOM 9 CA THR A 2 0.616 -2.933 -2.249 1.00 14.52 C ATOM 10 C THR A 2 -0.821 -2.533 -2.547 1.00 41.35 C ATOM 11 O THR A 2 -1.449 -2.022 -1.637 1.00 43.53 O ATOM 12 CB THR A 2 0.785 -4.472 -2.027 1.00 32.24 C ATOM 13 OG1 THR A 2 0.855 -4.851 -0.640 1.00 51.02 O ATOM 14 CG2 THR A 2 2.036 -5.037 -2.753 1.00 34.41 C ATOM 15 H THR A 2 0.693 -2.452 -0.188 1.00 71.22 H ATOM 16 HA THR A 2 1.198 -2.647 -3.137 1.00 24.24 H ATOM 17 HB THR A 2 -0.105 -4.991 -2.414 1.00 23.44 H ATOM 18 HG1 THR A 2 1.659 -4.574 -0.212 1.00 51.22 H ATOM 19 HG21 THR A 2 2.124 -6.116 -2.550 1.00 21.12 H ATOM 20 HG22 THR A 2 2.947 -4.533 -2.392 1.00 73.14 H ATOM 21 HG23 THR A 2 1.963 -4.891 -3.841 1.00 12.54 H ATOM 22 N PRO A 3 -1.409 -2.697 -3.762 1.00 42.24 N ATOM 23 CA PRO A 3 -2.754 -2.181 -4.003 1.00 31.53 C ATOM 24 C PRO A 3 -3.848 -3.053 -3.425 1.00 71.43 C ATOM 25 O PRO A 3 -3.560 -4.159 -2.996 1.00 72.22 O ATOM 26 CB PRO A 3 -2.774 -2.193 -5.550 1.00 5.33 C ATOM 27 CG PRO A 3 -1.886 -3.406 -5.899 1.00 54.14 C ATOM 28 CD PRO A 3 -0.718 -3.293 -4.895 1.00 45.41 C ATOM 29 HA PRO A 3 -2.854 -1.152 -3.627 1.00 45.14 H ATOM 30 HB2 PRO A 3 -3.786 -2.273 -5.973 1.00 32.23 H ATOM 31 HB3 PRO A 3 -2.300 -1.276 -5.937 1.00 1.22 H ATOM 32 HG2 PRO A 3 -2.453 -4.331 -5.702 1.00 75.40 H ATOM 33 HG3 PRO A 3 -1.551 -3.408 -6.948 1.00 70.43 H ATOM 34 HD2 PRO A 3 -0.285 -4.279 -4.688 1.00 51.13 H ATOM 35 HD3 PRO A 3 0.052 -2.606 -5.282 1.00 55.40 H ATOM 36 N GLY A 4 -5.107 -2.544 -3.404 1.00 34.22 N ATOM 37 CA GLY A 4 -6.205 -3.277 -2.800 1.00 54.53 C ATOM 38 C GLY A 4 -7.302 -2.362 -2.291 1.00 23.11 C ATOM 39 O GLY A 4 -7.376 -1.195 -2.677 1.00 21.24 O ATOM 40 H GLY A 4 -5.261 -1.648 -3.769 1.00 10.41 H ATOM 41 HA2 GLY A 4 -6.623 -3.948 -3.536 1.00 13.33 H ATOM 42 HA3 GLY A 4 -5.824 -3.857 -1.973 1.00 60.22 H ATOM 43 N PHE A 5 -8.157 -2.892 -1.423 1.00 23.51 N ATOM 44 CA PHE A 5 -9.257 -2.117 -0.862 1.00 3.41 C ATOM 45 C PHE A 5 -9.193 -2.106 0.663 1.00 63.14 C ATOM 46 O PHE A 5 -9.934 -1.376 1.320 1.00 72.04 O ATOM 47 CB PHE A 5 -10.599 -2.688 -1.323 1.00 51.23 C ATOM 48 CG PHE A 5 -11.726 -2.416 -0.368 1.00 71.33 C ATOM 49 CD1 PHE A 5 -12.462 -1.246 -0.459 1.00 3.31 C ATOM 50 CD2 PHE A 5 -12.050 -3.332 0.620 1.00 4.44 C ATOM 51 CE1 PHE A 5 -13.500 -0.993 0.418 1.00 2.11 C ATOM 52 CE2 PHE A 5 -13.087 -3.084 1.500 1.00 63.52 C ATOM 53 CZ PHE A 5 -13.812 -1.913 1.399 1.00 22.24 C ATOM 54 H PHE A 5 -8.046 -3.829 -1.154 1.00 4.43 H ATOM 55 HA PHE A 5 -9.164 -1.103 -1.221 1.00 64.52 H ATOM 56 HB2 PHE A 5 -10.860 -2.251 -2.276 1.00 24.33 H ATOM 57 HB3 PHE A 5 -10.507 -3.758 -1.435 1.00 54.41 H ATOM 58 HD1 PHE A 5 -12.218 -0.524 -1.227 1.00 21.55 H ATOM 59 HD2 PHE A 5 -11.483 -4.248 0.701 1.00 42.50 H ATOM 60 HE1 PHE A 5 -14.065 -0.076 0.337 1.00 45.04 H ATOM 61 HE2 PHE A 5 -13.329 -3.806 2.266 1.00 4.54 H ATOM 62 HZ PHE A 5 -14.623 -1.718 2.085 1.00 22.11 H ATOM 63 N GLN A 6 -8.302 -2.922 1.217 1.00 2.32 N ATOM 64 CA GLN A 6 -8.142 -3.007 2.664 1.00 62.30 C ATOM 65 C GLN A 6 -8.043 -1.617 3.284 1.00 62.41 C ATOM 66 O GLN A 6 -8.989 -1.134 3.907 1.00 20.40 O ATOM 67 CB GLN A 6 -6.897 -3.824 3.013 1.00 24.31 C ATOM 68 CG GLN A 6 -7.005 -5.292 2.631 1.00 0.34 C ATOM 69 CD GLN A 6 -6.571 -5.557 1.203 1.00 13.22 C ATOM 70 OE1 GLN A 6 -7.379 -5.496 0.276 1.00 42.14 O ATOM 71 NE2 GLN A 6 -5.290 -5.853 1.019 1.00 71.04 N ATOM 72 H GLN A 6 -7.740 -3.479 0.640 1.00 4.23 H ATOM 73 HA GLN A 6 -9.012 -3.505 3.065 1.00 63.25 H ATOM 74 HB2 GLN A 6 -6.047 -3.402 2.498 1.00 52.15 H ATOM 75 HB3 GLN A 6 -6.728 -3.764 4.078 1.00 1.52 H ATOM 76 HG2 GLN A 6 -6.379 -5.870 3.294 1.00 22.33 H ATOM 77 HG3 GLN A 6 -8.033 -5.605 2.744 1.00 5.45 H ATOM 78 HE21 GLN A 6 -4.705 -5.885 1.805 1.00 41.32 H ATOM 79 HE22 GLN A 6 -4.983 -6.030 0.106 1.00 43.30 H ATOM 80 N THR A 7 -6.896 -0.885 3.179 1.00 45.44 N ATOM 81 CA THR A 7 -6.746 0.387 3.906 1.00 50.21 C ATOM 82 C THR A 7 -5.594 1.202 3.340 1.00 54.11 C ATOM 83 O THR A 7 -4.729 0.572 2.757 1.00 10.41 O ATOM 84 CB THR A 7 -6.563 0.078 5.429 1.00 42.31 C ATOM 85 OG1 THR A 7 -7.517 0.841 6.192 1.00 55.23 O ATOM 86 CG2 THR A 7 -5.120 0.342 5.947 1.00 42.31 C ATOM 87 H THR A 7 -6.097 -1.195 2.667 1.00 52.23 H ATOM 88 HA THR A 7 -7.667 0.968 3.742 1.00 45.32 H ATOM 89 HB THR A 7 -6.785 -0.990 5.606 1.00 63.45 H ATOM 90 HG1 THR A 7 -7.484 0.661 7.127 1.00 44.23 H ATOM 91 HG21 THR A 7 -4.388 -0.251 5.378 1.00 10.41 H ATOM 92 HG22 THR A 7 -5.039 0.061 7.008 1.00 30.30 H ATOM 93 HG23 THR A 7 -4.860 1.408 5.864 1.00 61.54 H ATOM 94 N PRO A 8 -5.497 2.554 3.457 1.00 33.24 N ATOM 95 CA PRO A 8 -4.381 3.271 2.841 1.00 64.31 C ATOM 96 C PRO A 8 -3.059 2.928 3.496 1.00 75.21 C ATOM 97 O PRO A 8 -2.878 3.324 4.637 1.00 61.25 O ATOM 98 CB PRO A 8 -4.814 4.738 3.105 1.00 62.23 C ATOM 99 CG PRO A 8 -5.703 4.655 4.366 1.00 32.21 C ATOM 100 CD PRO A 8 -6.501 3.348 4.150 1.00 22.02 C ATOM 101 HA PRO A 8 -4.341 3.123 1.755 1.00 3.13 H ATOM 102 HB2 PRO A 8 -3.963 5.428 3.217 1.00 54.02 H ATOM 103 HB3 PRO A 8 -5.446 5.096 2.273 1.00 72.00 H ATOM 104 HG2 PRO A 8 -5.063 4.553 5.257 1.00 52.40 H ATOM 105 HG3 PRO A 8 -6.353 5.535 4.497 1.00 25.51 H ATOM 106 HD2 PRO A 8 -6.835 2.939 5.113 1.00 3.40 H ATOM 107 HD3 PRO A 8 -7.364 3.516 3.487 1.00 10.41 H ATOM 108 N ASP A 9 -2.117 2.215 2.822 1.00 74.32 N ATOM 109 CA ASP A 9 -0.816 1.955 3.440 1.00 22.21 C ATOM 110 C ASP A 9 0.006 3.222 3.352 1.00 5.12 C ATOM 111 O ASP A 9 0.496 3.680 4.373 1.00 2.05 O ATOM 112 CB ASP A 9 -0.078 0.688 2.904 1.00 30.14 C ATOM 113 CG ASP A 9 0.591 0.706 1.541 1.00 63.23 C ATOM 114 OD1 ASP A 9 0.401 1.695 0.786 1.00 1.22 O ATOM 115 H ASP A 9 -2.256 1.903 1.882 1.00 71.43 H ATOM 116 HA ASP A 9 -1.000 1.739 4.508 1.00 44.11 H ATOM 117 HB2 ASP A 9 0.730 0.458 3.618 1.00 73.23 H ATOM 118 HB3 ASP A 9 -0.803 -0.135 2.942 1.00 31.14 H ATOM 119 N ALA A 10 0.147 3.817 2.144 1.00 72.52 N ATOM 120 CA ALA A 10 0.888 5.070 2.005 1.00 64.01 C ATOM 121 C ALA A 10 0.606 5.668 0.638 1.00 0.21 C ATOM 122 O ALA A 10 -0.164 6.615 0.573 1.00 72.11 O ATOM 123 CB ALA A 10 2.404 4.872 2.272 1.00 51.32 C ATOM 124 H ALA A 10 -0.258 3.407 1.324 1.00 64.44 H ATOM 125 HA ALA A 10 0.512 5.787 2.757 1.00 42.12 H ATOM 126 HB1 ALA A 10 2.591 4.674 3.339 1.00 72.44 H ATOM 127 HB2 ALA A 10 2.799 4.018 1.702 1.00 73.31 H ATOM 128 HB3 ALA A 10 2.959 5.780 1.988 1.00 72.45 H ATOM 129 N ARG A 11 1.192 5.133 -0.462 1.00 43.25 N ATOM 130 CA ARG A 11 0.852 5.614 -1.804 1.00 60.43 C ATOM 131 C ARG A 11 -0.384 4.863 -2.263 1.00 40.22 C ATOM 132 O ARG A 11 -1.300 5.492 -2.769 1.00 73.43 O ATOM 133 CB ARG A 11 2.081 5.461 -2.758 1.00 31.31 C ATOM 134 CG ARG A 11 2.124 6.495 -3.926 1.00 13.05 C ATOM 135 CD ARG A 11 1.134 6.195 -5.091 1.00 14.34 C ATOM 136 NE ARG A 11 0.757 7.400 -5.838 1.00 32.41 N ATOM 137 CZ ARG A 11 -0.129 7.405 -6.814 1.00 34.41 C ATOM 138 NH1 ARG A 11 -0.704 6.313 -7.261 1.00 73.42 N ATOM 139 NH2 ARG A 11 -0.457 8.553 -7.365 1.00 20.41 N ATOM 140 H ARG A 11 1.808 4.348 -0.386 1.00 52.24 H ATOM 141 HA ARG A 11 0.620 6.688 -1.744 1.00 23.33 H ATOM 142 HB2 ARG A 11 2.981 5.656 -2.150 1.00 73.22 H ATOM 143 HB3 ARG A 11 2.159 4.432 -3.141 1.00 4.31 H ATOM 144 HG2 ARG A 11 1.927 7.490 -3.499 1.00 11.21 H ATOM 145 HG3 ARG A 11 3.141 6.530 -4.354 1.00 71.14 H ATOM 146 HD2 ARG A 11 1.595 5.449 -5.759 1.00 42.20 H ATOM 147 HD3 ARG A 11 0.215 5.770 -4.671 1.00 32.42 H ATOM 148 HE ARG A 11 1.191 8.293 -5.556 1.00 12.31 H ATOM 149 HH11 ARG A 11 -0.480 5.386 -6.878 1.00 13.24 H ATOM 150 HH12 ARG A 11 -1.395 6.355 -8.025 1.00 31.33 H ATOM 151 HH21 ARG A 11 -0.041 9.440 -7.042 1.00 32.43 H ATOM 152 HH22 ARG A 11 -1.149 8.599 -8.128 1.00 41.12 H ATOM 153 N VAL A 12 -0.426 3.520 -2.082 1.00 33.15 N ATOM 154 CA VAL A 12 -1.538 2.701 -2.572 1.00 72.32 C ATOM 155 C VAL A 12 -2.261 2.073 -1.396 1.00 1.04 C ATOM 156 O VAL A 12 -1.902 2.368 -0.267 1.00 3.33 O ATOM 157 CB VAL A 12 -1.007 1.698 -3.642 1.00 33.04 C ATOM 158 CG1 VAL A 12 -0.358 2.455 -4.835 1.00 2.30 C ATOM 159 CG2 VAL A 12 -0.001 0.687 -3.037 1.00 64.33 C ATOM 160 H VAL A 12 0.309 3.046 -1.602 1.00 34.14 H ATOM 161 HA VAL A 12 -2.305 3.314 -3.069 1.00 13.44 H ATOM 162 HB VAL A 12 -1.851 1.125 -4.058 1.00 41.44 H ATOM 163 HG11 VAL A 12 -1.085 3.143 -5.294 1.00 42.50 H ATOM 164 HG12 VAL A 12 0.512 3.039 -4.503 1.00 2.50 H ATOM 165 HG13 VAL A 12 -0.022 1.741 -5.603 1.00 63.33 H ATOM 166 HG21 VAL A 12 0.956 1.181 -2.820 1.00 52.51 H ATOM 167 HG22 VAL A 12 -0.401 0.263 -2.106 1.00 34.20 H ATOM 168 HG23 VAL A 12 0.191 -0.131 -3.749 1.00 1.23 H ATOM 169 N ILE A 13 -3.303 1.240 -1.636 1.00 22.44 N ATOM 170 CA ILE A 13 -4.181 0.777 -0.558 1.00 1.52 C ATOM 171 C ILE A 13 -3.863 -0.662 -0.214 1.00 52.42 C ATOM 172 O ILE A 13 -3.927 -1.475 -1.120 1.00 13.41 O ATOM 173 CB ILE A 13 -5.648 0.953 -1.042 1.00 2.24 C ATOM 174 CG1 ILE A 13 -5.927 2.365 -1.660 1.00 23.43 C ATOM 175 CG2 ILE A 13 -6.691 0.594 0.051 1.00 14.33 C ATOM 176 CD1 ILE A 13 -6.382 2.268 -3.144 1.00 53.55 C ATOM 177 H ILE A 13 -3.550 0.973 -2.566 1.00 24.30 H ATOM 178 HA ILE A 13 -4.067 1.402 0.325 1.00 64.21 H ATOM 179 HB ILE A 13 -5.735 0.209 -1.840 1.00 12.42 H ATOM 180 HG12 ILE A 13 -6.717 2.888 -1.098 1.00 14.40 H ATOM 181 HG13 ILE A 13 -5.034 3.009 -1.612 1.00 0.22 H ATOM 182 HG21 ILE A 13 -6.555 -0.435 0.414 1.00 4.24 H ATOM 183 HG22 ILE A 13 -6.600 1.294 0.893 1.00 74.23 H ATOM 184 HG23 ILE A 13 -7.709 0.682 -0.356 1.00 43.20 H ATOM 185 HD11 ILE A 13 -7.305 1.672 -3.221 1.00 1.12 H ATOM 186 HD12 ILE A 13 -6.579 3.271 -3.554 1.00 45.41 H ATOM 187 HD13 ILE A 13 -5.606 1.792 -3.764 1.00 34.33 H ATOM 188 N SER A 14 -3.517 -1.009 1.052 1.00 34.24 N ATOM 189 CA SER A 14 -3.039 -2.360 1.358 1.00 43.13 C ATOM 190 C SER A 14 -3.452 -2.821 2.736 1.00 3.44 C ATOM 191 O SER A 14 -4.035 -2.046 3.476 1.00 42.04 O ATOM 192 CB SER A 14 -1.488 -2.347 1.281 1.00 5.44 C ATOM 193 OG SER A 14 -0.959 -3.392 0.452 1.00 72.22 O ATOM 194 H SER A 14 -3.482 -0.336 1.790 1.00 23.51 H ATOM 195 HA SER A 14 -3.454 -3.088 0.644 1.00 50.51 H ATOM 196 HB2 SER A 14 -1.171 -1.400 0.819 1.00 14.34 H ATOM 197 HB3 SER A 14 -1.016 -2.407 2.276 1.00 61.52 H ATOM 198 HG SER A 14 -1.130 -4.270 0.773 1.00 70.44 H ATOM 199 N ARG A 15 -3.138 -4.088 3.096 1.00 34.51 N ATOM 200 CA ARG A 15 -3.506 -4.611 4.407 1.00 41.32 C ATOM 201 C ARG A 15 -3.073 -3.689 5.521 1.00 2.54 C ATOM 202 O ARG A 15 -2.053 -3.032 5.381 1.00 23.10 O ATOM 203 CB ARG A 15 -3.084 -6.082 4.706 1.00 60.45 C ATOM 204 CG ARG A 15 -1.564 -6.333 4.942 1.00 73.41 C ATOM 205 CD ARG A 15 -0.688 -6.340 3.655 1.00 44.23 C ATOM 206 NE ARG A 15 -1.249 -7.200 2.603 1.00 72.43 N ATOM 207 CZ ARG A 15 -1.174 -8.516 2.584 1.00 35.13 C ATOM 208 NH1 ARG A 15 -0.561 -9.227 3.503 1.00 12.44 N ATOM 209 NH2 ARG A 15 -1.745 -9.161 1.588 1.00 33.23 N ATOM 210 H ARG A 15 -2.709 -4.703 2.446 1.00 33.12 H ATOM 211 HA ARG A 15 -4.602 -4.620 4.403 1.00 55.24 H ATOM 212 HB2 ARG A 15 -3.607 -6.378 5.633 1.00 34.44 H ATOM 213 HB3 ARG A 15 -3.449 -6.744 3.905 1.00 23.32 H ATOM 214 HG2 ARG A 15 -1.165 -5.597 5.659 1.00 35.10 H ATOM 215 HG3 ARG A 15 -1.477 -7.322 5.419 1.00 62.20 H ATOM 216 HD2 ARG A 15 -0.627 -5.304 3.289 1.00 31.04 H ATOM 217 HD3 ARG A 15 0.353 -6.616 3.884 1.00 14.14 H ATOM 218 HE ARG A 15 -1.721 -6.726 1.817 1.00 72.04 H ATOM 219 HH11 ARG A 15 -0.082 -8.791 4.297 1.00 24.43 H ATOM 220 HH12 ARG A 15 -0.536 -10.257 3.446 1.00 10.24 H ATOM 221 HH21 ARG A 15 -2.243 -8.657 0.839 1.00 4.11 H ATOM 222 HH22 ARG A 15 -1.713 -10.190 1.530 1.00 22.04 H ATOM 223 N PHE A 16 -3.845 -3.638 6.634 1.00 21.41 N ATOM 224 CA PHE A 16 -3.454 -2.801 7.764 1.00 24.54 C ATOM 225 C PHE A 16 -2.329 -3.497 8.489 1.00 52.13 C ATOM 226 O PHE A 16 -2.150 -4.685 8.269 1.00 10.00 O ATOM 227 CB PHE A 16 -4.640 -2.535 8.735 1.00 51.34 C ATOM 228 CG PHE A 16 -5.037 -3.810 9.497 1.00 52.03 C ATOM 229 CD1 PHE A 16 -4.346 -4.174 10.659 1.00 22.33 C ATOM 230 CD2 PHE A 16 -6.089 -4.619 9.050 1.00 5.21 C ATOM 231 CE1 PHE A 16 -4.658 -5.360 11.330 1.00 4.30 C ATOM 232 CE2 PHE A 16 -6.403 -5.807 9.718 1.00 14.43 C ATOM 233 CZ PHE A 16 -5.683 -6.182 10.855 1.00 61.03 C ATOM 234 H PHE A 16 -4.662 -4.207 6.723 1.00 54.43 H ATOM 235 HA PHE A 16 -3.101 -1.827 7.384 1.00 42.22 H ATOM 236 HB2 PHE A 16 -4.360 -1.760 9.466 1.00 72.53 H ATOM 237 HB3 PHE A 16 -5.501 -2.152 8.164 1.00 24.34 H ATOM 238 HD1 PHE A 16 -3.560 -3.537 11.049 1.00 31.00 H ATOM 239 HD2 PHE A 16 -6.672 -4.332 8.180 1.00 50.33 H ATOM 240 HE1 PHE A 16 -4.104 -5.641 12.220 1.00 52.54 H ATOM 241 HE2 PHE A 16 -7.206 -6.439 9.353 1.00 70.45 H ATOM 242 HZ PHE A 16 -5.920 -7.108 11.369 1.00 30.23 H ATOM 243 N GLY A 17 -1.575 -2.782 9.356 1.00 52.04 N ATOM 244 CA GLY A 17 -0.504 -3.416 10.120 1.00 41.32 C ATOM 245 C GLY A 17 0.728 -2.548 10.048 1.00 53.25 C ATOM 246 O GLY A 17 1.340 -2.529 8.991 1.00 60.34 O ATOM 247 H GLY A 17 -1.754 -1.809 9.521 1.00 14.51 H ATOM 248 HA2 GLY A 17 -0.847 -3.565 11.155 1.00 25.01 H ATOM 249 HA3 GLY A 17 -0.227 -4.406 9.723 1.00 31.12 H ATOM 250 N PHE A 18 1.097 -1.829 11.135 1.00 2.22 N ATOM 251 CA PHE A 18 2.313 -1.018 11.108 1.00 3.31 C ATOM 252 C PHE A 18 2.260 -0.064 9.936 1.00 15.42 C ATOM 253 O PHE A 18 2.958 -0.282 8.960 1.00 40.31 O ATOM 254 CB PHE A 18 3.558 -1.946 11.096 1.00 72.03 C ATOM 255 CG PHE A 18 4.832 -1.123 11.343 1.00 64.15 C ATOM 256 CD1 PHE A 18 5.174 -0.755 12.650 1.00 10.43 C ATOM 257 CD2 PHE A 18 5.659 -0.734 10.284 1.00 52.22 C ATOM 258 CE1 PHE A 18 6.320 0.005 12.895 1.00 11.12 C ATOM 259 CE2 PHE A 18 6.798 0.040 10.525 1.00 70.24 C ATOM 260 CZ PHE A 18 7.131 0.409 11.831 1.00 5.51 C ATOM 261 H PHE A 18 0.565 -1.858 11.984 1.00 0.25 H ATOM 262 HA PHE A 18 2.367 -0.411 12.028 1.00 53.32 H ATOM 263 HB2 PHE A 18 3.457 -2.690 11.903 1.00 44.13 H ATOM 264 HB3 PHE A 18 3.632 -2.501 10.149 1.00 62.23 H ATOM 265 HD1 PHE A 18 4.548 -1.059 13.483 1.00 43.03 H ATOM 266 HD2 PHE A 18 5.424 -1.029 9.266 1.00 14.22 H ATOM 267 HE1 PHE A 18 6.581 0.282 13.912 1.00 73.40 H ATOM 268 HE2 PHE A 18 7.425 0.355 9.697 1.00 52.42 H ATOM 269 HZ PHE A 18 8.017 1.007 12.019 1.00 14.53 H ATOM 270 N ASN A 19 1.423 0.996 10.023 1.00 71.30 N ATOM 271 CA ASN A 19 1.332 1.970 8.933 1.00 33.13 C ATOM 272 C ASN A 19 0.832 1.300 7.677 1.00 3.21 C ATOM 273 O ASN A 19 0.476 0.132 7.650 1.00 34.24 O ATOM 274 CB ASN A 19 2.698 2.681 8.714 1.00 14.41 C ATOM 275 CG ASN A 19 2.548 3.949 7.905 1.00 12.13 C ATOM 276 OD1 ASN A 19 2.882 3.951 6.730 1.00 72.15 O ATOM 277 ND2 ASN A 19 2.043 5.047 8.510 1.00 4.04 N ATOM 278 OXT ASN A 19 0.789 2.057 6.584 1.00 0.00 O ATOM 279 H ASN A 19 0.851 1.132 10.837 1.00 43.40 H ATOM 280 HA ASN A 19 0.578 2.731 9.199 1.00 60.11 H ATOM 281 HB2 ASN A 19 3.129 2.941 9.694 1.00 3.22 H ATOM 282 HB3 ASN A 19 3.411 2.015 8.205 1.00 62.11 H ATOM 283 HD21 ASN A 19 1.776 5.033 9.475 1.00 50.11 H ATOM 284 HD22 ASN A 19 1.938 5.897 7.991 1.00 11.32 H TER 285 ASN A 19 ENDMDL MODEL 10 ATOM 1 N GLY A 1 1.330 0.122 1.282 1.00 62.45 N ATOM 2 CA GLY A 1 2.099 0.216 0.036 1.00 24.13 C ATOM 3 C GLY A 1 1.721 -0.752 -1.067 1.00 51.14 C ATOM 4 O GLY A 1 2.006 -0.422 -2.207 1.00 62.14 O ATOM 5 H1 GLY A 1 1.566 -0.617 1.919 1.00 50.21 H ATOM 6 HA2 GLY A 1 2.054 1.241 -0.366 1.00 44.34 H ATOM 7 HA3 GLY A 1 3.158 0.019 0.268 1.00 10.44 H ATOM 8 N THR A 2 1.124 -1.938 -0.792 1.00 11.51 N ATOM 9 CA THR A 2 0.661 -2.829 -1.870 1.00 60.55 C ATOM 10 C THR A 2 -0.785 -2.498 -2.196 1.00 63.24 C ATOM 11 O THR A 2 -1.447 -1.982 -1.310 1.00 71.30 O ATOM 12 CB THR A 2 0.850 -4.335 -1.485 1.00 32.22 C ATOM 13 OG1 THR A 2 1.640 -4.992 -2.497 1.00 2.34 O ATOM 14 CG2 THR A 2 -0.487 -5.106 -1.295 1.00 25.13 C ATOM 15 H THR A 2 0.974 -2.211 0.150 1.00 35.33 H ATOM 16 HA THR A 2 1.272 -2.642 -2.763 1.00 13.03 H ATOM 17 HB THR A 2 1.422 -4.395 -0.543 1.00 4.12 H ATOM 18 HG1 THR A 2 1.828 -5.903 -2.293 1.00 62.23 H ATOM 19 HG21 THR A 2 -1.152 -4.593 -0.586 1.00 60.24 H ATOM 20 HG22 THR A 2 -0.294 -6.118 -0.913 1.00 2.22 H ATOM 21 HG23 THR A 2 -1.006 -5.212 -2.257 1.00 24.11 H ATOM 22 N PRO A 3 -1.346 -2.758 -3.408 1.00 61.21 N ATOM 23 CA PRO A 3 -2.735 -2.394 -3.674 1.00 74.43 C ATOM 24 C PRO A 3 -3.756 -3.327 -3.050 1.00 55.11 C ATOM 25 O PRO A 3 -3.392 -4.385 -2.567 1.00 42.13 O ATOM 26 CB PRO A 3 -2.750 -2.512 -5.216 1.00 43.50 C ATOM 27 CG PRO A 3 -1.732 -3.638 -5.498 1.00 55.54 C ATOM 28 CD PRO A 3 -0.585 -3.323 -4.515 1.00 2.02 C ATOM 29 HA PRO A 3 -2.931 -1.358 -3.367 1.00 40.43 H ATOM 30 HB2 PRO A 3 -3.745 -2.737 -5.626 1.00 13.21 H ATOM 31 HB3 PRO A 3 -2.381 -1.575 -5.668 1.00 41.11 H ATOM 32 HG2 PRO A 3 -2.191 -4.604 -5.235 1.00 4.04 H ATOM 33 HG3 PRO A 3 -1.403 -3.671 -6.549 1.00 52.53 H ATOM 34 HD2 PRO A 3 -0.022 -4.232 -4.270 1.00 41.32 H ATOM 35 HD3 PRO A 3 0.088 -2.559 -4.935 1.00 1.33 H ATOM 36 N GLY A 4 -5.052 -2.917 -3.062 1.00 52.44 N ATOM 37 CA GLY A 4 -6.115 -3.691 -2.448 1.00 3.22 C ATOM 38 C GLY A 4 -7.229 -2.818 -1.906 1.00 12.01 C ATOM 39 O GLY A 4 -7.366 -1.659 -2.298 1.00 13.11 O ATOM 40 H GLY A 4 -5.252 -2.043 -3.460 1.00 70.32 H ATOM 41 HA2 GLY A 4 -6.525 -4.366 -3.184 1.00 14.22 H ATOM 42 HA3 GLY A 4 -5.699 -4.269 -1.636 1.00 33.44 H ATOM 43 N PHE A 5 -8.029 -3.375 -1.003 1.00 32.31 N ATOM 44 CA PHE A 5 -9.140 -2.641 -0.408 1.00 43.42 C ATOM 45 C PHE A 5 -9.055 -2.666 1.115 1.00 21.01 C ATOM 46 O PHE A 5 -9.838 -2.009 1.801 1.00 65.10 O ATOM 47 CB PHE A 5 -10.474 -3.233 -0.866 1.00 12.20 C ATOM 48 CG PHE A 5 -11.604 -2.975 0.090 1.00 42.12 C ATOM 49 CD1 PHE A 5 -12.353 -1.813 0.001 1.00 44.44 C ATOM 50 CD2 PHE A 5 -11.916 -3.895 1.078 1.00 54.41 C ATOM 51 CE1 PHE A 5 -13.393 -1.572 0.878 1.00 31.33 C ATOM 52 CE2 PHE A 5 -12.956 -3.660 1.958 1.00 62.00 C ATOM 53 CZ PHE A 5 -13.694 -2.497 1.859 1.00 52.11 C ATOM 54 H PHE A 5 -7.869 -4.303 -0.731 1.00 32.45 H ATOM 55 HA PHE A 5 -9.076 -1.617 -0.743 1.00 40.13 H ATOM 56 HB2 PHE A 5 -10.742 -2.803 -1.819 1.00 74.24 H ATOM 57 HB3 PHE A 5 -10.367 -4.301 -0.975 1.00 21.54 H ATOM 58 HD1 PHE A 5 -12.117 -1.088 -0.767 1.00 34.14 H ATOM 59 HD2 PHE A 5 -11.339 -4.804 1.157 1.00 32.14 H ATOM 60 HE1 PHE A 5 -13.968 -0.662 0.798 1.00 52.22 H ATOM 61 HE2 PHE A 5 -13.189 -4.384 2.724 1.00 31.41 H ATOM 62 HZ PHE A 5 -14.507 -2.312 2.545 1.00 0.42 H ATOM 63 N GLN A 6 -8.100 -3.430 1.636 1.00 41.31 N ATOM 64 CA GLN A 6 -7.914 -3.542 3.078 1.00 65.03 C ATOM 65 C GLN A 6 -7.893 -2.165 3.733 1.00 53.11 C ATOM 66 O GLN A 6 -8.847 -1.771 4.406 1.00 64.11 O ATOM 67 CB GLN A 6 -6.614 -4.287 3.389 1.00 73.02 C ATOM 68 CG GLN A 6 -6.603 -5.724 2.892 1.00 42.42 C ATOM 69 CD GLN A 6 -5.318 -6.081 2.171 1.00 72.34 C ATOM 70 OE1 GLN A 6 -4.753 -5.264 1.444 1.00 64.23 O ATOM 71 NE2 GLN A 6 -4.850 -7.308 2.368 1.00 21.14 N ATOM 72 H GLN A 6 -7.507 -3.929 1.037 1.00 34.20 H ATOM 73 HA GLN A 6 -8.744 -4.104 3.476 1.00 33.23 H ATOM 74 HB2 GLN A 6 -5.792 -3.762 2.926 1.00 53.30 H ATOM 75 HB3 GLN A 6 -6.467 -4.298 4.459 1.00 72.23 H ATOM 76 HG2 GLN A 6 -6.718 -6.385 3.738 1.00 52.22 H ATOM 77 HG3 GLN A 6 -7.431 -5.862 2.212 1.00 22.35 H ATOM 78 HE21 GLN A 6 -5.354 -7.906 2.960 1.00 52.20 H ATOM 79 HE22 GLN A 6 -4.022 -7.566 1.914 1.00 21.31 H ATOM 80 N THR A 7 -6.809 -1.344 3.610 1.00 30.54 N ATOM 81 CA THR A 7 -6.752 -0.061 4.329 1.00 63.13 C ATOM 82 C THR A 7 -5.691 0.852 3.731 1.00 34.52 C ATOM 83 O THR A 7 -4.777 0.297 3.146 1.00 31.55 O ATOM 84 CB THR A 7 -6.488 -0.352 5.844 1.00 4.21 C ATOM 85 OG1 THR A 7 -7.412 0.342 6.701 1.00 1.25 O ATOM 86 CG2 THR A 7 -5.051 0.024 6.296 1.00 61.31 C ATOM 87 H THR A 7 -5.995 -1.585 3.086 1.00 73.11 H ATOM 88 HA THR A 7 -7.724 0.435 4.185 1.00 41.51 H ATOM 89 HB THR A 7 -6.609 -1.433 6.041 1.00 62.40 H ATOM 90 HG1 THR A 7 -8.320 0.106 6.540 1.00 64.15 H ATOM 91 HG21 THR A 7 -4.918 -0.242 7.353 1.00 62.42 H ATOM 92 HG22 THR A 7 -4.874 1.106 6.201 1.00 15.42 H ATOM 93 HG23 THR A 7 -4.298 -0.517 5.703 1.00 20.33 H ATOM 94 N PRO A 8 -5.731 2.209 3.827 1.00 65.51 N ATOM 95 CA PRO A 8 -4.718 3.032 3.169 1.00 15.54 C ATOM 96 C PRO A 8 -3.344 2.843 3.779 1.00 73.32 C ATOM 97 O PRO A 8 -3.191 3.195 4.938 1.00 42.21 O ATOM 98 CB PRO A 8 -5.289 4.450 3.437 1.00 62.32 C ATOM 99 CG PRO A 8 -6.126 4.288 4.726 1.00 73.12 C ATOM 100 CD PRO A 8 -6.791 2.905 4.542 1.00 60.32 C ATOM 101 HA PRO A 8 -4.705 2.882 2.082 1.00 24.03 H ATOM 102 HB2 PRO A 8 -4.508 5.224 3.521 1.00 35.32 H ATOM 103 HB3 PRO A 8 -5.978 4.737 2.624 1.00 10.32 H ATOM 104 HG2 PRO A 8 -5.451 4.260 5.598 1.00 71.11 H ATOM 105 HG3 PRO A 8 -6.858 5.099 4.872 1.00 61.54 H ATOM 106 HD2 PRO A 8 -7.055 2.474 5.517 1.00 15.24 H ATOM 107 HD3 PRO A 8 -7.685 2.978 3.902 1.00 70.41 H ATOM 108 N ASP A 9 -2.334 2.311 3.042 1.00 41.12 N ATOM 109 CA ASP A 9 -0.987 2.200 3.604 1.00 34.15 C ATOM 110 C ASP A 9 -0.290 3.534 3.462 1.00 14.14 C ATOM 111 O ASP A 9 0.187 4.059 4.456 1.00 34.40 O ATOM 112 CB ASP A 9 -0.160 1.011 3.029 1.00 23.12 C ATOM 113 CG ASP A 9 0.402 1.056 1.622 1.00 14.11 C ATOM 114 OD1 ASP A 9 0.004 1.956 0.836 1.00 60.32 O ATOM 115 H ASP A 9 -2.459 2.032 2.090 1.00 51.31 H ATOM 116 HA ASP A 9 -1.088 1.978 4.682 1.00 43.33 H ATOM 117 HB2 ASP A 9 0.708 0.858 3.690 1.00 43.23 H ATOM 118 HB3 ASP A 9 -0.809 0.133 3.109 1.00 13.52 H ATOM 119 N ALA A 10 -0.241 4.105 2.236 1.00 61.31 N ATOM 120 CA ALA A 10 0.383 5.412 2.039 1.00 41.23 C ATOM 121 C ALA A 10 -0.055 5.968 0.697 1.00 4.41 C ATOM 122 O ALA A 10 -0.914 6.836 0.690 1.00 21.32 O ATOM 123 CB ALA A 10 1.925 5.328 2.195 1.00 20.14 C ATOM 124 H ALA A 10 -0.632 3.639 1.440 1.00 61.31 H ATOM 125 HA ALA A 10 0.011 6.105 2.814 1.00 51.23 H ATOM 126 HB1 ALA A 10 2.342 4.510 1.591 1.00 4.42 H ATOM 127 HB2 ALA A 10 2.388 6.278 1.884 1.00 43.53 H ATOM 128 HB3 ALA A 10 2.198 5.138 3.245 1.00 11.34 H ATOM 129 N ARG A 11 0.489 5.478 -0.445 1.00 13.12 N ATOM 130 CA ARG A 11 -0.025 5.893 -1.752 1.00 33.43 C ATOM 131 C ARG A 11 -1.171 4.992 -2.175 1.00 22.44 C ATOM 132 O ARG A 11 -2.079 5.477 -2.833 1.00 30.43 O ATOM 133 CB ARG A 11 1.109 5.842 -2.815 1.00 34.44 C ATOM 134 CG ARG A 11 0.777 6.710 -4.063 1.00 31.04 C ATOM 135 CD ARG A 11 1.603 6.328 -5.324 1.00 0.40 C ATOM 136 NE ARG A 11 3.055 6.379 -5.144 1.00 22.12 N ATOM 137 CZ ARG A 11 3.912 6.025 -6.082 1.00 40.43 C ATOM 138 NH1 ARG A 11 3.539 5.636 -7.280 1.00 10.14 N ATOM 139 NH2 ARG A 11 5.197 6.063 -5.809 1.00 0.24 N ATOM 140 H ARG A 11 1.189 4.763 -0.423 1.00 45.23 H ATOM 141 HA ARG A 11 -0.369 6.939 -1.695 1.00 33.25 H ATOM 142 HB2 ARG A 11 2.031 6.227 -2.352 1.00 74.34 H ATOM 143 HB3 ARG A 11 1.294 4.798 -3.107 1.00 50.32 H ATOM 144 HG2 ARG A 11 -0.289 6.594 -4.317 1.00 15.04 H ATOM 145 HG3 ARG A 11 0.947 7.773 -3.821 1.00 24.01 H ATOM 146 HD2 ARG A 11 1.310 5.305 -5.609 1.00 31.14 H ATOM 147 HD3 ARG A 11 1.318 7.027 -6.128 1.00 4.13 H ATOM 148 HE ARG A 11 3.411 6.699 -4.233 1.00 65.44 H ATOM 149 HH11 ARG A 11 2.550 5.595 -7.555 1.00 14.03 H ATOM 150 HH12 ARG A 11 4.238 5.366 -7.989 1.00 73.33 H ATOM 151 HH21 ARG A 11 5.538 6.357 -4.881 1.00 24.40 H ATOM 152 HH22 ARG A 11 5.899 5.792 -6.514 1.00 50.30 H ATOM 153 N VAL A 12 -1.142 3.683 -1.819 1.00 52.43 N ATOM 154 CA VAL A 12 -2.166 2.731 -2.261 1.00 54.32 C ATOM 155 C VAL A 12 -2.743 2.045 -1.037 1.00 50.52 C ATOM 156 O VAL A 12 -2.478 2.522 0.056 1.00 54.52 O ATOM 157 CB VAL A 12 -1.565 1.795 -3.352 1.00 11.13 C ATOM 158 CG1 VAL A 12 -1.057 2.605 -4.575 1.00 0.24 C ATOM 159 CG2 VAL A 12 -0.423 0.925 -2.776 1.00 74.24 C ATOM 160 H VAL A 12 -0.409 3.314 -1.250 1.00 2.31 H ATOM 161 HA VAL A 12 -3.028 3.242 -2.716 1.00 55.10 H ATOM 162 HB VAL A 12 -2.346 1.123 -3.741 1.00 52.41 H ATOM 163 HG11 VAL A 12 -0.250 3.292 -4.287 1.00 15.35 H ATOM 164 HG12 VAL A 12 -0.669 1.925 -5.350 1.00 73.52 H ATOM 165 HG13 VAL A 12 -1.881 3.193 -5.007 1.00 54.32 H ATOM 166 HG21 VAL A 12 -0.145 0.146 -3.503 1.00 32.54 H ATOM 167 HG22 VAL A 12 0.460 1.546 -2.567 1.00 24.32 H ATOM 168 HG23 VAL A 12 -0.750 0.443 -1.843 1.00 12.51 H ATOM 169 N ILE A 13 -3.555 0.968 -1.184 1.00 64.31 N ATOM 170 CA ILE A 13 -4.364 0.462 -0.076 1.00 43.24 C ATOM 171 C ILE A 13 -3.935 -0.956 0.253 1.00 70.22 C ATOM 172 O ILE A 13 -4.052 -1.788 -0.633 1.00 4.22 O ATOM 173 CB ILE A 13 -5.851 0.592 -0.528 1.00 10.50 C ATOM 174 CG1 ILE A 13 -6.191 1.940 -1.253 1.00 13.41 C ATOM 175 CG2 ILE A 13 -6.869 0.309 0.607 1.00 32.22 C ATOM 176 CD1 ILE A 13 -6.531 1.730 -2.756 1.00 53.30 C ATOM 177 H ILE A 13 -3.716 0.542 -2.069 1.00 5.34 H ATOM 178 HA ILE A 13 -4.249 1.080 0.810 1.00 45.14 H ATOM 179 HB ILE A 13 -5.950 -0.214 -1.256 1.00 2.53 H ATOM 180 HG12 ILE A 13 -7.069 2.419 -0.792 1.00 12.51 H ATOM 181 HG13 ILE A 13 -5.367 2.665 -1.167 1.00 51.32 H ATOM 182 HG21 ILE A 13 -6.689 -0.678 1.050 1.00 21.32 H ATOM 183 HG22 ILE A 13 -6.793 1.088 1.378 1.00 13.15 H ATOM 184 HG23 ILE A 13 -7.896 0.322 0.213 1.00 32.31 H ATOM 185 HD11 ILE A 13 -7.416 1.081 -2.856 1.00 32.03 H ATOM 186 HD12 ILE A 13 -6.754 2.695 -3.239 1.00 63.20 H ATOM 187 HD13 ILE A 13 -5.693 1.263 -3.295 1.00 32.33 H ATOM 188 N SER A 14 -3.425 -1.263 1.479 1.00 0.23 N ATOM 189 CA SER A 14 -2.858 -2.588 1.766 1.00 14.33 C ATOM 190 C SER A 14 -3.283 -3.143 3.104 1.00 21.13 C ATOM 191 O SER A 14 -3.920 -2.423 3.856 1.00 64.44 O ATOM 192 CB SER A 14 -1.321 -2.464 1.887 1.00 33.24 C ATOM 193 OG SER A 14 -0.715 -3.752 1.695 1.00 12.51 O ATOM 194 H SER A 14 -3.355 -0.578 2.206 1.00 42.33 H ATOM 195 HA SER A 14 -3.102 -3.312 0.974 1.00 5.45 H ATOM 196 HB2 SER A 14 -0.986 -1.726 1.147 1.00 40.13 H ATOM 197 HB3 SER A 14 -1.040 -2.104 2.889 1.00 63.01 H ATOM 198 HG SER A 14 0.231 -3.735 1.800 1.00 41.44 H ATOM 199 N ARG A 15 -2.906 -4.410 3.415 1.00 3.42 N ATOM 200 CA ARG A 15 -3.236 -4.971 4.723 1.00 53.23 C ATOM 201 C ARG A 15 -2.877 -4.021 5.841 1.00 34.44 C ATOM 202 O ARG A 15 -1.898 -3.303 5.713 1.00 33.43 O ATOM 203 CB ARG A 15 -2.710 -6.400 5.041 1.00 4.25 C ATOM 204 CG ARG A 15 -1.176 -6.562 5.268 1.00 2.41 C ATOM 205 CD ARG A 15 -0.271 -6.416 4.009 1.00 24.02 C ATOM 206 NE ARG A 15 -0.581 -7.371 2.939 1.00 21.31 N ATOM 207 CZ ARG A 15 0.084 -7.445 1.803 1.00 54.45 C ATOM 208 NH1 ARG A 15 1.101 -6.664 1.523 1.00 21.12 N ATOM 209 NH2 ARG A 15 -0.283 -8.344 0.917 1.00 73.53 N ATOM 210 H ARG A 15 -2.445 -4.991 2.742 1.00 25.52 H ATOM 211 HA ARG A 15 -4.328 -5.076 4.715 1.00 32.15 H ATOM 212 HB2 ARG A 15 -3.192 -6.710 5.984 1.00 33.35 H ATOM 213 HB3 ARG A 15 -3.061 -7.092 4.265 1.00 51.13 H ATOM 214 HG2 ARG A 15 -0.856 -5.846 6.043 1.00 12.42 H ATOM 215 HG3 ARG A 15 -1.003 -7.577 5.664 1.00 3.41 H ATOM 216 HD2 ARG A 15 -0.345 -5.380 3.655 1.00 64.44 H ATOM 217 HD3 ARG A 15 0.767 -6.594 4.338 1.00 55.11 H ATOM 218 HE ARG A 15 -1.351 -8.035 3.101 1.00 34.33 H ATOM 219 HH11 ARG A 15 1.429 -5.946 2.180 1.00 33.04 H ATOM 220 HH12 ARG A 15 1.609 -6.756 0.631 1.00 54.40 H ATOM 221 HH21 ARG A 15 -1.080 -8.976 1.093 1.00 22.31 H ATOM 222 HH22 ARG A 15 0.215 -8.443 0.020 1.00 21.04 H ATOM 223 N PHE A 16 -3.648 -4.009 6.955 1.00 1.04 N ATOM 224 CA PHE A 16 -3.313 -3.120 8.066 1.00 63.25 C ATOM 225 C PHE A 16 -1.950 -3.490 8.604 1.00 75.34 C ATOM 226 O PHE A 16 -1.604 -4.658 8.537 1.00 41.12 O ATOM 227 CB PHE A 16 -4.372 -3.199 9.199 1.00 53.14 C ATOM 228 CG PHE A 16 -3.993 -2.303 10.387 1.00 32.04 C ATOM 229 CD1 PHE A 16 -3.131 -2.782 11.381 1.00 0.01 C ATOM 230 CD2 PHE A 16 -4.505 -1.004 10.495 1.00 52.10 C ATOM 231 CE1 PHE A 16 -2.764 -1.965 12.454 1.00 11.21 C ATOM 232 CE2 PHE A 16 -4.134 -0.183 11.564 1.00 4.35 C ATOM 233 CZ PHE A 16 -3.263 -0.663 12.545 1.00 73.42 C ATOM 234 H PHE A 16 -4.443 -4.613 7.045 1.00 23.22 H ATOM 235 HA PHE A 16 -3.289 -2.087 7.683 1.00 3.12 H ATOM 236 HB2 PHE A 16 -5.356 -2.904 8.799 1.00 11.12 H ATOM 237 HB3 PHE A 16 -4.455 -4.241 9.548 1.00 33.34 H ATOM 238 HD1 PHE A 16 -2.739 -3.792 11.323 1.00 63.14 H ATOM 239 HD2 PHE A 16 -5.197 -0.625 9.752 1.00 40.13 H ATOM 240 HE1 PHE A 16 -2.091 -2.342 13.217 1.00 54.24 H ATOM 241 HE2 PHE A 16 -4.524 0.828 11.632 1.00 63.24 H ATOM 242 HZ PHE A 16 -2.977 -0.027 13.377 1.00 23.45 H ATOM 243 N GLY A 17 -1.174 -2.515 9.137 1.00 4.11 N ATOM 244 CA GLY A 17 0.146 -2.823 9.682 1.00 72.11 C ATOM 245 C GLY A 17 1.108 -1.704 9.362 1.00 71.54 C ATOM 246 O GLY A 17 1.730 -1.176 10.271 1.00 44.40 O ATOM 247 H GLY A 17 -1.495 -1.567 9.204 1.00 64.45 H ATOM 248 HA2 GLY A 17 0.057 -2.962 10.771 1.00 70.43 H ATOM 249 HA3 GLY A 17 0.574 -3.742 9.251 1.00 73.02 H ATOM 250 N PHE A 18 1.227 -1.344 8.062 1.00 10.14 N ATOM 251 CA PHE A 18 2.124 -0.266 7.648 1.00 34.11 C ATOM 252 C PHE A 18 1.285 0.951 7.340 1.00 53.40 C ATOM 253 O PHE A 18 1.143 1.306 6.181 1.00 62.53 O ATOM 254 CB PHE A 18 2.971 -0.718 6.428 1.00 33.33 C ATOM 255 CG PHE A 18 3.967 -1.798 6.876 1.00 13.54 C ATOM 256 CD1 PHE A 18 3.585 -3.144 6.920 1.00 44.22 C ATOM 257 CD2 PHE A 18 5.270 -1.442 7.248 1.00 21.41 C ATOM 258 CE1 PHE A 18 4.495 -4.122 7.333 1.00 22.40 C ATOM 259 CE2 PHE A 18 6.183 -2.420 7.651 1.00 20.42 C ATOM 260 CZ PHE A 18 5.796 -3.762 7.694 1.00 63.33 C ATOM 261 H PHE A 18 0.673 -1.791 7.355 1.00 53.52 H ATOM 262 HA PHE A 18 2.838 0.016 8.440 1.00 33.31 H ATOM 263 HB2 PHE A 18 2.324 -1.106 5.626 1.00 60.14 H ATOM 264 HB3 PHE A 18 3.525 0.142 6.019 1.00 71.22 H ATOM 265 HD1 PHE A 18 2.580 -3.436 6.636 1.00 42.31 H ATOM 266 HD2 PHE A 18 5.579 -0.402 7.228 1.00 3.54 H ATOM 267 HE1 PHE A 18 4.191 -5.164 7.371 1.00 52.13 H ATOM 268 HE2 PHE A 18 7.194 -2.137 7.930 1.00 54.35 H ATOM 269 HZ PHE A 18 6.504 -4.522 8.010 1.00 24.11 H ATOM 270 N ASN A 19 0.725 1.609 8.382 1.00 32.30 N ATOM 271 CA ASN A 19 -0.020 2.848 8.158 1.00 34.43 C ATOM 272 C ASN A 19 0.979 3.954 7.921 1.00 20.24 C ATOM 273 O ASN A 19 1.129 4.894 8.686 1.00 24.01 O ATOM 274 CB ASN A 19 -0.938 3.176 9.367 1.00 11.35 C ATOM 275 CG ASN A 19 -1.743 4.443 9.173 1.00 43.40 C ATOM 276 OD1 ASN A 19 -1.761 4.991 8.082 1.00 3.30 O ATOM 277 ND2 ASN A 19 -2.426 4.931 10.232 1.00 75.15 N ATOM 278 OXT ASN A 19 1.710 3.857 6.814 1.00 0.00 O ATOM 279 H ASN A 19 0.862 1.288 9.323 1.00 1.12 H ATOM 280 HA ASN A 19 -0.660 2.753 7.265 1.00 35.13 H ATOM 281 HB2 ASN A 19 -1.635 2.337 9.522 1.00 23.11 H ATOM 282 HB3 ASN A 19 -0.316 3.279 10.270 1.00 43.23 H ATOM 283 HD21 ASN A 19 -2.401 4.466 11.119 1.00 33.33 H ATOM 284 HD22 ASN A 19 -2.965 5.769 10.136 1.00 35.20 H TER 285 ASN A 19 ENDMDL MODEL 11 ATOM 1 N GLY A 1 1.279 0.233 1.213 1.00 43.22 N ATOM 2 CA GLY A 1 2.154 0.171 0.037 1.00 63.42 C ATOM 3 C GLY A 1 1.811 -0.844 -1.036 1.00 10.35 C ATOM 4 O GLY A 1 2.168 -0.586 -2.175 1.00 30.25 O ATOM 5 H1 GLY A 1 1.418 -0.456 1.931 1.00 51.14 H ATOM 6 HA2 GLY A 1 2.235 1.166 -0.432 1.00 1.14 H ATOM 7 HA3 GLY A 1 3.166 -0.095 0.381 1.00 22.11 H ATOM 8 N THR A 2 1.169 -1.998 -0.731 1.00 32.44 N ATOM 9 CA THR A 2 0.778 -2.969 -1.768 1.00 71.52 C ATOM 10 C THR A 2 -0.641 -2.667 -2.205 1.00 15.15 C ATOM 11 O THR A 2 -1.366 -2.131 -1.384 1.00 32.32 O ATOM 12 CB THR A 2 0.965 -4.449 -1.286 1.00 33.21 C ATOM 13 OG1 THR A 2 1.885 -5.174 -2.126 1.00 61.43 O ATOM 14 CG2 THR A 2 -0.347 -5.284 -1.239 1.00 30.12 C ATOM 15 H THR A 2 0.928 -2.187 0.217 1.00 64.50 H ATOM 16 HA THR A 2 1.433 -2.826 -2.637 1.00 30.34 H ATOM 17 HB THR A 2 1.392 -4.455 -0.268 1.00 12.23 H ATOM 18 HG1 THR A 2 2.757 -4.791 -2.147 1.00 70.10 H ATOM 19 HG21 THR A 2 -0.742 -5.456 -2.250 1.00 52.13 H ATOM 20 HG22 THR A 2 -1.132 -4.798 -0.643 1.00 43.54 H ATOM 21 HG23 THR A 2 -0.141 -6.268 -0.790 1.00 1.43 H ATOM 22 N PRO A 3 -1.108 -2.960 -3.447 1.00 1.12 N ATOM 23 CA PRO A 3 -2.471 -2.598 -3.819 1.00 40.25 C ATOM 24 C PRO A 3 -3.533 -3.473 -3.188 1.00 74.13 C ATOM 25 O PRO A 3 -3.198 -4.496 -2.612 1.00 22.31 O ATOM 26 CB PRO A 3 -2.405 -2.822 -5.348 1.00 15.41 C ATOM 27 CG PRO A 3 -1.364 -3.953 -5.500 1.00 63.13 C ATOM 28 CD PRO A 3 -0.274 -3.562 -4.479 1.00 62.44 C ATOM 29 HA PRO A 3 -2.674 -1.542 -3.591 1.00 72.53 H ATOM 30 HB2 PRO A 3 -3.373 -3.085 -5.799 1.00 13.14 H ATOM 31 HB3 PRO A 3 -2.015 -1.915 -5.842 1.00 25.13 H ATOM 32 HG2 PRO A 3 -1.827 -4.909 -5.198 1.00 23.04 H ATOM 33 HG3 PRO A 3 -0.973 -4.052 -6.526 1.00 11.42 H ATOM 34 HD2 PRO A 3 0.298 -4.446 -4.166 1.00 10.10 H ATOM 35 HD3 PRO A 3 0.403 -2.801 -4.900 1.00 25.33 H ATOM 36 N GLY A 4 -4.822 -3.053 -3.290 1.00 0.12 N ATOM 37 CA GLY A 4 -5.916 -3.774 -2.666 1.00 23.23 C ATOM 38 C GLY A 4 -7.053 -2.860 -2.255 1.00 74.42 C ATOM 39 O GLY A 4 -7.171 -1.741 -2.754 1.00 72.13 O ATOM 40 H GLY A 4 -4.999 -2.217 -3.769 1.00 55.34 H ATOM 41 HA2 GLY A 4 -6.291 -4.509 -3.362 1.00 33.33 H ATOM 42 HA3 GLY A 4 -5.543 -4.282 -1.788 1.00 43.41 H ATOM 43 N PHE A 5 -7.895 -3.338 -1.344 1.00 63.23 N ATOM 44 CA PHE A 5 -9.031 -2.557 -0.869 1.00 21.32 C ATOM 45 C PHE A 5 -9.036 -2.476 0.655 1.00 64.31 C ATOM 46 O PHE A 5 -9.859 -1.778 1.246 1.00 25.24 O ATOM 47 CB PHE A 5 -10.342 -3.173 -1.362 1.00 40.22 C ATOM 48 CG PHE A 5 -11.530 -2.809 -0.518 1.00 22.43 C ATOM 49 CD1 PHE A 5 -12.092 -1.546 -0.597 1.00 53.42 C ATOM 50 CD2 PHE A 5 -12.084 -3.732 0.355 1.00 12.30 C ATOM 51 CE1 PHE A 5 -13.185 -1.209 0.179 1.00 2.53 C ATOM 52 CE2 PHE A 5 -13.177 -3.400 1.134 1.00 71.42 C ATOM 53 CZ PHE A 5 -13.729 -2.137 1.045 1.00 64.40 C ATOM 54 H PHE A 5 -7.748 -4.238 -0.984 1.00 13.04 H ATOM 55 HA PHE A 5 -8.938 -1.560 -1.270 1.00 63.12 H ATOM 56 HB2 PHE A 5 -10.535 -2.833 -2.369 1.00 3.15 H ATOM 57 HB3 PHE A 5 -10.249 -4.248 -1.361 1.00 60.33 H ATOM 58 HD1 PHE A 5 -11.669 -0.818 -1.274 1.00 61.44 H ATOM 59 HD2 PHE A 5 -11.653 -4.721 0.425 1.00 13.31 H ATOM 60 HE1 PHE A 5 -13.614 -0.220 0.108 1.00 74.42 H ATOM 61 HE2 PHE A 5 -13.600 -4.129 1.809 1.00 24.35 H ATOM 62 HZ PHE A 5 -14.582 -1.876 1.653 1.00 61.31 H ATOM 63 N GLN A 6 -8.111 -3.196 1.283 1.00 51.24 N ATOM 64 CA GLN A 6 -8.009 -3.206 2.737 1.00 35.51 C ATOM 65 C GLN A 6 -8.004 -1.786 3.293 1.00 60.22 C ATOM 66 O GLN A 6 -8.981 -1.339 3.895 1.00 22.54 O ATOM 67 CB GLN A 6 -6.743 -3.943 3.176 1.00 64.24 C ATOM 68 CG GLN A 6 -6.880 -5.457 3.152 1.00 13.01 C ATOM 69 CD GLN A 6 -5.561 -6.159 2.895 1.00 14.04 C ATOM 70 OE1 GLN A 6 -5.174 -7.067 3.632 1.00 55.21 O ATOM 71 NE2 GLN A 6 -4.863 -5.742 1.846 1.00 4.42 N ATOM 72 H GLN A 6 -7.483 -3.732 0.756 1.00 74.04 H ATOM 73 HA GLN A 6 -8.871 -3.728 3.126 1.00 61.24 H ATOM 74 HB2 GLN A 6 -5.933 -3.666 2.517 1.00 72.31 H ATOM 75 HB3 GLN A 6 -6.496 -3.642 4.183 1.00 43.21 H ATOM 76 HG2 GLN A 6 -7.265 -5.786 4.106 1.00 12.31 H ATOM 77 HG3 GLN A 6 -7.575 -5.730 2.372 1.00 61.05 H ATOM 78 HE21 GLN A 6 -5.232 -5.012 1.305 1.00 75.42 H ATOM 79 HE22 GLN A 6 -4.006 -6.177 1.657 1.00 33.05 H ATOM 80 N THR A 7 -6.906 -0.993 3.145 1.00 42.40 N ATOM 81 CA THR A 7 -6.899 0.368 3.708 1.00 13.55 C ATOM 82 C THR A 7 -5.790 1.229 3.122 1.00 14.41 C ATOM 83 O THR A 7 -4.816 0.631 2.698 1.00 34.33 O ATOM 84 CB THR A 7 -6.804 0.259 5.263 1.00 42.23 C ATOM 85 OG1 THR A 7 -7.747 1.108 5.942 1.00 73.04 O ATOM 86 CG2 THR A 7 -5.390 0.601 5.797 1.00 14.14 C ATOM 87 H THR A 7 -6.071 -1.318 2.698 1.00 14.30 H ATOM 88 HA THR A 7 -7.853 0.835 3.417 1.00 2.41 H ATOM 89 HB THR A 7 -7.018 -0.778 5.577 1.00 14.51 H ATOM 90 HG1 THR A 7 -8.654 0.912 5.726 1.00 60.05 H ATOM 91 HG21 THR A 7 -5.394 0.470 6.886 1.00 52.32 H ATOM 92 HG22 THR A 7 -5.120 1.647 5.587 1.00 30.32 H ATOM 93 HG23 THR A 7 -4.634 -0.068 5.358 1.00 12.24 H ATOM 94 N PRO A 8 -5.844 2.590 3.058 1.00 51.21 N ATOM 95 CA PRO A 8 -4.777 3.354 2.417 1.00 61.33 C ATOM 96 C PRO A 8 -3.457 3.227 3.144 1.00 64.23 C ATOM 97 O PRO A 8 -3.407 3.636 4.293 1.00 65.04 O ATOM 98 CB PRO A 8 -5.354 4.791 2.489 1.00 1.32 C ATOM 99 CG PRO A 8 -6.335 4.751 3.681 1.00 11.40 C ATOM 100 CD PRO A 8 -6.976 3.349 3.568 1.00 61.12 C ATOM 101 HA PRO A 8 -4.678 3.107 1.355 1.00 64.45 H ATOM 102 HB2 PRO A 8 -4.580 5.566 2.599 1.00 11.43 H ATOM 103 HB3 PRO A 8 -5.937 5.005 1.576 1.00 32.34 H ATOM 104 HG2 PRO A 8 -5.763 4.816 4.622 1.00 32.32 H ATOM 105 HG3 PRO A 8 -7.080 5.565 3.660 1.00 3.52 H ATOM 106 HD2 PRO A 8 -7.339 3.039 4.554 1.00 52.12 H ATOM 107 HD3 PRO A 8 -7.796 3.339 2.833 1.00 5.43 H ATOM 108 N ASP A 9 -2.386 2.683 2.508 1.00 34.10 N ATOM 109 CA ASP A 9 -1.076 2.618 3.163 1.00 51.53 C ATOM 110 C ASP A 9 -0.342 3.921 2.939 1.00 44.32 C ATOM 111 O ASP A 9 0.078 4.545 3.901 1.00 2.12 O ATOM 112 CB ASP A 9 -0.245 1.362 2.765 1.00 34.13 C ATOM 113 CG ASP A 9 0.396 1.252 1.395 1.00 51.42 C ATOM 114 OD1 ASP A 9 0.126 2.064 0.525 1.00 15.43 O ATOM 115 H ASP A 9 -2.448 2.360 1.565 1.00 53.14 H ATOM 116 HA ASP A 9 -1.243 2.519 4.247 1.00 33.31 H ATOM 117 HB2 ASP A 9 0.586 1.282 3.484 1.00 1.25 H ATOM 118 HB3 ASP A 9 -0.908 0.503 2.914 1.00 43.05 H ATOM 119 N ALA A 10 -0.202 4.353 1.666 1.00 4.51 N ATOM 120 CA ALA A 10 0.444 5.630 1.370 1.00 22.43 C ATOM 121 C ALA A 10 0.062 6.057 -0.034 1.00 21.23 C ATOM 122 O ALA A 10 -0.760 6.951 -0.161 1.00 21.44 O ATOM 123 CB ALA A 10 1.979 5.561 1.592 1.00 14.45 C ATOM 124 H ALA A 10 -0.540 3.796 0.908 1.00 23.02 H ATOM 125 HA ALA A 10 0.044 6.396 2.056 1.00 21.53 H ATOM 126 HB1 ALA A 10 2.420 4.697 1.073 1.00 41.40 H ATOM 127 HB2 ALA A 10 2.456 6.484 1.221 1.00 73.34 H ATOM 128 HB3 ALA A 10 2.206 5.458 2.664 1.00 33.04 H ATOM 129 N ARG A 11 0.627 5.429 -1.095 1.00 52.30 N ATOM 130 CA ARG A 11 0.230 5.754 -2.468 1.00 1.23 C ATOM 131 C ARG A 11 -0.842 4.801 -2.968 1.00 75.04 C ATOM 132 O ARG A 11 -1.574 5.186 -3.866 1.00 63.31 O ATOM 133 CB ARG A 11 1.471 5.739 -3.411 1.00 62.30 C ATOM 134 CG ARG A 11 1.381 6.819 -4.527 1.00 12.51 C ATOM 135 CD ARG A 11 2.547 6.711 -5.550 1.00 62.14 C ATOM 136 NE ARG A 11 2.209 5.757 -6.610 1.00 4.52 N ATOM 137 CZ ARG A 11 1.411 6.036 -7.623 1.00 42.41 C ATOM 138 NH1 ARG A 11 0.806 7.194 -7.774 1.00 53.42 N ATOM 139 NH2 ARG A 11 1.204 5.111 -8.533 1.00 14.45 N ATOM 140 H ARG A 11 1.306 4.706 -0.971 1.00 75.43 H ATOM 141 HA ARG A 11 -0.189 6.772 -2.492 1.00 53.13 H ATOM 142 HB2 ARG A 11 2.371 5.964 -2.816 1.00 71.21 H ATOM 143 HB3 ARG A 11 1.600 4.736 -3.848 1.00 23.12 H ATOM 144 HG2 ARG A 11 0.413 6.728 -5.045 1.00 63.42 H ATOM 145 HG3 ARG A 11 1.421 7.813 -4.050 1.00 40.04 H ATOM 146 HD2 ARG A 11 2.819 7.688 -5.979 1.00 43.23 H ATOM 147 HD3 ARG A 11 3.454 6.371 -5.022 1.00 1.33 H ATOM 148 HE ARG A 11 2.649 4.824 -6.557 1.00 30.43 H ATOM 149 HH11 ARG A 11 0.910 7.958 -7.096 1.00 61.51 H ATOM 150 HH12 ARG A 11 0.194 7.369 -8.586 1.00 24.34 H ATOM 151 HH21 ARG A 11 1.651 4.184 -8.465 1.00 32.43 H ATOM 152 HH22 ARG A 11 0.588 5.287 -9.343 1.00 43.50 H ATOM 153 N VAL A 12 -0.955 3.565 -2.416 1.00 1.11 N ATOM 154 CA VAL A 12 -1.968 2.602 -2.858 1.00 65.41 C ATOM 155 C VAL A 12 -2.637 2.040 -1.617 1.00 21.25 C ATOM 156 O VAL A 12 -2.386 2.574 -0.548 1.00 31.23 O ATOM 157 CB VAL A 12 -1.309 1.543 -3.793 1.00 42.15 C ATOM 158 CG1 VAL A 12 -0.676 2.213 -5.043 1.00 64.41 C ATOM 159 CG2 VAL A 12 -0.249 0.705 -3.035 1.00 11.31 C ATOM 160 H VAL A 12 -0.350 3.254 -1.685 1.00 12.41 H ATOM 161 HA VAL A 12 -2.779 3.097 -3.413 1.00 31.21 H ATOM 162 HB VAL A 12 -2.077 0.857 -4.183 1.00 71.24 H ATOM 163 HG11 VAL A 12 -1.435 2.792 -5.591 1.00 64.20 H ATOM 164 HG12 VAL A 12 0.143 2.887 -4.759 1.00 64.10 H ATOM 165 HG13 VAL A 12 -0.270 1.445 -5.722 1.00 53.53 H ATOM 166 HG21 VAL A 12 0.616 1.332 -2.773 1.00 51.44 H ATOM 167 HG22 VAL A 12 -0.671 0.281 -2.111 1.00 63.12 H ATOM 168 HG23 VAL A 12 0.096 -0.123 -3.675 1.00 42.42 H ATOM 169 N ILE A 13 -3.502 1.003 -1.725 1.00 4.33 N ATOM 170 CA ILE A 13 -4.346 0.588 -0.604 1.00 13.42 C ATOM 171 C ILE A 13 -3.926 -0.802 -0.164 1.00 73.13 C ATOM 172 O ILE A 13 -3.952 -1.680 -1.011 1.00 75.52 O ATOM 173 CB ILE A 13 -5.827 0.695 -1.074 1.00 63.40 C ATOM 174 CG1 ILE A 13 -6.141 1.968 -1.929 1.00 1.32 C ATOM 175 CG2 ILE A 13 -6.852 0.542 0.077 1.00 14.12 C ATOM 176 CD1 ILE A 13 -6.448 1.620 -3.413 1.00 33.12 C ATOM 177 H ILE A 13 -3.650 0.531 -2.590 1.00 44.31 H ATOM 178 HA ILE A 13 -4.240 1.267 0.238 1.00 74.44 H ATOM 179 HB ILE A 13 -5.935 -0.182 -1.708 1.00 22.25 H ATOM 180 HG12 ILE A 13 -7.030 2.489 -1.537 1.00 32.52 H ATOM 181 HG13 ILE A 13 -5.313 2.692 -1.886 1.00 22.53 H ATOM 182 HG21 ILE A 13 -6.790 1.403 0.756 1.00 15.04 H ATOM 183 HG22 ILE A 13 -7.880 0.494 -0.316 1.00 3.11 H ATOM 184 HG23 ILE A 13 -6.649 -0.386 0.623 1.00 72.24 H ATOM 185 HD11 ILE A 13 -6.653 2.539 -3.984 1.00 5.13 H ATOM 186 HD12 ILE A 13 -5.600 1.102 -3.886 1.00 51.31 H ATOM 187 HD13 ILE A 13 -7.334 0.968 -3.473 1.00 4.11 H ATOM 188 N SER A 14 -3.519 -1.024 1.114 1.00 42.43 N ATOM 189 CA SER A 14 -2.877 -2.283 1.505 1.00 22.31 C ATOM 190 C SER A 14 -3.351 -2.752 2.864 1.00 23.13 C ATOM 191 O SER A 14 -4.071 -2.017 3.521 1.00 10.33 O ATOM 192 CB SER A 14 -1.352 -1.994 1.587 1.00 64.44 C ATOM 193 OG SER A 14 -0.526 -3.042 1.066 1.00 41.41 O ATOM 194 H SER A 14 -3.535 -0.298 1.804 1.00 1.23 H ATOM 195 HA SER A 14 -3.067 -3.078 0.767 1.00 63.13 H ATOM 196 HB2 SER A 14 -1.137 -1.113 0.963 1.00 65.21 H ATOM 197 HB3 SER A 14 -1.030 -1.775 2.617 1.00 53.41 H ATOM 198 HG SER A 14 -0.555 -3.842 1.575 1.00 61.23 H ATOM 199 N ARG A 15 -2.938 -3.970 3.292 1.00 60.12 N ATOM 200 CA ARG A 15 -3.315 -4.476 4.608 1.00 22.20 C ATOM 201 C ARG A 15 -3.106 -3.439 5.679 1.00 62.21 C ATOM 202 O ARG A 15 -2.135 -2.704 5.600 1.00 72.00 O ATOM 203 CB ARG A 15 -2.681 -5.834 5.037 1.00 41.32 C ATOM 204 CG ARG A 15 -1.193 -5.796 5.493 1.00 52.05 C ATOM 205 CD ARG A 15 -0.177 -5.587 4.335 1.00 43.42 C ATOM 206 NE ARG A 15 -0.354 -6.575 3.261 1.00 72.42 N ATOM 207 CZ ARG A 15 0.055 -7.827 3.313 1.00 50.42 C ATOM 208 NH1 ARG A 15 0.698 -8.344 4.336 1.00 31.05 N ATOM 209 NH2 ARG A 15 -0.192 -8.609 2.284 1.00 74.31 N ATOM 210 H ARG A 15 -2.424 -4.572 2.692 1.00 12.34 H ATOM 211 HA ARG A 15 -4.394 -4.651 4.540 1.00 2.03 H ATOM 212 HB2 ARG A 15 -3.269 -6.205 5.895 1.00 23.21 H ATOM 213 HB3 ARG A 15 -2.784 -6.569 4.224 1.00 72.32 H ATOM 214 HG2 ARG A 15 -1.046 -5.021 6.262 1.00 73.44 H ATOM 215 HG3 ARG A 15 -0.979 -6.764 5.974 1.00 55.25 H ATOM 216 HD2 ARG A 15 -0.347 -4.574 3.941 1.00 14.35 H ATOM 217 HD3 ARG A 15 0.860 -5.579 4.705 1.00 61.31 H ATOM 218 HE ARG A 15 -0.821 -6.248 2.401 1.00 63.02 H ATOM 219 HH11 ARG A 15 0.938 -7.788 5.163 1.00 43.40 H ATOM 220 HH12 ARG A 15 0.991 -9.332 4.331 1.00 50.13 H ATOM 221 HH21 ARG A 15 -0.695 -8.260 1.453 1.00 44.11 H ATOM 222 HH22 ARG A 15 0.107 -9.596 2.279 1.00 35.13 H ATOM 223 N PHE A 16 -4.013 -3.372 6.682 1.00 63.43 N ATOM 224 CA PHE A 16 -3.817 -2.415 7.762 1.00 11.04 C ATOM 225 C PHE A 16 -2.710 -2.955 8.635 1.00 44.34 C ATOM 226 O PHE A 16 -2.635 -4.165 8.789 1.00 3.54 O ATOM 227 CB PHE A 16 -5.093 -2.189 8.619 1.00 52.15 C ATOM 228 CG PHE A 16 -4.856 -1.296 9.854 1.00 73.34 C ATOM 229 CD1 PHE A 16 -4.316 -0.009 9.729 1.00 11.31 C ATOM 230 CD2 PHE A 16 -5.187 -1.759 11.134 1.00 24.51 C ATOM 231 CE1 PHE A 16 -4.139 0.809 10.850 1.00 65.03 C ATOM 232 CE2 PHE A 16 -5.016 -0.945 12.258 1.00 35.34 C ATOM 233 CZ PHE A 16 -4.496 0.345 12.117 1.00 23.42 C ATOM 234 H PHE A 16 -4.799 -3.992 6.730 1.00 61.21 H ATOM 235 HA PHE A 16 -3.533 -1.455 7.304 1.00 51.42 H ATOM 236 HB2 PHE A 16 -5.882 -1.733 8.001 1.00 3.34 H ATOM 237 HB3 PHE A 16 -5.458 -3.177 8.941 1.00 61.02 H ATOM 238 HD1 PHE A 16 -4.022 0.379 8.763 1.00 42.14 H ATOM 239 HD2 PHE A 16 -5.586 -2.759 11.271 1.00 72.13 H ATOM 240 HE1 PHE A 16 -3.724 1.806 10.734 1.00 23.31 H ATOM 241 HE2 PHE A 16 -5.289 -1.312 13.242 1.00 33.32 H ATOM 242 HZ PHE A 16 -4.369 0.982 12.987 1.00 41.21 H ATOM 243 N GLY A 17 -1.849 -2.075 9.202 1.00 75.32 N ATOM 244 CA GLY A 17 -0.744 -2.523 10.045 1.00 52.02 C ATOM 245 C GLY A 17 0.540 -2.056 9.403 1.00 30.42 C ATOM 246 O GLY A 17 0.693 -2.291 8.215 1.00 64.20 O ATOM 247 H GLY A 17 -1.926 -1.088 9.050 1.00 30.03 H ATOM 248 HA2 GLY A 17 -0.888 -2.099 11.051 1.00 43.01 H ATOM 249 HA3 GLY A 17 -0.690 -3.618 10.149 1.00 32.44 H ATOM 250 N PHE A 18 1.459 -1.407 10.160 1.00 4.54 N ATOM 251 CA PHE A 18 2.713 -0.920 9.587 1.00 53.12 C ATOM 252 C PHE A 18 3.837 -1.555 10.368 1.00 23.11 C ATOM 253 O PHE A 18 4.528 -0.861 11.097 1.00 24.01 O ATOM 254 CB PHE A 18 2.739 0.629 9.673 1.00 61.24 C ATOM 255 CG PHE A 18 1.597 1.222 8.837 1.00 34.12 C ATOM 256 CD1 PHE A 18 0.332 1.419 9.402 1.00 3.21 C ATOM 257 CD2 PHE A 18 1.813 1.580 7.501 1.00 50.12 C ATOM 258 CE1 PHE A 18 -0.691 2.008 8.655 1.00 15.12 C ATOM 259 CE2 PHE A 18 0.796 2.186 6.758 1.00 72.52 C ATOM 260 CZ PHE A 18 -0.457 2.405 7.336 1.00 62.55 C ATOM 261 H PHE A 18 1.305 -1.237 11.135 1.00 4.22 H ATOM 262 HA PHE A 18 2.845 -1.203 8.529 1.00 74.31 H ATOM 263 HB2 PHE A 18 2.634 0.952 10.721 1.00 53.41 H ATOM 264 HB3 PHE A 18 3.707 1.006 9.305 1.00 72.32 H ATOM 265 HD1 PHE A 18 0.138 1.115 10.426 1.00 35.24 H ATOM 266 HD2 PHE A 18 2.774 1.389 7.034 1.00 21.10 H ATOM 267 HE1 PHE A 18 -1.669 2.161 9.100 1.00 73.54 H ATOM 268 HE2 PHE A 18 0.983 2.489 5.733 1.00 54.43 H ATOM 269 HZ PHE A 18 -1.246 2.884 6.766 1.00 21.23 H ATOM 270 N ASN A 19 4.022 -2.889 10.227 1.00 21.24 N ATOM 271 CA ASN A 19 5.046 -3.575 11.012 1.00 45.12 C ATOM 272 C ASN A 19 5.618 -4.724 10.219 1.00 4.44 C ATOM 273 O ASN A 19 5.659 -5.870 10.636 1.00 14.45 O ATOM 274 CB ASN A 19 4.401 -4.039 12.345 1.00 55.04 C ATOM 275 CG ASN A 19 5.459 -4.435 13.349 1.00 44.44 C ATOM 276 OD1 ASN A 19 5.718 -5.617 13.509 1.00 41.22 O ATOM 277 ND2 ASN A 19 6.094 -3.457 14.035 1.00 55.32 N ATOM 278 OXT ASN A 19 6.086 -4.412 9.013 1.00 0.00 O ATOM 279 H ASN A 19 3.428 -3.436 9.634 1.00 53.33 H ATOM 280 HA ASN A 19 5.891 -2.900 11.228 1.00 12.12 H ATOM 281 HB2 ASN A 19 3.810 -3.217 12.776 1.00 63.02 H ATOM 282 HB3 ASN A 19 3.708 -4.870 12.142 1.00 23.42 H ATOM 283 HD21 ASN A 19 5.870 -2.491 13.893 1.00 2.14 H ATOM 284 HD22 ASN A 19 6.798 -3.694 14.706 1.00 65.41 H TER 285 ASN A 19 ENDMDL MODEL 12 ATOM 1 N GLY A 1 1.258 -0.150 1.614 1.00 50.31 N ATOM 2 CA GLY A 1 2.151 -0.088 0.451 1.00 42.41 C ATOM 3 C GLY A 1 1.806 -0.958 -0.741 1.00 10.54 C ATOM 4 O GLY A 1 2.246 -0.593 -1.820 1.00 43.45 O ATOM 5 H1 GLY A 1 1.370 -0.922 2.246 1.00 70.23 H ATOM 6 HA2 GLY A 1 2.249 0.954 0.105 1.00 4.22 H ATOM 7 HA3 GLY A 1 3.157 -0.402 0.774 1.00 14.25 H ATOM 8 N THR A 2 1.078 -2.095 -0.609 1.00 52.30 N ATOM 9 CA THR A 2 0.683 -2.894 -1.783 1.00 74.55 C ATOM 10 C THR A 2 -0.713 -2.492 -2.210 1.00 4.41 C ATOM 11 O THR A 2 -1.434 -2.025 -1.344 1.00 72.04 O ATOM 12 CB THR A 2 0.792 -4.429 -1.492 1.00 13.12 C ATOM 13 OG1 THR A 2 1.708 -5.079 -2.393 1.00 11.01 O ATOM 14 CG2 THR A 2 -0.557 -5.198 -1.589 1.00 40.42 C ATOM 15 H THR A 2 0.782 -2.394 0.295 1.00 73.24 H ATOM 16 HA THR A 2 1.368 -2.662 -2.611 1.00 51.33 H ATOM 17 HB THR A 2 1.183 -4.586 -0.473 1.00 31.30 H ATOM 18 HG1 THR A 2 2.595 -4.739 -2.335 1.00 71.23 H ATOM 19 HG21 THR A 2 -0.936 -5.198 -2.618 1.00 4.24 H ATOM 20 HG22 THR A 2 -1.332 -4.776 -0.935 1.00 15.42 H ATOM 21 HG23 THR A 2 -0.410 -6.248 -1.301 1.00 32.11 H ATOM 22 N PRO A 3 -1.164 -2.639 -3.483 1.00 55.33 N ATOM 23 CA PRO A 3 -2.513 -2.213 -3.837 1.00 72.01 C ATOM 24 C PRO A 3 -3.617 -3.117 -3.328 1.00 53.04 C ATOM 25 O PRO A 3 -3.330 -4.208 -2.864 1.00 70.01 O ATOM 26 CB PRO A 3 -2.423 -2.268 -5.381 1.00 4.51 C ATOM 27 CG PRO A 3 -1.398 -3.393 -5.640 1.00 32.14 C ATOM 28 CD PRO A 3 -0.321 -3.133 -4.563 1.00 15.15 C ATOM 29 HA PRO A 3 -2.695 -1.183 -3.499 1.00 41.24 H ATOM 30 HB2 PRO A 3 -3.385 -2.463 -5.875 1.00 42.42 H ATOM 31 HB3 PRO A 3 -2.012 -1.321 -5.767 1.00 24.21 H ATOM 32 HG2 PRO A 3 -1.875 -4.369 -5.449 1.00 24.24 H ATOM 33 HG3 PRO A 3 -0.987 -3.391 -6.662 1.00 1.12 H ATOM 34 HD2 PRO A 3 0.238 -4.051 -4.342 1.00 54.33 H ATOM 35 HD3 PRO A 3 0.371 -2.339 -4.882 1.00 52.10 H ATOM 36 N GLY A 4 -4.889 -2.646 -3.412 1.00 72.14 N ATOM 37 CA GLY A 4 -6.027 -3.387 -2.900 1.00 51.02 C ATOM 38 C GLY A 4 -7.145 -2.479 -2.427 1.00 41.02 C ATOM 39 O GLY A 4 -7.199 -1.306 -2.796 1.00 14.51 O ATOM 40 H GLY A 4 -5.020 -1.754 -3.796 1.00 14.53 H ATOM 41 HA2 GLY A 4 -6.405 -4.030 -3.681 1.00 53.31 H ATOM 42 HA3 GLY A 4 -5.701 -3.998 -2.071 1.00 64.15 H ATOM 43 N PHE A 5 -8.040 -3.022 -1.609 1.00 75.35 N ATOM 44 CA PHE A 5 -9.164 -2.254 -1.087 1.00 55.35 C ATOM 45 C PHE A 5 -9.194 -2.301 0.437 1.00 34.34 C ATOM 46 O PHE A 5 -9.992 -1.613 1.074 1.00 61.41 O ATOM 47 CB PHE A 5 -10.482 -2.790 -1.652 1.00 1.53 C ATOM 48 CG PHE A 5 -11.667 -2.513 -0.772 1.00 14.12 C ATOM 49 CD1 PHE A 5 -12.312 -1.287 -0.820 1.00 64.10 C ATOM 50 CD2 PHE A 5 -12.138 -3.479 0.103 1.00 1.20 C ATOM 51 CE1 PHE A 5 -13.402 -1.030 -0.011 1.00 11.12 C ATOM 52 CE2 PHE A 5 -13.228 -3.227 0.914 1.00 34.54 C ATOM 53 CZ PHE A 5 -13.862 -2.002 0.856 1.00 2.45 C ATOM 54 H PHE A 5 -7.943 -3.963 -1.351 1.00 73.14 H ATOM 55 HA PHE A 5 -9.039 -1.229 -1.401 1.00 65.13 H ATOM 56 HB2 PHE A 5 -10.667 -2.331 -2.611 1.00 55.21 H ATOM 57 HB3 PHE A 5 -10.403 -3.859 -1.778 1.00 3.34 H ATOM 58 HD1 PHE A 5 -11.954 -0.527 -1.498 1.00 50.45 H ATOM 59 HD2 PHE A 5 -11.643 -4.439 0.149 1.00 41.22 H ATOM 60 HE1 PHE A 5 -13.896 -0.071 -0.058 1.00 42.32 H ATOM 61 HE2 PHE A 5 -13.585 -3.990 1.591 1.00 10.43 H ATOM 62 HZ PHE A 5 -14.713 -1.803 1.490 1.00 54.11 H ATOM 63 N GLN A 6 -8.320 -3.119 1.015 1.00 11.22 N ATOM 64 CA GLN A 6 -8.247 -3.257 2.465 1.00 72.41 C ATOM 65 C GLN A 6 -8.214 -1.891 3.141 1.00 10.14 C ATOM 66 O GLN A 6 -9.205 -1.450 3.725 1.00 21.54 O ATOM 67 CB GLN A 6 -7.010 -4.065 2.860 1.00 63.24 C ATOM 68 CG GLN A 6 -7.035 -5.501 2.359 1.00 12.55 C ATOM 69 CD GLN A 6 -5.753 -5.895 1.654 1.00 70.44 C ATOM 70 OE1 GLN A 6 -5.097 -5.066 1.023 1.00 1.33 O ATOM 71 NE2 GLN A 6 -5.389 -7.168 1.756 1.00 64.23 N ATOM 72 H GLN A 6 -7.711 -3.641 0.454 1.00 44.21 H ATOM 73 HA GLN A 6 -9.130 -3.786 2.792 1.00 41.40 H ATOM 74 HB2 GLN A 6 -6.134 -3.581 2.455 1.00 41.25 H ATOM 75 HB3 GLN A 6 -6.935 -4.084 3.937 1.00 52.21 H ATOM 76 HG2 GLN A 6 -7.181 -6.160 3.203 1.00 50.45 H ATOM 77 HG3 GLN A 6 -7.858 -5.613 1.670 1.00 55.14 H ATOM 78 HE21 GLN A 6 -5.961 -7.773 2.273 1.00 33.11 H ATOM 79 HE22 GLN A 6 -4.565 -7.451 1.309 1.00 63.13 H ATOM 80 N THR A 7 -7.086 -1.120 3.127 1.00 14.04 N ATOM 81 CA THR A 7 -7.045 0.164 3.852 1.00 73.33 C ATOM 82 C THR A 7 -5.868 1.017 3.394 1.00 63.22 C ATOM 83 O THR A 7 -4.916 0.406 2.938 1.00 4.14 O ATOM 84 CB THR A 7 -7.001 -0.134 5.387 1.00 73.24 C ATOM 85 OG1 THR A 7 -7.870 0.722 6.151 1.00 11.22 O ATOM 86 CG2 THR A 7 -5.576 -0.006 5.985 1.00 21.15 C ATOM 87 H THR A 7 -6.246 -1.389 2.662 1.00 43.44 H ATOM 88 HA THR A 7 -7.965 0.706 3.582 1.00 3.23 H ATOM 89 HB THR A 7 -7.333 -1.170 5.574 1.00 25.02 H ATOM 90 HG1 THR A 7 -8.785 0.653 5.896 1.00 50.43 H ATOM 91 HG21 THR A 7 -5.202 1.027 5.906 1.00 12.02 H ATOM 92 HG22 THR A 7 -4.874 -0.682 5.475 1.00 35.51 H ATOM 93 HG23 THR A 7 -5.602 -0.268 7.051 1.00 43.54 H ATOM 94 N PRO A 8 -5.843 2.376 3.476 1.00 70.23 N ATOM 95 CA PRO A 8 -4.718 3.138 2.934 1.00 61.24 C ATOM 96 C PRO A 8 -3.424 2.874 3.675 1.00 21.55 C ATOM 97 O PRO A 8 -3.347 3.266 4.828 1.00 71.00 O ATOM 98 CB PRO A 8 -5.228 4.589 3.141 1.00 21.30 C ATOM 99 CG PRO A 8 -6.214 4.480 4.324 1.00 33.41 C ATOM 100 CD PRO A 8 -6.938 3.142 4.053 1.00 34.43 C ATOM 101 HA PRO A 8 -4.600 2.989 1.854 1.00 41.02 H ATOM 102 HB2 PRO A 8 -4.417 5.315 3.317 1.00 1.35 H ATOM 103 HB3 PRO A 8 -5.803 4.917 2.257 1.00 63.52 H ATOM 104 HG2 PRO A 8 -5.645 4.409 5.266 1.00 52.13 H ATOM 105 HG3 PRO A 8 -6.907 5.335 4.393 1.00 40.14 H ATOM 106 HD2 PRO A 8 -7.344 2.742 4.990 1.00 25.23 H ATOM 107 HD3 PRO A 8 -7.742 3.265 3.310 1.00 23.41 H ATOM 108 N ASP A 9 -2.395 2.239 3.052 1.00 64.12 N ATOM 109 CA ASP A 9 -1.109 2.079 3.733 1.00 14.01 C ATOM 110 C ASP A 9 -0.346 3.383 3.638 1.00 0.33 C ATOM 111 O ASP A 9 0.100 3.875 4.662 1.00 14.12 O ATOM 112 CB ASP A 9 -0.289 0.844 3.255 1.00 14.44 C ATOM 113 CG ASP A 9 0.388 0.855 1.898 1.00 34.34 C ATOM 114 OD1 ASP A 9 0.135 1.797 1.102 1.00 72.33 O ATOM 115 H ASP A 9 -2.460 1.920 2.106 1.00 52.31 H ATOM 116 HA ASP A 9 -1.316 1.884 4.802 1.00 31.05 H ATOM 117 HB2 ASP A 9 0.520 0.681 3.986 1.00 35.42 H ATOM 118 HB3 ASP A 9 -0.969 -0.015 3.310 1.00 35.33 H ATOM 119 N ALA A 10 -0.207 3.967 2.424 1.00 40.41 N ATOM 120 CA ALA A 10 0.473 5.255 2.283 1.00 62.33 C ATOM 121 C ALA A 10 0.200 5.833 0.904 1.00 14.54 C ATOM 122 O ALA A 10 -0.610 6.743 0.812 1.00 33.45 O ATOM 123 CB ALA A 10 1.990 5.132 2.589 1.00 50.43 C ATOM 124 H ALA A 10 -0.571 3.527 1.601 1.00 45.30 H ATOM 125 HA ALA A 10 0.046 5.959 3.019 1.00 4.31 H ATOM 126 HB1 ALA A 10 2.161 4.959 3.662 1.00 53.03 H ATOM 127 HB2 ALA A 10 2.439 4.290 2.043 1.00 54.42 H ATOM 128 HB3 ALA A 10 2.508 6.061 2.305 1.00 62.24 H ATOM 129 N ARG A 11 0.845 5.321 -0.173 1.00 35.44 N ATOM 130 CA ARG A 11 0.562 5.792 -1.534 1.00 44.02 C ATOM 131 C ARG A 11 -0.514 4.926 -2.164 1.00 71.13 C ATOM 132 O ARG A 11 -1.194 5.420 -3.048 1.00 53.25 O ATOM 133 CB ARG A 11 1.905 5.816 -2.329 1.00 5.50 C ATOM 134 CG ARG A 11 2.024 6.866 -3.483 1.00 50.53 C ATOM 135 CD ARG A 11 1.774 6.321 -4.920 1.00 13.42 C ATOM 136 NE ARG A 11 0.372 6.061 -5.240 1.00 31.34 N ATOM 137 CZ ARG A 11 -0.034 5.647 -6.423 1.00 63.12 C ATOM 138 NH1 ARG A 11 0.789 5.419 -7.423 1.00 4.12 N ATOM 139 NH2 ARG A 11 -1.319 5.454 -6.620 1.00 32.21 N ATOM 140 H ARG A 11 1.487 4.560 -0.071 1.00 4.43 H ATOM 141 HA ARG A 11 0.186 6.824 -1.488 1.00 30.43 H ATOM 142 HB2 ARG A 11 2.671 6.100 -1.586 1.00 61.02 H ATOM 143 HB3 ARG A 11 2.155 4.801 -2.675 1.00 73.44 H ATOM 144 HG2 ARG A 11 1.387 7.745 -3.300 1.00 71.14 H ATOM 145 HG3 ARG A 11 3.068 7.230 -3.492 1.00 15.20 H ATOM 146 HD2 ARG A 11 2.125 7.100 -5.620 1.00 12.05 H ATOM 147 HD3 ARG A 11 2.378 5.410 -5.057 1.00 64.33 H ATOM 148 HE ARG A 11 -0.322 6.234 -4.499 1.00 62.51 H ATOM 149 HH11 ARG A 11 1.804 5.551 -7.333 1.00 21.14 H ATOM 150 HH12 ARG A 11 0.434 5.099 -8.337 1.00 14.33 H ATOM 151 HH21 ARG A 11 -2.005 5.621 -5.868 1.00 62.11 H ATOM 152 HH22 ARG A 11 -1.675 5.130 -7.532 1.00 51.32 H ATOM 153 N VAL A 12 -0.703 3.652 -1.732 1.00 75.44 N ATOM 154 CA VAL A 12 -1.735 2.784 -2.300 1.00 3.13 C ATOM 155 C VAL A 12 -2.461 2.109 -1.150 1.00 73.23 C ATOM 156 O VAL A 12 -2.208 2.490 -0.018 1.00 33.15 O ATOM 157 CB VAL A 12 -1.079 1.820 -3.334 1.00 60.03 C ATOM 158 CG1 VAL A 12 -0.399 2.609 -4.488 1.00 35.24 C ATOM 159 CG2 VAL A 12 -0.057 0.878 -2.649 1.00 50.21 C ATOM 160 H VAL A 12 -0.145 3.246 -1.012 1.00 13.00 H ATOM 161 HA VAL A 12 -2.517 3.369 -2.812 1.00 11.31 H ATOM 162 HB VAL A 12 -1.856 1.201 -3.811 1.00 63.22 H ATOM 163 HG11 VAL A 12 0.013 1.913 -5.235 1.00 53.33 H ATOM 164 HG12 VAL A 12 -1.136 3.255 -4.989 1.00 63.23 H ATOM 165 HG13 VAL A 12 0.422 3.237 -4.114 1.00 10.40 H ATOM 166 HG21 VAL A 12 0.816 1.451 -2.306 1.00 25.51 H ATOM 167 HG22 VAL A 12 -0.508 0.372 -1.782 1.00 24.41 H ATOM 168 HG23 VAL A 12 0.284 0.112 -3.363 1.00 24.42 H ATOM 169 N ILE A 13 -3.378 1.143 -1.405 1.00 54.33 N ATOM 170 CA ILE A 13 -4.279 0.642 -0.364 1.00 64.24 C ATOM 171 C ILE A 13 -3.937 -0.802 -0.050 1.00 51.44 C ATOM 172 O ILE A 13 -3.974 -1.591 -0.980 1.00 41.34 O ATOM 173 CB ILE A 13 -5.730 0.842 -0.893 1.00 12.12 C ATOM 174 CG1 ILE A 13 -5.978 2.238 -1.557 1.00 65.20 C ATOM 175 CG2 ILE A 13 -6.821 0.526 0.162 1.00 32.10 C ATOM 176 CD1 ILE A 13 -6.296 2.115 -3.074 1.00 30.03 C ATOM 177 H ILE A 13 -3.530 0.804 -2.330 1.00 22.22 H ATOM 178 HA ILE A 13 -4.191 1.230 0.548 1.00 74.11 H ATOM 179 HB ILE A 13 -5.804 0.079 -1.669 1.00 2.14 H ATOM 180 HG12 ILE A 13 -6.834 2.748 -1.085 1.00 3.42 H ATOM 181 HG13 ILE A 13 -5.111 2.904 -1.424 1.00 33.20 H ATOM 182 HG21 ILE A 13 -6.688 -0.494 0.547 1.00 72.43 H ATOM 183 HG22 ILE A 13 -6.762 1.250 0.985 1.00 30.43 H ATOM 184 HG23 ILE A 13 -7.825 0.597 -0.283 1.00 32.45 H ATOM 185 HD11 ILE A 13 -6.465 3.109 -3.516 1.00 55.44 H ATOM 186 HD12 ILE A 13 -5.464 1.635 -3.614 1.00 0.10 H ATOM 187 HD13 ILE A 13 -7.204 1.510 -3.223 1.00 0.22 H ATOM 188 N SER A 14 -3.584 -1.176 1.210 1.00 4.24 N ATOM 189 CA SER A 14 -3.015 -2.502 1.484 1.00 3.45 C ATOM 190 C SER A 14 -3.536 -3.083 2.780 1.00 74.45 C ATOM 191 O SER A 14 -4.134 -2.334 3.536 1.00 53.22 O ATOM 192 CB SER A 14 -1.481 -2.317 1.645 1.00 41.15 C ATOM 193 OG SER A 14 -0.712 -3.369 1.047 1.00 14.51 O ATOM 194 H SER A 14 -3.598 -0.528 1.973 1.00 24.22 H ATOM 195 HA SER A 14 -3.222 -3.206 0.662 1.00 74.15 H ATOM 196 HB2 SER A 14 -1.188 -1.387 1.134 1.00 35.24 H ATOM 197 HB3 SER A 14 -1.188 -2.230 2.703 1.00 72.15 H ATOM 198 HG SER A 14 -0.856 -4.215 1.453 1.00 5.33 H ATOM 199 N ARG A 15 -3.311 -4.392 3.062 1.00 71.32 N ATOM 200 CA ARG A 15 -3.762 -4.957 4.334 1.00 22.34 C ATOM 201 C ARG A 15 -3.384 -4.082 5.505 1.00 62.52 C ATOM 202 O ARG A 15 -2.319 -3.486 5.474 1.00 71.22 O ATOM 203 CB ARG A 15 -3.404 -6.441 4.635 1.00 4.52 C ATOM 204 CG ARG A 15 -1.913 -6.745 4.969 1.00 20.13 C ATOM 205 CD ARG A 15 -0.906 -6.583 3.795 1.00 32.20 C ATOM 206 NE ARG A 15 -1.187 -7.469 2.659 1.00 64.00 N ATOM 207 CZ ARG A 15 -0.433 -7.547 1.583 1.00 14.33 C ATOM 208 NH1 ARG A 15 0.650 -6.820 1.418 1.00 31.11 N ATOM 209 NH2 ARG A 15 -0.770 -8.392 0.634 1.00 35.10 N ATOM 210 H ARG A 15 -2.906 -5.006 2.385 1.00 63.33 H ATOM 211 HA ARG A 15 -4.855 -4.952 4.257 1.00 12.13 H ATOM 212 HB2 ARG A 15 -3.988 -6.744 5.522 1.00 72.30 H ATOM 213 HB3 ARG A 15 -3.754 -7.065 3.802 1.00 21.42 H ATOM 214 HG2 ARG A 15 -1.595 -6.108 5.811 1.00 54.43 H ATOM 215 HG3 ARG A 15 -1.844 -7.793 5.308 1.00 22.32 H ATOM 216 HD2 ARG A 15 -0.890 -5.525 3.500 1.00 65.11 H ATOM 217 HD3 ARG A 15 0.089 -6.845 4.190 1.00 11.11 H ATOM 218 HE ARG A 15 -2.008 -8.087 2.730 1.00 32.14 H ATOM 219 HH11 ARG A 15 0.958 -6.140 2.123 1.00 52.32 H ATOM 220 HH12 ARG A 15 1.227 -6.921 0.570 1.00 11.31 H ATOM 221 HH21 ARG A 15 -1.614 -8.979 0.716 1.00 62.14 H ATOM 222 HH22 ARG A 15 -0.199 -8.493 -0.219 1.00 33.04 H ATOM 223 N PHE A 16 -4.252 -3.996 6.542 1.00 42.34 N ATOM 224 CA PHE A 16 -3.929 -3.166 7.699 1.00 34.34 C ATOM 225 C PHE A 16 -2.763 -3.794 8.424 1.00 31.34 C ATOM 226 O PHE A 16 -2.711 -5.012 8.487 1.00 54.23 O ATOM 227 CB PHE A 16 -5.139 -3.038 8.666 1.00 1.45 C ATOM 228 CG PHE A 16 -4.794 -2.303 9.973 1.00 71.41 C ATOM 229 CD1 PHE A 16 -4.286 -0.999 9.948 1.00 51.22 C ATOM 230 CD2 PHE A 16 -4.993 -2.928 11.210 1.00 23.43 C ATOM 231 CE1 PHE A 16 -3.976 -0.332 11.138 1.00 74.22 C ATOM 232 CE2 PHE A 16 -4.703 -2.258 12.403 1.00 63.33 C ATOM 233 CZ PHE A 16 -4.191 -0.959 12.367 1.00 12.51 C ATOM 234 H PHE A 16 -5.114 -4.507 6.542 1.00 1.52 H ATOM 235 HA PHE A 16 -3.656 -2.165 7.329 1.00 32.34 H ATOM 236 HB2 PHE A 16 -5.959 -2.500 8.166 1.00 63.24 H ATOM 237 HB3 PHE A 16 -5.499 -4.053 8.894 1.00 12.51 H ATOM 238 HD1 PHE A 16 -4.127 -0.488 9.007 1.00 12.34 H ATOM 239 HD2 PHE A 16 -5.380 -3.941 11.260 1.00 23.42 H ATOM 240 HE1 PHE A 16 -3.569 0.674 11.106 1.00 33.22 H ATOM 241 HE2 PHE A 16 -4.876 -2.747 13.356 1.00 53.41 H ATOM 242 HZ PHE A 16 -3.961 -0.438 13.292 1.00 63.02 H ATOM 243 N GLY A 17 -1.816 -2.993 8.965 1.00 40.41 N ATOM 244 CA GLY A 17 -0.667 -3.585 9.642 1.00 52.35 C ATOM 245 C GLY A 17 0.261 -2.501 10.138 1.00 1.40 C ATOM 246 O GLY A 17 -0.175 -1.737 10.986 1.00 44.22 O ATOM 247 H GLY A 17 -1.875 -1.994 8.905 1.00 23.22 H ATOM 248 HA2 GLY A 17 -1.014 -4.167 10.511 1.00 74.35 H ATOM 249 HA3 GLY A 17 -0.151 -4.272 8.953 1.00 0.30 H ATOM 250 N PHE A 18 1.518 -2.399 9.639 1.00 73.31 N ATOM 251 CA PHE A 18 2.426 -1.371 10.147 1.00 62.50 C ATOM 252 C PHE A 18 3.510 -1.092 9.127 1.00 33.31 C ATOM 253 O PHE A 18 4.661 -1.425 9.363 1.00 2.40 O ATOM 254 CB PHE A 18 2.992 -1.856 11.509 1.00 72.22 C ATOM 255 CG PHE A 18 3.810 -0.747 12.186 1.00 11.21 C ATOM 256 CD1 PHE A 18 3.152 0.368 12.717 1.00 53.55 C ATOM 257 CD2 PHE A 18 5.203 -0.832 12.289 1.00 21.41 C ATOM 258 CE1 PHE A 18 3.875 1.394 13.332 1.00 5.31 C ATOM 259 CE2 PHE A 18 5.929 0.188 12.912 1.00 21.01 C ATOM 260 CZ PHE A 18 5.266 1.303 13.432 1.00 63.31 C ATOM 261 H PHE A 18 1.865 -3.042 8.954 1.00 23.11 H ATOM 262 HA PHE A 18 1.877 -0.427 10.295 1.00 23.44 H ATOM 263 HB2 PHE A 18 2.167 -2.123 12.187 1.00 73.03 H ATOM 264 HB3 PHE A 18 3.592 -2.766 11.353 1.00 13.11 H ATOM 265 HD1 PHE A 18 2.071 0.443 12.656 1.00 43.51 H ATOM 266 HD2 PHE A 18 5.732 -1.690 11.887 1.00 13.31 H ATOM 267 HE1 PHE A 18 3.357 2.260 13.731 1.00 14.21 H ATOM 268 HE2 PHE A 18 7.009 0.115 12.994 1.00 25.21 H ATOM 269 HZ PHE A 18 5.829 2.097 13.913 1.00 72.11 H ATOM 270 N ASN A 19 3.153 -0.477 7.974 1.00 23.10 N ATOM 271 CA ASN A 19 4.162 -0.194 6.953 1.00 15.34 C ATOM 272 C ASN A 19 5.159 0.807 7.481 1.00 20.43 C ATOM 273 O ASN A 19 5.013 1.379 8.550 1.00 72.33 O ATOM 274 CB ASN A 19 3.520 0.330 5.639 1.00 1.32 C ATOM 275 CG ASN A 19 2.884 1.684 5.855 1.00 31.42 C ATOM 276 OD1 ASN A 19 1.697 1.741 6.135 1.00 73.14 O ATOM 277 ND2 ASN A 19 3.647 2.794 5.740 1.00 63.45 N ATOM 278 OXT ASN A 19 6.219 1.043 6.711 1.00 0.00 O ATOM 279 H ASN A 19 2.201 -0.207 7.807 1.00 4.50 H ATOM 280 HA ASN A 19 4.694 -1.131 6.718 1.00 12.34 H ATOM 281 HB2 ASN A 19 4.288 0.400 4.852 1.00 64.20 H ATOM 282 HB3 ASN A 19 2.758 -0.387 5.292 1.00 30.43 H ATOM 283 HD21 ASN A 19 4.619 2.739 5.509 1.00 2.24 H ATOM 284 HD22 ASN A 19 3.237 3.695 5.887 1.00 15.54 H TER 285 ASN A 19 ENDMDL MODEL 13 ATOM 1 N GLY A 1 1.112 -0.272 1.199 1.00 34.10 N ATOM 2 CA GLY A 1 2.032 -0.204 0.056 1.00 22.02 C ATOM 3 C GLY A 1 1.710 -1.071 -1.144 1.00 13.12 C ATOM 4 O GLY A 1 2.196 -0.730 -2.211 1.00 53.11 O ATOM 5 H1 GLY A 1 1.205 -1.051 1.825 1.00 51.12 H ATOM 6 HA2 GLY A 1 2.141 0.838 -0.288 1.00 33.25 H ATOM 7 HA3 GLY A 1 3.029 -0.522 0.400 1.00 61.13 H ATOM 8 N THR A 2 0.943 -2.181 -1.021 1.00 65.31 N ATOM 9 CA THR A 2 0.569 -2.996 -2.187 1.00 43.25 C ATOM 10 C THR A 2 -0.894 -2.726 -2.492 1.00 75.03 C ATOM 11 O THR A 2 -1.574 -2.286 -1.582 1.00 11.00 O ATOM 12 CB THR A 2 0.852 -4.508 -1.909 1.00 73.43 C ATOM 13 OG1 THR A 2 0.995 -4.784 -0.504 1.00 42.10 O ATOM 14 CG2 THR A 2 2.113 -5.032 -2.653 1.00 63.22 C ATOM 15 H THR A 2 0.593 -2.460 -0.130 1.00 24.03 H ATOM 16 HA THR A 2 1.135 -2.689 -3.075 1.00 5.25 H ATOM 17 HB THR A 2 -0.019 -5.102 -2.234 1.00 31.14 H ATOM 18 HG1 THR A 2 1.806 -4.448 -0.135 1.00 64.35 H ATOM 19 HG21 THR A 2 2.277 -6.093 -2.404 1.00 73.50 H ATOM 20 HG22 THR A 2 2.997 -4.456 -2.340 1.00 20.35 H ATOM 21 HG23 THR A 2 2.006 -4.945 -3.744 1.00 2.21 H ATOM 22 N PRO A 3 -1.457 -2.933 -3.716 1.00 64.55 N ATOM 23 CA PRO A 3 -2.823 -2.492 -3.981 1.00 32.13 C ATOM 24 C PRO A 3 -3.876 -3.397 -3.383 1.00 51.33 C ATOM 25 O PRO A 3 -3.538 -4.481 -2.937 1.00 54.12 O ATOM 26 CB PRO A 3 -2.829 -2.553 -5.527 1.00 15.32 C ATOM 27 CG PRO A 3 -1.864 -3.718 -5.841 1.00 0.21 C ATOM 28 CD PRO A 3 -0.715 -3.506 -4.830 1.00 23.55 C ATOM 29 HA PRO A 3 -2.978 -1.462 -3.635 1.00 43.50 H ATOM 30 HB2 PRO A 3 -3.834 -2.705 -5.950 1.00 50.55 H ATOM 31 HB3 PRO A 3 -2.405 -1.619 -5.934 1.00 72.45 H ATOM 32 HG2 PRO A 3 -2.378 -4.670 -5.625 1.00 3.42 H ATOM 33 HG3 PRO A 3 -1.524 -3.726 -6.889 1.00 51.44 H ATOM 34 HD2 PRO A 3 -0.234 -4.465 -4.604 1.00 61.30 H ATOM 35 HD3 PRO A 3 0.020 -2.782 -5.216 1.00 31.43 H ATOM 36 N GLY A 4 -5.156 -2.936 -3.364 1.00 12.54 N ATOM 37 CA GLY A 4 -6.221 -3.710 -2.752 1.00 43.42 C ATOM 38 C GLY A 4 -7.377 -2.844 -2.292 1.00 44.52 C ATOM 39 O GLY A 4 -7.514 -1.699 -2.724 1.00 14.21 O ATOM 40 H GLY A 4 -5.351 -2.053 -3.743 1.00 45.10 H ATOM 41 HA2 GLY A 4 -6.586 -4.428 -3.470 1.00 74.42 H ATOM 42 HA3 GLY A 4 -5.821 -4.239 -1.900 1.00 12.25 H ATOM 43 N PHE A 5 -8.211 -3.391 -1.415 1.00 11.34 N ATOM 44 CA PHE A 5 -9.363 -2.661 -0.898 1.00 31.24 C ATOM 45 C PHE A 5 -9.345 -2.626 0.628 1.00 43.12 C ATOM 46 O PHE A 5 -10.146 -1.931 1.252 1.00 44.51 O ATOM 47 CB PHE A 5 -10.662 -3.303 -1.388 1.00 73.34 C ATOM 48 CG PHE A 5 -11.834 -3.054 -0.482 1.00 22.41 C ATOM 49 CD1 PHE A 5 -12.542 -1.866 -0.554 1.00 52.21 C ATOM 50 CD2 PHE A 5 -12.227 -4.009 0.442 1.00 62.20 C ATOM 51 CE1 PHE A 5 -13.620 -1.634 0.279 1.00 20.14 C ATOM 52 CE2 PHE A 5 -13.304 -3.783 1.278 1.00 71.20 C ATOM 53 CZ PHE A 5 -14.002 -2.594 1.196 1.00 72.43 C ATOM 54 H PHE A 5 -8.049 -4.308 -1.108 1.00 5.42 H ATOM 55 HA PHE A 5 -9.308 -1.650 -1.270 1.00 13.11 H ATOM 56 HB2 PHE A 5 -10.907 -2.906 -2.362 1.00 4.30 H ATOM 57 HB3 PHE A 5 -10.521 -4.371 -1.465 1.00 51.20 H ATOM 58 HD1 PHE A 5 -12.245 -1.114 -1.271 1.00 34.31 H ATOM 59 HD2 PHE A 5 -11.681 -4.940 0.507 1.00 72.21 H ATOM 60 HE1 PHE A 5 -14.164 -0.704 0.213 1.00 53.10 H ATOM 61 HE2 PHE A 5 -13.600 -4.536 1.993 1.00 31.41 H ATOM 62 HZ PHE A 5 -14.844 -2.416 1.848 1.00 4.53 H ATOM 63 N GLN A 6 -8.425 -3.381 1.220 1.00 33.21 N ATOM 64 CA GLN A 6 -8.303 -3.437 2.672 1.00 73.40 C ATOM 65 C GLN A 6 -8.266 -2.035 3.270 1.00 53.21 C ATOM 66 O GLN A 6 -9.231 -1.587 3.891 1.00 42.10 O ATOM 67 CB GLN A 6 -7.043 -4.207 3.070 1.00 62.55 C ATOM 68 CG GLN A 6 -7.264 -5.705 3.210 1.00 43.04 C ATOM 69 CD GLN A 6 -5.966 -6.488 3.213 1.00 22.44 C ATOM 70 OE1 GLN A 6 -5.719 -7.299 4.107 1.00 73.22 O ATOM 71 NE2 GLN A 6 -5.127 -6.250 2.212 1.00 73.23 N ATOM 72 H GLN A 6 -7.816 -3.913 0.668 1.00 4.02 H ATOM 73 HA GLN A 6 -9.168 -3.957 3.057 1.00 3.42 H ATOM 74 HB2 GLN A 6 -6.284 -4.046 2.318 1.00 14.32 H ATOM 75 HB3 GLN A 6 -6.687 -3.828 4.016 1.00 33.22 H ATOM 76 HG2 GLN A 6 -7.783 -5.894 4.138 1.00 63.35 H ATOM 77 HG3 GLN A 6 -7.870 -6.045 2.383 1.00 13.03 H ATOM 78 HE21 GLN A 6 -5.390 -5.590 1.536 1.00 3.42 H ATOM 79 HE22 GLN A 6 -4.281 -6.742 2.190 1.00 41.23 H ATOM 80 N THR A 7 -7.141 -1.274 3.160 1.00 11.30 N ATOM 81 CA THR A 7 -7.071 0.037 3.828 1.00 55.35 C ATOM 82 C THR A 7 -5.937 0.893 3.282 1.00 33.14 C ATOM 83 O THR A 7 -4.996 0.284 2.806 1.00 55.25 O ATOM 84 CB THR A 7 -6.944 -0.186 5.373 1.00 42.54 C ATOM 85 OG1 THR A 7 -7.858 0.641 6.117 1.00 24.42 O ATOM 86 CG2 THR A 7 -5.520 0.087 5.923 1.00 32.10 C ATOM 87 H THR A 7 -6.316 -1.611 2.706 1.00 44.12 H ATOM 88 HA THR A 7 -8.007 0.562 3.583 1.00 20.44 H ATOM 89 HB THR A 7 -7.176 -1.239 5.618 1.00 0.12 H ATOM 90 HG1 THR A 7 -8.769 0.468 5.904 1.00 4.33 H ATOM 91 HG21 THR A 7 -4.780 -0.549 5.414 1.00 33.10 H ATOM 92 HG22 THR A 7 -5.493 -0.138 7.000 1.00 24.00 H ATOM 93 HG23 THR A 7 -5.245 1.145 5.792 1.00 74.04 H ATOM 94 N PRO A 8 -5.940 2.254 3.306 1.00 14.44 N ATOM 95 CA PRO A 8 -4.847 3.014 2.698 1.00 72.25 C ATOM 96 C PRO A 8 -3.529 2.769 3.397 1.00 31.20 C ATOM 97 O PRO A 8 -3.433 3.120 4.563 1.00 42.44 O ATOM 98 CB PRO A 8 -5.360 4.466 2.880 1.00 4.54 C ATOM 99 CG PRO A 8 -6.331 4.387 4.079 1.00 34.30 C ATOM 100 CD PRO A 8 -7.032 3.024 3.882 1.00 61.52 C ATOM 101 HA PRO A 8 -4.770 2.835 1.620 1.00 14.41 H ATOM 102 HB2 PRO A 8 -4.550 5.196 3.035 1.00 21.23 H ATOM 103 HB3 PRO A 8 -5.944 4.771 1.994 1.00 73.41 H ATOM 104 HG2 PRO A 8 -5.745 4.365 5.013 1.00 42.12 H ATOM 105 HG3 PRO A 8 -7.040 5.230 4.123 1.00 44.23 H ATOM 106 HD2 PRO A 8 -7.398 2.666 4.851 1.00 3.32 H ATOM 107 HD3 PRO A 8 -7.860 3.092 3.158 1.00 34.34 H ATOM 108 N ASP A 9 -2.506 2.184 2.717 1.00 73.04 N ATOM 109 CA ASP A 9 -1.206 1.977 3.354 1.00 53.40 C ATOM 110 C ASP A 9 -0.409 3.260 3.256 1.00 23.22 C ATOM 111 O ASP A 9 0.032 3.769 4.274 1.00 62.45 O ATOM 112 CB ASP A 9 -0.444 0.721 2.829 1.00 31.41 C ATOM 113 CG ASP A 9 0.245 0.739 1.475 1.00 31.42 C ATOM 114 OD1 ASP A 9 0.036 1.649 0.690 1.00 74.13 O ATOM 115 H ASP A 9 -2.596 1.921 1.757 1.00 4.11 H ATOM 116 HA ASP A 9 -1.387 1.777 4.425 1.00 61.21 H ATOM 117 HB2 ASP A 9 0.348 0.501 3.563 1.00 32.41 H ATOM 118 HB3 ASP A 9 -1.158 -0.110 2.836 1.00 22.52 H ATOM 119 N ALA A 10 -0.244 3.808 2.030 1.00 43.12 N ATOM 120 CA ALA A 10 0.464 5.075 1.858 1.00 51.22 C ATOM 121 C ALA A 10 0.165 5.614 0.472 1.00 24.34 C ATOM 122 O ALA A 10 -0.652 6.517 0.371 1.00 5.24 O ATOM 123 CB ALA A 10 1.982 4.918 2.141 1.00 64.25 C ATOM 124 H ALA A 10 -0.611 3.355 1.216 1.00 60.21 H ATOM 125 HA ALA A 10 0.067 5.806 2.585 1.00 51.34 H ATOM 126 HB1 ALA A 10 2.400 4.058 1.598 1.00 33.35 H ATOM 127 HB2 ALA A 10 2.519 5.831 1.837 1.00 43.40 H ATOM 128 HB3 ALA A 10 2.162 4.753 3.214 1.00 35.23 H ATOM 129 N ARG A 11 0.782 5.075 -0.608 1.00 33.15 N ATOM 130 CA ARG A 11 0.414 5.498 -1.960 1.00 31.15 C ATOM 131 C ARG A 11 -0.797 4.708 -2.427 1.00 43.40 C ATOM 132 O ARG A 11 -1.622 5.277 -3.125 1.00 44.31 O ATOM 133 CB ARG A 11 1.591 5.286 -2.958 1.00 24.14 C ATOM 134 CG ARG A 11 1.379 6.086 -4.280 1.00 30.22 C ATOM 135 CD ARG A 11 2.343 5.673 -5.437 1.00 1.34 C ATOM 136 NE ARG A 11 3.221 6.761 -5.891 1.00 14.54 N ATOM 137 CZ ARG A 11 2.802 7.825 -6.546 1.00 14.41 C ATOM 138 NH1 ARG A 11 1.537 8.044 -6.830 1.00 40.40 N ATOM 139 NH2 ARG A 11 3.686 8.715 -6.940 1.00 71.12 N ATOM 140 H ARG A 11 1.452 4.337 -0.515 1.00 41.41 H ATOM 141 HA ARG A 11 0.180 6.575 -1.955 1.00 60.33 H ATOM 142 HB2 ARG A 11 2.535 5.627 -2.499 1.00 44.21 H ATOM 143 HB3 ARG A 11 1.683 4.206 -3.157 1.00 24.12 H ATOM 144 HG2 ARG A 11 0.342 5.936 -4.620 1.00 33.43 H ATOM 145 HG3 ARG A 11 1.508 7.160 -4.061 1.00 32.01 H ATOM 146 HD2 ARG A 11 2.982 4.840 -5.097 1.00 51.33 H ATOM 147 HD3 ARG A 11 1.785 5.278 -6.305 1.00 32.41 H ATOM 148 HE ARG A 11 4.233 6.659 -5.700 1.00 63.02 H ATOM 149 HH11 ARG A 11 0.800 7.386 -6.554 1.00 51.01 H ATOM 150 HH12 ARG A 11 1.248 8.892 -7.342 1.00 40.54 H ATOM 151 HH21 ARG A 11 4.692 8.589 -6.750 1.00 0.24 H ATOM 152 HH22 ARG A 11 3.401 9.561 -7.457 1.00 41.43 H ATOM 153 N VAL A 12 -0.911 3.403 -2.065 1.00 1.12 N ATOM 154 CA VAL A 12 -1.985 2.545 -2.572 1.00 73.32 C ATOM 155 C VAL A 12 -2.711 1.929 -1.389 1.00 53.41 C ATOM 156 O VAL A 12 -2.499 2.409 -0.287 1.00 40.31 O ATOM 157 CB VAL A 12 -1.382 1.545 -3.608 1.00 61.21 C ATOM 158 CG1 VAL A 12 -0.763 2.295 -4.819 1.00 12.21 C ATOM 159 CG2 VAL A 12 -0.332 0.607 -2.955 1.00 52.10 C ATOM 160 H VAL A 12 -0.250 2.975 -1.449 1.00 22.11 H ATOM 161 HA VAL A 12 -2.755 3.136 -3.089 1.00 21.21 H ATOM 162 HB VAL A 12 -2.179 0.921 -4.041 1.00 71.34 H ATOM 163 HG11 VAL A 12 -0.379 1.573 -5.558 1.00 11.22 H ATOM 164 HG12 VAL A 12 -1.524 2.921 -5.311 1.00 3.11 H ATOM 165 HG13 VAL A 12 0.068 2.940 -4.504 1.00 42.31 H ATOM 166 HG21 VAL A 12 0.579 1.170 -2.704 1.00 31.32 H ATOM 167 HG22 VAL A 12 -0.734 0.155 -2.037 1.00 41.51 H ATOM 168 HG23 VAL A 12 -0.056 -0.198 -3.654 1.00 61.21 H ATOM 169 N ILE A 13 -3.580 0.904 -1.582 1.00 4.12 N ATOM 170 CA ILE A 13 -4.466 0.430 -0.523 1.00 0.42 C ATOM 171 C ILE A 13 -4.084 -0.987 -0.145 1.00 53.32 C ATOM 172 O ILE A 13 -4.085 -1.816 -1.040 1.00 14.01 O ATOM 173 CB ILE A 13 -5.940 0.516 -1.019 1.00 74.33 C ATOM 174 CG1 ILE A 13 -6.342 1.872 -1.686 1.00 45.10 C ATOM 175 CG2 ILE A 13 -6.936 0.171 0.120 1.00 31.11 C ATOM 176 CD1 ILE A 13 -6.045 1.969 -3.211 1.00 40.34 C ATOM 177 H ILE A 13 -3.691 0.457 -2.464 1.00 15.33 H ATOM 178 HA ILE A 13 -4.396 1.059 0.362 1.00 23.52 H ATOM 179 HB ILE A 13 -6.023 -0.267 -1.775 1.00 21.33 H ATOM 180 HG12 ILE A 13 -7.435 1.996 -1.606 1.00 10.10 H ATOM 181 HG13 ILE A 13 -5.874 2.710 -1.145 1.00 73.43 H ATOM 182 HG21 ILE A 13 -7.968 0.111 -0.254 1.00 22.21 H ATOM 183 HG22 ILE A 13 -6.682 -0.802 0.555 1.00 15.43 H ATOM 184 HG23 ILE A 13 -6.904 0.951 0.892 1.00 61.15 H ATOM 185 HD11 ILE A 13 -6.570 2.839 -3.638 1.00 32.31 H ATOM 186 HD12 ILE A 13 -4.978 2.104 -3.423 1.00 53.13 H ATOM 187 HD13 ILE A 13 -6.399 1.069 -3.739 1.00 73.22 H ATOM 188 N SER A 14 -3.757 -1.302 1.136 1.00 60.33 N ATOM 189 CA SER A 14 -3.286 -2.644 1.482 1.00 45.10 C ATOM 190 C SER A 14 -3.690 -3.056 2.877 1.00 14.33 C ATOM 191 O SER A 14 -4.370 -2.298 3.550 1.00 45.41 O ATOM 192 CB SER A 14 -1.735 -2.631 1.423 1.00 30.24 C ATOM 193 OG SER A 14 -1.194 -3.886 0.980 1.00 54.32 O ATOM 194 H SER A 14 -3.746 -0.614 1.862 1.00 3.20 H ATOM 195 HA SER A 14 -3.700 -3.389 0.786 1.00 74.31 H ATOM 196 HB2 SER A 14 -1.413 -1.800 0.780 1.00 24.44 H ATOM 197 HB3 SER A 14 -1.300 -2.450 2.418 1.00 5.40 H ATOM 198 HG SER A 14 -1.469 -4.116 0.098 1.00 20.23 H ATOM 199 N ARG A 15 -3.250 -4.258 3.321 1.00 55.44 N ATOM 200 CA ARG A 15 -3.514 -4.675 4.696 1.00 75.21 C ATOM 201 C ARG A 15 -3.102 -3.618 5.694 1.00 4.12 C ATOM 202 O ARG A 15 -2.152 -2.894 5.439 1.00 63.11 O ATOM 203 CB ARG A 15 -2.925 -6.050 5.141 1.00 43.13 C ATOM 204 CG ARG A 15 -1.372 -6.169 5.254 1.00 64.15 C ATOM 205 CD ARG A 15 -0.602 -6.232 3.901 1.00 44.54 C ATOM 206 NE ARG A 15 -1.074 -7.324 3.036 1.00 14.22 N ATOM 207 CZ ARG A 15 -0.802 -7.425 1.753 1.00 41.41 C ATOM 208 NH1 ARG A 15 -0.008 -6.590 1.121 1.00 0.52 N ATOM 209 NH2 ARG A 15 -1.339 -8.408 1.063 1.00 44.01 N ATOM 210 H ARG A 15 -2.778 -4.880 2.699 1.00 65.22 H ATOM 211 HA ARG A 15 -4.607 -4.774 4.757 1.00 61.35 H ATOM 212 HB2 ARG A 15 -3.335 -6.264 6.144 1.00 33.41 H ATOM 213 HB3 ARG A 15 -3.308 -6.831 4.474 1.00 13.15 H ATOM 214 HG2 ARG A 15 -0.980 -5.341 5.867 1.00 20.35 H ATOM 215 HG3 ARG A 15 -1.144 -7.108 5.787 1.00 5.33 H ATOM 216 HD2 ARG A 15 -0.682 -5.234 3.447 1.00 33.32 H ATOM 217 HD3 ARG A 15 0.465 -6.420 4.110 1.00 24.13 H ATOM 218 HE ARG A 15 -1.663 -8.051 3.471 1.00 53.42 H ATOM 219 HH11 ARG A 15 0.465 -5.823 1.611 1.00 74.31 H ATOM 220 HH12 ARG A 15 0.178 -6.697 0.113 1.00 3.23 H ATOM 221 HH21 ARG A 15 -1.971 -9.091 1.509 1.00 52.52 H ATOM 222 HH22 ARG A 15 -1.148 -8.522 0.056 1.00 31.45 H ATOM 223 N PHE A 16 -3.813 -3.533 6.844 1.00 60.22 N ATOM 224 CA PHE A 16 -3.403 -2.608 7.899 1.00 63.53 C ATOM 225 C PHE A 16 -2.101 -3.111 8.475 1.00 75.40 C ATOM 226 O PHE A 16 -1.906 -4.317 8.477 1.00 32.13 O ATOM 227 CB PHE A 16 -4.475 -2.539 9.018 1.00 60.32 C ATOM 228 CG PHE A 16 -3.991 -1.702 10.209 1.00 45.40 C ATOM 229 CD1 PHE A 16 -4.141 -0.311 10.205 1.00 73.52 C ATOM 230 CD2 PHE A 16 -3.400 -2.326 11.313 1.00 2.10 C ATOM 231 CE1 PHE A 16 -3.762 0.442 11.319 1.00 51.02 C ATOM 232 CE2 PHE A 16 -3.008 -1.573 12.424 1.00 1.43 C ATOM 233 CZ PHE A 16 -3.194 -0.189 12.430 1.00 31.32 C ATOM 234 H PHE A 16 -4.593 -4.140 7.016 1.00 32.44 H ATOM 235 HA PHE A 16 -3.267 -1.602 7.470 1.00 62.11 H ATOM 236 HB2 PHE A 16 -5.408 -2.115 8.615 1.00 61.43 H ATOM 237 HB3 PHE A 16 -4.706 -3.558 9.369 1.00 53.14 H ATOM 238 HD1 PHE A 16 -4.555 0.190 9.337 1.00 41.41 H ATOM 239 HD2 PHE A 16 -3.243 -3.399 11.317 1.00 73.42 H ATOM 240 HE1 PHE A 16 -3.909 1.517 11.325 1.00 44.23 H ATOM 241 HE2 PHE A 16 -2.561 -2.065 13.282 1.00 23.34 H ATOM 242 HZ PHE A 16 -2.898 0.396 13.295 1.00 12.32 H ATOM 243 N GLY A 17 -1.201 -2.222 8.962 1.00 41.13 N ATOM 244 CA GLY A 17 0.065 -2.690 9.522 1.00 72.32 C ATOM 245 C GLY A 17 1.128 -1.622 9.397 1.00 63.32 C ATOM 246 O GLY A 17 1.793 -1.588 8.373 1.00 14.13 O ATOM 247 H GLY A 17 -1.395 -1.238 8.981 1.00 43.11 H ATOM 248 HA2 GLY A 17 -0.092 -2.972 10.575 1.00 41.21 H ATOM 249 HA3 GLY A 17 0.427 -3.584 8.988 1.00 64.31 H ATOM 250 N PHE A 18 1.292 -0.744 10.415 1.00 51.11 N ATOM 251 CA PHE A 18 2.318 0.299 10.361 1.00 12.44 C ATOM 252 C PHE A 18 3.495 -0.141 11.198 1.00 23.41 C ATOM 253 O PHE A 18 3.686 0.378 12.286 1.00 14.15 O ATOM 254 CB PHE A 18 1.716 1.648 10.838 1.00 75.14 C ATOM 255 CG PHE A 18 0.690 2.124 9.798 1.00 10.21 C ATOM 256 CD1 PHE A 18 1.110 2.909 8.717 1.00 5.21 C ATOM 257 CD2 PHE A 18 -0.661 1.778 9.910 1.00 32.53 C ATOM 258 CE1 PHE A 18 0.192 3.343 7.758 1.00 71.33 C ATOM 259 CE2 PHE A 18 -1.579 2.207 8.947 1.00 51.41 C ATOM 260 CZ PHE A 18 -1.154 2.986 7.868 1.00 72.24 C ATOM 261 H PHE A 18 0.736 -0.812 11.246 1.00 50.42 H ATOM 262 HA PHE A 18 2.689 0.469 9.337 1.00 75.33 H ATOM 263 HB2 PHE A 18 1.245 1.539 11.828 1.00 21.02 H ATOM 264 HB3 PHE A 18 2.514 2.402 10.934 1.00 41.22 H ATOM 265 HD1 PHE A 18 2.156 3.183 8.616 1.00 30.42 H ATOM 266 HD2 PHE A 18 -1.001 1.173 10.744 1.00 4.02 H ATOM 267 HE1 PHE A 18 0.526 3.957 6.928 1.00 21.40 H ATOM 268 HE2 PHE A 18 -2.625 1.937 9.034 1.00 73.21 H ATOM 269 HZ PHE A 18 -1.867 3.315 7.118 1.00 43.11 H ATOM 270 N ASN A 19 4.305 -1.103 10.696 1.00 3.40 N ATOM 271 CA ASN A 19 5.487 -1.522 11.446 1.00 4.31 C ATOM 272 C ASN A 19 6.451 -0.365 11.516 1.00 23.03 C ATOM 273 O ASN A 19 7.025 -0.050 12.547 1.00 73.44 O ATOM 274 CB ASN A 19 6.171 -2.761 10.802 1.00 62.11 C ATOM 275 CG ASN A 19 6.700 -2.456 9.418 1.00 54.01 C ATOM 276 OD1 ASN A 19 5.989 -2.687 8.451 1.00 45.22 O ATOM 277 ND2 ASN A 19 7.864 -1.959 9.249 1.00 62.43 N ATOM 278 OXT ASN A 19 6.641 0.307 10.382 1.00 0.00 O ATOM 279 H ASN A 19 4.126 -1.514 9.798 1.00 1.45 H ATOM 280 HA ASN A 19 5.181 -1.793 12.471 1.00 53.32 H ATOM 281 HB2 ASN A 19 6.997 -3.099 11.449 1.00 61.32 H ATOM 282 HB3 ASN A 19 5.440 -3.583 10.742 1.00 2.03 H ATOM 283 HD21 ASN A 19 8.459 -1.763 10.040 1.00 2.01 H ATOM 284 HD22 ASN A 19 8.205 -1.755 8.321 1.00 23.32 H TER 285 ASN A 19 ENDMDL MODEL 14 ATOM 1 N GLY A 1 1.275 -0.206 1.377 1.00 5.23 N ATOM 2 CA GLY A 1 2.149 -0.080 0.203 1.00 24.32 C ATOM 3 C GLY A 1 1.763 -0.913 -1.003 1.00 10.03 C ATOM 4 O GLY A 1 2.121 -0.504 -2.096 1.00 53.13 O ATOM 5 H1 GLY A 1 1.398 -1.012 1.962 1.00 72.22 H ATOM 6 HA2 GLY A 1 2.227 0.975 -0.105 1.00 5.52 H ATOM 7 HA3 GLY A 1 3.163 -0.398 0.490 1.00 40.32 H ATOM 8 N THR A 2 1.077 -2.073 -0.856 1.00 43.31 N ATOM 9 CA THR A 2 0.610 -2.854 -2.013 1.00 11.32 C ATOM 10 C THR A 2 -0.815 -2.439 -2.336 1.00 64.23 C ATOM 11 O THR A 2 -1.469 -1.954 -1.430 1.00 54.13 O ATOM 12 CB THR A 2 0.754 -4.392 -1.751 1.00 24.22 C ATOM 13 OG1 THR A 2 1.547 -4.992 -2.795 1.00 43.44 O ATOM 14 CG2 THR A 2 -0.606 -5.139 -1.640 1.00 61.33 C ATOM 15 H THR A 2 0.860 -2.405 0.056 1.00 23.31 H ATOM 16 HA THR A 2 1.251 -2.611 -2.875 1.00 12.40 H ATOM 17 HB THR A 2 1.308 -4.542 -0.808 1.00 14.11 H ATOM 18 HG1 THR A 2 1.704 -5.922 -2.664 1.00 5.23 H ATOM 19 HG21 THR A 2 -0.443 -6.175 -1.311 1.00 64.24 H ATOM 20 HG22 THR A 2 -1.105 -5.176 -2.618 1.00 54.15 H ATOM 21 HG23 THR A 2 -1.278 -4.653 -0.921 1.00 34.43 H ATOM 22 N PRO A 3 -1.367 -2.589 -3.568 1.00 72.42 N ATOM 23 CA PRO A 3 -2.742 -2.167 -3.826 1.00 33.04 C ATOM 24 C PRO A 3 -3.803 -3.099 -3.271 1.00 11.13 C ATOM 25 O PRO A 3 -3.479 -4.203 -2.863 1.00 14.01 O ATOM 26 CB PRO A 3 -2.740 -2.189 -5.373 1.00 23.54 C ATOM 27 CG PRO A 3 -1.749 -3.322 -5.714 1.00 40.14 C ATOM 28 CD PRO A 3 -0.605 -3.103 -4.699 1.00 22.23 C ATOM 29 HA PRO A 3 -2.913 -1.145 -3.461 1.00 13.52 H ATOM 30 HB2 PRO A 3 -3.735 -2.360 -5.810 1.00 55.31 H ATOM 31 HB3 PRO A 3 -2.338 -1.237 -5.761 1.00 34.04 H ATOM 32 HG2 PRO A 3 -2.234 -4.293 -5.517 1.00 55.23 H ATOM 33 HG3 PRO A 3 -1.401 -3.299 -6.759 1.00 34.33 H ATOM 34 HD2 PRO A 3 -0.071 -4.042 -4.505 1.00 75.03 H ATOM 35 HD3 PRO A 3 0.095 -2.331 -5.056 1.00 61.24 H ATOM 36 N GLY A 4 -5.084 -2.645 -3.255 1.00 0.35 N ATOM 37 CA GLY A 4 -6.176 -3.430 -2.710 1.00 71.11 C ATOM 38 C GLY A 4 -7.289 -2.566 -2.151 1.00 31.11 C ATOM 39 O GLY A 4 -7.400 -1.388 -2.490 1.00 2.44 O ATOM 40 H GLY A 4 -5.255 -1.742 -3.595 1.00 43.51 H ATOM 41 HA2 GLY A 4 -6.579 -4.057 -3.492 1.00 0.33 H ATOM 42 HA3 GLY A 4 -5.793 -4.059 -1.920 1.00 10.12 H ATOM 43 N PHE A 5 -8.117 -3.153 -1.293 1.00 53.21 N ATOM 44 CA PHE A 5 -9.229 -2.429 -0.688 1.00 34.43 C ATOM 45 C PHE A 5 -9.165 -2.509 0.835 1.00 52.52 C ATOM 46 O PHE A 5 -9.930 -1.843 1.533 1.00 24.52 O ATOM 47 CB PHE A 5 -10.563 -2.994 -1.183 1.00 44.42 C ATOM 48 CG PHE A 5 -11.695 -2.793 -0.217 1.00 25.45 C ATOM 49 CD1 PHE A 5 -12.392 -1.596 -0.184 1.00 24.52 C ATOM 50 CD2 PHE A 5 -12.061 -3.802 0.660 1.00 72.12 C ATOM 51 CE1 PHE A 5 -13.434 -1.409 0.704 1.00 31.13 C ATOM 52 CE2 PHE A 5 -13.103 -3.621 1.550 1.00 41.43 C ATOM 53 CZ PHE A 5 -13.789 -2.422 1.573 1.00 74.31 C ATOM 54 H PHE A 5 -7.977 -4.095 -1.062 1.00 74.32 H ATOM 55 HA PHE A 5 -9.153 -1.395 -0.986 1.00 63.31 H ATOM 56 HB2 PHE A 5 -10.829 -2.508 -2.110 1.00 3.00 H ATOM 57 HB3 PHE A 5 -10.455 -4.054 -1.355 1.00 43.11 H ATOM 58 HD1 PHE A 5 -12.114 -0.803 -0.863 1.00 50.42 H ATOM 59 HD2 PHE A 5 -11.525 -4.739 0.644 1.00 64.42 H ATOM 60 HE1 PHE A 5 -13.969 -0.471 0.720 1.00 45.25 H ATOM 61 HE2 PHE A 5 -13.379 -4.414 2.228 1.00 24.31 H ATOM 62 HZ PHE A 5 -14.604 -2.278 2.267 1.00 61.30 H ATOM 63 N GLN A 6 -8.248 -3.327 1.341 1.00 52.14 N ATOM 64 CA GLN A 6 -8.085 -3.494 2.780 1.00 60.11 C ATOM 65 C GLN A 6 -8.047 -2.142 3.484 1.00 15.13 C ATOM 66 O GLN A 6 -9.015 -1.739 4.131 1.00 52.13 O ATOM 67 CB GLN A 6 -6.805 -4.275 3.082 1.00 71.40 C ATOM 68 CG GLN A 6 -6.812 -5.692 2.529 1.00 10.52 C ATOM 69 CD GLN A 6 -6.085 -5.804 1.204 1.00 70.23 C ATOM 70 OE1 GLN A 6 -6.506 -5.227 0.201 1.00 61.23 O ATOM 71 NE2 GLN A 6 -4.986 -6.550 1.192 1.00 34.03 N ATOM 72 H GLN A 6 -7.669 -3.830 0.732 1.00 4.12 H ATOM 73 HA GLN A 6 -8.932 -4.053 3.147 1.00 72.54 H ATOM 74 HB2 GLN A 6 -5.966 -3.748 2.653 1.00 20.40 H ATOM 75 HB3 GLN A 6 -6.676 -4.331 4.153 1.00 62.12 H ATOM 76 HG2 GLN A 6 -6.331 -6.345 3.242 1.00 34.11 H ATOM 77 HG3 GLN A 6 -7.836 -6.004 2.389 1.00 33.35 H ATOM 78 HE21 GLN A 6 -4.711 -6.981 2.029 1.00 34.01 H ATOM 79 HE22 GLN A 6 -4.497 -6.641 0.349 1.00 13.11 H ATOM 80 N THR A 7 -6.949 -1.333 3.419 1.00 53.14 N ATOM 81 CA THR A 7 -6.903 -0.068 4.174 1.00 42.22 C ATOM 82 C THR A 7 -5.774 0.822 3.678 1.00 71.11 C ATOM 83 O THR A 7 -4.819 0.243 3.186 1.00 73.01 O ATOM 84 CB THR A 7 -6.779 -0.390 5.700 1.00 12.12 C ATOM 85 OG1 THR A 7 -7.639 0.433 6.509 1.00 71.03 O ATOM 86 CG2 THR A 7 -5.336 -0.223 6.241 1.00 55.03 C ATOM 87 H THR A 7 -6.132 -1.562 2.893 1.00 74.33 H ATOM 88 HA THR A 7 -7.847 0.460 3.969 1.00 13.52 H ATOM 89 HB THR A 7 -7.070 -1.440 5.884 1.00 53.11 H ATOM 90 HG1 THR A 7 -8.562 0.327 6.298 1.00 41.12 H ATOM 91 HG21 THR A 7 -5.006 0.824 6.169 1.00 25.53 H ATOM 92 HG22 THR A 7 -4.634 -0.864 5.689 1.00 42.15 H ATOM 93 HG23 THR A 7 -5.314 -0.512 7.301 1.00 14.13 H ATOM 94 N PRO A 8 -5.786 2.181 3.764 1.00 33.35 N ATOM 95 CA PRO A 8 -4.705 2.973 3.179 1.00 73.02 C ATOM 96 C PRO A 8 -3.372 2.667 3.829 1.00 65.13 C ATOM 97 O PRO A 8 -3.252 2.924 5.017 1.00 54.44 O ATOM 98 CB PRO A 8 -5.200 4.413 3.479 1.00 10.02 C ATOM 99 CG PRO A 8 -6.136 4.245 4.697 1.00 4.31 C ATOM 100 CD PRO A 8 -6.868 2.916 4.402 1.00 74.42 C ATOM 101 HA PRO A 8 -4.667 2.858 2.087 1.00 40.24 H ATOM 102 HB2 PRO A 8 -4.379 5.126 3.657 1.00 43.04 H ATOM 103 HB3 PRO A 8 -5.810 4.786 2.638 1.00 14.43 H ATOM 104 HG2 PRO A 8 -5.525 4.135 5.609 1.00 33.24 H ATOM 105 HG3 PRO A 8 -6.827 5.093 4.834 1.00 11.04 H ATOM 106 HD2 PRO A 8 -7.242 2.483 5.337 1.00 74.04 H ATOM 107 HD3 PRO A 8 -7.695 3.061 3.689 1.00 15.51 H ATOM 108 N ASP A 9 -2.367 2.130 3.089 1.00 13.53 N ATOM 109 CA ASP A 9 -1.061 1.851 3.686 1.00 2.12 C ATOM 110 C ASP A 9 -0.240 3.121 3.663 1.00 4.12 C ATOM 111 O ASP A 9 0.285 3.507 4.696 1.00 72.13 O ATOM 112 CB ASP A 9 -0.356 0.624 3.030 1.00 71.22 C ATOM 113 CG ASP A 9 0.380 0.761 1.711 1.00 55.13 C ATOM 114 OD1 ASP A 9 0.142 1.761 0.983 1.00 33.31 O ATOM 115 H ASP A 9 -2.470 1.947 2.113 1.00 64.15 H ATOM 116 HA ASP A 9 -1.226 1.566 4.741 1.00 44.45 H ATOM 117 HB2 ASP A 9 0.375 0.237 3.755 1.00 31.23 H ATOM 118 HB3 ASP A 9 -1.134 -0.137 2.901 1.00 3.11 H ATOM 119 N ALA A 10 -0.144 3.794 2.493 1.00 35.10 N ATOM 120 CA ALA A 10 0.558 5.073 2.410 1.00 73.15 C ATOM 121 C ALA A 10 0.139 5.751 1.118 1.00 35.32 C ATOM 122 O ALA A 10 -0.735 6.602 1.172 1.00 21.32 O ATOM 123 CB ALA A 10 2.092 4.884 2.564 1.00 42.03 C ATOM 124 H ALA A 10 -0.558 3.425 1.658 1.00 20.52 H ATOM 125 HA ALA A 10 0.222 5.723 3.238 1.00 52.22 H ATOM 126 HB1 ALA A 10 2.615 5.818 2.307 1.00 11.34 H ATOM 127 HB2 ALA A 10 2.348 4.619 3.602 1.00 64.14 H ATOM 128 HB3 ALA A 10 2.459 4.074 1.917 1.00 11.22 H ATOM 129 N ARG A 11 0.712 5.378 -0.052 1.00 22.13 N ATOM 130 CA ARG A 11 0.194 5.879 -1.326 1.00 34.44 C ATOM 131 C ARG A 11 -0.986 5.031 -1.757 1.00 34.43 C ATOM 132 O ARG A 11 -1.947 5.590 -2.260 1.00 53.41 O ATOM 133 CB ARG A 11 1.285 5.829 -2.433 1.00 43.10 C ATOM 134 CG ARG A 11 0.784 6.458 -3.766 1.00 42.21 C ATOM 135 CD ARG A 11 1.835 6.340 -4.904 1.00 73.44 C ATOM 136 NE ARG A 11 1.346 6.938 -6.151 1.00 11.31 N ATOM 137 CZ ARG A 11 2.028 6.933 -7.278 1.00 64.22 C ATOM 138 NH1 ARG A 11 3.221 6.394 -7.386 1.00 31.31 N ATOM 139 NH2 ARG A 11 1.495 7.491 -8.342 1.00 62.41 N ATOM 140 H ARG A 11 1.445 4.699 -0.081 1.00 14.34 H ATOM 141 HA ARG A 11 -0.118 6.931 -1.216 1.00 50.40 H ATOM 142 HB2 ARG A 11 2.170 6.385 -2.084 1.00 24.30 H ATOM 143 HB3 ARG A 11 1.586 4.783 -2.602 1.00 20.32 H ATOM 144 HG2 ARG A 11 -0.135 5.955 -4.104 1.00 73.25 H ATOM 145 HG3 ARG A 11 0.551 7.523 -3.599 1.00 1.32 H ATOM 146 HD2 ARG A 11 2.757 6.852 -4.582 1.00 32.40 H ATOM 147 HD3 ARG A 11 2.040 5.269 -5.063 1.00 65.14 H ATOM 148 HE ARG A 11 0.413 7.380 -6.132 1.00 12.25 H ATOM 149 HH11 ARG A 11 3.688 5.948 -6.587 1.00 34.32 H ATOM 150 HH12 ARG A 11 3.726 6.406 -8.285 1.00 74.35 H ATOM 151 HH21 ARG A 11 0.561 7.927 -8.307 1.00 1.35 H ATOM 152 HH22 ARG A 11 1.997 7.507 -9.243 1.00 25.34 H ATOM 153 N VAL A 12 -0.919 3.687 -1.580 1.00 41.11 N ATOM 154 CA VAL A 12 -1.958 2.783 -2.084 1.00 62.11 C ATOM 155 C VAL A 12 -2.576 2.039 -0.915 1.00 23.34 C ATOM 156 O VAL A 12 -2.293 2.412 0.212 1.00 11.02 O ATOM 157 CB VAL A 12 -1.358 1.902 -3.223 1.00 64.23 C ATOM 158 CG1 VAL A 12 -0.801 2.778 -4.379 1.00 1.11 C ATOM 159 CG2 VAL A 12 -0.253 0.957 -2.688 1.00 40.45 C ATOM 160 H VAL A 12 -0.157 3.267 -1.090 1.00 51.04 H ATOM 161 HA VAL A 12 -2.800 3.339 -2.522 1.00 75.41 H ATOM 162 HB VAL A 12 -2.151 1.284 -3.673 1.00 44.52 H ATOM 163 HG11 VAL A 12 -0.429 2.140 -5.196 1.00 65.32 H ATOM 164 HG12 VAL A 12 -1.591 3.432 -4.778 1.00 34.30 H ATOM 165 HG13 VAL A 12 0.030 3.405 -4.029 1.00 74.23 H ATOM 166 HG21 VAL A 12 -0.599 0.439 -1.783 1.00 15.14 H ATOM 167 HG22 VAL A 12 0.003 0.207 -3.453 1.00 24.11 H ATOM 168 HG23 VAL A 12 0.655 1.528 -2.443 1.00 10.34 H ATOM 169 N ILE A 13 -3.446 1.025 -1.152 1.00 25.12 N ATOM 170 CA ILE A 13 -4.300 0.474 -0.097 1.00 10.25 C ATOM 171 C ILE A 13 -3.936 -0.972 0.180 1.00 72.22 C ATOM 172 O ILE A 13 -3.994 -1.745 -0.762 1.00 60.44 O ATOM 173 CB ILE A 13 -5.762 0.645 -0.606 1.00 12.44 C ATOM 174 CG1 ILE A 13 -6.072 2.084 -1.140 1.00 54.04 C ATOM 175 CG2 ILE A 13 -6.828 0.195 0.425 1.00 63.33 C ATOM 176 CD1 ILE A 13 -6.512 2.065 -2.631 1.00 31.22 C ATOM 177 H ILE A 13 -3.617 0.696 -2.077 1.00 12.30 H ATOM 178 HA ILE A 13 -4.214 1.048 0.823 1.00 40.33 H ATOM 179 HB ILE A 13 -5.819 -0.055 -1.445 1.00 44.22 H ATOM 180 HG12 ILE A 13 -6.881 2.549 -0.555 1.00 52.52 H ATOM 181 HG13 ILE A 13 -5.203 2.754 -1.048 1.00 20.53 H ATOM 182 HG21 ILE A 13 -7.836 0.312 0.003 1.00 22.32 H ATOM 183 HG22 ILE A 13 -6.687 -0.859 0.700 1.00 34.54 H ATOM 184 HG23 ILE A 13 -6.769 0.826 1.321 1.00 63.03 H ATOM 185 HD11 ILE A 13 -5.715 1.647 -3.266 1.00 54.42 H ATOM 186 HD12 ILE A 13 -7.418 1.451 -2.752 1.00 12.02 H ATOM 187 HD13 ILE A 13 -6.733 3.086 -2.982 1.00 62.24 H ATOM 188 N SER A 14 -3.563 -1.374 1.428 1.00 54.11 N ATOM 189 CA SER A 14 -3.097 -2.745 1.683 1.00 20.53 C ATOM 190 C SER A 14 -3.505 -3.276 3.036 1.00 31.34 C ATOM 191 O SER A 14 -4.082 -2.523 3.804 1.00 61.10 O ATOM 192 CB SER A 14 -1.550 -2.757 1.720 1.00 0.15 C ATOM 193 OG SER A 14 -1.073 -4.090 1.483 1.00 33.43 O ATOM 194 H SER A 14 -3.533 -0.735 2.197 1.00 64.54 H ATOM 195 HA SER A 14 -3.465 -3.440 0.910 1.00 31.42 H ATOM 196 HB2 SER A 14 -1.194 -2.050 0.963 1.00 12.44 H ATOM 197 HB3 SER A 14 -1.175 -2.425 2.702 1.00 23.22 H ATOM 198 HG SER A 14 -0.124 -4.142 1.489 1.00 70.34 H ATOM 199 N ARG A 15 -3.189 -4.560 3.343 1.00 61.23 N ATOM 200 CA ARG A 15 -3.506 -5.097 4.665 1.00 71.15 C ATOM 201 C ARG A 15 -3.009 -4.189 5.764 1.00 72.12 C ATOM 202 O ARG A 15 -2.044 -3.474 5.545 1.00 41.14 O ATOM 203 CB ARG A 15 -3.080 -6.569 4.943 1.00 61.32 C ATOM 204 CG ARG A 15 -1.558 -6.821 5.166 1.00 22.02 C ATOM 205 CD ARG A 15 -0.632 -6.611 3.932 1.00 42.22 C ATOM 206 NE ARG A 15 -0.965 -7.475 2.794 1.00 13.24 N ATOM 207 CZ ARG A 15 -0.268 -7.519 1.676 1.00 53.13 C ATOM 208 NH1 ARG A 15 0.804 -6.790 1.473 1.00 51.42 N ATOM 209 NH2 ARG A 15 -0.660 -8.333 0.720 1.00 25.21 N ATOM 210 H ARG A 15 -2.768 -5.163 2.664 1.00 25.33 H ATOM 211 HA ARG A 15 -4.602 -5.098 4.718 1.00 14.44 H ATOM 212 HB2 ARG A 15 -3.581 -6.887 5.874 1.00 44.20 H ATOM 213 HB3 ARG A 15 -3.479 -7.209 4.145 1.00 23.44 H ATOM 214 HG2 ARG A 15 -1.205 -6.182 5.993 1.00 74.32 H ATOM 215 HG3 ARG A 15 -1.434 -7.870 5.485 1.00 52.40 H ATOM 216 HD2 ARG A 15 -0.656 -5.548 3.652 1.00 34.13 H ATOM 217 HD3 ARG A 15 0.391 -6.857 4.266 1.00 62.22 H ATOM 218 HE ARG A 15 -1.779 -8.097 2.891 1.00 60.13 H ATOM 219 HH11 ARG A 15 1.162 -6.143 2.187 1.00 63.31 H ATOM 220 HH12 ARG A 15 1.326 -6.852 0.586 1.00 44.41 H ATOM 221 HH21 ARG A 15 -1.498 -8.923 0.829 1.00 53.51 H ATOM 222 HH22 ARG A 15 -0.136 -8.407 -0.165 1.00 44.44 H ATOM 223 N PHE A 16 -3.668 -4.208 6.947 1.00 0.13 N ATOM 224 CA PHE A 16 -3.239 -3.356 8.053 1.00 24.25 C ATOM 225 C PHE A 16 -1.986 -3.952 8.655 1.00 42.44 C ATOM 226 O PHE A 16 -2.064 -4.544 9.720 1.00 53.30 O ATOM 227 CB PHE A 16 -4.374 -3.214 9.108 1.00 45.22 C ATOM 228 CG PHE A 16 -3.902 -2.421 10.337 1.00 30.04 C ATOM 229 CD1 PHE A 16 -3.571 -1.066 10.218 1.00 74.32 C ATOM 230 CD2 PHE A 16 -3.795 -3.040 11.589 1.00 70.13 C ATOM 231 CE1 PHE A 16 -3.123 -0.344 11.327 1.00 3.43 C ATOM 232 CE2 PHE A 16 -3.356 -2.319 12.703 1.00 14.33 C ATOM 233 CZ PHE A 16 -3.015 -0.970 12.572 1.00 34.54 C ATOM 234 H PHE A 16 -4.444 -4.826 7.092 1.00 33.20 H ATOM 235 HA PHE A 16 -3.008 -2.347 7.675 1.00 44.42 H ATOM 236 HB2 PHE A 16 -5.236 -2.697 8.658 1.00 23.01 H ATOM 237 HB3 PHE A 16 -4.714 -4.216 9.414 1.00 4.45 H ATOM 238 HD1 PHE A 16 -3.662 -0.563 9.261 1.00 64.31 H ATOM 239 HD2 PHE A 16 -4.053 -4.087 11.709 1.00 34.15 H ATOM 240 HE1 PHE A 16 -2.859 0.704 11.223 1.00 3.22 H ATOM 241 HE2 PHE A 16 -3.279 -2.807 13.670 1.00 12.42 H ATOM 242 HZ PHE A 16 -2.669 -0.410 13.436 1.00 41.23 H ATOM 243 N GLY A 17 -0.819 -3.788 7.985 1.00 23.12 N ATOM 244 CA GLY A 17 0.448 -4.240 8.553 1.00 72.10 C ATOM 245 C GLY A 17 1.264 -3.061 9.029 1.00 55.05 C ATOM 246 O GLY A 17 2.477 -3.195 9.079 1.00 75.03 O ATOM 247 H GLY A 17 -0.784 -3.301 7.110 1.00 61.33 H ATOM 248 HA2 GLY A 17 0.316 -4.931 9.399 1.00 35.43 H ATOM 249 HA3 GLY A 17 1.008 -4.780 7.772 1.00 31.10 H ATOM 250 N PHE A 18 0.634 -1.915 9.391 1.00 2.52 N ATOM 251 CA PHE A 18 1.395 -0.759 9.865 1.00 45.02 C ATOM 252 C PHE A 18 2.580 -0.503 8.960 1.00 41.12 C ATOM 253 O PHE A 18 3.711 -0.578 9.413 1.00 64.43 O ATOM 254 CB PHE A 18 1.775 -0.991 11.351 1.00 63.43 C ATOM 255 CG PHE A 18 2.335 0.296 11.975 1.00 0.44 C ATOM 256 CD1 PHE A 18 1.461 1.334 12.319 1.00 14.33 C ATOM 257 CD2 PHE A 18 3.707 0.450 12.210 1.00 10.03 C ATOM 258 CE1 PHE A 18 1.951 2.518 12.877 1.00 24.25 C ATOM 259 CE2 PHE A 18 4.200 1.636 12.763 1.00 14.50 C ATOM 260 CZ PHE A 18 3.323 2.671 13.097 1.00 71.42 C ATOM 261 H PHE A 18 -0.365 -1.839 9.386 1.00 3.34 H ATOM 262 HA PHE A 18 0.759 0.142 9.810 1.00 53.43 H ATOM 263 HB2 PHE A 18 0.871 -1.280 11.911 1.00 75.23 H ATOM 264 HB3 PHE A 18 2.493 -1.821 11.433 1.00 71.51 H ATOM 265 HD1 PHE A 18 0.394 1.225 12.155 1.00 35.43 H ATOM 266 HD2 PHE A 18 4.398 -0.349 11.966 1.00 43.44 H ATOM 267 HE1 PHE A 18 1.267 3.319 13.140 1.00 31.52 H ATOM 268 HE2 PHE A 18 5.266 1.753 12.934 1.00 60.25 H ATOM 269 HZ PHE A 18 3.706 3.592 13.527 1.00 45.40 H ATOM 270 N ASN A 19 2.327 -0.208 7.663 1.00 22.41 N ATOM 271 CA ASN A 19 3.430 0.023 6.730 1.00 1.51 C ATOM 272 C ASN A 19 4.181 1.260 7.155 1.00 60.05 C ATOM 273 O ASN A 19 3.831 2.382 6.826 1.00 40.33 O ATOM 274 CB ASN A 19 2.901 0.168 5.277 1.00 42.44 C ATOM 275 CG ASN A 19 4.025 0.349 4.284 1.00 1.01 C ATOM 276 OD1 ASN A 19 4.417 -0.623 3.657 1.00 15.41 O ATOM 277 ND2 ASN A 19 4.565 1.575 4.113 1.00 61.25 N ATOM 278 OXT ASN A 19 5.258 1.067 7.912 1.00 0.00 O ATOM 279 H ASN A 19 1.382 -0.144 7.331 1.00 32.21 H ATOM 280 HA ASN A 19 4.117 -0.841 6.760 1.00 31.14 H ATOM 281 HB2 ASN A 19 2.331 -0.738 5.012 1.00 61.20 H ATOM 282 HB3 ASN A 19 2.216 1.029 5.213 1.00 45.14 H ATOM 283 HD21 ASN A 19 4.235 2.370 4.623 1.00 23.44 H ATOM 284 HD22 ASN A 19 5.313 1.700 3.459 1.00 65.03 H TER 285 ASN A 19 ENDMDL MODEL 15 ATOM 1 N GLY A 1 1.392 0.334 0.844 1.00 64.33 N ATOM 2 CA GLY A 1 2.141 0.379 -0.422 1.00 22.54 C ATOM 3 C GLY A 1 1.705 -0.570 -1.524 1.00 61.20 C ATOM 4 O GLY A 1 1.919 -0.223 -2.674 1.00 41.15 O ATOM 5 H1 GLY A 1 1.597 -0.416 1.479 1.00 30.11 H ATOM 6 HA2 GLY A 1 2.154 1.405 -0.819 1.00 64.14 H ATOM 7 HA3 GLY A 1 3.188 0.117 -0.200 1.00 24.14 H ATOM 8 N THR A 2 1.138 -1.765 -1.233 1.00 64.43 N ATOM 9 CA THR A 2 0.633 -2.666 -2.286 1.00 22.41 C ATOM 10 C THR A 2 -0.811 -2.306 -2.585 1.00 45.44 C ATOM 11 O THR A 2 -1.448 -1.785 -1.685 1.00 62.30 O ATOM 12 CB THR A 2 0.821 -4.173 -1.901 1.00 31.03 C ATOM 13 OG1 THR A 2 1.543 -4.852 -2.947 1.00 75.52 O ATOM 14 CG2 THR A 2 -0.513 -4.926 -1.633 1.00 62.35 C ATOM 15 H THR A 2 1.048 -2.037 -0.283 1.00 3.10 H ATOM 16 HA THR A 2 1.234 -2.494 -3.190 1.00 34.20 H ATOM 17 HB THR A 2 1.441 -4.234 -0.989 1.00 11.42 H ATOM 18 HG1 THR A 2 1.732 -5.763 -2.748 1.00 70.23 H ATOM 19 HG21 THR A 2 -1.147 -4.384 -0.918 1.00 0.14 H ATOM 20 HG22 THR A 2 -0.304 -5.925 -1.220 1.00 44.34 H ATOM 21 HG23 THR A 2 -1.072 -5.055 -2.570 1.00 72.24 H ATOM 22 N PRO A 3 -1.398 -2.539 -3.790 1.00 51.21 N ATOM 23 CA PRO A 3 -2.773 -2.115 -4.034 1.00 42.04 C ATOM 24 C PRO A 3 -3.816 -3.021 -3.411 1.00 1.41 C ATOM 25 O PRO A 3 -3.466 -4.086 -2.927 1.00 1.54 O ATOM 26 CB PRO A 3 -2.810 -2.217 -5.577 1.00 11.33 C ATOM 27 CG PRO A 3 -1.852 -3.390 -5.879 1.00 32.31 C ATOM 28 CD PRO A 3 -0.679 -3.139 -4.904 1.00 71.44 C ATOM 29 HA PRO A 3 -2.932 -1.075 -3.709 1.00 1.25 H ATOM 30 HB2 PRO A 3 -3.818 -2.389 -5.982 1.00 3.23 H ATOM 31 HB3 PRO A 3 -2.398 -1.296 -6.022 1.00 72.52 H ATOM 32 HG2 PRO A 3 -2.355 -4.337 -5.618 1.00 13.32 H ATOM 33 HG3 PRO A 3 -1.534 -3.433 -6.933 1.00 51.03 H ATOM 34 HD2 PRO A 3 -0.167 -4.079 -4.663 1.00 51.24 H ATOM 35 HD3 PRO A 3 0.031 -2.413 -5.332 1.00 5.22 H ATOM 36 N GLY A 4 -5.103 -2.585 -3.418 1.00 1.15 N ATOM 37 CA GLY A 4 -6.172 -3.337 -2.787 1.00 2.24 C ATOM 38 C GLY A 4 -7.254 -2.440 -2.218 1.00 61.41 C ATOM 39 O GLY A 4 -7.370 -1.276 -2.601 1.00 33.11 O ATOM 40 H GLY A 4 -5.291 -1.709 -3.815 1.00 10.11 H ATOM 41 HA2 GLY A 4 -6.613 -3.997 -3.518 1.00 72.02 H ATOM 42 HA3 GLY A 4 -5.755 -3.930 -1.986 1.00 60.21 H ATOM 43 N PHE A 5 -8.049 -2.983 -1.302 1.00 74.55 N ATOM 44 CA PHE A 5 -9.130 -2.226 -0.682 1.00 3.41 C ATOM 45 C PHE A 5 -9.017 -2.265 0.839 1.00 14.33 C ATOM 46 O PHE A 5 -9.768 -1.591 1.544 1.00 2.42 O ATOM 47 CB PHE A 5 -10.487 -2.781 -1.119 1.00 0.42 C ATOM 48 CG PHE A 5 -11.592 -2.501 -0.141 1.00 1.03 C ATOM 49 CD1 PHE A 5 -12.204 -1.258 -0.103 1.00 63.31 C ATOM 50 CD2 PHE A 5 -12.019 -3.481 0.741 1.00 52.22 C ATOM 51 CE1 PHE A 5 -13.220 -0.998 0.797 1.00 71.34 C ATOM 52 CE2 PHE A 5 -13.036 -3.227 1.643 1.00 44.35 C ATOM 53 CZ PHE A 5 -13.637 -1.984 1.670 1.00 54.14 C ATOM 54 H PHE A 5 -7.907 -3.917 -1.038 1.00 43.23 H ATOM 55 HA PHE A 5 -9.046 -1.201 -1.011 1.00 33.41 H ATOM 56 HB2 PHE A 5 -10.762 -2.338 -2.064 1.00 44.42 H ATOM 57 HB3 PHE A 5 -10.409 -3.851 -1.236 1.00 41.14 H ATOM 58 HD1 PHE A 5 -11.879 -0.487 -0.786 1.00 14.21 H ATOM 59 HD2 PHE A 5 -11.549 -4.454 0.720 1.00 21.02 H ATOM 60 HE1 PHE A 5 -13.689 -0.026 0.816 1.00 53.15 H ATOM 61 HE2 PHE A 5 -13.359 -4.000 2.324 1.00 52.24 H ATOM 62 HZ PHE A 5 -14.431 -1.783 2.374 1.00 70.14 H ATOM 63 N GLN A 6 -8.075 -3.059 1.337 1.00 73.31 N ATOM 64 CA GLN A 6 -7.866 -3.187 2.774 1.00 25.52 C ATOM 65 C GLN A 6 -7.801 -1.817 3.439 1.00 10.43 C ATOM 66 O GLN A 6 -8.740 -1.398 4.117 1.00 73.00 O ATOM 67 CB GLN A 6 -6.579 -3.965 3.056 1.00 62.23 C ATOM 68 CG GLN A 6 -6.613 -5.400 2.554 1.00 44.43 C ATOM 69 CD GLN A 6 -6.005 -5.549 1.173 1.00 74.13 C ATOM 70 OE1 GLN A 6 -6.657 -5.281 0.163 1.00 71.00 O ATOM 71 NE2 GLN A 6 -4.750 -5.979 1.121 1.00 30.11 N ATOM 72 H GLN A 6 -7.509 -3.571 0.724 1.00 62.24 H ATOM 73 HA GLN A 6 -8.702 -3.733 3.184 1.00 61.34 H ATOM 74 HB2 GLN A 6 -5.754 -3.458 2.578 1.00 61.33 H ATOM 75 HB3 GLN A 6 -6.410 -3.984 4.122 1.00 21.23 H ATOM 76 HG2 GLN A 6 -6.060 -6.022 3.242 1.00 41.30 H ATOM 77 HG3 GLN A 6 -7.640 -5.730 2.517 1.00 32.22 H ATOM 78 HE21 GLN A 6 -4.293 -6.174 1.966 1.00 31.35 H ATOM 79 HE22 GLN A 6 -4.333 -6.086 0.242 1.00 50.43 H ATOM 80 N THR A 7 -6.700 -1.016 3.318 1.00 62.30 N ATOM 81 CA THR A 7 -6.626 0.272 4.030 1.00 63.34 C ATOM 82 C THR A 7 -5.528 1.159 3.453 1.00 63.20 C ATOM 83 O THR A 7 -4.600 0.580 2.913 1.00 13.33 O ATOM 84 CB THR A 7 -6.426 -0.009 5.555 1.00 62.31 C ATOM 85 OG1 THR A 7 -7.240 0.836 6.388 1.00 1.11 O ATOM 86 CG2 THR A 7 -4.956 0.163 6.013 1.00 15.35 C ATOM 87 H THR A 7 -5.893 -1.272 2.791 1.00 21.43 H ATOM 88 HA THR A 7 -7.582 0.790 3.860 1.00 45.30 H ATOM 89 HB THR A 7 -6.712 -1.052 5.782 1.00 0.12 H ATOM 90 HG1 THR A 7 -8.172 0.732 6.228 1.00 12.12 H ATOM 91 HG21 THR A 7 -4.293 -0.490 5.425 1.00 21.13 H ATOM 92 HG22 THR A 7 -4.872 -0.105 7.077 1.00 61.43 H ATOM 93 HG23 THR A 7 -4.628 1.208 5.900 1.00 25.44 H ATOM 94 N PRO A 8 -5.552 2.521 3.522 1.00 75.43 N ATOM 95 CA PRO A 8 -4.520 3.325 2.867 1.00 44.12 C ATOM 96 C PRO A 8 -3.146 3.110 3.464 1.00 22.25 C ATOM 97 O PRO A 8 -2.989 3.420 4.634 1.00 51.41 O ATOM 98 CB PRO A 8 -5.051 4.759 3.134 1.00 51.33 C ATOM 99 CG PRO A 8 -5.912 4.613 4.407 1.00 30.43 C ATOM 100 CD PRO A 8 -6.614 3.251 4.199 1.00 34.11 C ATOM 101 HA PRO A 8 -4.518 3.187 1.779 1.00 20.34 H ATOM 102 HB2 PRO A 8 -4.249 5.509 3.237 1.00 74.44 H ATOM 103 HB3 PRO A 8 -5.720 5.076 2.314 1.00 23.34 H ATOM 104 HG2 PRO A 8 -5.251 4.558 5.287 1.00 22.35 H ATOM 105 HG3 PRO A 8 -6.623 5.443 4.549 1.00 21.12 H ATOM 106 HD2 PRO A 8 -6.919 2.845 5.170 1.00 44.11 H ATOM 107 HD3 PRO A 8 -7.486 3.348 3.533 1.00 1.00 H ATOM 108 N ASP A 9 -2.142 2.603 2.699 1.00 21.00 N ATOM 109 CA ASP A 9 -0.788 2.482 3.243 1.00 72.52 C ATOM 110 C ASP A 9 -0.068 3.802 3.096 1.00 3.22 C ATOM 111 O ASP A 9 0.435 4.317 4.082 1.00 11.21 O ATOM 112 CB ASP A 9 0.024 1.296 2.644 1.00 12.11 C ATOM 113 CG ASP A 9 0.528 1.317 1.212 1.00 43.30 C ATOM 114 OD1 ASP A 9 0.148 2.236 0.439 1.00 20.45 O ATOM 115 H ASP A 9 -2.280 2.351 1.741 1.00 0.30 H ATOM 116 HA ASP A 9 -0.868 2.257 4.322 1.00 1.11 H ATOM 117 HB2 ASP A 9 0.915 1.156 3.278 1.00 0.35 H ATOM 118 HB3 ASP A 9 -0.621 0.421 2.765 1.00 71.03 H ATOM 119 N ALA A 10 -0.024 4.368 1.869 1.00 30.32 N ATOM 120 CA ALA A 10 0.641 5.651 1.661 1.00 44.21 C ATOM 121 C ALA A 10 0.166 6.223 0.340 1.00 13.44 C ATOM 122 O ALA A 10 -0.643 7.138 0.376 1.00 2.15 O ATOM 123 CB ALA A 10 2.183 5.507 1.751 1.00 62.22 C ATOM 124 H ALA A 10 -0.439 3.911 1.081 1.00 0.13 H ATOM 125 HA ALA A 10 0.327 6.353 2.454 1.00 33.14 H ATOM 126 HB1 ALA A 10 2.544 4.684 1.117 1.00 64.32 H ATOM 127 HB2 ALA A 10 2.669 6.443 1.436 1.00 12.21 H ATOM 128 HB3 ALA A 10 2.488 5.288 2.786 1.00 22.35 H ATOM 129 N ARG A 11 0.625 5.697 -0.823 1.00 11.43 N ATOM 130 CA ARG A 11 0.089 6.153 -2.109 1.00 42.32 C ATOM 131 C ARG A 11 -1.067 5.274 -2.557 1.00 12.41 C ATOM 132 O ARG A 11 -1.934 5.781 -3.253 1.00 30.02 O ATOM 133 CB ARG A 11 1.194 6.151 -3.206 1.00 5.43 C ATOM 134 CG ARG A 11 0.971 7.267 -4.273 1.00 60.23 C ATOM 135 CD ARG A 11 1.491 6.853 -5.679 1.00 41.51 C ATOM 136 NE ARG A 11 0.559 5.936 -6.345 1.00 72.45 N ATOM 137 CZ ARG A 11 0.756 5.439 -7.548 1.00 35.33 C ATOM 138 NH1 ARG A 11 1.832 5.697 -8.256 1.00 31.11 N ATOM 139 NH2 ARG A 11 -0.162 4.655 -8.067 1.00 2.44 N ATOM 140 H ARG A 11 1.293 4.953 -0.835 1.00 35.32 H ATOM 141 HA ARG A 11 -0.261 7.192 -1.997 1.00 55.43 H ATOM 142 HB2 ARG A 11 2.178 6.322 -2.739 1.00 24.32 H ATOM 143 HB3 ARG A 11 1.235 5.157 -3.675 1.00 15.51 H ATOM 144 HG2 ARG A 11 -0.095 7.525 -4.368 1.00 11.31 H ATOM 145 HG3 ARG A 11 1.493 8.181 -3.940 1.00 45.03 H ATOM 146 HD2 ARG A 11 1.572 7.767 -6.292 1.00 45.52 H ATOM 147 HD3 ARG A 11 2.489 6.402 -5.564 1.00 11.45 H ATOM 148 HE ARG A 11 -0.306 5.690 -5.840 1.00 15.54 H ATOM 149 HH11 ARG A 11 2.580 6.305 -7.902 1.00 62.21 H ATOM 150 HH12 ARG A 11 1.953 5.293 -9.197 1.00 72.34 H ATOM 151 HH21 ARG A 11 -1.028 4.433 -7.555 1.00 25.14 H ATOM 152 HH22 ARG A 11 -0.045 4.247 -9.007 1.00 55.51 H ATOM 153 N VAL A 12 -1.095 3.967 -2.187 1.00 64.14 N ATOM 154 CA VAL A 12 -2.155 3.052 -2.621 1.00 23.55 C ATOM 155 C VAL A 12 -2.728 2.375 -1.391 1.00 5.15 C ATOM 156 O VAL A 12 -2.419 2.829 -0.300 1.00 63.32 O ATOM 157 CB VAL A 12 -1.613 2.088 -3.720 1.00 13.24 C ATOM 158 CG1 VAL A 12 -1.089 2.874 -4.949 1.00 14.23 C ATOM 159 CG2 VAL A 12 -0.503 1.166 -3.164 1.00 41.32 C ATOM 160 H VAL A 12 -0.386 3.572 -1.606 1.00 62.35 H ATOM 161 HA VAL A 12 -3.008 3.599 -3.054 1.00 51.43 H ATOM 162 HB VAL A 12 -2.429 1.456 -4.105 1.00 31.23 H ATOM 163 HG11 VAL A 12 -0.221 3.488 -4.673 1.00 53.31 H ATOM 164 HG12 VAL A 12 -0.780 2.184 -5.750 1.00 34.25 H ATOM 165 HG13 VAL A 12 -1.883 3.529 -5.336 1.00 4.33 H ATOM 166 HG21 VAL A 12 -0.842 0.670 -2.243 1.00 5.32 H ATOM 167 HG22 VAL A 12 -0.249 0.396 -3.910 1.00 51.23 H ATOM 168 HG23 VAL A 12 0.399 1.755 -2.941 1.00 43.51 H ATOM 169 N ILE A 13 -3.577 1.326 -1.529 1.00 70.02 N ATOM 170 CA ILE A 13 -4.352 0.815 -0.400 1.00 63.52 C ATOM 171 C ILE A 13 -3.916 -0.609 -0.117 1.00 71.31 C ATOM 172 O ILE A 13 -4.078 -1.425 -1.010 1.00 50.15 O ATOM 173 CB ILE A 13 -5.855 0.968 -0.784 1.00 4.14 C ATOM 174 CG1 ILE A 13 -6.205 2.324 -1.486 1.00 34.33 C ATOM 175 CG2 ILE A 13 -6.821 0.696 0.398 1.00 22.30 C ATOM 176 CD1 ILE A 13 -6.594 2.131 -2.980 1.00 71.44 C ATOM 177 H ILE A 13 -3.776 0.912 -2.413 1.00 64.30 H ATOM 178 HA ILE A 13 -4.192 1.412 0.494 1.00 22.24 H ATOM 179 HB ILE A 13 -6.004 0.166 -1.505 1.00 54.53 H ATOM 180 HG12 ILE A 13 -7.065 2.805 -0.994 1.00 24.21 H ATOM 181 HG13 ILE A 13 -5.372 3.041 -1.420 1.00 23.02 H ATOM 182 HG21 ILE A 13 -7.867 0.719 0.057 1.00 62.23 H ATOM 183 HG22 ILE A 13 -6.625 -0.296 0.822 1.00 61.43 H ATOM 184 HG23 ILE A 13 -6.697 1.468 1.169 1.00 23.35 H ATOM 185 HD11 ILE A 13 -5.779 1.660 -3.549 1.00 14.43 H ATOM 186 HD12 ILE A 13 -7.488 1.492 -3.058 1.00 61.10 H ATOM 187 HD13 ILE A 13 -6.822 3.102 -3.447 1.00 35.41 H ATOM 188 N SER A 14 -3.352 -0.929 1.079 1.00 10.24 N ATOM 189 CA SER A 14 -2.769 -2.252 1.318 1.00 52.24 C ATOM 190 C SER A 14 -3.185 -2.861 2.632 1.00 51.53 C ATOM 191 O SER A 14 -3.845 -2.194 3.413 1.00 53.14 O ATOM 192 CB SER A 14 -1.233 -2.120 1.443 1.00 22.42 C ATOM 193 OG SER A 14 -0.624 -3.412 1.277 1.00 63.42 O ATOM 194 H SER A 14 -3.253 -0.254 1.812 1.00 4.44 H ATOM 195 HA SER A 14 -3.015 -2.955 0.507 1.00 73.55 H ATOM 196 HB2 SER A 14 -0.888 -1.385 0.704 1.00 14.25 H ATOM 197 HB3 SER A 14 -0.967 -1.755 2.446 1.00 72.43 H ATOM 198 HG SER A 14 0.315 -3.409 1.428 1.00 63.41 H ATOM 199 N ARG A 15 -2.759 -4.124 2.880 1.00 71.05 N ATOM 200 CA ARG A 15 -3.080 -4.775 4.143 1.00 53.41 C ATOM 201 C ARG A 15 -2.761 -3.858 5.295 1.00 33.42 C ATOM 202 O ARG A 15 -1.730 -3.205 5.260 1.00 60.44 O ATOM 203 CB ARG A 15 -2.507 -6.201 4.416 1.00 75.54 C ATOM 204 CG ARG A 15 -0.985 -6.318 4.718 1.00 24.11 C ATOM 205 CD ARG A 15 -0.066 -6.109 3.481 1.00 35.35 C ATOM 206 NE ARG A 15 -0.468 -6.919 2.321 1.00 40.35 N ATOM 207 CZ ARG A 15 -0.233 -8.209 2.185 1.00 32.13 C ATOM 208 NH1 ARG A 15 0.419 -8.927 3.071 1.00 14.25 N ATOM 209 NH2 ARG A 15 -0.672 -8.813 1.102 1.00 13.33 N ATOM 210 H ARG A 15 -2.253 -4.632 2.188 1.00 31.33 H ATOM 211 HA ARG A 15 -4.168 -4.906 4.105 1.00 61.31 H ATOM 212 HB2 ARG A 15 -3.029 -6.583 5.311 1.00 2.05 H ATOM 213 HB3 ARG A 15 -2.753 -6.876 3.583 1.00 12.24 H ATOM 214 HG2 ARG A 15 -0.704 -5.616 5.520 1.00 11.43 H ATOM 215 HG3 ARG A 15 -0.810 -7.332 5.109 1.00 54.31 H ATOM 216 HD2 ARG A 15 -0.138 -5.043 3.224 1.00 54.11 H ATOM 217 HD3 ARG A 15 0.994 -6.271 3.733 1.00 74.34 H ATOM 218 HE ARG A 15 -0.952 -6.427 1.554 1.00 0.34 H ATOM 219 HH11 ARG A 15 0.803 -8.514 3.928 1.00 10.04 H ATOM 220 HH12 ARG A 15 0.575 -9.936 2.923 1.00 14.10 H ATOM 221 HH21 ARG A 15 -1.193 -8.299 0.374 1.00 34.42 H ATOM 222 HH22 ARG A 15 -0.512 -9.820 0.951 1.00 33.11 H ATOM 223 N PHE A 16 -3.642 -3.806 6.319 1.00 32.44 N ATOM 224 CA PHE A 16 -3.317 -3.027 7.508 1.00 24.22 C ATOM 225 C PHE A 16 -1.978 -3.464 8.095 1.00 22.43 C ATOM 226 O PHE A 16 -1.658 -4.652 8.122 1.00 5.15 O ATOM 227 CB PHE A 16 -4.419 -3.175 8.559 1.00 54.25 C ATOM 228 CG PHE A 16 -4.457 -4.532 9.201 1.00 15.11 C ATOM 229 CD1 PHE A 16 -5.185 -5.563 8.630 1.00 35.21 C ATOM 230 CD2 PHE A 16 -3.766 -4.776 10.377 1.00 43.05 C ATOM 231 CE1 PHE A 16 -5.222 -6.813 9.219 1.00 73.34 C ATOM 232 CE2 PHE A 16 -3.798 -6.024 10.969 1.00 35.13 C ATOM 233 CZ PHE A 16 -4.529 -7.044 10.390 1.00 4.43 C ATOM 234 H PHE A 16 -4.473 -4.327 6.301 1.00 23.24 H ATOM 235 HA PHE A 16 -3.247 -1.991 7.215 1.00 25.04 H ATOM 236 HB2 PHE A 16 -4.265 -2.444 9.338 1.00 42.33 H ATOM 237 HB3 PHE A 16 -5.377 -3.000 8.091 1.00 21.34 H ATOM 238 HD1 PHE A 16 -5.729 -5.384 7.713 1.00 51.21 H ATOM 239 HD2 PHE A 16 -3.195 -3.980 10.831 1.00 11.52 H ATOM 240 HE1 PHE A 16 -5.794 -7.608 8.763 1.00 33.00 H ATOM 241 HE2 PHE A 16 -3.255 -6.202 11.886 1.00 54.54 H ATOM 242 HZ PHE A 16 -4.556 -8.020 10.851 1.00 5.44 H ATOM 243 N GLY A 17 -1.170 -2.513 8.625 1.00 24.32 N ATOM 244 CA GLY A 17 0.111 -2.884 9.225 1.00 53.03 C ATOM 245 C GLY A 17 0.466 -1.909 10.321 1.00 65.51 C ATOM 246 O GLY A 17 0.190 -2.202 11.474 1.00 34.42 O ATOM 247 H GLY A 17 -1.412 -1.540 8.602 1.00 10.21 H ATOM 248 HA2 GLY A 17 0.076 -3.890 9.674 1.00 70.40 H ATOM 249 HA3 GLY A 17 0.890 -2.893 8.447 1.00 1.20 H ATOM 250 N PHE A 18 1.070 -0.746 9.976 1.00 11.33 N ATOM 251 CA PHE A 18 1.501 0.208 10.997 1.00 34.40 C ATOM 252 C PHE A 18 1.409 1.616 10.456 1.00 24.24 C ATOM 253 O PHE A 18 1.116 1.757 9.279 1.00 2.53 O ATOM 254 CB PHE A 18 2.964 -0.131 11.386 1.00 31.22 C ATOM 255 CG PHE A 18 3.061 -1.622 11.738 1.00 50.14 C ATOM 256 CD1 PHE A 18 2.717 -2.065 13.020 1.00 42.35 C ATOM 257 CD2 PHE A 18 3.478 -2.551 10.778 1.00 62.11 C ATOM 258 CE1 PHE A 18 2.770 -3.427 13.333 1.00 23.32 C ATOM 259 CE2 PHE A 18 3.534 -3.913 11.091 1.00 73.52 C ATOM 260 CZ PHE A 18 3.176 -4.352 12.368 1.00 61.42 C ATOM 261 H PHE A 18 1.285 -0.538 9.019 1.00 72.21 H ATOM 262 HA PHE A 18 0.855 0.150 11.889 1.00 23.42 H ATOM 263 HB2 PHE A 18 3.627 0.099 10.537 1.00 42.12 H ATOM 264 HB3 PHE A 18 3.298 0.473 12.244 1.00 24.41 H ATOM 265 HD1 PHE A 18 2.403 -1.353 13.776 1.00 32.23 H ATOM 266 HD2 PHE A 18 3.757 -2.223 9.782 1.00 22.42 H ATOM 267 HE1 PHE A 18 2.494 -3.766 14.327 1.00 34.10 H ATOM 268 HE2 PHE A 18 3.856 -4.629 10.340 1.00 21.44 H ATOM 269 HZ PHE A 18 3.214 -5.410 12.610 1.00 53.00 H ATOM 270 N ASN A 19 1.653 2.652 11.293 1.00 12.53 N ATOM 271 CA ASN A 19 1.626 4.034 10.812 1.00 32.33 C ATOM 272 C ASN A 19 0.261 4.374 10.261 1.00 32.34 C ATOM 273 O ASN A 19 -0.631 4.818 10.965 1.00 31.01 O ATOM 274 CB ASN A 19 2.771 4.310 9.800 1.00 33.22 C ATOM 275 CG ASN A 19 4.134 3.975 10.363 1.00 54.20 C ATOM 276 OD1 ASN A 19 4.234 3.542 11.501 1.00 25.45 O ATOM 277 ND2 ASN A 19 5.212 4.168 9.571 1.00 62.35 N ATOM 278 OXT ASN A 19 0.067 4.172 8.960 1.00 0.00 O ATOM 279 H ASN A 19 1.874 2.490 12.258 1.00 52.43 H ATOM 280 HA ASN A 19 1.795 4.717 11.664 1.00 14.12 H ATOM 281 HB2 ASN A 19 2.629 3.715 8.886 1.00 34.32 H ATOM 282 HB3 ASN A 19 2.754 5.376 9.519 1.00 64.22 H ATOM 283 HD21 ASN A 19 5.112 4.523 8.640 1.00 71.33 H ATOM 284 HD22 ASN A 19 6.128 3.955 9.915 1.00 64.23 H TER 285 ASN A 19 ENDMDL CONECT 1 113 CONECT 113 1 MASTER 179 0 0 0 2 0 0 6 146 1 2 2 END