HEADER ANTIMICROBIAL PROTEIN 20-OCT-09 SMS20105 TITLE SOLUTION STRUCTURE OF BI-32169 COMPND MOL_ID: 1; COMPND 2 MOLECULE: BI-32169; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES; COMPND 5 OTHER_DETAILS: BICYCLIC PEPTIDE SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 ORGANISM_SCIENTIFIC: STREPTOMYCES SP.; SOURCE 4 ORGANISM_TAXID: 1931; SOURCE 5 OTHER_DETAILS: PEPTIDE WAS PURIFIED FROM THE MYCELIUM OF SOURCE 6 STREPTOMYCES SP. (DSM 14996), WHICH WAS PURCHASED FROM THE GERMAN SOURCE 7 COLLECTION OF MICROORGANISMS AND CELL CULTURES (DSMZ). KEYWDS LASSO PEPTIDE, ISOPEPTIDE BOND, DISULFIDE BRIDGE, GLUCAGON RECEPTOR, KEYWDS 2 ANTAGONIST, ANTIMICROBIAL PROTEIN EXPDTA SOLUTION NMR NUMMDL 15 AUTHOR T.A.KNAPPE,U.LINNE,X.XIE,M.A.MARAHIEL JRNL AUTH T.A.KNAPPE,U.LINNE,X.XIE,M.A.MARAHIEL JRNL TITL THE GLUCAGON RECEPTOR ANTAGONIST BI-32169 CONSTITUTES A NEW JRNL TITL 2 CLASS OF LASSO PEPTIDES JRNL REF FEBS LETT. V. 584 785 2010 JRNL REFN ISSN 0014-5793 JRNL PMID 20043911 JRNL DOI 10.1016/J.FEBSLET.2009.12.046 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: NULL 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 27-OCT-10. REMARK 100 THE BMRB ID CODE IS SMS20105. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 313 REMARK 210 PH : NULL REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : 3-5 MM BI-32169; DMSO REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D DQF-COSY; 2D 1H-1H TOCSY; 2D REMARK 210 1H-1H NOESY 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 : SPARKY, CYANA 2.1, TRIAD REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 50 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 15 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 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 2 TRP A 13 CE2 - CD2 - CG ANGL. DEV. = -4.9 DEGREES REMARK 500 3 TRP A 13 CE2 - CD2 - CG ANGL. DEV. = -4.9 DEGREES REMARK 500 4 TRP A 13 CE2 - CD2 - CG ANGL. DEV. = -4.9 DEGREES REMARK 500 5 TRP A 13 CE2 - CD2 - CG ANGL. DEV. = -4.8 DEGREES REMARK 500 6 TRP A 13 CE2 - CD2 - CG ANGL. DEV. = -4.8 DEGREES REMARK 500 7 TRP A 13 CE2 - CD2 - CG ANGL. DEV. = -4.8 DEGREES REMARK 500 8 TRP A 4 CE2 - CD2 - CG ANGL. DEV. = -4.8 DEGREES REMARK 500 8 TRP A 13 CE2 - CD2 - CG ANGL. DEV. = -4.8 DEGREES REMARK 500 8 TRP A 17 CE2 - CD2 - CG ANGL. DEV. = -4.8 DEGREES REMARK 500 9 TRP A 13 CE2 - CD2 - CG ANGL. DEV. = -4.8 DEGREES REMARK 500 10 TRP A 13 CE2 - CD2 - CG ANGL. DEV. = -4.9 DEGREES REMARK 500 10 TRP A 17 CE2 - CD2 - CG ANGL. DEV. = -4.8 DEGREES REMARK 500 11 TRP A 13 CE2 - CD2 - CG ANGL. DEV. = -4.8 DEGREES REMARK 500 12 TRP A 13 CE2 - CD2 - CG ANGL. DEV. = -4.8 DEGREES REMARK 500 12 TRP A 17 CE2 - CD2 - CG ANGL. DEV. = -4.8 DEGREES REMARK 500 13 TRP A 13 CE2 - CD2 - CG ANGL. DEV. = -4.9 DEGREES REMARK 500 14 TRP A 13 CE2 - CD2 - CG ANGL. DEV. = -4.9 DEGREES REMARK 500 14 TRP A 17 CE2 - CD2 - CG ANGL. DEV. = -4.8 DEGREES REMARK 500 15 TRP A 13 CE2 - CD2 - CG ANGL. DEV. = -4.9 DEGREES REMARK 500 15 TRP A 17 CE2 - CD2 - CG ANGL. DEV. = -5.0 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 1 TRP A 4 77.91 177.34 REMARK 500 1 SER A 8 -58.75 -171.62 REMARK 500 1 ASP A 9 -172.99 -67.08 REMARK 500 1 ILE A 10 147.49 -29.38 REMARK 500 1 TRP A 13 -131.40 -147.71 REMARK 500 2 TRP A 4 78.01 177.48 REMARK 500 2 SER A 8 -57.53 -169.88 REMARK 500 2 ASP A 9 -168.76 -72.60 REMARK 500 2 ILE A 10 144.46 -35.55 REMARK 500 2 TRP A 13 -133.01 -148.99 REMARK 500 3 TRP A 4 78.02 177.55 REMARK 500 3 SER A 8 -57.38 -171.59 REMARK 500 3 ASP A 9 -168.53 -74.11 REMARK 500 3 ILE A 10 144.59 -35.73 REMARK 500 3 TRP A 13 -132.75 -148.96 REMARK 500 4 TRP A 4 77.65 177.77 REMARK 500 4 SER A 8 -48.66 -165.44 REMARK 500 4 ASP A 9 -167.01 -78.55 REMARK 500 4 ILE A 10 145.05 -35.85 REMARK 500 4 TRP A 13 -132.66 -148.67 REMARK 500 5 TRP A 4 77.86 177.56 REMARK 500 5 SER A 8 -57.52 -170.75 REMARK 500 5 ASP A 9 -168.60 -73.55 REMARK 500 5 ILE A 10 144.56 -35.62 REMARK 500 5 TRP A 13 -132.76 -149.08 REMARK 500 6 TRP A 4 77.69 177.52 REMARK 500 6 SER A 8 -48.84 -165.09 REMARK 500 6 ASP A 9 -167.15 -78.90 REMARK 500 6 ILE A 10 144.84 -35.45 REMARK 500 6 TRP A 13 -132.87 -148.81 REMARK 500 7 TRP A 4 77.72 177.74 REMARK 500 7 SER A 8 -58.11 -175.24 REMARK 500 7 ASP A 9 -168.98 -73.27 REMARK 500 7 ILE A 10 144.84 -35.38 REMARK 500 7 TRP A 13 -132.83 -148.77 REMARK 500 8 TRP A 4 78.30 177.00 REMARK 500 8 SER A 8 -57.20 -166.85 REMARK 500 8 ASP A 9 -174.57 -64.27 REMARK 500 8 ILE A 10 146.96 -28.46 REMARK 500 8 TRP A 13 -131.97 -148.33 REMARK 500 9 TRP A 4 77.83 177.35 REMARK 500 9 SER A 8 -49.82 -161.64 REMARK 500 9 ILE A 10 147.78 -29.39 REMARK 500 9 TRP A 13 -131.02 -147.82 REMARK 500 10 TRP A 4 77.01 177.51 REMARK 500 10 SER A 8 -59.45 -169.95 REMARK 500 10 ASP A 9 -173.59 -65.07 REMARK 500 10 ILE A 10 147.28 -28.46 REMARK 500 10 TRP A 13 -131.53 -148.15 REMARK 500 11 TRP A 4 77.90 177.31 REMARK 500 REMARK 500 THIS ENTRY HAS 72 RAMACHANDRAN OUTLIERS. REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 20105 RELATED DB: BMRB REMARK 900 RELATED ID: 20014 RELATED DB: BMRB REMARK 900 CAPISTRUIN REMARK 900 RELATED ID: 3NJW RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF BI-32169 DBREF A 1 19 BMRB SMS20105 SMS20105 1 19 SEQRES 1 A 19 GLY LEU PRO TRP GLY CYS PRO SER ASP ILE PRO GLY TRP SEQRES 2 A 19 ASN THR PRO TRP ALA CYS SSBOND 1 CYS A 6 CYS A 19 1555 1555 2.03 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 1.778 0.691 -0.338 1.00 11.13 N ATOM 2 CA GLY A 1 1.275 -0.640 -0.663 1.00 20.03 C ATOM 3 C GLY A 1 2.200 -1.563 -1.423 1.00 62.33 C ATOM 4 O GLY A 1 2.245 -1.467 -2.640 1.00 11.21 O ATOM 5 H1 GLY A 1 2.558 1.059 -0.852 1.00 10.25 H ATOM 6 HA2 GLY A 1 0.961 -1.153 0.259 1.00 4.21 H ATOM 7 HA3 GLY A 1 0.371 -0.524 -1.281 1.00 72.05 H ATOM 8 N LEU A 2 2.899 -2.490 -0.722 1.00 42.52 N ATOM 9 CA LEU A 2 3.510 -3.658 -1.364 1.00 22.20 C ATOM 10 C LEU A 2 2.745 -4.848 -0.801 1.00 34.35 C ATOM 11 O LEU A 2 2.240 -4.679 0.295 1.00 22.32 O ATOM 12 CB LEU A 2 5.024 -3.817 -1.010 1.00 65.54 C ATOM 13 CG LEU A 2 5.772 -2.516 -0.590 1.00 0.54 C ATOM 14 CD1 LEU A 2 7.229 -2.849 -0.162 1.00 40.34 C ATOM 15 CD2 LEU A 2 5.797 -1.443 -1.708 1.00 24.51 C ATOM 16 H LEU A 2 2.908 -2.476 0.278 1.00 4.11 H ATOM 17 HA LEU A 2 3.388 -3.614 -2.457 1.00 12.14 H ATOM 18 HB2 LEU A 2 5.103 -4.497 -0.147 1.00 12.00 H ATOM 19 HB3 LEU A 2 5.553 -4.284 -1.856 1.00 32.34 H ATOM 20 HG LEU A 2 5.271 -2.079 0.287 1.00 3.45 H ATOM 21 HD11 LEU A 2 7.743 -1.942 0.192 1.00 35.43 H ATOM 22 HD12 LEU A 2 7.799 -3.265 -1.007 1.00 63.43 H ATOM 23 HD13 LEU A 2 7.234 -3.584 0.656 1.00 13.34 H ATOM 24 HD21 LEU A 2 4.779 -1.154 -2.001 1.00 44.10 H ATOM 25 HD22 LEU A 2 6.325 -1.826 -2.594 1.00 44.11 H ATOM 26 HD23 LEU A 2 6.315 -0.540 -1.348 1.00 74.24 H ATOM 27 N PRO A 3 2.596 -6.058 -1.394 1.00 2.33 N ATOM 28 CA PRO A 3 1.896 -7.134 -0.689 1.00 31.34 C ATOM 29 C PRO A 3 2.763 -7.782 0.375 1.00 13.03 C ATOM 30 O PRO A 3 3.009 -8.973 0.289 1.00 14.52 O ATOM 31 CB PRO A 3 1.543 -8.026 -1.906 1.00 34.33 C ATOM 32 CG PRO A 3 2.750 -7.830 -2.850 1.00 24.13 C ATOM 33 CD PRO A 3 3.064 -6.318 -2.745 1.00 5.24 C ATOM 34 HA PRO A 3 0.967 -6.822 -0.187 1.00 74.41 H ATOM 35 HB2 PRO A 3 1.353 -9.079 -1.641 1.00 61.32 H ATOM 36 HB3 PRO A 3 0.646 -7.623 -2.408 1.00 22.10 H ATOM 37 HG2 PRO A 3 3.591 -8.406 -2.441 1.00 55.15 H ATOM 38 HG3 PRO A 3 2.555 -8.167 -3.881 1.00 61.14 H ATOM 39 HD2 PRO A 3 4.135 -6.107 -2.890 1.00 3.21 H ATOM 40 HD3 PRO A 3 2.456 -5.747 -3.466 1.00 5.24 H ATOM 41 N TRP A 4 3.210 -7.008 1.397 1.00 14.13 N ATOM 42 CA TRP A 4 4.007 -7.558 2.498 1.00 44.02 C ATOM 43 C TRP A 4 4.398 -6.421 3.433 1.00 14.34 C ATOM 44 O TRP A 4 5.526 -5.958 3.368 1.00 65.44 O ATOM 45 CB TRP A 4 5.236 -8.393 2.014 1.00 24.24 C ATOM 46 CG TRP A 4 5.831 -7.928 0.708 1.00 21.32 C ATOM 47 CD1 TRP A 4 6.479 -6.775 0.469 1.00 32.33 C ATOM 48 CD2 TRP A 4 5.820 -8.693 -0.597 1.00 42.33 C ATOM 49 NE1 TRP A 4 6.826 -6.716 -0.790 1.00 34.43 N ATOM 50 CE2 TRP A 4 6.436 -7.815 -1.467 1.00 31.25 C ATOM 51 CE3 TRP A 4 5.374 -9.947 -1.016 1.00 64.12 C ATOM 52 CZ2 TRP A 4 6.588 -8.108 -2.822 1.00 44.04 C ATOM 53 CZ3 TRP A 4 5.535 -10.263 -2.373 1.00 22.44 C ATOM 54 CH2 TRP A 4 6.122 -9.351 -3.263 1.00 71.43 C ATOM 55 H TRP A 4 2.949 -6.042 1.447 1.00 45.02 H ATOM 56 HA TRP A 4 3.363 -8.230 3.090 1.00 74.14 H ATOM 57 HB2 TRP A 4 6.025 -8.399 2.784 1.00 21.34 H ATOM 58 HB3 TRP A 4 4.936 -9.443 1.871 1.00 54.30 H ATOM 59 HD1 TRP A 4 6.690 -5.998 1.202 1.00 32.21 H ATOM 60 HE1 TRP A 4 7.341 -5.930 -1.212 1.00 44.13 H ATOM 61 HE3 TRP A 4 4.923 -10.653 -0.327 1.00 0.15 H ATOM 62 HZ2 TRP A 4 7.048 -7.398 -3.503 1.00 5.32 H ATOM 63 HZ3 TRP A 4 5.195 -11.227 -2.740 1.00 50.00 H ATOM 64 HH2 TRP A 4 6.215 -9.615 -4.313 1.00 75.40 H ATOM 65 N GLY A 5 3.483 -5.933 4.312 1.00 73.13 N ATOM 66 CA GLY A 5 3.828 -4.786 5.156 1.00 21.12 C ATOM 67 C GLY A 5 2.746 -4.393 6.148 1.00 72.32 C ATOM 68 O GLY A 5 2.344 -5.248 6.919 1.00 42.12 O ATOM 69 H GLY A 5 2.566 -6.330 4.384 1.00 1.02 H ATOM 70 HA2 GLY A 5 4.723 -5.026 5.750 1.00 3.25 H ATOM 71 HA3 GLY A 5 4.083 -3.948 4.489 1.00 53.11 H ATOM 72 N CYS A 6 2.276 -3.118 6.153 1.00 24.43 N ATOM 73 CA CYS A 6 1.322 -2.624 7.150 1.00 31.41 C ATOM 74 C CYS A 6 0.297 -1.715 6.499 1.00 23.15 C ATOM 75 O CYS A 6 0.629 -1.203 5.442 1.00 33.25 O ATOM 76 CB CYS A 6 2.110 -1.710 8.123 1.00 23.21 C ATOM 77 SG CYS A 6 3.492 -2.572 8.920 1.00 4.14 S ATOM 78 H CYS A 6 2.617 -2.446 5.501 1.00 61.05 H ATOM 79 HA CYS A 6 0.835 -3.452 7.689 1.00 32.31 H ATOM 80 HB2 CYS A 6 2.522 -0.857 7.566 1.00 4.04 H ATOM 81 HB3 CYS A 6 1.468 -1.316 8.921 1.00 1.34 H ATOM 82 N PRO A 7 -0.916 -1.443 7.050 1.00 31.03 N ATOM 83 CA PRO A 7 -1.820 -0.502 6.394 1.00 62.50 C ATOM 84 C PRO A 7 -1.291 0.916 6.480 1.00 72.34 C ATOM 85 O PRO A 7 -1.153 1.412 7.586 1.00 63.44 O ATOM 86 CB PRO A 7 -3.094 -0.700 7.258 1.00 63.45 C ATOM 87 CG PRO A 7 -2.560 -1.142 8.640 1.00 21.42 C ATOM 88 CD PRO A 7 -1.390 -2.081 8.274 1.00 2.15 C ATOM 89 HA PRO A 7 -2.024 -0.792 5.351 1.00 54.11 H ATOM 90 HB2 PRO A 7 -3.727 0.201 7.307 1.00 45.21 H ATOM 91 HB3 PRO A 7 -3.693 -1.531 6.848 1.00 53.21 H ATOM 92 HG2 PRO A 7 -2.175 -0.265 9.184 1.00 33.42 H ATOM 93 HG3 PRO A 7 -3.325 -1.632 9.265 1.00 23.11 H ATOM 94 HD2 PRO A 7 -0.671 -2.132 9.103 1.00 50.44 H ATOM 95 HD3 PRO A 7 -1.764 -3.091 8.045 1.00 42.21 H ATOM 96 N SER A 8 -1.000 1.593 5.340 1.00 42.15 N ATOM 97 CA SER A 8 -0.505 2.971 5.397 1.00 75.12 C ATOM 98 C SER A 8 -0.437 3.609 4.017 1.00 24.23 C ATOM 99 O SER A 8 -1.075 4.629 3.806 1.00 22.22 O ATOM 100 CB SER A 8 0.897 3.041 6.064 1.00 61.15 C ATOM 101 OG SER A 8 1.793 2.091 5.472 1.00 12.32 O ATOM 102 H SER A 8 -1.119 1.165 4.441 1.00 42.22 H ATOM 103 HA SER A 8 -1.206 3.569 6.005 1.00 32.12 H ATOM 104 HB2 SER A 8 1.317 4.049 5.923 1.00 63.22 H ATOM 105 HB3 SER A 8 0.842 2.854 7.149 1.00 72.32 H ATOM 106 HG SER A 8 1.528 1.189 5.621 1.00 52.23 H ATOM 107 N ASP A 9 0.328 3.030 3.061 1.00 43.23 N ATOM 108 CA ASP A 9 0.402 3.591 1.703 1.00 55.24 C ATOM 109 C ASP A 9 -0.948 3.439 1.027 1.00 65.01 C ATOM 110 O ASP A 9 -1.883 3.007 1.683 1.00 53.31 O ATOM 111 CB ASP A 9 1.495 2.865 0.855 1.00 41.23 C ATOM 112 CG ASP A 9 1.104 1.425 0.584 1.00 13.34 C ATOM 113 OD1 ASP A 9 0.169 0.956 1.217 1.00 2.24 O ATOM 114 H ASP A 9 0.831 2.192 3.271 1.00 24.31 H ATOM 115 HA ASP A 9 0.655 4.662 1.767 1.00 5.42 H ATOM 116 HB2 ASP A 9 1.660 3.364 -0.110 1.00 12.34 H ATOM 117 HB3 ASP A 9 2.450 2.933 1.392 1.00 55.54 H ATOM 118 N ILE A 10 -1.050 3.764 -0.285 1.00 55.05 N ATOM 119 CA ILE A 10 -2.240 3.455 -1.083 1.00 54.53 C ATOM 120 C ILE A 10 -2.977 2.212 -0.605 1.00 61.42 C ATOM 121 O ILE A 10 -2.321 1.300 -0.127 1.00 12.23 O ATOM 122 CB ILE A 10 -1.862 3.221 -2.585 1.00 62.13 C ATOM 123 CG1 ILE A 10 -0.633 2.267 -2.717 1.00 21.14 C ATOM 124 CG2 ILE A 10 -1.626 4.562 -3.340 1.00 22.42 C ATOM 125 CD1 ILE A 10 -0.587 1.489 -4.060 1.00 24.23 C ATOM 126 H ILE A 10 -0.316 4.266 -0.736 1.00 71.41 H ATOM 127 HA ILE A 10 -2.899 4.331 -0.987 1.00 24.05 H ATOM 128 HB ILE A 10 -2.718 2.739 -3.086 1.00 5.11 H ATOM 129 HG12 ILE A 10 0.305 2.833 -2.596 1.00 10.33 H ATOM 130 HG13 ILE A 10 -0.667 1.514 -1.919 1.00 3.23 H ATOM 131 HG21 ILE A 10 -1.419 4.379 -4.405 1.00 74.24 H ATOM 132 HG22 ILE A 10 -2.524 5.197 -3.276 1.00 70.51 H ATOM 133 HG23 ILE A 10 -0.777 5.122 -2.919 1.00 74.32 H ATOM 134 HD11 ILE A 10 0.296 0.830 -4.081 1.00 63.34 H ATOM 135 HD12 ILE A 10 -1.485 0.860 -4.170 1.00 53.14 H ATOM 136 HD13 ILE A 10 -0.528 2.175 -4.918 1.00 15.12 H ATOM 137 N PRO A 11 -4.328 2.092 -0.708 1.00 74.32 N ATOM 138 CA PRO A 11 -4.995 0.905 -0.182 1.00 40.02 C ATOM 139 C PRO A 11 -4.800 -0.342 -1.022 1.00 52.31 C ATOM 140 O PRO A 11 -5.346 -1.366 -0.640 1.00 41.52 O ATOM 141 CB PRO A 11 -6.465 1.392 -0.231 1.00 24.15 C ATOM 142 CG PRO A 11 -6.488 2.337 -1.452 1.00 22.33 C ATOM 143 CD PRO A 11 -5.168 3.127 -1.299 1.00 63.41 C ATOM 144 HA PRO A 11 -4.692 0.692 0.856 1.00 24.42 H ATOM 145 HB2 PRO A 11 -7.200 0.575 -0.307 1.00 43.44 H ATOM 146 HB3 PRO A 11 -6.688 1.986 0.672 1.00 2.53 H ATOM 147 HG2 PRO A 11 -6.456 1.730 -2.372 1.00 71.11 H ATOM 148 HG3 PRO A 11 -7.377 2.989 -1.480 1.00 51.20 H ATOM 149 HD2 PRO A 11 -4.829 3.511 -2.274 1.00 23.34 H ATOM 150 HD3 PRO A 11 -5.299 3.959 -0.588 1.00 75.12 H ATOM 151 N GLY A 12 -4.051 -0.313 -2.150 1.00 41.14 N ATOM 152 CA GLY A 12 -3.876 -1.530 -2.938 1.00 44.34 C ATOM 153 C GLY A 12 -3.304 -2.663 -2.118 1.00 1.13 C ATOM 154 O GLY A 12 -3.754 -3.786 -2.288 1.00 55.21 O ATOM 155 H GLY A 12 -3.618 0.523 -2.485 1.00 32.12 H ATOM 156 HA2 GLY A 12 -4.854 -1.824 -3.354 1.00 63.31 H ATOM 157 HA3 GLY A 12 -3.186 -1.359 -3.781 1.00 74.32 H ATOM 158 N TRP A 13 -2.306 -2.389 -1.244 1.00 71.32 N ATOM 159 CA TRP A 13 -1.657 -3.465 -0.494 1.00 23.12 C ATOM 160 C TRP A 13 -1.217 -2.967 0.876 1.00 0.12 C ATOM 161 O TRP A 13 -2.057 -2.365 1.525 1.00 73.12 O ATOM 162 CB TRP A 13 -0.525 -4.029 -1.393 1.00 44.42 C ATOM 163 CG TRP A 13 -0.958 -4.552 -2.733 1.00 51.34 C ATOM 164 CD1 TRP A 13 -0.740 -4.002 -3.940 1.00 11.24 C ATOM 165 CD2 TRP A 13 -1.708 -5.840 -2.966 1.00 21.41 C ATOM 166 NE1 TRP A 13 -1.241 -4.777 -4.868 1.00 75.40 N ATOM 167 CE2 TRP A 13 -1.814 -5.880 -4.342 1.00 35.11 C ATOM 168 CE3 TRP A 13 -2.225 -6.844 -2.149 1.00 75.30 C ATOM 169 CZ2 TRP A 13 -2.432 -6.945 -4.997 1.00 21.21 C ATOM 170 CZ3 TRP A 13 -2.858 -7.916 -2.794 1.00 3.15 C ATOM 171 CH2 TRP A 13 -2.953 -7.967 -4.194 1.00 21.23 C ATOM 172 H TRP A 13 -1.954 -1.458 -1.136 1.00 74.44 H ATOM 173 HA TRP A 13 -2.374 -4.277 -0.290 1.00 22.14 H ATOM 174 HB2 TRP A 13 0.236 -3.255 -1.550 1.00 64.23 H ATOM 175 HB3 TRP A 13 -0.066 -4.897 -0.910 1.00 64.35 H ATOM 176 HD1 TRP A 13 -0.220 -3.059 -4.113 1.00 21.31 H ATOM 177 HE1 TRP A 13 -1.195 -4.576 -5.878 1.00 11.44 H ATOM 178 HE3 TRP A 13 -2.139 -6.794 -1.068 1.00 30.32 H ATOM 179 HZ2 TRP A 13 -2.501 -6.977 -6.080 1.00 22.33 H ATOM 180 HZ3 TRP A 13 -3.280 -8.720 -2.198 1.00 55.53 H ATOM 181 HH2 TRP A 13 -3.441 -8.816 -4.665 1.00 70.12 H ATOM 182 N ASN A 14 0.037 -3.192 1.355 1.00 73.24 N ATOM 183 CA ASN A 14 0.426 -2.826 2.723 1.00 11.04 C ATOM 184 C ASN A 14 1.890 -2.413 2.714 1.00 11.34 C ATOM 185 O ASN A 14 2.669 -3.176 2.168 1.00 21.53 O ATOM 186 CB ASN A 14 0.251 -4.106 3.597 1.00 70.11 C ATOM 187 CG ASN A 14 -0.768 -4.038 4.711 1.00 40.54 C ATOM 188 OD1 ASN A 14 -1.660 -3.205 4.675 1.00 72.11 O ATOM 189 ND2 ASN A 14 -0.662 -4.933 5.720 1.00 63.20 N ATOM 190 H ASN A 14 0.729 -3.687 0.833 1.00 54.23 H ATOM 191 HA ASN A 14 -0.184 -1.988 3.095 1.00 11.52 H ATOM 192 HB2 ASN A 14 -0.047 -4.954 2.960 1.00 42.40 H ATOM 193 HB3 ASN A 14 1.219 -4.371 4.034 1.00 3.23 H ATOM 194 HD21 ASN A 14 0.066 -5.619 5.734 1.00 44.10 H ATOM 195 HD22 ASN A 14 -1.327 -4.926 6.465 1.00 55.51 H ATOM 196 N THR A 15 2.321 -1.259 3.279 1.00 54.22 N ATOM 197 CA THR A 15 3.721 -0.824 3.135 1.00 2.52 C ATOM 198 C THR A 15 4.480 -1.079 4.422 1.00 52.44 C ATOM 199 O THR A 15 3.901 -0.758 5.448 1.00 0.42 O ATOM 200 CB THR A 15 3.775 0.662 2.658 1.00 51.13 C ATOM 201 OG1 THR A 15 4.331 0.801 1.336 1.00 14.14 O ATOM 202 CG2 THR A 15 4.459 1.656 3.629 1.00 51.11 C ATOM 203 H THR A 15 1.693 -0.687 3.809 1.00 12.13 H ATOM 204 HA THR A 15 4.184 -1.396 2.325 1.00 32.12 H ATOM 205 HB THR A 15 2.737 0.987 2.567 1.00 34.44 H ATOM 206 HG1 THR A 15 5.256 0.578 1.305 1.00 15.54 H ATOM 207 HG21 THR A 15 4.016 1.603 4.629 1.00 54.41 H ATOM 208 HG22 THR A 15 4.351 2.683 3.254 1.00 24.00 H ATOM 209 HG23 THR A 15 5.524 1.432 3.706 1.00 25.44 H ATOM 210 N PRO A 16 5.722 -1.635 4.473 1.00 41.42 N ATOM 211 CA PRO A 16 6.363 -1.869 5.761 1.00 62.12 C ATOM 212 C PRO A 16 6.976 -0.610 6.339 1.00 24.31 C ATOM 213 O PRO A 16 7.092 -0.538 7.552 1.00 22.33 O ATOM 214 CB PRO A 16 7.451 -2.887 5.331 1.00 63.52 C ATOM 215 CG PRO A 16 7.804 -2.497 3.877 1.00 12.24 C ATOM 216 CD PRO A 16 6.439 -2.075 3.281 1.00 52.23 C ATOM 217 HA PRO A 16 5.676 -2.331 6.490 1.00 71.43 H ATOM 218 HB2 PRO A 16 8.326 -2.896 6.001 1.00 61.30 H ATOM 219 HB3 PRO A 16 7.013 -3.899 5.312 1.00 43.25 H ATOM 220 HG2 PRO A 16 8.509 -1.651 3.893 1.00 55.53 H ATOM 221 HG3 PRO A 16 8.274 -3.322 3.316 1.00 53.33 H ATOM 222 HD2 PRO A 16 6.566 -1.284 2.526 1.00 45.23 H ATOM 223 HD3 PRO A 16 5.936 -2.953 2.842 1.00 45.42 H ATOM 224 N TRP A 17 7.392 0.376 5.509 1.00 11.33 N ATOM 225 CA TRP A 17 8.094 1.554 6.023 1.00 75.40 C ATOM 226 C TRP A 17 7.382 2.143 7.224 1.00 23.45 C ATOM 227 O TRP A 17 7.980 2.192 8.288 1.00 22.22 O ATOM 228 CB TRP A 17 8.303 2.660 4.945 1.00 5.52 C ATOM 229 CG TRP A 17 8.838 2.092 3.656 1.00 71.32 C ATOM 230 CD1 TRP A 17 8.216 2.060 2.463 1.00 72.51 C ATOM 231 CD2 TRP A 17 10.181 1.432 3.463 1.00 1.54 C ATOM 232 NE1 TRP A 17 8.977 1.457 1.587 1.00 61.05 N ATOM 233 CE2 TRP A 17 10.145 1.061 2.134 1.00 12.22 C ATOM 234 CE3 TRP A 17 11.287 1.177 4.273 1.00 4.24 C ATOM 235 CZ2 TRP A 17 11.205 0.384 1.531 1.00 74.42 C ATOM 236 CZ3 TRP A 17 12.360 0.498 3.680 1.00 14.43 C ATOM 237 CH2 TRP A 17 12.318 0.107 2.333 1.00 24.54 C ATOM 238 H TRP A 17 7.299 0.277 4.524 1.00 4.41 H ATOM 239 HA TRP A 17 9.092 1.206 6.335 1.00 12.35 H ATOM 240 HB2 TRP A 17 7.351 3.164 4.725 1.00 52.23 H ATOM 241 HB3 TRP A 17 9.007 3.418 5.321 1.00 4.11 H ATOM 242 HD1 TRP A 17 7.228 2.467 2.251 1.00 73.24 H ATOM 243 HE1 TRP A 17 8.716 1.302 0.602 1.00 43.51 H ATOM 244 HE3 TRP A 17 11.318 1.494 5.309 1.00 73.55 H ATOM 245 HZ2 TRP A 17 11.163 0.088 0.487 1.00 55.31 H ATOM 246 HZ3 TRP A 17 13.239 0.272 4.276 1.00 75.42 H ATOM 247 HH2 TRP A 17 13.165 -0.421 1.903 1.00 54.44 H ATOM 248 N ALA A 18 6.109 2.580 7.071 1.00 14.15 N ATOM 249 CA ALA A 18 5.351 3.126 8.195 1.00 43.12 C ATOM 250 C ALA A 18 4.372 2.073 8.654 1.00 62.52 C ATOM 251 O ALA A 18 3.917 1.318 7.810 1.00 25.02 O ATOM 252 CB ALA A 18 4.560 4.389 7.768 1.00 62.42 C ATOM 253 H ALA A 18 5.635 2.494 6.196 1.00 11.31 H ATOM 254 HA ALA A 18 6.018 3.422 9.021 1.00 2.13 H ATOM 255 HB1 ALA A 18 3.991 4.795 8.620 1.00 23.40 H ATOM 256 HB2 ALA A 18 5.254 5.163 7.404 1.00 74.10 H ATOM 257 HB3 ALA A 18 3.854 4.141 6.960 1.00 22.41 H ATOM 258 N CYS A 19 4.037 2.014 9.966 1.00 72.41 N ATOM 259 CA CYS A 19 3.098 1.003 10.452 1.00 75.21 C ATOM 260 C CYS A 19 2.344 1.552 11.628 1.00 0.00 C ATOM 261 O CYS A 19 1.165 1.880 11.504 1.00 0.00 O ATOM 262 CB CYS A 19 3.852 -0.281 10.888 1.00 43.40 C ATOM 263 SG CYS A 19 4.710 -1.039 9.467 1.00 60.55 S ATOM 264 OXT CYS A 19 2.952 1.684 12.808 1.00 0.00 O ATOM 265 H CYS A 19 4.445 2.639 10.635 1.00 3.14 H ATOM 266 HA CYS A 19 2.359 0.758 9.674 1.00 14.34 H ATOM 267 HB2 CYS A 19 4.610 -0.014 11.640 1.00 45.34 H ATOM 268 HB3 CYS A 19 3.158 -1.012 11.330 1.00 64.12 H ATOM 269 HXT CYS A 19 2.329 2.046 13.442 1.00 0.00 H TER 270 CYS A 19 ENDMDL MODEL 2 ATOM 1 N GLY A 1 1.736 0.672 -0.334 1.00 35.01 N ATOM 2 CA GLY A 1 1.189 -0.620 -0.741 1.00 53.12 C ATOM 3 C GLY A 1 2.117 -1.548 -1.494 1.00 61.41 C ATOM 4 O GLY A 1 2.170 -1.452 -2.711 1.00 73.11 O ATOM 5 H1 GLY A 1 2.512 1.050 -0.845 1.00 72.32 H ATOM 6 HA2 GLY A 1 0.824 -1.167 0.137 1.00 21.23 H ATOM 7 HA3 GLY A 1 0.315 -0.423 -1.381 1.00 61.23 H ATOM 8 N LEU A 2 2.819 -2.472 -0.789 1.00 63.24 N ATOM 9 CA LEU A 2 3.436 -3.638 -1.435 1.00 60.42 C ATOM 10 C LEU A 2 2.702 -4.839 -0.850 1.00 5.42 C ATOM 11 O LEU A 2 2.202 -4.673 0.249 1.00 65.53 O ATOM 12 CB LEU A 2 4.969 -3.785 -1.151 1.00 34.02 C ATOM 13 CG LEU A 2 5.693 -2.529 -0.574 1.00 14.41 C ATOM 14 CD1 LEU A 2 7.162 -2.880 -0.193 1.00 70.51 C ATOM 15 CD2 LEU A 2 5.690 -1.325 -1.554 1.00 43.11 C ATOM 16 H LEU A 2 2.825 -2.457 0.210 1.00 52.51 H ATOM 17 HA LEU A 2 3.265 -3.607 -2.523 1.00 61.24 H ATOM 18 HB2 LEU A 2 5.101 -4.583 -0.404 1.00 55.21 H ATOM 19 HB3 LEU A 2 5.491 -4.105 -2.068 1.00 65.24 H ATOM 20 HG LEU A 2 5.191 -2.228 0.358 1.00 64.14 H ATOM 21 HD11 LEU A 2 7.674 -2.005 0.237 1.00 1.23 H ATOM 22 HD12 LEU A 2 7.720 -3.208 -1.083 1.00 70.32 H ATOM 23 HD13 LEU A 2 7.193 -3.685 0.556 1.00 71.11 H ATOM 24 HD21 LEU A 2 6.211 -1.592 -2.486 1.00 24.33 H ATOM 25 HD22 LEU A 2 6.209 -0.469 -1.093 1.00 53.14 H ATOM 26 HD23 LEU A 2 4.672 -1.000 -1.806 1.00 72.43 H ATOM 27 N PRO A 3 2.581 -6.056 -1.434 1.00 21.51 N ATOM 28 CA PRO A 3 1.894 -7.141 -0.729 1.00 31.32 C ATOM 29 C PRO A 3 2.757 -7.776 0.344 1.00 44.22 C ATOM 30 O PRO A 3 3.000 -8.969 0.268 1.00 53.44 O ATOM 31 CB PRO A 3 1.565 -8.044 -1.947 1.00 22.34 C ATOM 32 CG PRO A 3 2.780 -7.832 -2.880 1.00 60.31 C ATOM 33 CD PRO A 3 3.062 -6.313 -2.780 1.00 31.22 C ATOM 34 HA PRO A 3 0.961 -6.837 -0.232 1.00 61.51 H ATOM 35 HB2 PRO A 3 1.383 -9.100 -1.685 1.00 55.42 H ATOM 36 HB3 PRO A 3 0.666 -7.655 -2.458 1.00 41.04 H ATOM 37 HG2 PRO A 3 3.632 -8.384 -2.463 1.00 62.14 H ATOM 38 HG3 PRO A 3 2.605 -8.176 -3.913 1.00 22.43 H ATOM 39 HD2 PRO A 3 4.129 -6.080 -2.917 1.00 11.14 H ATOM 40 HD3 PRO A 3 2.446 -5.758 -3.506 1.00 63.52 H ATOM 41 N TRP A 4 3.205 -6.997 1.362 1.00 72.45 N ATOM 42 CA TRP A 4 3.990 -7.548 2.473 1.00 43.53 C ATOM 43 C TRP A 4 4.388 -6.413 3.408 1.00 21.33 C ATOM 44 O TRP A 4 5.522 -5.966 3.349 1.00 42.13 O ATOM 45 CB TRP A 4 5.213 -8.400 1.999 1.00 61.32 C ATOM 46 CG TRP A 4 5.810 -7.948 0.688 1.00 42.31 C ATOM 47 CD1 TRP A 4 6.451 -6.794 0.440 1.00 52.21 C ATOM 48 CD2 TRP A 4 5.807 -8.725 -0.607 1.00 11.12 C ATOM 49 NE1 TRP A 4 6.804 -6.745 -0.819 1.00 15.21 N ATOM 50 CE2 TRP A 4 6.428 -7.855 -1.484 1.00 30.33 C ATOM 51 CE3 TRP A 4 5.364 -9.984 -1.018 1.00 74.33 C ATOM 52 CZ2 TRP A 4 6.597 -8.163 -2.834 1.00 72.11 C ATOM 53 CZ3 TRP A 4 5.534 -10.311 -2.369 1.00 72.52 C ATOM 54 CH2 TRP A 4 6.133 -9.412 -3.265 1.00 21.24 C ATOM 55 H TRP A 4 2.953 -6.028 1.404 1.00 22.00 H ATOM 56 HA TRP A 4 3.336 -8.212 3.063 1.00 52.44 H ATOM 57 HB2 TRP A 4 6.001 -8.408 2.769 1.00 4.14 H ATOM 58 HB3 TRP A 4 4.903 -9.448 1.864 1.00 71.13 H ATOM 59 HD1 TRP A 4 6.650 -6.012 1.168 1.00 13.12 H ATOM 60 HE1 TRP A 4 7.311 -5.957 -1.249 1.00 40.24 H ATOM 61 HE3 TRP A 4 4.908 -10.681 -0.323 1.00 3.41 H ATOM 62 HZ2 TRP A 4 7.066 -7.462 -3.517 1.00 14.50 H ATOM 63 HZ3 TRP A 4 5.193 -11.278 -2.730 1.00 71.03 H ATOM 64 HH2 TRP A 4 6.237 -9.688 -4.311 1.00 22.44 H ATOM 65 N GLY A 5 3.476 -5.911 4.283 1.00 4.11 N ATOM 66 CA GLY A 5 3.840 -4.773 5.131 1.00 35.21 C ATOM 67 C GLY A 5 2.785 -4.389 6.155 1.00 51.50 C ATOM 68 O GLY A 5 2.426 -5.244 6.948 1.00 35.23 O ATOM 69 H GLY A 5 2.548 -6.284 4.342 1.00 24.43 H ATOM 70 HA2 GLY A 5 4.749 -5.014 5.703 1.00 30.20 H ATOM 71 HA3 GLY A 5 4.075 -3.929 4.465 1.00 61.21 H ATOM 72 N CYS A 6 2.290 -3.124 6.163 1.00 32.05 N ATOM 73 CA CYS A 6 1.355 -2.638 7.180 1.00 53.51 C ATOM 74 C CYS A 6 0.303 -1.746 6.548 1.00 72.10 C ATOM 75 O CYS A 6 0.597 -1.254 5.470 1.00 60.34 O ATOM 76 CB CYS A 6 2.149 -1.702 8.129 1.00 4.45 C ATOM 77 SG CYS A 6 3.560 -2.532 8.911 1.00 24.33 S ATOM 78 H CYS A 6 2.594 -2.450 5.492 1.00 11.24 H ATOM 79 HA CYS A 6 0.887 -3.475 7.727 1.00 21.02 H ATOM 80 HB2 CYS A 6 2.532 -0.841 7.561 1.00 31.02 H ATOM 81 HB3 CYS A 6 1.519 -1.317 8.939 1.00 72.11 H ATOM 82 N PRO A 7 -0.894 -1.468 7.134 1.00 11.40 N ATOM 83 CA PRO A 7 -1.818 -0.533 6.495 1.00 24.12 C ATOM 84 C PRO A 7 -1.290 0.888 6.544 1.00 31.13 C ATOM 85 O PRO A 7 -1.146 1.405 7.640 1.00 31.30 O ATOM 86 CB PRO A 7 -3.064 -0.716 7.404 1.00 25.53 C ATOM 87 CG PRO A 7 -2.483 -1.151 8.771 1.00 30.10 C ATOM 88 CD PRO A 7 -1.331 -2.099 8.374 1.00 61.30 C ATOM 89 HA PRO A 7 -2.061 -0.835 5.464 1.00 63.04 H ATOM 90 HB2 PRO A 7 -3.696 0.186 7.464 1.00 4.42 H ATOM 91 HB3 PRO A 7 -3.678 -1.546 7.013 1.00 24.21 H ATOM 92 HG2 PRO A 7 -2.068 -0.276 9.297 1.00 32.25 H ATOM 93 HG3 PRO A 7 -3.227 -1.631 9.427 1.00 42.32 H ATOM 94 HD2 PRO A 7 -0.591 -2.159 9.183 1.00 40.40 H ATOM 95 HD3 PRO A 7 -1.718 -3.105 8.155 1.00 51.14 H ATOM 96 N SER A 8 -1.012 1.543 5.388 1.00 1.40 N ATOM 97 CA SER A 8 -0.550 2.934 5.405 1.00 51.14 C ATOM 98 C SER A 8 -0.534 3.550 4.014 1.00 34.32 C ATOM 99 O SER A 8 -1.171 4.572 3.806 1.00 0.43 O ATOM 100 CB SER A 8 0.874 3.047 6.015 1.00 22.41 C ATOM 101 OG SER A 8 1.766 2.173 5.305 1.00 73.33 O ATOM 102 H SER A 8 -1.135 1.089 4.502 1.00 24.24 H ATOM 103 HA SER A 8 -1.242 3.528 6.026 1.00 50.43 H ATOM 104 HB2 SER A 8 1.220 4.091 5.940 1.00 71.21 H ATOM 105 HB3 SER A 8 0.860 2.767 7.080 1.00 3.52 H ATOM 106 HG SER A 8 2.655 2.207 5.643 1.00 23.33 H ATOM 107 N ASP A 9 0.203 2.951 3.050 1.00 13.54 N ATOM 108 CA ASP A 9 0.302 3.514 1.696 1.00 10.45 C ATOM 109 C ASP A 9 -1.004 3.311 0.951 1.00 13.40 C ATOM 110 O ASP A 9 -1.968 2.917 1.590 1.00 35.11 O ATOM 111 CB ASP A 9 1.466 2.801 0.941 1.00 70.41 C ATOM 112 CG ASP A 9 1.094 1.364 0.642 1.00 24.11 C ATOM 113 OD1 ASP A 9 0.194 0.858 1.295 1.00 41.22 O ATOM 114 H ASP A 9 0.677 2.093 3.256 1.00 0.40 H ATOM 115 HA ASP A 9 0.514 4.595 1.765 1.00 43.45 H ATOM 116 HB2 ASP A 9 1.713 3.315 0.003 1.00 45.13 H ATOM 117 HB3 ASP A 9 2.362 2.874 1.571 1.00 60.44 H ATOM 118 N ILE A 10 -1.046 3.551 -0.386 1.00 44.44 N ATOM 119 CA ILE A 10 -2.247 3.299 -1.185 1.00 63.22 C ATOM 120 C ILE A 10 -3.008 2.076 -0.706 1.00 45.34 C ATOM 121 O ILE A 10 -2.347 1.135 -0.294 1.00 10.15 O ATOM 122 CB ILE A 10 -2.000 3.164 -2.732 1.00 11.40 C ATOM 123 CG1 ILE A 10 -1.127 1.947 -3.191 1.00 23.20 C ATOM 124 CG2 ILE A 10 -1.543 4.502 -3.383 1.00 74.14 C ATOM 125 CD1 ILE A 10 0.412 2.148 -3.157 1.00 73.52 C ATOM 126 H ILE A 10 -0.280 3.997 -0.840 1.00 62.01 H ATOM 127 HA ILE A 10 -2.870 4.189 -1.007 1.00 32.43 H ATOM 128 HB ILE A 10 -2.988 2.956 -3.177 1.00 43.24 H ATOM 129 HG12 ILE A 10 -1.381 1.057 -2.597 1.00 30.34 H ATOM 130 HG13 ILE A 10 -1.371 1.709 -4.242 1.00 23.11 H ATOM 131 HG21 ILE A 10 -1.467 4.386 -4.475 1.00 32.31 H ATOM 132 HG22 ILE A 10 -2.275 5.298 -3.174 1.00 23.24 H ATOM 133 HG23 ILE A 10 -0.566 4.834 -3.006 1.00 71.14 H ATOM 134 HD11 ILE A 10 0.727 2.947 -3.845 1.00 54.10 H ATOM 135 HD12 ILE A 10 0.758 2.389 -2.147 1.00 44.01 H ATOM 136 HD13 ILE A 10 0.911 1.218 -3.473 1.00 44.12 H ATOM 137 N PRO A 11 -4.368 2.004 -0.732 1.00 20.25 N ATOM 138 CA PRO A 11 -5.042 0.812 -0.226 1.00 12.35 C ATOM 139 C PRO A 11 -4.787 -0.432 -1.048 1.00 32.14 C ATOM 140 O PRO A 11 -5.164 -1.493 -0.575 1.00 51.42 O ATOM 141 CB PRO A 11 -6.523 1.264 -0.313 1.00 75.33 C ATOM 142 CG PRO A 11 -6.524 2.308 -1.453 1.00 5.41 C ATOM 143 CD PRO A 11 -5.218 3.094 -1.200 1.00 34.01 C ATOM 144 HA PRO A 11 -4.752 0.614 0.820 1.00 13.33 H ATOM 145 HB2 PRO A 11 -7.228 0.435 -0.487 1.00 2.50 H ATOM 146 HB3 PRO A 11 -6.810 1.777 0.622 1.00 71.21 H ATOM 147 HG2 PRO A 11 -6.454 1.784 -2.421 1.00 13.42 H ATOM 148 HG3 PRO A 11 -7.419 2.952 -1.459 1.00 22.23 H ATOM 149 HD2 PRO A 11 -4.906 3.602 -2.123 1.00 24.32 H ATOM 150 HD3 PRO A 11 -5.350 3.832 -0.393 1.00 45.03 H ATOM 151 N GLY A 12 -4.162 -0.355 -2.248 1.00 74.33 N ATOM 152 CA GLY A 12 -3.896 -1.568 -3.019 1.00 33.25 C ATOM 153 C GLY A 12 -3.315 -2.682 -2.177 1.00 41.40 C ATOM 154 O GLY A 12 -3.756 -3.810 -2.335 1.00 15.21 O ATOM 155 H GLY A 12 -3.902 0.521 -2.658 1.00 64.31 H ATOM 156 HA2 GLY A 12 -4.837 -1.892 -3.492 1.00 5.12 H ATOM 157 HA3 GLY A 12 -3.167 -1.367 -3.821 1.00 71.42 H ATOM 158 N TRP A 13 -2.328 -2.393 -1.292 1.00 70.14 N ATOM 159 CA TRP A 13 -1.692 -3.459 -0.514 1.00 15.22 C ATOM 160 C TRP A 13 -1.242 -2.933 0.843 1.00 25.52 C ATOM 161 O TRP A 13 -2.062 -2.276 1.465 1.00 72.30 O ATOM 162 CB TRP A 13 -0.563 -4.059 -1.393 1.00 21.12 C ATOM 163 CG TRP A 13 -0.982 -4.591 -2.735 1.00 23.35 C ATOM 164 CD1 TRP A 13 -0.731 -4.059 -3.943 1.00 21.35 C ATOM 165 CD2 TRP A 13 -1.750 -5.867 -2.964 1.00 71.22 C ATOM 166 NE1 TRP A 13 -1.228 -4.838 -4.871 1.00 24.22 N ATOM 167 CE2 TRP A 13 -1.831 -5.922 -4.343 1.00 24.12 C ATOM 168 CE3 TRP A 13 -2.301 -6.852 -2.146 1.00 61.41 C ATOM 169 CZ2 TRP A 13 -2.455 -6.985 -4.996 1.00 50.31 C ATOM 170 CZ3 TRP A 13 -2.940 -7.919 -2.789 1.00 0.41 C ATOM 171 CH2 TRP A 13 -3.011 -7.988 -4.189 1.00 4.44 C ATOM 172 H TRP A 13 -1.977 -1.460 -1.193 1.00 73.35 H ATOM 173 HA TRP A 13 -2.419 -4.257 -0.290 1.00 23.01 H ATOM 174 HB2 TRP A 13 0.217 -3.302 -1.545 1.00 42.12 H ATOM 175 HB3 TRP A 13 -0.131 -4.931 -0.895 1.00 71.10 H ATOM 176 HD1 TRP A 13 -0.189 -3.129 -4.118 1.00 30.43 H ATOM 177 HE1 TRP A 13 -1.156 -4.651 -5.883 1.00 53.10 H ATOM 178 HE3 TRP A 13 -2.233 -6.790 -1.064 1.00 43.03 H ATOM 179 HZ2 TRP A 13 -2.502 -7.031 -6.079 1.00 14.34 H ATOM 180 HZ3 TRP A 13 -3.389 -8.709 -2.192 1.00 74.24 H ATOM 181 HH2 TRP A 13 -3.504 -8.834 -4.659 1.00 60.55 H ATOM 182 N ASN A 14 -0.001 -3.192 1.338 1.00 5.24 N ATOM 183 CA ASN A 14 0.402 -2.794 2.690 1.00 4.11 C ATOM 184 C ASN A 14 1.863 -2.367 2.656 1.00 5.00 C ATOM 185 O ASN A 14 2.633 -3.093 2.052 1.00 13.34 O ATOM 186 CB ASN A 14 0.259 -4.054 3.599 1.00 34.41 C ATOM 187 CG ASN A 14 -0.798 -3.994 4.675 1.00 14.00 C ATOM 188 OD1 ASN A 14 -1.713 -3.192 4.587 1.00 54.31 O ATOM 189 ND2 ASN A 14 -0.697 -4.860 5.710 1.00 2.35 N ATOM 190 H ASN A 14 0.678 -3.725 0.836 1.00 34.42 H ATOM 191 HA ASN A 14 -0.202 -1.949 3.055 1.00 21.51 H ATOM 192 HB2 ASN A 14 0.031 -4.942 2.986 1.00 11.30 H ATOM 193 HB3 ASN A 14 1.224 -4.253 4.080 1.00 74.13 H ATOM 194 HD21 ASN A 14 0.053 -5.520 5.766 1.00 12.43 H ATOM 195 HD22 ASN A 14 -1.386 -4.856 6.435 1.00 42.25 H ATOM 196 N THR A 15 2.297 -1.240 3.271 1.00 41.10 N ATOM 197 CA THR A 15 3.699 -0.805 3.155 1.00 24.33 C ATOM 198 C THR A 15 4.456 -1.070 4.439 1.00 72.35 C ATOM 199 O THR A 15 3.878 -0.753 5.465 1.00 41.45 O ATOM 200 CB THR A 15 3.747 0.698 2.745 1.00 64.20 C ATOM 201 OG1 THR A 15 3.776 0.841 1.311 1.00 11.14 O ATOM 202 CG2 THR A 15 4.910 1.513 3.354 1.00 41.43 C ATOM 203 H THR A 15 1.668 -0.696 3.830 1.00 43.34 H ATOM 204 HA THR A 15 4.186 -1.351 2.342 1.00 72.15 H ATOM 205 HB THR A 15 2.835 1.173 3.118 1.00 41.23 H ATOM 206 HG1 THR A 15 4.576 0.510 0.916 1.00 65.54 H ATOM 207 HG21 THR A 15 4.826 2.572 3.068 1.00 52.01 H ATOM 208 HG22 THR A 15 5.850 1.116 2.959 1.00 43.54 H ATOM 209 HG23 THR A 15 4.908 1.450 4.449 1.00 34.14 H ATOM 210 N PRO A 16 5.703 -1.618 4.484 1.00 53.45 N ATOM 211 CA PRO A 16 6.356 -1.837 5.769 1.00 23.20 C ATOM 212 C PRO A 16 6.955 -0.571 6.348 1.00 45.22 C ATOM 213 O PRO A 16 7.064 -0.502 7.561 1.00 51.44 O ATOM 214 CB PRO A 16 7.457 -2.842 5.339 1.00 3.01 C ATOM 215 CG PRO A 16 7.795 -2.460 3.878 1.00 65.30 C ATOM 216 CD PRO A 16 6.420 -2.057 3.291 1.00 64.04 C ATOM 217 HA PRO A 16 5.669 -2.302 6.498 1.00 32.32 H ATOM 218 HB2 PRO A 16 8.334 -2.834 6.006 1.00 54.25 H ATOM 219 HB3 PRO A 16 7.034 -3.861 5.330 1.00 14.44 H ATOM 220 HG2 PRO A 16 8.485 -1.601 3.876 1.00 2.44 H ATOM 221 HG3 PRO A 16 8.273 -3.279 3.316 1.00 43.33 H ATOM 222 HD2 PRO A 16 6.540 -1.271 2.530 1.00 12.50 H ATOM 223 HD3 PRO A 16 5.921 -2.941 2.859 1.00 1.52 H ATOM 224 N TRP A 17 7.364 0.424 5.523 1.00 15.24 N ATOM 225 CA TRP A 17 8.059 1.604 6.041 1.00 35.14 C ATOM 226 C TRP A 17 7.337 2.182 7.243 1.00 32.42 C ATOM 227 O TRP A 17 7.879 2.089 8.334 1.00 61.33 O ATOM 228 CB TRP A 17 8.341 2.698 4.964 1.00 54.44 C ATOM 229 CG TRP A 17 8.875 2.130 3.671 1.00 72.41 C ATOM 230 CD1 TRP A 17 8.316 2.245 2.452 1.00 71.24 C ATOM 231 CD2 TRP A 17 10.132 1.316 3.491 1.00 53.03 C ATOM 232 NE1 TRP A 17 9.028 1.585 1.575 1.00 3.14 N ATOM 233 CE2 TRP A 17 10.102 1.008 2.144 1.00 22.51 C ATOM 234 CE3 TRP A 17 11.172 0.892 4.318 1.00 74.31 C ATOM 235 CZ2 TRP A 17 11.082 0.215 1.545 1.00 75.01 C ATOM 236 CZ3 TRP A 17 12.169 0.103 3.730 1.00 72.22 C ATOM 237 CH2 TRP A 17 12.122 -0.235 2.368 1.00 74.34 C ATOM 238 H TRP A 17 7.280 0.326 4.538 1.00 61.23 H ATOM 239 HA TRP A 17 9.039 1.237 6.384 1.00 52.24 H ATOM 240 HB2 TRP A 17 7.415 3.238 4.720 1.00 74.54 H ATOM 241 HB3 TRP A 17 9.062 3.433 5.354 1.00 13.53 H ATOM 242 HD1 TRP A 17 7.406 2.796 2.218 1.00 73.42 H ATOM 243 HE1 TRP A 17 8.794 1.516 0.573 1.00 25.03 H ATOM 244 HE3 TRP A 17 11.213 1.166 5.366 1.00 71.50 H ATOM 245 HZ2 TRP A 17 11.035 -0.037 0.491 1.00 12.11 H ATOM 246 HZ3 TRP A 17 12.994 -0.253 4.340 1.00 40.41 H ATOM 247 HH2 TRP A 17 12.906 -0.854 1.942 1.00 22.23 H ATOM 248 N ALA A 18 6.123 2.764 7.086 1.00 72.10 N ATOM 249 CA ALA A 18 5.363 3.246 8.238 1.00 74.12 C ATOM 250 C ALA A 18 4.395 2.160 8.645 1.00 13.50 C ATOM 251 O ALA A 18 4.005 1.392 7.779 1.00 12.24 O ATOM 252 CB ALA A 18 4.557 4.525 7.891 1.00 32.03 C ATOM 253 H ALA A 18 5.676 2.817 6.194 1.00 63.30 H ATOM 254 HA ALA A 18 6.036 3.496 9.075 1.00 10.41 H ATOM 255 HB1 ALA A 18 3.838 4.326 7.081 1.00 44.34 H ATOM 256 HB2 ALA A 18 4.000 4.879 8.773 1.00 54.01 H ATOM 257 HB3 ALA A 18 5.245 5.320 7.564 1.00 2.15 H ATOM 258 N CYS A 19 3.998 2.090 9.938 1.00 60.21 N ATOM 259 CA CYS A 19 3.066 1.055 10.384 1.00 70.10 C ATOM 260 C CYS A 19 2.228 1.568 11.519 1.00 0.00 C ATOM 261 O CYS A 19 2.343 2.735 11.890 1.00 0.00 O ATOM 262 CB CYS A 19 3.838 -0.208 10.850 1.00 34.03 C ATOM 263 SG CYS A 19 4.738 -0.968 9.458 1.00 54.03 S ATOM 264 OXT CYS A 19 1.359 0.758 12.125 1.00 0.00 O ATOM 265 H CYS A 19 4.353 2.725 10.628 1.00 30.01 H ATOM 266 HA CYS A 19 2.349 0.812 9.585 1.00 65.13 H ATOM 267 HB2 CYS A 19 4.574 0.075 11.618 1.00 51.22 H ATOM 268 HB3 CYS A 19 3.144 -0.947 11.281 1.00 64.15 H ATOM 269 HXT CYS A 19 0.911 1.245 12.821 1.00 0.00 H TER 270 CYS A 19 ENDMDL MODEL 3 ATOM 1 N GLY A 1 1.738 0.666 -0.334 1.00 11.20 N ATOM 2 CA GLY A 1 1.186 -0.622 -0.748 1.00 50.11 C ATOM 3 C GLY A 1 2.115 -1.552 -1.498 1.00 73.44 C ATOM 4 O GLY A 1 2.169 -1.459 -2.715 1.00 43.10 O ATOM 5 H1 GLY A 1 2.515 1.045 -0.842 1.00 11.51 H ATOM 6 HA2 GLY A 1 0.815 -1.171 0.126 1.00 60.32 H ATOM 7 HA3 GLY A 1 0.317 -0.420 -1.391 1.00 30.42 H ATOM 8 N LEU A 2 2.815 -2.477 -0.790 1.00 33.44 N ATOM 9 CA LEU A 2 3.430 -3.644 -1.434 1.00 11.22 C ATOM 10 C LEU A 2 2.694 -4.843 -0.849 1.00 22.33 C ATOM 11 O LEU A 2 2.193 -4.675 0.249 1.00 43.54 O ATOM 12 CB LEU A 2 4.962 -3.793 -1.147 1.00 22.24 C ATOM 13 CG LEU A 2 5.688 -2.538 -0.573 1.00 23.23 C ATOM 14 CD1 LEU A 2 7.156 -2.890 -0.191 1.00 3.20 C ATOM 15 CD2 LEU A 2 5.688 -1.335 -1.556 1.00 25.53 C ATOM 16 H LEU A 2 2.819 -2.460 0.209 1.00 1.04 H ATOM 17 HA LEU A 2 3.261 -3.614 -2.523 1.00 13.31 H ATOM 18 HB2 LEU A 2 5.092 -4.590 -0.398 1.00 22.10 H ATOM 19 HB3 LEU A 2 5.485 -4.117 -2.063 1.00 62.25 H ATOM 20 HG LEU A 2 5.186 -2.234 0.358 1.00 61.04 H ATOM 21 HD11 LEU A 2 7.186 -3.694 0.559 1.00 10.12 H ATOM 22 HD12 LEU A 2 7.670 -2.015 0.237 1.00 1.04 H ATOM 23 HD13 LEU A 2 7.714 -3.221 -1.080 1.00 71.31 H ATOM 24 HD21 LEU A 2 6.209 -0.480 -1.097 1.00 34.12 H ATOM 25 HD22 LEU A 2 4.671 -1.009 -1.809 1.00 33.31 H ATOM 26 HD23 LEU A 2 6.208 -1.606 -2.488 1.00 3.15 H ATOM 27 N PRO A 3 2.570 -6.060 -1.432 1.00 50.50 N ATOM 28 CA PRO A 3 1.882 -7.144 -0.726 1.00 53.22 C ATOM 29 C PRO A 3 2.745 -7.779 0.347 1.00 11.10 C ATOM 30 O PRO A 3 2.985 -8.973 0.272 1.00 74.12 O ATOM 31 CB PRO A 3 1.551 -8.047 -1.944 1.00 45.43 C ATOM 32 CG PRO A 3 2.766 -7.837 -2.877 1.00 22.21 C ATOM 33 CD PRO A 3 3.052 -6.320 -2.777 1.00 34.24 C ATOM 34 HA PRO A 3 0.950 -6.837 -0.229 1.00 21.02 H ATOM 35 HB2 PRO A 3 1.367 -9.103 -1.680 1.00 50.11 H ATOM 36 HB3 PRO A 3 0.653 -7.657 -2.454 1.00 74.13 H ATOM 37 HG2 PRO A 3 3.618 -8.391 -2.459 1.00 24.33 H ATOM 38 HG3 PRO A 3 2.591 -8.183 -3.909 1.00 41.44 H ATOM 39 HD2 PRO A 3 4.119 -6.088 -2.914 1.00 2.35 H ATOM 40 HD3 PRO A 3 2.437 -5.764 -3.504 1.00 50.14 H ATOM 41 N TRP A 4 3.195 -7.000 1.364 1.00 42.50 N ATOM 42 CA TRP A 4 3.979 -7.552 2.475 1.00 31.25 C ATOM 43 C TRP A 4 4.378 -6.417 3.409 1.00 32.33 C ATOM 44 O TRP A 4 5.513 -5.970 3.350 1.00 64.05 O ATOM 45 CB TRP A 4 5.201 -8.406 2.002 1.00 23.41 C ATOM 46 CG TRP A 4 5.799 -7.956 0.691 1.00 42.40 C ATOM 47 CD1 TRP A 4 6.442 -6.802 0.442 1.00 22.12 C ATOM 48 CD2 TRP A 4 5.794 -8.733 -0.604 1.00 62.44 C ATOM 49 NE1 TRP A 4 6.795 -6.756 -0.817 1.00 11.53 N ATOM 50 CE2 TRP A 4 6.416 -7.865 -1.481 1.00 11.42 C ATOM 51 CE3 TRP A 4 5.348 -9.991 -1.014 1.00 44.02 C ATOM 52 CZ2 TRP A 4 6.584 -8.174 -2.831 1.00 32.30 C ATOM 53 CZ3 TRP A 4 5.517 -10.320 -2.364 1.00 34.21 C ATOM 54 CH2 TRP A 4 6.117 -9.423 -3.261 1.00 15.32 C ATOM 55 H TRP A 4 2.945 -6.030 1.405 1.00 45.40 H ATOM 56 HA TRP A 4 3.325 -8.215 3.066 1.00 44.13 H ATOM 57 HB2 TRP A 4 5.988 -8.414 2.772 1.00 53.23 H ATOM 58 HB3 TRP A 4 4.890 -9.453 1.868 1.00 44.33 H ATOM 59 HD1 TRP A 4 6.643 -6.020 1.170 1.00 33.21 H ATOM 60 HE1 TRP A 4 7.303 -5.968 -1.247 1.00 11.34 H ATOM 61 HE3 TRP A 4 4.891 -10.686 -0.318 1.00 52.14 H ATOM 62 HZ2 TRP A 4 7.055 -7.475 -3.515 1.00 72.23 H ATOM 63 HZ3 TRP A 4 5.174 -11.286 -2.725 1.00 34.15 H ATOM 64 HH2 TRP A 4 6.221 -9.699 -4.306 1.00 12.53 H ATOM 65 N GLY A 5 3.467 -5.914 4.283 1.00 41.03 N ATOM 66 CA GLY A 5 3.831 -4.775 5.130 1.00 61.30 C ATOM 67 C GLY A 5 2.777 -4.395 6.156 1.00 3.31 C ATOM 68 O GLY A 5 2.419 -5.252 6.947 1.00 54.41 O ATOM 69 H GLY A 5 2.538 -6.285 4.343 1.00 5.21 H ATOM 70 HA2 GLY A 5 4.743 -5.013 5.700 1.00 64.44 H ATOM 71 HA3 GLY A 5 4.062 -3.931 4.463 1.00 14.22 H ATOM 72 N CYS A 6 2.281 -3.130 6.167 1.00 35.34 N ATOM 73 CA CYS A 6 1.346 -2.649 7.185 1.00 14.12 C ATOM 74 C CYS A 6 0.294 -1.755 6.554 1.00 32.34 C ATOM 75 O CYS A 6 0.590 -1.260 5.478 1.00 2.33 O ATOM 76 CB CYS A 6 2.141 -1.717 8.136 1.00 30.51 C ATOM 77 SG CYS A 6 3.548 -2.551 8.920 1.00 63.44 S ATOM 78 H CYS A 6 2.586 -2.454 5.498 1.00 44.33 H ATOM 79 HA CYS A 6 0.877 -3.486 7.729 1.00 30.52 H ATOM 80 HB2 CYS A 6 2.526 -0.856 7.569 1.00 5.42 H ATOM 81 HB3 CYS A 6 1.509 -1.332 8.946 1.00 33.03 H ATOM 82 N PRO A 7 -0.903 -1.477 7.139 1.00 13.52 N ATOM 83 CA PRO A 7 -1.825 -0.537 6.502 1.00 43.44 C ATOM 84 C PRO A 7 -1.281 0.877 6.556 1.00 23.23 C ATOM 85 O PRO A 7 -1.102 1.376 7.654 1.00 72.14 O ATOM 86 CB PRO A 7 -3.071 -0.714 7.412 1.00 73.42 C ATOM 87 CG PRO A 7 -2.491 -1.156 8.778 1.00 23.25 C ATOM 88 CD PRO A 7 -1.343 -2.109 8.378 1.00 52.30 C ATOM 89 HA PRO A 7 -2.068 -0.838 5.470 1.00 1.23 H ATOM 90 HB2 PRO A 7 -3.696 0.193 7.475 1.00 41.55 H ATOM 91 HB3 PRO A 7 -3.691 -1.539 7.019 1.00 70.53 H ATOM 92 HG2 PRO A 7 -2.072 -0.284 9.306 1.00 31.21 H ATOM 93 HG3 PRO A 7 -3.236 -1.634 9.433 1.00 32.33 H ATOM 94 HD2 PRO A 7 -0.602 -2.173 9.186 1.00 5.33 H ATOM 95 HD3 PRO A 7 -1.735 -3.113 8.157 1.00 32.15 H ATOM 96 N SER A 8 -1.025 1.543 5.401 1.00 31.53 N ATOM 97 CA SER A 8 -0.525 2.921 5.423 1.00 70.55 C ATOM 98 C SER A 8 -0.501 3.544 4.036 1.00 63.34 C ATOM 99 O SER A 8 -1.111 4.583 3.839 1.00 64.44 O ATOM 100 CB SER A 8 0.906 2.983 6.026 1.00 53.44 C ATOM 101 OG SER A 8 1.743 2.024 5.358 1.00 4.24 O ATOM 102 H SER A 8 -1.185 1.107 4.512 1.00 20.00 H ATOM 103 HA SER A 8 -1.195 3.532 6.053 1.00 2.52 H ATOM 104 HB2 SER A 8 1.312 4.000 5.902 1.00 3.31 H ATOM 105 HB3 SER A 8 0.882 2.755 7.103 1.00 32.44 H ATOM 106 HG SER A 8 2.631 2.016 5.700 1.00 15.14 H ATOM 107 N ASP A 9 0.210 2.931 3.061 1.00 41.04 N ATOM 108 CA ASP A 9 0.312 3.502 1.710 1.00 32.53 C ATOM 109 C ASP A 9 -0.996 3.307 0.966 1.00 20.43 C ATOM 110 O ASP A 9 -1.961 2.917 1.604 1.00 54.41 O ATOM 111 CB ASP A 9 1.473 2.790 0.951 1.00 32.11 C ATOM 112 CG ASP A 9 1.097 1.355 0.645 1.00 65.30 C ATOM 113 OD1 ASP A 9 0.196 0.849 1.297 1.00 13.10 O ATOM 114 H ASP A 9 0.660 2.057 3.256 1.00 22.10 H ATOM 115 HA ASP A 9 0.528 4.581 1.784 1.00 23.23 H ATOM 116 HB2 ASP A 9 1.722 3.307 0.015 1.00 3.12 H ATOM 117 HB3 ASP A 9 2.369 2.860 1.581 1.00 33.22 H ATOM 118 N ILE A 10 -1.037 3.550 -0.371 1.00 74.02 N ATOM 119 CA ILE A 10 -2.239 3.305 -1.170 1.00 0.24 C ATOM 120 C ILE A 10 -3.003 2.081 -0.695 1.00 33.32 C ATOM 121 O ILE A 10 -2.343 1.138 -0.285 1.00 72.43 O ATOM 122 CB ILE A 10 -1.992 3.175 -2.718 1.00 12.43 C ATOM 123 CG1 ILE A 10 -1.123 1.956 -3.182 1.00 23.43 C ATOM 124 CG2 ILE A 10 -1.532 4.514 -3.364 1.00 61.11 C ATOM 125 CD1 ILE A 10 0.415 2.153 -3.150 1.00 42.52 C ATOM 126 H ILE A 10 -0.269 3.994 -0.825 1.00 54.13 H ATOM 127 HA ILE A 10 -2.860 4.195 -0.988 1.00 2.14 H ATOM 128 HB ILE A 10 -2.981 2.971 -3.164 1.00 30.43 H ATOM 129 HG12 ILE A 10 -1.379 1.065 -2.590 1.00 72.40 H ATOM 130 HG13 ILE A 10 -1.370 1.722 -4.233 1.00 1.35 H ATOM 131 HG21 ILE A 10 -0.553 4.841 -2.986 1.00 10.14 H ATOM 132 HG22 ILE A 10 -1.457 4.402 -4.457 1.00 23.32 H ATOM 133 HG23 ILE A 10 -2.261 5.311 -3.151 1.00 25.42 H ATOM 134 HD11 ILE A 10 0.731 2.954 -3.837 1.00 42.51 H ATOM 135 HD12 ILE A 10 0.764 2.390 -2.140 1.00 42.34 H ATOM 136 HD13 ILE A 10 0.912 1.223 -3.471 1.00 21.41 H ATOM 137 N PRO A 11 -4.362 2.011 -0.722 1.00 43.15 N ATOM 138 CA PRO A 11 -5.039 0.819 -0.220 1.00 75.34 C ATOM 139 C PRO A 11 -4.782 -0.422 -1.045 1.00 14.31 C ATOM 140 O PRO A 11 -5.158 -1.484 -0.574 1.00 42.41 O ATOM 141 CB PRO A 11 -6.520 1.273 -0.310 1.00 14.10 C ATOM 142 CG PRO A 11 -6.516 2.321 -1.446 1.00 71.25 C ATOM 143 CD PRO A 11 -5.210 3.105 -1.187 1.00 44.34 C ATOM 144 HA PRO A 11 -4.751 0.618 0.825 1.00 34.51 H ATOM 145 HB2 PRO A 11 -7.224 0.444 -0.489 1.00 73.33 H ATOM 146 HB3 PRO A 11 -6.808 1.782 0.626 1.00 45.32 H ATOM 147 HG2 PRO A 11 -6.445 1.800 -2.416 1.00 35.02 H ATOM 148 HG3 PRO A 11 -7.411 2.965 -1.452 1.00 41.41 H ATOM 149 HD2 PRO A 11 -4.897 3.617 -2.107 1.00 30.20 H ATOM 150 HD3 PRO A 11 -5.343 3.839 -0.376 1.00 31.43 H ATOM 151 N GLY A 12 -4.160 -0.342 -2.246 1.00 41.21 N ATOM 152 CA GLY A 12 -3.892 -1.553 -3.020 1.00 2.13 C ATOM 153 C GLY A 12 -3.316 -2.670 -2.180 1.00 20.22 C ATOM 154 O GLY A 12 -3.758 -3.796 -2.341 1.00 62.25 O ATOM 155 H GLY A 12 -3.902 0.536 -2.655 1.00 63.33 H ATOM 156 HA2 GLY A 12 -4.833 -1.874 -3.498 1.00 54.15 H ATOM 157 HA3 GLY A 12 -3.161 -1.350 -3.819 1.00 20.44 H ATOM 158 N TRP A 13 -2.329 -2.385 -1.293 1.00 23.35 N ATOM 159 CA TRP A 13 -1.699 -3.454 -0.514 1.00 41.42 C ATOM 160 C TRP A 13 -1.250 -2.930 0.844 1.00 11.54 C ATOM 161 O TRP A 13 -2.070 -2.274 1.468 1.00 55.33 O ATOM 162 CB TRP A 13 -0.571 -4.058 -1.391 1.00 43.32 C ATOM 163 CG TRP A 13 -0.991 -4.590 -2.732 1.00 64.24 C ATOM 164 CD1 TRP A 13 -0.737 -4.060 -3.942 1.00 2.50 C ATOM 165 CD2 TRP A 13 -1.763 -5.864 -2.961 1.00 33.23 C ATOM 166 NE1 TRP A 13 -1.237 -4.839 -4.868 1.00 51.14 N ATOM 167 CE2 TRP A 13 -1.843 -5.920 -4.340 1.00 63.32 C ATOM 168 CE3 TRP A 13 -2.316 -6.846 -2.142 1.00 14.25 C ATOM 169 CZ2 TRP A 13 -2.470 -6.982 -4.992 1.00 73.53 C ATOM 170 CZ3 TRP A 13 -2.959 -7.913 -2.784 1.00 45.42 C ATOM 171 CH2 TRP A 13 -3.029 -7.982 -4.185 1.00 10.22 C ATOM 172 H TRP A 13 -1.976 -1.453 -1.191 1.00 63.02 H ATOM 173 HA TRP A 13 -2.429 -4.249 -0.292 1.00 51.15 H ATOM 174 HB2 TRP A 13 0.211 -3.304 -1.543 1.00 22.42 H ATOM 175 HB3 TRP A 13 -0.142 -4.931 -0.891 1.00 53.15 H ATOM 176 HD1 TRP A 13 -0.193 -3.132 -4.117 1.00 64.52 H ATOM 177 HE1 TRP A 13 -1.164 -4.653 -5.880 1.00 3.11 H ATOM 178 HE3 TRP A 13 -2.248 -6.784 -1.060 1.00 23.33 H ATOM 179 HZ2 TRP A 13 -2.518 -7.029 -6.075 1.00 33.42 H ATOM 180 HZ3 TRP A 13 -3.409 -8.700 -2.186 1.00 22.22 H ATOM 181 HH2 TRP A 13 -3.525 -8.828 -4.654 1.00 1.52 H ATOM 182 N ASN A 14 -0.009 -3.190 1.339 1.00 40.05 N ATOM 183 CA ASN A 14 0.394 -2.793 2.692 1.00 73.53 C ATOM 184 C ASN A 14 1.855 -2.369 2.658 1.00 34.44 C ATOM 185 O ASN A 14 2.622 -3.094 2.049 1.00 1.22 O ATOM 186 CB ASN A 14 0.250 -4.054 3.600 1.00 23.43 C ATOM 187 CG ASN A 14 -0.808 -3.994 4.676 1.00 41.04 C ATOM 188 OD1 ASN A 14 -1.724 -3.192 4.586 1.00 65.24 O ATOM 189 ND2 ASN A 14 -0.708 -4.859 5.710 1.00 12.32 N ATOM 190 H ASN A 14 0.670 -3.722 0.837 1.00 41.21 H ATOM 191 HA ASN A 14 -0.208 -1.947 3.057 1.00 43.22 H ATOM 192 HB2 ASN A 14 0.022 -4.940 2.986 1.00 53.20 H ATOM 193 HB3 ASN A 14 1.214 -4.253 4.081 1.00 12.02 H ATOM 194 HD21 ASN A 14 0.042 -5.520 5.766 1.00 55.12 H ATOM 195 HD22 ASN A 14 -1.397 -4.856 6.435 1.00 11.45 H ATOM 196 N THR A 15 2.292 -1.245 3.276 1.00 30.01 N ATOM 197 CA THR A 15 3.696 -0.814 3.159 1.00 24.03 C ATOM 198 C THR A 15 4.455 -1.076 4.443 1.00 23.01 C ATOM 199 O THR A 15 3.877 -0.757 5.469 1.00 2.13 O ATOM 200 CB THR A 15 3.747 0.687 2.747 1.00 42.05 C ATOM 201 OG1 THR A 15 3.773 0.828 1.313 1.00 54.15 O ATOM 202 CG2 THR A 15 4.917 1.497 3.351 1.00 63.21 C ATOM 203 H THR A 15 1.666 -0.701 3.838 1.00 25.43 H ATOM 204 HA THR A 15 4.181 -1.362 2.347 1.00 23.23 H ATOM 205 HB THR A 15 2.839 1.167 3.124 1.00 12.52 H ATOM 206 HG1 THR A 15 4.571 0.493 0.917 1.00 54.34 H ATOM 207 HG21 THR A 15 4.841 2.556 3.059 1.00 21.04 H ATOM 208 HG22 THR A 15 5.854 1.090 2.958 1.00 24.43 H ATOM 209 HG23 THR A 15 4.915 1.440 4.446 1.00 73.21 H ATOM 210 N PRO A 16 5.702 -1.623 4.486 1.00 12.35 N ATOM 211 CA PRO A 16 6.360 -1.832 5.770 1.00 53.55 C ATOM 212 C PRO A 16 6.958 -0.559 6.337 1.00 31.24 C ATOM 213 O PRO A 16 7.053 -0.475 7.551 1.00 31.11 O ATOM 214 CB PRO A 16 7.459 -2.842 5.344 1.00 3.22 C ATOM 215 CG PRO A 16 7.789 -2.478 3.877 1.00 41.02 C ATOM 216 CD PRO A 16 6.414 -2.072 3.293 1.00 35.03 C ATOM 217 HA PRO A 16 5.676 -2.291 6.504 1.00 33.13 H ATOM 218 HB2 PRO A 16 8.340 -2.828 6.007 1.00 65.31 H ATOM 219 HB3 PRO A 16 7.036 -3.861 5.350 1.00 14.30 H ATOM 220 HG2 PRO A 16 8.486 -1.624 3.861 1.00 15.24 H ATOM 221 HG3 PRO A 16 8.258 -3.306 3.321 1.00 73.34 H ATOM 222 HD2 PRO A 16 6.535 -1.290 2.528 1.00 0.14 H ATOM 223 HD3 PRO A 16 5.909 -2.955 2.868 1.00 41.54 H ATOM 224 N TRP A 17 7.378 0.424 5.504 1.00 12.05 N ATOM 225 CA TRP A 17 8.065 1.613 6.013 1.00 74.44 C ATOM 226 C TRP A 17 7.346 2.190 7.219 1.00 50.33 C ATOM 227 O TRP A 17 7.895 2.104 8.306 1.00 42.12 O ATOM 228 CB TRP A 17 8.326 2.707 4.930 1.00 20.34 C ATOM 229 CG TRP A 17 8.885 2.148 3.644 1.00 13.12 C ATOM 230 CD1 TRP A 17 8.327 2.229 2.422 1.00 51.41 C ATOM 231 CD2 TRP A 17 10.175 1.384 3.476 1.00 24.31 C ATOM 232 NE1 TRP A 17 9.068 1.592 1.554 1.00 61.21 N ATOM 233 CE2 TRP A 17 10.164 1.065 2.131 1.00 54.23 C ATOM 234 CE3 TRP A 17 11.228 1.009 4.311 1.00 13.32 C ATOM 235 CZ2 TRP A 17 11.179 0.312 1.542 1.00 32.33 C ATOM 236 CZ3 TRP A 17 12.260 0.262 3.732 1.00 4.01 C ATOM 237 CH2 TRP A 17 12.235 -0.086 2.372 1.00 2.45 C ATOM 238 H TRP A 17 7.309 0.312 4.519 1.00 70.21 H ATOM 239 HA TRP A 17 9.052 1.257 6.348 1.00 33.01 H ATOM 240 HB2 TRP A 17 7.388 3.221 4.675 1.00 5.13 H ATOM 241 HB3 TRP A 17 9.025 3.463 5.322 1.00 24.52 H ATOM 242 HD1 TRP A 17 7.398 2.742 2.179 1.00 11.13 H ATOM 243 HE1 TRP A 17 8.841 1.506 0.551 1.00 61.52 H ATOM 244 HE3 TRP A 17 11.250 1.291 5.357 1.00 5.40 H ATOM 245 HZ2 TRP A 17 11.148 0.050 0.489 1.00 24.23 H ATOM 246 HZ3 TRP A 17 13.098 -0.053 4.347 1.00 13.25 H ATOM 247 HH2 TRP A 17 13.047 -0.673 1.953 1.00 4.13 H ATOM 248 N ALA A 18 6.127 2.762 7.066 1.00 25.23 N ATOM 249 CA ALA A 18 5.365 3.235 8.222 1.00 62.14 C ATOM 250 C ALA A 18 4.407 2.140 8.626 1.00 2.45 C ATOM 251 O ALA A 18 4.039 1.359 7.763 1.00 35.11 O ATOM 252 CB ALA A 18 4.546 4.505 7.876 1.00 71.31 C ATOM 253 H ALA A 18 5.676 2.813 6.177 1.00 62.24 H ATOM 254 HA ALA A 18 6.036 3.489 9.060 1.00 32.11 H ATOM 255 HB1 ALA A 18 3.987 4.852 8.760 1.00 50.04 H ATOM 256 HB2 ALA A 18 5.223 5.308 7.547 1.00 2.54 H ATOM 257 HB3 ALA A 18 3.827 4.298 7.068 1.00 72.44 H ATOM 258 N CYS A 19 3.994 2.077 9.915 1.00 10.13 N ATOM 259 CA CYS A 19 3.065 1.037 10.356 1.00 74.41 C ATOM 260 C CYS A 19 2.208 1.556 11.473 1.00 0.00 C ATOM 261 O CYS A 19 2.050 2.768 11.616 1.00 0.00 O ATOM 262 CB CYS A 19 3.846 -0.213 10.842 1.00 50.52 C ATOM 263 SG CYS A 19 4.740 -0.992 9.455 1.00 21.14 S ATOM 264 OXT CYS A 19 1.617 0.704 12.312 1.00 0.00 O ATOM 265 H CYS A 19 4.333 2.722 10.604 1.00 24.44 H ATOM 266 HA CYS A 19 2.362 0.786 9.549 1.00 41.14 H ATOM 267 HB2 CYS A 19 4.585 0.086 11.601 1.00 75.42 H ATOM 268 HB3 CYS A 19 3.158 -0.949 11.288 1.00 53.22 H ATOM 269 HXT CYS A 19 1.112 1.201 12.959 1.00 0.00 H TER 270 CYS A 19 ENDMDL MODEL 4 ATOM 1 N GLY A 1 1.778 0.669 -0.360 1.00 74.34 N ATOM 2 CA GLY A 1 1.218 -0.614 -0.782 1.00 14.40 C ATOM 3 C GLY A 1 2.141 -1.553 -1.526 1.00 4.32 C ATOM 4 O GLY A 1 2.204 -1.462 -2.743 1.00 72.12 O ATOM 5 H1 GLY A 1 2.576 1.035 -0.843 1.00 60.23 H ATOM 6 HA2 GLY A 1 0.832 -1.161 0.087 1.00 73.05 H ATOM 7 HA3 GLY A 1 0.356 -0.402 -1.433 1.00 21.33 H ATOM 8 N LEU A 2 2.827 -2.480 -0.811 1.00 72.44 N ATOM 9 CA LEU A 2 3.445 -3.651 -1.445 1.00 62.42 C ATOM 10 C LEU A 2 2.709 -4.847 -0.855 1.00 61.43 C ATOM 11 O LEU A 2 2.210 -4.678 0.244 1.00 32.34 O ATOM 12 CB LEU A 2 4.978 -3.792 -1.160 1.00 33.44 C ATOM 13 CG LEU A 2 5.695 -2.542 -0.561 1.00 51.10 C ATOM 14 CD1 LEU A 2 7.162 -2.895 -0.174 1.00 53.22 C ATOM 15 CD2 LEU A 2 5.701 -1.325 -1.526 1.00 33.14 C ATOM 16 H LEU A 2 2.823 -2.460 0.189 1.00 2.25 H ATOM 17 HA LEU A 2 3.275 -3.628 -2.534 1.00 70.41 H ATOM 18 HB2 LEU A 2 5.112 -4.602 -0.427 1.00 12.23 H ATOM 19 HB3 LEU A 2 5.504 -4.095 -2.081 1.00 32.03 H ATOM 20 HG LEU A 2 5.185 -2.253 0.370 1.00 11.33 H ATOM 21 HD11 LEU A 2 7.725 -3.215 -1.063 1.00 53.23 H ATOM 22 HD12 LEU A 2 7.189 -3.707 0.568 1.00 1.44 H ATOM 23 HD13 LEU A 2 7.671 -2.023 0.267 1.00 24.42 H ATOM 24 HD21 LEU A 2 6.232 -1.579 -2.456 1.00 32.55 H ATOM 25 HD22 LEU A 2 6.213 -0.474 -1.049 1.00 54.01 H ATOM 26 HD23 LEU A 2 4.686 -0.998 -1.785 1.00 3.11 H ATOM 27 N PRO A 3 2.581 -6.064 -1.436 1.00 63.23 N ATOM 28 CA PRO A 3 1.890 -7.145 -0.729 1.00 4.23 C ATOM 29 C PRO A 3 2.753 -7.783 0.343 1.00 44.45 C ATOM 30 O PRO A 3 2.990 -8.977 0.267 1.00 41.03 O ATOM 31 CB PRO A 3 1.554 -8.048 -1.945 1.00 43.24 C ATOM 32 CG PRO A 3 2.769 -7.843 -2.880 1.00 5.14 C ATOM 33 CD PRO A 3 3.060 -6.326 -2.783 1.00 61.04 C ATOM 34 HA PRO A 3 0.958 -6.836 -0.232 1.00 30.25 H ATOM 35 HB2 PRO A 3 1.368 -9.102 -1.681 1.00 21.41 H ATOM 36 HB3 PRO A 3 0.657 -7.654 -2.455 1.00 1.03 H ATOM 37 HG2 PRO A 3 3.619 -8.399 -2.463 1.00 71.32 H ATOM 38 HG3 PRO A 3 2.590 -8.188 -3.912 1.00 53.30 H ATOM 39 HD2 PRO A 3 4.128 -6.097 -2.922 1.00 34.52 H ATOM 40 HD3 PRO A 3 2.445 -5.770 -3.509 1.00 31.35 H ATOM 41 N TRP A 4 3.205 -7.006 1.360 1.00 3.34 N ATOM 42 CA TRP A 4 3.989 -7.561 2.470 1.00 32.21 C ATOM 43 C TRP A 4 4.386 -6.427 3.408 1.00 53.31 C ATOM 44 O TRP A 4 5.523 -5.985 3.356 1.00 62.35 O ATOM 45 CB TRP A 4 5.210 -8.414 1.996 1.00 4.54 C ATOM 46 CG TRP A 4 5.807 -7.962 0.685 1.00 43.41 C ATOM 47 CD1 TRP A 4 6.451 -6.809 0.439 1.00 72.30 C ATOM 48 CD2 TRP A 4 5.800 -8.736 -0.611 1.00 12.12 C ATOM 49 NE1 TRP A 4 6.802 -6.759 -0.820 1.00 62.42 N ATOM 50 CE2 TRP A 4 6.422 -7.866 -1.487 1.00 71.04 C ATOM 51 CE3 TRP A 4 5.353 -9.993 -1.023 1.00 31.05 C ATOM 52 CZ2 TRP A 4 6.588 -8.172 -2.837 1.00 23.31 C ATOM 53 CZ3 TRP A 4 5.521 -10.319 -2.375 1.00 14.25 C ATOM 54 CH2 TRP A 4 6.121 -9.420 -3.270 1.00 20.32 C ATOM 55 H TRP A 4 2.959 -6.036 1.401 1.00 45.31 H ATOM 56 HA TRP A 4 3.333 -8.224 3.059 1.00 54.23 H ATOM 57 HB2 TRP A 4 5.997 -8.424 2.766 1.00 35.44 H ATOM 58 HB3 TRP A 4 4.898 -9.461 1.860 1.00 1.30 H ATOM 59 HD1 TRP A 4 6.652 -6.029 1.169 1.00 4.31 H ATOM 60 HE1 TRP A 4 7.311 -5.972 -1.250 1.00 42.33 H ATOM 61 HE3 TRP A 4 4.897 -10.690 -0.328 1.00 53.15 H ATOM 62 HZ2 TRP A 4 7.058 -7.471 -3.520 1.00 71.24 H ATOM 63 HZ3 TRP A 4 5.178 -11.284 -2.737 1.00 72.42 H ATOM 64 HH2 TRP A 4 6.223 -9.693 -4.316 1.00 1.22 H ATOM 65 N GLY A 5 3.471 -5.923 4.277 1.00 21.02 N ATOM 66 CA GLY A 5 3.832 -4.786 5.128 1.00 43.14 C ATOM 67 C GLY A 5 2.772 -4.411 6.151 1.00 63.33 C ATOM 68 O GLY A 5 2.385 -5.281 6.914 1.00 23.34 O ATOM 69 H GLY A 5 2.541 -6.291 4.328 1.00 54.03 H ATOM 70 HA2 GLY A 5 4.742 -5.024 5.699 1.00 25.14 H ATOM 71 HA3 GLY A 5 4.063 -3.941 4.462 1.00 4.13 H ATOM 72 N CYS A 6 2.307 -3.136 6.190 1.00 12.15 N ATOM 73 CA CYS A 6 1.365 -2.656 7.204 1.00 42.41 C ATOM 74 C CYS A 6 0.317 -1.757 6.572 1.00 31.21 C ATOM 75 O CYS A 6 0.612 -1.266 5.494 1.00 33.35 O ATOM 76 CB CYS A 6 2.161 -1.728 8.160 1.00 31.31 C ATOM 77 SG CYS A 6 3.570 -2.565 8.935 1.00 41.54 S ATOM 78 H CYS A 6 2.639 -2.452 5.545 1.00 20.25 H ATOM 79 HA CYS A 6 0.896 -3.493 7.746 1.00 5.43 H ATOM 80 HB2 CYS A 6 2.546 -0.867 7.594 1.00 14.14 H ATOM 81 HB3 CYS A 6 1.532 -1.344 8.972 1.00 22.13 H ATOM 82 N PRO A 7 -0.876 -1.472 7.159 1.00 23.22 N ATOM 83 CA PRO A 7 -1.799 -0.533 6.521 1.00 54.24 C ATOM 84 C PRO A 7 -1.278 0.892 6.563 1.00 25.14 C ATOM 85 O PRO A 7 -1.240 1.451 7.647 1.00 22.25 O ATOM 86 CB PRO A 7 -3.043 -0.717 7.432 1.00 42.44 C ATOM 87 CG PRO A 7 -2.461 -1.150 8.799 1.00 25.10 C ATOM 88 CD PRO A 7 -1.316 -2.105 8.398 1.00 43.04 C ATOM 89 HA PRO A 7 -2.048 -0.834 5.491 1.00 33.24 H ATOM 90 HB2 PRO A 7 -3.676 0.184 7.495 1.00 61.42 H ATOM 91 HB3 PRO A 7 -3.659 -1.547 7.044 1.00 13.33 H ATOM 92 HG2 PRO A 7 -2.039 -0.276 9.322 1.00 1.52 H ATOM 93 HG3 PRO A 7 -3.205 -1.625 9.458 1.00 61.32 H ATOM 94 HD2 PRO A 7 -0.576 -2.175 9.207 1.00 35.02 H ATOM 95 HD3 PRO A 7 -1.711 -3.107 8.175 1.00 30.42 H ATOM 96 N SER A 8 -0.900 1.506 5.411 1.00 51.15 N ATOM 97 CA SER A 8 -0.483 2.915 5.412 1.00 73.42 C ATOM 98 C SER A 8 -0.430 3.546 4.025 1.00 23.13 C ATOM 99 O SER A 8 -0.961 4.633 3.861 1.00 31.05 O ATOM 100 CB SER A 8 0.875 3.128 6.145 1.00 45.03 C ATOM 101 OG SER A 8 1.986 2.546 5.448 1.00 42.22 O ATOM 102 H SER A 8 -0.945 1.010 4.542 1.00 71.54 H ATOM 103 HA SER A 8 -1.248 3.472 5.979 1.00 15.41 H ATOM 104 HB2 SER A 8 1.059 4.206 6.300 1.00 14.11 H ATOM 105 HB3 SER A 8 0.851 2.653 7.135 1.00 44.51 H ATOM 106 HG SER A 8 2.190 3.008 4.643 1.00 24.41 H ATOM 107 N ASP A 9 0.205 2.911 3.009 1.00 11.24 N ATOM 108 CA ASP A 9 0.319 3.512 1.672 1.00 32.14 C ATOM 109 C ASP A 9 -0.995 3.336 0.935 1.00 33.30 C ATOM 110 O ASP A 9 -1.962 2.966 1.582 1.00 55.40 O ATOM 111 CB ASP A 9 1.479 2.809 0.897 1.00 64.11 C ATOM 112 CG ASP A 9 1.108 1.374 0.587 1.00 51.33 C ATOM 113 OD1 ASP A 9 0.176 0.880 1.204 1.00 30.32 O ATOM 114 H ASP A 9 0.586 1.997 3.148 1.00 63.11 H ATOM 115 HA ASP A 9 0.544 4.589 1.763 1.00 4.21 H ATOM 116 HB2 ASP A 9 1.716 3.332 -0.039 1.00 55.35 H ATOM 117 HB3 ASP A 9 2.387 2.874 1.510 1.00 41.21 H ATOM 118 N ILE A 10 -1.044 3.572 -0.402 1.00 73.35 N ATOM 119 CA ILE A 10 -2.252 3.322 -1.190 1.00 73.44 C ATOM 120 C ILE A 10 -3.010 2.099 -0.704 1.00 10.23 C ATOM 121 O ILE A 10 -2.346 1.162 -0.288 1.00 75.11 O ATOM 122 CB ILE A 10 -2.010 3.181 -2.738 1.00 34.12 C ATOM 123 CG1 ILE A 10 -1.136 1.963 -3.194 1.00 15.32 C ATOM 124 CG2 ILE A 10 -1.559 4.518 -3.395 1.00 62.04 C ATOM 125 CD1 ILE A 10 0.402 2.168 -3.182 1.00 2.24 C ATOM 126 H ILE A 10 -0.277 4.007 -0.865 1.00 35.30 H ATOM 127 HA ILE A 10 -2.873 4.212 -1.010 1.00 14.12 H ATOM 128 HB ILE A 10 -3.000 2.970 -3.177 1.00 64.42 H ATOM 129 HG12 ILE A 10 -1.379 1.078 -2.590 1.00 1.01 H ATOM 130 HG13 ILE A 10 -1.393 1.716 -4.240 1.00 74.41 H ATOM 131 HG21 ILE A 10 -0.582 4.854 -3.023 1.00 64.31 H ATOM 132 HG22 ILE A 10 -1.489 4.398 -4.487 1.00 14.42 H ATOM 133 HG23 ILE A 10 -2.292 5.313 -3.185 1.00 31.44 H ATOM 134 HD11 ILE A 10 0.705 2.969 -3.874 1.00 43.11 H ATOM 135 HD12 ILE A 10 0.766 2.407 -2.177 1.00 73.14 H ATOM 136 HD13 ILE A 10 0.899 1.240 -3.508 1.00 62.03 H ATOM 137 N PRO A 11 -4.369 2.023 -0.728 1.00 44.02 N ATOM 138 CA PRO A 11 -5.038 0.829 -0.220 1.00 62.12 C ATOM 139 C PRO A 11 -4.781 -0.414 -1.042 1.00 0.33 C ATOM 140 O PRO A 11 -5.159 -1.476 -0.571 1.00 63.42 O ATOM 141 CB PRO A 11 -6.521 1.277 -0.304 1.00 70.32 C ATOM 142 CG PRO A 11 -6.527 2.319 -1.446 1.00 13.53 C ATOM 143 CD PRO A 11 -5.223 3.110 -1.196 1.00 51.51 C ATOM 144 HA PRO A 11 -4.746 0.632 0.825 1.00 24.21 H ATOM 145 HB2 PRO A 11 -7.224 0.445 -0.477 1.00 55.22 H ATOM 146 HB3 PRO A 11 -6.807 1.790 0.630 1.00 74.21 H ATOM 147 HG2 PRO A 11 -6.457 1.793 -2.413 1.00 54.54 H ATOM 148 HG3 PRO A 11 -7.424 2.960 -1.451 1.00 35.54 H ATOM 149 HD2 PRO A 11 -4.915 3.619 -2.120 1.00 44.15 H ATOM 150 HD3 PRO A 11 -5.356 3.848 -0.389 1.00 10.13 H ATOM 151 N GLY A 12 -4.157 -0.337 -2.242 1.00 23.13 N ATOM 152 CA GLY A 12 -3.889 -1.549 -3.013 1.00 61.24 C ATOM 153 C GLY A 12 -3.311 -2.664 -2.171 1.00 0.21 C ATOM 154 O GLY A 12 -3.755 -3.791 -2.327 1.00 51.02 O ATOM 155 H GLY A 12 -3.897 0.539 -2.652 1.00 31.12 H ATOM 156 HA2 GLY A 12 -4.829 -1.872 -3.488 1.00 45.52 H ATOM 157 HA3 GLY A 12 -3.158 -1.348 -3.814 1.00 43.53 H ATOM 158 N TRP A 13 -2.322 -2.377 -1.288 1.00 5.12 N ATOM 159 CA TRP A 13 -1.691 -3.444 -0.507 1.00 24.44 C ATOM 160 C TRP A 13 -1.244 -2.919 0.851 1.00 32.21 C ATOM 161 O TRP A 13 -2.065 -2.265 1.475 1.00 52.41 O ATOM 162 CB TRP A 13 -0.562 -4.049 -1.383 1.00 35.23 C ATOM 163 CG TRP A 13 -0.982 -4.581 -2.724 1.00 42.22 C ATOM 164 CD1 TRP A 13 -0.728 -4.051 -3.933 1.00 23.33 C ATOM 165 CD2 TRP A 13 -1.753 -5.856 -2.954 1.00 74.41 C ATOM 166 NE1 TRP A 13 -1.227 -4.829 -4.860 1.00 61.25 N ATOM 167 CE2 TRP A 13 -1.833 -5.911 -4.333 1.00 23.13 C ATOM 168 CE3 TRP A 13 -2.305 -6.839 -2.135 1.00 43.32 C ATOM 169 CZ2 TRP A 13 -2.459 -6.973 -4.985 1.00 44.52 C ATOM 170 CZ3 TRP A 13 -2.947 -7.906 -2.778 1.00 51.33 C ATOM 171 CH2 TRP A 13 -3.018 -7.974 -4.178 1.00 64.51 C ATOM 172 H TRP A 13 -1.966 -1.445 -1.191 1.00 31.51 H ATOM 173 HA TRP A 13 -2.420 -4.240 -0.284 1.00 72.21 H ATOM 174 HB2 TRP A 13 0.220 -3.295 -1.535 1.00 70.51 H ATOM 175 HB3 TRP A 13 -0.133 -4.922 -0.882 1.00 13.30 H ATOM 176 HD1 TRP A 13 -0.185 -3.122 -4.108 1.00 24.45 H ATOM 177 HE1 TRP A 13 -1.155 -4.643 -5.872 1.00 35.11 H ATOM 178 HE3 TRP A 13 -2.238 -6.777 -1.053 1.00 71.34 H ATOM 179 HZ2 TRP A 13 -2.507 -7.019 -6.068 1.00 35.42 H ATOM 180 HZ3 TRP A 13 -3.397 -8.694 -2.180 1.00 40.52 H ATOM 181 HH2 TRP A 13 -3.513 -8.819 -4.648 1.00 62.44 H ATOM 182 N ASN A 14 -0.003 -3.176 1.345 1.00 60.12 N ATOM 183 CA ASN A 14 0.399 -2.781 2.699 1.00 22.40 C ATOM 184 C ASN A 14 1.860 -2.356 2.659 1.00 11.34 C ATOM 185 O ASN A 14 2.611 -3.049 1.995 1.00 42.11 O ATOM 186 CB ASN A 14 0.258 -4.041 3.607 1.00 71.23 C ATOM 187 CG ASN A 14 -0.797 -3.983 4.684 1.00 72.34 C ATOM 188 OD1 ASN A 14 -1.711 -3.178 4.600 1.00 53.23 O ATOM 189 ND2 ASN A 14 -0.698 -4.853 5.715 1.00 11.14 N ATOM 190 H ASN A 14 0.678 -3.706 0.842 1.00 52.22 H ATOM 191 HA ASN A 14 -0.199 -1.932 3.064 1.00 34.32 H ATOM 192 HB2 ASN A 14 0.029 -4.928 2.993 1.00 53.41 H ATOM 193 HB3 ASN A 14 1.223 -4.240 4.085 1.00 33.31 H ATOM 194 HD21 ASN A 14 0.050 -5.516 5.767 1.00 10.22 H ATOM 195 HD22 ASN A 14 -1.385 -4.850 6.441 1.00 41.30 H ATOM 196 N THR A 15 2.314 -1.270 3.328 1.00 2.10 N ATOM 197 CA THR A 15 3.709 -0.819 3.182 1.00 64.30 C ATOM 198 C THR A 15 4.484 -1.086 4.458 1.00 12.55 C ATOM 199 O THR A 15 3.911 -0.790 5.493 1.00 15.51 O ATOM 200 CB THR A 15 3.721 0.679 2.747 1.00 64.22 C ATOM 201 OG1 THR A 15 4.095 0.844 1.365 1.00 13.53 O ATOM 202 CG2 THR A 15 4.566 1.620 3.637 1.00 73.50 C ATOM 203 H THR A 15 1.705 -0.754 3.934 1.00 32.22 H ATOM 204 HA THR A 15 4.183 -1.364 2.361 1.00 42.14 H ATOM 205 HB THR A 15 2.693 1.039 2.831 1.00 42.00 H ATOM 206 HG1 THR A 15 5.001 0.602 1.200 1.00 61.34 H ATOM 207 HG21 THR A 15 4.244 1.553 4.684 1.00 12.51 H ATOM 208 HG22 THR A 15 4.464 2.664 3.303 1.00 54.32 H ATOM 209 HG23 THR A 15 5.619 1.340 3.565 1.00 21.13 H ATOM 210 N PRO A 16 5.732 -1.628 4.491 1.00 31.02 N ATOM 211 CA PRO A 16 6.392 -1.856 5.772 1.00 44.21 C ATOM 212 C PRO A 16 6.992 -0.590 6.349 1.00 35.34 C ATOM 213 O PRO A 16 7.085 -0.506 7.563 1.00 23.22 O ATOM 214 CB PRO A 16 7.484 -2.865 5.328 1.00 51.33 C ATOM 215 CG PRO A 16 7.814 -2.482 3.865 1.00 10.25 C ATOM 216 CD PRO A 16 6.441 -2.055 3.290 1.00 51.15 C ATOM 217 HA PRO A 16 5.709 -2.322 6.504 1.00 21.55 H ATOM 218 HB2 PRO A 16 8.366 -2.863 5.989 1.00 11.32 H ATOM 219 HB3 PRO A 16 7.055 -3.881 5.322 1.00 62.00 H ATOM 220 HG2 PRO A 16 8.522 -1.638 3.859 1.00 14.14 H ATOM 221 HG3 PRO A 16 8.273 -3.309 3.298 1.00 63.43 H ATOM 222 HD2 PRO A 16 6.557 -1.253 2.543 1.00 25.31 H ATOM 223 HD3 PRO A 16 5.933 -2.928 2.848 1.00 2.34 H ATOM 224 N TRP A 17 7.416 0.391 5.516 1.00 51.12 N ATOM 225 CA TRP A 17 8.102 1.581 6.022 1.00 72.14 C ATOM 226 C TRP A 17 7.381 2.166 7.222 1.00 12.20 C ATOM 227 O TRP A 17 7.947 2.144 8.304 1.00 54.22 O ATOM 228 CB TRP A 17 8.337 2.675 4.934 1.00 11.15 C ATOM 229 CG TRP A 17 8.852 2.089 3.643 1.00 72.32 C ATOM 230 CD1 TRP A 17 8.233 2.092 2.448 1.00 61.50 C ATOM 231 CD2 TRP A 17 10.163 1.370 3.449 1.00 73.12 C ATOM 232 NE1 TRP A 17 8.966 1.456 1.572 1.00 74.50 N ATOM 233 CE2 TRP A 17 10.110 1.003 2.118 1.00 21.51 C ATOM 234 CE3 TRP A 17 11.257 1.065 4.258 1.00 32.11 C ATOM 235 CZ2 TRP A 17 11.136 0.275 1.515 1.00 63.25 C ATOM 236 CZ3 TRP A 17 12.296 0.336 3.666 1.00 54.52 C ATOM 237 CH2 TRP A 17 12.235 -0.054 2.318 1.00 54.02 C ATOM 238 H TRP A 17 7.348 0.271 4.531 1.00 21.21 H ATOM 239 HA TRP A 17 9.094 1.233 6.352 1.00 33.31 H ATOM 240 HB2 TRP A 17 7.398 3.198 4.701 1.00 44.25 H ATOM 241 HB3 TRP A 17 9.055 3.425 5.301 1.00 53.01 H ATOM 242 HD1 TRP A 17 7.266 2.545 2.231 1.00 41.25 H ATOM 243 HE1 TRP A 17 8.699 1.317 0.585 1.00 34.32 H ATOM 244 HE3 TRP A 17 11.302 1.381 5.294 1.00 11.33 H ATOM 245 HZ2 TRP A 17 11.080 -0.019 0.472 1.00 14.52 H ATOM 246 HZ3 TRP A 17 13.164 0.070 4.261 1.00 45.41 H ATOM 247 HH2 TRP A 17 13.055 -0.621 1.888 1.00 0.10 H ATOM 248 N ALA A 18 6.137 2.677 7.058 1.00 12.42 N ATOM 249 CA ALA A 18 5.368 3.188 8.192 1.00 44.24 C ATOM 250 C ALA A 18 4.410 2.107 8.634 1.00 64.23 C ATOM 251 O ALA A 18 4.011 1.326 7.786 1.00 65.21 O ATOM 252 CB ALA A 18 4.547 4.441 7.792 1.00 42.53 C ATOM 253 H ALA A 18 5.683 2.662 6.169 1.00 13.00 H ATOM 254 HA ALA A 18 6.033 3.477 9.023 1.00 20.41 H ATOM 255 HB1 ALA A 18 5.224 5.235 7.441 1.00 24.22 H ATOM 256 HB2 ALA A 18 3.838 4.201 6.985 1.00 33.45 H ATOM 257 HB3 ALA A 18 3.977 4.817 8.657 1.00 25.53 H ATOM 258 N CYS A 19 4.031 2.054 9.934 1.00 71.34 N ATOM 259 CA CYS A 19 3.107 1.022 10.402 1.00 72.24 C ATOM 260 C CYS A 19 2.318 1.560 11.560 1.00 0.00 C ATOM 261 O CYS A 19 1.093 1.641 11.485 1.00 0.00 O ATOM 262 CB CYS A 19 3.886 -0.239 10.866 1.00 35.55 C ATOM 263 SG CYS A 19 4.765 -1.009 9.466 1.00 4.23 S ATOM 264 OXT CYS A 19 2.945 1.951 12.670 1.00 0.00 O ATOM 265 H CYS A 19 4.393 2.700 10.609 1.00 60.41 H ATOM 266 HA CYS A 19 2.391 0.765 9.606 1.00 10.35 H ATOM 267 HB2 CYS A 19 4.635 0.049 11.620 1.00 64.44 H ATOM 268 HB3 CYS A 19 3.199 -0.974 11.314 1.00 55.32 H ATOM 269 HXT CYS A 19 2.295 2.265 13.303 1.00 0.00 H TER 270 CYS A 19 ENDMDL MODEL 5 ATOM 1 N GLY A 1 1.734 0.671 -0.341 1.00 54.22 N ATOM 2 CA GLY A 1 1.186 -0.619 -0.752 1.00 73.23 C ATOM 3 C GLY A 1 2.115 -1.549 -1.502 1.00 72.01 C ATOM 4 O GLY A 1 2.169 -1.457 -2.718 1.00 2.33 O ATOM 5 H1 GLY A 1 2.510 1.051 -0.851 1.00 2.21 H ATOM 6 HA2 GLY A 1 0.817 -1.168 0.123 1.00 75.33 H ATOM 7 HA3 GLY A 1 0.315 -0.421 -1.395 1.00 0.25 H ATOM 8 N LEU A 2 2.817 -2.471 -0.793 1.00 31.21 N ATOM 9 CA LEU A 2 3.435 -3.639 -1.435 1.00 5.22 C ATOM 10 C LEU A 2 2.699 -4.838 -0.850 1.00 34.54 C ATOM 11 O LEU A 2 2.199 -4.671 0.248 1.00 54.45 O ATOM 12 CB LEU A 2 4.967 -3.787 -1.148 1.00 3.14 C ATOM 13 CG LEU A 2 5.692 -2.529 -0.577 1.00 61.22 C ATOM 14 CD1 LEU A 2 7.160 -2.879 -0.194 1.00 31.43 C ATOM 15 CD2 LEU A 2 5.690 -1.329 -1.564 1.00 34.35 C ATOM 16 H LEU A 2 2.823 -2.453 0.206 1.00 44.50 H ATOM 17 HA LEU A 2 3.267 -3.610 -2.525 1.00 31.15 H ATOM 18 HB2 LEU A 2 5.096 -4.580 -0.396 1.00 3.42 H ATOM 19 HB3 LEU A 2 5.490 -4.114 -2.062 1.00 53.40 H ATOM 20 HG LEU A 2 5.190 -2.222 0.353 1.00 60.22 H ATOM 21 HD11 LEU A 2 7.673 -2.003 0.232 1.00 51.53 H ATOM 22 HD12 LEU A 2 7.718 -3.211 -1.083 1.00 11.01 H ATOM 23 HD13 LEU A 2 7.191 -3.681 0.558 1.00 13.21 H ATOM 24 HD21 LEU A 2 6.210 -0.472 -1.107 1.00 35.10 H ATOM 25 HD22 LEU A 2 4.672 -1.005 -1.817 1.00 13.21 H ATOM 26 HD23 LEU A 2 6.210 -1.602 -2.494 1.00 32.12 H ATOM 27 N PRO A 3 2.576 -6.056 -1.433 1.00 54.52 N ATOM 28 CA PRO A 3 1.890 -7.140 -0.728 1.00 12.25 C ATOM 29 C PRO A 3 2.754 -7.775 0.345 1.00 20.30 C ATOM 30 O PRO A 3 2.996 -8.968 0.269 1.00 61.13 O ATOM 31 CB PRO A 3 1.558 -8.043 -1.944 1.00 34.31 C ATOM 32 CG PRO A 3 2.772 -7.832 -2.879 1.00 62.25 C ATOM 33 CD PRO A 3 3.057 -6.315 -2.779 1.00 21.11 C ATOM 34 HA PRO A 3 0.957 -6.834 -0.229 1.00 74.52 H ATOM 35 HB2 PRO A 3 1.376 -9.099 -1.681 1.00 41.42 H ATOM 36 HB3 PRO A 3 0.659 -7.653 -2.454 1.00 53.11 H ATOM 37 HG2 PRO A 3 3.625 -8.385 -2.462 1.00 73.21 H ATOM 38 HG3 PRO A 3 2.596 -8.178 -3.911 1.00 15.44 H ATOM 39 HD2 PRO A 3 4.124 -6.082 -2.918 1.00 21.34 H ATOM 40 HD3 PRO A 3 2.441 -5.759 -3.505 1.00 63.45 H ATOM 41 N TRP A 4 3.205 -6.995 1.361 1.00 12.40 N ATOM 42 CA TRP A 4 3.991 -7.547 2.471 1.00 11.42 C ATOM 43 C TRP A 4 4.391 -6.412 3.405 1.00 33.20 C ATOM 44 O TRP A 4 5.526 -5.968 3.348 1.00 71.43 O ATOM 45 CB TRP A 4 5.213 -8.400 1.996 1.00 62.23 C ATOM 46 CG TRP A 4 5.808 -7.948 0.684 1.00 5.41 C ATOM 47 CD1 TRP A 4 6.450 -6.794 0.436 1.00 15.41 C ATOM 48 CD2 TRP A 4 5.804 -8.725 -0.611 1.00 14.14 C ATOM 49 NE1 TRP A 4 6.801 -6.746 -0.824 1.00 45.42 N ATOM 50 CE2 TRP A 4 6.424 -7.855 -1.488 1.00 63.24 C ATOM 51 CE3 TRP A 4 5.359 -9.984 -1.021 1.00 61.44 C ATOM 52 CZ2 TRP A 4 6.590 -8.163 -2.838 1.00 5.01 C ATOM 53 CZ3 TRP A 4 5.527 -10.311 -2.372 1.00 54.44 C ATOM 54 CH2 TRP A 4 6.125 -9.412 -3.269 1.00 35.32 C ATOM 55 H TRP A 4 2.953 -6.026 1.404 1.00 75.23 H ATOM 56 HA TRP A 4 3.338 -8.211 3.063 1.00 44.21 H ATOM 57 HB2 TRP A 4 6.001 -8.408 2.765 1.00 15.33 H ATOM 58 HB3 TRP A 4 4.902 -9.448 1.861 1.00 20.01 H ATOM 59 HD1 TRP A 4 6.650 -6.012 1.163 1.00 2.42 H ATOM 60 HE1 TRP A 4 7.307 -5.957 -1.254 1.00 63.53 H ATOM 61 HE3 TRP A 4 4.904 -10.680 -0.325 1.00 51.32 H ATOM 62 HZ2 TRP A 4 7.059 -7.463 -3.522 1.00 22.44 H ATOM 63 HZ3 TRP A 4 5.186 -11.278 -2.733 1.00 64.21 H ATOM 64 HH2 TRP A 4 6.228 -9.688 -4.315 1.00 23.41 H ATOM 65 N GLY A 5 3.479 -5.908 4.278 1.00 34.21 N ATOM 66 CA GLY A 5 3.845 -4.771 5.127 1.00 33.35 C ATOM 67 C GLY A 5 2.791 -4.391 6.154 1.00 51.01 C ATOM 68 O GLY A 5 2.436 -5.247 6.946 1.00 43.44 O ATOM 69 H GLY A 5 2.550 -6.277 4.336 1.00 65.31 H ATOM 70 HA2 GLY A 5 4.755 -5.011 5.697 1.00 64.52 H ATOM 71 HA3 GLY A 5 4.078 -3.926 4.461 1.00 40.42 H ATOM 72 N CYS A 6 2.293 -3.127 6.163 1.00 71.03 N ATOM 73 CA CYS A 6 1.355 -2.647 7.180 1.00 52.12 C ATOM 74 C CYS A 6 0.302 -1.754 6.549 1.00 34.35 C ATOM 75 O CYS A 6 0.597 -1.260 5.473 1.00 20.35 O ATOM 76 CB CYS A 6 2.147 -1.712 8.131 1.00 52.34 C ATOM 77 SG CYS A 6 3.556 -2.538 8.918 1.00 24.12 S ATOM 78 H CYS A 6 2.596 -2.451 5.493 1.00 11.21 H ATOM 79 HA CYS A 6 0.888 -3.485 7.725 1.00 62.10 H ATOM 80 HB2 CYS A 6 2.530 -0.850 7.563 1.00 71.32 H ATOM 81 HB3 CYS A 6 1.514 -1.328 8.940 1.00 30.24 H ATOM 82 N PRO A 7 -0.895 -1.479 7.134 1.00 54.03 N ATOM 83 CA PRO A 7 -1.818 -0.540 6.498 1.00 70.34 C ATOM 84 C PRO A 7 -1.279 0.876 6.551 1.00 23.43 C ATOM 85 O PRO A 7 -1.114 1.382 7.649 1.00 53.21 O ATOM 86 CB PRO A 7 -3.063 -0.719 7.409 1.00 0.51 C ATOM 87 CG PRO A 7 -2.482 -1.160 8.774 1.00 14.25 C ATOM 88 CD PRO A 7 -1.334 -2.112 8.373 1.00 11.35 C ATOM 89 HA PRO A 7 -2.062 -0.841 5.467 1.00 13.33 H ATOM 90 HB2 PRO A 7 -3.691 0.186 7.473 1.00 35.31 H ATOM 91 HB3 PRO A 7 -3.683 -1.545 7.016 1.00 20.30 H ATOM 92 HG2 PRO A 7 -2.063 -0.289 9.303 1.00 14.51 H ATOM 93 HG3 PRO A 7 -3.227 -1.640 9.429 1.00 1.34 H ATOM 94 HD2 PRO A 7 -0.594 -2.177 9.182 1.00 53.15 H ATOM 95 HD3 PRO A 7 -1.725 -3.116 8.151 1.00 60.41 H ATOM 96 N SER A 8 -1.013 1.538 5.396 1.00 14.30 N ATOM 97 CA SER A 8 -0.525 2.920 5.418 1.00 30.23 C ATOM 98 C SER A 8 -0.507 3.542 4.030 1.00 55.45 C ATOM 99 O SER A 8 -1.127 4.576 3.832 1.00 65.00 O ATOM 100 CB SER A 8 0.904 2.998 6.021 1.00 1.14 C ATOM 101 OG SER A 8 1.759 2.069 5.337 1.00 21.43 O ATOM 102 H SER A 8 -1.158 1.095 4.508 1.00 52.15 H ATOM 103 HA SER A 8 -1.203 3.524 6.046 1.00 71.23 H ATOM 104 HB2 SER A 8 1.291 4.025 5.916 1.00 55.33 H ATOM 105 HB3 SER A 8 0.884 2.750 7.094 1.00 74.54 H ATOM 106 HG SER A 8 2.649 2.075 5.677 1.00 42.13 H ATOM 107 N ASP A 9 0.212 2.935 3.056 1.00 61.30 N ATOM 108 CA ASP A 9 0.309 3.505 1.705 1.00 63.33 C ATOM 109 C ASP A 9 -1.000 3.308 0.963 1.00 50.11 C ATOM 110 O ASP A 9 -1.963 2.915 1.603 1.00 3.53 O ATOM 111 CB ASP A 9 1.469 2.794 0.943 1.00 2.13 C ATOM 112 CG ASP A 9 1.095 1.359 0.639 1.00 13.53 C ATOM 113 OD1 ASP A 9 0.195 0.852 1.293 1.00 33.24 O ATOM 114 H ASP A 9 0.672 2.067 3.253 1.00 32.21 H ATOM 115 HA ASP A 9 0.524 4.585 1.778 1.00 40.22 H ATOM 116 HB2 ASP A 9 1.717 3.312 0.007 1.00 32.02 H ATOM 117 HB3 ASP A 9 2.366 2.865 1.572 1.00 53.21 H ATOM 118 N ILE A 10 -1.044 3.552 -0.373 1.00 2.44 N ATOM 119 CA ILE A 10 -2.246 3.305 -1.171 1.00 0.11 C ATOM 120 C ILE A 10 -3.008 2.080 -0.695 1.00 21.23 C ATOM 121 O ILE A 10 -2.347 1.138 -0.285 1.00 45.50 O ATOM 122 CB ILE A 10 -2.000 3.173 -2.720 1.00 54.52 C ATOM 123 CG1 ILE A 10 -1.129 1.956 -3.182 1.00 23.21 C ATOM 124 CG2 ILE A 10 -1.543 4.512 -3.367 1.00 61.00 C ATOM 125 CD1 ILE A 10 0.410 2.157 -3.153 1.00 54.02 C ATOM 126 H ILE A 10 -0.277 3.998 -0.828 1.00 73.44 H ATOM 127 HA ILE A 10 -2.868 4.194 -0.990 1.00 42.10 H ATOM 128 HB ILE A 10 -2.989 2.966 -3.164 1.00 62.14 H ATOM 129 HG12 ILE A 10 -1.381 1.066 -2.588 1.00 73.34 H ATOM 130 HG13 ILE A 10 -1.376 1.719 -4.233 1.00 51.24 H ATOM 131 HG21 ILE A 10 -1.469 4.399 -4.460 1.00 44.54 H ATOM 132 HG22 ILE A 10 -2.274 5.308 -3.155 1.00 34.24 H ATOM 133 HG23 ILE A 10 -0.565 4.843 -2.991 1.00 44.40 H ATOM 134 HD11 ILE A 10 0.908 1.228 -3.472 1.00 72.43 H ATOM 135 HD12 ILE A 10 0.722 2.957 -3.842 1.00 50.11 H ATOM 136 HD13 ILE A 10 0.759 2.398 -2.144 1.00 50.04 H ATOM 137 N PRO A 11 -4.368 2.009 -0.721 1.00 74.45 N ATOM 138 CA PRO A 11 -5.042 0.816 -0.218 1.00 42.32 C ATOM 139 C PRO A 11 -4.787 -0.426 -1.041 1.00 73.12 C ATOM 140 O PRO A 11 -5.164 -1.487 -0.570 1.00 25.33 O ATOM 141 CB PRO A 11 -6.524 1.269 -0.305 1.00 40.05 C ATOM 142 CG PRO A 11 -6.523 2.316 -1.442 1.00 71.33 C ATOM 143 CD PRO A 11 -5.217 3.101 -1.186 1.00 23.12 C ATOM 144 HA PRO A 11 -4.753 0.617 0.828 1.00 44.43 H ATOM 145 HB2 PRO A 11 -7.228 0.440 -0.482 1.00 24.10 H ATOM 146 HB3 PRO A 11 -6.811 1.780 0.631 1.00 52.22 H ATOM 147 HG2 PRO A 11 -6.452 1.794 -2.412 1.00 73.41 H ATOM 148 HG3 PRO A 11 -7.418 2.960 -1.448 1.00 11.22 H ATOM 149 HD2 PRO A 11 -4.905 3.612 -2.107 1.00 12.53 H ATOM 150 HD3 PRO A 11 -5.349 3.837 -0.376 1.00 75.11 H ATOM 151 N GLY A 12 -4.163 -0.347 -2.242 1.00 43.31 N ATOM 152 CA GLY A 12 -3.896 -1.559 -3.014 1.00 52.23 C ATOM 153 C GLY A 12 -3.316 -2.674 -2.174 1.00 31.41 C ATOM 154 O GLY A 12 -3.757 -3.802 -2.334 1.00 22.40 O ATOM 155 H GLY A 12 -3.902 0.529 -2.650 1.00 43.00 H ATOM 156 HA2 GLY A 12 -4.838 -1.882 -3.489 1.00 65.15 H ATOM 157 HA3 GLY A 12 -3.167 -1.357 -3.816 1.00 61.21 H ATOM 158 N TRP A 13 -2.330 -2.388 -1.288 1.00 34.10 N ATOM 159 CA TRP A 13 -1.695 -3.455 -0.511 1.00 52.14 C ATOM 160 C TRP A 13 -1.244 -2.930 0.846 1.00 23.41 C ATOM 161 O TRP A 13 -2.065 -2.277 1.472 1.00 54.23 O ATOM 162 CB TRP A 13 -0.568 -4.056 -1.391 1.00 43.31 C ATOM 163 CG TRP A 13 -0.989 -4.590 -2.731 1.00 52.21 C ATOM 164 CD1 TRP A 13 -0.742 -4.057 -3.940 1.00 74.43 C ATOM 165 CD2 TRP A 13 -1.753 -5.868 -2.958 1.00 32.53 C ATOM 166 NE1 TRP A 13 -1.240 -4.838 -4.866 1.00 62.24 N ATOM 167 CE2 TRP A 13 -1.836 -5.925 -4.337 1.00 54.04 C ATOM 168 CE3 TRP A 13 -2.298 -6.855 -2.138 1.00 33.32 C ATOM 169 CZ2 TRP A 13 -2.458 -6.990 -4.987 1.00 11.51 C ATOM 170 CZ3 TRP A 13 -2.934 -7.926 -2.779 1.00 24.51 C ATOM 171 CH2 TRP A 13 -3.008 -7.995 -4.179 1.00 10.03 C ATOM 172 H TRP A 13 -1.978 -1.455 -1.187 1.00 25.31 H ATOM 173 HA TRP A 13 -2.423 -4.252 -0.287 1.00 10.54 H ATOM 174 HB2 TRP A 13 0.212 -3.300 -1.544 1.00 31.01 H ATOM 175 HB3 TRP A 13 -0.135 -4.928 -0.891 1.00 62.51 H ATOM 176 HD1 TRP A 13 -0.205 -3.126 -4.116 1.00 40.51 H ATOM 177 HE1 TRP A 13 -1.171 -4.652 -5.878 1.00 52.20 H ATOM 178 HE3 TRP A 13 -2.228 -6.792 -1.057 1.00 31.31 H ATOM 179 HZ2 TRP A 13 -2.508 -7.037 -6.071 1.00 74.24 H ATOM 180 HZ3 TRP A 13 -3.377 -8.717 -2.180 1.00 1.11 H ATOM 181 HH2 TRP A 13 -3.498 -8.844 -4.648 1.00 71.32 H ATOM 182 N ASN A 14 -0.002 -3.186 1.338 1.00 54.01 N ATOM 183 CA ASN A 14 0.404 -2.788 2.690 1.00 10.20 C ATOM 184 C ASN A 14 1.864 -2.361 2.654 1.00 63.05 C ATOM 185 O ASN A 14 2.633 -3.087 2.047 1.00 54.25 O ATOM 186 CB ASN A 14 0.263 -4.048 3.598 1.00 41.23 C ATOM 187 CG ASN A 14 -0.801 -3.993 4.668 1.00 1.04 C ATOM 188 OD1 ASN A 14 -1.720 -3.195 4.575 1.00 44.14 O ATOM 189 ND2 ASN A 14 -0.703 -4.859 5.703 1.00 62.40 N ATOM 190 H ASN A 14 0.678 -3.716 0.834 1.00 10.12 H ATOM 191 HA ASN A 14 -0.199 -1.942 3.056 1.00 13.22 H ATOM 192 HB2 ASN A 14 0.045 -4.937 2.984 1.00 50.33 H ATOM 193 HB3 ASN A 14 1.225 -4.241 4.086 1.00 21.52 H ATOM 194 HD21 ASN A 14 0.050 -5.516 5.762 1.00 33.04 H ATOM 195 HD22 ASN A 14 -1.396 -4.859 6.424 1.00 5.44 H ATOM 196 N THR A 15 2.301 -1.236 3.270 1.00 44.13 N ATOM 197 CA THR A 15 3.704 -0.804 3.154 1.00 62.35 C ATOM 198 C THR A 15 4.460 -1.064 4.441 1.00 50.12 C ATOM 199 O THR A 15 3.881 -0.741 5.465 1.00 12.35 O ATOM 200 CB THR A 15 3.757 0.696 2.738 1.00 2.30 C ATOM 201 OG1 THR A 15 3.765 0.832 1.304 1.00 4.12 O ATOM 202 CG2 THR A 15 4.937 1.504 3.324 1.00 1.00 C ATOM 203 H THR A 15 1.674 -0.691 3.830 1.00 44.13 H ATOM 204 HA THR A 15 4.192 -1.355 2.345 1.00 12.33 H ATOM 205 HB THR A 15 2.854 1.179 3.125 1.00 52.23 H ATOM 206 HG1 THR A 15 4.557 0.493 0.899 1.00 63.22 H ATOM 207 HG21 THR A 15 4.855 2.563 3.033 1.00 24.13 H ATOM 208 HG22 THR A 15 5.869 1.098 2.919 1.00 34.44 H ATOM 209 HG23 THR A 15 4.949 1.449 4.420 1.00 61.24 H ATOM 210 N PRO A 16 5.706 -1.613 4.488 1.00 14.42 N ATOM 211 CA PRO A 16 6.358 -1.829 5.774 1.00 54.02 C ATOM 212 C PRO A 16 6.958 -0.561 6.349 1.00 44.02 C ATOM 213 O PRO A 16 7.067 -0.490 7.563 1.00 21.24 O ATOM 214 CB PRO A 16 7.460 -2.835 5.348 1.00 41.23 C ATOM 215 CG PRO A 16 7.799 -2.456 3.886 1.00 12.00 C ATOM 216 CD PRO A 16 6.424 -2.058 3.297 1.00 53.23 C ATOM 217 HA PRO A 16 5.671 -2.291 6.504 1.00 42.12 H ATOM 218 HB2 PRO A 16 8.337 -2.825 6.015 1.00 33.15 H ATOM 219 HB3 PRO A 16 7.038 -3.854 5.342 1.00 21.13 H ATOM 220 HG2 PRO A 16 8.487 -1.596 3.882 1.00 11.31 H ATOM 221 HG3 PRO A 16 8.279 -3.276 3.326 1.00 62.12 H ATOM 222 HD2 PRO A 16 6.544 -1.277 2.531 1.00 22.31 H ATOM 223 HD3 PRO A 16 5.925 -2.944 2.869 1.00 50.45 H ATOM 224 N TRP A 17 7.367 0.433 5.524 1.00 32.30 N ATOM 225 CA TRP A 17 8.062 1.613 6.042 1.00 24.32 C ATOM 226 C TRP A 17 7.334 2.192 7.240 1.00 65.14 C ATOM 227 O TRP A 17 7.872 2.105 8.333 1.00 55.15 O ATOM 228 CB TRP A 17 8.349 2.706 4.965 1.00 52.33 C ATOM 229 CG TRP A 17 8.885 2.137 3.673 1.00 3.02 C ATOM 230 CD1 TRP A 17 8.330 2.255 2.453 1.00 0.44 C ATOM 231 CD2 TRP A 17 10.141 1.321 3.496 1.00 20.31 C ATOM 232 NE1 TRP A 17 9.043 1.596 1.577 1.00 3.13 N ATOM 233 CE2 TRP A 17 10.115 1.016 2.148 1.00 1.04 C ATOM 234 CE3 TRP A 17 11.178 0.893 4.325 1.00 12.34 C ATOM 235 CZ2 TRP A 17 11.096 0.224 1.550 1.00 11.14 C ATOM 236 CZ3 TRP A 17 12.175 0.104 3.738 1.00 4.14 C ATOM 237 CH2 TRP A 17 12.132 -0.230 2.375 1.00 32.22 C ATOM 238 H TRP A 17 7.282 0.335 4.539 1.00 1.15 H ATOM 239 HA TRP A 17 9.041 1.245 6.389 1.00 24.13 H ATOM 240 HB2 TRP A 17 7.424 3.248 4.718 1.00 60.33 H ATOM 241 HB3 TRP A 17 9.070 3.440 5.357 1.00 22.53 H ATOM 242 HD1 TRP A 17 7.422 2.809 2.218 1.00 63.40 H ATOM 243 HE1 TRP A 17 8.812 1.530 0.574 1.00 51.23 H ATOM 244 HE3 TRP A 17 11.216 1.165 5.374 1.00 44.52 H ATOM 245 HZ2 TRP A 17 11.051 -0.026 0.495 1.00 11.13 H ATOM 246 HZ3 TRP A 17 12.997 -0.254 4.350 1.00 41.33 H ATOM 247 HH2 TRP A 17 12.916 -0.849 1.950 1.00 54.42 H ATOM 248 N ALA A 18 6.118 2.769 7.075 1.00 63.21 N ATOM 249 CA ALA A 18 5.350 3.247 8.223 1.00 32.35 C ATOM 250 C ALA A 18 4.390 2.153 8.626 1.00 43.43 C ATOM 251 O ALA A 18 4.021 1.372 7.763 1.00 53.22 O ATOM 252 CB ALA A 18 4.533 4.517 7.869 1.00 53.32 C ATOM 253 H ALA A 18 5.676 2.819 6.181 1.00 22.34 H ATOM 254 HA ALA A 18 6.016 3.504 9.063 1.00 51.23 H ATOM 255 HB1 ALA A 18 3.967 4.866 8.748 1.00 31.41 H ATOM 256 HB2 ALA A 18 5.213 5.318 7.543 1.00 43.41 H ATOM 257 HB3 ALA A 18 3.820 4.308 7.056 1.00 34.23 H ATOM 258 N CYS A 19 3.976 2.091 9.915 1.00 1.35 N ATOM 259 CA CYS A 19 3.046 1.052 10.355 1.00 11.15 C ATOM 260 C CYS A 19 2.187 1.568 11.473 1.00 0.00 C ATOM 261 O CYS A 19 2.172 2.770 11.732 1.00 0.00 O ATOM 262 CB CYS A 19 3.825 -0.200 10.842 1.00 32.32 C ATOM 263 SG CYS A 19 4.734 -0.972 9.462 1.00 25.43 S ATOM 264 OXT CYS A 19 1.440 0.722 12.185 1.00 0.00 O ATOM 265 H CYS A 19 4.314 2.737 10.603 1.00 12.11 H ATOM 266 HA CYS A 19 2.343 0.800 9.548 1.00 43.03 H ATOM 267 HB2 CYS A 19 4.557 0.098 11.609 1.00 13.11 H ATOM 268 HB3 CYS A 19 3.135 -0.938 11.280 1.00 72.41 H ATOM 269 HXT CYS A 19 0.959 1.217 12.852 1.00 0.00 H TER 270 CYS A 19 ENDMDL MODEL 6 ATOM 1 N GLY A 1 1.775 0.670 -0.358 1.00 62.43 N ATOM 2 CA GLY A 1 1.216 -0.613 -0.776 1.00 64.03 C ATOM 3 C GLY A 1 2.140 -1.550 -1.522 1.00 65.51 C ATOM 4 O GLY A 1 2.196 -1.465 -2.738 1.00 63.02 O ATOM 5 H1 GLY A 1 2.572 1.035 -0.846 1.00 61.43 H ATOM 6 HA2 GLY A 1 0.836 -1.161 0.095 1.00 31.33 H ATOM 7 HA3 GLY A 1 0.350 -0.404 -1.423 1.00 23.33 H ATOM 8 N LEU A 2 2.830 -2.476 -0.808 1.00 74.32 N ATOM 9 CA LEU A 2 3.450 -3.645 -1.441 1.00 64.41 C ATOM 10 C LEU A 2 2.713 -4.843 -0.855 1.00 2.24 C ATOM 11 O LEU A 2 2.210 -4.673 0.242 1.00 14.24 O ATOM 12 CB LEU A 2 4.980 -3.784 -1.148 1.00 63.04 C ATOM 13 CG LEU A 2 5.699 -2.524 -0.574 1.00 11.34 C ATOM 14 CD1 LEU A 2 7.166 -2.869 -0.183 1.00 65.31 C ATOM 15 CD2 LEU A 2 5.702 -1.325 -1.561 1.00 55.42 C ATOM 16 H LEU A 2 2.828 -2.454 0.190 1.00 70.13 H ATOM 17 HA LEU A 2 3.288 -3.618 -2.530 1.00 14.02 H ATOM 18 HB2 LEU A 2 5.110 -4.575 -0.395 1.00 72.12 H ATOM 19 HB3 LEU A 2 5.508 -4.112 -2.059 1.00 35.04 H ATOM 20 HG LEU A 2 5.192 -2.215 0.352 1.00 64.10 H ATOM 21 HD11 LEU A 2 7.673 -1.991 0.246 1.00 24.35 H ATOM 22 HD12 LEU A 2 7.731 -3.201 -1.067 1.00 65.33 H ATOM 23 HD13 LEU A 2 7.194 -3.671 0.570 1.00 21.01 H ATOM 24 HD21 LEU A 2 6.232 -1.597 -2.486 1.00 50.41 H ATOM 25 HD22 LEU A 2 6.213 -0.465 -1.102 1.00 42.34 H ATOM 26 HD23 LEU A 2 4.686 -1.005 -1.825 1.00 73.45 H ATOM 27 N PRO A 3 2.588 -6.060 -1.436 1.00 2.34 N ATOM 28 CA PRO A 3 1.900 -7.141 -0.729 1.00 2.34 C ATOM 29 C PRO A 3 2.763 -7.776 0.345 1.00 4.10 C ATOM 30 O PRO A 3 3.003 -8.969 0.271 1.00 44.21 O ATOM 31 CB PRO A 3 1.567 -8.045 -1.944 1.00 41.23 C ATOM 32 CG PRO A 3 2.782 -7.841 -2.878 1.00 53.53 C ATOM 33 CD PRO A 3 3.071 -6.323 -2.781 1.00 64.42 C ATOM 34 HA PRO A 3 0.968 -6.833 -0.232 1.00 34.24 H ATOM 35 HB2 PRO A 3 1.383 -9.099 -1.680 1.00 22.11 H ATOM 36 HB3 PRO A 3 0.671 -7.656 -2.456 1.00 3.22 H ATOM 37 HG2 PRO A 3 3.633 -8.394 -2.459 1.00 4.03 H ATOM 38 HG3 PRO A 3 2.608 -8.186 -3.910 1.00 14.34 H ATOM 39 HD2 PRO A 3 4.139 -6.091 -2.916 1.00 42.24 H ATOM 40 HD3 PRO A 3 2.458 -5.767 -3.508 1.00 15.12 H ATOM 41 N TRP A 4 3.210 -6.997 1.363 1.00 62.21 N ATOM 42 CA TRP A 4 3.995 -7.549 2.474 1.00 4.00 C ATOM 43 C TRP A 4 4.392 -6.415 3.411 1.00 52.50 C ATOM 44 O TRP A 4 5.528 -5.972 3.360 1.00 25.44 O ATOM 45 CB TRP A 4 5.219 -8.399 2.000 1.00 71.34 C ATOM 46 CG TRP A 4 5.815 -7.946 0.690 1.00 1.40 C ATOM 47 CD1 TRP A 4 6.453 -6.790 0.442 1.00 30.50 C ATOM 48 CD2 TRP A 4 5.814 -8.722 -0.605 1.00 3.23 C ATOM 49 NE1 TRP A 4 6.806 -6.741 -0.817 1.00 72.33 N ATOM 50 CE2 TRP A 4 6.432 -7.851 -1.482 1.00 51.04 C ATOM 51 CE3 TRP A 4 5.373 -9.983 -1.015 1.00 60.45 C ATOM 52 CZ2 TRP A 4 6.601 -8.159 -2.831 1.00 41.20 C ATOM 53 CZ3 TRP A 4 5.544 -10.310 -2.366 1.00 14.45 C ATOM 54 CH2 TRP A 4 6.140 -9.410 -3.263 1.00 24.11 C ATOM 55 H TRP A 4 2.962 -6.028 1.404 1.00 0.24 H ATOM 56 HA TRP A 4 3.340 -8.212 3.064 1.00 70.43 H ATOM 57 HB2 TRP A 4 6.006 -8.407 2.770 1.00 2.52 H ATOM 58 HB3 TRP A 4 4.909 -9.447 1.864 1.00 21.20 H ATOM 59 HD1 TRP A 4 6.649 -6.007 1.171 1.00 35.41 H ATOM 60 HE1 TRP A 4 7.310 -5.951 -1.247 1.00 75.24 H ATOM 61 HE3 TRP A 4 4.918 -10.680 -0.320 1.00 51.13 H ATOM 62 HZ2 TRP A 4 7.068 -7.457 -3.515 1.00 33.14 H ATOM 63 HZ3 TRP A 4 5.206 -11.278 -2.727 1.00 74.32 H ATOM 64 HH2 TRP A 4 6.245 -9.685 -4.308 1.00 22.30 H ATOM 65 N GLY A 5 3.478 -5.911 4.281 1.00 11.05 N ATOM 66 CA GLY A 5 3.841 -4.778 5.137 1.00 34.21 C ATOM 67 C GLY A 5 2.782 -4.401 6.160 1.00 40.31 C ATOM 68 O GLY A 5 2.397 -5.269 6.926 1.00 63.54 O ATOM 69 H GLY A 5 2.546 -6.276 4.332 1.00 21.12 H ATOM 70 HA2 GLY A 5 4.748 -5.022 5.712 1.00 54.10 H ATOM 71 HA3 GLY A 5 4.081 -3.933 4.473 1.00 62.23 H ATOM 72 N CYS A 6 2.314 -3.126 6.194 1.00 30.20 N ATOM 73 CA CYS A 6 1.369 -2.645 7.205 1.00 11.15 C ATOM 74 C CYS A 6 0.321 -1.751 6.569 1.00 42.53 C ATOM 75 O CYS A 6 0.616 -1.263 5.490 1.00 4.31 O ATOM 76 CB CYS A 6 2.160 -1.712 8.159 1.00 32.15 C ATOM 77 SG CYS A 6 3.567 -2.548 8.942 1.00 4.52 S ATOM 78 H CYS A 6 2.644 -2.446 5.545 1.00 45.23 H ATOM 79 HA CYS A 6 0.901 -3.482 7.748 1.00 13.53 H ATOM 80 HB2 CYS A 6 2.550 -0.855 7.592 1.00 32.32 H ATOM 81 HB3 CYS A 6 1.529 -1.322 8.968 1.00 41.24 H ATOM 82 N PRO A 7 -0.875 -1.470 7.152 1.00 61.21 N ATOM 83 CA PRO A 7 -1.799 -0.535 6.513 1.00 10.23 C ATOM 84 C PRO A 7 -1.281 0.890 6.557 1.00 15.31 C ATOM 85 O PRO A 7 -1.245 1.448 7.642 1.00 51.22 O ATOM 86 CB PRO A 7 -3.046 -0.721 7.419 1.00 61.35 C ATOM 87 CG PRO A 7 -2.466 -1.151 8.788 1.00 51.04 C ATOM 88 CD PRO A 7 -1.315 -2.103 8.391 1.00 34.02 C ATOM 89 HA PRO A 7 -2.044 -0.835 5.482 1.00 51.41 H ATOM 90 HB2 PRO A 7 -3.682 0.178 7.480 1.00 1.51 H ATOM 91 HB3 PRO A 7 -3.657 -1.553 7.030 1.00 74.00 H ATOM 92 HG2 PRO A 7 -2.048 -0.276 9.313 1.00 64.12 H ATOM 93 HG3 PRO A 7 -3.209 -1.629 9.447 1.00 13.40 H ATOM 94 HD2 PRO A 7 -0.576 -2.166 9.201 1.00 23.34 H ATOM 95 HD3 PRO A 7 -1.705 -3.107 8.170 1.00 43.40 H ATOM 96 N SER A 8 -0.899 1.505 5.406 1.00 64.34 N ATOM 97 CA SER A 8 -0.475 2.912 5.405 1.00 41.41 C ATOM 98 C SER A 8 -0.425 3.549 4.023 1.00 22.14 C ATOM 99 O SER A 8 -0.956 4.638 3.867 1.00 72.34 O ATOM 100 CB SER A 8 0.883 3.117 6.138 1.00 72.13 C ATOM 101 OG SER A 8 1.994 2.531 5.445 1.00 21.14 O ATOM 102 H SER A 8 -0.946 1.009 4.538 1.00 65.01 H ATOM 103 HA SER A 8 -1.237 3.470 5.977 1.00 35.33 H ATOM 104 HB2 SER A 8 1.080 4.192 6.295 1.00 42.10 H ATOM 105 HB3 SER A 8 0.842 2.644 7.129 1.00 54.25 H ATOM 106 HG SER A 8 2.195 2.984 4.632 1.00 23.32 H ATOM 107 N ASP A 9 0.206 2.914 3.005 1.00 3.54 N ATOM 108 CA ASP A 9 0.314 3.518 1.669 1.00 12.34 C ATOM 109 C ASP A 9 -0.998 3.338 0.932 1.00 32.21 C ATOM 110 O ASP A 9 -1.963 2.964 1.579 1.00 40.01 O ATOM 111 CB ASP A 9 1.475 2.815 0.895 1.00 43.42 C ATOM 112 CG ASP A 9 1.106 1.379 0.586 1.00 23.24 C ATOM 113 OD1 ASP A 9 0.176 0.884 1.205 1.00 3.14 O ATOM 114 H ASP A 9 0.584 2.001 3.144 1.00 45.41 H ATOM 115 HA ASP A 9 0.539 4.594 1.764 1.00 23.11 H ATOM 116 HB2 ASP A 9 1.709 3.334 -0.044 1.00 30.32 H ATOM 117 HB3 ASP A 9 2.384 2.883 1.505 1.00 63.44 H ATOM 118 N ILE A 10 -1.049 3.580 -0.404 1.00 44.43 N ATOM 119 CA ILE A 10 -2.257 3.324 -1.193 1.00 45.32 C ATOM 120 C ILE A 10 -3.010 2.099 -0.706 1.00 55.51 C ATOM 121 O ILE A 10 -2.341 1.164 -0.292 1.00 53.04 O ATOM 122 CB ILE A 10 -2.015 3.182 -2.740 1.00 15.34 C ATOM 123 CG1 ILE A 10 -1.138 1.967 -3.197 1.00 42.02 C ATOM 124 CG2 ILE A 10 -1.566 4.519 -3.399 1.00 65.25 C ATOM 125 CD1 ILE A 10 0.400 2.169 -3.167 1.00 52.21 C ATOM 126 H ILE A 10 -0.284 4.019 -0.865 1.00 10.42 H ATOM 127 HA ILE A 10 -2.880 4.212 -1.013 1.00 12.51 H ATOM 128 HB ILE A 10 -3.002 2.966 -3.180 1.00 3.30 H ATOM 129 HG12 ILE A 10 -1.390 1.078 -2.600 1.00 20.45 H ATOM 130 HG13 ILE A 10 -1.384 1.725 -4.246 1.00 31.55 H ATOM 131 HG21 ILE A 10 -1.493 4.398 -4.491 1.00 74.11 H ATOM 132 HG22 ILE A 10 -2.301 5.311 -3.191 1.00 12.24 H ATOM 133 HG23 ILE A 10 -0.590 4.859 -3.027 1.00 41.24 H ATOM 134 HD11 ILE A 10 0.900 1.243 -3.495 1.00 53.22 H ATOM 135 HD12 ILE A 10 0.712 2.974 -3.849 1.00 2.52 H ATOM 136 HD13 ILE A 10 0.753 2.399 -2.157 1.00 41.13 H ATOM 137 N PRO A 11 -4.369 2.018 -0.726 1.00 0.05 N ATOM 138 CA PRO A 11 -5.033 0.824 -0.215 1.00 55.32 C ATOM 139 C PRO A 11 -4.774 -0.420 -1.036 1.00 11.22 C ATOM 140 O PRO A 11 -5.141 -1.482 -0.558 1.00 12.25 O ATOM 141 CB PRO A 11 -6.518 1.267 -0.298 1.00 32.25 C ATOM 142 CG PRO A 11 -6.528 2.307 -1.441 1.00 2.13 C ATOM 143 CD PRO A 11 -5.227 3.102 -1.196 1.00 11.43 C ATOM 144 HA PRO A 11 -4.739 0.631 0.830 1.00 4.13 H ATOM 145 HB2 PRO A 11 -7.218 0.433 -0.468 1.00 42.54 H ATOM 146 HB3 PRO A 11 -6.805 1.780 0.635 1.00 15.41 H ATOM 147 HG2 PRO A 11 -6.458 1.780 -2.409 1.00 41.22 H ATOM 148 HG3 PRO A 11 -7.427 2.945 -1.448 1.00 22.43 H ATOM 149 HD2 PRO A 11 -4.919 3.610 -2.120 1.00 33.20 H ATOM 150 HD3 PRO A 11 -5.361 3.842 -0.389 1.00 32.41 H ATOM 151 N GLY A 12 -4.157 -0.341 -2.240 1.00 51.43 N ATOM 152 CA GLY A 12 -3.887 -1.553 -3.011 1.00 24.32 C ATOM 153 C GLY A 12 -3.308 -2.667 -2.169 1.00 52.32 C ATOM 154 O GLY A 12 -3.750 -3.794 -2.326 1.00 33.44 O ATOM 155 H GLY A 12 -3.907 0.536 -2.653 1.00 32.13 H ATOM 156 HA2 GLY A 12 -4.827 -1.876 -3.488 1.00 32.43 H ATOM 157 HA3 GLY A 12 -3.156 -1.350 -3.811 1.00 73.51 H ATOM 158 N TRP A 13 -2.320 -2.379 -1.285 1.00 31.40 N ATOM 159 CA TRP A 13 -1.688 -3.445 -0.505 1.00 1.15 C ATOM 160 C TRP A 13 -1.240 -2.918 0.853 1.00 31.01 C ATOM 161 O TRP A 13 -2.059 -2.260 1.475 1.00 23.12 O ATOM 162 CB TRP A 13 -0.560 -4.050 -1.382 1.00 41.33 C ATOM 163 CG TRP A 13 -0.983 -4.583 -2.721 1.00 41.53 C ATOM 164 CD1 TRP A 13 -0.738 -4.050 -3.930 1.00 51.15 C ATOM 165 CD2 TRP A 13 -1.747 -5.861 -2.947 1.00 65.00 C ATOM 166 NE1 TRP A 13 -1.237 -4.831 -4.856 1.00 34.14 N ATOM 167 CE2 TRP A 13 -1.834 -5.917 -4.326 1.00 5.34 C ATOM 168 CE3 TRP A 13 -2.291 -6.848 -2.126 1.00 51.21 C ATOM 169 CZ2 TRP A 13 -2.458 -6.982 -4.976 1.00 64.32 C ATOM 170 CZ3 TRP A 13 -2.929 -7.918 -2.767 1.00 63.13 C ATOM 171 CH2 TRP A 13 -3.006 -7.987 -4.167 1.00 40.31 C ATOM 172 H TRP A 13 -1.966 -1.447 -1.187 1.00 21.13 H ATOM 173 HA TRP A 13 -2.417 -4.242 -0.281 1.00 5.21 H ATOM 174 HB2 TRP A 13 0.221 -3.295 -1.534 1.00 43.31 H ATOM 175 HB3 TRP A 13 -0.130 -4.922 -0.881 1.00 42.13 H ATOM 176 HD1 TRP A 13 -0.201 -3.119 -4.108 1.00 54.12 H ATOM 177 HE1 TRP A 13 -1.171 -4.643 -5.868 1.00 53.02 H ATOM 178 HE3 TRP A 13 -2.218 -6.786 -1.045 1.00 51.43 H ATOM 179 HZ2 TRP A 13 -2.511 -7.028 -6.059 1.00 23.12 H ATOM 180 HZ3 TRP A 13 -3.372 -8.709 -2.167 1.00 52.44 H ATOM 181 HH2 TRP A 13 -3.499 -8.834 -4.635 1.00 31.24 H ATOM 182 N ASN A 14 0.001 -3.178 1.347 1.00 23.44 N ATOM 183 CA ASN A 14 0.406 -2.778 2.699 1.00 40.35 C ATOM 184 C ASN A 14 1.864 -2.352 2.656 1.00 61.23 C ATOM 185 O ASN A 14 2.618 -3.047 1.997 1.00 24.32 O ATOM 186 CB ASN A 14 0.268 -4.035 3.612 1.00 62.45 C ATOM 187 CG ASN A 14 -0.803 -3.983 4.676 1.00 25.03 C ATOM 188 OD1 ASN A 14 -1.722 -3.186 4.577 1.00 53.31 O ATOM 189 ND2 ASN A 14 -0.709 -4.849 5.710 1.00 1.15 N ATOM 190 H ASN A 14 0.680 -3.712 0.846 1.00 14.32 H ATOM 191 HA ASN A 14 -0.195 -1.931 3.065 1.00 25.25 H ATOM 192 HB2 ASN A 14 0.062 -4.928 2.999 1.00 40.41 H ATOM 193 HB3 ASN A 14 1.227 -4.216 4.108 1.00 24.21 H ATOM 194 HD21 ASN A 14 0.044 -5.506 5.773 1.00 45.14 H ATOM 195 HD22 ASN A 14 -1.406 -4.849 6.427 1.00 71.10 H ATOM 196 N THR A 15 2.316 -1.262 3.321 1.00 31.21 N ATOM 197 CA THR A 15 3.710 -0.808 3.174 1.00 44.23 C ATOM 198 C THR A 15 4.484 -1.070 4.451 1.00 23.11 C ATOM 199 O THR A 15 3.909 -0.775 5.486 1.00 61.03 O ATOM 200 CB THR A 15 3.719 0.687 2.735 1.00 4.34 C ATOM 201 OG1 THR A 15 4.066 0.848 1.347 1.00 3.32 O ATOM 202 CG2 THR A 15 4.587 1.628 3.605 1.00 1.52 C ATOM 203 H THR A 15 1.706 -0.746 3.924 1.00 51.35 H ATOM 204 HA THR A 15 4.186 -1.353 2.355 1.00 13.23 H ATOM 205 HB THR A 15 2.696 1.055 2.843 1.00 14.00 H ATOM 206 HG1 THR A 15 4.967 0.602 1.164 1.00 70.02 H ATOM 207 HG21 THR A 15 5.639 1.345 3.507 1.00 62.04 H ATOM 208 HG22 THR A 15 4.290 1.564 4.661 1.00 64.12 H ATOM 209 HG23 THR A 15 4.480 2.673 3.272 1.00 2.00 H ATOM 210 N PRO A 16 5.729 -1.621 4.488 1.00 51.23 N ATOM 211 CA PRO A 16 6.384 -1.855 5.770 1.00 10.43 C ATOM 212 C PRO A 16 6.987 -0.593 6.354 1.00 24.42 C ATOM 213 O PRO A 16 7.091 -0.521 7.568 1.00 51.11 O ATOM 214 CB PRO A 16 7.477 -2.862 5.325 1.00 11.11 C ATOM 215 CG PRO A 16 7.814 -2.470 3.867 1.00 44.53 C ATOM 216 CD PRO A 16 6.442 -2.043 3.287 1.00 11.30 C ATOM 217 HA PRO A 16 5.698 -2.322 6.497 1.00 22.42 H ATOM 218 HB2 PRO A 16 8.356 -2.866 5.989 1.00 20.03 H ATOM 219 HB3 PRO A 16 7.046 -3.877 5.309 1.00 70.41 H ATOM 220 HG2 PRO A 16 8.517 -1.621 3.868 1.00 24.12 H ATOM 221 HG3 PRO A 16 8.278 -3.290 3.294 1.00 22.12 H ATOM 222 HD2 PRO A 16 6.559 -1.239 2.542 1.00 33.33 H ATOM 223 HD3 PRO A 16 5.935 -2.916 2.843 1.00 13.04 H ATOM 224 N TRP A 17 7.409 0.393 5.528 1.00 3.12 N ATOM 225 CA TRP A 17 8.105 1.574 6.042 1.00 25.53 C ATOM 226 C TRP A 17 7.377 2.163 7.235 1.00 75.21 C ATOM 227 O TRP A 17 7.931 2.132 8.323 1.00 53.15 O ATOM 228 CB TRP A 17 8.369 2.666 4.958 1.00 33.13 C ATOM 229 CG TRP A 17 8.860 2.074 3.660 1.00 33.11 C ATOM 230 CD1 TRP A 17 8.243 2.121 2.466 1.00 74.33 C ATOM 231 CD2 TRP A 17 10.134 1.295 3.459 1.00 45.33 C ATOM 232 NE1 TRP A 17 8.946 1.460 1.582 1.00 5.40 N ATOM 233 CE2 TRP A 17 10.064 0.945 2.124 1.00 55.13 C ATOM 234 CE3 TRP A 17 11.212 0.926 4.264 1.00 52.21 C ATOM 235 CZ2 TRP A 17 11.052 0.171 1.514 1.00 11.52 C ATOM 236 CZ3 TRP A 17 12.212 0.151 3.664 1.00 11.35 C ATOM 237 CH2 TRP A 17 12.132 -0.223 2.313 1.00 64.31 C ATOM 238 H TRP A 17 7.329 0.285 4.544 1.00 60.54 H ATOM 239 HA TRP A 17 9.088 1.212 6.382 1.00 1.43 H ATOM 240 HB2 TRP A 17 7.445 3.218 4.732 1.00 5.12 H ATOM 241 HB3 TRP A 17 9.110 3.394 5.326 1.00 21.04 H ATOM 242 HD1 TRP A 17 7.300 2.624 2.253 1.00 60.01 H ATOM 243 HE1 TRP A 17 8.673 1.346 0.594 1.00 51.23 H ATOM 244 HE3 TRP A 17 11.273 1.229 5.304 1.00 22.13 H ATOM 245 HZ2 TRP A 17 10.981 -0.109 0.468 1.00 31.31 H ATOM 246 HZ3 TRP A 17 13.065 -0.166 4.257 1.00 51.24 H ATOM 247 HH2 TRP A 17 12.922 -0.827 1.878 1.00 5.34 H ATOM 248 N ALA A 18 6.142 2.690 7.059 1.00 12.25 N ATOM 249 CA ALA A 18 5.368 3.206 8.188 1.00 21.53 C ATOM 250 C ALA A 18 4.411 2.126 8.633 1.00 12.33 C ATOM 251 O ALA A 18 4.006 1.345 7.786 1.00 43.41 O ATOM 252 CB ALA A 18 4.546 4.455 7.778 1.00 33.54 C ATOM 253 H ALA A 18 5.696 2.682 6.166 1.00 32.02 H ATOM 254 HA ALA A 18 6.030 3.503 9.018 1.00 54.33 H ATOM 255 HB1 ALA A 18 5.221 5.249 7.424 1.00 22.02 H ATOM 256 HB2 ALA A 18 3.839 4.208 6.970 1.00 50.44 H ATOM 257 HB3 ALA A 18 3.974 4.833 8.640 1.00 34.31 H ATOM 258 N CYS A 19 4.038 2.072 9.934 1.00 13.22 N ATOM 259 CA CYS A 19 3.110 1.045 10.405 1.00 53.21 C ATOM 260 C CYS A 19 2.324 1.593 11.560 1.00 0.00 C ATOM 261 O CYS A 19 1.116 1.792 11.443 1.00 0.00 O ATOM 262 CB CYS A 19 3.880 -0.219 10.871 1.00 33.44 C ATOM 263 SG CYS A 19 4.761 -0.990 9.473 1.00 51.53 S ATOM 264 OXT CYS A 19 2.936 1.865 12.714 1.00 0.00 O ATOM 265 H CYS A 19 4.405 2.716 10.609 1.00 24.43 H ATOM 266 HA CYS A 19 2.392 0.786 9.612 1.00 21.33 H ATOM 267 HB2 CYS A 19 4.628 0.066 11.627 1.00 53.52 H ATOM 268 HB3 CYS A 19 3.189 -0.951 11.318 1.00 22.55 H ATOM 269 HXT CYS A 19 2.290 2.205 13.338 1.00 0.00 H TER 270 CYS A 19 ENDMDL MODEL 7 ATOM 1 N GLY A 1 1.779 0.671 -0.348 1.00 13.21 N ATOM 2 CA GLY A 1 1.217 -0.613 -0.765 1.00 60.21 C ATOM 3 C GLY A 1 2.135 -1.552 -1.514 1.00 54.24 C ATOM 4 O GLY A 1 2.192 -1.461 -2.731 1.00 35.42 O ATOM 5 H1 GLY A 1 2.574 1.036 -0.839 1.00 71.32 H ATOM 6 HA2 GLY A 1 0.836 -1.157 0.108 1.00 11.22 H ATOM 7 HA3 GLY A 1 0.351 -0.402 -1.410 1.00 52.43 H ATOM 8 N LEU A 2 2.824 -2.482 -0.803 1.00 11.24 N ATOM 9 CA LEU A 2 3.440 -3.651 -1.441 1.00 32.33 C ATOM 10 C LEU A 2 2.702 -4.848 -0.855 1.00 4.51 C ATOM 11 O LEU A 2 2.201 -4.680 0.243 1.00 1.42 O ATOM 12 CB LEU A 2 4.971 -3.795 -1.150 1.00 30.42 C ATOM 13 CG LEU A 2 5.692 -2.539 -0.567 1.00 50.14 C ATOM 14 CD1 LEU A 2 7.157 -2.890 -0.175 1.00 12.13 C ATOM 15 CD2 LEU A 2 5.699 -1.335 -1.547 1.00 4.13 C ATOM 16 H LEU A 2 2.823 -2.463 0.197 1.00 4.10 H ATOM 17 HA LEU A 2 3.273 -3.624 -2.530 1.00 1.01 H ATOM 18 HB2 LEU A 2 5.101 -4.594 -0.404 1.00 64.54 H ATOM 19 HB3 LEU A 2 5.499 -4.114 -2.065 1.00 75.35 H ATOM 20 HG LEU A 2 5.182 -2.236 0.360 1.00 74.12 H ATOM 21 HD11 LEU A 2 7.667 -2.014 0.256 1.00 53.24 H ATOM 22 HD12 LEU A 2 7.721 -3.221 -1.060 1.00 32.22 H ATOM 23 HD13 LEU A 2 7.182 -3.694 0.576 1.00 11.41 H ATOM 24 HD21 LEU A 2 6.206 -0.476 -1.078 1.00 41.00 H ATOM 25 HD22 LEU A 2 4.684 -1.016 -1.815 1.00 32.44 H ATOM 26 HD23 LEU A 2 6.236 -1.599 -2.471 1.00 71.12 H ATOM 27 N PRO A 3 2.575 -6.065 -1.436 1.00 53.44 N ATOM 28 CA PRO A 3 1.885 -7.147 -0.730 1.00 13.41 C ATOM 29 C PRO A 3 2.747 -7.783 0.343 1.00 22.25 C ATOM 30 O PRO A 3 2.986 -8.977 0.268 1.00 24.50 O ATOM 31 CB PRO A 3 1.550 -8.050 -1.946 1.00 63.31 C ATOM 32 CG PRO A 3 2.765 -7.844 -2.880 1.00 75.33 C ATOM 33 CD PRO A 3 3.055 -6.327 -2.782 1.00 33.41 C ATOM 34 HA PRO A 3 0.952 -6.839 -0.233 1.00 21.42 H ATOM 35 HB2 PRO A 3 1.365 -9.104 -1.682 1.00 2.30 H ATOM 36 HB3 PRO A 3 0.653 -7.657 -2.456 1.00 74.24 H ATOM 37 HG2 PRO A 3 3.615 -8.399 -2.462 1.00 5.01 H ATOM 38 HG3 PRO A 3 2.587 -8.189 -3.912 1.00 14.41 H ATOM 39 HD2 PRO A 3 4.123 -6.097 -2.921 1.00 64.44 H ATOM 40 HD3 PRO A 3 2.441 -5.770 -3.509 1.00 5.22 H ATOM 41 N TRP A 4 3.198 -7.005 1.360 1.00 74.31 N ATOM 42 CA TRP A 4 3.983 -7.558 2.471 1.00 53.55 C ATOM 43 C TRP A 4 4.379 -6.424 3.408 1.00 2.05 C ATOM 44 O TRP A 4 5.514 -5.979 3.354 1.00 1.41 O ATOM 45 CB TRP A 4 5.205 -8.410 1.997 1.00 34.55 C ATOM 46 CG TRP A 4 5.802 -7.959 0.687 1.00 44.13 C ATOM 47 CD1 TRP A 4 6.445 -6.805 0.439 1.00 4.24 C ATOM 48 CD2 TRP A 4 5.796 -8.734 -0.609 1.00 25.41 C ATOM 49 NE1 TRP A 4 6.797 -6.757 -0.820 1.00 73.23 N ATOM 50 CE2 TRP A 4 6.418 -7.865 -1.485 1.00 1.12 C ATOM 51 CE3 TRP A 4 5.350 -9.992 -1.020 1.00 51.41 C ATOM 52 CZ2 TRP A 4 6.584 -8.172 -2.835 1.00 3.50 C ATOM 53 CZ3 TRP A 4 5.519 -10.319 -2.371 1.00 4.42 C ATOM 54 CH2 TRP A 4 6.118 -9.420 -3.267 1.00 63.43 C ATOM 55 H TRP A 4 2.950 -6.035 1.401 1.00 23.30 H ATOM 56 HA TRP A 4 3.328 -8.222 3.060 1.00 53.33 H ATOM 57 HB2 TRP A 4 5.992 -8.418 2.768 1.00 12.34 H ATOM 58 HB3 TRP A 4 4.895 -9.458 1.863 1.00 60.53 H ATOM 59 HD1 TRP A 4 6.646 -6.025 1.169 1.00 62.14 H ATOM 60 HE1 TRP A 4 7.305 -5.969 -1.249 1.00 4.31 H ATOM 61 HE3 TRP A 4 4.894 -10.689 -0.325 1.00 34.34 H ATOM 62 HZ2 TRP A 4 7.054 -7.472 -3.519 1.00 0.40 H ATOM 63 HZ3 TRP A 4 5.177 -11.285 -2.732 1.00 31.22 H ATOM 64 HH2 TRP A 4 6.221 -9.695 -4.313 1.00 73.21 H ATOM 65 N GLY A 5 3.465 -5.921 4.278 1.00 53.14 N ATOM 66 CA GLY A 5 3.824 -4.784 5.129 1.00 43.51 C ATOM 67 C GLY A 5 2.762 -4.407 6.148 1.00 74.31 C ATOM 68 O GLY A 5 2.363 -5.277 6.904 1.00 10.12 O ATOM 69 H GLY A 5 2.536 -6.293 4.333 1.00 71.14 H ATOM 70 HA2 GLY A 5 4.733 -5.023 5.704 1.00 65.15 H ATOM 71 HA3 GLY A 5 4.059 -3.939 4.463 1.00 23.02 H ATOM 72 N CYS A 6 2.305 -3.128 6.190 1.00 51.13 N ATOM 73 CA CYS A 6 1.359 -2.646 7.199 1.00 21.03 C ATOM 74 C CYS A 6 0.320 -1.743 6.559 1.00 11.24 C ATOM 75 O CYS A 6 0.627 -1.252 5.485 1.00 32.34 O ATOM 76 CB CYS A 6 2.154 -1.723 8.159 1.00 34.14 C ATOM 77 SG CYS A 6 3.564 -2.570 8.924 1.00 31.21 S ATOM 78 H CYS A 6 2.648 -2.443 5.551 1.00 53.43 H ATOM 79 HA CYS A 6 0.882 -3.482 7.738 1.00 32.32 H ATOM 80 HB2 CYS A 6 2.540 -0.858 7.598 1.00 61.44 H ATOM 81 HB3 CYS A 6 1.527 -1.345 8.975 1.00 2.13 H ATOM 82 N PRO A 7 -0.879 -1.451 7.133 1.00 31.22 N ATOM 83 CA PRO A 7 -1.785 -0.504 6.486 1.00 1.35 C ATOM 84 C PRO A 7 -1.230 0.907 6.528 1.00 30.52 C ATOM 85 O PRO A 7 -0.986 1.385 7.624 1.00 32.35 O ATOM 86 CB PRO A 7 -3.036 -0.657 7.392 1.00 41.34 C ATOM 87 CG PRO A 7 -2.467 -1.102 8.762 1.00 3.13 C ATOM 88 CD PRO A 7 -1.334 -2.076 8.370 1.00 64.21 C ATOM 89 HA PRO A 7 -2.028 -0.811 5.456 1.00 12.31 H ATOM 90 HB2 PRO A 7 -3.647 0.259 7.452 1.00 22.52 H ATOM 91 HB3 PRO A 7 -3.669 -1.473 7.003 1.00 20.44 H ATOM 92 HG2 PRO A 7 -2.035 -0.234 9.286 1.00 64.11 H ATOM 93 HG3 PRO A 7 -3.222 -1.565 9.418 1.00 3.40 H ATOM 94 HD2 PRO A 7 -0.599 -2.154 9.182 1.00 1.32 H ATOM 95 HD3 PRO A 7 -1.743 -3.073 8.146 1.00 33.54 H ATOM 96 N SER A 8 -1.036 1.590 5.371 1.00 30.22 N ATOM 97 CA SER A 8 -0.526 2.965 5.386 1.00 30.45 C ATOM 98 C SER A 8 -0.495 3.578 3.993 1.00 64.24 C ATOM 99 O SER A 8 -1.108 4.614 3.786 1.00 63.12 O ATOM 100 CB SER A 8 0.907 3.045 5.986 1.00 31.54 C ATOM 101 OG SER A 8 1.778 2.095 5.357 1.00 3.52 O ATOM 102 H SER A 8 -1.249 1.171 4.484 1.00 52.21 H ATOM 103 HA SER A 8 -1.198 3.580 6.008 1.00 34.03 H ATOM 104 HB2 SER A 8 1.321 4.050 5.810 1.00 4.32 H ATOM 105 HB3 SER A 8 0.907 2.877 7.076 1.00 75.53 H ATOM 106 HG SER A 8 1.530 1.194 5.539 1.00 32.02 H ATOM 107 N ASP A 9 0.225 2.964 3.024 1.00 24.14 N ATOM 108 CA ASP A 9 0.331 3.527 1.669 1.00 10.41 C ATOM 109 C ASP A 9 -0.983 3.333 0.934 1.00 22.12 C ATOM 110 O ASP A 9 -1.944 2.946 1.580 1.00 53.02 O ATOM 111 CB ASP A 9 1.489 2.816 0.899 1.00 73.42 C ATOM 112 CG ASP A 9 1.116 1.379 0.600 1.00 12.51 C ATOM 113 OD1 ASP A 9 0.190 0.887 1.229 1.00 53.23 O ATOM 114 H ASP A 9 0.674 2.093 3.225 1.00 73.43 H ATOM 115 HA ASP A 9 0.548 4.607 1.738 1.00 33.41 H ATOM 116 HB2 ASP A 9 1.718 3.330 -0.043 1.00 55.10 H ATOM 117 HB3 ASP A 9 2.401 2.890 1.505 1.00 34.21 H ATOM 118 N ILE A 10 -1.036 3.574 -0.402 1.00 53.03 N ATOM 119 CA ILE A 10 -2.243 3.321 -1.191 1.00 21.43 C ATOM 120 C ILE A 10 -3.003 2.099 -0.706 1.00 13.23 C ATOM 121 O ILE A 10 -2.341 1.160 -0.291 1.00 52.13 O ATOM 122 CB ILE A 10 -2.002 3.179 -2.739 1.00 13.14 C ATOM 123 CG1 ILE A 10 -1.128 1.961 -3.195 1.00 75.32 C ATOM 124 CG2 ILE A 10 -1.551 4.515 -3.397 1.00 74.32 C ATOM 125 CD1 ILE A 10 0.410 2.164 -3.175 1.00 30.31 C ATOM 126 H ILE A 10 -0.274 4.019 -0.863 1.00 33.25 H ATOM 127 HA ILE A 10 -2.864 4.211 -1.013 1.00 10.15 H ATOM 128 HB ILE A 10 -2.991 2.968 -3.179 1.00 11.14 H ATOM 129 HG12 ILE A 10 -1.374 1.074 -2.592 1.00 54.51 H ATOM 130 HG13 ILE A 10 -1.381 1.715 -4.242 1.00 73.32 H ATOM 131 HG21 ILE A 10 -2.283 5.311 -3.187 1.00 51.04 H ATOM 132 HG22 ILE A 10 -0.572 4.851 -3.027 1.00 12.35 H ATOM 133 HG23 ILE A 10 -1.481 4.395 -4.490 1.00 55.02 H ATOM 134 HD11 ILE A 10 0.908 1.235 -3.497 1.00 64.04 H ATOM 135 HD12 ILE A 10 0.717 2.964 -3.867 1.00 45.10 H ATOM 136 HD13 ILE A 10 0.767 2.405 -2.168 1.00 72.15 H ATOM 137 N PRO A 11 -4.363 2.026 -0.730 1.00 63.44 N ATOM 138 CA PRO A 11 -5.035 0.833 -0.223 1.00 54.53 C ATOM 139 C PRO A 11 -4.780 -0.411 -1.045 1.00 14.13 C ATOM 140 O PRO A 11 -5.159 -1.471 -0.573 1.00 1.02 O ATOM 141 CB PRO A 11 -6.517 1.284 -0.309 1.00 63.14 C ATOM 142 CG PRO A 11 -6.519 2.327 -1.450 1.00 25.51 C ATOM 143 CD PRO A 11 -5.214 3.115 -1.199 1.00 64.13 C ATOM 144 HA PRO A 11 -4.745 0.636 0.822 1.00 15.14 H ATOM 145 HB2 PRO A 11 -7.221 0.454 -0.483 1.00 72.21 H ATOM 146 HB3 PRO A 11 -6.803 1.798 0.625 1.00 54.21 H ATOM 147 HG2 PRO A 11 -6.450 1.802 -2.418 1.00 32.11 H ATOM 148 HG3 PRO A 11 -7.415 2.970 -1.456 1.00 65.13 H ATOM 149 HD2 PRO A 11 -4.905 3.624 -2.122 1.00 42.23 H ATOM 150 HD3 PRO A 11 -5.347 3.853 -0.391 1.00 72.25 H ATOM 151 N GLY A 12 -4.155 -0.334 -2.244 1.00 61.55 N ATOM 152 CA GLY A 12 -3.888 -1.547 -3.015 1.00 61.42 C ATOM 153 C GLY A 12 -3.311 -2.662 -2.172 1.00 23.54 C ATOM 154 O GLY A 12 -3.756 -3.789 -2.327 1.00 50.52 O ATOM 155 H GLY A 12 -3.894 0.541 -2.655 1.00 44.25 H ATOM 156 HA2 GLY A 12 -4.829 -1.870 -3.490 1.00 21.15 H ATOM 157 HA3 GLY A 12 -3.158 -1.347 -3.816 1.00 32.13 H ATOM 158 N TRP A 13 -2.322 -2.376 -1.289 1.00 41.42 N ATOM 159 CA TRP A 13 -1.691 -3.443 -0.508 1.00 12.33 C ATOM 160 C TRP A 13 -1.241 -2.918 0.850 1.00 0.30 C ATOM 161 O TRP A 13 -2.060 -2.260 1.473 1.00 64.13 O ATOM 162 CB TRP A 13 -0.565 -4.050 -1.385 1.00 44.42 C ATOM 163 CG TRP A 13 -0.984 -4.582 -2.726 1.00 2.13 C ATOM 164 CD1 TRP A 13 -0.728 -4.052 -3.935 1.00 12.00 C ATOM 165 CD2 TRP A 13 -1.758 -5.854 -2.957 1.00 2.14 C ATOM 166 NE1 TRP A 13 -1.227 -4.829 -4.862 1.00 14.12 N ATOM 167 CE2 TRP A 13 -1.836 -5.910 -4.335 1.00 61.21 C ATOM 168 CE3 TRP A 13 -2.314 -6.836 -2.138 1.00 62.40 C ATOM 169 CZ2 TRP A 13 -2.464 -6.970 -4.988 1.00 12.52 C ATOM 170 CZ3 TRP A 13 -2.958 -7.901 -2.782 1.00 63.32 C ATOM 171 CH2 TRP A 13 -3.026 -7.970 -4.183 1.00 1.22 C ATOM 172 H TRP A 13 -1.966 -1.444 -1.192 1.00 34.12 H ATOM 173 HA TRP A 13 -2.422 -4.238 -0.283 1.00 72.23 H ATOM 174 HB2 TRP A 13 0.219 -3.298 -1.536 1.00 63.24 H ATOM 175 HB3 TRP A 13 -0.138 -4.924 -0.883 1.00 13.25 H ATOM 176 HD1 TRP A 13 -0.182 -3.125 -4.109 1.00 3.24 H ATOM 177 HE1 TRP A 13 -1.153 -4.643 -5.874 1.00 61.30 H ATOM 178 HE3 TRP A 13 -2.249 -6.774 -1.057 1.00 51.33 H ATOM 179 HZ2 TRP A 13 -2.510 -7.017 -6.072 1.00 53.42 H ATOM 180 HZ3 TRP A 13 -3.411 -8.688 -2.185 1.00 75.13 H ATOM 181 HH2 TRP A 13 -3.522 -8.814 -4.653 1.00 53.22 H ATOM 182 N ASN A 14 -0.001 -3.179 1.344 1.00 51.10 N ATOM 183 CA ASN A 14 0.403 -2.784 2.697 1.00 30.44 C ATOM 184 C ASN A 14 1.865 -2.364 2.660 1.00 62.10 C ATOM 185 O ASN A 14 2.617 -3.060 1.999 1.00 31.25 O ATOM 186 CB ASN A 14 0.256 -4.043 3.606 1.00 25.11 C ATOM 187 CG ASN A 14 -0.798 -3.979 4.685 1.00 23.02 C ATOM 188 OD1 ASN A 14 -1.709 -3.171 4.601 1.00 72.13 O ATOM 189 ND2 ASN A 14 -0.701 -4.848 5.716 1.00 33.22 N ATOM 190 H ASN A 14 0.677 -3.712 0.842 1.00 62.31 H ATOM 191 HA ASN A 14 -0.193 -1.933 3.061 1.00 32.41 H ATOM 192 HB2 ASN A 14 0.021 -4.928 2.993 1.00 63.23 H ATOM 193 HB3 ASN A 14 1.220 -4.246 4.083 1.00 14.53 H ATOM 194 HD21 ASN A 14 0.044 -5.515 5.768 1.00 3.42 H ATOM 195 HD22 ASN A 14 -1.388 -4.841 6.444 1.00 11.33 H ATOM 196 N THR A 15 2.319 -1.275 3.327 1.00 14.45 N ATOM 197 CA THR A 15 3.712 -0.818 3.180 1.00 23.34 C ATOM 198 C THR A 15 4.488 -1.078 4.456 1.00 62.33 C ATOM 199 O THR A 15 3.917 -0.777 5.491 1.00 62.44 O ATOM 200 CB THR A 15 3.720 0.677 2.736 1.00 21.42 C ATOM 201 OG1 THR A 15 4.171 0.846 1.377 1.00 4.13 O ATOM 202 CG2 THR A 15 4.475 1.656 3.669 1.00 40.20 C ATOM 203 H THR A 15 1.707 -0.760 3.928 1.00 20.51 H ATOM 204 HA THR A 15 4.184 -1.365 2.359 1.00 44.01 H ATOM 205 HB THR A 15 2.678 1.002 2.746 1.00 32.41 H ATOM 206 HG1 THR A 15 5.091 0.624 1.270 1.00 70.52 H ATOM 207 HG21 THR A 15 4.343 2.693 3.325 1.00 3.34 H ATOM 208 HG22 THR A 15 5.544 1.427 3.655 1.00 71.31 H ATOM 209 HG23 THR A 15 4.106 1.583 4.698 1.00 51.52 H ATOM 210 N PRO A 16 5.734 -1.624 4.490 1.00 51.41 N ATOM 211 CA PRO A 16 6.392 -1.856 5.771 1.00 60.34 C ATOM 212 C PRO A 16 7.001 -0.593 6.345 1.00 4.11 C ATOM 213 O PRO A 16 7.128 -0.523 7.558 1.00 41.31 O ATOM 214 CB PRO A 16 7.482 -2.865 5.325 1.00 63.20 C ATOM 215 CG PRO A 16 7.818 -2.468 3.868 1.00 61.23 C ATOM 216 CD PRO A 16 6.444 -2.050 3.289 1.00 12.42 C ATOM 217 HA PRO A 16 5.709 -2.319 6.504 1.00 74.12 H ATOM 218 HB2 PRO A 16 8.362 -2.871 5.989 1.00 10.54 H ATOM 219 HB3 PRO A 16 7.050 -3.880 5.308 1.00 32.25 H ATOM 220 HG2 PRO A 16 8.515 -1.614 3.873 1.00 44.20 H ATOM 221 HG3 PRO A 16 8.289 -3.284 3.296 1.00 64.32 H ATOM 222 HD2 PRO A 16 6.558 -1.249 2.541 1.00 33.44 H ATOM 223 HD3 PRO A 16 5.940 -2.926 2.849 1.00 71.20 H ATOM 224 N TRP A 17 7.398 0.398 5.513 1.00 10.45 N ATOM 225 CA TRP A 17 8.094 1.583 6.020 1.00 1.12 C ATOM 226 C TRP A 17 7.373 2.168 7.218 1.00 32.01 C ATOM 227 O TRP A 17 7.946 2.169 8.296 1.00 65.11 O ATOM 228 CB TRP A 17 8.328 2.678 4.934 1.00 40.02 C ATOM 229 CG TRP A 17 8.840 2.088 3.645 1.00 41.42 C ATOM 230 CD1 TRP A 17 8.215 2.079 2.453 1.00 41.43 C ATOM 231 CD2 TRP A 17 10.155 1.377 3.450 1.00 53.32 C ATOM 232 NE1 TRP A 17 8.950 1.446 1.577 1.00 3.31 N ATOM 233 CE2 TRP A 17 10.100 1.005 2.120 1.00 42.32 C ATOM 234 CE3 TRP A 17 11.253 1.080 4.256 1.00 70.55 C ATOM 235 CZ2 TRP A 17 11.130 0.283 1.516 1.00 32.24 C ATOM 236 CZ3 TRP A 17 12.294 0.356 3.663 1.00 1.34 C ATOM 237 CH2 TRP A 17 12.233 -0.038 2.317 1.00 2.11 C ATOM 238 H TRP A 17 7.298 0.296 4.529 1.00 42.12 H ATOM 239 HA TRP A 17 9.085 1.231 6.350 1.00 32.41 H ATOM 240 HB2 TRP A 17 7.390 3.204 4.707 1.00 73.11 H ATOM 241 HB3 TRP A 17 9.049 3.426 5.301 1.00 5.15 H ATOM 242 HD1 TRP A 17 7.243 2.523 2.241 1.00 21.14 H ATOM 243 HE1 TRP A 17 8.680 1.301 0.591 1.00 52.31 H ATOM 244 HE3 TRP A 17 11.299 1.399 5.291 1.00 0.11 H ATOM 245 HZ2 TRP A 17 11.073 -0.013 0.473 1.00 42.54 H ATOM 246 HZ3 TRP A 17 13.165 0.096 4.257 1.00 33.30 H ATOM 247 HH2 TRP A 17 13.056 -0.601 1.886 1.00 25.45 H ATOM 248 N ALA A 18 6.120 2.656 7.053 1.00 73.51 N ATOM 249 CA ALA A 18 5.351 3.176 8.182 1.00 60.31 C ATOM 250 C ALA A 18 4.403 2.094 8.640 1.00 1.43 C ATOM 251 O ALA A 18 3.983 1.317 7.797 1.00 73.11 O ATOM 252 CB ALA A 18 4.518 4.417 7.768 1.00 33.32 C ATOM 253 H ALA A 18 5.661 2.616 6.167 1.00 53.42 H ATOM 254 HA ALA A 18 6.018 3.483 9.006 1.00 25.34 H ATOM 255 HB1 ALA A 18 3.810 4.159 6.965 1.00 44.13 H ATOM 256 HB2 ALA A 18 3.946 4.800 8.628 1.00 2.11 H ATOM 257 HB3 ALA A 18 5.188 5.211 7.405 1.00 43.10 H ATOM 258 N CYS A 19 4.054 2.035 9.949 1.00 52.21 N ATOM 259 CA CYS A 19 3.141 1.002 10.437 1.00 24.22 C ATOM 260 C CYS A 19 2.356 1.514 11.609 1.00 0.00 C ATOM 261 O CYS A 19 2.527 2.665 12.008 1.00 0.00 O ATOM 262 CB CYS A 19 3.929 -0.264 10.871 1.00 41.44 C ATOM 263 SG CYS A 19 4.776 -1.023 9.445 1.00 71.24 S ATOM 264 OXT CYS A 19 1.473 0.721 12.218 1.00 0.00 O ATOM 265 H CYS A 19 4.431 2.678 10.618 1.00 61.01 H ATOM 266 HA CYS A 19 2.391 0.757 9.672 1.00 51.44 H ATOM 267 HB2 CYS A 19 4.694 0.019 11.610 1.00 2.20 H ATOM 268 HB3 CYS A 19 3.253 -1.004 11.327 1.00 35.20 H ATOM 269 HXT CYS A 19 1.064 1.204 12.940 1.00 0.00 H TER 270 CYS A 19 ENDMDL MODEL 8 ATOM 1 N GLY A 1 1.756 0.686 -0.305 1.00 14.32 N ATOM 2 CA GLY A 1 1.262 -0.651 -0.612 1.00 52.12 C ATOM 3 C GLY A 1 2.179 -1.569 -1.389 1.00 3.03 C ATOM 4 O GLY A 1 2.203 -1.469 -2.606 1.00 24.31 O ATOM 5 H1 GLY A 1 2.522 1.059 -0.838 1.00 52.35 H ATOM 6 HA2 GLY A 1 0.979 -1.162 0.320 1.00 42.20 H ATOM 7 HA3 GLY A 1 0.339 -0.548 -1.204 1.00 15.44 H ATOM 8 N LEU A 2 2.891 -2.497 -0.701 1.00 32.10 N ATOM 9 CA LEU A 2 3.501 -3.656 -1.360 1.00 21.54 C ATOM 10 C LEU A 2 2.738 -4.852 -0.805 1.00 32.21 C ATOM 11 O LEU A 2 2.226 -4.689 0.289 1.00 10.13 O ATOM 12 CB LEU A 2 5.012 -3.816 -1.000 1.00 25.30 C ATOM 13 CG LEU A 2 5.767 -2.506 -0.623 1.00 65.24 C ATOM 14 CD1 LEU A 2 7.227 -2.832 -0.199 1.00 3.32 C ATOM 15 CD2 LEU A 2 5.780 -1.465 -1.771 1.00 52.30 C ATOM 16 H LEU A 2 2.915 -2.491 0.298 1.00 74.10 H ATOM 17 HA LEU A 2 3.380 -3.599 -2.453 1.00 65.14 H ATOM 18 HB2 LEU A 2 5.088 -4.467 -0.115 1.00 32.31 H ATOM 19 HB3 LEU A 2 5.535 -4.313 -1.833 1.00 60.15 H ATOM 20 HG LEU A 2 5.276 -2.046 0.249 1.00 72.15 H ATOM 21 HD11 LEU A 2 7.239 -3.552 0.633 1.00 71.45 H ATOM 22 HD12 LEU A 2 7.742 -1.918 0.134 1.00 13.44 H ATOM 23 HD13 LEU A 2 7.790 -3.264 -1.041 1.00 1.33 H ATOM 24 HD21 LEU A 2 6.292 -1.877 -2.654 1.00 24.14 H ATOM 25 HD22 LEU A 2 6.309 -0.556 -1.443 1.00 13.21 H ATOM 26 HD23 LEU A 2 4.759 -1.181 -2.055 1.00 23.41 H ATOM 27 N PRO A 3 2.598 -6.061 -1.400 1.00 71.31 N ATOM 28 CA PRO A 3 1.903 -7.144 -0.698 1.00 21.53 C ATOM 29 C PRO A 3 2.771 -7.785 0.368 1.00 12.24 C ATOM 30 O PRO A 3 3.023 -8.976 0.284 1.00 54.10 O ATOM 31 CB PRO A 3 1.561 -8.037 -1.917 1.00 54.41 C ATOM 32 CG PRO A 3 2.769 -7.832 -2.857 1.00 74.23 C ATOM 33 CD PRO A 3 3.072 -6.317 -2.750 1.00 50.44 C ATOM 34 HA PRO A 3 0.969 -6.839 -0.199 1.00 41.04 H ATOM 35 HB2 PRO A 3 1.379 -9.091 -1.654 1.00 35.15 H ATOM 36 HB3 PRO A 3 0.664 -7.639 -2.422 1.00 75.54 H ATOM 37 HG2 PRO A 3 3.612 -8.403 -2.446 1.00 22.22 H ATOM 38 HG3 PRO A 3 2.580 -8.167 -3.890 1.00 73.50 H ATOM 39 HD2 PRO A 3 4.142 -6.100 -2.893 1.00 3.11 H ATOM 40 HD3 PRO A 3 2.463 -5.748 -3.472 1.00 72.24 H ATOM 41 N TRP A 4 3.210 -7.007 1.391 1.00 72.34 N ATOM 42 CA TRP A 4 4.010 -7.552 2.495 1.00 35.12 C ATOM 43 C TRP A 4 4.399 -6.412 3.428 1.00 21.42 C ATOM 44 O TRP A 4 5.525 -5.947 3.360 1.00 24.11 O ATOM 45 CB TRP A 4 5.242 -8.384 2.014 1.00 4.33 C ATOM 46 CG TRP A 4 5.839 -7.918 0.707 1.00 60.13 C ATOM 47 CD1 TRP A 4 6.482 -6.764 0.467 1.00 72.54 C ATOM 48 CD2 TRP A 4 5.832 -8.688 -0.595 1.00 23.42 C ATOM 49 NE1 TRP A 4 6.833 -6.708 -0.792 1.00 30.00 N ATOM 50 CE2 TRP A 4 6.449 -7.809 -1.465 1.00 62.13 C ATOM 51 CE3 TRP A 4 5.393 -9.944 -1.011 1.00 63.24 C ATOM 52 CZ2 TRP A 4 6.607 -8.104 -2.821 1.00 45.31 C ATOM 53 CZ3 TRP A 4 5.557 -10.264 -2.367 1.00 32.34 C ATOM 54 CH2 TRP A 4 6.145 -9.352 -3.260 1.00 12.55 C ATOM 55 H TRP A 4 2.944 -6.044 1.442 1.00 11.12 H ATOM 56 HA TRP A 4 3.367 -8.226 3.087 1.00 4.20 H ATOM 57 HB2 TRP A 4 6.030 -8.388 2.784 1.00 1.43 H ATOM 58 HB3 TRP A 4 4.944 -9.435 1.871 1.00 42.44 H ATOM 59 HD1 TRP A 4 6.689 -5.984 1.197 1.00 62.23 H ATOM 60 HE1 TRP A 4 7.348 -5.921 -1.215 1.00 24.00 H ATOM 61 HE3 TRP A 4 4.942 -10.650 -0.322 1.00 53.43 H ATOM 62 HZ2 TRP A 4 7.066 -7.396 -3.502 1.00 13.22 H ATOM 63 HZ3 TRP A 4 5.222 -11.229 -2.733 1.00 20.25 H ATOM 64 HH2 TRP A 4 6.242 -9.618 -4.308 1.00 72.32 H ATOM 65 N GLY A 5 3.487 -5.929 4.312 1.00 5.33 N ATOM 66 CA GLY A 5 3.836 -4.785 5.159 1.00 24.52 C ATOM 67 C GLY A 5 2.755 -4.387 6.150 1.00 21.14 C ATOM 68 O GLY A 5 2.367 -5.234 6.939 1.00 51.33 O ATOM 69 H GLY A 5 2.570 -6.327 4.388 1.00 25.23 H ATOM 70 HA2 GLY A 5 4.728 -5.034 5.753 1.00 52.11 H ATOM 71 HA3 GLY A 5 4.098 -3.945 4.497 1.00 23.35 H ATOM 72 N CYS A 6 2.270 -3.118 6.136 1.00 34.34 N ATOM 73 CA CYS A 6 1.316 -2.620 7.132 1.00 43.21 C ATOM 74 C CYS A 6 0.286 -1.715 6.479 1.00 51.42 C ATOM 75 O CYS A 6 0.611 -1.205 5.420 1.00 31.12 O ATOM 76 CB CYS A 6 2.105 -1.701 8.098 1.00 44.33 C ATOM 77 SG CYS A 6 3.489 -2.555 8.898 1.00 73.12 S ATOM 78 H CYS A 6 2.599 -2.453 5.473 1.00 71.11 H ATOM 79 HA CYS A 6 0.834 -3.445 7.677 1.00 32.53 H ATOM 80 HB2 CYS A 6 2.513 -0.848 7.538 1.00 63.40 H ATOM 81 HB3 CYS A 6 1.463 -1.309 8.897 1.00 5.44 H ATOM 82 N PRO A 7 -0.927 -1.449 7.034 1.00 55.22 N ATOM 83 CA PRO A 7 -1.845 -0.525 6.374 1.00 22.41 C ATOM 84 C PRO A 7 -1.367 0.911 6.468 1.00 25.44 C ATOM 85 O PRO A 7 -1.362 1.446 7.565 1.00 24.10 O ATOM 86 CB PRO A 7 -3.123 -0.763 7.224 1.00 22.53 C ATOM 87 CG PRO A 7 -2.590 -1.183 8.613 1.00 22.52 C ATOM 88 CD PRO A 7 -1.390 -2.090 8.262 1.00 63.33 C ATOM 89 HA PRO A 7 -2.037 -0.813 5.327 1.00 35.12 H ATOM 90 HB2 PRO A 7 -3.789 0.114 7.264 1.00 11.41 H ATOM 91 HB3 PRO A 7 -3.689 -1.616 6.811 1.00 74.45 H ATOM 92 HG2 PRO A 7 -2.235 -0.295 9.159 1.00 12.55 H ATOM 93 HG3 PRO A 7 -3.347 -1.695 9.230 1.00 53.11 H ATOM 94 HD2 PRO A 7 -0.677 -2.112 9.096 1.00 62.25 H ATOM 95 HD3 PRO A 7 -1.736 -3.111 8.042 1.00 11.30 H ATOM 96 N SER A 8 -0.979 1.565 5.344 1.00 44.15 N ATOM 97 CA SER A 8 -0.573 2.973 5.403 1.00 64.45 C ATOM 98 C SER A 8 -0.486 3.604 4.022 1.00 11.25 C ATOM 99 O SER A 8 -1.158 4.596 3.783 1.00 22.23 O ATOM 100 CB SER A 8 0.776 3.116 6.156 1.00 75.44 C ATOM 101 OG SER A 8 1.714 2.159 5.637 1.00 50.11 O ATOM 102 H SER A 8 -0.974 1.100 4.457 1.00 31.12 H ATOM 103 HA SER A 8 -1.341 3.534 5.964 1.00 35.00 H ATOM 104 HB2 SER A 8 1.161 4.143 6.041 1.00 61.13 H ATOM 105 HB3 SER A 8 0.630 2.924 7.233 1.00 12.43 H ATOM 106 HG SER A 8 2.536 2.177 6.117 1.00 74.00 H ATOM 107 N ASP A 9 0.329 3.051 3.091 1.00 60.14 N ATOM 108 CA ASP A 9 0.394 3.594 1.725 1.00 31.41 C ATOM 109 C ASP A 9 -0.950 3.423 1.042 1.00 52.12 C ATOM 110 O ASP A 9 -1.878 2.962 1.689 1.00 1.12 O ATOM 111 CB ASP A 9 1.488 2.866 0.877 1.00 53.43 C ATOM 112 CG ASP A 9 1.101 1.422 0.627 1.00 52.25 C ATOM 113 OD1 ASP A 9 0.188 0.949 1.286 1.00 25.31 O ATOM 114 H ASP A 9 0.874 2.247 3.328 1.00 75.22 H ATOM 115 HA ASP A 9 0.641 4.667 1.773 1.00 64.14 H ATOM 116 HB2 ASP A 9 1.647 3.356 -0.094 1.00 14.44 H ATOM 117 HB3 ASP A 9 2.446 2.943 1.408 1.00 61.23 H ATOM 118 N ILE A 10 -1.055 3.763 -0.266 1.00 12.42 N ATOM 119 CA ILE A 10 -2.236 3.443 -1.073 1.00 52.44 C ATOM 120 C ILE A 10 -2.969 2.193 -0.606 1.00 71.51 C ATOM 121 O ILE A 10 -2.311 1.278 -0.135 1.00 71.50 O ATOM 122 CB ILE A 10 -1.843 3.215 -2.573 1.00 4.45 C ATOM 123 CG1 ILE A 10 -0.594 2.287 -2.694 1.00 54.12 C ATOM 124 CG2 ILE A 10 -1.630 4.561 -3.326 1.00 45.12 C ATOM 125 CD1 ILE A 10 -0.535 1.499 -4.030 1.00 61.21 C ATOM 126 H ILE A 10 -0.328 4.286 -0.705 1.00 1.51 H ATOM 127 HA ILE A 10 -2.902 4.313 -0.982 1.00 54.24 H ATOM 128 HB ILE A 10 -2.687 2.717 -3.077 1.00 13.13 H ATOM 129 HG12 ILE A 10 0.334 2.871 -2.581 1.00 30.22 H ATOM 130 HG13 ILE A 10 -0.612 1.541 -1.888 1.00 52.24 H ATOM 131 HG21 ILE A 10 -1.405 4.380 -4.388 1.00 71.22 H ATOM 132 HG22 ILE A 10 -2.543 5.176 -3.274 1.00 22.14 H ATOM 133 HG23 ILE A 10 -0.799 5.138 -2.894 1.00 51.31 H ATOM 134 HD11 ILE A 10 -1.416 0.846 -4.134 1.00 73.14 H ATOM 135 HD12 ILE A 10 -0.494 2.179 -4.895 1.00 3.22 H ATOM 136 HD13 ILE A 10 0.367 0.865 -4.044 1.00 43.44 H ATOM 137 N PRO A 11 -4.319 2.070 -0.714 1.00 3.13 N ATOM 138 CA PRO A 11 -4.986 0.880 -0.192 1.00 1.12 C ATOM 139 C PRO A 11 -4.790 -0.364 -1.035 1.00 61.44 C ATOM 140 O PRO A 11 -5.333 -1.390 -0.655 1.00 11.03 O ATOM 141 CB PRO A 11 -6.457 1.366 -0.242 1.00 44.43 C ATOM 142 CG PRO A 11 -6.479 2.311 -1.463 1.00 64.43 C ATOM 143 CD PRO A 11 -5.160 3.102 -1.308 1.00 4.34 C ATOM 144 HA PRO A 11 -4.684 0.664 0.845 1.00 32.01 H ATOM 145 HB2 PRO A 11 -7.189 0.547 -0.321 1.00 51.34 H ATOM 146 HB3 PRO A 11 -6.683 1.959 0.660 1.00 44.42 H ATOM 147 HG2 PRO A 11 -6.445 1.703 -2.383 1.00 71.55 H ATOM 148 HG3 PRO A 11 -7.369 2.961 -1.492 1.00 44.12 H ATOM 149 HD2 PRO A 11 -4.818 3.487 -2.282 1.00 1.22 H ATOM 150 HD3 PRO A 11 -5.296 3.935 -0.598 1.00 45.34 H ATOM 151 N GLY A 12 -4.043 -0.331 -2.164 1.00 65.35 N ATOM 152 CA GLY A 12 -3.866 -1.547 -2.955 1.00 52.32 C ATOM 153 C GLY A 12 -3.301 -2.681 -2.133 1.00 22.13 C ATOM 154 O GLY A 12 -3.747 -3.804 -2.310 1.00 53.02 O ATOM 155 H GLY A 12 -3.613 0.507 -2.498 1.00 32.03 H ATOM 156 HA2 GLY A 12 -4.841 -1.838 -3.376 1.00 15.44 H ATOM 157 HA3 GLY A 12 -3.170 -1.375 -3.793 1.00 2.34 H ATOM 158 N TRP A 13 -2.311 -2.409 -1.249 1.00 20.10 N ATOM 159 CA TRP A 13 -1.664 -3.486 -0.499 1.00 40.00 C ATOM 160 C TRP A 13 -1.224 -2.988 0.871 1.00 21.34 C ATOM 161 O TRP A 13 -2.060 -2.374 1.515 1.00 3.35 O ATOM 162 CB TRP A 13 -0.531 -4.049 -1.397 1.00 12.32 C ATOM 163 CG TRP A 13 -0.965 -4.569 -2.739 1.00 3.41 C ATOM 164 CD1 TRP A 13 -0.753 -4.014 -3.943 1.00 71.22 C ATOM 165 CD2 TRP A 13 -1.710 -5.859 -2.973 1.00 42.12 C ATOM 166 NE1 TRP A 13 -1.254 -4.788 -4.873 1.00 65.25 N ATOM 167 CE2 TRP A 13 -1.820 -5.894 -4.349 1.00 62.41 C ATOM 168 CE3 TRP A 13 -2.220 -6.867 -2.157 1.00 62.10 C ATOM 169 CZ2 TRP A 13 -2.437 -6.959 -5.005 1.00 12.31 C ATOM 170 CZ3 TRP A 13 -2.850 -7.940 -2.801 1.00 41.13 C ATOM 171 CH2 TRP A 13 -2.952 -7.988 -4.203 1.00 3.04 C ATOM 172 H TRP A 13 -1.963 -1.478 -1.134 1.00 12.53 H ATOM 173 HA TRP A 13 -2.383 -4.296 -0.296 1.00 0.22 H ATOM 174 HB2 TRP A 13 0.231 -3.275 -1.552 1.00 2.22 H ATOM 175 HB3 TRP A 13 -0.073 -4.918 -0.916 1.00 3.25 H ATOM 176 HD1 TRP A 13 -0.238 -3.068 -4.116 1.00 1.33 H ATOM 177 HE1 TRP A 13 -1.212 -4.583 -5.882 1.00 53.31 H ATOM 178 HE3 TRP A 13 -2.129 -6.820 -1.076 1.00 21.32 H ATOM 179 HZ2 TRP A 13 -2.511 -6.989 -6.087 1.00 14.43 H ATOM 180 HZ3 TRP A 13 -3.266 -8.747 -2.208 1.00 21.41 H ATOM 181 HH2 TRP A 13 -3.438 -8.836 -4.673 1.00 13.42 H ATOM 182 N ASN A 14 0.026 -3.224 1.356 1.00 72.33 N ATOM 183 CA ASN A 14 0.416 -2.854 2.722 1.00 44.41 C ATOM 184 C ASN A 14 1.881 -2.441 2.710 1.00 12.33 C ATOM 185 O ASN A 14 2.664 -3.216 2.186 1.00 12.22 O ATOM 186 CB ASN A 14 0.241 -4.128 3.604 1.00 32.41 C ATOM 187 CG ASN A 14 -0.795 -4.062 4.701 1.00 11.51 C ATOM 188 OD1 ASN A 14 -1.691 -3.236 4.647 1.00 51.13 O ATOM 189 ND2 ASN A 14 -0.697 -4.950 5.715 1.00 64.21 N ATOM 190 H ASN A 14 0.715 -3.725 0.838 1.00 0.11 H ATOM 191 HA ASN A 14 -0.192 -2.015 3.092 1.00 65.35 H ATOM 192 HB2 ASN A 14 -0.031 -4.987 2.969 1.00 52.13 H ATOM 193 HB3 ASN A 14 1.204 -4.375 4.064 1.00 74.33 H ATOM 194 HD21 ASN A 14 0.036 -5.630 5.747 1.00 35.13 H ATOM 195 HD22 ASN A 14 -1.375 -4.945 6.450 1.00 73.43 H ATOM 196 N THR A 15 2.306 -1.273 3.250 1.00 23.21 N ATOM 197 CA THR A 15 3.705 -0.838 3.102 1.00 62.42 C ATOM 198 C THR A 15 4.460 -1.073 4.395 1.00 34.10 C ATOM 199 O THR A 15 3.876 -0.747 5.415 1.00 42.55 O ATOM 200 CB THR A 15 3.753 0.642 2.607 1.00 50.24 C ATOM 201 OG1 THR A 15 4.183 0.752 1.236 1.00 22.23 O ATOM 202 CG2 THR A 15 4.561 1.619 3.495 1.00 13.33 C ATOM 203 H THR A 15 1.674 -0.694 3.769 1.00 71.21 H ATOM 204 HA THR A 15 4.175 -1.422 2.304 1.00 41.42 H ATOM 205 HB THR A 15 2.726 1.007 2.621 1.00 72.15 H ATOM 206 HG1 THR A 15 5.096 0.507 1.122 1.00 35.23 H ATOM 207 HG21 THR A 15 4.467 2.646 3.113 1.00 52.33 H ATOM 208 HG22 THR A 15 5.618 1.345 3.481 1.00 11.42 H ATOM 209 HG23 THR A 15 4.200 1.598 4.528 1.00 10.54 H ATOM 210 N PRO A 16 5.705 -1.622 4.454 1.00 22.51 N ATOM 211 CA PRO A 16 6.341 -1.851 5.747 1.00 40.41 C ATOM 212 C PRO A 16 6.945 -0.592 6.334 1.00 70.10 C ATOM 213 O PRO A 16 7.039 -0.519 7.549 1.00 2.00 O ATOM 214 CB PRO A 16 7.435 -2.866 5.325 1.00 4.11 C ATOM 215 CG PRO A 16 7.795 -2.480 3.872 1.00 31.34 C ATOM 216 CD PRO A 16 6.432 -2.061 3.267 1.00 35.30 C ATOM 217 HA PRO A 16 5.650 -2.318 6.470 1.00 44.34 H ATOM 218 HB2 PRO A 16 8.307 -2.869 5.998 1.00 44.23 H ATOM 219 HB3 PRO A 16 7.002 -3.880 5.306 1.00 70.22 H ATOM 220 HG2 PRO A 16 8.501 -1.634 3.887 1.00 42.33 H ATOM 221 HG3 PRO A 16 8.265 -3.308 3.317 1.00 20.41 H ATOM 222 HD2 PRO A 16 6.559 -1.270 2.510 1.00 4.15 H ATOM 223 HD3 PRO A 16 5.937 -2.943 2.827 1.00 4.31 H ATOM 224 N TRP A 17 7.380 0.390 5.510 1.00 34.02 N ATOM 225 CA TRP A 17 8.085 1.564 6.030 1.00 71.03 C ATOM 226 C TRP A 17 7.379 2.148 7.237 1.00 44.25 C ATOM 227 O TRP A 17 7.975 2.166 8.303 1.00 22.55 O ATOM 228 CB TRP A 17 8.312 2.670 4.956 1.00 1.23 C ATOM 229 CG TRP A 17 8.843 2.104 3.662 1.00 54.41 C ATOM 230 CD1 TRP A 17 8.244 2.135 2.460 1.00 40.42 C ATOM 231 CD2 TRP A 17 10.153 1.379 3.476 1.00 21.34 C ATOM 232 NE1 TRP A 17 8.983 1.508 1.583 1.00 61.23 N ATOM 233 CE2 TRP A 17 10.116 1.033 2.138 1.00 31.32 C ATOM 234 CE3 TRP A 17 11.235 1.053 4.292 1.00 24.34 C ATOM 235 CZ2 TRP A 17 11.140 0.305 1.537 1.00 13.40 C ATOM 236 CZ3 TRP A 17 12.275 0.321 3.703 1.00 32.54 C ATOM 237 CH2 TRP A 17 12.228 -0.050 2.349 1.00 2.41 C ATOM 238 H TRP A 17 7.306 0.287 4.525 1.00 12.33 H ATOM 239 HA TRP A 17 9.078 1.206 6.343 1.00 15.54 H ATOM 240 HB2 TRP A 17 7.363 3.184 4.739 1.00 70.41 H ATOM 241 HB3 TRP A 17 9.023 3.420 5.337 1.00 21.34 H ATOM 242 HD1 TRP A 17 7.284 2.603 2.237 1.00 33.12 H ATOM 243 HE1 TRP A 17 8.731 1.389 0.590 1.00 23.13 H ATOM 244 HE3 TRP A 17 11.276 1.356 5.331 1.00 62.33 H ATOM 245 HZ2 TRP A 17 11.096 0.026 0.490 1.00 3.43 H ATOM 246 HZ3 TRP A 17 13.132 0.037 4.305 1.00 72.22 H ATOM 247 HH2 TRP A 17 13.046 -0.621 1.922 1.00 20.35 H ATOM 248 N ALA A 18 6.115 2.615 7.094 1.00 50.22 N ATOM 249 CA ALA A 18 5.365 3.141 8.235 1.00 42.14 C ATOM 250 C ALA A 18 4.360 2.096 8.653 1.00 60.05 C ATOM 251 O ALA A 18 3.925 1.346 7.794 1.00 53.15 O ATOM 252 CB ALA A 18 4.618 4.447 7.862 1.00 60.03 C ATOM 253 H ALA A 18 5.638 2.563 6.218 1.00 12.00 H ATOM 254 HA ALA A 18 6.034 3.382 9.078 1.00 75.45 H ATOM 255 HB1 ALA A 18 4.056 4.830 8.729 1.00 11.32 H ATOM 256 HB2 ALA A 18 5.341 5.213 7.541 1.00 71.13 H ATOM 257 HB3 ALA A 18 3.912 4.261 7.038 1.00 42.10 H ATOM 258 N CYS A 19 3.981 2.034 9.953 1.00 52.41 N ATOM 259 CA CYS A 19 3.034 1.018 10.410 1.00 43.31 C ATOM 260 C CYS A 19 2.218 1.543 11.555 1.00 0.00 C ATOM 261 O CYS A 19 2.335 2.716 11.907 1.00 0.00 O ATOM 262 CB CYS A 19 3.791 -0.257 10.866 1.00 32.00 C ATOM 263 SG CYS A 19 4.684 -1.011 9.464 1.00 72.24 S ATOM 264 OXT CYS A 19 1.365 0.738 12.191 1.00 0.00 O ATOM 265 H CYS A 19 4.364 2.658 10.637 1.00 62.40 H ATOM 266 HA CYS A 19 2.309 0.785 9.617 1.00 34.21 H ATOM 267 HB2 CYS A 19 4.529 0.020 11.633 1.00 25.34 H ATOM 268 HB3 CYS A 19 3.096 -0.996 11.295 1.00 2.22 H ATOM 269 HXT CYS A 19 0.931 1.232 12.890 1.00 0.00 H TER 270 CYS A 19 ENDMDL MODEL 9 ATOM 1 N GLY A 1 1.772 0.677 -0.353 1.00 11.22 N ATOM 2 CA GLY A 1 1.265 -0.652 -0.678 1.00 35.45 C ATOM 3 C GLY A 1 2.190 -1.580 -1.433 1.00 10.24 C ATOM 4 O GLY A 1 2.238 -1.489 -2.650 1.00 22.11 O ATOM 5 H1 GLY A 1 2.559 1.038 -0.861 1.00 54.33 H ATOM 6 HA2 GLY A 1 0.944 -1.163 0.242 1.00 20.14 H ATOM 7 HA3 GLY A 1 0.366 -0.534 -1.302 1.00 0.45 H ATOM 8 N LEU A 2 2.885 -2.506 -0.727 1.00 31.44 N ATOM 9 CA LEU A 2 3.497 -3.676 -1.364 1.00 20.43 C ATOM 10 C LEU A 2 2.732 -4.865 -0.799 1.00 43.44 C ATOM 11 O LEU A 2 2.228 -4.693 0.297 1.00 31.10 O ATOM 12 CB LEU A 2 5.010 -3.834 -1.009 1.00 22.34 C ATOM 13 CG LEU A 2 5.759 -2.531 -0.594 1.00 22.33 C ATOM 14 CD1 LEU A 2 7.217 -2.864 -0.165 1.00 43.21 C ATOM 15 CD2 LEU A 2 5.784 -1.461 -1.714 1.00 22.33 C ATOM 16 H LEU A 2 2.891 -2.488 0.272 1.00 1.11 H ATOM 17 HA LEU A 2 3.376 -3.635 -2.457 1.00 61.12 H ATOM 18 HB2 LEU A 2 5.089 -4.511 -0.145 1.00 61.20 H ATOM 19 HB3 LEU A 2 5.541 -4.303 -1.854 1.00 30.21 H ATOM 20 HG LEU A 2 5.258 -2.093 0.283 1.00 61.20 H ATOM 21 HD11 LEU A 2 7.221 -3.597 0.654 1.00 63.43 H ATOM 22 HD12 LEU A 2 7.730 -1.956 0.188 1.00 3.45 H ATOM 23 HD13 LEU A 2 7.786 -3.281 -1.009 1.00 15.13 H ATOM 24 HD21 LEU A 2 4.768 -1.173 -2.009 1.00 23.52 H ATOM 25 HD22 LEU A 2 6.313 -1.846 -2.599 1.00 44.32 H ATOM 26 HD23 LEU A 2 6.302 -0.557 -1.355 1.00 31.34 H ATOM 27 N PRO A 3 2.581 -6.075 -1.390 1.00 71.05 N ATOM 28 CA PRO A 3 1.882 -7.150 -0.683 1.00 44.04 C ATOM 29 C PRO A 3 2.752 -7.797 0.379 1.00 65.44 C ATOM 30 O PRO A 3 2.998 -8.989 0.294 1.00 61.15 O ATOM 31 CB PRO A 3 1.527 -8.043 -1.898 1.00 24.12 C ATOM 32 CG PRO A 3 2.732 -7.849 -2.845 1.00 73.44 C ATOM 33 CD PRO A 3 3.047 -6.337 -2.742 1.00 22.01 C ATOM 34 HA PRO A 3 0.954 -6.838 -0.179 1.00 3.45 H ATOM 35 HB2 PRO A 3 1.337 -9.096 -1.633 1.00 50.45 H ATOM 36 HB3 PRO A 3 0.630 -7.640 -2.399 1.00 42.14 H ATOM 37 HG2 PRO A 3 3.574 -8.424 -2.436 1.00 44.52 H ATOM 38 HG3 PRO A 3 2.536 -8.186 -3.875 1.00 23.03 H ATOM 39 HD2 PRO A 3 4.117 -6.126 -2.889 1.00 23.14 H ATOM 40 HD3 PRO A 3 2.438 -5.766 -3.462 1.00 13.31 H ATOM 41 N TRP A 4 3.200 -7.023 1.400 1.00 34.22 N ATOM 42 CA TRP A 4 3.998 -7.572 2.501 1.00 21.14 C ATOM 43 C TRP A 4 4.389 -6.434 3.434 1.00 1.03 C ATOM 44 O TRP A 4 5.517 -5.972 3.371 1.00 63.12 O ATOM 45 CB TRP A 4 5.229 -8.407 2.017 1.00 14.22 C ATOM 46 CG TRP A 4 5.822 -7.940 0.710 1.00 42.42 C ATOM 47 CD1 TRP A 4 6.470 -6.787 0.472 1.00 2.50 C ATOM 48 CD2 TRP A 4 5.809 -8.705 -0.595 1.00 60.21 C ATOM 49 NE1 TRP A 4 6.816 -6.728 -0.788 1.00 25.10 N ATOM 50 CE2 TRP A 4 6.425 -7.826 -1.465 1.00 32.12 C ATOM 51 CE3 TRP A 4 5.363 -9.958 -1.014 1.00 61.40 C ATOM 52 CZ2 TRP A 4 6.576 -8.117 -2.821 1.00 63.24 C ATOM 53 CZ3 TRP A 4 5.522 -10.273 -2.372 1.00 72.10 C ATOM 54 CH2 TRP A 4 6.109 -9.361 -3.262 1.00 53.53 C ATOM 55 H TRP A 4 2.940 -6.057 1.450 1.00 61.13 H ATOM 56 HA TRP A 4 3.355 -8.245 3.093 1.00 10.02 H ATOM 57 HB2 TRP A 4 6.017 -8.412 2.786 1.00 41.15 H ATOM 58 HB3 TRP A 4 4.928 -9.456 1.873 1.00 61.23 H ATOM 59 HD1 TRP A 4 6.682 -6.012 1.205 1.00 12.12 H ATOM 60 HE1 TRP A 4 7.332 -5.942 -1.210 1.00 62.51 H ATOM 61 HE3 TRP A 4 4.913 -10.665 -0.325 1.00 32.11 H ATOM 62 HZ2 TRP A 4 7.035 -7.407 -3.502 1.00 63.12 H ATOM 63 HZ3 TRP A 4 5.182 -11.237 -2.739 1.00 12.53 H ATOM 64 HH2 TRP A 4 6.200 -9.624 -4.313 1.00 23.53 H ATOM 65 N GLY A 5 3.474 -5.945 4.311 1.00 62.03 N ATOM 66 CA GLY A 5 3.816 -4.795 5.151 1.00 23.05 C ATOM 67 C GLY A 5 2.736 -4.404 6.146 1.00 0.25 C ATOM 68 O GLY A 5 2.341 -5.259 6.921 1.00 12.41 O ATOM 69 H GLY A 5 2.556 -6.341 4.382 1.00 3.21 H ATOM 70 HA2 GLY A 5 4.714 -5.030 5.743 1.00 3.52 H ATOM 71 HA3 GLY A 5 4.067 -3.958 4.481 1.00 55.21 H ATOM 72 N CYS A 6 2.263 -3.131 6.149 1.00 11.30 N ATOM 73 CA CYS A 6 1.318 -2.635 7.153 1.00 30.44 C ATOM 74 C CYS A 6 0.297 -1.715 6.509 1.00 54.53 C ATOM 75 O CYS A 6 0.623 -1.208 5.448 1.00 3.13 O ATOM 76 CB CYS A 6 2.120 -1.734 8.126 1.00 42.24 C ATOM 77 SG CYS A 6 3.513 -2.606 8.893 1.00 62.13 S ATOM 78 H CYS A 6 2.598 -2.460 5.493 1.00 35.13 H ATOM 79 HA CYS A 6 0.828 -3.461 7.691 1.00 32.23 H ATOM 80 HB2 CYS A 6 2.525 -0.874 7.573 1.00 72.12 H ATOM 81 HB3 CYS A 6 1.491 -1.351 8.939 1.00 60.41 H ATOM 82 N PRO A 7 -0.910 -1.434 7.071 1.00 30.21 N ATOM 83 CA PRO A 7 -1.820 -0.498 6.415 1.00 45.31 C ATOM 84 C PRO A 7 -1.326 0.934 6.494 1.00 52.14 C ATOM 85 O PRO A 7 -1.398 1.510 7.568 1.00 12.20 O ATOM 86 CB PRO A 7 -3.094 -0.719 7.275 1.00 53.10 C ATOM 87 CG PRO A 7 -2.556 -1.144 8.661 1.00 4.32 C ATOM 88 CD PRO A 7 -1.376 -2.073 8.298 1.00 71.21 C ATOM 89 HA PRO A 7 -2.027 -0.781 5.371 1.00 13.44 H ATOM 90 HB2 PRO A 7 -3.749 0.166 7.320 1.00 15.01 H ATOM 91 HB3 PRO A 7 -3.673 -1.565 6.868 1.00 25.22 H ATOM 92 HG2 PRO A 7 -2.178 -0.260 9.199 1.00 51.04 H ATOM 93 HG3 PRO A 7 -3.314 -1.639 9.290 1.00 72.51 H ATOM 94 HD2 PRO A 7 -0.657 -2.114 9.127 1.00 4.13 H ATOM 95 HD3 PRO A 7 -1.742 -3.086 8.074 1.00 30.13 H ATOM 96 N SER A 8 -0.850 1.543 5.377 1.00 65.13 N ATOM 97 CA SER A 8 -0.479 2.964 5.402 1.00 2.01 C ATOM 98 C SER A 8 -0.393 3.598 4.020 1.00 5.04 C ATOM 99 O SER A 8 -0.980 4.652 3.828 1.00 13.33 O ATOM 100 CB SER A 8 0.823 3.216 6.215 1.00 42.20 C ATOM 101 OG SER A 8 2.001 2.747 5.544 1.00 10.22 O ATOM 102 H SER A 8 -0.786 1.034 4.517 1.00 44.44 H ATOM 103 HA SER A 8 -1.291 3.491 5.933 1.00 55.34 H ATOM 104 HB2 SER A 8 0.937 4.292 6.434 1.00 73.24 H ATOM 105 HB3 SER A 8 0.774 2.686 7.177 1.00 3.41 H ATOM 106 HG SER A 8 2.211 3.269 4.776 1.00 12.11 H ATOM 107 N ASP A 9 0.321 2.997 3.035 1.00 31.51 N ATOM 108 CA ASP A 9 0.400 3.581 1.688 1.00 21.41 C ATOM 109 C ASP A 9 -0.951 3.444 1.012 1.00 15.43 C ATOM 110 O ASP A 9 -1.890 3.027 1.672 1.00 12.51 O ATOM 111 CB ASP A 9 1.491 2.853 0.839 1.00 34.23 C ATOM 112 CG ASP A 9 1.096 1.416 0.563 1.00 44.34 C ATOM 113 OD1 ASP A 9 0.154 0.952 1.186 1.00 35.10 O ATOM 114 H ASP A 9 0.780 2.126 3.206 1.00 1.00 H ATOM 115 HA ASP A 9 0.663 4.648 1.764 1.00 23.55 H ATOM 116 HB2 ASP A 9 1.662 3.355 -0.124 1.00 1.52 H ATOM 117 HB3 ASP A 9 2.446 2.911 1.378 1.00 72.02 H ATOM 118 N ILE A 10 -1.049 3.766 -0.301 1.00 42.54 N ATOM 119 CA ILE A 10 -2.238 3.456 -1.099 1.00 73.35 C ATOM 120 C ILE A 10 -2.977 2.215 -0.618 1.00 42.31 C ATOM 121 O ILE A 10 -2.321 1.305 -0.136 1.00 72.54 O ATOM 122 CB ILE A 10 -1.856 3.217 -2.599 1.00 5.15 C ATOM 123 CG1 ILE A 10 -0.622 2.268 -2.723 1.00 42.10 C ATOM 124 CG2 ILE A 10 -1.625 4.555 -3.360 1.00 41.53 C ATOM 125 CD1 ILE A 10 -0.574 1.476 -4.057 1.00 61.13 C ATOM 126 H ILE A 10 -0.311 4.262 -0.751 1.00 34.33 H ATOM 127 HA ILE A 10 -2.896 4.333 -1.009 1.00 12.41 H ATOM 128 HB ILE A 10 -2.709 2.729 -3.099 1.00 14.33 H ATOM 129 HG12 ILE A 10 0.314 2.839 -2.613 1.00 61.23 H ATOM 130 HG13 ILE A 10 -0.649 1.524 -1.917 1.00 24.21 H ATOM 131 HG21 ILE A 10 -0.783 5.122 -2.935 1.00 12.44 H ATOM 132 HG22 ILE A 10 -1.408 4.367 -4.422 1.00 61.45 H ATOM 133 HG23 ILE A 10 -2.527 5.185 -3.306 1.00 52.41 H ATOM 134 HD11 ILE A 10 -1.466 0.837 -4.156 1.00 13.54 H ATOM 135 HD12 ILE A 10 -0.525 2.152 -4.922 1.00 61.43 H ATOM 136 HD13 ILE A 10 0.315 0.825 -4.073 1.00 73.02 H ATOM 137 N PRO A 11 -4.327 2.093 -0.727 1.00 53.35 N ATOM 138 CA PRO A 11 -4.994 0.906 -0.200 1.00 41.04 C ATOM 139 C PRO A 11 -4.805 -0.339 -1.041 1.00 10.31 C ATOM 140 O PRO A 11 -5.369 -1.357 -0.669 1.00 2.42 O ATOM 141 CB PRO A 11 -6.463 1.398 -0.244 1.00 35.33 C ATOM 142 CG PRO A 11 -6.488 2.338 -1.469 1.00 44.41 C ATOM 143 CD PRO A 11 -5.166 3.126 -1.324 1.00 24.52 C ATOM 144 HA PRO A 11 -4.689 0.691 0.837 1.00 23.33 H ATOM 145 HB2 PRO A 11 -7.201 0.583 -0.314 1.00 24.21 H ATOM 146 HB3 PRO A 11 -6.681 1.996 0.657 1.00 42.44 H ATOM 147 HG2 PRO A 11 -6.459 1.727 -2.387 1.00 42.40 H ATOM 148 HG3 PRO A 11 -7.375 2.991 -1.498 1.00 41.14 H ATOM 149 HD2 PRO A 11 -4.825 3.504 -2.300 1.00 34.44 H ATOM 150 HD3 PRO A 11 -5.294 3.962 -0.617 1.00 34.42 H ATOM 151 N GLY A 12 -4.041 -0.319 -2.159 1.00 5.53 N ATOM 152 CA GLY A 12 -3.872 -1.537 -2.947 1.00 32.25 C ATOM 153 C GLY A 12 -3.307 -2.670 -2.124 1.00 44.45 C ATOM 154 O GLY A 12 -3.760 -3.792 -2.295 1.00 4.11 O ATOM 155 H GLY A 12 -3.592 0.511 -2.485 1.00 5.22 H ATOM 156 HA2 GLY A 12 -4.850 -1.826 -3.365 1.00 73.20 H ATOM 157 HA3 GLY A 12 -3.180 -1.369 -3.789 1.00 41.45 H ATOM 158 N TRP A 13 -2.312 -2.399 -1.245 1.00 72.24 N ATOM 159 CA TRP A 13 -1.669 -3.476 -0.493 1.00 64.10 C ATOM 160 C TRP A 13 -1.232 -2.978 0.878 1.00 75.42 C ATOM 161 O TRP A 13 -2.074 -2.378 1.528 1.00 61.11 O ATOM 162 CB TRP A 13 -0.537 -4.046 -1.387 1.00 64.51 C ATOM 163 CG TRP A 13 -0.966 -4.569 -2.728 1.00 32.21 C ATOM 164 CD1 TRP A 13 -0.745 -4.020 -3.934 1.00 34.13 C ATOM 165 CD2 TRP A 13 -1.716 -5.857 -2.961 1.00 43.22 C ATOM 166 NE1 TRP A 13 -1.244 -4.794 -4.863 1.00 42.24 N ATOM 167 CE2 TRP A 13 -1.819 -5.897 -4.337 1.00 74.31 C ATOM 168 CE3 TRP A 13 -2.236 -6.859 -2.145 1.00 64.42 C ATOM 169 CZ2 TRP A 13 -2.436 -6.962 -4.993 1.00 75.00 C ATOM 170 CZ3 TRP A 13 -2.867 -7.931 -2.790 1.00 14.43 C ATOM 171 CH2 TRP A 13 -2.959 -7.983 -4.191 1.00 1.31 C ATOM 172 H TRP A 13 -1.958 -1.470 -1.137 1.00 22.32 H ATOM 173 HA TRP A 13 -2.390 -4.286 -0.290 1.00 25.02 H ATOM 174 HB2 TRP A 13 0.227 -3.274 -1.543 1.00 11.51 H ATOM 175 HB3 TRP A 13 -0.081 -4.913 -0.899 1.00 20.52 H ATOM 176 HD1 TRP A 13 -0.224 -3.077 -4.106 1.00 24.21 H ATOM 177 HE1 TRP A 13 -1.196 -4.594 -5.872 1.00 65.52 H ATOM 178 HE3 TRP A 13 -2.152 -6.808 -1.063 1.00 14.50 H ATOM 179 HZ2 TRP A 13 -2.503 -6.994 -6.076 1.00 20.01 H ATOM 180 HZ3 TRP A 13 -3.290 -8.735 -2.195 1.00 14.44 H ATOM 181 HH2 TRP A 13 -3.446 -8.833 -4.662 1.00 2.15 H ATOM 182 N ASN A 14 0.022 -3.199 1.359 1.00 62.53 N ATOM 183 CA ASN A 14 0.407 -2.834 2.727 1.00 33.24 C ATOM 184 C ASN A 14 1.873 -2.428 2.720 1.00 45.32 C ATOM 185 O ASN A 14 2.647 -3.197 2.176 1.00 33.12 O ATOM 186 CB ASN A 14 0.224 -4.113 3.601 1.00 41.04 C ATOM 187 CG ASN A 14 -0.782 -4.033 4.727 1.00 73.15 C ATOM 188 OD1 ASN A 14 -1.665 -3.192 4.699 1.00 4.54 O ATOM 189 ND2 ASN A 14 -0.675 -4.929 5.734 1.00 64.31 N ATOM 190 H ASN A 14 0.715 -3.692 0.838 1.00 3.22 H ATOM 191 HA ASN A 14 -0.199 -1.992 3.096 1.00 43.13 H ATOM 192 HB2 ASN A 14 -0.096 -4.954 2.966 1.00 74.41 H ATOM 193 HB3 ASN A 14 1.194 -4.395 4.026 1.00 20.50 H ATOM 194 HD21 ASN A 14 0.047 -5.622 5.742 1.00 44.22 H ATOM 195 HD22 ASN A 14 -1.332 -4.915 6.486 1.00 54.43 H ATOM 196 N THR A 15 2.313 -1.277 3.283 1.00 21.00 N ATOM 197 CA THR A 15 3.718 -0.856 3.135 1.00 73.14 C ATOM 198 C THR A 15 4.477 -1.118 4.421 1.00 23.24 C ATOM 199 O THR A 15 3.895 -0.814 5.449 1.00 14.21 O ATOM 200 CB THR A 15 3.781 0.630 2.663 1.00 53.42 C ATOM 201 OG1 THR A 15 4.362 0.777 1.352 1.00 73.51 O ATOM 202 CG2 THR A 15 4.448 1.610 3.658 1.00 73.44 C ATOM 203 H THR A 15 1.691 -0.696 3.811 1.00 21.24 H ATOM 204 HA THR A 15 4.174 -1.430 2.323 1.00 33.34 H ATOM 205 HB THR A 15 2.746 0.960 2.549 1.00 62.31 H ATOM 206 HG1 THR A 15 5.285 0.550 1.335 1.00 53.44 H ATOM 207 HG21 THR A 15 3.985 1.535 4.648 1.00 71.12 H ATOM 208 HG22 THR A 15 4.352 2.644 3.297 1.00 21.14 H ATOM 209 HG23 THR A 15 5.512 1.381 3.751 1.00 3.11 H ATOM 210 N PRO A 16 5.725 -1.661 4.468 1.00 0.10 N ATOM 211 CA PRO A 16 6.373 -1.885 5.756 1.00 13.25 C ATOM 212 C PRO A 16 6.978 -0.620 6.329 1.00 54.34 C ATOM 213 O PRO A 16 7.082 -0.538 7.542 1.00 3.15 O ATOM 214 CB PRO A 16 7.462 -2.901 5.326 1.00 21.43 C ATOM 215 CG PRO A 16 7.808 -2.521 3.868 1.00 13.34 C ATOM 216 CD PRO A 16 6.441 -2.099 3.275 1.00 61.13 C ATOM 217 HA PRO A 16 5.690 -2.349 6.488 1.00 41.13 H ATOM 218 HB2 PRO A 16 8.341 -2.903 5.992 1.00 11.43 H ATOM 219 HB3 PRO A 16 7.027 -3.915 5.316 1.00 51.24 H ATOM 220 HG2 PRO A 16 8.516 -1.677 3.874 1.00 63.21 H ATOM 221 HG3 PRO A 16 8.271 -3.351 3.310 1.00 30.02 H ATOM 222 HD2 PRO A 16 6.565 -1.307 2.521 1.00 72.12 H ATOM 223 HD3 PRO A 16 5.936 -2.977 2.838 1.00 64.15 H ATOM 224 N TRP A 17 7.399 0.361 5.496 1.00 12.34 N ATOM 225 CA TRP A 17 8.086 1.550 6.005 1.00 72.21 C ATOM 226 C TRP A 17 7.383 2.130 7.217 1.00 33.42 C ATOM 227 O TRP A 17 7.996 2.183 8.272 1.00 73.40 O ATOM 228 CB TRP A 17 8.264 2.662 4.928 1.00 21.41 C ATOM 229 CG TRP A 17 8.816 2.108 3.640 1.00 71.03 C ATOM 230 CD1 TRP A 17 8.192 2.043 2.450 1.00 11.41 C ATOM 231 CD2 TRP A 17 10.185 1.504 3.446 1.00 35.14 C ATOM 232 NE1 TRP A 17 8.976 1.468 1.574 1.00 73.41 N ATOM 233 CE2 TRP A 17 10.160 1.125 2.119 1.00 12.53 C ATOM 234 CE3 TRP A 17 11.303 1.299 4.254 1.00 53.31 C ATOM 235 CZ2 TRP A 17 11.248 0.490 1.517 1.00 21.32 C ATOM 236 CZ3 TRP A 17 12.402 0.665 3.663 1.00 23.13 C ATOM 237 CH2 TRP A 17 12.373 0.265 2.317 1.00 40.42 C ATOM 238 H TRP A 17 7.324 0.250 4.510 1.00 74.24 H ATOM 239 HA TRP A 17 9.093 1.218 6.304 1.00 61.30 H ATOM 240 HB2 TRP A 17 7.297 3.139 4.708 1.00 14.20 H ATOM 241 HB3 TRP A 17 8.946 3.440 5.303 1.00 62.12 H ATOM 242 HD1 TRP A 17 7.187 2.407 2.239 1.00 75.10 H ATOM 243 HE1 TRP A 17 8.718 1.296 0.591 1.00 24.52 H ATOM 244 HE3 TRP A 17 11.322 1.622 5.290 1.00 13.40 H ATOM 245 HZ2 TRP A 17 11.215 0.187 0.475 1.00 72.42 H ATOM 246 HZ3 TRP A 17 13.293 0.479 4.257 1.00 50.21 H ATOM 247 HH2 TRP A 17 13.241 -0.228 1.887 1.00 60.43 H ATOM 248 N ALA A 18 6.104 2.557 7.086 1.00 42.41 N ATOM 249 CA ALA A 18 5.358 3.093 8.224 1.00 12.01 C ATOM 250 C ALA A 18 4.378 2.039 8.678 1.00 65.14 C ATOM 251 O ALA A 18 3.920 1.291 7.829 1.00 54.44 O ATOM 252 CB ALA A 18 4.577 4.371 7.823 1.00 44.40 C ATOM 253 H ALA A 18 5.615 2.469 6.219 1.00 33.22 H ATOM 254 HA ALA A 18 6.033 3.371 9.050 1.00 35.52 H ATOM 255 HB1 ALA A 18 3.864 4.145 7.016 1.00 52.14 H ATOM 256 HB2 ALA A 18 4.018 4.767 8.685 1.00 5.01 H ATOM 257 HB3 ALA A 18 5.277 5.144 7.468 1.00 24.51 H ATOM 258 N CYS A 19 4.047 1.966 9.990 1.00 1.43 N ATOM 259 CA CYS A 19 3.126 0.938 10.474 1.00 53.33 C ATOM 260 C CYS A 19 2.389 1.454 11.675 1.00 0.00 C ATOM 261 O CYS A 19 1.161 1.391 11.717 1.00 0.00 O ATOM 262 CB CYS A 19 3.909 -0.339 10.880 1.00 21.10 C ATOM 263 SG CYS A 19 4.741 -1.081 9.436 1.00 52.01 S ATOM 264 OXT CYS A 19 3.065 1.981 12.697 1.00 0.00 O ATOM 265 H CYS A 19 4.453 2.590 10.663 1.00 12.25 H ATOM 266 HA CYS A 19 2.378 0.705 9.702 1.00 30.20 H ATOM 267 HB2 CYS A 19 4.681 -0.067 11.616 1.00 11.03 H ATOM 268 HB3 CYS A 19 3.234 -1.082 11.332 1.00 53.44 H ATOM 269 HXT CYS A 19 2.443 2.258 13.374 1.00 0.00 H TER 270 CYS A 19 ENDMDL MODEL 10 ATOM 1 N GLY A 1 1.758 0.705 -0.380 1.00 25.13 N ATOM 2 CA GLY A 1 1.263 -0.634 -0.686 1.00 54.15 C ATOM 3 C GLY A 1 2.193 -1.553 -1.445 1.00 14.45 C ATOM 4 O GLY A 1 2.241 -1.455 -2.661 1.00 30.25 O ATOM 5 H1 GLY A 1 2.527 1.073 -0.906 1.00 74.54 H ATOM 6 HA2 GLY A 1 0.960 -1.136 0.244 1.00 64.31 H ATOM 7 HA3 GLY A 1 0.356 -0.533 -1.300 1.00 2.34 H ATOM 8 N LEU A 2 2.893 -2.479 -0.740 1.00 52.41 N ATOM 9 CA LEU A 2 3.502 -3.648 -1.386 1.00 73.43 C ATOM 10 C LEU A 2 2.753 -4.835 -0.796 1.00 42.04 C ATOM 11 O LEU A 2 2.261 -4.657 0.305 1.00 35.15 O ATOM 12 CB LEU A 2 5.031 -3.799 -1.091 1.00 11.54 C ATOM 13 CG LEU A 2 5.767 -2.528 -0.568 1.00 43.05 C ATOM 14 CD1 LEU A 2 7.233 -2.873 -0.181 1.00 60.32 C ATOM 15 CD2 LEU A 2 5.772 -1.361 -1.589 1.00 43.43 C ATOM 16 H LEU A 2 2.900 -2.462 0.261 1.00 45.55 H ATOM 17 HA LEU A 2 3.340 -3.620 -2.475 1.00 51.20 H ATOM 18 HB2 LEU A 2 5.148 -4.557 -0.301 1.00 41.53 H ATOM 19 HB3 LEU A 2 5.556 -4.170 -1.987 1.00 24.14 H ATOM 20 HG LEU A 2 5.266 -2.179 0.346 1.00 43.25 H ATOM 21 HD11 LEU A 2 7.248 -3.657 0.589 1.00 1.01 H ATOM 22 HD12 LEU A 2 7.742 -1.985 0.226 1.00 2.05 H ATOM 23 HD13 LEU A 2 7.800 -3.230 -1.056 1.00 23.21 H ATOM 24 HD21 LEU A 2 4.750 -1.063 -1.854 1.00 10.10 H ATOM 25 HD22 LEU A 2 6.304 -1.660 -2.505 1.00 74.34 H ATOM 26 HD23 LEU A 2 6.278 -0.485 -1.151 1.00 71.51 H ATOM 27 N PRO A 3 2.603 -6.050 -1.379 1.00 62.34 N ATOM 28 CA PRO A 3 1.904 -7.122 -0.668 1.00 2.34 C ATOM 29 C PRO A 3 2.770 -7.770 0.395 1.00 43.43 C ATOM 30 O PRO A 3 3.009 -8.963 0.312 1.00 65.10 O ATOM 31 CB PRO A 3 1.550 -8.019 -1.882 1.00 72.11 C ATOM 32 CG PRO A 3 2.758 -7.830 -2.826 1.00 41.41 C ATOM 33 CD PRO A 3 3.070 -6.317 -2.730 1.00 40.21 C ATOM 34 HA PRO A 3 0.978 -6.807 -0.165 1.00 4.42 H ATOM 35 HB2 PRO A 3 1.359 -9.070 -1.614 1.00 33.04 H ATOM 36 HB3 PRO A 3 0.654 -7.617 -2.387 1.00 32.04 H ATOM 37 HG2 PRO A 3 3.599 -8.403 -2.414 1.00 4.13 H ATOM 38 HG3 PRO A 3 2.563 -8.173 -3.856 1.00 40.43 H ATOM 39 HD2 PRO A 3 4.140 -6.105 -2.879 1.00 73.33 H ATOM 40 HD3 PRO A 3 2.460 -5.754 -3.455 1.00 64.32 H ATOM 41 N TRP A 4 3.222 -6.996 1.415 1.00 53.51 N ATOM 42 CA TRP A 4 4.013 -7.551 2.519 1.00 10.13 C ATOM 43 C TRP A 4 4.409 -6.415 3.453 1.00 35.12 C ATOM 44 O TRP A 4 5.545 -5.972 3.407 1.00 53.33 O ATOM 45 CB TRP A 4 5.237 -8.395 2.036 1.00 61.41 C ATOM 46 CG TRP A 4 5.832 -7.934 0.729 1.00 65.43 C ATOM 47 CD1 TRP A 4 6.476 -6.780 0.490 1.00 50.43 C ATOM 48 CD2 TRP A 4 5.822 -8.700 -0.574 1.00 13.14 C ATOM 49 NE1 TRP A 4 6.824 -6.721 -0.769 1.00 14.31 N ATOM 50 CE2 TRP A 4 6.439 -7.822 -1.443 1.00 44.43 C ATOM 51 CE3 TRP A 4 5.377 -9.954 -0.992 1.00 60.11 C ATOM 52 CZ2 TRP A 4 6.597 -8.117 -2.798 1.00 52.44 C ATOM 53 CZ3 TRP A 4 5.541 -10.271 -2.347 1.00 12.44 C ATOM 54 CH2 TRP A 4 6.132 -9.361 -3.238 1.00 5.11 C ATOM 55 H TRP A 4 2.971 -6.028 1.460 1.00 10.33 H ATOM 56 HA TRP A 4 3.362 -8.216 3.110 1.00 23.02 H ATOM 57 HB2 TRP A 4 6.024 -8.408 2.807 1.00 12.11 H ATOM 58 HB3 TRP A 4 4.927 -9.442 1.894 1.00 61.32 H ATOM 59 HD1 TRP A 4 6.680 -6.006 1.225 1.00 34.15 H ATOM 60 HE1 TRP A 4 7.333 -5.933 -1.194 1.00 53.31 H ATOM 61 HE3 TRP A 4 4.924 -10.658 -0.302 1.00 71.10 H ATOM 62 HZ2 TRP A 4 7.059 -7.408 -3.478 1.00 73.32 H ATOM 63 HZ3 TRP A 4 5.201 -11.234 -2.714 1.00 45.10 H ATOM 64 HH2 TRP A 4 6.228 -9.626 -4.287 1.00 34.51 H ATOM 65 N GLY A 5 3.490 -5.908 4.315 1.00 33.25 N ATOM 66 CA GLY A 5 3.841 -4.765 5.162 1.00 4.40 C ATOM 67 C GLY A 5 2.760 -4.366 6.152 1.00 74.44 C ATOM 68 O GLY A 5 2.381 -5.210 6.948 1.00 64.42 O ATOM 69 H GLY A 5 2.564 -6.285 4.369 1.00 31.53 H ATOM 70 HA2 GLY A 5 4.731 -5.012 5.761 1.00 62.10 H ATOM 71 HA3 GLY A 5 4.107 -3.930 4.497 1.00 30.14 H ATOM 72 N CYS A 6 2.267 -3.100 6.131 1.00 64.05 N ATOM 73 CA CYS A 6 1.317 -2.603 7.130 1.00 42.34 C ATOM 74 C CYS A 6 0.293 -1.689 6.483 1.00 24.31 C ATOM 75 O CYS A 6 0.626 -1.175 5.427 1.00 71.43 O ATOM 76 CB CYS A 6 2.112 -1.694 8.101 1.00 73.31 C ATOM 77 SG CYS A 6 3.502 -2.561 8.881 1.00 62.14 S ATOM 78 H CYS A 6 2.590 -2.436 5.462 1.00 65.20 H ATOM 79 HA CYS A 6 0.826 -3.430 7.667 1.00 55.31 H ATOM 80 HB2 CYS A 6 2.520 -0.839 7.542 1.00 11.51 H ATOM 81 HB3 CYS A 6 1.479 -1.303 8.907 1.00 3.32 H ATOM 82 N PRO A 7 -0.920 -1.418 7.036 1.00 33.42 N ATOM 83 CA PRO A 7 -1.830 -0.482 6.379 1.00 32.14 C ATOM 84 C PRO A 7 -1.314 0.941 6.457 1.00 4.25 C ATOM 85 O PRO A 7 -1.221 1.462 7.557 1.00 21.42 O ATOM 86 CB PRO A 7 -3.101 -0.684 7.246 1.00 61.30 C ATOM 87 CG PRO A 7 -2.561 -1.116 8.629 1.00 10.42 C ATOM 88 CD PRO A 7 -1.387 -2.053 8.264 1.00 32.32 C ATOM 89 HA PRO A 7 -2.038 -0.775 5.338 1.00 2.11 H ATOM 90 HB2 PRO A 7 -3.740 0.212 7.294 1.00 35.25 H ATOM 91 HB3 PRO A 7 -3.698 -1.522 6.845 1.00 2.34 H ATOM 92 HG2 PRO A 7 -2.178 -0.234 9.167 1.00 1.52 H ATOM 93 HG3 PRO A 7 -3.323 -1.606 9.258 1.00 14.21 H ATOM 94 HD2 PRO A 7 -0.667 -2.098 9.092 1.00 63.45 H ATOM 95 HD3 PRO A 7 -1.761 -3.064 8.042 1.00 3.35 H ATOM 96 N SER A 8 -0.987 1.596 5.314 1.00 31.31 N ATOM 97 CA SER A 8 -0.515 2.983 5.363 1.00 51.10 C ATOM 98 C SER A 8 -0.439 3.605 3.978 1.00 34.04 C ATOM 99 O SER A 8 -1.105 4.604 3.749 1.00 2.14 O ATOM 100 CB SER A 8 0.865 3.082 6.068 1.00 5.15 C ATOM 101 OG SER A 8 1.778 2.116 5.533 1.00 53.54 O ATOM 102 H SER A 8 -1.060 1.147 4.420 1.00 43.03 H ATOM 103 HA SER A 8 -1.238 3.576 5.950 1.00 24.24 H ATOM 104 HB2 SER A 8 1.285 4.087 5.907 1.00 13.15 H ATOM 105 HB3 SER A 8 0.782 2.927 7.156 1.00 21.32 H ATOM 106 HG SER A 8 1.509 1.217 5.694 1.00 73.53 H ATOM 107 N ASP A 9 0.356 3.045 3.034 1.00 34.03 N ATOM 108 CA ASP A 9 0.404 3.602 1.673 1.00 54.04 C ATOM 109 C ASP A 9 -0.949 3.437 1.004 1.00 41.43 C ATOM 110 O ASP A 9 -1.873 2.988 1.664 1.00 53.15 O ATOM 111 CB ASP A 9 1.490 2.879 0.815 1.00 41.24 C ATOM 112 CG ASP A 9 1.095 1.441 0.549 1.00 41.04 C ATOM 113 OD1 ASP A 9 0.169 0.970 1.193 1.00 55.41 O ATOM 114 H ASP A 9 0.901 2.233 3.251 1.00 52.43 H ATOM 115 HA ASP A 9 0.655 4.674 1.728 1.00 10.32 H ATOM 116 HB2 ASP A 9 1.645 3.377 -0.153 1.00 51.00 H ATOM 117 HB3 ASP A 9 2.450 2.946 1.345 1.00 43.41 H ATOM 118 N ILE A 10 -1.063 3.772 -0.305 1.00 64.25 N ATOM 119 CA ILE A 10 -2.253 3.451 -1.100 1.00 10.42 C ATOM 120 C ILE A 10 -2.985 2.205 -0.620 1.00 42.35 C ATOM 121 O ILE A 10 -2.323 1.295 -0.146 1.00 5.23 O ATOM 122 CB ILE A 10 -1.871 3.214 -2.600 1.00 52.11 C ATOM 123 CG1 ILE A 10 -0.628 2.278 -2.725 1.00 64.43 C ATOM 124 CG2 ILE A 10 -1.652 4.554 -3.363 1.00 72.25 C ATOM 125 CD1 ILE A 10 -0.579 1.482 -4.057 1.00 31.13 C ATOM 126 H ILE A 10 -0.338 4.289 -0.756 1.00 25.33 H ATOM 127 HA ILE A 10 -2.916 4.324 -1.011 1.00 74.13 H ATOM 128 HB ILE A 10 -2.720 2.719 -3.099 1.00 34.22 H ATOM 129 HG12 ILE A 10 0.302 2.860 -2.620 1.00 75.24 H ATOM 130 HG13 ILE A 10 -0.643 1.535 -1.917 1.00 73.34 H ATOM 131 HG21 ILE A 10 -2.562 5.172 -3.306 1.00 52.44 H ATOM 132 HG22 ILE A 10 -0.815 5.132 -2.944 1.00 33.32 H ATOM 133 HG23 ILE A 10 -1.439 4.365 -4.426 1.00 12.02 H ATOM 134 HD11 ILE A 10 -1.465 0.834 -4.151 1.00 34.53 H ATOM 135 HD12 ILE A 10 -0.540 2.155 -4.926 1.00 25.35 H ATOM 136 HD13 ILE A 10 0.318 0.841 -4.072 1.00 73.02 H ATOM 137 N PRO A 11 -4.335 2.081 -0.720 1.00 14.20 N ATOM 138 CA PRO A 11 -4.997 0.894 -0.187 1.00 74.24 C ATOM 139 C PRO A 11 -4.796 -0.354 -1.020 1.00 11.31 C ATOM 140 O PRO A 11 -5.321 -1.382 -0.620 1.00 22.03 O ATOM 141 CB PRO A 11 -6.469 1.375 -0.244 1.00 14.55 C ATOM 142 CG PRO A 11 -6.494 2.314 -1.469 1.00 73.04 C ATOM 143 CD PRO A 11 -5.178 3.111 -1.318 1.00 14.30 C ATOM 144 HA PRO A 11 -4.696 0.689 0.853 1.00 23.13 H ATOM 145 HB2 PRO A 11 -7.199 0.553 -0.319 1.00 52.22 H ATOM 146 HB3 PRO A 11 -6.698 1.973 0.656 1.00 44.15 H ATOM 147 HG2 PRO A 11 -6.459 1.701 -2.386 1.00 35.30 H ATOM 148 HG3 PRO A 11 -7.385 2.961 -1.501 1.00 60.12 H ATOM 149 HD2 PRO A 11 -4.842 3.492 -2.295 1.00 4.43 H ATOM 150 HD3 PRO A 11 -5.313 3.945 -0.610 1.00 35.53 H ATOM 151 N GLY A 12 -4.062 -0.325 -2.158 1.00 5.53 N ATOM 152 CA GLY A 12 -3.879 -1.548 -2.937 1.00 41.11 C ATOM 153 C GLY A 12 -3.304 -2.671 -2.108 1.00 54.24 C ATOM 154 O GLY A 12 -3.747 -3.798 -2.274 1.00 21.11 O ATOM 155 H GLY A 12 -3.650 0.516 -2.507 1.00 54.41 H ATOM 156 HA2 GLY A 12 -4.854 -1.852 -3.352 1.00 51.35 H ATOM 157 HA3 GLY A 12 -3.189 -1.376 -3.779 1.00 71.41 H ATOM 158 N TRP A 13 -2.311 -2.385 -1.231 1.00 73.12 N ATOM 159 CA TRP A 13 -1.658 -3.453 -0.474 1.00 73.53 C ATOM 160 C TRP A 13 -1.217 -2.942 0.893 1.00 72.23 C ATOM 161 O TRP A 13 -2.057 -2.337 1.540 1.00 32.44 O ATOM 162 CB TRP A 13 -0.526 -4.024 -1.369 1.00 13.30 C ATOM 163 CG TRP A 13 -0.957 -4.553 -2.707 1.00 61.25 C ATOM 164 CD1 TRP A 13 -0.740 -4.004 -3.914 1.00 23.25 C ATOM 165 CD2 TRP A 13 -1.702 -5.843 -2.934 1.00 63.11 C ATOM 166 NE1 TRP A 13 -1.240 -4.785 -4.839 1.00 51.14 N ATOM 167 CE2 TRP A 13 -1.808 -5.886 -4.311 1.00 25.42 C ATOM 168 CE3 TRP A 13 -2.216 -6.846 -2.114 1.00 4.10 C ATOM 169 CZ2 TRP A 13 -2.424 -6.955 -4.962 1.00 62.23 C ATOM 170 CZ3 TRP A 13 -2.845 -7.921 -2.756 1.00 64.21 C ATOM 171 CH2 TRP A 13 -2.942 -7.976 -4.155 1.00 72.11 C ATOM 172 H TRP A 13 -1.966 -1.451 -1.129 1.00 24.34 H ATOM 173 HA TRP A 13 -2.375 -4.264 -0.263 1.00 31.45 H ATOM 174 HB2 TRP A 13 0.234 -3.250 -1.532 1.00 11.24 H ATOM 175 HB3 TRP A 13 -0.066 -4.886 -0.877 1.00 15.44 H ATOM 176 HD1 TRP A 13 -0.224 -3.060 -4.090 1.00 32.22 H ATOM 177 HE1 TRP A 13 -1.196 -4.584 -5.850 1.00 34.13 H ATOM 178 HE3 TRP A 13 -2.130 -6.792 -1.034 1.00 31.12 H ATOM 179 HZ2 TRP A 13 -2.496 -6.988 -6.044 1.00 24.10 H ATOM 180 HZ3 TRP A 13 -3.265 -8.725 -2.158 1.00 44.13 H ATOM 181 HH2 TRP A 13 -3.429 -8.827 -4.624 1.00 5.22 H ATOM 182 N ASN A 14 0.036 -3.160 1.375 1.00 4.13 N ATOM 183 CA ASN A 14 0.421 -2.791 2.743 1.00 31.23 C ATOM 184 C ASN A 14 1.892 -2.404 2.740 1.00 23.41 C ATOM 185 O ASN A 14 2.657 -3.222 2.256 1.00 71.22 O ATOM 186 CB ASN A 14 0.228 -4.070 3.615 1.00 0.20 C ATOM 187 CG ASN A 14 -0.815 -4.006 4.706 1.00 72.31 C ATOM 188 OD1 ASN A 14 -1.712 -3.181 4.646 1.00 5.40 O ATOM 189 ND2 ASN A 14 -0.724 -4.896 5.720 1.00 60.34 N ATOM 190 H ASN A 14 0.728 -3.657 0.858 1.00 50.42 H ATOM 191 HA ASN A 14 -0.179 -1.946 3.114 1.00 14.44 H ATOM 192 HB2 ASN A 14 -0.050 -4.920 2.973 1.00 30.34 H ATOM 193 HB3 ASN A 14 1.183 -4.333 4.080 1.00 42.41 H ATOM 194 HD21 ASN A 14 0.010 -5.576 5.756 1.00 62.03 H ATOM 195 HD22 ASN A 14 -1.406 -4.891 6.450 1.00 3.41 H ATOM 196 N THR A 15 2.345 -1.227 3.242 1.00 31.12 N ATOM 197 CA THR A 15 3.766 -0.855 3.111 1.00 52.32 C ATOM 198 C THR A 15 4.508 -1.105 4.407 1.00 71.31 C ATOM 199 O THR A 15 3.918 -0.794 5.429 1.00 25.30 O ATOM 200 CB THR A 15 3.920 0.596 2.566 1.00 1.41 C ATOM 201 OG1 THR A 15 4.788 0.622 1.414 1.00 51.21 O ATOM 202 CG2 THR A 15 4.414 1.632 3.608 1.00 63.11 C ATOM 203 H THR A 15 1.726 -0.596 3.713 1.00 12.41 H ATOM 204 HA THR A 15 4.202 -1.480 2.327 1.00 23.32 H ATOM 205 HB THR A 15 2.916 0.888 2.243 1.00 62.33 H ATOM 206 HG1 THR A 15 4.834 1.478 1.000 1.00 50.54 H ATOM 207 HG21 THR A 15 4.297 2.654 3.219 1.00 21.44 H ATOM 208 HG22 THR A 15 5.475 1.467 3.813 1.00 2.20 H ATOM 209 HG23 THR A 15 3.864 1.553 4.550 1.00 13.40 H ATOM 210 N PRO A 16 5.751 -1.655 4.465 1.00 11.32 N ATOM 211 CA PRO A 16 6.386 -1.887 5.757 1.00 61.20 C ATOM 212 C PRO A 16 6.992 -0.625 6.337 1.00 53.11 C ATOM 213 O PRO A 16 7.121 -0.558 7.549 1.00 0.54 O ATOM 214 CB PRO A 16 7.484 -2.893 5.325 1.00 34.31 C ATOM 215 CG PRO A 16 7.847 -2.485 3.879 1.00 73.04 C ATOM 216 CD PRO A 16 6.481 -2.079 3.275 1.00 52.44 C ATOM 217 HA PRO A 16 5.699 -2.355 6.483 1.00 31.33 H ATOM 218 HB2 PRO A 16 8.356 -2.899 5.998 1.00 34.34 H ATOM 219 HB3 PRO A 16 7.055 -3.909 5.291 1.00 12.42 H ATOM 220 HG2 PRO A 16 8.540 -1.628 3.910 1.00 31.45 H ATOM 221 HG3 PRO A 16 8.334 -3.300 3.319 1.00 61.23 H ATOM 222 HD2 PRO A 16 6.598 -1.284 2.521 1.00 10.14 H ATOM 223 HD3 PRO A 16 5.998 -2.967 2.834 1.00 42.40 H ATOM 224 N TRP A 17 7.387 0.371 5.508 1.00 51.40 N ATOM 225 CA TRP A 17 8.087 1.549 6.022 1.00 4.03 C ATOM 226 C TRP A 17 7.368 2.142 7.216 1.00 65.51 C ATOM 227 O TRP A 17 7.971 2.222 8.275 1.00 32.12 O ATOM 228 CB TRP A 17 8.298 2.651 4.942 1.00 23.53 C ATOM 229 CG TRP A 17 8.813 2.068 3.651 1.00 75.24 C ATOM 230 CD1 TRP A 17 8.180 2.040 2.465 1.00 31.25 C ATOM 231 CD2 TRP A 17 10.143 1.385 3.451 1.00 72.45 C ATOM 232 NE1 TRP A 17 8.924 1.420 1.585 1.00 21.02 N ATOM 233 CE2 TRP A 17 10.088 1.008 2.123 1.00 22.52 C ATOM 234 CE3 TRP A 17 11.253 1.116 4.251 1.00 30.10 C ATOM 235 CZ2 TRP A 17 11.132 0.310 1.515 1.00 61.32 C ATOM 236 CZ3 TRP A 17 12.307 0.413 3.654 1.00 44.12 C ATOM 237 CH2 TRP A 17 12.247 0.015 2.309 1.00 62.54 C ATOM 238 H TRP A 17 7.276 0.278 4.524 1.00 75.34 H ATOM 239 HA TRP A 17 9.085 1.205 6.341 1.00 3.13 H ATOM 240 HB2 TRP A 17 7.346 3.163 4.737 1.00 3.33 H ATOM 241 HB3 TRP A 17 9.013 3.404 5.308 1.00 63.50 H ATOM 242 HD1 TRP A 17 7.196 2.460 2.260 1.00 74.23 H ATOM 243 HE1 TRP A 17 8.653 1.267 0.602 1.00 1.15 H ATOM 244 HE3 TRP A 17 11.299 1.441 5.284 1.00 50.23 H ATOM 245 HZ2 TRP A 17 11.078 0.012 0.472 1.00 73.24 H ATOM 246 HZ3 TRP A 17 13.186 0.173 4.244 1.00 32.32 H ATOM 247 HH2 TRP A 17 13.080 -0.531 1.876 1.00 14.35 H ATOM 248 N ALA A 18 6.086 2.552 7.061 1.00 43.45 N ATOM 249 CA ALA A 18 5.327 3.114 8.178 1.00 32.42 C ATOM 250 C ALA A 18 4.343 2.071 8.647 1.00 54.03 C ATOM 251 O ALA A 18 3.866 1.328 7.803 1.00 45.43 O ATOM 252 CB ALA A 18 4.545 4.377 7.733 1.00 31.32 C ATOM 253 H ALA A 18 5.606 2.438 6.191 1.00 32.23 H ATOM 254 HA ALA A 18 5.993 3.414 9.004 1.00 40.13 H ATOM 255 HB1 ALA A 18 3.842 4.124 6.925 1.00 54.33 H ATOM 256 HB2 ALA A 18 3.974 4.795 8.578 1.00 2.35 H ATOM 257 HB3 ALA A 18 5.245 5.143 7.365 1.00 24.25 H ATOM 258 N CYS A 19 4.028 2.003 9.964 1.00 2.34 N ATOM 259 CA CYS A 19 3.093 0.993 10.459 1.00 41.22 C ATOM 260 C CYS A 19 2.306 1.569 11.600 1.00 0.00 C ATOM 261 O CYS A 19 2.292 0.996 12.688 1.00 0.00 O ATOM 262 CB CYS A 19 3.860 -0.293 10.874 1.00 74.55 C ATOM 263 SG CYS A 19 4.715 -1.028 9.440 1.00 61.44 S ATOM 264 OXT CYS A 19 1.622 2.702 11.434 1.00 0.00 O ATOM 265 H CYS A 19 4.451 2.618 10.633 1.00 72.03 H ATOM 266 HA CYS A 19 2.342 0.758 9.691 1.00 40.45 H ATOM 267 HB2 CYS A 19 4.619 -0.028 11.625 1.00 72.33 H ATOM 268 HB3 CYS A 19 3.175 -1.038 11.308 1.00 3.33 H ATOM 269 HXT CYS A 19 1.181 2.925 12.257 1.00 0.00 H TER 270 CYS A 19 ENDMDL MODEL 11 ATOM 1 N GLY A 1 1.768 0.684 -0.355 1.00 32.31 N ATOM 2 CA GLY A 1 1.265 -0.649 -0.681 1.00 1.04 C ATOM 3 C GLY A 1 2.193 -1.572 -1.438 1.00 22.44 C ATOM 4 O GLY A 1 2.240 -1.479 -2.655 1.00 24.05 O ATOM 5 H1 GLY A 1 2.552 1.049 -0.862 1.00 21.13 H ATOM 6 HA2 GLY A 1 0.946 -1.159 0.238 1.00 42.33 H ATOM 7 HA3 GLY A 1 0.367 -0.532 -1.305 1.00 2.22 H ATOM 8 N LEU A 2 2.889 -2.498 -0.730 1.00 14.23 N ATOM 9 CA LEU A 2 3.503 -3.667 -1.369 1.00 12.24 C ATOM 10 C LEU A 2 2.741 -4.856 -0.801 1.00 45.54 C ATOM 11 O LEU A 2 2.238 -4.685 0.296 1.00 32.11 O ATOM 12 CB LEU A 2 5.017 -3.821 -1.018 1.00 62.30 C ATOM 13 CG LEU A 2 5.762 -2.519 -0.594 1.00 31.13 C ATOM 14 CD1 LEU A 2 7.221 -2.849 -0.167 1.00 30.24 C ATOM 15 CD2 LEU A 2 5.785 -1.442 -1.709 1.00 1.14 C ATOM 16 H LEU A 2 2.895 -2.480 0.270 1.00 4.23 H ATOM 17 HA LEU A 2 3.378 -3.627 -2.463 1.00 63.21 H ATOM 18 HB2 LEU A 2 5.101 -4.503 -0.158 1.00 22.45 H ATOM 19 HB3 LEU A 2 5.548 -4.282 -1.867 1.00 51.13 H ATOM 20 HG LEU A 2 5.260 -2.087 0.285 1.00 65.31 H ATOM 21 HD11 LEU A 2 7.732 -1.941 0.190 1.00 30.23 H ATOM 22 HD12 LEU A 2 7.792 -3.261 -1.014 1.00 53.41 H ATOM 23 HD13 LEU A 2 7.227 -3.587 0.649 1.00 1.31 H ATOM 24 HD21 LEU A 2 4.767 -1.156 -2.003 1.00 53.44 H ATOM 25 HD22 LEU A 2 6.317 -1.820 -2.595 1.00 31.40 H ATOM 26 HD23 LEU A 2 6.299 -0.539 -1.342 1.00 42.32 H ATOM 27 N PRO A 3 2.590 -6.067 -1.391 1.00 24.04 N ATOM 28 CA PRO A 3 1.893 -7.143 -0.682 1.00 24.53 C ATOM 29 C PRO A 3 2.763 -7.788 0.381 1.00 33.42 C ATOM 30 O PRO A 3 3.011 -8.979 0.296 1.00 45.33 O ATOM 31 CB PRO A 3 1.540 -8.037 -1.897 1.00 63.52 C ATOM 32 CG PRO A 3 2.745 -7.841 -2.844 1.00 34.42 C ATOM 33 CD PRO A 3 3.056 -6.329 -2.743 1.00 40.21 C ATOM 34 HA PRO A 3 0.964 -6.833 -0.181 1.00 32.13 H ATOM 35 HB2 PRO A 3 1.353 -9.090 -1.630 1.00 51.31 H ATOM 36 HB3 PRO A 3 0.642 -7.636 -2.398 1.00 32.22 H ATOM 37 HG2 PRO A 3 3.586 -8.416 -2.435 1.00 3.32 H ATOM 38 HG3 PRO A 3 2.547 -8.180 -3.874 1.00 73.31 H ATOM 39 HD2 PRO A 3 4.125 -6.116 -2.892 1.00 15.31 H ATOM 40 HD3 PRO A 3 2.445 -5.760 -3.463 1.00 55.40 H ATOM 41 N TRP A 4 3.208 -7.012 1.402 1.00 21.23 N ATOM 42 CA TRP A 4 4.006 -7.560 2.504 1.00 42.53 C ATOM 43 C TRP A 4 4.394 -6.420 3.436 1.00 22.41 C ATOM 44 O TRP A 4 5.522 -5.957 3.375 1.00 72.25 O ATOM 45 CB TRP A 4 5.238 -8.392 2.020 1.00 71.43 C ATOM 46 CG TRP A 4 5.832 -7.926 0.713 1.00 15.24 C ATOM 47 CD1 TRP A 4 6.478 -6.772 0.476 1.00 70.42 C ATOM 48 CD2 TRP A 4 5.821 -8.690 -0.589 1.00 31.34 C ATOM 49 NE1 TRP A 4 6.824 -6.713 -0.783 1.00 62.12 N ATOM 50 CE2 TRP A 4 6.436 -7.811 -1.460 1.00 50.32 C ATOM 51 CE3 TRP A 4 5.377 -9.946 -1.011 1.00 34.43 C ATOM 52 CZ2 TRP A 4 6.589 -8.102 -2.816 1.00 23.42 C ATOM 53 CZ3 TRP A 4 5.538 -10.260 -2.366 1.00 2.43 C ATOM 54 CH2 TRP A 4 6.124 -9.348 -3.258 1.00 4.32 C ATOM 55 H TRP A 4 2.946 -6.047 1.451 1.00 54.44 H ATOM 56 HA TRP A 4 3.363 -8.233 3.096 1.00 3.01 H ATOM 57 HB2 TRP A 4 6.025 -8.397 2.791 1.00 21.52 H ATOM 58 HB3 TRP A 4 4.939 -9.442 1.878 1.00 12.52 H ATOM 59 HD1 TRP A 4 6.688 -5.997 1.209 1.00 11.50 H ATOM 60 HE1 TRP A 4 7.339 -5.926 -1.205 1.00 62.42 H ATOM 61 HE3 TRP A 4 4.928 -10.652 -0.321 1.00 33.33 H ATOM 62 HZ2 TRP A 4 7.046 -7.393 -3.496 1.00 70.25 H ATOM 63 HZ3 TRP A 4 5.200 -11.225 -2.734 1.00 2.24 H ATOM 64 HH2 TRP A 4 6.216 -9.610 -4.307 1.00 73.33 H ATOM 65 N GLY A 5 3.478 -5.932 4.313 1.00 75.31 N ATOM 66 CA GLY A 5 3.820 -4.782 5.154 1.00 53.40 C ATOM 67 C GLY A 5 2.741 -4.390 6.150 1.00 0.43 C ATOM 68 O GLY A 5 2.349 -5.242 6.930 1.00 63.32 O ATOM 69 H GLY A 5 2.561 -6.330 4.386 1.00 22.05 H ATOM 70 HA2 GLY A 5 4.718 -5.019 5.745 1.00 33.34 H ATOM 71 HA3 GLY A 5 4.070 -3.944 4.486 1.00 73.24 H ATOM 72 N CYS A 6 2.265 -3.117 6.148 1.00 31.33 N ATOM 73 CA CYS A 6 1.319 -2.619 7.151 1.00 63.11 C ATOM 74 C CYS A 6 0.291 -1.709 6.504 1.00 1.54 C ATOM 75 O CYS A 6 0.614 -1.203 5.442 1.00 23.14 O ATOM 76 CB CYS A 6 2.117 -1.707 8.119 1.00 42.24 C ATOM 77 SG CYS A 6 3.507 -2.572 8.900 1.00 14.25 S ATOM 78 H CYS A 6 2.596 -2.449 5.490 1.00 43.13 H ATOM 79 HA CYS A 6 0.836 -3.445 7.697 1.00 71.14 H ATOM 80 HB2 CYS A 6 2.523 -0.853 7.561 1.00 2.32 H ATOM 81 HB3 CYS A 6 1.484 -1.319 8.925 1.00 31.15 H ATOM 82 N PRO A 7 -0.916 -1.435 7.066 1.00 65.23 N ATOM 83 CA PRO A 7 -1.832 -0.505 6.409 1.00 62.25 C ATOM 84 C PRO A 7 -1.345 0.930 6.488 1.00 72.51 C ATOM 85 O PRO A 7 -1.422 1.507 7.561 1.00 72.10 O ATOM 86 CB PRO A 7 -3.104 -0.734 7.269 1.00 4.54 C ATOM 87 CG PRO A 7 -2.564 -1.153 8.655 1.00 22.01 C ATOM 88 CD PRO A 7 -1.377 -2.073 8.295 1.00 71.31 C ATOM 89 HA PRO A 7 -2.036 -0.791 5.366 1.00 40.43 H ATOM 90 HB2 PRO A 7 -3.766 0.146 7.312 1.00 12.01 H ATOM 91 HB3 PRO A 7 -3.678 -1.585 6.864 1.00 65.22 H ATOM 92 HG2 PRO A 7 -2.195 -0.265 9.193 1.00 41.21 H ATOM 93 HG3 PRO A 7 -3.320 -1.653 9.284 1.00 72.50 H ATOM 94 HD2 PRO A 7 -0.659 -2.105 9.125 1.00 25.31 H ATOM 95 HD3 PRO A 7 -1.736 -3.090 8.076 1.00 53.21 H ATOM 96 N SER A 8 -0.868 1.538 5.371 1.00 73.21 N ATOM 97 CA SER A 8 -0.497 2.959 5.398 1.00 71.11 C ATOM 98 C SER A 8 -0.411 3.596 4.016 1.00 1.25 C ATOM 99 O SER A 8 -0.994 4.653 3.827 1.00 33.10 O ATOM 100 CB SER A 8 0.808 3.207 6.210 1.00 54.30 C ATOM 101 OG SER A 8 1.981 2.725 5.542 1.00 32.23 O ATOM 102 H SER A 8 -0.802 1.028 4.511 1.00 20.30 H ATOM 103 HA SER A 8 -1.309 3.487 5.930 1.00 1.44 H ATOM 104 HB2 SER A 8 0.926 4.284 6.422 1.00 12.42 H ATOM 105 HB3 SER A 8 0.757 2.682 7.175 1.00 10.13 H ATOM 106 HG SER A 8 2.195 3.241 4.772 1.00 42.25 H ATOM 107 N ASP A 9 0.299 2.994 3.030 1.00 60.53 N ATOM 108 CA ASP A 9 0.379 3.581 1.684 1.00 64.11 C ATOM 109 C ASP A 9 -0.969 3.441 1.006 1.00 70.05 C ATOM 110 O ASP A 9 -1.909 3.021 1.663 1.00 33.22 O ATOM 111 CB ASP A 9 1.477 2.859 0.835 1.00 33.14 C ATOM 112 CG ASP A 9 1.089 1.420 0.561 1.00 65.42 C ATOM 113 OD1 ASP A 9 0.149 0.952 1.185 1.00 1.33 O ATOM 114 H ASP A 9 0.753 2.120 3.197 1.00 44.42 H ATOM 115 HA ASP A 9 0.641 4.649 1.759 1.00 41.23 H ATOM 116 HB2 ASP A 9 1.647 3.363 -0.128 1.00 11.10 H ATOM 117 HB3 ASP A 9 2.431 2.922 1.376 1.00 4.33 H ATOM 118 N ILE A 10 -1.064 3.764 -0.308 1.00 63.12 N ATOM 119 CA ILE A 10 -2.251 3.451 -1.109 1.00 2.43 C ATOM 120 C ILE A 10 -2.987 2.207 -0.631 1.00 2.11 C ATOM 121 O ILE A 10 -2.330 1.299 -0.146 1.00 51.34 O ATOM 122 CB ILE A 10 -1.863 3.212 -2.609 1.00 0.02 C ATOM 123 CG1 ILE A 10 -0.625 2.268 -2.728 1.00 11.21 C ATOM 124 CG2 ILE A 10 -1.634 4.551 -3.369 1.00 12.14 C ATOM 125 CD1 ILE A 10 -0.571 1.475 -4.062 1.00 33.04 C ATOM 126 H ILE A 10 -0.327 4.265 -0.756 1.00 1.44 H ATOM 127 HA ILE A 10 -2.911 4.326 -1.022 1.00 71.54 H ATOM 128 HB ILE A 10 -2.714 2.723 -3.111 1.00 52.23 H ATOM 129 HG12 ILE A 10 0.309 2.841 -2.616 1.00 44.52 H ATOM 130 HG13 ILE A 10 -0.652 1.523 -1.922 1.00 5.24 H ATOM 131 HG21 ILE A 10 -0.795 5.121 -2.942 1.00 34.33 H ATOM 132 HG22 ILE A 10 -1.414 4.363 -4.430 1.00 24.13 H ATOM 133 HG23 ILE A 10 -2.539 5.177 -3.318 1.00 40.10 H ATOM 134 HD11 ILE A 10 -1.461 0.834 -4.164 1.00 40.03 H ATOM 135 HD12 ILE A 10 -0.520 2.152 -4.927 1.00 23.34 H ATOM 136 HD13 ILE A 10 0.321 0.829 -4.073 1.00 34.23 H ATOM 137 N PRO A 11 -4.336 2.082 -0.743 1.00 45.43 N ATOM 138 CA PRO A 11 -5.002 0.893 -0.217 1.00 1.01 C ATOM 139 C PRO A 11 -4.807 -0.352 -1.057 1.00 0.45 C ATOM 140 O PRO A 11 -5.369 -1.371 -0.687 1.00 52.52 O ATOM 141 CB PRO A 11 -6.473 1.382 -0.266 1.00 32.03 C ATOM 142 CG PRO A 11 -6.495 2.321 -1.491 1.00 3.33 C ATOM 143 CD PRO A 11 -5.176 3.113 -1.342 1.00 13.34 C ATOM 144 HA PRO A 11 -4.701 0.680 0.822 1.00 55.22 H ATOM 145 HB2 PRO A 11 -7.207 0.564 -0.338 1.00 2.32 H ATOM 146 HB3 PRO A 11 -6.694 1.980 0.635 1.00 73.14 H ATOM 147 HG2 PRO A 11 -6.464 1.709 -2.408 1.00 71.13 H ATOM 148 HG3 PRO A 11 -7.385 2.971 -1.522 1.00 63.23 H ATOM 149 HD2 PRO A 11 -4.835 3.492 -2.319 1.00 73.54 H ATOM 150 HD3 PRO A 11 -5.310 3.949 -0.637 1.00 24.23 H ATOM 151 N GLY A 12 -4.041 -0.329 -2.173 1.00 71.31 N ATOM 152 CA GLY A 12 -3.866 -1.548 -2.960 1.00 11.42 C ATOM 153 C GLY A 12 -3.300 -2.679 -2.134 1.00 74.14 C ATOM 154 O GLY A 12 -3.751 -3.802 -2.304 1.00 61.44 O ATOM 155 H GLY A 12 -3.594 0.504 -2.499 1.00 33.33 H ATOM 156 HA2 GLY A 12 -4.842 -1.841 -3.379 1.00 20.33 H ATOM 157 HA3 GLY A 12 -3.172 -1.377 -3.800 1.00 22.13 H ATOM 158 N TRP A 13 -2.308 -2.403 -1.254 1.00 72.21 N ATOM 159 CA TRP A 13 -1.662 -3.478 -0.500 1.00 43.24 C ATOM 160 C TRP A 13 -1.226 -2.976 0.870 1.00 73.23 C ATOM 161 O TRP A 13 -2.069 -2.375 1.518 1.00 42.20 O ATOM 162 CB TRP A 13 -0.528 -4.044 -1.394 1.00 12.32 C ATOM 163 CG TRP A 13 -0.956 -4.570 -2.734 1.00 22.41 C ATOM 164 CD1 TRP A 13 -0.734 -4.019 -3.941 1.00 74.43 C ATOM 165 CD2 TRP A 13 -1.702 -5.857 -2.967 1.00 63.22 C ATOM 166 NE1 TRP A 13 -1.232 -4.796 -4.869 1.00 11.14 N ATOM 167 CE2 TRP A 13 -1.803 -5.898 -4.345 1.00 43.22 C ATOM 168 CE3 TRP A 13 -2.221 -6.862 -2.151 1.00 61.30 C ATOM 169 CZ2 TRP A 13 -2.419 -6.965 -5.000 1.00 25.20 C ATOM 170 CZ3 TRP A 13 -2.849 -7.935 -2.797 1.00 65.14 C ATOM 171 CH2 TRP A 13 -2.940 -7.987 -4.197 1.00 33.34 C ATOM 172 H TRP A 13 -1.956 -1.471 -1.148 1.00 13.23 H ATOM 173 HA TRP A 13 -2.381 -4.289 -0.297 1.00 70.35 H ATOM 174 HB2 TRP A 13 0.234 -3.271 -1.550 1.00 31.43 H ATOM 175 HB3 TRP A 13 -0.071 -4.910 -0.905 1.00 65.14 H ATOM 176 HD1 TRP A 13 -0.216 -3.076 -4.113 1.00 12.43 H ATOM 177 HE1 TRP A 13 -1.183 -4.594 -5.879 1.00 72.43 H ATOM 178 HE3 TRP A 13 -2.138 -6.810 -1.071 1.00 32.12 H ATOM 179 HZ2 TRP A 13 -2.485 -6.998 -6.083 1.00 15.52 H ATOM 180 HZ3 TRP A 13 -3.271 -8.739 -2.202 1.00 34.01 H ATOM 181 HH2 TRP A 13 -3.426 -8.838 -4.669 1.00 3.21 H ATOM 182 N ASN A 14 0.026 -3.197 1.353 1.00 42.54 N ATOM 183 CA ASN A 14 0.412 -2.827 2.720 1.00 60.34 C ATOM 184 C ASN A 14 1.876 -2.414 2.712 1.00 72.43 C ATOM 185 O ASN A 14 2.654 -3.179 2.168 1.00 1.20 O ATOM 186 CB ASN A 14 0.236 -4.105 3.597 1.00 74.34 C ATOM 187 CG ASN A 14 -0.776 -4.032 4.716 1.00 55.44 C ATOM 188 OD1 ASN A 14 -1.665 -3.197 4.684 1.00 44.13 O ATOM 189 ND2 ASN A 14 -0.666 -4.923 5.727 1.00 21.51 N ATOM 190 H ASN A 14 0.720 -3.690 0.834 1.00 62.33 H ATOM 191 HA ASN A 14 -0.198 -1.988 3.089 1.00 73.44 H ATOM 192 HB2 ASN A 14 -0.072 -4.951 2.963 1.00 21.33 H ATOM 193 HB3 ASN A 14 1.205 -4.376 4.029 1.00 2.13 H ATOM 194 HD21 ASN A 14 0.060 -5.612 5.740 1.00 64.43 H ATOM 195 HD22 ASN A 14 -1.328 -4.913 6.476 1.00 34.14 H ATOM 196 N THR A 15 2.309 -1.260 3.275 1.00 43.52 N ATOM 197 CA THR A 15 3.712 -0.834 3.130 1.00 14.33 C ATOM 198 C THR A 15 4.471 -1.103 4.415 1.00 22.22 C ATOM 199 O THR A 15 3.889 -0.803 5.444 1.00 51.51 O ATOM 200 CB THR A 15 3.774 0.656 2.669 1.00 25.15 C ATOM 201 OG1 THR A 15 4.339 0.810 1.354 1.00 61.21 O ATOM 202 CG2 THR A 15 4.457 1.627 3.663 1.00 52.41 C ATOM 203 H THR A 15 1.684 -0.683 3.805 1.00 64.20 H ATOM 204 HA THR A 15 4.170 -1.401 2.314 1.00 71.20 H ATOM 205 HB THR A 15 2.738 0.991 2.572 1.00 41.02 H ATOM 206 HG1 THR A 15 5.262 0.582 1.324 1.00 53.23 H ATOM 207 HG21 THR A 15 4.006 1.549 4.660 1.00 1.11 H ATOM 208 HG22 THR A 15 4.358 2.665 3.310 1.00 0.25 H ATOM 209 HG23 THR A 15 5.521 1.396 3.740 1.00 5.11 H ATOM 210 N PRO A 16 5.715 -1.654 4.461 1.00 53.40 N ATOM 211 CA PRO A 16 6.360 -1.888 5.748 1.00 45.24 C ATOM 212 C PRO A 16 6.965 -0.626 6.331 1.00 71.20 C ATOM 213 O PRO A 16 7.065 -0.551 7.545 1.00 44.22 O ATOM 214 CB PRO A 16 7.451 -2.901 5.313 1.00 30.25 C ATOM 215 CG PRO A 16 7.797 -2.512 3.858 1.00 65.23 C ATOM 216 CD PRO A 16 6.431 -2.085 3.266 1.00 54.12 C ATOM 217 HA PRO A 16 5.676 -2.358 6.477 1.00 43.34 H ATOM 218 HB2 PRO A 16 8.329 -2.905 5.980 1.00 75.54 H ATOM 219 HB3 PRO A 16 7.017 -3.915 5.297 1.00 52.14 H ATOM 220 HG2 PRO A 16 8.507 -1.669 3.871 1.00 2.24 H ATOM 221 HG3 PRO A 16 8.261 -3.340 3.297 1.00 32.14 H ATOM 222 HD2 PRO A 16 6.558 -1.290 2.515 1.00 55.20 H ATOM 223 HD3 PRO A 16 5.927 -2.960 2.824 1.00 12.53 H ATOM 224 N TRP A 17 7.388 0.359 5.503 1.00 30.10 N ATOM 225 CA TRP A 17 8.080 1.542 6.020 1.00 44.01 C ATOM 226 C TRP A 17 7.375 2.122 7.230 1.00 24.21 C ATOM 227 O TRP A 17 7.980 2.161 8.290 1.00 64.11 O ATOM 228 CB TRP A 17 8.278 2.652 4.945 1.00 61.43 C ATOM 229 CG TRP A 17 8.810 2.090 3.651 1.00 2.20 C ATOM 230 CD1 TRP A 17 8.183 2.062 2.461 1.00 13.41 C ATOM 231 CD2 TRP A 17 10.153 1.434 3.451 1.00 2.43 C ATOM 232 NE1 TRP A 17 8.942 1.462 1.580 1.00 33.14 N ATOM 233 CE2 TRP A 17 10.111 1.066 2.120 1.00 14.53 C ATOM 234 CE3 TRP A 17 11.264 1.179 4.255 1.00 64.42 C ATOM 235 CZ2 TRP A 17 11.169 0.390 1.512 1.00 40.04 C ATOM 236 CZ3 TRP A 17 12.334 0.501 3.657 1.00 22.04 C ATOM 237 CH2 TRP A 17 12.286 0.111 2.309 1.00 73.43 C ATOM 238 H TRP A 17 7.312 0.251 4.518 1.00 22.33 H ATOM 239 HA TRP A 17 9.082 1.200 6.325 1.00 42.30 H ATOM 240 HB2 TRP A 17 7.322 3.152 4.732 1.00 30.35 H ATOM 241 HB3 TRP A 17 8.980 3.413 5.319 1.00 41.00 H ATOM 242 HD1 TRP A 17 7.194 2.468 2.254 1.00 54.34 H ATOM 243 HE1 TRP A 17 8.677 1.310 0.595 1.00 31.24 H ATOM 244 HE3 TRP A 17 11.299 1.495 5.291 1.00 63.24 H ATOM 245 HZ2 TRP A 17 11.123 0.097 0.468 1.00 62.31 H ATOM 246 HZ3 TRP A 17 13.216 0.274 4.248 1.00 22.54 H ATOM 247 HH2 TRP A 17 13.131 -0.416 1.875 1.00 63.22 H ATOM 248 N ALA A 18 6.104 2.570 7.090 1.00 52.13 N ATOM 249 CA ALA A 18 5.358 3.113 8.225 1.00 44.01 C ATOM 250 C ALA A 18 4.366 2.069 8.679 1.00 41.23 C ATOM 251 O ALA A 18 3.894 1.331 7.829 1.00 73.10 O ATOM 252 CB ALA A 18 4.587 4.396 7.820 1.00 42.30 C ATOM 253 H ALA A 18 5.620 2.494 6.219 1.00 43.10 H ATOM 254 HA ALA A 18 6.034 3.387 9.053 1.00 3.04 H ATOM 255 HB1 ALA A 18 5.293 5.162 7.463 1.00 4.50 H ATOM 256 HB2 ALA A 18 3.872 4.173 7.013 1.00 31.34 H ATOM 257 HB3 ALA A 18 4.031 4.799 8.681 1.00 70.30 H ATOM 258 N CYS A 19 4.042 1.997 9.993 1.00 52.13 N ATOM 259 CA CYS A 19 3.101 0.988 10.477 1.00 52.54 C ATOM 260 C CYS A 19 2.308 1.561 11.616 1.00 0.00 C ATOM 261 O CYS A 19 2.331 1.014 12.717 1.00 0.00 O ATOM 262 CB CYS A 19 3.860 -0.302 10.894 1.00 11.55 C ATOM 263 SG CYS A 19 4.716 -1.037 9.458 1.00 62.04 S ATOM 264 OXT CYS A 19 1.579 2.663 11.433 1.00 0.00 O ATOM 265 H CYS A 19 4.461 2.609 10.666 1.00 51.24 H ATOM 266 HA CYS A 19 2.355 0.757 9.702 1.00 2.04 H ATOM 267 HB2 CYS A 19 4.618 -0.041 11.646 1.00 41.41 H ATOM 268 HB3 CYS A 19 3.172 -1.046 11.323 1.00 11.32 H ATOM 269 HXT CYS A 19 1.141 2.888 12.257 1.00 0.00 H TER 270 CYS A 19 ENDMDL MODEL 12 ATOM 1 N GLY A 1 1.755 0.700 -0.329 1.00 52.13 N ATOM 2 CA GLY A 1 1.261 -0.638 -0.634 1.00 25.35 C ATOM 3 C GLY A 1 2.185 -1.558 -1.400 1.00 64.44 C ATOM 4 O GLY A 1 2.213 -1.466 -2.618 1.00 24.33 O ATOM 5 H1 GLY A 1 2.531 1.067 -0.850 1.00 1.10 H ATOM 6 HA2 GLY A 1 0.971 -1.145 0.298 1.00 44.40 H ATOM 7 HA3 GLY A 1 0.343 -0.535 -1.235 1.00 54.22 H ATOM 8 N LEU A 2 2.898 -2.477 -0.702 1.00 33.00 N ATOM 9 CA LEU A 2 3.512 -3.639 -1.352 1.00 35.41 C ATOM 10 C LEU A 2 2.746 -4.833 -0.799 1.00 61.12 C ATOM 11 O LEU A 2 2.231 -4.670 0.293 1.00 12.12 O ATOM 12 CB LEU A 2 5.022 -3.798 -0.987 1.00 11.32 C ATOM 13 CG LEU A 2 5.777 -2.492 -0.601 1.00 22.23 C ATOM 14 CD1 LEU A 2 7.241 -2.822 -0.191 1.00 22.54 C ATOM 15 CD2 LEU A 2 5.783 -1.439 -1.738 1.00 20.52 C ATOM 16 H LEU A 2 2.919 -2.463 0.298 1.00 34.41 H ATOM 17 HA LEU A 2 3.398 -3.586 -2.445 1.00 14.23 H ATOM 18 HB2 LEU A 2 5.094 -4.453 -0.104 1.00 62.34 H ATOM 19 HB3 LEU A 2 5.551 -4.288 -1.819 1.00 43.11 H ATOM 20 HG LEU A 2 5.290 -2.043 0.279 1.00 52.13 H ATOM 21 HD11 LEU A 2 7.757 -1.912 0.151 1.00 10.21 H ATOM 22 HD12 LEU A 2 7.798 -3.243 -1.042 1.00 25.21 H ATOM 23 HD13 LEU A 2 7.258 -3.553 0.632 1.00 32.33 H ATOM 24 HD21 LEU A 2 6.277 -1.842 -2.636 1.00 71.34 H ATOM 25 HD22 LEU A 2 6.327 -0.540 -1.405 1.00 22.04 H ATOM 26 HD23 LEU A 2 4.761 -1.139 -2.001 1.00 23.41 H ATOM 27 N PRO A 3 2.607 -6.042 -1.396 1.00 13.03 N ATOM 28 CA PRO A 3 1.906 -7.124 -0.701 1.00 73.12 C ATOM 29 C PRO A 3 2.770 -7.772 0.365 1.00 54.15 C ATOM 30 O PRO A 3 3.017 -8.963 0.278 1.00 65.32 O ATOM 31 CB PRO A 3 1.565 -8.012 -1.925 1.00 34.02 C ATOM 32 CG PRO A 3 2.779 -7.809 -2.858 1.00 43.23 C ATOM 33 CD PRO A 3 3.088 -6.296 -2.745 1.00 62.31 C ATOM 34 HA PRO A 3 0.972 -6.819 -0.204 1.00 31.44 H ATOM 35 HB2 PRO A 3 1.377 -9.066 -1.666 1.00 43.45 H ATOM 36 HB3 PRO A 3 0.673 -7.608 -2.432 1.00 4.53 H ATOM 37 HG2 PRO A 3 3.618 -8.384 -2.444 1.00 70.12 H ATOM 38 HG3 PRO A 3 2.594 -8.141 -3.892 1.00 0.20 H ATOM 39 HD2 PRO A 3 4.160 -6.083 -2.881 1.00 14.20 H ATOM 40 HD3 PRO A 3 2.485 -5.723 -3.469 1.00 10.51 H ATOM 41 N TRP A 4 3.209 -6.999 1.391 1.00 73.52 N ATOM 42 CA TRP A 4 4.004 -7.550 2.495 1.00 5.31 C ATOM 43 C TRP A 4 4.394 -6.412 3.430 1.00 33.21 C ATOM 44 O TRP A 4 5.521 -5.948 3.366 1.00 62.43 O ATOM 45 CB TRP A 4 5.235 -8.384 2.014 1.00 52.31 C ATOM 46 CG TRP A 4 5.833 -7.917 0.708 1.00 23.34 C ATOM 47 CD1 TRP A 4 6.477 -6.763 0.468 1.00 54.14 C ATOM 48 CD2 TRP A 4 5.827 -8.686 -0.594 1.00 54.14 C ATOM 49 NE1 TRP A 4 6.828 -6.706 -0.789 1.00 54.34 N ATOM 50 CE2 TRP A 4 6.445 -7.807 -1.464 1.00 65.43 C ATOM 51 CE3 TRP A 4 5.387 -9.941 -1.011 1.00 63.24 C ATOM 52 CZ2 TRP A 4 6.603 -8.102 -2.819 1.00 33.32 C ATOM 53 CZ3 TRP A 4 5.552 -10.261 -2.368 1.00 72.54 C ATOM 54 CH2 TRP A 4 6.141 -9.349 -3.259 1.00 12.43 C ATOM 55 H TRP A 4 2.946 -6.035 1.444 1.00 11.24 H ATOM 56 HA TRP A 4 3.359 -8.224 3.083 1.00 22.21 H ATOM 57 HB2 TRP A 4 6.022 -8.389 2.785 1.00 3.02 H ATOM 58 HB3 TRP A 4 4.936 -9.434 1.869 1.00 14.24 H ATOM 59 HD1 TRP A 4 6.683 -5.983 1.200 1.00 54.13 H ATOM 60 HE1 TRP A 4 7.343 -5.919 -1.212 1.00 34.04 H ATOM 61 HE3 TRP A 4 4.935 -10.647 -0.322 1.00 55.02 H ATOM 62 HZ2 TRP A 4 7.063 -7.393 -3.500 1.00 22.03 H ATOM 63 HZ3 TRP A 4 5.217 -11.226 -2.734 1.00 51.20 H ATOM 64 HH2 TRP A 4 6.239 -9.615 -4.307 1.00 60.31 H ATOM 65 N GLY A 5 3.479 -5.931 4.312 1.00 74.35 N ATOM 66 CA GLY A 5 3.825 -4.786 5.159 1.00 21.24 C ATOM 67 C GLY A 5 2.740 -4.391 6.147 1.00 72.24 C ATOM 68 O GLY A 5 2.337 -5.243 6.921 1.00 14.52 O ATOM 69 H GLY A 5 2.564 -6.331 4.387 1.00 64.33 H ATOM 70 HA2 GLY A 5 4.716 -5.034 5.757 1.00 10.32 H ATOM 71 HA3 GLY A 5 4.088 -3.945 4.499 1.00 44.12 H ATOM 72 N CYS A 6 2.268 -3.117 6.145 1.00 73.11 N ATOM 73 CA CYS A 6 1.315 -2.620 7.142 1.00 11.11 C ATOM 74 C CYS A 6 0.290 -1.710 6.490 1.00 64.54 C ATOM 75 O CYS A 6 0.622 -1.197 5.434 1.00 51.34 O ATOM 76 CB CYS A 6 2.107 -1.710 8.115 1.00 34.11 C ATOM 77 SG CYS A 6 3.490 -2.579 8.903 1.00 31.54 S ATOM 78 H CYS A 6 2.608 -2.446 5.492 1.00 74.15 H ATOM 79 HA CYS A 6 0.828 -3.446 7.683 1.00 2.11 H ATOM 80 HB2 CYS A 6 2.518 -0.857 7.558 1.00 74.14 H ATOM 81 HB3 CYS A 6 1.469 -1.319 8.917 1.00 30.20 H ATOM 82 N PRO A 7 -0.924 -1.441 7.042 1.00 14.14 N ATOM 83 CA PRO A 7 -1.829 -0.504 6.384 1.00 22.42 C ATOM 84 C PRO A 7 -1.306 0.917 6.472 1.00 75.11 C ATOM 85 O PRO A 7 -1.188 1.420 7.578 1.00 30.23 O ATOM 86 CB PRO A 7 -3.105 -0.708 7.245 1.00 44.13 C ATOM 87 CG PRO A 7 -2.571 -1.145 8.628 1.00 31.23 C ATOM 88 CD PRO A 7 -1.394 -2.079 8.267 1.00 50.15 C ATOM 89 HA PRO A 7 -2.032 -0.796 5.341 1.00 1.51 H ATOM 90 HB2 PRO A 7 -3.744 0.189 7.293 1.00 11.01 H ATOM 91 HB3 PRO A 7 -3.699 -1.543 6.836 1.00 30.11 H ATOM 92 HG2 PRO A 7 -2.191 -0.266 9.174 1.00 2.54 H ATOM 93 HG3 PRO A 7 -3.334 -1.640 9.250 1.00 1.12 H ATOM 94 HD2 PRO A 7 -0.677 -2.123 9.097 1.00 75.53 H ATOM 95 HD3 PRO A 7 -1.765 -3.090 8.042 1.00 61.52 H ATOM 96 N SER A 8 -0.997 1.586 5.333 1.00 44.45 N ATOM 97 CA SER A 8 -0.507 2.967 5.393 1.00 54.41 C ATOM 98 C SER A 8 -0.452 3.609 4.015 1.00 13.13 C ATOM 99 O SER A 8 -1.106 4.619 3.805 1.00 1.24 O ATOM 100 CB SER A 8 0.897 3.035 6.056 1.00 33.34 C ATOM 101 OG SER A 8 1.797 2.095 5.454 1.00 21.11 O ATOM 102 H SER A 8 -1.096 1.151 4.435 1.00 44.24 H ATOM 103 HA SER A 8 -1.207 3.561 6.006 1.00 44.40 H ATOM 104 HB2 SER A 8 1.312 4.047 5.923 1.00 2.14 H ATOM 105 HB3 SER A 8 0.844 2.837 7.140 1.00 42.43 H ATOM 106 HG SER A 8 1.535 1.190 5.596 1.00 74.53 H ATOM 107 N ASP A 9 0.325 3.044 3.060 1.00 54.24 N ATOM 108 CA ASP A 9 0.387 3.607 1.702 1.00 4.14 C ATOM 109 C ASP A 9 -0.963 3.446 1.028 1.00 32.44 C ATOM 110 O ASP A 9 -1.893 3.000 1.683 1.00 32.33 O ATOM 111 CB ASP A 9 1.477 2.883 0.848 1.00 34.31 C ATOM 112 CG ASP A 9 1.086 1.441 0.590 1.00 0.45 C ATOM 113 OD1 ASP A 9 0.158 0.972 1.232 1.00 15.41 O ATOM 114 H ASP A 9 0.846 2.217 3.270 1.00 15.55 H ATOM 115 HA ASP A 9 0.637 4.678 1.763 1.00 72.10 H ATOM 116 HB2 ASP A 9 1.636 3.377 -0.121 1.00 30.31 H ATOM 117 HB3 ASP A 9 2.436 2.952 1.378 1.00 14.01 H ATOM 118 N ILE A 10 -1.070 3.780 -0.282 1.00 43.12 N ATOM 119 CA ILE A 10 -2.254 3.457 -1.083 1.00 51.23 C ATOM 120 C ILE A 10 -2.981 2.206 -0.607 1.00 62.54 C ATOM 121 O ILE A 10 -2.317 1.296 -0.135 1.00 70.54 O ATOM 122 CB ILE A 10 -1.866 3.225 -2.583 1.00 32.34 C ATOM 123 CG1 ILE A 10 -0.618 2.295 -2.707 1.00 43.32 C ATOM 124 CG2 ILE A 10 -1.653 4.569 -3.340 1.00 54.22 C ATOM 125 CD1 ILE A 10 -0.566 1.503 -4.042 1.00 43.43 C ATOM 126 H ILE A 10 -0.342 4.294 -0.728 1.00 33.30 H ATOM 127 HA ILE A 10 -2.922 4.326 -0.991 1.00 13.10 H ATOM 128 HB ILE A 10 -2.711 2.724 -3.083 1.00 24.14 H ATOM 129 HG12 ILE A 10 0.309 2.882 -2.600 1.00 61.54 H ATOM 130 HG13 ILE A 10 -0.632 1.552 -1.898 1.00 3.30 H ATOM 131 HG21 ILE A 10 -0.820 5.148 -2.913 1.00 71.41 H ATOM 132 HG22 ILE A 10 -1.432 4.387 -4.403 1.00 54.12 H ATOM 133 HG23 ILE A 10 -2.566 5.183 -3.285 1.00 53.12 H ATOM 134 HD11 ILE A 10 -1.448 0.849 -4.137 1.00 74.30 H ATOM 135 HD12 ILE A 10 -0.531 2.179 -4.909 1.00 12.11 H ATOM 136 HD13 ILE A 10 0.335 0.868 -4.059 1.00 44.02 H ATOM 137 N PRO A 11 -4.330 2.076 -0.708 1.00 21.23 N ATOM 138 CA PRO A 11 -4.989 0.886 -0.178 1.00 31.12 C ATOM 139 C PRO A 11 -4.780 -0.362 -1.012 1.00 43.20 C ATOM 140 O PRO A 11 -5.285 -1.398 -0.607 1.00 11.43 O ATOM 141 CB PRO A 11 -6.464 1.359 -0.236 1.00 62.23 C ATOM 142 CG PRO A 11 -6.490 2.301 -1.460 1.00 62.42 C ATOM 143 CD PRO A 11 -5.178 3.103 -1.304 1.00 60.31 C ATOM 144 HA PRO A 11 -4.688 0.682 0.862 1.00 4.22 H ATOM 145 HB2 PRO A 11 -7.188 0.532 -0.316 1.00 53.54 H ATOM 146 HB3 PRO A 11 -6.699 1.953 0.664 1.00 0.21 H ATOM 147 HG2 PRO A 11 -6.448 1.691 -2.378 1.00 71.15 H ATOM 148 HG3 PRO A 11 -7.385 2.943 -1.492 1.00 20.44 H ATOM 149 HD2 PRO A 11 -4.839 3.489 -2.278 1.00 31.45 H ATOM 150 HD3 PRO A 11 -5.320 3.935 -0.594 1.00 73.15 H ATOM 151 N GLY A 12 -4.061 -0.320 -2.159 1.00 5.25 N ATOM 152 CA GLY A 12 -3.874 -1.536 -2.947 1.00 31.13 C ATOM 153 C GLY A 12 -3.301 -2.668 -2.126 1.00 3.45 C ATOM 154 O GLY A 12 -3.742 -3.793 -2.304 1.00 5.32 O ATOM 155 H GLY A 12 -3.666 0.527 -2.513 1.00 74.25 H ATOM 156 HA2 GLY A 12 -4.847 -1.833 -3.368 1.00 15.34 H ATOM 157 HA3 GLY A 12 -3.179 -1.360 -3.785 1.00 25.34 H ATOM 158 N TRP A 13 -2.313 -2.391 -1.241 1.00 3.12 N ATOM 159 CA TRP A 13 -1.663 -3.467 -0.492 1.00 44.42 C ATOM 160 C TRP A 13 -1.223 -2.971 0.879 1.00 41.31 C ATOM 161 O TRP A 13 -2.063 -2.368 1.528 1.00 73.14 O ATOM 162 CB TRP A 13 -0.530 -4.028 -1.392 1.00 75.13 C ATOM 163 CG TRP A 13 -0.964 -4.550 -2.732 1.00 22.22 C ATOM 164 CD1 TRP A 13 -0.755 -3.995 -3.938 1.00 33.03 C ATOM 165 CD2 TRP A 13 -1.705 -5.842 -2.965 1.00 32.31 C ATOM 166 NE1 TRP A 13 -1.254 -4.770 -4.866 1.00 10.25 N ATOM 167 CE2 TRP A 13 -1.817 -5.878 -4.341 1.00 25.51 C ATOM 168 CE3 TRP A 13 -2.211 -6.851 -2.148 1.00 75.34 C ATOM 169 CZ2 TRP A 13 -2.430 -6.945 -4.996 1.00 63.24 C ATOM 170 CZ3 TRP A 13 -2.839 -7.927 -2.793 1.00 73.44 C ATOM 171 CH2 TRP A 13 -2.941 -7.975 -4.194 1.00 35.23 C ATOM 172 H TRP A 13 -1.970 -1.458 -1.124 1.00 13.44 H ATOM 173 HA TRP A 13 -2.379 -4.280 -0.289 1.00 54.21 H ATOM 174 HB2 TRP A 13 0.230 -3.252 -1.549 1.00 4.32 H ATOM 175 HB3 TRP A 13 -0.069 -4.895 -0.909 1.00 25.43 H ATOM 176 HD1 TRP A 13 -0.242 -3.047 -4.111 1.00 5.54 H ATOM 177 HE1 TRP A 13 -1.214 -4.565 -5.876 1.00 74.21 H ATOM 178 HE3 TRP A 13 -2.120 -6.804 -1.068 1.00 73.51 H ATOM 179 HZ2 TRP A 13 -2.505 -6.975 -6.079 1.00 71.13 H ATOM 180 HZ3 TRP A 13 -3.252 -8.735 -2.198 1.00 70.25 H ATOM 181 HH2 TRP A 13 -3.425 -8.825 -4.664 1.00 31.25 H ATOM 182 N ASN A 14 0.030 -3.198 1.360 1.00 30.31 N ATOM 183 CA ASN A 14 0.416 -2.837 2.730 1.00 43.32 C ATOM 184 C ASN A 14 1.883 -2.429 2.724 1.00 62.13 C ATOM 185 O ASN A 14 2.664 -3.209 2.205 1.00 22.13 O ATOM 186 CB ASN A 14 0.233 -4.118 3.601 1.00 41.25 C ATOM 187 CG ASN A 14 -0.787 -4.047 4.713 1.00 54.21 C ATOM 188 OD1 ASN A 14 -1.677 -3.213 4.674 1.00 71.03 O ATOM 189 ND2 ASN A 14 -0.685 -4.940 5.723 1.00 31.22 N ATOM 190 H ASN A 14 0.722 -3.691 0.838 1.00 13.03 H ATOM 191 HA ASN A 14 -0.191 -1.999 3.101 1.00 15.44 H ATOM 192 HB2 ASN A 14 -0.067 -4.964 2.963 1.00 53.24 H ATOM 193 HB3 ASN A 14 1.198 -4.387 4.043 1.00 2.25 H ATOM 194 HD21 ASN A 14 0.043 -5.627 5.742 1.00 73.03 H ATOM 195 HD22 ASN A 14 -1.352 -4.931 6.466 1.00 41.41 H ATOM 196 N THR A 15 2.312 -1.261 3.263 1.00 1.44 N ATOM 197 CA THR A 15 3.713 -0.830 3.116 1.00 64.52 C ATOM 198 C THR A 15 4.469 -1.071 4.407 1.00 25.23 C ATOM 199 O THR A 15 3.888 -0.741 5.429 1.00 52.42 O ATOM 200 CB THR A 15 3.769 0.648 2.618 1.00 74.42 C ATOM 201 OG1 THR A 15 4.318 0.768 1.291 1.00 65.32 O ATOM 202 CG2 THR A 15 4.461 1.654 3.571 1.00 41.10 C ATOM 203 H THR A 15 1.680 -0.676 3.774 1.00 73.02 H ATOM 204 HA THR A 15 4.175 -1.416 2.316 1.00 54.44 H ATOM 205 HB THR A 15 2.734 0.978 2.523 1.00 34.42 H ATOM 206 HG1 THR A 15 5.243 0.543 1.261 1.00 42.21 H ATOM 207 HG21 THR A 15 4.020 1.619 4.573 1.00 51.04 H ATOM 208 HG22 THR A 15 4.359 2.677 3.181 1.00 2.13 H ATOM 209 HG23 THR A 15 5.527 1.426 3.650 1.00 1.34 H ATOM 210 N PRO A 16 5.709 -1.630 4.465 1.00 71.03 N ATOM 211 CA PRO A 16 6.344 -1.864 5.758 1.00 43.23 C ATOM 212 C PRO A 16 6.960 -0.609 6.340 1.00 11.13 C ATOM 213 O PRO A 16 7.084 -0.542 7.552 1.00 71.22 O ATOM 214 CB PRO A 16 7.432 -2.884 5.333 1.00 53.44 C ATOM 215 CG PRO A 16 7.795 -2.490 3.884 1.00 55.33 C ATOM 216 CD PRO A 16 6.433 -2.072 3.278 1.00 35.44 C ATOM 217 HA PRO A 16 5.652 -2.325 6.483 1.00 35.34 H ATOM 218 HB2 PRO A 16 8.303 -2.895 6.008 1.00 14.54 H ATOM 219 HB3 PRO A 16 6.993 -3.895 5.310 1.00 14.41 H ATOM 220 HG2 PRO A 16 8.496 -1.641 3.906 1.00 72.04 H ATOM 221 HG3 PRO A 16 8.271 -3.313 3.326 1.00 35.24 H ATOM 222 HD2 PRO A 16 6.562 -1.282 2.521 1.00 63.34 H ATOM 223 HD3 PRO A 16 5.935 -2.953 2.839 1.00 44.42 H ATOM 224 N TRP A 17 7.374 0.380 5.513 1.00 12.23 N ATOM 225 CA TRP A 17 8.080 1.554 6.031 1.00 31.23 C ATOM 226 C TRP A 17 7.360 2.146 7.226 1.00 0.31 C ATOM 227 O TRP A 17 7.954 2.208 8.291 1.00 34.12 O ATOM 228 CB TRP A 17 8.304 2.657 4.954 1.00 72.43 C ATOM 229 CG TRP A 17 8.835 2.080 3.666 1.00 31.25 C ATOM 230 CD1 TRP A 17 8.224 2.070 2.469 1.00 70.52 C ATOM 231 CD2 TRP A 17 10.161 1.384 3.483 1.00 35.24 C ATOM 232 NE1 TRP A 17 8.973 1.449 1.597 1.00 60.13 N ATOM 233 CE2 TRP A 17 10.124 1.016 2.151 1.00 25.12 C ATOM 234 CE3 TRP A 17 11.254 1.097 4.298 1.00 72.13 C ATOM 235 CZ2 TRP A 17 11.165 0.308 1.555 1.00 5.31 C ATOM 236 CZ3 TRP A 17 12.309 0.384 3.715 1.00 43.42 C ATOM 237 CH2 TRP A 17 12.266 -0.007 2.366 1.00 12.13 C ATOM 238 H TRP A 17 7.275 0.286 4.528 1.00 73.31 H ATOM 239 HA TRP A 17 9.073 1.201 6.352 1.00 12.51 H ATOM 240 HB2 TRP A 17 7.355 3.168 4.732 1.00 52.23 H ATOM 241 HB3 TRP A 17 9.014 3.409 5.331 1.00 21.33 H ATOM 242 HD1 TRP A 17 7.249 2.507 2.249 1.00 74.44 H ATOM 243 HE1 TRP A 17 8.717 1.304 0.608 1.00 21.14 H ATOM 244 HE3 TRP A 17 11.289 1.414 5.335 1.00 42.13 H ATOM 245 HZ2 TRP A 17 11.123 0.014 0.511 1.00 54.41 H ATOM 246 HZ3 TRP A 17 13.176 0.130 4.316 1.00 75.45 H ATOM 247 HH2 TRP A 17 13.097 -0.561 1.942 1.00 21.54 H ATOM 248 N ALA A 18 6.085 2.573 7.065 1.00 2.55 N ATOM 249 CA ALA A 18 5.320 3.122 8.184 1.00 71.02 C ATOM 250 C ALA A 18 4.355 2.062 8.658 1.00 71.40 C ATOM 251 O ALA A 18 3.890 1.307 7.820 1.00 25.20 O ATOM 252 CB ALA A 18 4.515 4.372 7.744 1.00 12.10 C ATOM 253 H ALA A 18 5.614 2.477 6.189 1.00 52.04 H ATOM 254 HA ALA A 18 5.985 3.436 9.006 1.00 32.10 H ATOM 255 HB1 ALA A 18 3.941 4.779 8.592 1.00 34.03 H ATOM 256 HB2 ALA A 18 5.201 5.150 7.374 1.00 55.23 H ATOM 257 HB3 ALA A 18 3.814 4.108 6.938 1.00 1.53 H ATOM 258 N CYS A 19 4.043 1.995 9.975 1.00 25.32 N ATOM 259 CA CYS A 19 3.125 0.972 10.475 1.00 75.44 C ATOM 260 C CYS A 19 2.373 1.486 11.668 1.00 0.00 C ATOM 261 O CYS A 19 2.600 2.616 12.098 1.00 0.00 O ATOM 262 CB CYS A 19 3.901 -0.308 10.882 1.00 45.34 C ATOM 263 SG CYS A 19 4.722 -1.052 9.435 1.00 42.23 S ATOM 264 OXT CYS A 19 1.458 0.718 12.262 1.00 0.00 O ATOM 265 H CYS A 19 4.452 2.623 10.641 1.00 51.41 H ATOM 266 HA CYS A 19 2.357 0.740 9.723 1.00 3.14 H ATOM 267 HB2 CYS A 19 4.676 -0.037 11.615 1.00 13.21 H ATOM 268 HB3 CYS A 19 3.225 -1.048 11.339 1.00 2.44 H ATOM 269 HXT CYS A 19 1.078 1.198 13.001 1.00 0.00 H TER 270 CYS A 19 ENDMDL MODEL 13 ATOM 1 N GLY A 1 1.776 0.678 -0.346 1.00 64.44 N ATOM 2 CA GLY A 1 1.269 -0.652 -0.670 1.00 54.04 C ATOM 3 C GLY A 1 2.194 -1.578 -1.427 1.00 20.53 C ATOM 4 O GLY A 1 2.240 -1.486 -2.644 1.00 14.44 O ATOM 5 H1 GLY A 1 2.563 1.040 -0.853 1.00 12.54 H ATOM 6 HA2 GLY A 1 0.953 -1.163 0.251 1.00 13.22 H ATOM 7 HA3 GLY A 1 0.367 -0.534 -1.290 1.00 21.21 H ATOM 8 N LEU A 2 2.891 -2.503 -0.722 1.00 24.54 N ATOM 9 CA LEU A 2 3.503 -3.673 -1.362 1.00 4.32 C ATOM 10 C LEU A 2 2.734 -4.861 -0.801 1.00 54.03 C ATOM 11 O LEU A 2 2.226 -4.691 0.293 1.00 75.45 O ATOM 12 CB LEU A 2 5.014 -3.833 -1.001 1.00 34.10 C ATOM 13 CG LEU A 2 5.766 -2.529 -0.598 1.00 24.13 C ATOM 14 CD1 LEU A 2 7.223 -2.862 -0.169 1.00 22.25 C ATOM 15 CD2 LEU A 2 5.792 -1.469 -1.728 1.00 51.33 C ATOM 16 H LEU A 2 2.899 -2.488 0.277 1.00 43.43 H ATOM 17 HA LEU A 2 3.386 -3.629 -2.456 1.00 45.24 H ATOM 18 HB2 LEU A 2 5.087 -4.502 -0.128 1.00 35.15 H ATOM 19 HB3 LEU A 2 5.544 -4.314 -1.839 1.00 5.23 H ATOM 20 HG LEU A 2 5.267 -2.081 0.275 1.00 22.43 H ATOM 21 HD11 LEU A 2 7.227 -3.592 0.654 1.00 24.35 H ATOM 22 HD12 LEU A 2 7.738 -1.953 0.178 1.00 23.12 H ATOM 23 HD13 LEU A 2 7.792 -3.285 -1.012 1.00 2.32 H ATOM 24 HD21 LEU A 2 6.316 -0.564 -1.380 1.00 61.50 H ATOM 25 HD22 LEU A 2 4.775 -1.180 -2.020 1.00 42.33 H ATOM 26 HD23 LEU A 2 6.315 -1.865 -2.612 1.00 52.33 H ATOM 27 N PRO A 3 2.583 -6.070 -1.394 1.00 74.24 N ATOM 28 CA PRO A 3 1.881 -7.145 -0.690 1.00 60.02 C ATOM 29 C PRO A 3 2.747 -7.794 0.373 1.00 2.35 C ATOM 30 O PRO A 3 2.992 -8.986 0.288 1.00 4.15 O ATOM 31 CB PRO A 3 1.528 -8.036 -1.907 1.00 44.04 C ATOM 32 CG PRO A 3 2.737 -7.843 -2.850 1.00 25.15 C ATOM 33 CD PRO A 3 3.054 -6.332 -2.745 1.00 44.05 C ATOM 34 HA PRO A 3 0.952 -6.832 -0.188 1.00 0.13 H ATOM 35 HB2 PRO A 3 1.336 -9.089 -1.643 1.00 33.11 H ATOM 36 HB3 PRO A 3 0.633 -7.632 -2.411 1.00 10.45 H ATOM 37 HG2 PRO A 3 3.576 -8.420 -2.440 1.00 21.05 H ATOM 38 HG3 PRO A 3 2.542 -8.179 -3.882 1.00 53.22 H ATOM 39 HD2 PRO A 3 4.125 -6.122 -2.888 1.00 34.21 H ATOM 40 HD3 PRO A 3 2.448 -5.759 -3.466 1.00 71.24 H ATOM 41 N TRP A 4 3.193 -7.020 1.396 1.00 12.21 N ATOM 42 CA TRP A 4 3.990 -7.572 2.498 1.00 3.14 C ATOM 43 C TRP A 4 4.382 -6.435 3.434 1.00 65.33 C ATOM 44 O TRP A 4 5.509 -5.971 3.367 1.00 51.12 O ATOM 45 CB TRP A 4 5.220 -8.407 2.016 1.00 40.24 C ATOM 46 CG TRP A 4 5.817 -7.941 0.709 1.00 53.12 C ATOM 47 CD1 TRP A 4 6.467 -6.788 0.473 1.00 62.20 C ATOM 48 CD2 TRP A 4 5.806 -8.704 -0.593 1.00 61.13 C ATOM 49 NE1 TRP A 4 6.816 -6.730 -0.787 1.00 1.10 N ATOM 50 CE2 TRP A 4 6.425 -7.826 -1.464 1.00 34.11 C ATOM 51 CE3 TRP A 4 5.359 -9.959 -1.016 1.00 44.04 C ATOM 52 CZ2 TRP A 4 6.579 -8.117 -2.819 1.00 60.02 C ATOM 53 CZ3 TRP A 4 5.521 -10.274 -2.372 1.00 61.41 C ATOM 54 CH2 TRP A 4 6.110 -9.363 -3.263 1.00 73.01 C ATOM 55 H TRP A 4 2.934 -6.055 1.448 1.00 72.11 H ATOM 56 HA TRP A 4 3.345 -8.245 3.089 1.00 70.25 H ATOM 57 HB2 TRP A 4 6.008 -8.414 2.786 1.00 53.32 H ATOM 58 HB3 TRP A 4 4.919 -9.456 1.870 1.00 14.45 H ATOM 59 HD1 TRP A 4 6.678 -6.013 1.206 1.00 21.15 H ATOM 60 HE1 TRP A 4 7.334 -5.944 -1.207 1.00 34.01 H ATOM 61 HE3 TRP A 4 4.907 -10.664 -0.326 1.00 65.43 H ATOM 62 HZ2 TRP A 4 7.039 -7.409 -3.500 1.00 34.20 H ATOM 63 HZ3 TRP A 4 5.181 -11.238 -2.740 1.00 54.25 H ATOM 64 HH2 TRP A 4 6.204 -9.625 -4.312 1.00 64.32 H ATOM 65 N GLY A 5 3.469 -5.951 4.316 1.00 75.11 N ATOM 66 CA GLY A 5 3.815 -4.803 5.159 1.00 12.41 C ATOM 67 C GLY A 5 2.736 -4.408 6.153 1.00 23.31 C ATOM 68 O GLY A 5 2.337 -5.262 6.929 1.00 63.31 O ATOM 69 H GLY A 5 2.552 -6.348 4.391 1.00 25.55 H ATOM 70 HA2 GLY A 5 4.711 -5.044 5.753 1.00 31.51 H ATOM 71 HA3 GLY A 5 4.071 -3.967 4.492 1.00 43.52 H ATOM 72 N CYS A 6 2.267 -3.133 6.155 1.00 3.33 N ATOM 73 CA CYS A 6 1.320 -2.634 7.157 1.00 32.35 C ATOM 74 C CYS A 6 0.297 -1.722 6.508 1.00 41.44 C ATOM 75 O CYS A 6 0.623 -1.215 5.446 1.00 64.15 O ATOM 76 CB CYS A 6 2.115 -1.721 8.125 1.00 73.23 C ATOM 77 SG CYS A 6 3.494 -2.586 8.925 1.00 71.42 S ATOM 78 H CYS A 6 2.604 -2.464 5.500 1.00 42.23 H ATOM 79 HA CYS A 6 0.833 -3.459 7.700 1.00 20.30 H ATOM 80 HB2 CYS A 6 2.530 -0.871 7.565 1.00 33.04 H ATOM 81 HB3 CYS A 6 1.478 -1.323 8.925 1.00 24.22 H ATOM 82 N PRO A 7 -0.912 -1.445 7.068 1.00 5.00 N ATOM 83 CA PRO A 7 -1.824 -0.510 6.408 1.00 14.14 C ATOM 84 C PRO A 7 -1.331 0.921 6.491 1.00 14.42 C ATOM 85 O PRO A 7 -1.405 1.496 7.566 1.00 31.34 O ATOM 86 CB PRO A 7 -3.099 -0.736 7.267 1.00 64.34 C ATOM 87 CG PRO A 7 -2.563 -1.160 8.653 1.00 55.02 C ATOM 88 CD PRO A 7 -1.378 -2.083 8.292 1.00 33.23 C ATOM 89 HA PRO A 7 -2.026 -0.794 5.364 1.00 11.45 H ATOM 90 HB2 PRO A 7 -3.757 0.147 7.309 1.00 33.54 H ATOM 91 HB3 PRO A 7 -3.674 -1.584 6.857 1.00 31.22 H ATOM 92 HG2 PRO A 7 -2.190 -0.274 9.193 1.00 44.32 H ATOM 93 HG3 PRO A 7 -3.321 -1.657 9.280 1.00 64.21 H ATOM 94 HD2 PRO A 7 -0.661 -2.120 9.125 1.00 1.10 H ATOM 95 HD3 PRO A 7 -1.740 -3.099 8.070 1.00 42.44 H ATOM 96 N SER A 8 -0.852 1.531 5.376 1.00 71.51 N ATOM 97 CA SER A 8 -0.476 2.953 5.408 1.00 4.32 C ATOM 98 C SER A 8 -0.388 3.592 4.027 1.00 43.51 C ATOM 99 O SER A 8 -0.970 4.650 3.841 1.00 21.21 O ATOM 100 CB SER A 8 0.828 3.194 6.220 1.00 50.13 C ATOM 101 OG SER A 8 2.001 2.713 5.549 1.00 53.10 O ATOM 102 H SER A 8 -0.787 1.026 4.516 1.00 3.31 H ATOM 103 HA SER A 8 -1.286 3.480 5.941 1.00 65.25 H ATOM 104 HB2 SER A 8 0.950 4.269 6.438 1.00 43.33 H ATOM 105 HB3 SER A 8 0.779 2.664 7.182 1.00 41.12 H ATOM 106 HG SER A 8 2.217 3.233 4.782 1.00 61.30 H ATOM 107 N ASP A 9 0.321 2.991 3.039 1.00 71.41 N ATOM 108 CA ASP A 9 0.402 3.580 1.695 1.00 71.22 C ATOM 109 C ASP A 9 -0.949 3.446 1.018 1.00 14.22 C ATOM 110 O ASP A 9 -1.891 3.036 1.679 1.00 10.32 O ATOM 111 CB ASP A 9 1.495 2.855 0.845 1.00 10.15 C ATOM 112 CG ASP A 9 1.099 1.418 0.569 1.00 60.12 C ATOM 113 OD1 ASP A 9 0.155 0.954 1.190 1.00 54.01 O ATOM 114 H ASP A 9 0.774 2.117 3.204 1.00 62.11 H ATOM 115 HA ASP A 9 0.665 4.648 1.772 1.00 55.44 H ATOM 116 HB2 ASP A 9 1.668 3.357 -0.116 1.00 64.31 H ATOM 117 HB3 ASP A 9 2.449 2.912 1.387 1.00 24.43 H ATOM 118 N ILE A 10 -1.047 3.763 -0.297 1.00 65.15 N ATOM 119 CA ILE A 10 -2.239 3.458 -1.092 1.00 43.34 C ATOM 120 C ILE A 10 -2.978 2.218 -0.609 1.00 62.35 C ATOM 121 O ILE A 10 -2.322 1.308 -0.126 1.00 13.20 O ATOM 122 CB ILE A 10 -1.863 3.218 -2.594 1.00 21.43 C ATOM 123 CG1 ILE A 10 -0.638 2.259 -2.726 1.00 30.00 C ATOM 124 CG2 ILE A 10 -1.622 4.557 -3.352 1.00 2.44 C ATOM 125 CD1 ILE A 10 -0.596 1.481 -4.069 1.00 55.12 C ATOM 126 H ILE A 10 -0.306 4.252 -0.751 1.00 75.40 H ATOM 127 HA ILE A 10 -2.895 4.335 -0.999 1.00 55.32 H ATOM 128 HB ILE A 10 -2.721 2.738 -3.092 1.00 45.11 H ATOM 129 HG12 ILE A 10 0.303 2.819 -2.605 1.00 53.41 H ATOM 130 HG13 ILE A 10 -0.677 1.505 -1.929 1.00 42.31 H ATOM 131 HG21 ILE A 10 -0.771 5.114 -2.933 1.00 54.32 H ATOM 132 HG22 ILE A 10 -1.416 4.372 -4.417 1.00 4.43 H ATOM 133 HG23 ILE A 10 -2.518 5.195 -3.288 1.00 2.04 H ATOM 134 HD11 ILE A 10 0.285 0.819 -4.088 1.00 32.53 H ATOM 135 HD12 ILE A 10 -1.496 0.856 -4.182 1.00 21.33 H ATOM 136 HD13 ILE A 10 -0.531 2.166 -4.928 1.00 43.25 H ATOM 137 N PRO A 11 -4.328 2.098 -0.711 1.00 20.01 N ATOM 138 CA PRO A 11 -4.995 0.913 -0.182 1.00 62.32 C ATOM 139 C PRO A 11 -4.805 -0.335 -1.021 1.00 25.33 C ATOM 140 O PRO A 11 -5.356 -1.356 -0.640 1.00 34.53 O ATOM 141 CB PRO A 11 -6.465 1.403 -0.228 1.00 62.11 C ATOM 142 CG PRO A 11 -6.489 2.344 -1.452 1.00 21.13 C ATOM 143 CD PRO A 11 -5.168 3.133 -1.306 1.00 3.41 C ATOM 144 HA PRO A 11 -4.691 0.700 0.855 1.00 3.22 H ATOM 145 HB2 PRO A 11 -7.201 0.586 -0.300 1.00 42.14 H ATOM 146 HB3 PRO A 11 -6.684 2.000 0.674 1.00 55.42 H ATOM 147 HG2 PRO A 11 -6.461 1.734 -2.370 1.00 4.11 H ATOM 148 HG3 PRO A 11 -7.377 2.997 -1.479 1.00 11.11 H ATOM 149 HD2 PRO A 11 -4.830 3.513 -2.282 1.00 14.23 H ATOM 150 HD3 PRO A 11 -5.295 3.967 -0.597 1.00 70.32 H ATOM 151 N GLY A 12 -4.053 -0.310 -2.148 1.00 5.11 N ATOM 152 CA GLY A 12 -3.884 -1.529 -2.936 1.00 34.44 C ATOM 153 C GLY A 12 -3.315 -2.663 -2.116 1.00 11.25 C ATOM 154 O GLY A 12 -3.767 -3.785 -2.286 1.00 15.24 O ATOM 155 H GLY A 12 -3.616 0.523 -2.482 1.00 60.14 H ATOM 156 HA2 GLY A 12 -4.862 -1.820 -3.350 1.00 72.42 H ATOM 157 HA3 GLY A 12 -3.194 -1.360 -3.780 1.00 65.05 H ATOM 158 N TRP A 13 -2.315 -2.392 -1.241 1.00 5.54 N ATOM 159 CA TRP A 13 -1.669 -3.469 -0.492 1.00 43.24 C ATOM 160 C TRP A 13 -1.229 -2.973 0.879 1.00 41.33 C ATOM 161 O TRP A 13 -2.069 -2.369 1.527 1.00 75.23 O ATOM 162 CB TRP A 13 -0.538 -4.035 -1.390 1.00 21.10 C ATOM 163 CG TRP A 13 -0.971 -4.555 -2.733 1.00 14.31 C ATOM 164 CD1 TRP A 13 -0.755 -4.000 -3.938 1.00 52.44 C ATOM 165 CD2 TRP A 13 -1.720 -5.841 -2.966 1.00 13.11 C ATOM 166 NE1 TRP A 13 -1.258 -4.774 -4.867 1.00 33.42 N ATOM 167 CE2 TRP A 13 -1.829 -5.877 -4.344 1.00 41.11 C ATOM 168 CE3 TRP A 13 -2.237 -6.847 -2.151 1.00 72.13 C ATOM 169 CZ2 TRP A 13 -2.448 -6.940 -5.001 1.00 42.14 C ATOM 170 CZ3 TRP A 13 -2.870 -7.918 -2.798 1.00 42.41 C ATOM 171 CH2 TRP A 13 -2.969 -7.966 -4.198 1.00 71.35 C ATOM 172 H TRP A 13 -1.962 -1.462 -1.133 1.00 55.01 H ATOM 173 HA TRP A 13 -2.388 -4.281 -0.290 1.00 64.03 H ATOM 174 HB2 TRP A 13 0.225 -3.262 -1.547 1.00 15.32 H ATOM 175 HB3 TRP A 13 -0.080 -4.904 -0.909 1.00 54.40 H ATOM 176 HD1 TRP A 13 -0.236 -3.057 -4.109 1.00 51.15 H ATOM 177 HE1 TRP A 13 -1.213 -4.569 -5.877 1.00 43.22 H ATOM 178 HE3 TRP A 13 -2.149 -6.800 -1.070 1.00 30.10 H ATOM 179 HZ2 TRP A 13 -2.519 -6.971 -6.083 1.00 74.03 H ATOM 180 HZ3 TRP A 13 -3.291 -8.724 -2.204 1.00 32.32 H ATOM 181 HH2 TRP A 13 -3.456 -8.814 -4.671 1.00 35.50 H ATOM 182 N ASN A 14 0.024 -3.203 1.360 1.00 51.25 N ATOM 183 CA ASN A 14 0.409 -2.841 2.729 1.00 0.23 C ATOM 184 C ASN A 14 1.876 -2.435 2.720 1.00 31.12 C ATOM 185 O ASN A 14 2.652 -3.205 2.180 1.00 35.53 O ATOM 186 CB ASN A 14 0.229 -4.121 3.602 1.00 62.04 C ATOM 187 CG ASN A 14 -0.781 -4.045 4.724 1.00 61.10 C ATOM 188 OD1 ASN A 14 -1.668 -3.207 4.692 1.00 23.44 O ATOM 189 ND2 ASN A 14 -0.674 -4.940 5.732 1.00 30.44 N ATOM 190 H ASN A 14 0.715 -3.700 0.837 1.00 1.22 H ATOM 191 HA ASN A 14 -0.196 -1.999 3.101 1.00 33.35 H ATOM 192 HB2 ASN A 14 -0.083 -4.963 2.965 1.00 63.12 H ATOM 193 HB3 ASN A 14 1.198 -4.397 4.032 1.00 30.12 H ATOM 194 HD21 ASN A 14 0.050 -5.631 5.742 1.00 43.15 H ATOM 195 HD22 ASN A 14 -1.334 -4.928 6.481 1.00 43.12 H ATOM 196 N THR A 15 2.314 -1.281 3.279 1.00 1.41 N ATOM 197 CA THR A 15 3.718 -0.859 3.132 1.00 14.42 C ATOM 198 C THR A 15 4.476 -1.123 4.418 1.00 14.30 C ATOM 199 O THR A 15 3.895 -0.816 5.445 1.00 12.01 O ATOM 200 CB THR A 15 3.782 0.629 2.664 1.00 52.33 C ATOM 201 OG1 THR A 15 4.347 0.775 1.345 1.00 34.31 O ATOM 202 CG2 THR A 15 4.469 1.602 3.652 1.00 45.33 C ATOM 203 H THR A 15 1.691 -0.701 3.807 1.00 53.54 H ATOM 204 HA THR A 15 4.174 -1.431 2.319 1.00 40.45 H ATOM 205 HB THR A 15 2.748 0.965 2.565 1.00 12.13 H ATOM 206 HG1 THR A 15 5.270 0.544 1.317 1.00 20.01 H ATOM 207 HG21 THR A 15 5.531 1.364 3.734 1.00 73.11 H ATOM 208 HG22 THR A 15 4.014 1.532 4.647 1.00 23.51 H ATOM 209 HG23 THR A 15 4.376 2.636 3.292 1.00 5.32 H ATOM 210 N PRO A 16 5.721 -1.670 4.467 1.00 31.31 N ATOM 211 CA PRO A 16 6.367 -1.895 5.754 1.00 1.14 C ATOM 212 C PRO A 16 6.973 -0.631 6.328 1.00 44.45 C ATOM 213 O PRO A 16 7.066 -0.544 7.542 1.00 53.23 O ATOM 214 CB PRO A 16 7.455 -2.914 5.327 1.00 33.41 C ATOM 215 CG PRO A 16 7.802 -2.538 3.868 1.00 11.20 C ATOM 216 CD PRO A 16 6.437 -2.110 3.273 1.00 23.42 C ATOM 217 HA PRO A 16 5.682 -2.358 6.487 1.00 25.13 H ATOM 218 HB2 PRO A 16 8.334 -2.916 5.992 1.00 10.01 H ATOM 219 HB3 PRO A 16 7.019 -3.927 5.317 1.00 23.42 H ATOM 220 HG2 PRO A 16 8.516 -1.699 3.873 1.00 72.43 H ATOM 221 HG3 PRO A 16 8.261 -3.372 3.311 1.00 4.34 H ATOM 222 HD2 PRO A 16 6.565 -1.318 2.520 1.00 53.11 H ATOM 223 HD3 PRO A 16 5.930 -2.985 2.835 1.00 74.21 H ATOM 224 N TRP A 17 7.406 0.345 5.494 1.00 10.23 N ATOM 225 CA TRP A 17 8.099 1.531 6.003 1.00 54.32 C ATOM 226 C TRP A 17 7.401 2.117 7.214 1.00 11.22 C ATOM 227 O TRP A 17 8.013 2.167 8.269 1.00 44.25 O ATOM 228 CB TRP A 17 8.282 2.641 4.925 1.00 32.55 C ATOM 229 CG TRP A 17 8.836 2.084 3.638 1.00 64.24 C ATOM 230 CD1 TRP A 17 8.213 2.023 2.447 1.00 35.14 C ATOM 231 CD2 TRP A 17 10.201 1.476 3.449 1.00 71.23 C ATOM 232 NE1 TRP A 17 8.997 1.445 1.574 1.00 24.41 N ATOM 233 CE2 TRP A 17 10.179 1.097 2.118 1.00 21.24 C ATOM 234 CE3 TRP A 17 11.317 1.267 4.258 1.00 1.10 C ATOM 235 CZ2 TRP A 17 11.262 0.460 1.519 1.00 74.33 C ATOM 236 CZ3 TRP A 17 12.416 0.628 3.668 1.00 51.32 C ATOM 237 CH2 TRP A 17 12.390 0.229 2.323 1.00 12.51 C ATOM 238 H TRP A 17 7.336 0.231 4.509 1.00 10.32 H ATOM 239 HA TRP A 17 9.105 1.195 6.303 1.00 43.04 H ATOM 240 HB2 TRP A 17 7.318 3.121 4.704 1.00 53.23 H ATOM 241 HB3 TRP A 17 8.967 3.417 5.301 1.00 30.44 H ATOM 242 HD1 TRP A 17 7.210 2.390 2.233 1.00 12.04 H ATOM 243 HE1 TRP A 17 8.740 1.275 0.589 1.00 14.25 H ATOM 244 HE3 TRP A 17 11.336 1.590 5.293 1.00 30.23 H ATOM 245 HZ2 TRP A 17 11.234 0.156 0.478 1.00 25.33 H ATOM 246 HZ3 TRP A 17 13.304 0.440 4.264 1.00 11.12 H ATOM 247 HH2 TRP A 17 13.254 -0.267 1.894 1.00 50.23 H ATOM 248 N ALA A 18 6.124 2.551 7.080 1.00 60.14 N ATOM 249 CA ALA A 18 5.381 3.097 8.216 1.00 44.33 C ATOM 250 C ALA A 18 4.386 2.056 8.667 1.00 13.34 C ATOM 251 O ALA A 18 3.926 1.309 7.818 1.00 61.23 O ATOM 252 CB ALA A 18 4.616 4.383 7.811 1.00 64.24 C ATOM 253 H ALA A 18 5.635 2.465 6.214 1.00 64.52 H ATOM 254 HA ALA A 18 6.057 3.365 9.045 1.00 15.23 H ATOM 255 HB1 ALA A 18 3.901 4.164 7.003 1.00 44.41 H ATOM 256 HB2 ALA A 18 4.060 4.788 8.672 1.00 34.42 H ATOM 257 HB3 ALA A 18 5.326 5.146 7.457 1.00 61.41 H ATOM 258 N CYS A 19 4.043 1.998 9.976 1.00 73.55 N ATOM 259 CA CYS A 19 3.095 0.993 10.457 1.00 11.23 C ATOM 260 C CYS A 19 2.337 1.545 11.629 1.00 0.00 C ATOM 261 O CYS A 19 1.147 1.833 11.511 1.00 0.00 O ATOM 262 CB CYS A 19 3.841 -0.295 10.896 1.00 35.44 C ATOM 263 SG CYS A 19 4.708 -1.054 9.481 1.00 20.34 S ATOM 264 OXT CYS A 19 2.954 1.723 12.798 1.00 0.00 O ATOM 265 H CYS A 19 4.453 2.617 10.649 1.00 11.12 H ATOM 266 HA CYS A 19 2.359 0.754 9.674 1.00 74.23 H ATOM 267 HB2 CYS A 19 4.593 -0.032 11.655 1.00 45.34 H ATOM 268 HB3 CYS A 19 3.140 -1.025 11.331 1.00 44.05 H ATOM 269 HXT CYS A 19 2.327 2.080 13.431 1.00 0.00 H TER 270 CYS A 19 ENDMDL MODEL 14 ATOM 1 N GLY A 1 1.767 0.689 -0.329 1.00 32.30 N ATOM 2 CA GLY A 1 1.261 -0.643 -0.644 1.00 31.54 C ATOM 3 C GLY A 1 2.184 -1.571 -1.400 1.00 44.22 C ATOM 4 O GLY A 1 2.216 -1.487 -2.618 1.00 35.22 O ATOM 5 H1 GLY A 1 2.550 1.047 -0.844 1.00 33.45 H ATOM 6 HA2 GLY A 1 0.955 -1.143 0.286 1.00 43.00 H ATOM 7 HA3 GLY A 1 0.354 -0.535 -1.258 1.00 43.13 H ATOM 8 N LEU A 2 2.894 -2.488 -0.697 1.00 12.43 N ATOM 9 CA LEU A 2 3.505 -3.656 -1.339 1.00 2.31 C ATOM 10 C LEU A 2 2.738 -4.848 -0.786 1.00 12.21 C ATOM 11 O LEU A 2 2.228 -4.683 0.309 1.00 3.25 O ATOM 12 CB LEU A 2 5.013 -3.818 -0.969 1.00 73.14 C ATOM 13 CG LEU A 2 5.775 -2.512 -0.589 1.00 42.54 C ATOM 14 CD1 LEU A 2 7.241 -2.843 -0.186 1.00 12.10 C ATOM 15 CD2 LEU A 2 5.774 -1.454 -1.725 1.00 34.14 C ATOM 16 H LEU A 2 2.913 -2.465 0.301 1.00 64.34 H ATOM 17 HA LEU A 2 3.396 -3.604 -2.433 1.00 32.35 H ATOM 18 HB2 LEU A 2 5.078 -4.474 -0.087 1.00 72.44 H ATOM 19 HB3 LEU A 2 5.539 -4.316 -1.797 1.00 73.40 H ATOM 20 HG LEU A 2 5.293 -2.064 0.292 1.00 31.02 H ATOM 21 HD11 LEU A 2 7.271 -3.577 0.633 1.00 73.13 H ATOM 22 HD12 LEU A 2 7.767 -1.937 0.156 1.00 43.15 H ATOM 23 HD13 LEU A 2 7.789 -3.260 -1.045 1.00 42.33 H ATOM 24 HD21 LEU A 2 6.336 -0.561 -1.408 1.00 1.11 H ATOM 25 HD22 LEU A 2 4.755 -1.132 -1.978 1.00 5.40 H ATOM 26 HD23 LEU A 2 6.245 -1.864 -2.630 1.00 40.52 H ATOM 27 N PRO A 3 2.591 -6.055 -1.384 1.00 44.00 N ATOM 28 CA PRO A 3 1.891 -7.134 -0.685 1.00 45.52 C ATOM 29 C PRO A 3 2.760 -7.782 0.375 1.00 71.33 C ATOM 30 O PRO A 3 3.010 -8.972 0.284 1.00 24.22 O ATOM 31 CB PRO A 3 1.540 -8.024 -1.905 1.00 1.25 C ATOM 32 CG PRO A 3 2.749 -7.821 -2.847 1.00 45.22 C ATOM 33 CD PRO A 3 3.062 -6.309 -2.735 1.00 61.14 C ATOM 34 HA PRO A 3 0.965 -6.825 -0.178 1.00 5.44 H ATOM 35 HB2 PRO A 3 1.347 -9.079 -1.649 1.00 32.20 H ATOM 36 HB3 PRO A 3 0.644 -7.620 -2.405 1.00 72.35 H ATOM 37 HG2 PRO A 3 3.595 -8.392 -2.444 1.00 74.20 H ATOM 38 HG3 PRO A 3 2.558 -8.149 -3.881 1.00 24.32 H ATOM 39 HD2 PRO A 3 4.132 -6.094 -2.876 1.00 42.24 H ATOM 40 HD3 PRO A 3 2.455 -5.731 -3.450 1.00 64.13 H ATOM 41 N TRP A 4 3.203 -7.013 1.401 1.00 50.45 N ATOM 42 CA TRP A 4 4.005 -7.563 2.499 1.00 45.23 C ATOM 43 C TRP A 4 4.392 -6.424 3.434 1.00 43.22 C ATOM 44 O TRP A 4 5.517 -5.955 3.370 1.00 12.02 O ATOM 45 CB TRP A 4 5.237 -8.393 2.013 1.00 31.22 C ATOM 46 CG TRP A 4 5.833 -7.922 0.709 1.00 41.54 C ATOM 47 CD1 TRP A 4 6.481 -6.770 0.474 1.00 2.22 C ATOM 48 CD2 TRP A 4 5.821 -8.683 -0.598 1.00 4.34 C ATOM 49 NE1 TRP A 4 6.830 -6.707 -0.785 1.00 5.40 N ATOM 50 CE2 TRP A 4 6.439 -7.802 -1.465 1.00 11.53 C ATOM 51 CE3 TRP A 4 5.377 -9.935 -1.021 1.00 15.22 C ATOM 52 CZ2 TRP A 4 6.592 -8.088 -2.822 1.00 10.43 C ATOM 53 CZ3 TRP A 4 5.538 -10.245 -2.379 1.00 72.33 C ATOM 54 CH2 TRP A 4 6.125 -9.331 -3.267 1.00 3.22 C ATOM 55 H TRP A 4 2.938 -6.049 1.457 1.00 22.43 H ATOM 56 HA TRP A 4 3.367 -8.239 3.091 1.00 61.34 H ATOM 57 HB2 TRP A 4 6.024 -8.400 2.784 1.00 43.23 H ATOM 58 HB3 TRP A 4 4.940 -9.442 1.868 1.00 63.11 H ATOM 59 HD1 TRP A 4 6.693 -5.996 1.209 1.00 31.11 H ATOM 60 HE1 TRP A 4 7.350 -5.922 -1.203 1.00 2.52 H ATOM 61 HE3 TRP A 4 4.927 -10.644 -0.333 1.00 4.42 H ATOM 62 HZ2 TRP A 4 7.052 -7.377 -3.499 1.00 71.35 H ATOM 63 HZ3 TRP A 4 5.198 -11.208 -2.749 1.00 73.45 H ATOM 64 HH2 TRP A 4 6.217 -9.590 -4.317 1.00 32.43 H ATOM 65 N GLY A 5 3.476 -5.941 4.313 1.00 33.31 N ATOM 66 CA GLY A 5 3.813 -4.788 5.152 1.00 52.31 C ATOM 67 C GLY A 5 2.728 -4.392 6.139 1.00 31.32 C ATOM 68 O GLY A 5 2.315 -5.253 6.898 1.00 35.11 O ATOM 69 H GLY A 5 2.560 -6.341 4.386 1.00 74.51 H ATOM 70 HA2 GLY A 5 4.708 -5.020 5.751 1.00 24.22 H ATOM 71 HA3 GLY A 5 4.065 -3.952 4.482 1.00 60.12 H ATOM 72 N CYS A 6 2.267 -3.114 6.153 1.00 70.44 N ATOM 73 CA CYS A 6 1.318 -2.618 7.152 1.00 53.32 C ATOM 74 C CYS A 6 0.292 -1.706 6.508 1.00 45.23 C ATOM 75 O CYS A 6 0.621 -1.195 5.450 1.00 20.31 O ATOM 76 CB CYS A 6 2.113 -1.705 8.121 1.00 31.34 C ATOM 77 SG CYS A 6 3.493 -2.569 8.919 1.00 10.25 S ATOM 78 H CYS A 6 2.614 -2.440 5.508 1.00 63.12 H ATOM 79 HA CYS A 6 0.833 -3.448 7.688 1.00 12.43 H ATOM 80 HB2 CYS A 6 2.526 -0.853 7.564 1.00 52.31 H ATOM 81 HB3 CYS A 6 1.475 -1.307 8.919 1.00 22.15 H ATOM 82 N PRO A 7 -0.918 -1.431 7.064 1.00 41.40 N ATOM 83 CA PRO A 7 -1.823 -0.492 6.408 1.00 34.33 C ATOM 84 C PRO A 7 -1.296 0.925 6.489 1.00 70.45 C ATOM 85 O PRO A 7 -1.178 1.429 7.593 1.00 20.54 O ATOM 86 CB PRO A 7 -3.094 -0.688 7.275 1.00 40.22 C ATOM 87 CG PRO A 7 -2.557 -1.129 8.657 1.00 34.33 C ATOM 88 CD PRO A 7 -1.385 -2.067 8.290 1.00 40.22 C ATOM 89 HA PRO A 7 -2.035 -0.776 5.366 1.00 1.53 H ATOM 90 HB2 PRO A 7 -3.732 0.209 7.324 1.00 62.30 H ATOM 91 HB3 PRO A 7 -3.692 -1.516 6.859 1.00 73.02 H ATOM 92 HG2 PRO A 7 -2.168 -0.255 9.203 1.00 40.15 H ATOM 93 HG3 PRO A 7 -3.316 -1.618 9.287 1.00 51.33 H ATOM 94 HD2 PRO A 7 -0.661 -2.125 9.113 1.00 13.31 H ATOM 95 HD3 PRO A 7 -1.756 -3.076 8.059 1.00 12.41 H ATOM 96 N SER A 8 -0.984 1.596 5.351 1.00 30.45 N ATOM 97 CA SER A 8 -0.495 2.976 5.406 1.00 32.04 C ATOM 98 C SER A 8 -0.429 3.609 4.024 1.00 25.44 C ATOM 99 O SER A 8 -1.078 4.621 3.809 1.00 74.11 O ATOM 100 CB SER A 8 0.901 3.050 6.080 1.00 10.21 C ATOM 101 OG SER A 8 1.807 2.112 5.484 1.00 64.23 O ATOM 102 H SER A 8 -1.076 1.162 4.454 1.00 33.10 H ATOM 103 HA SER A 8 -1.199 3.576 6.008 1.00 50.23 H ATOM 104 HB2 SER A 8 1.317 4.060 5.941 1.00 74.24 H ATOM 105 HB3 SER A 8 0.845 2.862 7.165 1.00 61.24 H ATOM 106 HG SER A 8 1.553 1.206 5.627 1.00 51.53 H ATOM 107 N ASP A 9 0.344 3.039 3.068 1.00 70.22 N ATOM 108 CA ASP A 9 0.407 3.603 1.712 1.00 21.43 C ATOM 109 C ASP A 9 -0.942 3.447 1.037 1.00 60.21 C ATOM 110 O ASP A 9 -1.871 3.006 1.694 1.00 34.54 O ATOM 111 CB ASP A 9 1.493 2.867 0.863 1.00 53.11 C ATOM 112 CG ASP A 9 1.099 1.430 0.592 1.00 22.45 C ATOM 113 OD1 ASP A 9 0.165 0.964 1.228 1.00 23.04 O ATOM 114 H ASP A 9 0.858 2.207 3.275 1.00 23.01 H ATOM 115 HA ASP A 9 0.658 4.674 1.779 1.00 20.10 H ATOM 116 HB2 ASP A 9 1.653 3.354 -0.109 1.00 33.32 H ATOM 117 HB3 ASP A 9 2.454 2.928 1.392 1.00 54.22 H ATOM 118 N ILE A 10 -1.050 3.778 -0.274 1.00 51.40 N ATOM 119 CA ILE A 10 -2.236 3.463 -1.075 1.00 30.33 C ATOM 120 C ILE A 10 -2.974 2.218 -0.602 1.00 55.42 C ATOM 121 O ILE A 10 -2.317 1.307 -0.123 1.00 63.45 O ATOM 122 CB ILE A 10 -1.845 3.223 -2.573 1.00 52.34 C ATOM 123 CG1 ILE A 10 -0.601 2.286 -2.691 1.00 32.43 C ATOM 124 CG2 ILE A 10 -1.623 4.561 -3.337 1.00 45.05 C ATOM 125 CD1 ILE A 10 -0.551 1.480 -4.018 1.00 34.12 C ATOM 126 H ILE A 10 -0.318 4.286 -0.721 1.00 52.31 H ATOM 127 HA ILE A 10 -2.896 4.338 -0.984 1.00 52.21 H ATOM 128 HB ILE A 10 -2.690 2.730 -3.081 1.00 62.22 H ATOM 129 HG12 ILE A 10 0.330 2.865 -2.590 1.00 73.21 H ATOM 130 HG13 ILE A 10 -0.617 1.552 -1.875 1.00 32.25 H ATOM 131 HG21 ILE A 10 -1.397 4.373 -4.398 1.00 43.34 H ATOM 132 HG22 ILE A 10 -2.531 5.183 -3.291 1.00 0.24 H ATOM 133 HG23 ILE A 10 -0.789 5.135 -2.908 1.00 35.21 H ATOM 134 HD11 ILE A 10 -1.435 0.829 -4.104 1.00 35.42 H ATOM 135 HD12 ILE A 10 -0.517 2.147 -4.891 1.00 10.43 H ATOM 136 HD13 ILE A 10 0.347 0.840 -4.036 1.00 23.52 H ATOM 137 N PRO A 11 -4.323 2.096 -0.712 1.00 40.35 N ATOM 138 CA PRO A 11 -4.992 0.909 -0.189 1.00 55.03 C ATOM 139 C PRO A 11 -4.804 -0.334 -1.034 1.00 3.33 C ATOM 140 O PRO A 11 -5.374 -1.348 -0.663 1.00 13.50 O ATOM 141 CB PRO A 11 -6.461 1.401 -0.235 1.00 31.35 C ATOM 142 CG PRO A 11 -6.483 2.344 -1.459 1.00 14.30 C ATOM 143 CD PRO A 11 -5.160 3.129 -1.309 1.00 13.51 C ATOM 144 HA PRO A 11 -4.684 0.690 0.846 1.00 32.25 H ATOM 145 HB2 PRO A 11 -7.201 0.588 -0.303 1.00 32.24 H ATOM 146 HB3 PRO A 11 -6.678 1.998 0.668 1.00 54.41 H ATOM 147 HG2 PRO A 11 -6.451 1.739 -2.381 1.00 4.31 H ATOM 148 HG3 PRO A 11 -7.370 2.998 -1.492 1.00 63.03 H ATOM 149 HD2 PRO A 11 -4.812 3.504 -2.284 1.00 12.53 H ATOM 150 HD3 PRO A 11 -5.284 3.965 -0.602 1.00 31.40 H ATOM 151 N GLY A 12 -4.037 -0.316 -2.150 1.00 12.13 N ATOM 152 CA GLY A 12 -3.870 -1.532 -2.941 1.00 42.22 C ATOM 153 C GLY A 12 -3.301 -2.663 -2.117 1.00 21.32 C ATOM 154 O GLY A 12 -3.748 -3.785 -2.295 1.00 15.44 O ATOM 155 H GLY A 12 -3.578 0.511 -2.471 1.00 35.03 H ATOM 156 HA2 GLY A 12 -4.847 -1.814 -3.366 1.00 42.52 H ATOM 157 HA3 GLY A 12 -3.176 -1.365 -3.781 1.00 10.51 H ATOM 158 N TRP A 13 -2.309 -2.396 -1.232 1.00 51.13 N ATOM 159 CA TRP A 13 -1.667 -3.478 -0.485 1.00 43.01 C ATOM 160 C TRP A 13 -1.232 -2.985 0.889 1.00 4.22 C ATOM 161 O TRP A 13 -2.078 -2.400 1.546 1.00 42.15 O ATOM 162 CB TRP A 13 -0.535 -4.044 -1.381 1.00 11.33 C ATOM 163 CG TRP A 13 -0.962 -4.566 -2.723 1.00 34.25 C ATOM 164 CD1 TRP A 13 -0.732 -4.017 -3.927 1.00 3.21 C ATOM 165 CD2 TRP A 13 -1.714 -5.851 -2.959 1.00 5.44 C ATOM 166 NE1 TRP A 13 -1.229 -4.792 -4.858 1.00 55.13 N ATOM 167 CE2 TRP A 13 -1.809 -5.891 -4.336 1.00 12.04 C ATOM 168 CE3 TRP A 13 -2.239 -6.853 -2.145 1.00 21.21 C ATOM 169 CZ2 TRP A 13 -2.425 -6.955 -4.994 1.00 3.41 C ATOM 170 CZ3 TRP A 13 -2.870 -7.922 -2.793 1.00 30.32 C ATOM 171 CH2 TRP A 13 -2.956 -7.975 -4.193 1.00 75.41 C ATOM 172 H TRP A 13 -1.954 -1.468 -1.117 1.00 52.33 H ATOM 173 HA TRP A 13 -2.386 -4.289 -0.284 1.00 35.13 H ATOM 174 HB2 TRP A 13 0.227 -3.269 -1.532 1.00 52.14 H ATOM 175 HB3 TRP A 13 -0.078 -4.909 -0.892 1.00 54.20 H ATOM 176 HD1 TRP A 13 -0.207 -3.077 -4.098 1.00 73.20 H ATOM 177 HE1 TRP A 13 -1.173 -4.591 -5.867 1.00 32.53 H ATOM 178 HE3 TRP A 13 -2.159 -6.804 -1.064 1.00 32.13 H ATOM 179 HZ2 TRP A 13 -2.486 -6.989 -6.076 1.00 1.32 H ATOM 180 HZ3 TRP A 13 -3.298 -8.725 -2.200 1.00 13.35 H ATOM 181 HH2 TRP A 13 -3.443 -8.822 -4.667 1.00 33.14 H ATOM 182 N ASN A 14 0.025 -3.194 1.366 1.00 1.32 N ATOM 183 CA ASN A 14 0.409 -2.837 2.736 1.00 14.34 C ATOM 184 C ASN A 14 1.876 -2.432 2.734 1.00 41.14 C ATOM 185 O ASN A 14 2.651 -3.214 2.209 1.00 50.53 O ATOM 186 CB ASN A 14 0.218 -4.122 3.600 1.00 74.01 C ATOM 187 CG ASN A 14 -0.774 -4.039 4.737 1.00 71.14 C ATOM 188 OD1 ASN A 14 -1.652 -3.192 4.718 1.00 12.00 O ATOM 189 ND2 ASN A 14 -0.661 -4.935 5.744 1.00 34.53 N ATOM 190 H ASN A 14 0.724 -3.671 0.840 1.00 72.25 H ATOM 191 HA ASN A 14 -0.194 -1.993 3.102 1.00 64.03 H ATOM 192 HB2 ASN A 14 -0.124 -4.957 2.969 1.00 73.31 H ATOM 193 HB3 ASN A 14 1.189 -4.421 4.008 1.00 14.52 H ATOM 194 HD21 ASN A 14 0.056 -5.632 5.743 1.00 63.53 H ATOM 195 HD22 ASN A 14 -1.311 -4.920 6.504 1.00 14.04 H ATOM 196 N THR A 15 2.313 -1.270 3.279 1.00 55.14 N ATOM 197 CA THR A 15 3.717 -0.846 3.129 1.00 45.44 C ATOM 198 C THR A 15 4.480 -1.087 4.417 1.00 41.55 C ATOM 199 O THR A 15 3.907 -0.754 5.442 1.00 31.10 O ATOM 200 CB THR A 15 3.778 0.632 2.631 1.00 20.05 C ATOM 201 OG1 THR A 15 4.338 0.755 1.309 1.00 55.13 O ATOM 202 CG2 THR A 15 4.462 1.638 3.589 1.00 25.34 C ATOM 203 H THR A 15 1.685 -0.683 3.793 1.00 62.22 H ATOM 204 HA THR A 15 4.172 -1.432 2.326 1.00 2.14 H ATOM 205 HB THR A 15 2.742 0.962 2.537 1.00 42.31 H ATOM 206 HG1 THR A 15 5.262 0.526 1.281 1.00 73.43 H ATOM 207 HG21 THR A 15 5.523 1.395 3.679 1.00 0.12 H ATOM 208 HG22 THR A 15 4.008 1.608 4.585 1.00 1.43 H ATOM 209 HG23 THR A 15 4.376 2.663 3.198 1.00 65.42 H ATOM 210 N PRO A 16 5.719 -1.647 4.471 1.00 22.44 N ATOM 211 CA PRO A 16 6.361 -1.869 5.761 1.00 73.31 C ATOM 212 C PRO A 16 6.973 -0.606 6.329 1.00 32.52 C ATOM 213 O PRO A 16 7.081 -0.521 7.542 1.00 54.22 O ATOM 214 CB PRO A 16 7.447 -2.894 5.340 1.00 21.21 C ATOM 215 CG PRO A 16 7.799 -2.523 3.880 1.00 11.50 C ATOM 216 CD PRO A 16 6.434 -2.101 3.283 1.00 14.13 C ATOM 217 HA PRO A 16 5.666 -2.316 6.492 1.00 73.45 H ATOM 218 HB2 PRO A 16 8.321 -2.896 6.012 1.00 62.01 H ATOM 219 HB3 PRO A 16 7.008 -3.905 5.334 1.00 30.31 H ATOM 220 HG2 PRO A 16 8.503 -1.676 3.879 1.00 42.30 H ATOM 221 HG3 PRO A 16 8.267 -3.352 3.325 1.00 3.53 H ATOM 222 HD2 PRO A 16 6.563 -1.314 2.524 1.00 71.41 H ATOM 223 HD3 PRO A 16 5.923 -2.977 2.851 1.00 40.33 H ATOM 224 N TRP A 17 7.397 0.369 5.490 1.00 71.44 N ATOM 225 CA TRP A 17 8.094 1.555 5.990 1.00 31.04 C ATOM 226 C TRP A 17 7.391 2.147 7.193 1.00 2.43 C ATOM 227 O TRP A 17 8.005 2.221 8.246 1.00 23.52 O ATOM 228 CB TRP A 17 8.287 2.659 4.907 1.00 51.12 C ATOM 229 CG TRP A 17 8.825 2.091 3.619 1.00 72.21 C ATOM 230 CD1 TRP A 17 8.201 2.046 2.429 1.00 74.24 C ATOM 231 CD2 TRP A 17 10.175 1.448 3.428 1.00 4.11 C ATOM 232 NE1 TRP A 17 8.967 1.448 1.554 1.00 63.14 N ATOM 233 CE2 TRP A 17 10.140 1.069 2.099 1.00 2.44 C ATOM 234 CE3 TRP A 17 11.285 1.211 4.236 1.00 32.54 C ATOM 235 CZ2 TRP A 17 11.205 0.402 1.498 1.00 11.50 C ATOM 236 CZ3 TRP A 17 12.364 0.542 3.645 1.00 12.35 C ATOM 237 CH2 TRP A 17 12.325 0.142 2.300 1.00 34.31 C ATOM 238 H TRP A 17 7.312 0.255 4.506 1.00 1.40 H ATOM 239 HA TRP A 17 9.094 1.211 6.301 1.00 32.33 H ATOM 240 HB2 TRP A 17 7.327 3.148 4.683 1.00 0.21 H ATOM 241 HB3 TRP A 17 8.979 3.433 5.275 1.00 10.15 H ATOM 242 HD1 TRP A 17 7.207 2.438 2.214 1.00 24.44 H ATOM 243 HE1 TRP A 17 8.706 1.286 0.570 1.00 65.03 H ATOM 244 HE3 TRP A 17 11.313 1.535 5.270 1.00 5.03 H ATOM 245 HZ2 TRP A 17 11.166 0.099 0.456 1.00 15.52 H ATOM 246 HZ3 TRP A 17 13.248 0.330 4.240 1.00 53.20 H ATOM 247 HH2 TRP A 17 13.176 -0.378 1.871 1.00 74.45 H ATOM 248 N ALA A 18 6.110 2.563 7.054 1.00 64.25 N ATOM 249 CA ALA A 18 5.359 3.117 8.179 1.00 41.24 C ATOM 250 C ALA A 18 4.378 2.071 8.648 1.00 14.34 C ATOM 251 O ALA A 18 3.911 1.321 7.805 1.00 42.00 O ATOM 252 CB ALA A 18 4.570 4.379 7.746 1.00 23.24 C ATOM 253 H ALA A 18 5.624 2.454 6.187 1.00 22.14 H ATOM 254 HA ALA A 18 6.031 3.413 9.002 1.00 13.11 H ATOM 255 HB1 ALA A 18 5.268 5.147 7.379 1.00 63.44 H ATOM 256 HB2 ALA A 18 3.859 4.136 6.940 1.00 13.04 H ATOM 257 HB3 ALA A 18 4.005 4.789 8.598 1.00 41.13 H ATOM 258 N CYS A 19 4.051 2.008 9.961 1.00 70.14 N ATOM 259 CA CYS A 19 3.111 1.003 10.452 1.00 30.44 C ATOM 260 C CYS A 19 2.371 1.563 11.632 1.00 0.00 C ATOM 261 O CYS A 19 1.203 1.926 11.509 1.00 0.00 O ATOM 262 CB CYS A 19 3.864 -0.283 10.887 1.00 45.03 C ATOM 263 SG CYS A 19 4.718 -1.042 9.466 1.00 4.43 S ATOM 264 OXT CYS A 19 2.981 1.666 12.814 1.00 0.00 O ATOM 265 H CYS A 19 4.466 2.626 10.632 1.00 34.51 H ATOM 266 HA CYS A 19 2.360 0.760 9.683 1.00 12.00 H ATOM 267 HB2 CYS A 19 4.625 -0.023 11.638 1.00 32.40 H ATOM 268 HB3 CYS A 19 3.164 -1.009 11.329 1.00 21.13 H ATOM 269 HXT CYS A 19 2.368 2.041 13.450 1.00 0.00 H TER 270 CYS A 19 ENDMDL MODEL 15 ATOM 1 N GLY A 1 1.748 0.692 -0.381 1.00 62.05 N ATOM 2 CA GLY A 1 1.253 -0.648 -0.686 1.00 24.22 C ATOM 3 C GLY A 1 2.188 -1.565 -1.443 1.00 61.00 C ATOM 4 O GLY A 1 2.234 -1.468 -2.660 1.00 5.44 O ATOM 5 H1 GLY A 1 2.529 1.056 -0.900 1.00 53.22 H ATOM 6 HA2 GLY A 1 0.955 -1.153 0.243 1.00 52.30 H ATOM 7 HA3 GLY A 1 0.345 -0.545 -1.298 1.00 50.41 H ATOM 8 N LEU A 2 2.889 -2.489 -0.740 1.00 22.41 N ATOM 9 CA LEU A 2 3.501 -3.656 -1.385 1.00 53.42 C ATOM 10 C LEU A 2 2.746 -4.842 -0.802 1.00 62.41 C ATOM 11 O LEU A 2 2.248 -4.663 0.297 1.00 41.40 O ATOM 12 CB LEU A 2 5.027 -3.813 -1.084 1.00 13.43 C ATOM 13 CG LEU A 2 5.769 -2.536 -0.585 1.00 71.44 C ATOM 14 CD1 LEU A 2 7.234 -2.883 -0.197 1.00 12.41 C ATOM 15 CD2 LEU A 2 5.772 -1.384 -1.621 1.00 61.54 C ATOM 16 H LEU A 2 2.896 -2.476 0.259 1.00 0.22 H ATOM 17 HA LEU A 2 3.344 -3.624 -2.474 1.00 13.31 H ATOM 18 HB2 LEU A 2 5.143 -4.553 -0.278 1.00 22.43 H ATOM 19 HB3 LEU A 2 5.546 -4.206 -1.974 1.00 3.34 H ATOM 20 HG LEU A 2 5.274 -2.169 0.326 1.00 62.32 H ATOM 21 HD11 LEU A 2 7.744 -1.993 0.202 1.00 1.33 H ATOM 22 HD12 LEU A 2 7.795 -3.247 -1.072 1.00 34.41 H ATOM 23 HD13 LEU A 2 7.254 -3.662 0.579 1.00 63.11 H ATOM 24 HD21 LEU A 2 6.286 -0.505 -1.199 1.00 33.22 H ATOM 25 HD22 LEU A 2 4.750 -1.085 -1.882 1.00 24.14 H ATOM 26 HD23 LEU A 2 6.295 -1.697 -2.537 1.00 43.32 H ATOM 27 N PRO A 3 2.599 -6.057 -1.386 1.00 70.00 N ATOM 28 CA PRO A 3 1.898 -7.131 -0.679 1.00 51.31 C ATOM 29 C PRO A 3 2.759 -7.782 0.386 1.00 60.04 C ATOM 30 O PRO A 3 2.996 -8.976 0.304 1.00 4.35 O ATOM 31 CB PRO A 3 1.546 -8.024 -1.896 1.00 64.04 C ATOM 32 CG PRO A 3 2.757 -7.837 -2.835 1.00 44.22 C ATOM 33 CD PRO A 3 3.071 -6.325 -2.735 1.00 61.40 C ATOM 34 HA PRO A 3 0.968 -6.816 -0.181 1.00 15.01 H ATOM 35 HB2 PRO A 3 1.350 -9.075 -1.629 1.00 35.53 H ATOM 36 HB3 PRO A 3 0.654 -7.618 -2.404 1.00 15.34 H ATOM 37 HG2 PRO A 3 3.594 -8.412 -2.419 1.00 72.14 H ATOM 38 HG3 PRO A 3 2.568 -8.179 -3.866 1.00 14.44 H ATOM 39 HD2 PRO A 3 4.143 -6.117 -2.875 1.00 43.31 H ATOM 40 HD3 PRO A 3 2.468 -5.758 -3.463 1.00 23.14 H ATOM 41 N TRP A 4 3.210 -7.010 1.407 1.00 55.13 N ATOM 42 CA TRP A 4 3.997 -7.569 2.512 1.00 41.33 C ATOM 43 C TRP A 4 4.396 -6.438 3.450 1.00 72.54 C ATOM 44 O TRP A 4 5.533 -5.998 3.403 1.00 23.32 O ATOM 45 CB TRP A 4 5.220 -8.415 2.032 1.00 12.25 C ATOM 46 CG TRP A 4 5.819 -7.950 0.726 1.00 24.13 C ATOM 47 CD1 TRP A 4 6.461 -6.795 0.490 1.00 61.33 C ATOM 48 CD2 TRP A 4 5.813 -8.715 -0.575 1.00 55.25 C ATOM 49 NE1 TRP A 4 6.813 -6.736 -0.768 1.00 62.41 N ATOM 50 CE2 TRP A 4 6.431 -7.838 -1.444 1.00 63.20 C ATOM 51 CE3 TRP A 4 5.368 -9.972 -0.997 1.00 2.15 C ATOM 52 CZ2 TRP A 4 6.592 -8.133 -2.798 1.00 43.34 C ATOM 53 CZ3 TRP A 4 5.534 -10.290 -2.351 1.00 45.23 C ATOM 54 CH2 TRP A 4 6.128 -9.380 -3.242 1.00 43.34 C ATOM 55 H TRP A 4 2.961 -6.041 1.453 1.00 2.32 H ATOM 56 HA TRP A 4 3.342 -8.235 3.101 1.00 24.21 H ATOM 57 HB2 TRP A 4 6.006 -8.430 2.801 1.00 12.23 H ATOM 58 HB3 TRP A 4 4.910 -9.462 1.886 1.00 20.10 H ATOM 59 HD1 TRP A 4 6.666 -6.015 1.222 1.00 53.32 H ATOM 60 HE1 TRP A 4 7.322 -5.945 -1.190 1.00 75.01 H ATOM 61 HE3 TRP A 4 4.912 -10.675 -0.310 1.00 21.24 H ATOM 62 HZ2 TRP A 4 7.054 -7.428 -3.479 1.00 41.10 H ATOM 63 HZ3 TRP A 4 5.196 -11.254 -2.720 1.00 61.21 H ATOM 64 HH2 TRP A 4 6.227 -9.646 -4.288 1.00 3.03 H ATOM 65 N GLY A 5 3.479 -5.935 4.318 1.00 45.43 N ATOM 66 CA GLY A 5 3.838 -4.800 5.172 1.00 23.54 C ATOM 67 C GLY A 5 2.758 -4.396 6.162 1.00 45.12 C ATOM 68 O GLY A 5 2.377 -5.235 6.962 1.00 63.41 O ATOM 69 H GLY A 5 2.551 -6.311 4.375 1.00 4.02 H ATOM 70 HA2 GLY A 5 4.726 -5.060 5.769 1.00 70.03 H ATOM 71 HA3 GLY A 5 4.113 -3.963 4.514 1.00 71.54 H ATOM 72 N CYS A 6 2.265 -3.131 6.135 1.00 11.13 N ATOM 73 CA CYS A 6 1.320 -2.626 7.131 1.00 64.30 C ATOM 74 C CYS A 6 0.303 -1.708 6.481 1.00 3.44 C ATOM 75 O CYS A 6 0.641 -1.201 5.424 1.00 32.12 O ATOM 76 CB CYS A 6 2.120 -1.721 8.101 1.00 30.24 C ATOM 77 SG CYS A 6 3.510 -2.584 8.882 1.00 22.32 S ATOM 78 H CYS A 6 2.585 -2.474 5.459 1.00 5.53 H ATOM 79 HA CYS A 6 0.827 -3.447 7.674 1.00 41.01 H ATOM 80 HB2 CYS A 6 2.531 -0.869 7.543 1.00 31.03 H ATOM 81 HB3 CYS A 6 1.488 -1.330 8.906 1.00 24.30 H ATOM 82 N PRO A 7 -0.907 -1.427 7.036 1.00 62.40 N ATOM 83 CA PRO A 7 -1.813 -0.495 6.374 1.00 71.02 C ATOM 84 C PRO A 7 -1.334 0.940 6.461 1.00 71.14 C ATOM 85 O PRO A 7 -1.465 1.531 7.520 1.00 55.14 O ATOM 86 CB PRO A 7 -3.095 -0.729 7.219 1.00 35.31 C ATOM 87 CG PRO A 7 -2.570 -1.143 8.611 1.00 44.12 C ATOM 88 CD PRO A 7 -1.378 -2.061 8.263 1.00 63.25 C ATOM 89 HA PRO A 7 -2.004 -0.774 5.326 1.00 20.11 H ATOM 90 HB2 PRO A 7 -3.763 0.145 7.251 1.00 61.44 H ATOM 91 HB3 PRO A 7 -3.658 -1.585 6.810 1.00 52.31 H ATOM 92 HG2 PRO A 7 -2.207 -0.254 9.150 1.00 23.03 H ATOM 93 HG3 PRO A 7 -3.328 -1.642 9.236 1.00 5.31 H ATOM 94 HD2 PRO A 7 -0.667 -2.085 9.098 1.00 3.25 H ATOM 95 HD3 PRO A 7 -1.731 -3.080 8.049 1.00 73.21 H ATOM 96 N SER A 8 -0.809 1.539 5.362 1.00 11.43 N ATOM 97 CA SER A 8 -0.480 2.970 5.382 1.00 64.41 C ATOM 98 C SER A 8 -0.397 3.594 3.996 1.00 14.43 C ATOM 99 O SER A 8 -1.030 4.617 3.782 1.00 65.53 O ATOM 100 CB SER A 8 0.785 3.280 6.233 1.00 51.02 C ATOM 101 OG SER A 8 2.007 2.926 5.575 1.00 51.10 O ATOM 102 H SER A 8 -0.682 1.018 4.517 1.00 72.34 H ATOM 103 HA SER A 8 -1.324 3.474 5.883 1.00 63.12 H ATOM 104 HB2 SER A 8 0.826 4.352 6.488 1.00 71.40 H ATOM 105 HB3 SER A 8 0.743 2.715 7.176 1.00 62.22 H ATOM 106 HG SER A 8 2.190 3.481 4.823 1.00 73.11 H ATOM 107 N ASP A 9 0.360 3.018 3.030 1.00 3.15 N ATOM 108 CA ASP A 9 0.409 3.590 1.676 1.00 54.05 C ATOM 109 C ASP A 9 -0.946 3.445 1.011 1.00 44.11 C ATOM 110 O ASP A 9 -1.876 3.012 1.672 1.00 13.32 O ATOM 111 CB ASP A 9 1.490 2.862 0.814 1.00 63.05 C ATOM 112 CG ASP A 9 1.080 1.431 0.540 1.00 34.30 C ATOM 113 OD1 ASP A 9 0.142 0.967 1.169 1.00 11.15 O ATOM 114 H ASP A 9 0.882 2.184 3.218 1.00 73.33 H ATOM 115 HA ASP A 9 0.670 4.660 1.740 1.00 20.10 H ATOM 116 HB2 ASP A 9 1.658 3.370 -0.147 1.00 70.12 H ATOM 117 HB3 ASP A 9 2.447 2.907 1.351 1.00 60.51 H ATOM 118 N ILE A 10 -1.059 3.775 -0.298 1.00 35.10 N ATOM 119 CA ILE A 10 -2.250 3.458 -1.093 1.00 14.01 C ATOM 120 C ILE A 10 -2.980 2.212 -0.615 1.00 33.11 C ATOM 121 O ILE A 10 -2.318 1.304 -0.137 1.00 11.01 O ATOM 122 CB ILE A 10 -1.870 3.223 -2.596 1.00 4.14 C ATOM 123 CG1 ILE A 10 -0.630 2.283 -2.725 1.00 34.20 C ATOM 124 CG2 ILE A 10 -1.650 4.565 -3.355 1.00 60.53 C ATOM 125 CD1 ILE A 10 -0.575 1.503 -4.067 1.00 54.13 C ATOM 126 H ILE A 10 -0.328 4.282 -0.751 1.00 14.40 H ATOM 127 HA ILE A 10 -2.914 4.330 -0.999 1.00 32.21 H ATOM 128 HB ILE A 10 -2.719 2.727 -3.091 1.00 43.14 H ATOM 129 HG12 ILE A 10 0.302 2.858 -2.606 1.00 62.54 H ATOM 130 HG13 ILE A 10 -0.656 1.530 -1.926 1.00 20.05 H ATOM 131 HG21 ILE A 10 -0.808 5.136 -2.934 1.00 4.20 H ATOM 132 HG22 ILE A 10 -1.438 4.383 -4.420 1.00 15.41 H ATOM 133 HG23 ILE A 10 -2.555 5.190 -3.294 1.00 0.53 H ATOM 134 HD11 ILE A 10 -0.522 2.188 -4.926 1.00 4.34 H ATOM 135 HD12 ILE A 10 0.316 0.855 -4.084 1.00 70.22 H ATOM 136 HD13 ILE A 10 -1.465 0.863 -4.178 1.00 53.44 H ATOM 137 N PRO A 11 -4.330 2.085 -0.717 1.00 43.01 N ATOM 138 CA PRO A 11 -4.992 0.896 -0.186 1.00 23.15 C ATOM 139 C PRO A 11 -4.784 -0.354 -1.016 1.00 15.11 C ATOM 140 O PRO A 11 -5.296 -1.387 -0.614 1.00 65.55 O ATOM 141 CB PRO A 11 -6.465 1.372 -0.244 1.00 31.23 C ATOM 142 CG PRO A 11 -6.490 2.312 -1.469 1.00 5.40 C ATOM 143 CD PRO A 11 -5.177 3.113 -1.315 1.00 5.31 C ATOM 144 HA PRO A 11 -4.692 0.695 0.856 1.00 31.33 H ATOM 145 HB2 PRO A 11 -7.191 0.547 -0.322 1.00 51.02 H ATOM 146 HB3 PRO A 11 -6.701 1.968 0.655 1.00 60.45 H ATOM 147 HG2 PRO A 11 -6.448 1.700 -2.386 1.00 11.30 H ATOM 148 HG3 PRO A 11 -7.384 2.956 -1.504 1.00 2.12 H ATOM 149 HD2 PRO A 11 -4.836 3.497 -2.289 1.00 43.24 H ATOM 150 HD3 PRO A 11 -5.317 3.945 -0.606 1.00 4.40 H ATOM 151 N GLY A 12 -4.060 -0.318 -2.159 1.00 34.24 N ATOM 152 CA GLY A 12 -3.871 -1.537 -2.941 1.00 43.03 C ATOM 153 C GLY A 12 -3.302 -2.664 -2.112 1.00 34.32 C ATOM 154 O GLY A 12 -3.746 -3.789 -2.284 1.00 54.33 O ATOM 155 H GLY A 12 -3.660 0.528 -2.512 1.00 52.32 H ATOM 156 HA2 GLY A 12 -4.844 -1.835 -3.361 1.00 44.02 H ATOM 157 HA3 GLY A 12 -3.175 -1.365 -3.779 1.00 30.51 H ATOM 158 N TRP A 13 -2.314 -2.384 -1.229 1.00 45.42 N ATOM 159 CA TRP A 13 -1.665 -3.455 -0.473 1.00 74.43 C ATOM 160 C TRP A 13 -1.227 -2.950 0.896 1.00 70.43 C ATOM 161 O TRP A 13 -2.063 -2.336 1.539 1.00 21.34 O ATOM 162 CB TRP A 13 -0.534 -4.025 -1.368 1.00 31.14 C ATOM 163 CG TRP A 13 -0.968 -4.547 -2.710 1.00 51.41 C ATOM 164 CD1 TRP A 13 -0.757 -3.993 -3.913 1.00 44.10 C ATOM 165 CD2 TRP A 13 -1.715 -5.837 -2.941 1.00 41.21 C ATOM 166 NE1 TRP A 13 -1.259 -4.768 -4.842 1.00 53.35 N ATOM 167 CE2 TRP A 13 -1.826 -5.873 -4.317 1.00 0.11 C ATOM 168 CE3 TRP A 13 -2.225 -6.844 -2.124 1.00 0.01 C ATOM 169 CZ2 TRP A 13 -2.444 -6.937 -4.972 1.00 4.15 C ATOM 170 CZ3 TRP A 13 -2.856 -7.915 -2.768 1.00 73.40 C ATOM 171 CH2 TRP A 13 -2.960 -7.964 -4.169 1.00 72.22 C ATOM 172 H TRP A 13 -1.970 -1.450 -1.120 1.00 1.42 H ATOM 173 HA TRP A 13 -2.385 -4.263 -0.266 1.00 75.22 H ATOM 174 HB2 TRP A 13 0.230 -3.255 -1.526 1.00 24.04 H ATOM 175 HB3 TRP A 13 -0.078 -4.891 -0.881 1.00 4.44 H ATOM 176 HD1 TRP A 13 -0.241 -3.049 -4.087 1.00 24.55 H ATOM 177 HE1 TRP A 13 -1.217 -4.563 -5.851 1.00 55.13 H ATOM 178 HE3 TRP A 13 -2.132 -6.796 -1.044 1.00 11.23 H ATOM 179 HZ2 TRP A 13 -2.520 -6.967 -6.053 1.00 61.13 H ATOM 180 HZ3 TRP A 13 -3.273 -8.722 -2.174 1.00 22.52 H ATOM 181 HH2 TRP A 13 -3.448 -8.811 -4.638 1.00 13.35 H ATOM 182 N ASN A 14 0.021 -3.183 1.383 1.00 34.11 N ATOM 183 CA ASN A 14 0.406 -2.823 2.753 1.00 43.40 C ATOM 184 C ASN A 14 1.881 -2.454 2.755 1.00 41.31 C ATOM 185 O ASN A 14 2.640 -3.295 2.302 1.00 53.14 O ATOM 186 CB ASN A 14 0.198 -4.099 3.627 1.00 34.22 C ATOM 187 CG ASN A 14 -0.849 -4.027 4.713 1.00 62.43 C ATOM 188 OD1 ASN A 14 -1.740 -3.195 4.650 1.00 11.11 O ATOM 189 ND2 ASN A 14 -0.768 -4.916 5.729 1.00 2.31 N ATOM 190 H ASN A 14 0.711 -3.683 0.866 1.00 60.31 H ATOM 191 HA ASN A 14 -0.185 -1.971 3.123 1.00 73.31 H ATOM 192 HB2 ASN A 14 -0.082 -4.946 2.980 1.00 12.14 H ATOM 193 HB3 ASN A 14 1.148 -4.373 4.098 1.00 25.34 H ATOM 194 HD21 ASN A 14 -0.039 -5.600 5.767 1.00 22.24 H ATOM 195 HD22 ASN A 14 -1.453 -4.910 6.457 1.00 73.14 H ATOM 196 N THR A 15 2.347 -1.271 3.229 1.00 23.14 N ATOM 197 CA THR A 15 3.773 -0.930 3.095 1.00 13.15 C ATOM 198 C THR A 15 4.510 -1.175 4.395 1.00 52.24 C ATOM 199 O THR A 15 3.911 -0.870 5.414 1.00 50.10 O ATOM 200 CB THR A 15 3.951 0.516 2.545 1.00 75.44 C ATOM 201 OG1 THR A 15 4.949 0.555 1.508 1.00 25.21 O ATOM 202 CG2 THR A 15 4.281 1.557 3.644 1.00 14.01 C ATOM 203 H THR A 15 1.736 -0.614 3.676 1.00 71.44 H ATOM 204 HA THR A 15 4.198 -1.567 2.316 1.00 61.05 H ATOM 205 HB THR A 15 2.988 0.766 2.083 1.00 72.41 H ATOM 206 HG1 THR A 15 5.008 1.406 1.086 1.00 65.11 H ATOM 207 HG21 THR A 15 5.311 1.421 3.984 1.00 2.42 H ATOM 208 HG22 THR A 15 3.611 1.440 4.502 1.00 73.43 H ATOM 209 HG23 THR A 15 4.186 2.579 3.252 1.00 52.03 H ATOM 210 N PRO A 16 5.761 -1.705 4.458 1.00 63.02 N ATOM 211 CA PRO A 16 6.397 -1.921 5.752 1.00 45.24 C ATOM 212 C PRO A 16 6.994 -0.653 6.325 1.00 13.25 C ATOM 213 O PRO A 16 7.137 -0.587 7.535 1.00 21.02 O ATOM 214 CB PRO A 16 7.501 -2.923 5.330 1.00 34.01 C ATOM 215 CG PRO A 16 7.864 -2.516 3.884 1.00 12.01 C ATOM 216 CD PRO A 16 6.497 -2.127 3.271 1.00 55.11 C ATOM 217 HA PRO A 16 5.715 -2.391 6.481 1.00 64.42 H ATOM 218 HB2 PRO A 16 8.369 -2.929 6.010 1.00 4.52 H ATOM 219 HB3 PRO A 16 7.072 -3.939 5.300 1.00 71.34 H ATOM 220 HG2 PRO A 16 8.544 -1.650 3.916 1.00 53.35 H ATOM 221 HG3 PRO A 16 8.361 -3.324 3.323 1.00 11.43 H ATOM 222 HD2 PRO A 16 6.605 -1.333 2.516 1.00 73.23 H ATOM 223 HD3 PRO A 16 6.020 -3.019 2.830 1.00 55.12 H ATOM 224 N TRP A 17 7.369 0.347 5.494 1.00 15.31 N ATOM 225 CA TRP A 17 8.073 1.526 6.001 1.00 32.34 C ATOM 226 C TRP A 17 7.379 2.116 7.211 1.00 32.05 C ATOM 227 O TRP A 17 8.008 2.204 8.254 1.00 3.25 O ATOM 228 CB TRP A 17 8.254 2.633 4.922 1.00 3.34 C ATOM 229 CG TRP A 17 8.797 2.061 3.637 1.00 12.10 C ATOM 230 CD1 TRP A 17 8.158 1.972 2.460 1.00 5.13 C ATOM 231 CD2 TRP A 17 10.167 1.460 3.441 1.00 32.42 C ATOM 232 NE1 TRP A 17 8.934 1.389 1.584 1.00 73.33 N ATOM 233 CE2 TRP A 17 10.128 1.061 2.118 1.00 34.31 C ATOM 234 CE3 TRP A 17 11.292 1.270 4.240 1.00 51.03 C ATOM 235 CZ2 TRP A 17 11.209 0.424 1.513 1.00 73.23 C ATOM 236 CZ3 TRP A 17 12.388 0.628 3.646 1.00 63.43 C ATOM 237 CH2 TRP A 17 12.347 0.211 2.306 1.00 12.31 C ATOM 238 H TRP A 17 7.241 0.262 4.510 1.00 32.14 H ATOM 239 HA TRP A 17 9.080 1.186 6.293 1.00 50.45 H ATOM 240 HB2 TRP A 17 7.288 3.114 4.708 1.00 11.33 H ATOM 241 HB3 TRP A 17 8.946 3.406 5.291 1.00 52.43 H ATOM 242 HD1 TRP A 17 7.145 2.326 2.268 1.00 25.34 H ATOM 243 HE1 TRP A 17 8.666 1.197 0.606 1.00 21.41 H ATOM 244 HE3 TRP A 17 11.320 1.605 5.270 1.00 11.35 H ATOM 245 HZ2 TRP A 17 11.170 0.107 0.477 1.00 62.42 H ATOM 246 HZ3 TRP A 17 13.283 0.452 4.234 1.00 23.23 H ATOM 247 HH2 TRP A 17 13.210 -0.285 1.874 1.00 51.45 H ATOM 248 N ALA A 18 6.090 2.513 7.089 1.00 72.02 N ATOM 249 CA ALA A 18 5.354 3.072 8.222 1.00 45.22 C ATOM 250 C ALA A 18 4.341 2.047 8.669 1.00 24.21 C ATOM 251 O ALA A 18 3.859 1.320 7.815 1.00 11.31 O ATOM 252 CB ALA A 18 4.618 4.373 7.812 1.00 41.04 C ATOM 253 H ALA A 18 5.587 2.396 6.232 1.00 73.10 H ATOM 254 HA ALA A 18 6.029 3.330 9.054 1.00 2.12 H ATOM 255 HB1 ALA A 18 4.061 4.788 8.667 1.00 4.23 H ATOM 256 HB2 ALA A 18 5.345 5.124 7.464 1.00 60.02 H ATOM 257 HB3 ALA A 18 3.910 4.167 6.996 1.00 71.21 H ATOM 258 N CYS A 19 4.010 1.976 9.981 1.00 3.34 N ATOM 259 CA CYS A 19 3.060 0.974 10.460 1.00 44.44 C ATOM 260 C CYS A 19 2.254 1.551 11.587 1.00 0.00 C ATOM 261 O CYS A 19 2.018 0.872 12.585 1.00 0.00 O ATOM 262 CB CYS A 19 3.811 -0.318 10.886 1.00 3.42 C ATOM 263 SG CYS A 19 4.702 -1.045 9.469 1.00 75.44 S ATOM 264 OXT CYS A 19 1.793 2.800 11.506 1.00 0.00 O ATOM 265 H CYS A 19 4.436 2.582 10.657 1.00 73.13 H ATOM 266 HA CYS A 19 2.323 0.741 9.679 1.00 75.42 H ATOM 267 HB2 CYS A 19 4.549 -0.056 11.657 1.00 64.25 H ATOM 268 HB3 CYS A 19 3.116 -1.066 11.298 1.00 14.15 H ATOM 269 HXT CYS A 19 1.304 3.005 12.306 1.00 0.00 H TER 270 CYS A 19 ENDMDL CONECT 1 112 CONECT 77 263 CONECT 112 1 CONECT 263 77 MASTER 178 0 0 0 0 0 0 6 144 1 4 2 END