HEADER HYDROLASE INHIBITOR 13-JAN-09 SMS20066 TITLE DESIGN, SYNTHESIS, BIOLOGICAL EVALUATION, AND STRUCTURAL TITLE 2 CHARACTERIZATION OF POTENT HISTONE DEACETYLASE INHIBITORS BASED ON TITLE 3 CYCLIC ALPHA/BETA-TETRAPEPTIDE ARCHITECTURES COMPND MOL_ID: 1; COMPND 2 MOLECULE: CYCLO[TRP-BLEU-ALA-AOD]; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT; SOURCE 4 ORGANISM_TAXID: 32630; SOURCE 5 OTHER_DETAILS: PREPARED VIA STANDARD SOLID-PHASE PEPTIDE SYNTHESIS SOURCE 6 PROCEDURES KEYWDS BETA AMINO ACID, DRUG DESIGN, CYCLIC TETRAPEPTIDES, HISTONE KEYWDS 2 DEACETYLASE, STRUCTURE-ACTIVITY RELATIONSHIP, HISTONE DEACETYLASE KEYWDS 3 INHIBITOR, HYDROLASE INHIBITOR EXPDTA SOLUTION NMR NUMMDL 36 AUTHOR J.M.BEIERLE JRNL AUTH A.MONTERO,J.M.BEIERLE,C.A.OLSEN,M.R.GHADIRI JRNL TITL DESIGN, SYNTHESIS, BIOLOGICAL EVALUATION, AND STRUCTURAL JRNL TITL 2 CHARACTERIZATION OF POTENT HISTONE DEACETYLASE INHIBITORS JRNL TITL 3 BASED ON CYCLIC ALPHA/BETA-TETRAPEPTIDE ARCHITECTURES JRNL REF J.AM.CHEM.SOC. V. 131 3033 2009 JRNL REFN ISSN 0002-7863 JRNL PMID 19239270 JRNL DOI 10.1021/JA809508F REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE-KUNSTLEVE, REMARK 3 JIANG,KUSZEWSKI,NILGES,PANNU,READ,RICE,SIMONSON,WARREN 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 10-NOV-10. REMARK 100 THE BMRB ID CODE IS SMS20066. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : NULL REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : 1-10MM CYCLO[TRP-BLEU-ALA-AOD]; REMARK 210 DMSO-D6 REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D 1H-1H TOCSY; 2D 1H-1H ROESY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : DRX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : CNS REMARK 210 METHOD USED : DGSA-DISTANCE GEOMETRY SIMULATED REMARK 210 ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 50 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 36 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LEAST REMARK 210 RESTRAINT VIOLATIONS 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: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 H1 TRP A 1 C UVR A 4 2.00 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 B3L A 2 -80.19 -41.91 REMARK 500 2 B3L A 2 -79.28 -67.07 REMARK 500 4 B3L A 2 -80.14 -42.37 REMARK 500 5 B3L A 2 -80.98 -42.31 REMARK 500 6 B3L A 2 -79.94 -61.51 REMARK 500 7 B3L A 2 -79.73 -42.81 REMARK 500 9 B3L A 2 -79.48 -67.41 REMARK 500 10 B3L A 2 -79.28 -66.34 REMARK 500 11 B3L A 2 -80.34 -41.78 REMARK 500 13 B3L A 2 -80.09 -42.31 REMARK 500 14 B3L A 2 -80.03 -42.48 REMARK 500 17 B3L A 2 -79.51 -65.28 REMARK 500 19 B3L A 2 -78.31 -69.80 REMARK 500 20 B3L A 2 -79.30 -66.35 REMARK 500 21 B3L A 2 -79.81 -67.14 REMARK 500 22 B3L A 2 -79.60 -42.70 REMARK 500 24 B3L A 2 -79.25 -65.17 REMARK 500 25 B3L A 2 -79.10 -68.06 REMARK 500 26 B3L A 2 -76.95 -53.75 REMARK 500 27 B3L A 2 -79.20 -69.07 REMARK 500 28 B3L A 2 -80.01 -42.24 REMARK 500 29 B3L A 2 -79.62 -58.42 REMARK 500 30 B3L A 2 -80.46 -41.93 REMARK 500 31 B3L A 2 -79.86 -42.59 REMARK 500 34 B3L A 2 -79.24 -42.30 REMARK 500 35 B3L A 2 -79.46 -67.39 REMARK 500 36 B3L A 2 -78.80 -59.57 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS REMARK 500 REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH REMARK 500 CIS AND TRANS CONFORMATION. CIS BONDS, IF ANY, ARE LISTED REMARK 500 ON CISPEP RECORDS. TRANS IS DEFINED AS 180 +/- 30 AND REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES. REMARK 500 MODEL OMEGA REMARK 500 TRP A 1 B3L A 2 1 128.75 REMARK 500 TRP A 1 B3L A 2 2 131.29 REMARK 500 TRP A 1 B3L A 2 3 124.08 REMARK 500 TRP A 1 B3L A 2 4 129.08 REMARK 500 TRP A 1 B3L A 2 5 128.82 REMARK 500 TRP A 1 B3L A 2 6 135.15 REMARK 500 TRP A 1 B3L A 2 7 128.55 REMARK 500 TRP A 1 B3L A 2 8 126.39 REMARK 500 TRP A 1 B3L A 2 9 130.83 REMARK 500 TRP A 1 B3L A 2 10 130.80 REMARK 500 TRP A 1 B3L A 2 11 128.72 REMARK 500 TRP A 1 B3L A 2 12 126.64 REMARK 500 TRP A 1 B3L A 2 13 128.60 REMARK 500 TRP A 1 B3L A 2 14 128.36 REMARK 500 TRP A 1 B3L A 2 15 125.28 REMARK 500 TRP A 1 B3L A 2 16 124.25 REMARK 500 TRP A 1 B3L A 2 17 131.24 REMARK 500 TRP A 1 B3L A 2 18 126.85 REMARK 500 TRP A 1 B3L A 2 19 132.60 REMARK 500 TRP A 1 B3L A 2 20 130.43 REMARK 500 TRP A 1 B3L A 2 21 131.37 REMARK 500 TRP A 1 B3L A 2 22 128.89 REMARK 500 TRP A 1 B3L A 2 23 127.09 REMARK 500 TRP A 1 B3L A 2 24 129.88 REMARK 500 TRP A 1 B3L A 2 25 132.29 REMARK 500 TRP A 1 B3L A 2 26 122.72 REMARK 500 TRP A 1 B3L A 2 27 132.07 REMARK 500 TRP A 1 B3L A 2 28 128.56 REMARK 500 TRP A 1 B3L A 2 29 126.51 REMARK 500 TRP A 1 B3L A 2 30 128.72 REMARK 500 TRP A 1 B3L A 2 31 128.76 REMARK 500 TRP A 1 B3L A 2 32 124.86 REMARK 500 TRP A 1 B3L A 2 33 126.73 REMARK 500 TRP A 1 B3L A 2 34 129.05 REMARK 500 TRP A 1 B3L A 2 35 130.72 REMARK 500 TRP A 1 B3L A 2 36 130.17 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: MAIN CHAIN PLANARITY REMARK 500 REMARK 500 THE FOLLOWING RESIDUES HAVE A PSEUDO PLANARITY REMARK 500 TORSION ANGLE, C(I) - CA(I) - N(I+1) - O(I), GREATER REMARK 500 10.0 DEGREES. (M=MODEL NUMBER; RES=RESIDUE NAME; REMARK 500 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 500 I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI ANGLE REMARK 500 3 TRP A 1 -11.35 REMARK 500 5 B3L A 2 10.08 REMARK 500 8 TRP A 1 -11.43 REMARK 500 11 B3L A 2 10.03 REMARK 500 12 TRP A 1 -11.45 REMARK 500 14 B3L A 2 10.00 REMARK 500 15 TRP A 1 -11.07 REMARK 500 16 TRP A 1 -11.39 REMARK 500 18 TRP A 1 -11.54 REMARK 500 23 TRP A 1 -11.54 REMARK 500 26 TRP A 1 -11.20 REMARK 500 29 TRP A 1 -10.08 REMARK 500 30 B3L A 2 10.06 REMARK 500 32 TRP A 1 -11.21 REMARK 500 33 TRP A 1 -11.43 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CHIRAL CENTERS REMARK 500 REMARK 500 UNEXPECTED CONFIGURATION OF THE FOLLOWING CHIRAL REMARK 500 CENTER(S) USING IMPROPER CA--C--CB--N CHIRALITY REMARK 500 FOR AMINO ACIDS AND C1'--O4'--N1(N9)--C2' FOR REMARK 500 NUCLEIC ACIDS OR EQUIVALENT ANGLE REMARK 500 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,A1,6X,F5.1,6X,A1,10X,A1,3X,A16) REMARK 500 REMARK 500 M RES CSSEQI IMPROPER EXPECTED FOUND DETAILS REMARK 500 1 B3L A 2 -137.0 L D WRONG HAND REMARK 500 2 B3L A 2 -138.9 L D WRONG HAND REMARK 500 3 B3L A 2 -143.2 L D WRONG HAND REMARK 500 4 B3L A 2 -136.9 L D WRONG HAND REMARK 500 5 B3L A 2 -137.3 L D WRONG HAND REMARK 500 6 B3L A 2 -139.7 L D WRONG HAND REMARK 500 7 B3L A 2 -136.8 L D WRONG HAND REMARK 500 8 B3L A 2 -143.3 L D WRONG HAND REMARK 500 9 B3L A 2 -139.1 L D WRONG HAND REMARK 500 10 B3L A 2 -139.0 L D WRONG HAND REMARK 500 11 B3L A 2 -136.8 L D WRONG HAND REMARK 500 12 B3L A 2 -143.4 L D WRONG HAND REMARK 500 13 B3L A 2 -136.8 L D WRONG HAND REMARK 500 14 B3L A 2 -136.8 L D WRONG HAND REMARK 500 15 B3L A 2 -143.4 L D WRONG HAND REMARK 500 16 B3L A 2 -142.9 L D WRONG HAND REMARK 500 17 B3L A 2 -139.3 L D WRONG HAND REMARK 500 18 B3L A 2 -143.7 L D WRONG HAND REMARK 500 19 B3L A 2 -138.8 L D WRONG HAND REMARK 500 20 B3L A 2 -138.9 L D WRONG HAND REMARK 500 21 B3L A 2 -139.4 L D WRONG HAND REMARK 500 22 B3L A 2 -136.7 L D WRONG HAND REMARK 500 23 B3L A 2 -143.7 L D WRONG HAND REMARK 500 24 B3L A 2 -138.9 L D WRONG HAND REMARK 500 25 B3L A 2 -139.2 L D WRONG HAND REMARK 500 26 B3L A 2 -136.6 L D WRONG HAND REMARK 500 27 B3L A 2 -139.2 L D WRONG HAND REMARK 500 28 B3L A 2 -136.8 L D WRONG HAND REMARK 500 29 B3L A 2 -138.0 L D WRONG HAND REMARK 500 30 B3L A 2 -137.0 L D WRONG HAND REMARK 500 31 B3L A 2 -136.6 L D WRONG HAND REMARK 500 32 B3L A 2 -143.1 L D WRONG HAND REMARK 500 33 B3L A 2 -143.3 L D WRONG HAND REMARK 500 34 B3L A 2 -136.4 L D WRONG HAND REMARK 500 35 B3L A 2 -139.1 L D WRONG HAND REMARK 500 36 B3L A 2 -137.8 L D WRONG HAND REMARK 500 REMARK 500 REMARK: NULL REMARK 600 REMARK 600 HETEROGEN REMARK 600 UVR IS USED FOR RESIDUE WHICH IS UNDEFINED IN THE CHEMICAL REMARK 600 COMPONENT DICTIONARY BY THE PDB AT THE TIME OF PROCESSING. REMARK 600 IN THIS ENTRY, UVR 4 IS USED FOR (2S)-2-AMINO-8-OXODECANOIC REMARK 600 ACID (S-AODA). REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 20066 RELATED DB: BMRB REMARK 900 RELATED ID: 20064 RELATED DB: BMRB REMARK 900 CYCLO[ALA-AOD-BTRP-LEU] REMARK 900 RELATED ID: 20065 RELATED DB: BMRB REMARK 900 CYCLO[TRP-LEU-BALA-AOD] REMARK 900 RELATED ID: 20067 RELATED DB: BMRB REMARK 900 CYCLO[NMETRP-BLEU-ALA-AOD] REMARK 900 RELATED ID: 20068 RELATED DB: BMRB REMARK 900 CYCLO[TRP-BLEU-PRO-AOD] REMARK 900 RELATED ID: 20069 RELATED DB: BMRB REMARK 900 CYCLO[TRP-BLEU-BALA-AOD] REMARK 900 RELATED ID: 20070 RELATED DB: BMRB REMARK 900 CYCLO[BTRP-BLEU-ALA-AOD] DBREF A 1 4 BMRB SMS20064 SMS20064 1 4 SEQRES 1 A 4 TRP B3L ALA UVR HET B3L A 2 22 HET UVR A 4 30 HETNAM B3L (3S)-3-AMINO-5-METHYLHEXANOIC ACID HETSYN B3L (S)-BETA-3-HOMOLEUCINE FORMUL 1 B3L C7 H15 N O2 FORMUL 1 UVR LINK N TRP A 1 C UVR A 4 1555 1555 1.33 LINK C TRP A 1 N B3L A 2 1555 1555 1.33 LINK C B3L A 2 N ALA A 3 1555 1555 1.33 LINK C ALA A 3 N UVR A 4 1555 1555 1.33 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 TRP A 1 8.466 -0.467 0.089 1.00 0.00 N ATOM 2 CA TRP A 1 7.656 -0.974 -1.016 1.00 0.00 C ATOM 3 C TRP A 1 6.785 0.146 -1.575 1.00 0.00 C ATOM 4 O TRP A 1 7.159 0.793 -2.553 1.00 0.00 O ATOM 5 CB TRP A 1 6.776 -2.153 -0.569 1.00 0.00 C ATOM 6 CG TRP A 1 6.816 -2.421 0.907 1.00 0.00 C ATOM 7 CD1 TRP A 1 6.116 -1.766 1.878 1.00 0.00 C ATOM 8 CD2 TRP A 1 7.597 -3.418 1.575 1.00 0.00 C ATOM 9 NE1 TRP A 1 6.413 -2.295 3.112 1.00 0.00 N ATOM 10 CE2 TRP A 1 7.320 -3.310 2.952 1.00 0.00 C ATOM 11 CE3 TRP A 1 8.503 -4.392 1.145 1.00 0.00 C ATOM 12 CZ2 TRP A 1 7.917 -4.138 3.899 1.00 0.00 C ATOM 13 CZ3 TRP A 1 9.094 -5.214 2.087 1.00 0.00 C ATOM 14 CH2 TRP A 1 8.800 -5.083 3.449 1.00 0.00 C ATOM 15 H1 TRP A 1 8.032 -0.289 0.950 1.00 0.00 H ATOM 16 HA TRP A 1 8.327 -1.308 -1.792 1.00 0.00 H ATOM 17 HB2 TRP A 1 5.752 -1.951 -0.840 1.00 0.00 H ATOM 18 HB3 TRP A 1 7.106 -3.047 -1.079 1.00 0.00 H ATOM 19 HD1 TRP A 1 5.432 -0.952 1.691 1.00 0.00 H ATOM 20 HE1 TRP A 1 6.037 -1.994 3.965 1.00 0.00 H ATOM 21 HE3 TRP A 1 8.742 -4.508 0.099 1.00 0.00 H ATOM 22 HZ2 TRP A 1 7.700 -4.051 4.953 1.00 0.00 H ATOM 23 HZ3 TRP A 1 9.797 -5.971 1.772 1.00 0.00 H ATOM 24 HH2 TRP A 1 9.286 -5.746 4.149 1.00 0.00 H HETATM 25 O B3L A 2 7.234 4.518 -0.567 1.00 0.00 O HETATM 26 C B3L A 2 6.757 3.610 0.114 1.00 0.00 C HETATM 27 CA B3L A 2 5.347 3.140 -0.082 1.00 0.00 C HETATM 28 CB B3L A 2 5.205 1.863 -0.958 1.00 0.00 C HETATM 29 N B3L A 2 5.828 0.578 -0.760 1.00 0.00 N HETATM 30 CG B3L A 2 3.748 1.869 -0.465 1.00 0.00 C HETATM 31 CD B3L A 2 2.865 0.782 -1.079 1.00 0.00 C HETATM 32 CE2 B3L A 2 1.580 0.627 -0.281 1.00 0.00 C HETATM 33 CE1 B3L A 2 2.557 1.105 -2.533 1.00 0.00 C HETATM 34 HA B3L A 2 4.784 3.946 -0.528 1.00 0.00 H HETATM 35 HAA B3L A 2 4.948 2.923 0.898 1.00 0.00 H HETATM 36 HB B3L A 2 5.157 2.071 -1.998 1.00 0.00 H HETATM 37 HN B3L A 2 5.758 0.188 0.118 1.00 0.00 H HETATM 38 HG B3L A 2 3.302 2.827 -0.695 1.00 0.00 H HETATM 39 HGA B3L A 2 3.744 1.731 0.609 1.00 0.00 H HETATM 40 HD B3L A 2 3.393 -0.161 -1.049 1.00 0.00 H HETATM 41 H3E2 B3L A 2 1.742 0.962 0.733 1.00 0.00 H HETATM 42 H2E2 B3L A 2 1.284 -0.411 -0.275 1.00 0.00 H HETATM 43 H1E2 B3L A 2 0.800 1.221 -0.735 1.00 0.00 H HETATM 44 H3E1 B3L A 2 1.589 1.580 -2.600 1.00 0.00 H HETATM 45 H2E1 B3L A 2 2.551 0.194 -3.111 1.00 0.00 H HETATM 46 H1E1 B3L A 2 3.312 1.773 -2.921 1.00 0.00 H ATOM 47 N ALA A 3 7.249 3.259 1.298 1.00 0.00 N ATOM 48 CA ALA A 3 8.445 3.868 1.827 1.00 0.00 C ATOM 49 C ALA A 3 9.644 2.982 1.510 1.00 0.00 C ATOM 50 O ALA A 3 10.650 3.448 0.974 1.00 0.00 O ATOM 51 CB ALA A 3 8.318 4.092 3.326 1.00 0.00 C ATOM 52 H ALA A 3 6.951 2.431 1.694 1.00 0.00 H ATOM 53 HA ALA A 3 8.566 4.814 1.346 1.00 0.00 H ATOM 54 HB1 ALA A 3 9.262 4.438 3.720 1.00 0.00 H ATOM 55 HB2 ALA A 3 8.046 3.165 3.808 1.00 0.00 H ATOM 56 HB3 ALA A 3 7.556 4.833 3.516 1.00 0.00 H HETATM 57 N UVR A 4 9.416 1.674 1.610 1.00 0.00 N HETATM 58 HN UVR A 4 8.531 1.373 1.900 1.00 0.00 H HETATM 59 CA UVR A 4 10.349 0.685 1.085 1.00 0.00 C HETATM 60 HA UVR A 4 11.231 1.206 0.746 1.00 0.00 H HETATM 61 CB UVR A 4 10.742 -0.312 2.177 1.00 0.00 C HETATM 62 HB1 UVR A 4 11.516 -0.961 1.795 1.00 0.00 H HETATM 63 HB2 UVR A 4 9.879 -0.908 2.432 1.00 0.00 H HETATM 64 CG UVR A 4 11.256 0.347 3.446 1.00 0.00 C HETATM 65 HG1 UVR A 4 11.818 1.231 3.179 1.00 0.00 H HETATM 66 HG2 UVR A 4 11.899 -0.347 3.966 1.00 0.00 H HETATM 67 CD UVR A 4 10.115 0.747 4.368 1.00 0.00 C HETATM 68 HD1 UVR A 4 9.917 -0.064 5.052 1.00 0.00 H HETATM 69 HD2 UVR A 4 9.236 0.940 3.772 1.00 0.00 H HETATM 70 CE UVR A 4 10.454 1.995 5.165 1.00 0.00 C HETATM 71 HE1 UVR A 4 10.037 2.856 4.664 1.00 0.00 H HETATM 72 HE2 UVR A 4 11.528 2.094 5.220 1.00 0.00 H HETATM 73 CF UVR A 4 9.893 1.925 6.577 1.00 0.00 C HETATM 74 HF1 UVR A 4 8.861 1.617 6.535 1.00 0.00 H HETATM 75 HF2 UVR A 4 9.969 2.900 7.037 1.00 0.00 H HETATM 76 CX UVR A 4 10.678 0.920 7.385 1.00 0.00 C HETATM 77 OX UVR A 4 11.872 0.742 7.153 1.00 0.00 O HETATM 78 CY UVR A 4 9.995 0.134 8.479 1.00 0.00 C HETATM 79 HY1 UVR A 4 8.939 0.350 8.480 1.00 0.00 H HETATM 80 HY2 UVR A 4 10.429 0.389 9.436 1.00 0.00 H HETATM 81 CZ UVR A 4 10.181 -1.348 8.238 1.00 0.00 C HETATM 82 HZ1 UVR A 4 9.398 -1.989 8.616 1.00 0.00 H HETATM 83 HZ2 UVR A 4 11.126 -1.787 8.519 1.00 0.00 H HETATM 84 HZ3 UVR A 4 9.941 -1.698 7.245 1.00 0.00 H HETATM 85 C UVR A 4 9.718 -0.051 -0.095 1.00 0.00 C HETATM 86 O UVR A 4 10.273 -0.068 -1.193 1.00 0.00 O TER 87 UVR A 4 ENDMDL MODEL 2 ATOM 1 N TRP A 1 8.442 -0.531 0.004 1.00 0.00 N ATOM 2 CA TRP A 1 7.703 -1.073 -1.135 1.00 0.00 C ATOM 3 C TRP A 1 6.665 -0.062 -1.624 1.00 0.00 C ATOM 4 O TRP A 1 6.684 0.328 -2.792 1.00 0.00 O ATOM 5 CB TRP A 1 7.048 -2.418 -0.770 1.00 0.00 C ATOM 6 CG TRP A 1 5.644 -2.314 -0.246 1.00 0.00 C ATOM 7 CD1 TRP A 1 5.229 -1.652 0.874 1.00 0.00 C ATOM 8 CD2 TRP A 1 4.472 -2.906 -0.819 1.00 0.00 C ATOM 9 NE1 TRP A 1 3.870 -1.790 1.027 1.00 0.00 N ATOM 10 CE2 TRP A 1 3.382 -2.556 0.002 1.00 0.00 C ATOM 11 CE3 TRP A 1 4.236 -3.695 -1.950 1.00 0.00 C ATOM 12 CZ2 TRP A 1 2.079 -2.968 -0.272 1.00 0.00 C ATOM 13 CZ3 TRP A 1 2.943 -4.104 -2.219 1.00 0.00 C ATOM 14 CH2 TRP A 1 1.880 -3.740 -1.384 1.00 0.00 C ATOM 15 H1 TRP A 1 7.996 -0.470 0.875 1.00 0.00 H ATOM 16 HA TRP A 1 8.415 -1.239 -1.931 1.00 0.00 H ATOM 17 HB2 TRP A 1 7.023 -3.043 -1.649 1.00 0.00 H ATOM 18 HB3 TRP A 1 7.649 -2.902 -0.014 1.00 0.00 H ATOM 19 HD1 TRP A 1 5.883 -1.101 1.531 1.00 0.00 H ATOM 20 HE1 TRP A 1 3.338 -1.403 1.754 1.00 0.00 H ATOM 21 HE3 TRP A 1 5.043 -3.986 -2.605 1.00 0.00 H ATOM 22 HZ2 TRP A 1 1.249 -2.696 0.362 1.00 0.00 H ATOM 23 HZ3 TRP A 1 2.743 -4.715 -3.087 1.00 0.00 H ATOM 24 HH2 TRP A 1 0.886 -4.083 -1.632 1.00 0.00 H HETATM 25 O B3L A 2 7.301 4.546 -0.559 1.00 0.00 O HETATM 26 C B3L A 2 6.790 3.675 0.146 1.00 0.00 C HETATM 27 CA B3L A 2 5.405 3.164 -0.110 1.00 0.00 C HETATM 28 CB B3L A 2 5.346 1.844 -0.931 1.00 0.00 C HETATM 29 N B3L A 2 6.022 0.597 -0.665 1.00 0.00 N HETATM 30 CG B3L A 2 3.874 1.803 -0.489 1.00 0.00 C HETATM 31 CD B3L A 2 3.050 0.690 -1.137 1.00 0.00 C HETATM 32 CE2 B3L A 2 1.635 0.677 -0.579 1.00 0.00 C HETATM 33 CE1 B3L A 2 3.028 0.856 -2.648 1.00 0.00 C HETATM 34 HA B3L A 2 4.854 3.935 -0.631 1.00 0.00 H HETATM 35 HAA B3L A 2 4.952 2.989 0.853 1.00 0.00 H HETATM 36 HB B3L A 2 5.330 2.013 -1.977 1.00 0.00 H HETATM 37 HN B3L A 2 6.256 0.419 0.254 1.00 0.00 H HETATM 38 HG B3L A 2 3.405 2.747 -0.734 1.00 0.00 H HETATM 39 HGA B3L A 2 3.837 1.663 0.583 1.00 0.00 H HETATM 40 HD B3L A 2 3.506 -0.263 -0.911 1.00 0.00 H HETATM 41 H3E2 B3L A 2 1.642 0.244 0.410 1.00 0.00 H HETATM 42 H2E2 B3L A 2 0.998 0.090 -1.225 1.00 0.00 H HETATM 43 H1E2 B3L A 2 1.260 1.689 -0.527 1.00 0.00 H HETATM 44 H3E1 B3L A 2 2.540 1.786 -2.902 1.00 0.00 H HETATM 45 H2E1 B3L A 2 2.488 0.033 -3.094 1.00 0.00 H HETATM 46 H1E1 B3L A 2 4.040 0.868 -3.025 1.00 0.00 H ATOM 47 N ALA A 3 7.242 3.367 1.355 1.00 0.00 N ATOM 48 CA ALA A 3 8.458 3.945 1.869 1.00 0.00 C ATOM 49 C ALA A 3 9.626 3.007 1.569 1.00 0.00 C ATOM 50 O ALA A 3 10.689 3.444 1.130 1.00 0.00 O ATOM 51 CB ALA A 3 8.342 4.207 3.363 1.00 0.00 C ATOM 52 H ALA A 3 6.923 2.554 1.767 1.00 0.00 H ATOM 53 HA ALA A 3 8.611 4.875 1.366 1.00 0.00 H ATOM 54 HB1 ALA A 3 9.225 4.724 3.708 1.00 0.00 H ATOM 55 HB2 ALA A 3 8.246 3.268 3.887 1.00 0.00 H ATOM 56 HB3 ALA A 3 7.470 4.815 3.555 1.00 0.00 H HETATM 57 N UVR A 4 9.326 1.706 1.591 1.00 0.00 N HETATM 58 HN UVR A 4 8.414 1.438 1.824 1.00 0.00 H HETATM 59 CA UVR A 4 10.244 0.690 1.092 1.00 0.00 C HETATM 60 HA UVR A 4 11.165 1.181 0.817 1.00 0.00 H HETATM 61 CB UVR A 4 10.534 -0.349 2.178 1.00 0.00 C HETATM 62 HB1 UVR A 4 11.363 -0.964 1.858 1.00 0.00 H HETATM 63 HB2 UVR A 4 9.662 -0.974 2.302 1.00 0.00 H HETATM 64 CG UVR A 4 10.884 0.257 3.526 1.00 0.00 C HETATM 65 HG1 UVR A 4 11.436 1.172 3.367 1.00 0.00 H HETATM 66 HG2 UVR A 4 11.494 -0.443 4.078 1.00 0.00 H HETATM 67 CD UVR A 4 9.636 0.568 4.337 1.00 0.00 C HETATM 68 HD1 UVR A 4 8.822 0.778 3.659 1.00 0.00 H HETATM 69 HD2 UVR A 4 9.825 1.433 4.954 1.00 0.00 H HETATM 70 CE UVR A 4 9.245 -0.599 5.232 1.00 0.00 C HETATM 71 HE1 UVR A 4 8.542 -0.250 5.974 1.00 0.00 H HETATM 72 HE2 UVR A 4 10.131 -0.976 5.722 1.00 0.00 H HETATM 73 CF UVR A 4 8.605 -1.725 4.433 1.00 0.00 C HETATM 74 HF1 UVR A 4 9.365 -2.437 4.152 1.00 0.00 H HETATM 75 HF2 UVR A 4 8.139 -1.312 3.549 1.00 0.00 H HETATM 76 CX UVR A 4 7.565 -2.420 5.279 1.00 0.00 C HETATM 77 OX UVR A 4 7.698 -2.467 6.501 1.00 0.00 O HETATM 78 CY UVR A 4 6.362 -3.057 4.624 1.00 0.00 C HETATM 79 HY1 UVR A 4 6.149 -4.003 5.097 1.00 0.00 H HETATM 80 HY2 UVR A 4 6.555 -3.201 3.571 1.00 0.00 H HETATM 81 CZ UVR A 4 5.157 -2.159 4.785 1.00 0.00 C HETATM 82 HZ1 UVR A 4 4.302 -2.399 4.168 1.00 0.00 H HETATM 83 HZ2 UVR A 4 5.313 -1.093 4.723 1.00 0.00 H HETATM 84 HZ3 UVR A 4 4.540 -2.346 5.652 1.00 0.00 H HETATM 85 C UVR A 4 9.655 0.007 -0.142 1.00 0.00 C HETATM 86 O UVR A 4 10.224 0.079 -1.231 1.00 0.00 O TER 87 UVR A 4 ENDMDL MODEL 3 ATOM 1 N TRP A 1 8.424 -0.651 -0.017 1.00 0.00 N ATOM 2 CA TRP A 1 7.738 -1.042 -1.246 1.00 0.00 C ATOM 3 C TRP A 1 6.888 0.125 -1.733 1.00 0.00 C ATOM 4 O TRP A 1 7.329 0.886 -2.594 1.00 0.00 O ATOM 5 CB TRP A 1 6.860 -2.285 -1.030 1.00 0.00 C ATOM 6 CG TRP A 1 6.627 -2.630 0.413 1.00 0.00 C ATOM 7 CD1 TRP A 1 5.671 -2.109 1.237 1.00 0.00 C ATOM 8 CD2 TRP A 1 7.365 -3.572 1.199 1.00 0.00 C ATOM 9 NE1 TRP A 1 5.769 -2.670 2.487 1.00 0.00 N ATOM 10 CE2 TRP A 1 6.801 -3.571 2.489 1.00 0.00 C ATOM 11 CE3 TRP A 1 8.447 -4.418 0.937 1.00 0.00 C ATOM 12 CZ2 TRP A 1 7.285 -4.382 3.513 1.00 0.00 C ATOM 13 CZ3 TRP A 1 8.925 -5.222 1.954 1.00 0.00 C ATOM 14 CH2 TRP A 1 8.344 -5.200 3.228 1.00 0.00 C ATOM 15 H1 TRP A 1 7.904 -0.603 0.812 1.00 0.00 H ATOM 16 HA TRP A 1 8.488 -1.260 -1.991 1.00 0.00 H ATOM 17 HB2 TRP A 1 5.897 -2.120 -1.489 1.00 0.00 H ATOM 18 HB3 TRP A 1 7.334 -3.134 -1.502 1.00 0.00 H ATOM 19 HD1 TRP A 1 4.948 -1.364 0.936 1.00 0.00 H ATOM 20 HE1 TRP A 1 5.195 -2.460 3.252 1.00 0.00 H ATOM 21 HE3 TRP A 1 8.908 -4.449 -0.039 1.00 0.00 H ATOM 22 HZ2 TRP A 1 6.847 -4.378 4.501 1.00 0.00 H ATOM 23 HZ3 TRP A 1 9.761 -5.881 1.770 1.00 0.00 H ATOM 24 HH2 TRP A 1 8.751 -5.845 3.993 1.00 0.00 H HETATM 25 O B3L A 2 6.583 2.430 2.218 1.00 0.00 O HETATM 26 C B3L A 2 6.549 2.991 1.121 1.00 0.00 C HETATM 27 CA B3L A 2 5.310 2.846 0.287 1.00 0.00 C HETATM 28 CB B3L A 2 5.422 1.840 -0.891 1.00 0.00 C HETATM 29 N B3L A 2 5.927 0.493 -0.891 1.00 0.00 N HETATM 30 CG B3L A 2 3.887 1.883 -0.912 1.00 0.00 C HETATM 31 CD B3L A 2 3.246 1.075 -2.040 1.00 0.00 C HETATM 32 CE2 B3L A 2 1.731 1.066 -1.897 1.00 0.00 C HETATM 33 CE1 B3L A 2 3.652 1.636 -3.395 1.00 0.00 C HETATM 34 HA B3L A 2 5.047 3.819 -0.101 1.00 0.00 H HETATM 35 HAA B3L A 2 4.530 2.505 0.948 1.00 0.00 H HETATM 36 HB B3L A 2 5.738 2.319 -1.782 1.00 0.00 H HETATM 37 HN B3L A 2 5.822 -0.002 -0.070 1.00 0.00 H HETATM 38 HG B3L A 2 3.566 2.911 -1.015 1.00 0.00 H HETATM 39 HGA B3L A 2 3.516 1.493 0.027 1.00 0.00 H HETATM 40 HD B3L A 2 3.592 0.052 -1.982 1.00 0.00 H HETATM 41 H3E2 B3L A 2 1.277 1.060 -2.877 1.00 0.00 H HETATM 42 H2E2 B3L A 2 1.416 1.948 -1.359 1.00 0.00 H HETATM 43 H1E2 B3L A 2 1.427 0.184 -1.353 1.00 0.00 H HETATM 44 H3E1 B3L A 2 2.973 1.272 -4.152 1.00 0.00 H HETATM 45 H2E1 B3L A 2 4.657 1.318 -3.630 1.00 0.00 H HETATM 46 H1E1 B3L A 2 3.613 2.714 -3.364 1.00 0.00 H ATOM 47 N ALA A 3 7.517 3.833 0.766 1.00 0.00 N ATOM 48 CA ALA A 3 8.608 4.158 1.686 1.00 0.00 C ATOM 49 C ALA A 3 9.639 3.026 1.700 1.00 0.00 C ATOM 50 O ALA A 3 10.843 3.271 1.768 1.00 0.00 O ATOM 51 CB ALA A 3 8.085 4.430 3.092 1.00 0.00 C ATOM 52 H ALA A 3 7.676 3.963 -0.188 1.00 0.00 H ATOM 53 HA ALA A 3 9.088 5.057 1.325 1.00 0.00 H ATOM 54 HB1 ALA A 3 7.011 4.548 3.059 1.00 0.00 H ATOM 55 HB2 ALA A 3 8.535 5.333 3.475 1.00 0.00 H ATOM 56 HB3 ALA A 3 8.336 3.601 3.736 1.00 0.00 H HETATM 57 N UVR A 4 9.160 1.806 1.450 1.00 0.00 N HETATM 58 HN UVR A 4 8.205 1.698 1.293 1.00 0.00 H HETATM 59 CA UVR A 4 10.028 0.655 1.233 1.00 0.00 C HETATM 60 HA UVR A 4 11.042 1.010 1.136 1.00 0.00 H HETATM 61 CB UVR A 4 9.937 -0.303 2.419 1.00 0.00 C HETATM 62 HB1 UVR A 4 10.700 -1.060 2.317 1.00 0.00 H HETATM 63 HB2 UVR A 4 8.967 -0.775 2.407 1.00 0.00 H HETATM 64 CG UVR A 4 10.114 0.378 3.766 1.00 0.00 C HETATM 65 HG1 UVR A 4 10.815 1.193 3.656 1.00 0.00 H HETATM 66 HG2 UVR A 4 10.501 -0.340 4.474 1.00 0.00 H HETATM 67 CD UVR A 4 8.795 0.925 4.286 1.00 0.00 C HETATM 68 HD1 UVR A 4 8.066 0.900 3.489 1.00 0.00 H HETATM 69 HD2 UVR A 4 8.943 1.945 4.608 1.00 0.00 H HETATM 70 CE UVR A 4 8.274 0.109 5.459 1.00 0.00 C HETATM 71 HE1 UVR A 4 9.025 0.093 6.235 1.00 0.00 H HETATM 72 HE2 UVR A 4 8.077 -0.899 5.124 1.00 0.00 H HETATM 73 CF UVR A 4 6.992 0.701 6.024 1.00 0.00 C HETATM 74 HF1 UVR A 4 6.997 1.769 5.874 1.00 0.00 H HETATM 75 HF2 UVR A 4 6.934 0.476 7.080 1.00 0.00 H HETATM 76 CX UVR A 4 5.801 0.107 5.311 1.00 0.00 C HETATM 77 OX UVR A 4 5.904 -0.258 4.142 1.00 0.00 O HETATM 78 CY UVR A 4 4.483 -0.037 6.035 1.00 0.00 C HETATM 79 HY1 UVR A 4 3.800 0.732 5.708 1.00 0.00 H HETATM 80 HY2 UVR A 4 4.644 0.034 7.102 1.00 0.00 H HETATM 81 CZ UVR A 4 3.871 -1.385 5.722 1.00 0.00 C HETATM 82 HZ1 UVR A 4 4.072 -2.172 6.432 1.00 0.00 H HETATM 83 HZ2 UVR A 4 4.031 -1.790 4.733 1.00 0.00 H HETATM 84 HZ3 UVR A 4 2.821 -1.491 5.950 1.00 0.00 H HETATM 85 C UVR A 4 9.618 -0.060 -0.052 1.00 0.00 C HETATM 86 O UVR A 4 10.213 0.164 -1.106 1.00 0.00 O TER 87 UVR A 4 ENDMDL MODEL 4 ATOM 1 N TRP A 1 8.465 -0.473 0.080 1.00 0.00 N ATOM 2 CA TRP A 1 7.665 -0.970 -1.038 1.00 0.00 C ATOM 3 C TRP A 1 6.782 0.149 -1.583 1.00 0.00 C ATOM 4 O TRP A 1 7.140 0.795 -2.567 1.00 0.00 O ATOM 5 CB TRP A 1 6.798 -2.167 -0.617 1.00 0.00 C ATOM 6 CG TRP A 1 6.810 -2.445 0.857 1.00 0.00 C ATOM 7 CD1 TRP A 1 6.057 -1.828 1.815 1.00 0.00 C ATOM 8 CD2 TRP A 1 7.615 -3.412 1.541 1.00 0.00 C ATOM 9 NE1 TRP A 1 6.345 -2.352 3.051 1.00 0.00 N ATOM 10 CE2 TRP A 1 7.299 -3.326 2.909 1.00 0.00 C ATOM 11 CE3 TRP A 1 8.572 -4.344 1.128 1.00 0.00 C ATOM 12 CZ2 TRP A 1 7.905 -4.135 3.867 1.00 0.00 C ATOM 13 CZ3 TRP A 1 9.174 -5.147 2.079 1.00 0.00 C ATOM 14 CH2 TRP A 1 8.838 -5.038 3.434 1.00 0.00 C ATOM 15 H1 TRP A 1 8.028 -0.315 0.942 1.00 0.00 H ATOM 16 HA TRP A 1 8.342 -1.282 -1.816 1.00 0.00 H ATOM 17 HB2 TRP A 1 5.775 -1.982 -0.908 1.00 0.00 H ATOM 18 HB3 TRP A 1 7.153 -3.052 -1.125 1.00 0.00 H ATOM 19 HD1 TRP A 1 5.343 -1.043 1.614 1.00 0.00 H ATOM 20 HE1 TRP A 1 5.935 -2.074 3.896 1.00 0.00 H ATOM 21 HE3 TRP A 1 8.844 -4.441 0.087 1.00 0.00 H ATOM 22 HZ2 TRP A 1 7.658 -4.064 4.915 1.00 0.00 H ATOM 23 HZ3 TRP A 1 9.916 -5.871 1.778 1.00 0.00 H ATOM 24 HH2 TRP A 1 9.334 -5.685 4.143 1.00 0.00 H HETATM 25 O B3L A 2 7.213 4.525 -0.566 1.00 0.00 O HETATM 26 C B3L A 2 6.747 3.612 0.118 1.00 0.00 C HETATM 27 CA B3L A 2 5.339 3.132 -0.068 1.00 0.00 C HETATM 28 CB B3L A 2 5.201 1.856 -0.947 1.00 0.00 C HETATM 29 N B3L A 2 5.836 0.576 -0.755 1.00 0.00 N HETATM 30 CG B3L A 2 3.749 1.850 -0.442 1.00 0.00 C HETATM 31 CD B3L A 2 2.868 0.761 -1.055 1.00 0.00 C HETATM 32 CE2 B3L A 2 1.716 0.420 -0.122 1.00 0.00 C HETATM 33 CE1 B3L A 2 2.344 1.204 -2.413 1.00 0.00 C HETATM 34 HA B3L A 2 4.768 3.936 -0.509 1.00 0.00 H HETATM 35 HAA B3L A 2 4.950 2.911 0.915 1.00 0.00 H HETATM 36 HB B3L A 2 5.144 2.065 -1.984 1.00 0.00 H HETATM 37 HN B3L A 2 5.778 0.184 0.123 1.00 0.00 H HETATM 38 HG B3L A 2 3.294 2.807 -0.664 1.00 0.00 H HETATM 39 HGA B3L A 2 3.752 1.707 0.631 1.00 0.00 H HETATM 40 HD B3L A 2 3.458 -0.132 -1.197 1.00 0.00 H HETATM 41 H3E2 B3L A 2 1.075 -0.311 -0.594 1.00 0.00 H HETATM 42 H2E2 B3L A 2 1.147 1.313 0.089 1.00 0.00 H HETATM 43 H1E2 B3L A 2 2.106 0.015 0.799 1.00 0.00 H HETATM 44 H3E1 B3L A 2 1.789 2.123 -2.304 1.00 0.00 H HETATM 45 H2E1 B3L A 2 1.697 0.438 -2.816 1.00 0.00 H HETATM 46 H1E1 B3L A 2 3.175 1.363 -3.084 1.00 0.00 H ATOM 47 N ALA A 3 7.252 3.262 1.296 1.00 0.00 N ATOM 48 CA ALA A 3 8.452 3.874 1.813 1.00 0.00 C ATOM 49 C ALA A 3 9.648 2.979 1.507 1.00 0.00 C ATOM 50 O ALA A 3 10.649 3.433 0.955 1.00 0.00 O ATOM 51 CB ALA A 3 8.328 4.124 3.309 1.00 0.00 C ATOM 52 H ALA A 3 6.965 2.428 1.690 1.00 0.00 H ATOM 53 HA ALA A 3 8.574 4.811 1.316 1.00 0.00 H ATOM 54 HB1 ALA A 3 9.301 4.351 3.718 1.00 0.00 H ATOM 55 HB2 ALA A 3 7.932 3.242 3.790 1.00 0.00 H ATOM 56 HB3 ALA A 3 7.662 4.957 3.480 1.00 0.00 H HETATM 57 N UVR A 4 9.416 1.672 1.626 1.00 0.00 N HETATM 58 HN UVR A 4 8.532 1.378 1.927 1.00 0.00 H HETATM 59 CA UVR A 4 10.340 0.674 1.103 1.00 0.00 C HETATM 60 HA UVR A 4 11.235 1.184 0.780 1.00 0.00 H HETATM 61 CB UVR A 4 10.700 -0.341 2.190 1.00 0.00 C HETATM 62 HB1 UVR A 4 11.562 -0.906 1.866 1.00 0.00 H HETATM 63 HB2 UVR A 4 9.868 -1.016 2.326 1.00 0.00 H HETATM 64 CG UVR A 4 11.024 0.293 3.533 1.00 0.00 C HETATM 65 HG1 UVR A 4 11.636 1.168 3.370 1.00 0.00 H HETATM 66 HG2 UVR A 4 11.567 -0.421 4.136 1.00 0.00 H HETATM 67 CD UVR A 4 9.760 0.705 4.276 1.00 0.00 C HETATM 68 HD1 UVR A 4 8.899 0.356 3.724 1.00 0.00 H HETATM 69 HD2 UVR A 4 9.732 1.782 4.345 1.00 0.00 H HETATM 70 CE UVR A 4 9.716 0.120 5.680 1.00 0.00 C HETATM 71 HE1 UVR A 4 10.451 -0.669 5.754 1.00 0.00 H HETATM 72 HE2 UVR A 4 8.732 -0.284 5.860 1.00 0.00 H HETATM 73 CF UVR A 4 10.014 1.176 6.734 1.00 0.00 C HETATM 74 HF1 UVR A 4 9.695 0.816 7.698 1.00 0.00 H HETATM 75 HF2 UVR A 4 9.484 2.085 6.484 1.00 0.00 H HETATM 76 CX UVR A 4 11.499 1.448 6.773 1.00 0.00 C HETATM 77 OX UVR A 4 12.038 2.056 5.849 1.00 0.00 O HETATM 78 CY UVR A 4 12.321 0.973 7.948 1.00 0.00 C HETATM 79 HY1 UVR A 4 11.880 1.322 8.868 1.00 0.00 H HETATM 80 HY2 UVR A 4 13.334 1.342 7.855 1.00 0.00 H HETATM 81 CZ UVR A 4 12.352 -0.538 7.973 1.00 0.00 C HETATM 82 HZ1 UVR A 4 11.697 -1.036 7.272 1.00 0.00 H HETATM 83 HZ2 UVR A 4 12.234 -1.026 8.930 1.00 0.00 H HETATM 84 HZ3 UVR A 4 13.188 -1.003 7.472 1.00 0.00 H HETATM 85 C UVR A 4 9.714 -0.039 -0.093 1.00 0.00 C HETATM 86 O UVR A 4 10.271 -0.031 -1.192 1.00 0.00 O TER 87 UVR A 4 ENDMDL MODEL 5 ATOM 1 N TRP A 1 8.465 -0.473 0.081 1.00 0.00 N ATOM 2 CA TRP A 1 7.661 -0.974 -1.034 1.00 0.00 C ATOM 3 C TRP A 1 6.779 0.143 -1.581 1.00 0.00 C ATOM 4 O TRP A 1 7.138 0.788 -2.566 1.00 0.00 O ATOM 5 CB TRP A 1 6.796 -2.171 -0.608 1.00 0.00 C ATOM 6 CG TRP A 1 6.808 -2.446 0.867 1.00 0.00 C ATOM 7 CD1 TRP A 1 6.057 -1.826 1.823 1.00 0.00 C ATOM 8 CD2 TRP A 1 7.611 -3.415 1.552 1.00 0.00 C ATOM 9 NE1 TRP A 1 6.343 -2.350 3.060 1.00 0.00 N ATOM 10 CE2 TRP A 1 7.294 -3.327 2.920 1.00 0.00 C ATOM 11 CE3 TRP A 1 8.566 -4.350 1.140 1.00 0.00 C ATOM 12 CZ2 TRP A 1 7.899 -4.137 3.878 1.00 0.00 C ATOM 13 CZ3 TRP A 1 9.165 -5.153 2.092 1.00 0.00 C ATOM 14 CH2 TRP A 1 8.829 -5.043 3.447 1.00 0.00 C ATOM 15 H1 TRP A 1 8.028 -0.314 0.945 1.00 0.00 H ATOM 16 HA TRP A 1 8.339 -1.288 -1.811 1.00 0.00 H ATOM 17 HB2 TRP A 1 5.773 -1.989 -0.900 1.00 0.00 H ATOM 18 HB3 TRP A 1 7.154 -3.057 -1.114 1.00 0.00 H ATOM 19 HD1 TRP A 1 5.345 -1.039 1.622 1.00 0.00 H ATOM 20 HE1 TRP A 1 5.934 -2.070 3.905 1.00 0.00 H ATOM 21 HE3 TRP A 1 8.838 -4.450 0.100 1.00 0.00 H ATOM 22 HZ2 TRP A 1 7.651 -4.064 4.927 1.00 0.00 H ATOM 23 HZ3 TRP A 1 9.905 -5.880 1.792 1.00 0.00 H ATOM 24 HH2 TRP A 1 9.324 -5.690 4.156 1.00 0.00 H HETATM 25 O B3L A 2 7.241 4.505 -0.580 1.00 0.00 O HETATM 26 C B3L A 2 6.764 3.604 0.111 1.00 0.00 C HETATM 27 CA B3L A 2 5.351 3.135 -0.076 1.00 0.00 C HETATM 28 CB B3L A 2 5.203 1.856 -0.949 1.00 0.00 C HETATM 29 N B3L A 2 5.832 0.572 -0.756 1.00 0.00 N HETATM 30 CG B3L A 2 3.752 1.859 -0.440 1.00 0.00 C HETATM 31 CD B3L A 2 2.864 0.772 -1.048 1.00 0.00 C HETATM 32 CE2 B3L A 2 1.710 0.442 -0.115 1.00 0.00 C HETATM 33 CE1 B3L A 2 2.344 1.208 -2.409 1.00 0.00 C HETATM 34 HA B3L A 2 4.787 3.941 -0.524 1.00 0.00 H HETATM 35 HAA B3L A 2 4.958 2.923 0.905 1.00 0.00 H HETATM 36 HB B3L A 2 5.145 2.062 -1.987 1.00 0.00 H HETATM 37 HN B3L A 2 5.772 0.182 0.123 1.00 0.00 H HETATM 38 HG B3L A 2 3.303 2.816 -0.664 1.00 0.00 H HETATM 39 HGA B3L A 2 3.758 1.720 0.633 1.00 0.00 H HETATM 40 HD B3L A 2 3.450 -0.126 -1.184 1.00 0.00 H HETATM 41 H3E2 B3L A 2 2.097 0.009 0.796 1.00 0.00 H HETATM 42 H2E2 B3L A 2 1.049 -0.264 -0.597 1.00 0.00 H HETATM 43 H1E2 B3L A 2 1.166 1.345 0.119 1.00 0.00 H HETATM 44 H3E1 B3L A 2 3.002 1.958 -2.823 1.00 0.00 H HETATM 45 H2E1 B3L A 2 1.352 1.621 -2.299 1.00 0.00 H HETATM 46 H1E1 B3L A 2 2.308 0.355 -3.071 1.00 0.00 H ATOM 47 N ALA A 3 7.252 3.265 1.299 1.00 0.00 N ATOM 48 CA ALA A 3 8.450 3.876 1.822 1.00 0.00 C ATOM 49 C ALA A 3 9.648 2.983 1.518 1.00 0.00 C ATOM 50 O ALA A 3 10.655 3.442 0.978 1.00 0.00 O ATOM 51 CB ALA A 3 8.321 4.121 3.319 1.00 0.00 C ATOM 52 H ALA A 3 6.949 2.443 1.704 1.00 0.00 H ATOM 53 HA ALA A 3 8.573 4.816 1.330 1.00 0.00 H ATOM 54 HB1 ALA A 3 9.304 4.219 3.753 1.00 0.00 H ATOM 55 HB2 ALA A 3 7.805 3.290 3.776 1.00 0.00 H ATOM 56 HB3 ALA A 3 7.760 5.029 3.487 1.00 0.00 H HETATM 57 N UVR A 4 9.413 1.676 1.622 1.00 0.00 N HETATM 58 HN UVR A 4 8.527 1.379 1.913 1.00 0.00 H HETATM 59 CA UVR A 4 10.340 0.682 1.093 1.00 0.00 C HETATM 60 HA UVR A 4 11.229 1.198 0.762 1.00 0.00 H HETATM 61 CB UVR A 4 10.718 -0.329 2.178 1.00 0.00 C HETATM 62 HB1 UVR A 4 11.536 -0.936 1.819 1.00 0.00 H HETATM 63 HB2 UVR A 4 9.867 -0.965 2.373 1.00 0.00 H HETATM 64 CG UVR A 4 11.143 0.315 3.487 1.00 0.00 C HETATM 65 HG1 UVR A 4 11.698 1.216 3.271 1.00 0.00 H HETATM 66 HG2 UVR A 4 11.769 -0.376 4.031 1.00 0.00 H HETATM 67 CD UVR A 4 9.940 0.672 4.348 1.00 0.00 C HETATM 68 HD1 UVR A 4 9.059 0.705 3.722 1.00 0.00 H HETATM 69 HD2 UVR A 4 10.104 1.641 4.794 1.00 0.00 H HETATM 70 CE UVR A 4 9.724 -0.350 5.453 1.00 0.00 C HETATM 71 HE1 UVR A 4 9.596 -1.326 5.006 1.00 0.00 H HETATM 72 HE2 UVR A 4 8.834 -0.086 6.004 1.00 0.00 H HETATM 73 CF UVR A 4 10.905 -0.394 6.413 1.00 0.00 C HETATM 74 HF1 UVR A 4 10.613 0.044 7.355 1.00 0.00 H HETATM 75 HF2 UVR A 4 11.729 0.163 5.987 1.00 0.00 H HETATM 76 CX UVR A 4 11.325 -1.826 6.643 1.00 0.00 C HETATM 77 OX UVR A 4 11.024 -2.394 7.691 1.00 0.00 O HETATM 78 CY UVR A 4 12.114 -2.560 5.584 1.00 0.00 C HETATM 79 HY1 UVR A 4 12.744 -1.865 5.050 1.00 0.00 H HETATM 80 HY2 UVR A 4 11.435 -3.051 4.900 1.00 0.00 H HETATM 81 CZ UVR A 4 12.996 -3.603 6.233 1.00 0.00 C HETATM 82 HZ1 UVR A 4 13.064 -4.551 5.718 1.00 0.00 H HETATM 83 HZ2 UVR A 4 12.838 -3.814 7.281 1.00 0.00 H HETATM 84 HZ3 UVR A 4 14.059 -3.485 6.083 1.00 0.00 H HETATM 85 C UVR A 4 9.711 -0.037 -0.098 1.00 0.00 C HETATM 86 O UVR A 4 10.262 -0.029 -1.199 1.00 0.00 O TER 87 UVR A 4 ENDMDL MODEL 6 ATOM 1 N TRP A 1 8.467 -0.588 -0.018 1.00 0.00 N ATOM 2 CA TRP A 1 7.724 -1.044 -1.190 1.00 0.00 C ATOM 3 C TRP A 1 6.735 0.028 -1.636 1.00 0.00 C ATOM 4 O TRP A 1 6.787 0.493 -2.775 1.00 0.00 O ATOM 5 CB TRP A 1 6.978 -2.349 -0.888 1.00 0.00 C ATOM 6 CG TRP A 1 6.346 -2.390 0.472 1.00 0.00 C ATOM 7 CD1 TRP A 1 5.266 -1.669 0.904 1.00 0.00 C ATOM 8 CD2 TRP A 1 6.754 -3.201 1.579 1.00 0.00 C ATOM 9 NE1 TRP A 1 4.984 -1.982 2.211 1.00 0.00 N ATOM 10 CE2 TRP A 1 5.881 -2.920 2.648 1.00 0.00 C ATOM 11 CE3 TRP A 1 7.774 -4.138 1.773 1.00 0.00 C ATOM 12 CZ2 TRP A 1 5.997 -3.543 3.889 1.00 0.00 C ATOM 13 CZ3 TRP A 1 7.888 -4.755 3.004 1.00 0.00 C ATOM 14 CH2 TRP A 1 7.004 -4.456 4.048 1.00 0.00 C ATOM 15 H1 TRP A 1 8.036 -0.631 0.862 1.00 0.00 H ATOM 16 HA TRP A 1 8.432 -1.217 -1.985 1.00 0.00 H ATOM 17 HB2 TRP A 1 6.197 -2.484 -1.622 1.00 0.00 H ATOM 18 HB3 TRP A 1 7.673 -3.174 -0.958 1.00 0.00 H ATOM 19 HD1 TRP A 1 4.725 -0.956 0.296 1.00 0.00 H ATOM 20 HE1 TRP A 1 4.256 -1.597 2.743 1.00 0.00 H ATOM 21 HE3 TRP A 1 8.465 -4.382 0.979 1.00 0.00 H ATOM 22 HZ2 TRP A 1 5.324 -3.323 4.703 1.00 0.00 H ATOM 23 HZ3 TRP A 1 8.670 -5.481 3.171 1.00 0.00 H ATOM 24 HH2 TRP A 1 7.132 -4.961 4.994 1.00 0.00 H HETATM 25 O B3L A 2 7.194 4.565 -0.563 1.00 0.00 O HETATM 26 C B3L A 2 6.740 3.677 0.158 1.00 0.00 C HETATM 27 CA B3L A 2 5.361 3.126 -0.031 1.00 0.00 C HETATM 28 CB B3L A 2 5.298 1.813 -0.862 1.00 0.00 C HETATM 29 N B3L A 2 6.038 0.595 -0.659 1.00 0.00 N HETATM 30 CG B3L A 2 3.860 1.704 -0.319 1.00 0.00 C HETATM 31 CD B3L A 2 3.003 0.556 -0.893 1.00 0.00 C HETATM 32 CE2 B3L A 2 3.739 -0.232 -1.972 1.00 0.00 C HETATM 33 CE1 B3L A 2 2.525 -0.369 0.220 1.00 0.00 C HETATM 34 HA B3L A 2 4.759 3.884 -0.513 1.00 0.00 H HETATM 35 HAA B3L A 2 4.964 2.926 0.952 1.00 0.00 H HETATM 36 HB B3L A 2 5.205 1.995 -1.902 1.00 0.00 H HETATM 37 HN B3L A 2 6.233 0.351 0.252 1.00 0.00 H HETATM 38 HG B3L A 2 3.342 2.632 -0.523 1.00 0.00 H HETATM 39 HGA B3L A 2 3.910 1.569 0.754 1.00 0.00 H HETATM 40 HD B3L A 2 2.132 0.981 -1.350 1.00 0.00 H HETATM 41 H3E2 B3L A 2 3.026 -0.809 -2.543 1.00 0.00 H HETATM 42 H2E2 B3L A 2 4.452 -0.898 -1.513 1.00 0.00 H HETATM 43 H1E2 B3L A 2 4.255 0.450 -2.630 1.00 0.00 H HETATM 44 H3E1 B3L A 2 1.479 -0.186 0.416 1.00 0.00 H HETATM 45 H2E1 B3L A 2 3.097 -0.180 1.117 1.00 0.00 H HETATM 46 H1E1 B3L A 2 2.660 -1.398 -0.082 1.00 0.00 H ATOM 47 N ALA A 3 7.252 3.372 1.344 1.00 0.00 N ATOM 48 CA ALA A 3 8.486 3.959 1.801 1.00 0.00 C ATOM 49 C ALA A 3 9.632 2.989 1.526 1.00 0.00 C ATOM 50 O ALA A 3 10.685 3.382 1.023 1.00 0.00 O ATOM 51 CB ALA A 3 8.406 4.300 3.282 1.00 0.00 C ATOM 52 H ALA A 3 6.969 2.550 1.764 1.00 0.00 H ATOM 53 HA ALA A 3 8.640 4.860 1.247 1.00 0.00 H ATOM 54 HB1 ALA A 3 7.989 5.289 3.402 1.00 0.00 H ATOM 55 HB2 ALA A 3 9.397 4.273 3.711 1.00 0.00 H ATOM 56 HB3 ALA A 3 7.777 3.581 3.784 1.00 0.00 H HETATM 57 N UVR A 4 9.313 1.696 1.631 1.00 0.00 N HETATM 58 HN UVR A 4 8.408 1.455 1.910 1.00 0.00 H HETATM 59 CA UVR A 4 10.194 0.638 1.161 1.00 0.00 C HETATM 60 HA UVR A 4 11.164 1.066 0.970 1.00 0.00 H HETATM 61 CB UVR A 4 10.323 -0.457 2.221 1.00 0.00 C HETATM 62 HB1 UVR A 4 11.259 -0.975 2.077 1.00 0.00 H HETATM 63 HB2 UVR A 4 9.510 -1.155 2.092 1.00 0.00 H HETATM 64 CG UVR A 4 10.277 0.059 3.649 1.00 0.00 C HETATM 65 HG1 UVR A 4 10.880 0.953 3.718 1.00 0.00 H HETATM 66 HG2 UVR A 4 10.674 -0.697 4.310 1.00 0.00 H HETATM 67 CD UVR A 4 8.853 0.388 4.070 1.00 0.00 C HETATM 68 HD1 UVR A 4 8.168 -0.031 3.345 1.00 0.00 H HETATM 69 HD2 UVR A 4 8.738 1.461 4.097 1.00 0.00 H HETATM 70 CE UVR A 4 8.530 -0.178 5.443 1.00 0.00 C HETATM 71 HE1 UVR A 4 8.605 0.612 6.176 1.00 0.00 H HETATM 72 HE2 UVR A 4 9.240 -0.957 5.678 1.00 0.00 H HETATM 73 CF UVR A 4 7.125 -0.763 5.489 1.00 0.00 C HETATM 74 HF1 UVR A 4 7.050 -1.444 6.322 1.00 0.00 H HETATM 75 HF2 UVR A 4 6.932 -1.290 4.564 1.00 0.00 H HETATM 76 CX UVR A 4 6.113 0.346 5.662 1.00 0.00 C HETATM 77 OX UVR A 4 6.470 1.523 5.614 1.00 0.00 O HETATM 78 CY UVR A 4 4.659 0.009 5.894 1.00 0.00 C HETATM 79 HY1 UVR A 4 4.228 -0.389 4.988 1.00 0.00 H HETATM 80 HY2 UVR A 4 4.125 0.898 6.201 1.00 0.00 H HETATM 81 CZ UVR A 4 4.541 -1.034 6.981 1.00 0.00 C HETATM 82 HZ1 UVR A 4 4.879 -2.027 6.723 1.00 0.00 H HETATM 83 HZ2 UVR A 4 3.586 -1.137 7.478 1.00 0.00 H HETATM 84 HZ3 UVR A 4 5.303 -1.010 7.746 1.00 0.00 H HETATM 85 C UVR A 4 9.640 0.038 -0.129 1.00 0.00 C HETATM 86 O UVR A 4 10.173 0.272 -1.214 1.00 0.00 O TER 87 UVR A 4 ENDMDL MODEL 7 ATOM 1 N TRP A 1 8.464 -0.462 0.090 1.00 0.00 N ATOM 2 CA TRP A 1 7.654 -0.976 -1.015 1.00 0.00 C ATOM 3 C TRP A 1 6.779 0.137 -1.578 1.00 0.00 C ATOM 4 O TRP A 1 7.145 0.772 -2.567 1.00 0.00 O ATOM 5 CB TRP A 1 6.781 -2.158 -0.562 1.00 0.00 C ATOM 6 CG TRP A 1 6.750 -2.363 0.924 1.00 0.00 C ATOM 7 CD1 TRP A 1 5.915 -1.756 1.818 1.00 0.00 C ATOM 8 CD2 TRP A 1 7.591 -3.235 1.688 1.00 0.00 C ATOM 9 NE1 TRP A 1 6.185 -2.198 3.091 1.00 0.00 N ATOM 10 CE2 TRP A 1 7.211 -3.106 3.038 1.00 0.00 C ATOM 11 CE3 TRP A 1 8.628 -4.113 1.362 1.00 0.00 C ATOM 12 CZ2 TRP A 1 7.830 -3.822 4.058 1.00 0.00 C ATOM 13 CZ3 TRP A 1 9.244 -4.823 2.377 1.00 0.00 C ATOM 14 CH2 TRP A 1 8.843 -4.674 3.710 1.00 0.00 C ATOM 15 H1 TRP A 1 8.031 -0.280 0.949 1.00 0.00 H ATOM 16 HA TRP A 1 8.327 -1.311 -1.788 1.00 0.00 H ATOM 17 HB2 TRP A 1 5.768 -1.995 -0.894 1.00 0.00 H ATOM 18 HB3 TRP A 1 7.159 -3.064 -1.014 1.00 0.00 H ATOM 19 HD1 TRP A 1 5.157 -1.036 1.550 1.00 0.00 H ATOM 20 HE1 TRP A 1 5.720 -1.910 3.904 1.00 0.00 H ATOM 21 HE3 TRP A 1 8.952 -4.242 0.340 1.00 0.00 H ATOM 22 HZ2 TRP A 1 7.533 -3.719 5.092 1.00 0.00 H ATOM 23 HZ3 TRP A 1 10.048 -5.506 2.144 1.00 0.00 H ATOM 24 HH2 TRP A 1 9.352 -5.249 4.470 1.00 0.00 H HETATM 25 O B3L A 2 7.234 4.521 -0.561 1.00 0.00 O HETATM 26 C B3L A 2 6.755 3.613 0.117 1.00 0.00 C HETATM 27 CA B3L A 2 5.346 3.143 -0.088 1.00 0.00 C HETATM 28 CB B3L A 2 5.209 1.865 -0.966 1.00 0.00 C HETATM 29 N B3L A 2 5.831 0.580 -0.759 1.00 0.00 N HETATM 30 CG B3L A 2 3.748 1.876 -0.485 1.00 0.00 C HETATM 31 CD B3L A 2 2.852 0.834 -1.156 1.00 0.00 C HETATM 32 CE2 B3L A 2 1.687 0.470 -0.249 1.00 0.00 C HETATM 33 CE1 B3L A 2 2.348 1.350 -2.495 1.00 0.00 C HETATM 34 HA B3L A 2 4.787 3.949 -0.539 1.00 0.00 H HETATM 35 HAA B3L A 2 4.940 2.928 0.889 1.00 0.00 H HETATM 36 HB B3L A 2 5.172 2.072 -2.004 1.00 0.00 H HETATM 37 HN B3L A 2 5.767 0.199 0.123 1.00 0.00 H HETATM 38 HG B3L A 2 3.321 2.851 -0.675 1.00 0.00 H HETATM 39 HGA B3L A 2 3.732 1.689 0.581 1.00 0.00 H HETATM 40 HD B3L A 2 3.427 -0.063 -1.337 1.00 0.00 H HETATM 41 H3E2 B3L A 2 1.069 -0.270 -0.737 1.00 0.00 H HETATM 42 H2E2 B3L A 2 1.099 1.352 -0.047 1.00 0.00 H HETATM 43 H1E2 B3L A 2 2.065 0.068 0.679 1.00 0.00 H HETATM 44 H3E1 B3L A 2 3.015 1.027 -3.280 1.00 0.00 H HETATM 45 H2E1 B3L A 2 2.311 2.429 -2.475 1.00 0.00 H HETATM 46 H1E1 B3L A 2 1.357 0.960 -2.681 1.00 0.00 H ATOM 47 N ALA A 3 7.247 3.258 1.299 1.00 0.00 N ATOM 48 CA ALA A 3 8.444 3.865 1.829 1.00 0.00 C ATOM 49 C ALA A 3 9.644 2.982 1.508 1.00 0.00 C ATOM 50 O ALA A 3 10.642 3.449 0.958 1.00 0.00 O ATOM 51 CB ALA A 3 8.319 4.083 3.330 1.00 0.00 C ATOM 52 H ALA A 3 6.953 2.425 1.689 1.00 0.00 H ATOM 53 HA ALA A 3 8.562 4.814 1.352 1.00 0.00 H ATOM 54 HB1 ALA A 3 7.715 4.958 3.517 1.00 0.00 H ATOM 55 HB2 ALA A 3 9.301 4.226 3.756 1.00 0.00 H ATOM 56 HB3 ALA A 3 7.852 3.220 3.781 1.00 0.00 H HETATM 57 N UVR A 4 9.421 1.673 1.615 1.00 0.00 N HETATM 58 HN UVR A 4 8.540 1.370 1.916 1.00 0.00 H HETATM 59 CA UVR A 4 10.352 0.686 1.083 1.00 0.00 C HETATM 60 HA UVR A 4 11.234 1.206 0.740 1.00 0.00 H HETATM 61 CB UVR A 4 10.747 -0.314 2.172 1.00 0.00 C HETATM 62 HB1 UVR A 4 11.608 -0.872 1.836 1.00 0.00 H HETATM 63 HB2 UVR A 4 9.925 -0.997 2.331 1.00 0.00 H HETATM 64 CG UVR A 4 11.089 0.338 3.501 1.00 0.00 C HETATM 65 HG1 UVR A 4 11.636 1.251 3.313 1.00 0.00 H HETATM 66 HG2 UVR A 4 11.701 -0.339 4.076 1.00 0.00 H HETATM 67 CD UVR A 4 9.836 0.668 4.297 1.00 0.00 C HETATM 68 HD1 UVR A 4 9.041 0.006 3.988 1.00 0.00 H HETATM 69 HD2 UVR A 4 9.554 1.690 4.100 1.00 0.00 H HETATM 70 CE UVR A 4 10.067 0.500 5.791 1.00 0.00 C HETATM 71 HE1 UVR A 4 10.646 1.337 6.152 1.00 0.00 H HETATM 72 HE2 UVR A 4 10.611 -0.416 5.961 1.00 0.00 H HETATM 73 CF UVR A 4 8.753 0.441 6.554 1.00 0.00 C HETATM 74 HF1 UVR A 4 8.886 -0.150 7.447 1.00 0.00 H HETATM 75 HF2 UVR A 4 7.997 -0.006 5.924 1.00 0.00 H HETATM 76 CX UVR A 4 8.329 1.836 6.944 1.00 0.00 C HETATM 77 OX UVR A 4 9.089 2.550 7.596 1.00 0.00 O HETATM 78 CY UVR A 4 6.973 2.357 6.530 1.00 0.00 C HETATM 79 HY1 UVR A 4 6.956 2.527 5.465 1.00 0.00 H HETATM 80 HY2 UVR A 4 6.760 3.276 7.059 1.00 0.00 H HETATM 81 CZ UVR A 4 5.909 1.338 6.869 1.00 0.00 C HETATM 82 HZ1 UVR A 4 5.665 0.630 6.090 1.00 0.00 H HETATM 83 HZ2 UVR A 4 4.977 1.702 7.278 1.00 0.00 H HETATM 84 HZ3 UVR A 4 6.227 0.506 7.480 1.00 0.00 H HETATM 85 C UVR A 4 9.717 -0.047 -0.096 1.00 0.00 C HETATM 86 O UVR A 4 10.272 -0.072 -1.194 1.00 0.00 O TER 87 UVR A 4 ENDMDL MODEL 8 ATOM 1 N TRP A 1 8.415 -0.662 -0.059 1.00 0.00 N ATOM 2 CA TRP A 1 7.766 -1.074 -1.299 1.00 0.00 C ATOM 3 C TRP A 1 6.832 0.040 -1.768 1.00 0.00 C ATOM 4 O TRP A 1 7.128 0.712 -2.756 1.00 0.00 O ATOM 5 CB TRP A 1 7.013 -2.403 -1.095 1.00 0.00 C ATOM 6 CG TRP A 1 5.518 -2.303 -1.189 1.00 0.00 C ATOM 7 CD1 TRP A 1 4.658 -1.900 -0.207 1.00 0.00 C ATOM 8 CD2 TRP A 1 4.707 -2.624 -2.325 1.00 0.00 C ATOM 9 NE1 TRP A 1 3.363 -1.945 -0.666 1.00 0.00 N ATOM 10 CE2 TRP A 1 3.367 -2.388 -1.963 1.00 0.00 C ATOM 11 CE3 TRP A 1 4.985 -3.086 -3.615 1.00 0.00 C ATOM 12 CZ2 TRP A 1 2.309 -2.598 -2.843 1.00 0.00 C ATOM 13 CZ3 TRP A 1 3.933 -3.296 -4.488 1.00 0.00 C ATOM 14 CH2 TRP A 1 2.610 -3.052 -4.099 1.00 0.00 C ATOM 15 H1 TRP A 1 7.889 -0.662 0.766 1.00 0.00 H ATOM 16 HA TRP A 1 8.537 -1.214 -2.044 1.00 0.00 H ATOM 17 HB2 TRP A 1 7.341 -3.107 -1.845 1.00 0.00 H ATOM 18 HB3 TRP A 1 7.259 -2.793 -0.118 1.00 0.00 H ATOM 19 HD1 TRP A 1 4.965 -1.588 0.780 1.00 0.00 H ATOM 20 HE1 TRP A 1 2.568 -1.702 -0.149 1.00 0.00 H ATOM 21 HE3 TRP A 1 5.998 -3.280 -3.933 1.00 0.00 H ATOM 22 HZ2 TRP A 1 1.283 -2.415 -2.559 1.00 0.00 H ATOM 23 HZ3 TRP A 1 4.128 -3.654 -5.488 1.00 0.00 H ATOM 24 HH2 TRP A 1 1.820 -3.230 -4.814 1.00 0.00 H HETATM 25 O B3L A 2 6.560 2.500 2.237 1.00 0.00 O HETATM 26 C B3L A 2 6.547 3.038 1.130 1.00 0.00 C HETATM 27 CA B3L A 2 5.331 2.864 0.271 1.00 0.00 C HETATM 28 CB B3L A 2 5.481 1.831 -0.879 1.00 0.00 C HETATM 29 N B3L A 2 6.004 0.490 -0.830 1.00 0.00 N HETATM 30 CG B3L A 2 3.947 1.853 -0.937 1.00 0.00 C HETATM 31 CD B3L A 2 3.344 1.049 -2.090 1.00 0.00 C HETATM 32 CE2 B3L A 2 1.839 0.918 -1.919 1.00 0.00 C HETATM 33 CE1 B3L A 2 3.677 1.699 -3.424 1.00 0.00 C HETATM 34 HA B3L A 2 5.073 3.825 -0.148 1.00 0.00 H HETATM 35 HAA B3L A 2 4.538 2.533 0.920 1.00 0.00 H HETATM 36 HB B3L A 2 5.814 2.292 -1.774 1.00 0.00 H HETATM 37 HN B3L A 2 6.032 0.077 0.043 1.00 0.00 H HETATM 38 HG B3L A 2 3.614 2.877 -1.037 1.00 0.00 H HETATM 39 HGA B3L A 2 3.558 1.448 -0.012 1.00 0.00 H HETATM 40 HD B3L A 2 3.767 0.055 -2.085 1.00 0.00 H HETATM 41 H3E2 B3L A 2 1.468 1.754 -1.344 1.00 0.00 H HETATM 42 H2E2 B3L A 2 1.614 -0.002 -1.402 1.00 0.00 H HETATM 43 H1E2 B3L A 2 1.366 0.912 -2.889 1.00 0.00 H HETATM 44 H3E1 B3L A 2 4.548 2.327 -3.313 1.00 0.00 H HETATM 45 H2E1 B3L A 2 2.840 2.299 -3.752 1.00 0.00 H HETATM 46 H1E1 B3L A 2 3.879 0.932 -4.158 1.00 0.00 H ATOM 47 N ALA A 3 7.525 3.867 0.775 1.00 0.00 N ATOM 48 CA ALA A 3 8.617 4.178 1.697 1.00 0.00 C ATOM 49 C ALA A 3 9.627 3.027 1.722 1.00 0.00 C ATOM 50 O ALA A 3 10.835 3.253 1.793 1.00 0.00 O ATOM 51 CB ALA A 3 8.094 4.471 3.099 1.00 0.00 C ATOM 52 H ALA A 3 7.696 3.981 -0.182 1.00 0.00 H ATOM 53 HA ALA A 3 9.114 5.066 1.331 1.00 0.00 H ATOM 54 HB1 ALA A 3 7.151 4.993 3.029 1.00 0.00 H ATOM 55 HB2 ALA A 3 8.806 5.084 3.629 1.00 0.00 H ATOM 56 HB3 ALA A 3 7.951 3.542 3.631 1.00 0.00 H HETATM 57 N UVR A 4 9.131 1.815 1.465 1.00 0.00 N HETATM 58 HN UVR A 4 8.175 1.721 1.306 1.00 0.00 H HETATM 59 CA UVR A 4 9.983 0.654 1.241 1.00 0.00 C HETATM 60 HA UVR A 4 11.004 0.994 1.172 1.00 0.00 H HETATM 61 CB UVR A 4 9.854 -0.329 2.404 1.00 0.00 C HETATM 62 HB1 UVR A 4 10.616 -1.087 2.308 1.00 0.00 H HETATM 63 HB2 UVR A 4 8.883 -0.796 2.355 1.00 0.00 H HETATM 64 CG UVR A 4 9.996 0.322 3.768 1.00 0.00 C HETATM 65 HG1 UVR A 4 10.717 1.124 3.701 1.00 0.00 H HETATM 66 HG2 UVR A 4 10.341 -0.417 4.476 1.00 0.00 H HETATM 67 CD UVR A 4 8.670 0.889 4.251 1.00 0.00 C HETATM 68 HD1 UVR A 4 7.920 0.724 3.490 1.00 0.00 H HETATM 69 HD2 UVR A 4 8.784 1.949 4.422 1.00 0.00 H HETATM 70 CE UVR A 4 8.216 0.229 5.543 1.00 0.00 C HETATM 71 HE1 UVR A 4 9.008 0.308 6.274 1.00 0.00 H HETATM 72 HE2 UVR A 4 8.004 -0.812 5.350 1.00 0.00 H HETATM 73 CF UVR A 4 6.964 0.892 6.098 1.00 0.00 C HETATM 74 HF1 UVR A 4 6.377 1.281 5.283 1.00 0.00 H HETATM 75 HF2 UVR A 4 7.254 1.695 6.762 1.00 0.00 H HETATM 76 CX UVR A 4 6.146 -0.124 6.857 1.00 0.00 C HETATM 77 OX UVR A 4 6.642 -0.729 7.806 1.00 0.00 O HETATM 78 CY UVR A 4 4.717 -0.399 6.450 1.00 0.00 C HETATM 79 HY1 UVR A 4 4.650 -1.371 5.988 1.00 0.00 H HETATM 80 HY2 UVR A 4 4.382 0.366 5.764 1.00 0.00 H HETATM 81 CZ UVR A 4 3.825 -0.386 7.672 1.00 0.00 C HETATM 82 HZ1 UVR A 4 4.047 0.368 8.411 1.00 0.00 H HETATM 83 HZ2 UVR A 4 3.677 -1.320 8.194 1.00 0.00 H HETATM 84 HZ3 UVR A 4 2.856 0.072 7.543 1.00 0.00 H HETATM 85 C UVR A 4 9.590 -0.031 -0.068 1.00 0.00 C HETATM 86 O UVR A 4 10.200 0.220 -1.108 1.00 0.00 O TER 87 UVR A 4 ENDMDL MODEL 9 ATOM 1 N TRP A 1 8.439 -0.520 0.007 1.00 0.00 N ATOM 2 CA TRP A 1 7.699 -1.073 -1.126 1.00 0.00 C ATOM 3 C TRP A 1 6.658 -0.068 -1.622 1.00 0.00 C ATOM 4 O TRP A 1 6.679 0.316 -2.791 1.00 0.00 O ATOM 5 CB TRP A 1 7.047 -2.414 -0.745 1.00 0.00 C ATOM 6 CG TRP A 1 5.641 -2.307 -0.225 1.00 0.00 C ATOM 7 CD1 TRP A 1 5.222 -1.640 0.891 1.00 0.00 C ATOM 8 CD2 TRP A 1 4.470 -2.901 -0.799 1.00 0.00 C ATOM 9 NE1 TRP A 1 3.864 -1.776 1.040 1.00 0.00 N ATOM 10 CE2 TRP A 1 3.379 -2.547 0.017 1.00 0.00 C ATOM 11 CE3 TRP A 1 4.238 -3.694 -1.927 1.00 0.00 C ATOM 12 CZ2 TRP A 1 2.078 -2.960 -0.258 1.00 0.00 C ATOM 13 CZ3 TRP A 1 2.946 -4.105 -2.199 1.00 0.00 C ATOM 14 CH2 TRP A 1 1.881 -3.737 -1.368 1.00 0.00 C ATOM 15 H1 TRP A 1 7.990 -0.439 0.875 1.00 0.00 H ATOM 16 HA TRP A 1 8.409 -1.247 -1.921 1.00 0.00 H ATOM 17 HB2 TRP A 1 7.025 -3.051 -1.616 1.00 0.00 H ATOM 18 HB3 TRP A 1 7.647 -2.887 0.019 1.00 0.00 H ATOM 19 HD1 TRP A 1 5.875 -1.085 1.546 1.00 0.00 H ATOM 20 HE1 TRP A 1 3.329 -1.387 1.764 1.00 0.00 H ATOM 21 HE3 TRP A 1 5.048 -3.988 -2.579 1.00 0.00 H ATOM 22 HZ2 TRP A 1 1.245 -2.685 0.371 1.00 0.00 H ATOM 23 HZ3 TRP A 1 2.749 -4.719 -3.065 1.00 0.00 H ATOM 24 HH2 TRP A 1 0.888 -4.080 -1.619 1.00 0.00 H HETATM 25 O B3L A 2 7.321 4.536 -0.564 1.00 0.00 O HETATM 26 C B3L A 2 6.801 3.671 0.139 1.00 0.00 C HETATM 27 CA B3L A 2 5.414 3.169 -0.122 1.00 0.00 C HETATM 28 CB B3L A 2 5.348 1.847 -0.938 1.00 0.00 C HETATM 29 N B3L A 2 6.019 0.598 -0.666 1.00 0.00 N HETATM 30 CG B3L A 2 3.877 1.815 -0.499 1.00 0.00 C HETATM 31 CD B3L A 2 3.048 0.703 -1.142 1.00 0.00 C HETATM 32 CE2 B3L A 2 1.621 0.729 -0.616 1.00 0.00 C HETATM 33 CE1 B3L A 2 3.063 0.838 -2.656 1.00 0.00 C HETATM 34 HA B3L A 2 4.872 3.942 -0.648 1.00 0.00 H HETATM 35 HAA B3L A 2 4.954 3.001 0.840 1.00 0.00 H HETATM 36 HB B3L A 2 5.337 2.013 -1.984 1.00 0.00 H HETATM 37 HN B3L A 2 6.252 0.424 0.254 1.00 0.00 H HETATM 38 HG B3L A 2 3.413 2.760 -0.748 1.00 0.00 H HETATM 39 HGA B3L A 2 3.837 1.680 0.575 1.00 0.00 H HETATM 40 HD B3L A 2 3.482 -0.252 -0.884 1.00 0.00 H HETATM 41 H3E2 B3L A 2 1.537 0.062 0.229 1.00 0.00 H HETATM 42 H2E2 B3L A 2 0.945 0.409 -1.394 1.00 0.00 H HETATM 43 H1E2 B3L A 2 1.368 1.732 -0.308 1.00 0.00 H HETATM 44 H3E1 B3L A 2 3.199 1.875 -2.924 1.00 0.00 H HETATM 45 H2E1 B3L A 2 2.126 0.482 -3.059 1.00 0.00 H HETATM 46 H1E1 B3L A 2 3.875 0.252 -3.062 1.00 0.00 H ATOM 47 N ALA A 3 7.240 3.365 1.354 1.00 0.00 N ATOM 48 CA ALA A 3 8.454 3.941 1.878 1.00 0.00 C ATOM 49 C ALA A 3 9.624 3.009 1.575 1.00 0.00 C ATOM 50 O ALA A 3 10.688 3.451 1.142 1.00 0.00 O ATOM 51 CB ALA A 3 8.331 4.189 3.374 1.00 0.00 C ATOM 52 H ALA A 3 6.916 2.554 1.767 1.00 0.00 H ATOM 53 HA ALA A 3 8.605 4.876 1.384 1.00 0.00 H ATOM 54 HB1 ALA A 3 9.275 3.976 3.853 1.00 0.00 H ATOM 55 HB2 ALA A 3 7.566 3.548 3.784 1.00 0.00 H ATOM 56 HB3 ALA A 3 8.066 5.222 3.547 1.00 0.00 H HETATM 57 N UVR A 4 9.327 1.707 1.586 1.00 0.00 N HETATM 58 HN UVR A 4 8.416 1.434 1.814 1.00 0.00 H HETATM 59 CA UVR A 4 10.251 0.697 1.082 1.00 0.00 C HETATM 60 HA UVR A 4 11.164 1.196 0.794 1.00 0.00 H HETATM 61 CB UVR A 4 10.561 -0.332 2.171 1.00 0.00 C HETATM 62 HB1 UVR A 4 11.322 -1.006 1.805 1.00 0.00 H HETATM 63 HB2 UVR A 4 9.665 -0.896 2.384 1.00 0.00 H HETATM 64 CG UVR A 4 11.055 0.285 3.468 1.00 0.00 C HETATM 65 HG1 UVR A 4 11.598 1.191 3.241 1.00 0.00 H HETATM 66 HG2 UVR A 4 11.710 -0.416 3.963 1.00 0.00 H HETATM 67 CD UVR A 4 9.900 0.621 4.399 1.00 0.00 C HETATM 68 HD1 UVR A 4 9.377 -0.290 4.650 1.00 0.00 H HETATM 69 HD2 UVR A 4 9.228 1.297 3.892 1.00 0.00 H HETATM 70 CE UVR A 4 10.390 1.280 5.679 1.00 0.00 C HETATM 71 HE1 UVR A 4 10.237 2.348 5.603 1.00 0.00 H HETATM 72 HE2 UVR A 4 11.442 1.073 5.800 1.00 0.00 H HETATM 73 CF UVR A 4 9.642 0.759 6.896 1.00 0.00 C HETATM 74 HF1 UVR A 4 10.046 -0.201 7.178 1.00 0.00 H HETATM 75 HF2 UVR A 4 8.592 0.662 6.652 1.00 0.00 H HETATM 76 CX UVR A 4 9.808 1.724 8.044 1.00 0.00 C HETATM 77 OX UVR A 4 10.361 1.357 9.080 1.00 0.00 O HETATM 78 CY UVR A 4 9.296 3.139 7.922 1.00 0.00 C HETATM 79 HY1 UVR A 4 8.621 3.212 7.084 1.00 0.00 H HETATM 80 HY2 UVR A 4 10.129 3.817 7.791 1.00 0.00 H HETATM 81 CZ UVR A 4 8.545 3.523 9.177 1.00 0.00 C HETATM 82 HZ1 UVR A 4 7.868 2.779 9.570 1.00 0.00 H HETATM 83 HZ2 UVR A 4 8.023 4.469 9.180 1.00 0.00 H HETATM 84 HZ3 UVR A 4 9.101 3.457 10.100 1.00 0.00 H HETATM 85 C UVR A 4 9.658 0.001 -0.143 1.00 0.00 C HETATM 86 O UVR A 4 10.234 0.046 -1.230 1.00 0.00 O TER 87 UVR A 4 ENDMDL MODEL 10 ATOM 1 N TRP A 1 8.439 -0.518 0.007 1.00 0.00 N ATOM 2 CA TRP A 1 7.704 -1.064 -1.134 1.00 0.00 C ATOM 3 C TRP A 1 6.665 -0.055 -1.625 1.00 0.00 C ATOM 4 O TRP A 1 6.693 0.342 -2.790 1.00 0.00 O ATOM 5 CB TRP A 1 7.052 -2.409 -0.767 1.00 0.00 C ATOM 6 CG TRP A 1 5.632 -2.311 -0.284 1.00 0.00 C ATOM 7 CD1 TRP A 1 5.187 -1.670 0.835 1.00 0.00 C ATOM 8 CD2 TRP A 1 4.476 -2.886 -0.903 1.00 0.00 C ATOM 9 NE1 TRP A 1 3.824 -1.806 0.947 1.00 0.00 N ATOM 10 CE2 TRP A 1 3.364 -2.549 -0.108 1.00 0.00 C ATOM 11 CE3 TRP A 1 4.271 -3.652 -2.055 1.00 0.00 C ATOM 12 CZ2 TRP A 1 2.070 -2.951 -0.426 1.00 0.00 C ATOM 13 CZ3 TRP A 1 2.985 -4.051 -2.371 1.00 0.00 C ATOM 14 CH2 TRP A 1 1.899 -3.699 -1.560 1.00 0.00 C ATOM 15 H1 TRP A 1 7.987 -0.444 0.873 1.00 0.00 H ATOM 16 HA TRP A 1 8.417 -1.229 -1.928 1.00 0.00 H ATOM 17 HB2 TRP A 1 7.057 -3.047 -1.638 1.00 0.00 H ATOM 18 HB3 TRP A 1 7.636 -2.877 0.012 1.00 0.00 H ATOM 19 HD1 TRP A 1 5.823 -1.133 1.523 1.00 0.00 H ATOM 20 HE1 TRP A 1 3.272 -1.432 1.665 1.00 0.00 H ATOM 21 HE3 TRP A 1 5.096 -3.933 -2.693 1.00 0.00 H ATOM 22 HZ2 TRP A 1 1.222 -2.688 0.189 1.00 0.00 H ATOM 23 HZ3 TRP A 1 2.808 -4.643 -3.256 1.00 0.00 H ATOM 24 HH2 TRP A 1 0.912 -4.033 -1.844 1.00 0.00 H HETATM 25 O B3L A 2 7.303 4.541 -0.559 1.00 0.00 O HETATM 26 C B3L A 2 6.790 3.670 0.143 1.00 0.00 C HETATM 27 CA B3L A 2 5.403 3.165 -0.112 1.00 0.00 C HETATM 28 CB B3L A 2 5.339 1.846 -0.933 1.00 0.00 C HETATM 29 N B3L A 2 6.013 0.597 -0.668 1.00 0.00 N HETATM 30 CG B3L A 2 3.867 1.811 -0.491 1.00 0.00 C HETATM 31 CD B3L A 2 3.036 0.707 -1.146 1.00 0.00 C HETATM 32 CE2 B3L A 2 1.648 0.645 -0.528 1.00 0.00 C HETATM 33 CE1 B3L A 2 2.943 0.932 -2.647 1.00 0.00 C HETATM 34 HA B3L A 2 4.856 3.938 -0.632 1.00 0.00 H HETATM 35 HAA B3L A 2 4.950 2.990 0.851 1.00 0.00 H HETATM 36 HB B3L A 2 5.324 2.015 -1.979 1.00 0.00 H HETATM 37 HN B3L A 2 6.238 0.412 0.252 1.00 0.00 H HETATM 38 HG B3L A 2 3.404 2.759 -0.728 1.00 0.00 H HETATM 39 HGA B3L A 2 3.830 1.662 0.581 1.00 0.00 H HETATM 40 HD B3L A 2 3.520 -0.244 -0.978 1.00 0.00 H HETATM 41 H3E2 B3L A 2 0.953 1.190 -1.149 1.00 0.00 H HETATM 42 H2E2 B3L A 2 1.672 1.086 0.457 1.00 0.00 H HETATM 43 H1E2 B3L A 2 1.332 -0.385 -0.454 1.00 0.00 H HETATM 44 H3E1 B3L A 2 2.912 1.992 -2.852 1.00 0.00 H HETATM 45 H2E1 B3L A 2 2.046 0.466 -3.026 1.00 0.00 H HETATM 46 H1E1 B3L A 2 3.806 0.498 -3.131 1.00 0.00 H ATOM 47 N ALA A 3 7.241 3.359 1.352 1.00 0.00 N ATOM 48 CA ALA A 3 8.457 3.937 1.867 1.00 0.00 C ATOM 49 C ALA A 3 9.624 3.006 1.555 1.00 0.00 C ATOM 50 O ALA A 3 10.673 3.444 1.080 1.00 0.00 O ATOM 51 CB ALA A 3 8.346 4.188 3.364 1.00 0.00 C ATOM 52 H ALA A 3 6.925 2.544 1.762 1.00 0.00 H ATOM 53 HA ALA A 3 8.604 4.873 1.370 1.00 0.00 H ATOM 54 HB1 ALA A 3 7.373 3.871 3.710 1.00 0.00 H ATOM 55 HB2 ALA A 3 8.472 5.242 3.563 1.00 0.00 H ATOM 56 HB3 ALA A 3 9.111 3.629 3.883 1.00 0.00 H HETATM 57 N UVR A 4 9.336 1.704 1.601 1.00 0.00 N HETATM 58 HN UVR A 4 8.432 1.430 1.859 1.00 0.00 H HETATM 59 CA UVR A 4 10.251 0.688 1.098 1.00 0.00 C HETATM 60 HA UVR A 4 11.173 1.177 0.820 1.00 0.00 H HETATM 61 CB UVR A 4 10.544 -0.350 2.183 1.00 0.00 C HETATM 62 HB1 UVR A 4 11.398 -0.937 1.882 1.00 0.00 H HETATM 63 HB2 UVR A 4 9.688 -1.001 2.283 1.00 0.00 H HETATM 64 CG UVR A 4 10.839 0.258 3.545 1.00 0.00 C HETATM 65 HG1 UVR A 4 11.423 1.157 3.407 1.00 0.00 H HETATM 66 HG2 UVR A 4 11.402 -0.452 4.132 1.00 0.00 H HETATM 67 CD UVR A 4 9.561 0.608 4.288 1.00 0.00 C HETATM 68 HD1 UVR A 4 8.766 -0.037 3.942 1.00 0.00 H HETATM 69 HD2 UVR A 4 9.307 1.637 4.085 1.00 0.00 H HETATM 70 CE UVR A 4 9.722 0.430 5.790 1.00 0.00 C HETATM 71 HE1 UVR A 4 10.765 0.550 6.047 1.00 0.00 H HETATM 72 HE2 UVR A 4 9.395 -0.562 6.063 1.00 0.00 H HETATM 73 CF UVR A 4 8.900 1.448 6.565 1.00 0.00 C HETATM 74 HF1 UVR A 4 8.889 2.382 6.025 1.00 0.00 H HETATM 75 HF2 UVR A 4 9.343 1.591 7.541 1.00 0.00 H HETATM 76 CX UVR A 4 7.485 0.948 6.717 1.00 0.00 C HETATM 77 OX UVR A 4 6.553 1.579 6.220 1.00 0.00 O HETATM 78 CY UVR A 4 7.211 -0.328 7.478 1.00 0.00 C HETATM 79 HY1 UVR A 4 7.565 -1.175 6.910 1.00 0.00 H HETATM 80 HY2 UVR A 4 6.149 -0.420 7.665 1.00 0.00 H HETATM 81 CZ UVR A 4 7.939 -0.301 8.803 1.00 0.00 C HETATM 82 HZ1 UVR A 4 7.571 -0.980 9.559 1.00 0.00 H HETATM 83 HZ2 UVR A 4 8.090 0.658 9.275 1.00 0.00 H HETATM 84 HZ3 UVR A 4 8.881 -0.829 8.836 1.00 0.00 H HETATM 85 C UVR A 4 9.660 0.003 -0.136 1.00 0.00 C HETATM 86 O UVR A 4 10.240 0.055 -1.219 1.00 0.00 O TER 87 UVR A 4 ENDMDL MODEL 11 ATOM 1 N TRP A 1 8.466 -0.472 0.090 1.00 0.00 N ATOM 2 CA TRP A 1 7.653 -0.978 -1.015 1.00 0.00 C ATOM 3 C TRP A 1 6.785 0.143 -1.574 1.00 0.00 C ATOM 4 O TRP A 1 7.163 0.789 -2.551 1.00 0.00 O ATOM 5 CB TRP A 1 6.771 -2.154 -0.564 1.00 0.00 C ATOM 6 CG TRP A 1 6.821 -2.429 0.910 1.00 0.00 C ATOM 7 CD1 TRP A 1 6.146 -1.761 1.893 1.00 0.00 C ATOM 8 CD2 TRP A 1 7.588 -3.444 1.569 1.00 0.00 C ATOM 9 NE1 TRP A 1 6.446 -2.300 3.120 1.00 0.00 N ATOM 10 CE2 TRP A 1 7.329 -3.334 2.948 1.00 0.00 C ATOM 11 CE3 TRP A 1 8.468 -4.436 1.127 1.00 0.00 C ATOM 12 CZ2 TRP A 1 7.918 -4.177 3.887 1.00 0.00 C ATOM 13 CZ3 TRP A 1 9.053 -5.272 2.059 1.00 0.00 C ATOM 14 CH2 TRP A 1 8.775 -5.139 3.426 1.00 0.00 C ATOM 15 H1 TRP A 1 8.037 -0.300 0.954 1.00 0.00 H ATOM 16 HA TRP A 1 8.322 -1.316 -1.789 1.00 0.00 H ATOM 17 HB2 TRP A 1 5.745 -1.946 -0.826 1.00 0.00 H ATOM 18 HB3 TRP A 1 7.091 -3.048 -1.079 1.00 0.00 H ATOM 19 HD1 TRP A 1 5.478 -0.932 1.717 1.00 0.00 H ATOM 20 HE1 TRP A 1 6.086 -1.994 3.979 1.00 0.00 H ATOM 21 HE3 TRP A 1 8.694 -4.554 0.078 1.00 0.00 H ATOM 22 HZ2 TRP A 1 7.714 -4.087 4.944 1.00 0.00 H ATOM 23 HZ3 TRP A 1 9.735 -6.044 1.736 1.00 0.00 H ATOM 24 HH2 TRP A 1 9.255 -5.814 4.118 1.00 0.00 H HETATM 25 O B3L A 2 7.238 4.517 -0.568 1.00 0.00 O HETATM 26 C B3L A 2 6.761 3.609 0.114 1.00 0.00 C HETATM 27 CA B3L A 2 5.350 3.139 -0.083 1.00 0.00 C HETATM 28 CB B3L A 2 5.207 1.863 -0.961 1.00 0.00 C HETATM 29 N B3L A 2 5.827 0.577 -0.761 1.00 0.00 N HETATM 30 CG B3L A 2 3.749 1.874 -0.471 1.00 0.00 C HETATM 31 CD B3L A 2 2.860 0.794 -1.091 1.00 0.00 C HETATM 32 CE2 B3L A 2 1.496 0.774 -0.419 1.00 0.00 C HETATM 33 CE1 B3L A 2 2.715 1.019 -2.589 1.00 0.00 C HETATM 34 HA B3L A 2 4.788 3.947 -0.529 1.00 0.00 H HETATM 35 HAA B3L A 2 4.952 2.923 0.897 1.00 0.00 H HETATM 36 HB B3L A 2 5.162 2.071 -2.000 1.00 0.00 H HETATM 37 HN B3L A 2 5.754 0.186 0.116 1.00 0.00 H HETATM 38 HG B3L A 2 3.308 2.835 -0.699 1.00 0.00 H HETATM 39 HGA B3L A 2 3.740 1.732 0.602 1.00 0.00 H HETATM 40 HD B3L A 2 3.322 -0.172 -0.939 1.00 0.00 H HETATM 41 H3E2 B3L A 2 0.856 0.066 -0.925 1.00 0.00 H HETATM 42 H2E2 B3L A 2 1.055 1.759 -0.471 1.00 0.00 H HETATM 43 H1E2 B3L A 2 1.609 0.484 0.615 1.00 0.00 H HETATM 44 H3E1 B3L A 2 3.635 0.745 -3.085 1.00 0.00 H HETATM 45 H2E1 B3L A 2 2.502 2.061 -2.778 1.00 0.00 H HETATM 46 H1E1 B3L A 2 1.907 0.412 -2.968 1.00 0.00 H ATOM 47 N ALA A 3 7.249 3.260 1.299 1.00 0.00 N ATOM 48 CA ALA A 3 8.445 3.869 1.831 1.00 0.00 C ATOM 49 C ALA A 3 9.645 2.984 1.515 1.00 0.00 C ATOM 50 O ALA A 3 10.650 3.452 0.980 1.00 0.00 O ATOM 51 CB ALA A 3 8.316 4.092 3.330 1.00 0.00 C ATOM 52 H ALA A 3 6.949 2.432 1.696 1.00 0.00 H ATOM 53 HA ALA A 3 8.565 4.815 1.351 1.00 0.00 H ATOM 54 HB1 ALA A 3 7.451 4.707 3.530 1.00 0.00 H ATOM 55 HB2 ALA A 3 9.203 4.586 3.699 1.00 0.00 H ATOM 56 HB3 ALA A 3 8.202 3.139 3.826 1.00 0.00 H HETATM 57 N UVR A 4 9.417 1.675 1.611 1.00 0.00 N HETATM 58 HN UVR A 4 8.530 1.373 1.896 1.00 0.00 H HETATM 59 CA UVR A 4 10.350 0.689 1.080 1.00 0.00 C HETATM 60 HA UVR A 4 11.229 1.211 0.736 1.00 0.00 H HETATM 61 CB UVR A 4 10.748 -0.309 2.168 1.00 0.00 C HETATM 62 HB1 UVR A 4 11.533 -0.946 1.787 1.00 0.00 H HETATM 63 HB2 UVR A 4 9.891 -0.918 2.414 1.00 0.00 H HETATM 64 CG UVR A 4 11.246 0.348 3.444 1.00 0.00 C HETATM 65 HG1 UVR A 4 11.752 1.269 3.191 1.00 0.00 H HETATM 66 HG2 UVR A 4 11.937 -0.320 3.936 1.00 0.00 H HETATM 67 CD UVR A 4 10.102 0.660 4.395 1.00 0.00 C HETATM 68 HD1 UVR A 4 9.520 -0.237 4.549 1.00 0.00 H HETATM 69 HD2 UVR A 4 9.479 1.425 3.957 1.00 0.00 H HETATM 70 CE UVR A 4 10.615 1.152 5.740 1.00 0.00 C HETATM 71 HE1 UVR A 4 10.549 2.230 5.767 1.00 0.00 H HETATM 72 HE2 UVR A 4 11.645 0.851 5.854 1.00 0.00 H HETATM 73 CF UVR A 4 9.805 0.576 6.893 1.00 0.00 C HETATM 74 HF1 UVR A 4 10.475 0.283 7.685 1.00 0.00 H HETATM 75 HF2 UVR A 4 9.250 -0.282 6.541 1.00 0.00 H HETATM 76 CX UVR A 4 8.847 1.619 7.416 1.00 0.00 C HETATM 77 OX UVR A 4 7.950 2.049 6.692 1.00 0.00 O HETATM 78 CY UVR A 4 8.989 2.136 8.828 1.00 0.00 C HETATM 79 HY1 UVR A 4 8.803 1.338 9.530 1.00 0.00 H HETATM 80 HY2 UVR A 4 8.292 2.946 8.991 1.00 0.00 H HETATM 81 CZ UVR A 4 10.395 2.648 9.047 1.00 0.00 C HETATM 82 HZ1 UVR A 4 11.052 2.605 8.191 1.00 0.00 H HETATM 83 HZ2 UVR A 4 10.942 2.266 9.896 1.00 0.00 H HETATM 84 HZ3 UVR A 4 10.513 3.722 9.041 1.00 0.00 H HETATM 85 C UVR A 4 9.714 -0.046 -0.100 1.00 0.00 C HETATM 86 O UVR A 4 10.263 -0.055 -1.202 1.00 0.00 O TER 87 UVR A 4 ENDMDL MODEL 12 ATOM 1 N TRP A 1 8.417 -0.665 -0.063 1.00 0.00 N ATOM 2 CA TRP A 1 7.767 -1.078 -1.303 1.00 0.00 C ATOM 3 C TRP A 1 6.828 0.033 -1.769 1.00 0.00 C ATOM 4 O TRP A 1 7.114 0.700 -2.764 1.00 0.00 O ATOM 5 CB TRP A 1 7.022 -2.410 -1.102 1.00 0.00 C ATOM 6 CG TRP A 1 5.524 -2.314 -1.170 1.00 0.00 C ATOM 7 CD1 TRP A 1 4.681 -1.904 -0.176 1.00 0.00 C ATOM 8 CD2 TRP A 1 4.694 -2.647 -2.289 1.00 0.00 C ATOM 9 NE1 TRP A 1 3.378 -1.956 -0.611 1.00 0.00 N ATOM 10 CE2 TRP A 1 3.360 -2.410 -1.904 1.00 0.00 C ATOM 11 CE3 TRP A 1 4.949 -3.119 -3.579 1.00 0.00 C ATOM 12 CZ2 TRP A 1 2.287 -2.631 -2.764 1.00 0.00 C ATOM 13 CZ3 TRP A 1 3.883 -3.338 -4.431 1.00 0.00 C ATOM 14 CH2 TRP A 1 2.566 -3.093 -4.021 1.00 0.00 C ATOM 15 H1 TRP A 1 7.894 -0.679 0.765 1.00 0.00 H ATOM 16 HA TRP A 1 8.538 -1.212 -2.049 1.00 0.00 H ATOM 17 HB2 TRP A 1 7.338 -3.105 -1.864 1.00 0.00 H ATOM 18 HB3 TRP A 1 7.284 -2.811 -0.133 1.00 0.00 H ATOM 19 HD1 TRP A 1 5.006 -1.584 0.802 1.00 0.00 H ATOM 20 HE1 TRP A 1 2.591 -1.710 -0.082 1.00 0.00 H ATOM 21 HE3 TRP A 1 5.957 -3.314 -3.914 1.00 0.00 H ATOM 22 HZ2 TRP A 1 1.266 -2.446 -2.463 1.00 0.00 H ATOM 23 HZ3 TRP A 1 4.061 -3.703 -5.432 1.00 0.00 H ATOM 24 HH2 TRP A 1 1.764 -3.279 -4.720 1.00 0.00 H HETATM 25 O B3L A 2 6.562 2.504 2.238 1.00 0.00 O HETATM 26 C B3L A 2 6.549 3.040 1.130 1.00 0.00 C HETATM 27 CA B3L A 2 5.333 2.864 0.270 1.00 0.00 C HETATM 28 CB B3L A 2 5.485 1.829 -0.877 1.00 0.00 C HETATM 29 N B3L A 2 6.009 0.489 -0.825 1.00 0.00 N HETATM 30 CG B3L A 2 3.951 1.849 -0.936 1.00 0.00 C HETATM 31 CD B3L A 2 3.350 1.044 -2.088 1.00 0.00 C HETATM 32 CE2 B3L A 2 1.835 0.988 -1.966 1.00 0.00 C HETATM 33 CE1 B3L A 2 3.759 1.642 -3.426 1.00 0.00 C HETATM 34 HA B3L A 2 5.074 3.823 -0.150 1.00 0.00 H HETATM 35 HAA B3L A 2 4.540 2.533 0.920 1.00 0.00 H HETATM 36 HB B3L A 2 5.818 2.289 -1.773 1.00 0.00 H HETATM 37 HN B3L A 2 6.046 0.080 0.050 1.00 0.00 H HETATM 38 HG B3L A 2 3.617 2.873 -1.037 1.00 0.00 H HETATM 39 HGA B3L A 2 3.563 1.445 -0.011 1.00 0.00 H HETATM 40 HD B3L A 2 3.726 0.032 -2.043 1.00 0.00 H HETATM 41 H3E2 B3L A 2 1.448 0.238 -2.640 1.00 0.00 H HETATM 42 H2E2 B3L A 2 1.418 1.951 -2.222 1.00 0.00 H HETATM 43 H1E2 B3L A 2 1.564 0.735 -0.952 1.00 0.00 H HETATM 44 H3E1 B3L A 2 4.827 1.799 -3.439 1.00 0.00 H HETATM 45 H2E1 B3L A 2 3.254 2.586 -3.567 1.00 0.00 H HETATM 46 H1E1 B3L A 2 3.484 0.964 -4.221 1.00 0.00 H ATOM 47 N ALA A 3 7.527 3.869 0.774 1.00 0.00 N ATOM 48 CA ALA A 3 8.620 4.182 1.696 1.00 0.00 C ATOM 49 C ALA A 3 9.626 3.027 1.729 1.00 0.00 C ATOM 50 O ALA A 3 10.835 3.250 1.798 1.00 0.00 O ATOM 51 CB ALA A 3 8.094 4.485 3.095 1.00 0.00 C ATOM 52 H ALA A 3 7.697 3.985 -0.183 1.00 0.00 H ATOM 53 HA ALA A 3 9.119 5.066 1.326 1.00 0.00 H ATOM 54 HB1 ALA A 3 7.937 3.559 3.629 1.00 0.00 H ATOM 55 HB2 ALA A 3 7.159 5.020 3.021 1.00 0.00 H ATOM 56 HB3 ALA A 3 8.814 5.089 3.627 1.00 0.00 H HETATM 57 N UVR A 4 9.127 1.815 1.471 1.00 0.00 N HETATM 58 HN UVR A 4 8.172 1.725 1.302 1.00 0.00 H HETATM 59 CA UVR A 4 9.979 0.655 1.240 1.00 0.00 C HETATM 60 HA UVR A 4 11.000 0.996 1.171 1.00 0.00 H HETATM 61 CB UVR A 4 9.854 -0.336 2.396 1.00 0.00 C HETATM 62 HB1 UVR A 4 10.583 -1.121 2.266 1.00 0.00 H HETATM 63 HB2 UVR A 4 8.864 -0.768 2.377 1.00 0.00 H HETATM 64 CG UVR A 4 10.067 0.291 3.763 1.00 0.00 C HETATM 65 HG1 UVR A 4 10.795 1.085 3.674 1.00 0.00 H HETATM 66 HG2 UVR A 4 10.434 -0.463 4.442 1.00 0.00 H HETATM 67 CD UVR A 4 8.774 0.867 4.315 1.00 0.00 C HETATM 68 HD1 UVR A 4 7.947 0.515 3.712 1.00 0.00 H HETATM 69 HD2 UVR A 4 8.822 1.944 4.266 1.00 0.00 H HETATM 70 CE UVR A 4 8.546 0.449 5.759 1.00 0.00 C HETATM 71 HE1 UVR A 4 9.497 0.190 6.202 1.00 0.00 H HETATM 72 HE2 UVR A 4 7.893 -0.410 5.775 1.00 0.00 H HETATM 73 CF UVR A 4 7.911 1.568 6.570 1.00 0.00 C HETATM 74 HF1 UVR A 4 7.605 1.182 7.529 1.00 0.00 H HETATM 75 HF2 UVR A 4 7.054 1.951 6.033 1.00 0.00 H HETATM 76 CX UVR A 4 8.916 2.675 6.779 1.00 0.00 C HETATM 77 OX UVR A 4 8.601 3.841 6.548 1.00 0.00 O HETATM 78 CY UVR A 4 10.306 2.350 7.270 1.00 0.00 C HETATM 79 HY1 UVR A 4 10.990 2.313 6.435 1.00 0.00 H HETATM 80 HY2 UVR A 4 10.297 1.400 7.787 1.00 0.00 H HETATM 81 CZ UVR A 4 10.776 3.423 8.226 1.00 0.00 C HETATM 82 HZ1 UVR A 4 10.868 3.128 9.261 1.00 0.00 H HETATM 83 HZ2 UVR A 4 10.264 4.374 8.204 1.00 0.00 H HETATM 84 HZ3 UVR A 4 11.837 3.626 8.225 1.00 0.00 H HETATM 85 C UVR A 4 9.585 -0.022 -0.074 1.00 0.00 C HETATM 86 O UVR A 4 10.188 0.239 -1.114 1.00 0.00 O TER 87 UVR A 4 ENDMDL MODEL 13 ATOM 1 N TRP A 1 8.464 -0.467 0.090 1.00 0.00 N ATOM 2 CA TRP A 1 7.653 -0.977 -1.014 1.00 0.00 C ATOM 3 C TRP A 1 6.781 0.140 -1.576 1.00 0.00 C ATOM 4 O TRP A 1 7.153 0.780 -2.560 1.00 0.00 O ATOM 5 CB TRP A 1 6.777 -2.157 -0.564 1.00 0.00 C ATOM 6 CG TRP A 1 6.794 -2.405 0.916 1.00 0.00 C ATOM 7 CD1 TRP A 1 6.037 -1.774 1.860 1.00 0.00 C ATOM 8 CD2 TRP A 1 7.608 -3.351 1.617 1.00 0.00 C ATOM 9 NE1 TRP A 1 6.331 -2.270 3.108 1.00 0.00 N ATOM 10 CE2 TRP A 1 7.293 -3.240 2.985 1.00 0.00 C ATOM 11 CE3 TRP A 1 8.572 -4.283 1.222 1.00 0.00 C ATOM 12 CZ2 TRP A 1 7.907 -4.024 3.958 1.00 0.00 C ATOM 13 CZ3 TRP A 1 9.182 -5.061 2.189 1.00 0.00 C ATOM 14 CH2 TRP A 1 8.847 -4.927 3.542 1.00 0.00 C ATOM 15 H1 TRP A 1 8.031 -0.286 0.950 1.00 0.00 H ATOM 16 HA TRP A 1 8.325 -1.312 -1.788 1.00 0.00 H ATOM 17 HB2 TRP A 1 5.754 -1.968 -0.855 1.00 0.00 H ATOM 18 HB3 TRP A 1 7.121 -3.055 -1.056 1.00 0.00 H ATOM 19 HD1 TRP A 1 5.317 -0.999 1.646 1.00 0.00 H ATOM 20 HE1 TRP A 1 5.920 -1.979 3.949 1.00 0.00 H ATOM 21 HE3 TRP A 1 8.843 -4.399 0.183 1.00 0.00 H ATOM 22 HZ2 TRP A 1 7.660 -3.935 5.005 1.00 0.00 H ATOM 23 HZ3 TRP A 1 9.930 -5.785 1.902 1.00 0.00 H ATOM 24 HH2 TRP A 1 9.350 -5.555 4.263 1.00 0.00 H HETATM 25 O B3L A 2 7.238 4.518 -0.565 1.00 0.00 O HETATM 26 C B3L A 2 6.759 3.611 0.115 1.00 0.00 C HETATM 27 CA B3L A 2 5.349 3.141 -0.085 1.00 0.00 C HETATM 28 CB B3L A 2 5.209 1.864 -0.963 1.00 0.00 C HETATM 29 N B3L A 2 5.830 0.579 -0.760 1.00 0.00 N HETATM 30 CG B3L A 2 3.749 1.874 -0.477 1.00 0.00 C HETATM 31 CD B3L A 2 2.854 0.823 -1.134 1.00 0.00 C HETATM 32 CE2 B3L A 2 1.560 0.660 -0.352 1.00 0.00 C HETATM 33 CE1 B3L A 2 2.564 1.199 -2.578 1.00 0.00 C HETATM 34 HA B3L A 2 4.789 3.949 -0.535 1.00 0.00 H HETATM 35 HAA B3L A 2 4.945 2.926 0.893 1.00 0.00 H HETATM 36 HB B3L A 2 5.166 2.072 -2.002 1.00 0.00 H HETATM 37 HN B3L A 2 5.760 0.192 0.120 1.00 0.00 H HETATM 38 HG B3L A 2 3.317 2.845 -0.675 1.00 0.00 H HETATM 39 HGA B3L A 2 3.737 1.699 0.591 1.00 0.00 H HETATM 40 HD B3L A 2 3.366 -0.128 -1.132 1.00 0.00 H HETATM 41 H3E2 B3L A 2 0.823 0.172 -0.973 1.00 0.00 H HETATM 42 H2E2 B3L A 2 1.195 1.632 -0.056 1.00 0.00 H HETATM 43 H1E2 B3L A 2 1.744 0.061 0.528 1.00 0.00 H HETATM 44 H3E1 B3L A 2 1.772 0.572 -2.962 1.00 0.00 H HETATM 45 H2E1 B3L A 2 3.454 1.059 -3.173 1.00 0.00 H HETATM 46 H1E1 B3L A 2 2.257 2.234 -2.626 1.00 0.00 H ATOM 47 N ALA A 3 7.248 3.259 1.299 1.00 0.00 N ATOM 48 CA ALA A 3 8.444 3.867 1.831 1.00 0.00 C ATOM 49 C ALA A 3 9.645 2.984 1.512 1.00 0.00 C ATOM 50 O ALA A 3 10.646 3.452 0.972 1.00 0.00 O ATOM 51 CB ALA A 3 8.315 4.088 3.330 1.00 0.00 C ATOM 52 H ALA A 3 6.951 2.428 1.692 1.00 0.00 H ATOM 53 HA ALA A 3 8.562 4.815 1.352 1.00 0.00 H ATOM 54 HB1 ALA A 3 7.678 3.324 3.753 1.00 0.00 H ATOM 55 HB2 ALA A 3 7.882 5.060 3.515 1.00 0.00 H ATOM 56 HB3 ALA A 3 9.291 4.036 3.788 1.00 0.00 H HETATM 57 N UVR A 4 9.419 1.674 1.612 1.00 0.00 N HETATM 58 HN UVR A 4 8.535 1.372 1.904 1.00 0.00 H HETATM 59 CA UVR A 4 10.352 0.688 1.080 1.00 0.00 C HETATM 60 HA UVR A 4 11.231 1.211 0.734 1.00 0.00 H HETATM 61 CB UVR A 4 10.754 -0.308 2.170 1.00 0.00 C HETATM 62 HB1 UVR A 4 11.569 -0.914 1.803 1.00 0.00 H HETATM 63 HB2 UVR A 4 9.911 -0.948 2.386 1.00 0.00 H HETATM 64 CG UVR A 4 11.196 0.352 3.465 1.00 0.00 C HETATM 65 HG1 UVR A 4 11.837 1.188 3.231 1.00 0.00 H HETATM 66 HG2 UVR A 4 11.741 -0.368 4.057 1.00 0.00 H HETATM 67 CD UVR A 4 10.006 0.851 4.270 1.00 0.00 C HETATM 68 HD1 UVR A 4 9.148 0.235 4.045 1.00 0.00 H HETATM 69 HD2 UVR A 4 9.800 1.874 3.992 1.00 0.00 H HETATM 70 CE UVR A 4 10.279 0.792 5.764 1.00 0.00 C HETATM 71 HE1 UVR A 4 10.746 -0.154 5.997 1.00 0.00 H HETATM 72 HE2 UVR A 4 9.342 0.873 6.294 1.00 0.00 H HETATM 73 CF UVR A 4 11.196 1.922 6.209 1.00 0.00 C HETATM 74 HF1 UVR A 4 10.839 2.322 7.146 1.00 0.00 H HETATM 75 HF2 UVR A 4 11.197 2.697 5.454 1.00 0.00 H HETATM 76 CX UVR A 4 12.599 1.398 6.399 1.00 0.00 C HETATM 77 OX UVR A 4 12.884 0.756 7.409 1.00 0.00 O HETATM 78 CY UVR A 4 13.653 1.660 5.349 1.00 0.00 C HETATM 79 HY1 UVR A 4 14.364 2.383 5.717 1.00 0.00 H HETATM 80 HY2 UVR A 4 13.183 2.026 4.446 1.00 0.00 H HETATM 81 CZ UVR A 4 14.392 0.379 5.032 1.00 0.00 C HETATM 82 HZ1 UVR A 4 13.776 -0.476 4.796 1.00 0.00 H HETATM 83 HZ2 UVR A 4 15.148 0.052 5.729 1.00 0.00 H HETATM 84 HZ3 UVR A 4 14.811 0.309 4.040 1.00 0.00 H HETATM 85 C UVR A 4 9.716 -0.049 -0.097 1.00 0.00 C HETATM 86 O UVR A 4 10.269 -0.070 -1.196 1.00 0.00 O TER 87 UVR A 4 ENDMDL MODEL 14 ATOM 1 N TRP A 1 8.464 -0.464 0.092 1.00 0.00 N ATOM 2 CA TRP A 1 7.650 -0.981 -1.008 1.00 0.00 C ATOM 3 C TRP A 1 6.778 0.134 -1.575 1.00 0.00 C ATOM 4 O TRP A 1 7.152 0.770 -2.561 1.00 0.00 O ATOM 5 CB TRP A 1 6.772 -2.156 -0.547 1.00 0.00 C ATOM 6 CG TRP A 1 6.776 -2.380 0.937 1.00 0.00 C ATOM 7 CD1 TRP A 1 5.985 -1.760 1.862 1.00 0.00 C ATOM 8 CD2 TRP A 1 7.609 -3.288 1.665 1.00 0.00 C ATOM 9 NE1 TRP A 1 6.276 -2.228 3.121 1.00 0.00 N ATOM 10 CE2 TRP A 1 7.270 -3.166 3.026 1.00 0.00 C ATOM 11 CE3 TRP A 1 8.610 -4.194 1.299 1.00 0.00 C ATOM 12 CZ2 TRP A 1 7.896 -3.915 4.020 1.00 0.00 C ATOM 13 CZ3 TRP A 1 9.230 -4.937 2.287 1.00 0.00 C ATOM 14 CH2 TRP A 1 8.870 -4.794 3.633 1.00 0.00 C ATOM 15 H1 TRP A 1 8.034 -0.281 0.953 1.00 0.00 H ATOM 16 HA TRP A 1 8.318 -1.323 -1.781 1.00 0.00 H ATOM 17 HB2 TRP A 1 5.752 -1.974 -0.849 1.00 0.00 H ATOM 18 HB3 TRP A 1 7.123 -3.061 -1.021 1.00 0.00 H ATOM 19 HD1 TRP A 1 5.244 -1.012 1.624 1.00 0.00 H ATOM 20 HE1 TRP A 1 5.844 -1.936 3.950 1.00 0.00 H ATOM 21 HE3 TRP A 1 8.900 -4.319 0.266 1.00 0.00 H ATOM 22 HZ2 TRP A 1 7.630 -3.817 5.062 1.00 0.00 H ATOM 23 HZ3 TRP A 1 10.005 -5.641 2.023 1.00 0.00 H ATOM 24 HH2 TRP A 1 9.382 -5.395 4.371 1.00 0.00 H HETATM 25 O B3L A 2 7.245 4.516 -0.565 1.00 0.00 O HETATM 26 C B3L A 2 6.763 3.609 0.113 1.00 0.00 C HETATM 27 CA B3L A 2 5.352 3.144 -0.092 1.00 0.00 C HETATM 28 CB B3L A 2 5.211 1.867 -0.969 1.00 0.00 C HETATM 29 N B3L A 2 5.827 0.579 -0.761 1.00 0.00 N HETATM 30 CG B3L A 2 3.751 1.884 -0.489 1.00 0.00 C HETATM 31 CD B3L A 2 2.847 0.856 -1.170 1.00 0.00 C HETATM 32 CE2 B3L A 2 1.497 0.785 -0.471 1.00 0.00 C HETATM 33 CE1 B3L A 2 2.669 1.198 -2.642 1.00 0.00 C HETATM 34 HA B3L A 2 4.797 3.953 -0.543 1.00 0.00 H HETATM 35 HAA B3L A 2 4.944 2.931 0.886 1.00 0.00 H HETATM 36 HB B3L A 2 5.175 2.073 -2.008 1.00 0.00 H HETATM 37 HN B3L A 2 5.757 0.197 0.120 1.00 0.00 H HETATM 38 HG B3L A 2 3.330 2.863 -0.669 1.00 0.00 H HETATM 39 HGA B3L A 2 3.732 1.687 0.576 1.00 0.00 H HETATM 40 HD B3L A 2 3.307 -0.120 -1.105 1.00 0.00 H HETATM 41 H3E2 B3L A 2 1.202 1.775 -0.156 1.00 0.00 H HETATM 42 H2E2 B3L A 2 1.572 0.140 0.392 1.00 0.00 H HETATM 43 H1E2 B3L A 2 0.759 0.390 -1.152 1.00 0.00 H HETATM 44 H3E1 B3L A 2 3.594 1.016 -3.168 1.00 0.00 H HETATM 45 H2E1 B3L A 2 2.398 2.239 -2.740 1.00 0.00 H HETATM 46 H1E1 B3L A 2 1.888 0.582 -3.063 1.00 0.00 H ATOM 47 N ALA A 3 7.249 3.257 1.299 1.00 0.00 N ATOM 48 CA ALA A 3 8.442 3.865 1.836 1.00 0.00 C ATOM 49 C ALA A 3 9.645 2.985 1.518 1.00 0.00 C ATOM 50 O ALA A 3 10.646 3.458 0.981 1.00 0.00 O ATOM 51 CB ALA A 3 8.307 4.082 3.336 1.00 0.00 C ATOM 52 H ALA A 3 6.949 2.427 1.691 1.00 0.00 H ATOM 53 HA ALA A 3 8.559 4.815 1.361 1.00 0.00 H ATOM 54 HB1 ALA A 3 8.664 3.206 3.859 1.00 0.00 H ATOM 55 HB2 ALA A 3 7.270 4.251 3.584 1.00 0.00 H ATOM 56 HB3 ALA A 3 8.893 4.939 3.630 1.00 0.00 H HETATM 57 N UVR A 4 9.421 1.675 1.609 1.00 0.00 N HETATM 58 HN UVR A 4 8.537 1.370 1.899 1.00 0.00 H HETATM 59 CA UVR A 4 10.354 0.694 1.073 1.00 0.00 C HETATM 60 HA UVR A 4 11.229 1.221 0.721 1.00 0.00 H HETATM 61 CB UVR A 4 10.767 -0.301 2.159 1.00 0.00 C HETATM 62 HB1 UVR A 4 11.615 -0.870 1.807 1.00 0.00 H HETATM 63 HB2 UVR A 4 9.944 -0.975 2.344 1.00 0.00 H HETATM 64 CG UVR A 4 11.147 0.359 3.475 1.00 0.00 C HETATM 65 HG1 UVR A 4 11.703 1.261 3.266 1.00 0.00 H HETATM 66 HG2 UVR A 4 11.764 -0.323 4.042 1.00 0.00 H HETATM 67 CD UVR A 4 9.918 0.714 4.297 1.00 0.00 C HETATM 68 HD1 UVR A 4 9.040 0.625 3.673 1.00 0.00 H HETATM 69 HD2 UVR A 4 10.011 1.732 4.644 1.00 0.00 H HETATM 70 CE UVR A 4 9.765 -0.203 5.500 1.00 0.00 C HETATM 71 HE1 UVR A 4 10.746 -0.499 5.842 1.00 0.00 H HETATM 72 HE2 UVR A 4 9.205 -1.077 5.205 1.00 0.00 H HETATM 73 CF UVR A 4 9.033 0.490 6.639 1.00 0.00 C HETATM 74 HF1 UVR A 4 8.343 1.213 6.231 1.00 0.00 H HETATM 75 HF2 UVR A 4 9.754 0.986 7.275 1.00 0.00 H HETATM 76 CX UVR A 4 8.263 -0.529 7.443 1.00 0.00 C HETATM 77 OX UVR A 4 8.630 -0.819 8.580 1.00 0.00 O HETATM 78 CY UVR A 4 7.042 -1.193 6.851 1.00 0.00 C HETATM 79 HY1 UVR A 4 7.147 -1.261 5.779 1.00 0.00 H HETATM 80 HY2 UVR A 4 6.159 -0.622 7.104 1.00 0.00 H HETATM 81 CZ UVR A 4 6.897 -2.591 7.408 1.00 0.00 C HETATM 82 HZ1 UVR A 4 6.136 -3.207 6.952 1.00 0.00 H HETATM 83 HZ2 UVR A 4 6.801 -2.697 8.479 1.00 0.00 H HETATM 84 HZ3 UVR A 4 7.630 -3.311 7.076 1.00 0.00 H HETATM 85 C UVR A 4 9.715 -0.047 -0.100 1.00 0.00 C HETATM 86 O UVR A 4 10.265 -0.075 -1.201 1.00 0.00 O TER 87 UVR A 4 ENDMDL MODEL 15 ATOM 1 N TRP A 1 8.434 -0.682 -0.020 1.00 0.00 N ATOM 2 CA TRP A 1 7.729 -1.061 -1.242 1.00 0.00 C ATOM 3 C TRP A 1 6.898 0.121 -1.723 1.00 0.00 C ATOM 4 O TRP A 1 7.351 0.879 -2.581 1.00 0.00 O ATOM 5 CB TRP A 1 6.828 -2.287 -1.020 1.00 0.00 C ATOM 6 CG TRP A 1 6.695 -2.706 0.415 1.00 0.00 C ATOM 7 CD1 TRP A 1 5.883 -2.149 1.361 1.00 0.00 C ATOM 8 CD2 TRP A 1 7.394 -3.774 1.064 1.00 0.00 C ATOM 9 NE1 TRP A 1 6.035 -2.806 2.559 1.00 0.00 N ATOM 10 CE2 TRP A 1 6.957 -3.808 2.402 1.00 0.00 C ATOM 11 CE3 TRP A 1 8.347 -4.707 0.643 1.00 0.00 C ATOM 12 CZ2 TRP A 1 7.441 -4.738 3.321 1.00 0.00 C ATOM 13 CZ3 TRP A 1 8.826 -5.629 1.555 1.00 0.00 C ATOM 14 CH2 TRP A 1 8.373 -5.639 2.880 1.00 0.00 C ATOM 15 H1 TRP A 1 7.935 -0.671 0.822 1.00 0.00 H ATOM 16 HA TRP A 1 8.469 -1.295 -1.994 1.00 0.00 H ATOM 17 HB2 TRP A 1 5.839 -2.067 -1.390 1.00 0.00 H ATOM 18 HB3 TRP A 1 7.232 -3.123 -1.573 1.00 0.00 H ATOM 19 HD1 TRP A 1 5.223 -1.313 1.181 1.00 0.00 H ATOM 20 HE1 TRP A 1 5.560 -2.591 3.389 1.00 0.00 H ATOM 21 HE3 TRP A 1 8.710 -4.714 -0.374 1.00 0.00 H ATOM 22 HZ2 TRP A 1 7.101 -4.760 4.345 1.00 0.00 H ATOM 23 HZ3 TRP A 1 9.563 -6.356 1.248 1.00 0.00 H ATOM 24 HH2 TRP A 1 8.775 -6.377 3.559 1.00 0.00 H HETATM 25 O B3L A 2 6.577 2.442 2.220 1.00 0.00 O HETATM 26 C B3L A 2 6.549 3.000 1.122 1.00 0.00 C HETATM 27 CA B3L A 2 5.316 2.855 0.279 1.00 0.00 C HETATM 28 CB B3L A 2 5.435 1.841 -0.892 1.00 0.00 C HETATM 29 N B3L A 2 5.937 0.494 -0.886 1.00 0.00 N HETATM 30 CG B3L A 2 3.901 1.877 -0.926 1.00 0.00 C HETATM 31 CD B3L A 2 3.270 0.915 -1.934 1.00 0.00 C HETATM 32 CE2 B3L A 2 1.753 1.007 -1.886 1.00 0.00 C HETATM 33 CE1 B3L A 2 3.780 1.203 -3.338 1.00 0.00 C HETATM 34 HA B3L A 2 5.060 3.826 -0.117 1.00 0.00 H HETATM 35 HAA B3L A 2 4.531 2.520 0.937 1.00 0.00 H HETATM 36 HB B3L A 2 5.755 2.316 -1.783 1.00 0.00 H HETATM 37 HN B3L A 2 5.822 -0.003 -0.068 1.00 0.00 H HETATM 38 HG B3L A 2 3.580 2.879 -1.174 1.00 0.00 H HETATM 39 HGA B3L A 2 3.522 1.621 0.055 1.00 0.00 H HETATM 40 HD B3L A 2 3.551 -0.097 -1.676 1.00 0.00 H HETATM 41 H3E2 B3L A 2 1.427 1.046 -0.856 1.00 0.00 H HETATM 42 H2E2 B3L A 2 1.324 0.140 -2.365 1.00 0.00 H HETATM 43 H1E2 B3L A 2 1.429 1.900 -2.400 1.00 0.00 H HETATM 44 H3E1 B3L A 2 4.844 1.385 -3.305 1.00 0.00 H HETATM 45 H2E1 B3L A 2 3.278 2.074 -3.732 1.00 0.00 H HETATM 46 H1E1 B3L A 2 3.579 0.355 -3.976 1.00 0.00 H ATOM 47 N ALA A 3 7.517 3.843 0.771 1.00 0.00 N ATOM 48 CA ALA A 3 8.608 4.163 1.692 1.00 0.00 C ATOM 49 C ALA A 3 9.634 3.027 1.708 1.00 0.00 C ATOM 50 O ALA A 3 10.840 3.271 1.756 1.00 0.00 O ATOM 51 CB ALA A 3 8.081 4.435 3.096 1.00 0.00 C ATOM 52 H ALA A 3 7.678 3.975 -0.184 1.00 0.00 H ATOM 53 HA ALA A 3 9.090 5.062 1.333 1.00 0.00 H ATOM 54 HB1 ALA A 3 7.124 4.934 3.030 1.00 0.00 H ATOM 55 HB2 ALA A 3 8.780 5.064 3.628 1.00 0.00 H ATOM 56 HB3 ALA A 3 7.964 3.500 3.624 1.00 0.00 H HETATM 57 N UVR A 4 9.152 1.808 1.456 1.00 0.00 N HETATM 58 HN UVR A 4 8.198 1.707 1.286 1.00 0.00 H HETATM 59 CA UVR A 4 10.022 0.661 1.216 1.00 0.00 C HETATM 60 HA UVR A 4 11.033 1.024 1.108 1.00 0.00 H HETATM 61 CB UVR A 4 9.959 -0.315 2.392 1.00 0.00 C HETATM 62 HB1 UVR A 4 10.616 -1.149 2.191 1.00 0.00 H HETATM 63 HB2 UVR A 4 8.947 -0.680 2.488 1.00 0.00 H HETATM 64 CG UVR A 4 10.369 0.304 3.717 1.00 0.00 C HETATM 65 HG1 UVR A 4 11.125 1.053 3.535 1.00 0.00 H HETATM 66 HG2 UVR A 4 10.769 -0.468 4.357 1.00 0.00 H HETATM 67 CD UVR A 4 9.184 0.955 4.410 1.00 0.00 C HETATM 68 HD1 UVR A 4 8.758 0.252 5.109 1.00 0.00 H HETATM 69 HD2 UVR A 4 8.448 1.220 3.666 1.00 0.00 H HETATM 70 CE UVR A 4 9.600 2.210 5.161 1.00 0.00 C HETATM 71 HE1 UVR A 4 8.722 2.811 5.351 1.00 0.00 H HETATM 72 HE2 UVR A 4 10.297 2.768 4.554 1.00 0.00 H HETATM 73 CF UVR A 4 10.263 1.871 6.487 1.00 0.00 C HETATM 74 HF1 UVR A 4 9.703 1.087 6.974 1.00 0.00 H HETATM 75 HF2 UVR A 4 10.283 2.754 7.111 1.00 0.00 H HETATM 76 CX UVR A 4 11.674 1.392 6.242 1.00 0.00 C HETATM 77 OX UVR A 4 12.024 0.283 6.643 1.00 0.00 O HETATM 78 CY UVR A 4 12.655 2.272 5.501 1.00 0.00 C HETATM 79 HY1 UVR A 4 12.396 2.306 4.454 1.00 0.00 H HETATM 80 HY2 UVR A 4 13.657 1.884 5.626 1.00 0.00 H HETATM 81 CZ UVR A 4 12.602 3.680 6.053 1.00 0.00 C HETATM 82 HZ1 UVR A 4 11.616 4.080 6.236 1.00 0.00 H HETATM 83 HZ2 UVR A 4 13.172 4.441 5.540 1.00 0.00 H HETATM 84 HZ3 UVR A 4 12.803 3.781 7.110 1.00 0.00 H HETATM 85 C UVR A 4 9.602 -0.042 -0.073 1.00 0.00 C HETATM 86 O UVR A 4 10.158 0.230 -1.137 1.00 0.00 O TER 87 UVR A 4 ENDMDL MODEL 16 ATOM 1 N TRP A 1 8.421 -0.652 -0.016 1.00 0.00 N ATOM 2 CA TRP A 1 7.734 -1.053 -1.243 1.00 0.00 C ATOM 3 C TRP A 1 6.882 0.109 -1.736 1.00 0.00 C ATOM 4 O TRP A 1 7.314 0.856 -2.615 1.00 0.00 O ATOM 5 CB TRP A 1 6.859 -2.296 -1.016 1.00 0.00 C ATOM 6 CG TRP A 1 6.629 -2.627 0.429 1.00 0.00 C ATOM 7 CD1 TRP A 1 5.667 -2.107 1.247 1.00 0.00 C ATOM 8 CD2 TRP A 1 7.376 -3.553 1.226 1.00 0.00 C ATOM 9 NE1 TRP A 1 5.771 -2.651 2.504 1.00 0.00 N ATOM 10 CE2 TRP A 1 6.813 -3.542 2.516 1.00 0.00 C ATOM 11 CE3 TRP A 1 8.466 -4.389 0.974 1.00 0.00 C ATOM 12 CZ2 TRP A 1 7.304 -4.335 3.550 1.00 0.00 C ATOM 13 CZ3 TRP A 1 8.953 -5.177 2.000 1.00 0.00 C ATOM 14 CH2 TRP A 1 8.373 -5.145 3.274 1.00 0.00 C ATOM 15 H1 TRP A 1 7.901 -0.595 0.812 1.00 0.00 H ATOM 16 HA TRP A 1 8.485 -1.274 -1.987 1.00 0.00 H ATOM 17 HB2 TRP A 1 5.896 -2.137 -1.477 1.00 0.00 H ATOM 18 HB3 TRP A 1 7.336 -3.148 -1.481 1.00 0.00 H ATOM 19 HD1 TRP A 1 4.937 -1.373 0.939 1.00 0.00 H ATOM 20 HE1 TRP A 1 5.194 -2.438 3.267 1.00 0.00 H ATOM 21 HE3 TRP A 1 8.927 -4.427 -0.003 1.00 0.00 H ATOM 22 HZ2 TRP A 1 6.868 -4.323 4.538 1.00 0.00 H ATOM 23 HZ3 TRP A 1 9.796 -5.829 1.824 1.00 0.00 H ATOM 24 HH2 TRP A 1 8.787 -5.776 4.047 1.00 0.00 H HETATM 25 O B3L A 2 6.571 2.439 2.218 1.00 0.00 O HETATM 26 C B3L A 2 6.545 2.999 1.121 1.00 0.00 C HETATM 27 CA B3L A 2 5.314 2.854 0.276 1.00 0.00 C HETATM 28 CB B3L A 2 5.438 1.844 -0.898 1.00 0.00 C HETATM 29 N B3L A 2 5.935 0.494 -0.886 1.00 0.00 N HETATM 30 CG B3L A 2 3.905 1.892 -0.939 1.00 0.00 C HETATM 31 CD B3L A 2 3.274 1.088 -2.077 1.00 0.00 C HETATM 32 CE2 B3L A 2 1.762 1.246 -2.069 1.00 0.00 C HETATM 33 CE1 B3L A 2 3.852 1.519 -3.417 1.00 0.00 C HETATM 34 HA B3L A 2 5.059 3.826 -0.118 1.00 0.00 H HETATM 35 HAA B3L A 2 4.528 2.517 0.930 1.00 0.00 H HETATM 36 HB B3L A 2 5.767 2.318 -1.788 1.00 0.00 H HETATM 37 HN B3L A 2 5.839 0.011 -0.057 1.00 0.00 H HETATM 38 HG B3L A 2 3.588 2.921 -1.046 1.00 0.00 H HETATM 39 HGA B3L A 2 3.518 1.504 -0.005 1.00 0.00 H HETATM 40 HD B3L A 2 3.501 0.040 -1.935 1.00 0.00 H HETATM 41 H3E2 B3L A 2 1.477 2.020 -2.765 1.00 0.00 H HETATM 42 H2E2 B3L A 2 1.433 1.514 -1.076 1.00 0.00 H HETATM 43 H1E2 B3L A 2 1.302 0.312 -2.361 1.00 0.00 H HETATM 44 H3E1 B3L A 2 4.086 2.572 -3.384 1.00 0.00 H HETATM 45 H2E1 B3L A 2 3.128 1.335 -4.196 1.00 0.00 H HETATM 46 H1E1 B3L A 2 4.751 0.956 -3.620 1.00 0.00 H ATOM 47 N ALA A 3 7.515 3.842 0.775 1.00 0.00 N ATOM 48 CA ALA A 3 8.606 4.159 1.699 1.00 0.00 C ATOM 49 C ALA A 3 9.636 3.027 1.706 1.00 0.00 C ATOM 50 O ALA A 3 10.838 3.270 1.802 1.00 0.00 O ATOM 51 CB ALA A 3 8.079 4.419 3.106 1.00 0.00 C ATOM 52 H ALA A 3 7.677 3.978 -0.180 1.00 0.00 H ATOM 53 HA ALA A 3 9.085 5.062 1.345 1.00 0.00 H ATOM 54 HB1 ALA A 3 8.777 5.046 3.641 1.00 0.00 H ATOM 55 HB2 ALA A 3 7.967 3.480 3.627 1.00 0.00 H ATOM 56 HB3 ALA A 3 7.122 4.915 3.046 1.00 0.00 H HETATM 57 N UVR A 4 9.160 1.810 1.436 1.00 0.00 N HETATM 58 HN UVR A 4 8.206 1.702 1.274 1.00 0.00 H HETATM 59 CA UVR A 4 10.028 0.659 1.225 1.00 0.00 C HETATM 60 HA UVR A 4 11.042 1.014 1.124 1.00 0.00 H HETATM 61 CB UVR A 4 9.936 -0.290 2.417 1.00 0.00 C HETATM 62 HB1 UVR A 4 10.707 -1.040 2.328 1.00 0.00 H HETATM 63 HB2 UVR A 4 8.971 -0.771 2.400 1.00 0.00 H HETATM 64 CG UVR A 4 10.095 0.402 3.760 1.00 0.00 C HETATM 65 HG1 UVR A 4 10.808 1.207 3.658 1.00 0.00 H HETATM 66 HG2 UVR A 4 10.458 -0.313 4.483 1.00 0.00 H HETATM 67 CD UVR A 4 8.772 0.971 4.249 1.00 0.00 C HETATM 68 HD1 UVR A 4 8.056 0.943 3.440 1.00 0.00 H HETATM 69 HD2 UVR A 4 8.925 1.994 4.560 1.00 0.00 H HETATM 70 CE UVR A 4 8.221 0.178 5.425 1.00 0.00 C HETATM 71 HE1 UVR A 4 8.409 0.727 6.336 1.00 0.00 H HETATM 72 HE2 UVR A 4 8.722 -0.777 5.468 1.00 0.00 H HETATM 73 CF UVR A 4 6.725 -0.056 5.287 1.00 0.00 C HETATM 74 HF1 UVR A 4 6.556 -1.016 4.826 1.00 0.00 H HETATM 75 HF2 UVR A 4 6.299 0.728 4.674 1.00 0.00 H HETATM 76 CX UVR A 4 6.080 -0.041 6.651 1.00 0.00 C HETATM 77 OX UVR A 4 6.322 -0.939 7.455 1.00 0.00 O HETATM 78 CY UVR A 4 5.135 1.075 7.027 1.00 0.00 C HETATM 79 HY1 UVR A 4 4.715 1.514 6.136 1.00 0.00 H HETATM 80 HY2 UVR A 4 5.667 1.826 7.598 1.00 0.00 H HETATM 81 CZ UVR A 4 4.006 0.529 7.872 1.00 0.00 C HETATM 82 HZ1 UVR A 4 3.255 -0.042 7.344 1.00 0.00 H HETATM 83 HZ2 UVR A 4 3.490 1.216 8.526 1.00 0.00 H HETATM 84 HZ3 UVR A 4 4.231 -0.359 8.445 1.00 0.00 H HETATM 85 C UVR A 4 9.616 -0.065 -0.055 1.00 0.00 C HETATM 86 O UVR A 4 10.214 0.149 -1.110 1.00 0.00 O TER 87 UVR A 4 ENDMDL MODEL 17 ATOM 1 N TRP A 1 8.444 -0.526 -0.005 1.00 0.00 N ATOM 2 CA TRP A 1 7.718 -1.048 -1.162 1.00 0.00 C ATOM 3 C TRP A 1 6.673 -0.037 -1.634 1.00 0.00 C ATOM 4 O TRP A 1 6.691 0.376 -2.794 1.00 0.00 O ATOM 5 CB TRP A 1 7.074 -2.405 -0.828 1.00 0.00 C ATOM 6 CG TRP A 1 5.673 -2.320 -0.293 1.00 0.00 C ATOM 7 CD1 TRP A 1 5.261 -1.687 0.845 1.00 0.00 C ATOM 8 CD2 TRP A 1 4.499 -2.900 -0.874 1.00 0.00 C ATOM 9 NE1 TRP A 1 3.903 -1.834 1.003 1.00 0.00 N ATOM 10 CE2 TRP A 1 3.413 -2.576 -0.038 1.00 0.00 C ATOM 11 CE3 TRP A 1 4.261 -3.662 -2.022 1.00 0.00 C ATOM 12 CZ2 TRP A 1 2.111 -2.986 -0.315 1.00 0.00 C ATOM 13 CZ3 TRP A 1 2.968 -4.069 -2.295 1.00 0.00 C ATOM 14 CH2 TRP A 1 1.908 -3.731 -1.444 1.00 0.00 C ATOM 15 H1 TRP A 1 7.990 -0.485 0.862 1.00 0.00 H ATOM 16 HA TRP A 1 8.437 -1.192 -1.956 1.00 0.00 H ATOM 17 HB2 TRP A 1 7.047 -3.007 -1.722 1.00 0.00 H ATOM 18 HB3 TRP A 1 7.681 -2.905 -0.088 1.00 0.00 H ATOM 19 HD1 TRP A 1 5.917 -1.149 1.513 1.00 0.00 H ATOM 20 HE1 TRP A 1 3.374 -1.467 1.742 1.00 0.00 H ATOM 21 HE3 TRP A 1 5.065 -3.934 -2.689 1.00 0.00 H ATOM 22 HZ2 TRP A 1 1.283 -2.733 0.330 1.00 0.00 H ATOM 23 HZ3 TRP A 1 2.765 -4.660 -3.177 1.00 0.00 H ATOM 24 HH2 TRP A 1 0.915 -4.071 -1.697 1.00 0.00 H HETATM 25 O B3L A 2 7.263 4.548 -0.565 1.00 0.00 O HETATM 26 C B3L A 2 6.773 3.670 0.146 1.00 0.00 C HETATM 27 CA B3L A 2 5.387 3.150 -0.083 1.00 0.00 C HETATM 28 CB B3L A 2 5.321 1.832 -0.907 1.00 0.00 C HETATM 29 N B3L A 2 6.017 0.592 -0.665 1.00 0.00 N HETATM 30 CG B3L A 2 3.863 1.773 -0.428 1.00 0.00 C HETATM 31 CD B3L A 2 3.037 0.646 -1.048 1.00 0.00 C HETATM 32 CE2 B3L A 2 1.723 0.474 -0.305 1.00 0.00 C HETATM 33 CE1 B3L A 2 2.786 0.918 -2.524 1.00 0.00 C HETATM 34 HA B3L A 2 4.820 3.918 -0.588 1.00 0.00 H HETATM 35 HAA B3L A 2 4.956 2.966 0.888 1.00 0.00 H HETATM 36 HB B3L A 2 5.278 2.007 -1.952 1.00 0.00 H HETATM 37 HN B3L A 2 6.249 0.398 0.251 1.00 0.00 H HETATM 38 HG B3L A 2 3.375 2.709 -0.665 1.00 0.00 H HETATM 39 HGA B3L A 2 3.855 1.636 0.645 1.00 0.00 H HETATM 40 HD B3L A 2 3.589 -0.281 -0.968 1.00 0.00 H HETATM 41 H3E2 B3L A 2 1.460 -0.573 -0.272 1.00 0.00 H HETATM 42 H2E2 B3L A 2 0.946 1.023 -0.815 1.00 0.00 H HETATM 43 H1E2 B3L A 2 1.827 0.850 0.703 1.00 0.00 H HETATM 44 H3E1 B3L A 2 2.620 -0.016 -3.040 1.00 0.00 H HETATM 45 H2E1 B3L A 2 3.644 1.417 -2.948 1.00 0.00 H HETATM 46 H1E1 B3L A 2 1.915 1.548 -2.630 1.00 0.00 H ATOM 47 N ALA A 3 7.249 3.362 1.345 1.00 0.00 N ATOM 48 CA ALA A 3 8.471 3.946 1.840 1.00 0.00 C ATOM 49 C ALA A 3 9.631 2.999 1.551 1.00 0.00 C ATOM 50 O ALA A 3 10.685 3.419 1.074 1.00 0.00 O ATOM 51 CB ALA A 3 8.365 4.239 3.329 1.00 0.00 C ATOM 52 H ALA A 3 6.945 2.543 1.760 1.00 0.00 H ATOM 53 HA ALA A 3 8.622 4.865 1.317 1.00 0.00 H ATOM 54 HB1 ALA A 3 7.488 4.840 3.516 1.00 0.00 H ATOM 55 HB2 ALA A 3 9.245 4.776 3.653 1.00 0.00 H ATOM 56 HB3 ALA A 3 8.289 3.310 3.874 1.00 0.00 H HETATM 57 N UVR A 4 9.330 1.699 1.619 1.00 0.00 N HETATM 58 HN UVR A 4 8.422 1.439 1.879 1.00 0.00 H HETATM 59 CA UVR A 4 10.234 0.667 1.129 1.00 0.00 C HETATM 60 HA UVR A 4 11.174 1.138 0.882 1.00 0.00 H HETATM 61 CB UVR A 4 10.469 -0.396 2.205 1.00 0.00 C HETATM 62 HB1 UVR A 4 11.278 -1.038 1.886 1.00 0.00 H HETATM 63 HB2 UVR A 4 9.575 -0.988 2.310 1.00 0.00 H HETATM 64 CG UVR A 4 10.830 0.178 3.568 1.00 0.00 C HETATM 65 HG1 UVR A 4 11.449 1.052 3.425 1.00 0.00 H HETATM 66 HG2 UVR A 4 11.380 -0.565 4.124 1.00 0.00 H HETATM 67 CD UVR A 4 9.593 0.573 4.366 1.00 0.00 C HETATM 68 HD1 UVR A 4 9.082 1.369 3.846 1.00 0.00 H HETATM 69 HD2 UVR A 4 9.905 0.924 5.338 1.00 0.00 H HETATM 70 CE UVR A 4 8.631 -0.594 4.553 1.00 0.00 C HETATM 71 HE1 UVR A 4 8.184 -0.835 3.600 1.00 0.00 H HETATM 72 HE2 UVR A 4 7.859 -0.299 5.248 1.00 0.00 H HETATM 73 CF UVR A 4 9.335 -1.828 5.098 1.00 0.00 C HETATM 74 HF1 UVR A 4 9.708 -1.617 6.088 1.00 0.00 H HETATM 75 HF2 UVR A 4 10.153 -2.088 4.441 1.00 0.00 H HETATM 76 CX UVR A 4 8.358 -2.976 5.173 1.00 0.00 C HETATM 77 OX UVR A 4 7.748 -3.198 6.216 1.00 0.00 O HETATM 78 CY UVR A 4 8.130 -3.852 3.962 1.00 0.00 C HETATM 79 HY1 UVR A 4 8.061 -4.885 4.268 1.00 0.00 H HETATM 80 HY2 UVR A 4 8.943 -3.724 3.262 1.00 0.00 H HETATM 81 CZ UVR A 4 6.834 -3.465 3.286 1.00 0.00 C HETATM 82 HZ1 UVR A 4 5.943 -3.949 3.658 1.00 0.00 H HETATM 83 HZ2 UVR A 4 6.800 -3.507 2.207 1.00 0.00 H HETATM 84 HZ3 UVR A 4 6.407 -2.521 3.588 1.00 0.00 H HETATM 85 C UVR A 4 9.657 0.016 -0.128 1.00 0.00 C HETATM 86 O UVR A 4 10.242 0.107 -1.208 1.00 0.00 O TER 87 UVR A 4 ENDMDL MODEL 18 ATOM 1 N TRP A 1 8.410 -0.653 -0.068 1.00 0.00 N ATOM 2 CA TRP A 1 7.781 -1.063 -1.319 1.00 0.00 C ATOM 3 C TRP A 1 6.817 0.029 -1.777 1.00 0.00 C ATOM 4 O TRP A 1 7.069 0.683 -2.789 1.00 0.00 O ATOM 5 CB TRP A 1 7.069 -2.419 -1.145 1.00 0.00 C ATOM 6 CG TRP A 1 5.569 -2.349 -1.103 1.00 0.00 C ATOM 7 CD1 TRP A 1 4.793 -1.922 -0.063 1.00 0.00 C ATOM 8 CD2 TRP A 1 4.665 -2.733 -2.146 1.00 0.00 C ATOM 9 NE1 TRP A 1 3.464 -2.010 -0.398 1.00 0.00 N ATOM 10 CE2 TRP A 1 3.359 -2.506 -1.671 1.00 0.00 C ATOM 11 CE3 TRP A 1 4.833 -3.243 -3.436 1.00 0.00 C ATOM 12 CZ2 TRP A 1 2.230 -2.773 -2.440 1.00 0.00 C ATOM 13 CZ3 TRP A 1 3.711 -3.508 -4.199 1.00 0.00 C ATOM 14 CH2 TRP A 1 2.424 -3.272 -3.700 1.00 0.00 C ATOM 15 H1 TRP A 1 7.866 -0.641 0.746 1.00 0.00 H ATOM 16 HA TRP A 1 8.561 -1.167 -2.060 1.00 0.00 H ATOM 17 HB2 TRP A 1 7.342 -3.063 -1.967 1.00 0.00 H ATOM 18 HB3 TRP A 1 7.406 -2.871 -0.223 1.00 0.00 H ATOM 19 HD1 TRP A 1 5.184 -1.564 0.879 1.00 0.00 H ATOM 20 HE1 TRP A 1 2.714 -1.760 0.181 1.00 0.00 H ATOM 21 HE3 TRP A 1 5.817 -3.431 -3.838 1.00 0.00 H ATOM 22 HZ2 TRP A 1 1.230 -2.597 -2.070 1.00 0.00 H ATOM 23 HZ3 TRP A 1 3.821 -3.903 -5.198 1.00 0.00 H ATOM 24 HH2 TRP A 1 1.576 -3.494 -4.330 1.00 0.00 H HETATM 25 O B3L A 2 6.556 2.517 2.243 1.00 0.00 O HETATM 26 C B3L A 2 6.544 3.048 1.132 1.00 0.00 C HETATM 27 CA B3L A 2 5.329 2.863 0.273 1.00 0.00 C HETATM 28 CB B3L A 2 5.484 1.825 -0.870 1.00 0.00 C HETATM 29 N B3L A 2 6.021 0.491 -0.816 1.00 0.00 N HETATM 30 CG B3L A 2 3.950 1.831 -0.925 1.00 0.00 C HETATM 31 CD B3L A 2 3.352 0.981 -2.046 1.00 0.00 C HETATM 32 CE2 B3L A 2 1.834 1.063 -2.027 1.00 0.00 C HETATM 33 CE1 B3L A 2 3.896 1.423 -3.397 1.00 0.00 C HETATM 34 HA B3L A 2 5.065 3.820 -0.149 1.00 0.00 H HETATM 35 HAA B3L A 2 4.538 2.531 0.925 1.00 0.00 H HETATM 36 HB B3L A 2 5.810 2.286 -1.768 1.00 0.00 H HETATM 37 HN B3L A 2 6.086 0.096 0.063 1.00 0.00 H HETATM 38 HG B3L A 2 3.607 2.848 -1.059 1.00 0.00 H HETATM 39 HGA B3L A 2 3.566 1.455 0.015 1.00 0.00 H HETATM 40 HD B3L A 2 3.632 -0.051 -1.892 1.00 0.00 H HETATM 41 H3E2 B3L A 2 1.480 0.954 -1.013 1.00 0.00 H HETATM 42 H2E2 B3L A 2 1.423 0.274 -2.639 1.00 0.00 H HETATM 43 H1E2 B3L A 2 1.520 2.021 -2.416 1.00 0.00 H HETATM 44 H3E1 B3L A 2 3.548 0.747 -4.163 1.00 0.00 H HETATM 45 H2E1 B3L A 2 4.976 1.414 -3.370 1.00 0.00 H HETATM 46 H1E1 B3L A 2 3.549 2.423 -3.614 1.00 0.00 H ATOM 47 N ALA A 3 7.526 3.872 0.773 1.00 0.00 N ATOM 48 CA ALA A 3 8.621 4.180 1.694 1.00 0.00 C ATOM 49 C ALA A 3 9.626 3.025 1.716 1.00 0.00 C ATOM 50 O ALA A 3 10.834 3.246 1.801 1.00 0.00 O ATOM 51 CB ALA A 3 8.101 4.470 3.098 1.00 0.00 C ATOM 52 H ALA A 3 7.697 3.981 -0.184 1.00 0.00 H ATOM 53 HA ALA A 3 9.119 5.067 1.328 1.00 0.00 H ATOM 54 HB1 ALA A 3 8.799 5.113 3.614 1.00 0.00 H ATOM 55 HB2 ALA A 3 7.997 3.542 3.641 1.00 0.00 H ATOM 56 HB3 ALA A 3 7.141 4.960 3.032 1.00 0.00 H HETATM 57 N UVR A 4 9.125 1.814 1.463 1.00 0.00 N HETATM 58 HN UVR A 4 8.168 1.723 1.307 1.00 0.00 H HETATM 59 CA UVR A 4 9.970 0.646 1.258 1.00 0.00 C HETATM 60 HA UVR A 4 10.995 0.977 1.206 1.00 0.00 H HETATM 61 CB UVR A 4 9.812 -0.331 2.422 1.00 0.00 C HETATM 62 HB1 UVR A 4 10.587 -1.080 2.358 1.00 0.00 H HETATM 63 HB2 UVR A 4 8.849 -0.811 2.340 1.00 0.00 H HETATM 64 CG UVR A 4 9.895 0.329 3.786 1.00 0.00 C HETATM 65 HG1 UVR A 4 10.583 1.159 3.733 1.00 0.00 H HETATM 66 HG2 UVR A 4 10.252 -0.394 4.504 1.00 0.00 H HETATM 67 CD UVR A 4 8.536 0.839 4.233 1.00 0.00 C HETATM 68 HD1 UVR A 4 7.985 1.168 3.364 1.00 0.00 H HETATM 69 HD2 UVR A 4 8.678 1.671 4.907 1.00 0.00 H HETATM 70 CE UVR A 4 7.738 -0.242 4.943 1.00 0.00 C HETATM 71 HE1 UVR A 4 7.756 -1.140 4.344 1.00 0.00 H HETATM 72 HE2 UVR A 4 6.718 0.094 5.059 1.00 0.00 H HETATM 73 CF UVR A 4 8.312 -0.552 6.318 1.00 0.00 C HETATM 74 HF1 UVR A 4 8.261 0.332 6.933 1.00 0.00 H HETATM 75 HF2 UVR A 4 9.341 -0.867 6.208 1.00 0.00 H HETATM 76 CX UVR A 4 7.509 -1.654 6.964 1.00 0.00 C HETATM 77 OX UVR A 4 6.301 -1.511 7.140 1.00 0.00 O HETATM 78 CY UVR A 4 8.190 -2.932 7.394 1.00 0.00 C HETATM 79 HY1 UVR A 4 8.263 -2.962 8.470 1.00 0.00 H HETATM 80 HY2 UVR A 4 9.175 -2.986 6.952 1.00 0.00 H HETATM 81 CZ UVR A 4 7.380 -4.124 6.935 1.00 0.00 C HETATM 82 HZ1 UVR A 4 6.461 -4.306 7.473 1.00 0.00 H HETATM 83 HZ2 UVR A 4 7.892 -5.071 6.837 1.00 0.00 H HETATM 84 HZ3 UVR A 4 6.790 -3.980 6.043 1.00 0.00 H HETATM 85 C UVR A 4 9.595 -0.040 -0.056 1.00 0.00 C HETATM 86 O UVR A 4 10.230 0.194 -1.084 1.00 0.00 O TER 87 UVR A 4 ENDMDL MODEL 19 ATOM 1 N TRP A 1 8.440 -0.540 0.004 1.00 0.00 N ATOM 2 CA TRP A 1 7.699 -1.085 -1.134 1.00 0.00 C ATOM 3 C TRP A 1 6.661 -0.076 -1.624 1.00 0.00 C ATOM 4 O TRP A 1 6.657 0.288 -2.799 1.00 0.00 O ATOM 5 CB TRP A 1 7.041 -2.424 -0.760 1.00 0.00 C ATOM 6 CG TRP A 1 5.664 -2.308 -0.169 1.00 0.00 C ATOM 7 CD1 TRP A 1 5.301 -1.607 0.945 1.00 0.00 C ATOM 8 CD2 TRP A 1 4.469 -2.927 -0.659 1.00 0.00 C ATOM 9 NE1 TRP A 1 3.953 -1.747 1.174 1.00 0.00 N ATOM 10 CE2 TRP A 1 3.420 -2.553 0.202 1.00 0.00 C ATOM 11 CE3 TRP A 1 4.182 -3.757 -1.747 1.00 0.00 C ATOM 12 CZ2 TRP A 1 2.109 -2.982 0.010 1.00 0.00 C ATOM 13 CZ3 TRP A 1 2.881 -4.184 -1.936 1.00 0.00 C ATOM 14 CH2 TRP A 1 1.858 -3.795 -1.060 1.00 0.00 C ATOM 15 H1 TRP A 1 8.002 -0.493 0.878 1.00 0.00 H ATOM 16 HA TRP A 1 8.409 -1.257 -1.930 1.00 0.00 H ATOM 17 HB2 TRP A 1 6.964 -3.035 -1.646 1.00 0.00 H ATOM 18 HB3 TRP A 1 7.669 -2.931 -0.041 1.00 0.00 H ATOM 19 HD1 TRP A 1 5.983 -1.027 1.548 1.00 0.00 H ATOM 20 HE1 TRP A 1 3.456 -1.336 1.911 1.00 0.00 H ATOM 21 HE3 TRP A 1 4.957 -4.067 -2.432 1.00 0.00 H ATOM 22 HZ2 TRP A 1 1.310 -2.691 0.676 1.00 0.00 H ATOM 23 HZ3 TRP A 1 2.642 -4.827 -2.769 1.00 0.00 H ATOM 24 HH2 TRP A 1 0.856 -4.152 -1.246 1.00 0.00 H HETATM 25 O B3L A 2 7.286 4.566 -0.540 1.00 0.00 O HETATM 26 C B3L A 2 6.779 3.687 0.157 1.00 0.00 C HETATM 27 CA B3L A 2 5.402 3.164 -0.112 1.00 0.00 C HETATM 28 CB B3L A 2 5.362 1.846 -0.937 1.00 0.00 C HETATM 29 N B3L A 2 6.046 0.606 -0.664 1.00 0.00 N HETATM 30 CG B3L A 2 3.887 1.788 -0.512 1.00 0.00 C HETATM 31 CD B3L A 2 3.089 0.652 -1.152 1.00 0.00 C HETATM 32 CE2 B3L A 2 1.632 0.713 -0.723 1.00 0.00 C HETATM 33 CE1 B3L A 2 3.203 0.709 -2.668 1.00 0.00 C HETATM 34 HA B3L A 2 4.848 3.931 -0.636 1.00 0.00 H HETATM 35 HAA B3L A 2 4.942 2.982 0.847 1.00 0.00 H HETATM 36 HB B3L A 2 5.358 2.017 -1.983 1.00 0.00 H HETATM 37 HN B3L A 2 6.300 0.444 0.253 1.00 0.00 H HETATM 38 HG B3L A 2 3.406 2.721 -0.777 1.00 0.00 H HETATM 39 HGA B3L A 2 3.840 1.662 0.562 1.00 0.00 H HETATM 40 HD B3L A 2 3.495 -0.294 -0.820 1.00 0.00 H HETATM 41 H3E2 B3L A 2 1.213 -0.283 -0.725 1.00 0.00 H HETATM 42 H2E2 B3L A 2 1.081 1.338 -1.409 1.00 0.00 H HETATM 43 H1E2 B3L A 2 1.568 1.128 0.272 1.00 0.00 H HETATM 44 H3E1 B3L A 2 3.239 1.740 -2.989 1.00 0.00 H HETATM 45 H2E1 B3L A 2 2.346 0.224 -3.112 1.00 0.00 H HETATM 46 H1E1 B3L A 2 4.105 0.204 -2.981 1.00 0.00 H ATOM 47 N ALA A 3 7.239 3.369 1.360 1.00 0.00 N ATOM 48 CA ALA A 3 8.457 3.946 1.871 1.00 0.00 C ATOM 49 C ALA A 3 9.623 3.009 1.563 1.00 0.00 C ATOM 50 O ALA A 3 10.678 3.444 1.103 1.00 0.00 O ATOM 51 CB ALA A 3 8.348 4.205 3.366 1.00 0.00 C ATOM 52 H ALA A 3 6.933 2.544 1.760 1.00 0.00 H ATOM 53 HA ALA A 3 8.607 4.877 1.369 1.00 0.00 H ATOM 54 HB1 ALA A 3 8.722 3.349 3.908 1.00 0.00 H ATOM 55 HB2 ALA A 3 7.314 4.372 3.628 1.00 0.00 H ATOM 56 HB3 ALA A 3 8.930 5.077 3.623 1.00 0.00 H HETATM 57 N UVR A 4 9.327 1.707 1.596 1.00 0.00 N HETATM 58 HN UVR A 4 8.420 1.436 1.845 1.00 0.00 H HETATM 59 CA UVR A 4 10.240 0.691 1.086 1.00 0.00 C HETATM 60 HA UVR A 4 11.162 1.180 0.807 1.00 0.00 H HETATM 61 CB UVR A 4 10.533 -0.353 2.165 1.00 0.00 C HETATM 62 HB1 UVR A 4 11.366 -0.961 1.844 1.00 0.00 H HETATM 63 HB2 UVR A 4 9.664 -0.983 2.285 1.00 0.00 H HETATM 64 CG UVR A 4 10.875 0.248 3.518 1.00 0.00 C HETATM 65 HG1 UVR A 4 11.476 1.132 3.365 1.00 0.00 H HETATM 66 HG2 UVR A 4 11.436 -0.475 4.091 1.00 0.00 H HETATM 67 CD UVR A 4 9.623 0.628 4.294 1.00 0.00 C HETATM 68 HD1 UVR A 4 8.754 0.409 3.690 1.00 0.00 H HETATM 69 HD2 UVR A 4 9.653 1.686 4.512 1.00 0.00 H HETATM 70 CE UVR A 4 9.520 -0.139 5.603 1.00 0.00 C HETATM 71 HE1 UVR A 4 9.947 -1.122 5.467 1.00 0.00 H HETATM 72 HE2 UVR A 4 8.480 -0.230 5.876 1.00 0.00 H HETATM 73 CF UVR A 4 10.263 0.572 6.724 1.00 0.00 C HETATM 74 HF1 UVR A 4 9.591 1.250 7.224 1.00 0.00 H HETATM 75 HF2 UVR A 4 11.097 1.120 6.306 1.00 0.00 H HETATM 76 CX UVR A 4 10.772 -0.444 7.719 1.00 0.00 C HETATM 77 OX UVR A 4 11.968 -0.734 7.746 1.00 0.00 O HETATM 78 CY UVR A 4 9.813 -1.105 8.680 1.00 0.00 C HETATM 79 HY1 UVR A 4 9.487 -2.051 8.278 1.00 0.00 H HETATM 80 HY2 UVR A 4 8.964 -0.457 8.849 1.00 0.00 H HETATM 81 CZ UVR A 4 10.504 -1.359 10.001 1.00 0.00 C HETATM 82 HZ1 UVR A 4 11.292 -2.097 9.988 1.00 0.00 H HETATM 83 HZ2 UVR A 4 9.884 -1.563 10.862 1.00 0.00 H HETATM 84 HZ3 UVR A 4 11.241 -0.627 10.299 1.00 0.00 H HETATM 85 C UVR A 4 9.645 0.014 -0.150 1.00 0.00 C HETATM 86 O UVR A 4 10.207 0.096 -1.242 1.00 0.00 O TER 87 UVR A 4 ENDMDL MODEL 20 ATOM 1 N TRP A 1 8.438 -0.515 0.010 1.00 0.00 N ATOM 2 CA TRP A 1 7.698 -1.069 -1.121 1.00 0.00 C ATOM 3 C TRP A 1 6.662 -0.062 -1.622 1.00 0.00 C ATOM 4 O TRP A 1 6.695 0.331 -2.788 1.00 0.00 O ATOM 5 CB TRP A 1 7.043 -2.408 -0.735 1.00 0.00 C ATOM 6 CG TRP A 1 5.619 -2.301 -0.264 1.00 0.00 C ATOM 7 CD1 TRP A 1 5.166 -1.655 0.851 1.00 0.00 C ATOM 8 CD2 TRP A 1 4.466 -2.874 -0.891 1.00 0.00 C ATOM 9 NE1 TRP A 1 3.802 -1.786 0.950 1.00 0.00 N ATOM 10 CE2 TRP A 1 3.349 -2.530 -0.107 1.00 0.00 C ATOM 11 CE3 TRP A 1 4.269 -3.642 -2.043 1.00 0.00 C ATOM 12 CZ2 TRP A 1 2.056 -2.928 -0.436 1.00 0.00 C ATOM 13 CZ3 TRP A 1 2.985 -4.036 -2.369 1.00 0.00 C ATOM 14 CH2 TRP A 1 1.893 -3.679 -1.568 1.00 0.00 C ATOM 15 H1 TRP A 1 7.989 -0.430 0.877 1.00 0.00 H ATOM 16 HA TRP A 1 8.408 -1.248 -1.915 1.00 0.00 H ATOM 17 HB2 TRP A 1 7.054 -3.061 -1.594 1.00 0.00 H ATOM 18 HB3 TRP A 1 7.621 -2.861 0.057 1.00 0.00 H ATOM 19 HD1 TRP A 1 5.799 -1.120 1.542 1.00 0.00 H ATOM 20 HE1 TRP A 1 3.245 -1.407 1.663 1.00 0.00 H ATOM 21 HE3 TRP A 1 5.099 -3.927 -2.673 1.00 0.00 H ATOM 22 HZ2 TRP A 1 1.203 -2.661 0.169 1.00 0.00 H ATOM 23 HZ3 TRP A 1 2.814 -4.630 -3.255 1.00 0.00 H ATOM 24 HH2 TRP A 1 0.907 -4.010 -1.862 1.00 0.00 H HETATM 25 O B3L A 2 7.317 4.537 -0.561 1.00 0.00 O HETATM 26 C B3L A 2 6.798 3.669 0.141 1.00 0.00 C HETATM 27 CA B3L A 2 5.410 3.169 -0.121 1.00 0.00 C HETATM 28 CB B3L A 2 5.344 1.848 -0.941 1.00 0.00 C HETATM 29 N B3L A 2 6.009 0.596 -0.670 1.00 0.00 N HETATM 30 CG B3L A 2 3.871 1.822 -0.508 1.00 0.00 C HETATM 31 CD B3L A 2 3.040 0.716 -1.157 1.00 0.00 C HETATM 32 CE2 B3L A 2 1.650 0.661 -0.544 1.00 0.00 C HETATM 33 CE1 B3L A 2 2.953 0.928 -2.662 1.00 0.00 C HETATM 34 HA B3L A 2 4.869 3.944 -0.646 1.00 0.00 H HETATM 35 HAA B3L A 2 4.951 2.998 0.840 1.00 0.00 H HETATM 36 HB B3L A 2 5.337 2.016 -1.987 1.00 0.00 H HETATM 37 HN B3L A 2 6.231 0.415 0.252 1.00 0.00 H HETATM 38 HG B3L A 2 3.412 2.770 -0.757 1.00 0.00 H HETATM 39 HGA B3L A 2 3.825 1.684 0.564 1.00 0.00 H HETATM 40 HD B3L A 2 3.520 -0.235 -0.980 1.00 0.00 H HETATM 41 H3E2 B3L A 2 1.320 1.662 -0.307 1.00 0.00 H HETATM 42 H2E2 B3L A 2 1.678 0.069 0.360 1.00 0.00 H HETATM 43 H1E2 B3L A 2 0.963 0.212 -1.246 1.00 0.00 H HETATM 44 H3E1 B3L A 2 1.991 0.591 -3.018 1.00 0.00 H HETATM 45 H2E1 B3L A 2 3.735 0.366 -3.150 1.00 0.00 H HETATM 46 H1E1 B3L A 2 3.072 1.979 -2.884 1.00 0.00 H ATOM 47 N ALA A 3 7.241 3.359 1.353 1.00 0.00 N ATOM 48 CA ALA A 3 8.454 3.937 1.876 1.00 0.00 C ATOM 49 C ALA A 3 9.625 3.008 1.569 1.00 0.00 C ATOM 50 O ALA A 3 10.683 3.451 1.122 1.00 0.00 O ATOM 51 CB ALA A 3 8.331 4.185 3.373 1.00 0.00 C ATOM 52 H ALA A 3 6.919 2.546 1.763 1.00 0.00 H ATOM 53 HA ALA A 3 8.602 4.873 1.383 1.00 0.00 H ATOM 54 HB1 ALA A 3 9.090 3.622 3.895 1.00 0.00 H ATOM 55 HB2 ALA A 3 7.354 3.872 3.710 1.00 0.00 H ATOM 56 HB3 ALA A 3 8.462 5.237 3.575 1.00 0.00 H HETATM 57 N UVR A 4 9.333 1.705 1.590 1.00 0.00 N HETATM 58 HN UVR A 4 8.424 1.430 1.828 1.00 0.00 H HETATM 59 CA UVR A 4 10.256 0.696 1.084 1.00 0.00 C HETATM 60 HA UVR A 4 11.168 1.195 0.793 1.00 0.00 H HETATM 61 CB UVR A 4 10.570 -0.332 2.171 1.00 0.00 C HETATM 62 HB1 UVR A 4 11.409 -0.933 1.852 1.00 0.00 H HETATM 63 HB2 UVR A 4 9.710 -0.973 2.303 1.00 0.00 H HETATM 64 CG UVR A 4 10.912 0.288 3.516 1.00 0.00 C HETATM 65 HG1 UVR A 4 11.482 1.191 3.349 1.00 0.00 H HETATM 66 HG2 UVR A 4 11.503 -0.413 4.085 1.00 0.00 H HETATM 67 CD UVR A 4 9.660 0.633 4.305 1.00 0.00 C HETATM 68 HD1 UVR A 4 8.862 -0.032 4.004 1.00 0.00 H HETATM 69 HD2 UVR A 4 9.380 1.653 4.090 1.00 0.00 H HETATM 70 CE UVR A 4 9.886 0.487 5.801 1.00 0.00 C HETATM 71 HE1 UVR A 4 9.054 0.933 6.325 1.00 0.00 H HETATM 72 HE2 UVR A 4 10.799 0.998 6.068 1.00 0.00 H HETATM 73 CF UVR A 4 10.002 -0.974 6.209 1.00 0.00 C HETATM 74 HF1 UVR A 4 10.226 -1.032 7.263 1.00 0.00 H HETATM 75 HF2 UVR A 4 10.793 -1.439 5.638 1.00 0.00 H HETATM 76 CX UVR A 4 8.697 -1.682 5.940 1.00 0.00 C HETATM 77 OX UVR A 4 7.634 -1.162 6.277 1.00 0.00 O HETATM 78 CY UVR A 4 8.695 -3.028 5.255 1.00 0.00 C HETATM 79 HY1 UVR A 4 8.251 -3.766 5.903 1.00 0.00 H HETATM 80 HY2 UVR A 4 9.709 -3.310 5.006 1.00 0.00 H HETATM 81 CZ UVR A 4 7.881 -2.955 3.982 1.00 0.00 C HETATM 82 HZ1 UVR A 4 8.357 -3.345 3.094 1.00 0.00 H HETATM 83 HZ2 UVR A 4 7.439 -2.004 3.723 1.00 0.00 H HETATM 84 HZ3 UVR A 4 7.118 -3.711 3.865 1.00 0.00 H HETATM 85 C UVR A 4 9.660 0.000 -0.140 1.00 0.00 C HETATM 86 O UVR A 4 10.238 0.037 -1.227 1.00 0.00 O TER 87 UVR A 4 ENDMDL MODEL 21 ATOM 1 N TRP A 1 8.441 -0.530 -0.007 1.00 0.00 N ATOM 2 CA TRP A 1 7.713 -1.061 -1.158 1.00 0.00 C ATOM 3 C TRP A 1 6.663 -0.057 -1.632 1.00 0.00 C ATOM 4 O TRP A 1 6.665 0.337 -2.798 1.00 0.00 O ATOM 5 CB TRP A 1 7.072 -2.417 -0.816 1.00 0.00 C ATOM 6 CG TRP A 1 5.691 -2.331 -0.233 1.00 0.00 C ATOM 7 CD1 TRP A 1 5.312 -1.666 0.898 1.00 0.00 C ATOM 8 CD2 TRP A 1 4.505 -2.942 -0.754 1.00 0.00 C ATOM 9 NE1 TRP A 1 3.963 -1.822 1.109 1.00 0.00 N ATOM 10 CE2 TRP A 1 3.445 -2.603 0.109 1.00 0.00 C ATOM 11 CE3 TRP A 1 4.236 -3.742 -1.868 1.00 0.00 C ATOM 12 CZ2 TRP A 1 2.140 -3.036 -0.108 1.00 0.00 C ATOM 13 CZ3 TRP A 1 2.939 -4.173 -2.081 1.00 0.00 C ATOM 14 CH2 TRP A 1 1.906 -3.819 -1.206 1.00 0.00 C ATOM 15 H1 TRP A 1 7.994 -0.498 0.865 1.00 0.00 H ATOM 16 HA TRP A 1 8.429 -1.207 -1.954 1.00 0.00 H ATOM 17 HB2 TRP A 1 7.011 -3.011 -1.715 1.00 0.00 H ATOM 18 HB3 TRP A 1 7.702 -2.928 -0.101 1.00 0.00 H ATOM 19 HD1 TRP A 1 5.985 -1.099 1.523 1.00 0.00 H ATOM 20 HE1 TRP A 1 3.455 -1.438 1.855 1.00 0.00 H ATOM 21 HE3 TRP A 1 5.019 -4.026 -2.554 1.00 0.00 H ATOM 22 HZ2 TRP A 1 1.331 -2.772 0.558 1.00 0.00 H ATOM 23 HZ3 TRP A 1 2.713 -4.793 -2.936 1.00 0.00 H ATOM 24 HH2 TRP A 1 0.908 -4.179 -1.411 1.00 0.00 H HETATM 25 O B3L A 2 7.290 4.539 -0.567 1.00 0.00 O HETATM 26 C B3L A 2 6.787 3.670 0.144 1.00 0.00 C HETATM 27 CA B3L A 2 5.401 3.155 -0.095 1.00 0.00 C HETATM 28 CB B3L A 2 5.336 1.833 -0.914 1.00 0.00 C HETATM 29 N B3L A 2 6.028 0.593 -0.662 1.00 0.00 N HETATM 30 CG B3L A 2 3.876 1.777 -0.442 1.00 0.00 C HETATM 31 CD B3L A 2 3.048 0.656 -1.072 1.00 0.00 C HETATM 32 CE2 B3L A 2 1.619 0.691 -0.554 1.00 0.00 C HETATM 33 CE1 B3L A 2 3.072 0.766 -2.589 1.00 0.00 C HETATM 34 HA B3L A 2 4.843 3.923 -0.612 1.00 0.00 H HETATM 35 HAA B3L A 2 4.959 2.979 0.872 1.00 0.00 H HETATM 36 HB B3L A 2 5.299 2.004 -1.959 1.00 0.00 H HETATM 37 HN B3L A 2 6.275 0.415 0.253 1.00 0.00 H HETATM 38 HG B3L A 2 3.392 2.716 -0.675 1.00 0.00 H HETATM 39 HGA B3L A 2 3.862 1.636 0.631 1.00 0.00 H HETATM 40 HD B3L A 2 3.479 -0.296 -0.798 1.00 0.00 H HETATM 41 H3E2 B3L A 2 1.362 1.701 -0.273 1.00 0.00 H HETATM 42 H2E2 B3L A 2 1.531 0.045 0.306 1.00 0.00 H HETATM 43 H1E2 B3L A 2 0.947 0.352 -1.329 1.00 0.00 H HETATM 44 H3E1 B3L A 2 3.963 0.292 -2.971 1.00 0.00 H HETATM 45 H2E1 B3L A 2 3.067 1.808 -2.874 1.00 0.00 H HETATM 46 H1E1 B3L A 2 2.199 0.276 -2.998 1.00 0.00 H ATOM 47 N ALA A 3 7.247 3.368 1.353 1.00 0.00 N ATOM 48 CA ALA A 3 8.467 3.948 1.855 1.00 0.00 C ATOM 49 C ALA A 3 9.628 3.004 1.558 1.00 0.00 C ATOM 50 O ALA A 3 10.683 3.428 1.086 1.00 0.00 O ATOM 51 CB ALA A 3 8.360 4.225 3.347 1.00 0.00 C ATOM 52 H ALA A 3 6.933 2.555 1.770 1.00 0.00 H ATOM 53 HA ALA A 3 8.619 4.873 1.342 1.00 0.00 H ATOM 54 HB1 ALA A 3 7.495 4.843 3.537 1.00 0.00 H ATOM 55 HB2 ALA A 3 9.249 4.737 3.683 1.00 0.00 H ATOM 56 HB3 ALA A 3 8.259 3.292 3.880 1.00 0.00 H HETATM 57 N UVR A 4 9.327 1.705 1.614 1.00 0.00 N HETATM 58 HN UVR A 4 8.419 1.443 1.869 1.00 0.00 H HETATM 59 CA UVR A 4 10.232 0.677 1.116 1.00 0.00 C HETATM 60 HA UVR A 4 11.168 1.152 0.861 1.00 0.00 H HETATM 61 CB UVR A 4 10.481 -0.383 2.189 1.00 0.00 C HETATM 62 HB1 UVR A 4 11.247 -1.060 1.840 1.00 0.00 H HETATM 63 HB2 UVR A 4 9.568 -0.939 2.347 1.00 0.00 H HETATM 64 CG UVR A 4 10.926 0.191 3.525 1.00 0.00 C HETATM 65 HG1 UVR A 4 11.505 1.085 3.346 1.00 0.00 H HETATM 66 HG2 UVR A 4 11.536 -0.539 4.034 1.00 0.00 H HETATM 67 CD UVR A 4 9.738 0.541 4.407 1.00 0.00 C HETATM 68 HD1 UVR A 4 9.037 1.127 3.833 1.00 0.00 H HETATM 69 HD2 UVR A 4 10.086 1.118 5.251 1.00 0.00 H HETATM 70 CE UVR A 4 9.035 -0.706 4.922 1.00 0.00 C HETATM 71 HE1 UVR A 4 8.851 -1.372 4.092 1.00 0.00 H HETATM 72 HE2 UVR A 4 8.095 -0.419 5.370 1.00 0.00 H HETATM 73 CF UVR A 4 9.875 -1.431 5.961 1.00 0.00 C HETATM 74 HF1 UVR A 4 9.986 -0.803 6.830 1.00 0.00 H HETATM 75 HF2 UVR A 4 10.845 -1.656 5.540 1.00 0.00 H HETATM 76 CX UVR A 4 9.186 -2.713 6.361 1.00 0.00 C HETATM 77 OX UVR A 4 7.991 -2.703 6.656 1.00 0.00 O HETATM 78 CY UVR A 4 9.964 -4.008 6.400 1.00 0.00 C HETATM 79 HY1 UVR A 4 10.967 -3.821 6.751 1.00 0.00 H HETATM 80 HY2 UVR A 4 9.989 -4.447 5.411 1.00 0.00 H HETATM 81 CZ UVR A 4 9.299 -4.980 7.350 1.00 0.00 C HETATM 82 HZ1 UVR A 4 8.900 -4.555 8.259 1.00 0.00 H HETATM 83 HZ2 UVR A 4 9.847 -5.871 7.621 1.00 0.00 H HETATM 84 HZ3 UVR A 4 8.296 -5.283 7.090 1.00 0.00 H HETATM 85 C UVR A 4 9.649 0.022 -0.138 1.00 0.00 C HETATM 86 O UVR A 4 10.226 0.116 -1.222 1.00 0.00 O TER 87 UVR A 4 ENDMDL MODEL 22 ATOM 1 N TRP A 1 8.466 -0.474 0.093 1.00 0.00 N ATOM 2 CA TRP A 1 7.649 -0.985 -1.008 1.00 0.00 C ATOM 3 C TRP A 1 6.784 0.136 -1.574 1.00 0.00 C ATOM 4 O TRP A 1 7.160 0.770 -2.559 1.00 0.00 O ATOM 5 CB TRP A 1 6.765 -2.156 -0.551 1.00 0.00 C ATOM 6 CG TRP A 1 6.805 -2.417 0.926 1.00 0.00 C ATOM 7 CD1 TRP A 1 6.102 -1.759 1.895 1.00 0.00 C ATOM 8 CD2 TRP A 1 7.587 -3.410 1.601 1.00 0.00 C ATOM 9 NE1 TRP A 1 6.401 -2.280 3.130 1.00 0.00 N ATOM 10 CE2 TRP A 1 7.308 -3.295 2.977 1.00 0.00 C ATOM 11 CE3 TRP A 1 8.494 -4.385 1.177 1.00 0.00 C ATOM 12 CZ2 TRP A 1 7.905 -4.118 3.929 1.00 0.00 C ATOM 13 CZ3 TRP A 1 9.086 -5.201 2.123 1.00 0.00 C ATOM 14 CH2 TRP A 1 8.789 -5.063 3.485 1.00 0.00 C ATOM 15 H1 TRP A 1 8.039 -0.304 0.958 1.00 0.00 H ATOM 16 HA TRP A 1 8.317 -1.328 -1.781 1.00 0.00 H ATOM 17 HB2 TRP A 1 5.739 -1.949 -0.821 1.00 0.00 H ATOM 18 HB3 TRP A 1 7.086 -3.055 -1.057 1.00 0.00 H ATOM 19 HD1 TRP A 1 5.416 -0.947 1.703 1.00 0.00 H ATOM 20 HE1 TRP A 1 6.024 -1.975 3.982 1.00 0.00 H ATOM 21 HE3 TRP A 1 8.735 -4.507 0.132 1.00 0.00 H ATOM 22 HZ2 TRP A 1 7.688 -4.024 4.982 1.00 0.00 H ATOM 23 HZ3 TRP A 1 9.790 -5.960 1.815 1.00 0.00 H ATOM 24 HH2 TRP A 1 9.276 -5.722 4.189 1.00 0.00 H HETATM 25 O B3L A 2 7.236 4.524 -0.559 1.00 0.00 O HETATM 26 C B3L A 2 6.756 3.615 0.119 1.00 0.00 C HETATM 27 CA B3L A 2 5.348 3.144 -0.091 1.00 0.00 C HETATM 28 CB B3L A 2 5.215 1.867 -0.969 1.00 0.00 C HETATM 29 N B3L A 2 5.833 0.581 -0.760 1.00 0.00 N HETATM 30 CG B3L A 2 3.752 1.878 -0.496 1.00 0.00 C HETATM 31 CD B3L A 2 2.871 0.801 -1.132 1.00 0.00 C HETATM 32 CE2 B3L A 2 1.523 0.732 -0.431 1.00 0.00 C HETATM 33 CE1 B3L A 2 2.690 1.070 -2.619 1.00 0.00 C HETATM 34 HA B3L A 2 4.789 3.951 -0.544 1.00 0.00 H HETATM 35 HAA B3L A 2 4.939 2.928 0.885 1.00 0.00 H HETATM 36 HB B3L A 2 5.182 2.074 -2.009 1.00 0.00 H HETATM 37 HN B3L A 2 5.760 0.197 0.120 1.00 0.00 H HETATM 38 HG B3L A 2 3.313 2.840 -0.724 1.00 0.00 H HETATM 39 HGA B3L A 2 3.731 1.730 0.577 1.00 0.00 H HETATM 40 HD B3L A 2 3.353 -0.160 -1.021 1.00 0.00 H HETATM 41 H3E2 B3L A 2 0.793 1.294 -0.998 1.00 0.00 H HETATM 42 H2E2 B3L A 2 1.610 1.152 0.559 1.00 0.00 H HETATM 43 H1E2 B3L A 2 1.206 -0.298 -0.360 1.00 0.00 H HETATM 44 H3E1 B3L A 2 2.736 0.137 -3.162 1.00 0.00 H HETATM 45 H2E1 B3L A 2 3.475 1.726 -2.965 1.00 0.00 H HETATM 46 H1E1 B3L A 2 1.730 1.536 -2.786 1.00 0.00 H ATOM 47 N ALA A 3 7.246 3.259 1.301 1.00 0.00 N ATOM 48 CA ALA A 3 8.442 3.866 1.833 1.00 0.00 C ATOM 49 C ALA A 3 9.643 2.984 1.512 1.00 0.00 C ATOM 50 O ALA A 3 10.642 3.454 0.966 1.00 0.00 O ATOM 51 CB ALA A 3 8.314 4.085 3.333 1.00 0.00 C ATOM 52 H ALA A 3 6.951 2.426 1.690 1.00 0.00 H ATOM 53 HA ALA A 3 8.561 4.815 1.356 1.00 0.00 H ATOM 54 HB1 ALA A 3 7.272 4.203 3.592 1.00 0.00 H ATOM 55 HB2 ALA A 3 8.857 4.975 3.615 1.00 0.00 H ATOM 56 HB3 ALA A 3 8.721 3.234 3.857 1.00 0.00 H HETATM 57 N UVR A 4 9.421 1.674 1.612 1.00 0.00 N HETATM 58 HN UVR A 4 8.537 1.370 1.905 1.00 0.00 H HETATM 59 CA UVR A 4 10.352 0.691 1.072 1.00 0.00 C HETATM 60 HA UVR A 4 11.229 1.216 0.724 1.00 0.00 H HETATM 61 CB UVR A 4 10.761 -0.311 2.155 1.00 0.00 C HETATM 62 HB1 UVR A 4 11.532 -0.956 1.757 1.00 0.00 H HETATM 63 HB2 UVR A 4 9.902 -0.910 2.417 1.00 0.00 H HETATM 64 CG UVR A 4 11.292 0.342 3.420 1.00 0.00 C HETATM 65 HG1 UVR A 4 11.850 1.227 3.151 1.00 0.00 H HETATM 66 HG2 UVR A 4 11.942 -0.354 3.928 1.00 0.00 H HETATM 67 CD UVR A 4 10.162 0.737 4.359 1.00 0.00 C HETATM 68 HD1 UVR A 4 9.266 0.206 4.072 1.00 0.00 H HETATM 69 HD2 UVR A 4 9.996 1.800 4.278 1.00 0.00 H HETATM 70 CE UVR A 4 10.495 0.401 5.804 1.00 0.00 C HETATM 71 HE1 UVR A 4 10.109 1.183 6.442 1.00 0.00 H HETATM 72 HE2 UVR A 4 11.569 0.344 5.912 1.00 0.00 H HETATM 73 CF UVR A 4 9.887 -0.931 6.223 1.00 0.00 C HETATM 74 HF1 UVR A 4 10.671 -1.585 6.571 1.00 0.00 H HETATM 75 HF2 UVR A 4 9.386 -1.376 5.373 1.00 0.00 H HETATM 76 CX UVR A 4 8.892 -0.714 7.339 1.00 0.00 C HETATM 77 OX UVR A 4 8.925 -1.430 8.338 1.00 0.00 O HETATM 78 CY UVR A 4 7.857 0.381 7.227 1.00 0.00 C HETATM 79 HY1 UVR A 4 8.332 1.344 7.332 1.00 0.00 H HETATM 80 HY2 UVR A 4 7.106 0.250 7.994 1.00 0.00 H HETATM 81 CZ UVR A 4 7.191 0.320 5.871 1.00 0.00 C HETATM 82 HZ1 UVR A 4 6.121 0.476 5.863 1.00 0.00 H HETATM 83 HZ2 UVR A 4 7.399 -0.536 5.248 1.00 0.00 H HETATM 84 HZ3 UVR A 4 7.289 1.202 5.256 1.00 0.00 H HETATM 85 C UVR A 4 9.711 -0.042 -0.104 1.00 0.00 C HETATM 86 O UVR A 4 10.253 -0.050 -1.210 1.00 0.00 O TER 87 UVR A 4 ENDMDL MODEL 23 ATOM 1 N TRP A 1 8.411 -0.659 -0.065 1.00 0.00 N ATOM 2 CA TRP A 1 7.773 -1.076 -1.309 1.00 0.00 C ATOM 3 C TRP A 1 6.816 0.021 -1.773 1.00 0.00 C ATOM 4 O TRP A 1 7.074 0.669 -2.789 1.00 0.00 O ATOM 5 CB TRP A 1 7.050 -2.424 -1.120 1.00 0.00 C ATOM 6 CG TRP A 1 5.549 -2.343 -1.099 1.00 0.00 C ATOM 7 CD1 TRP A 1 4.762 -1.905 -0.073 1.00 0.00 C ATOM 8 CD2 TRP A 1 4.658 -2.729 -2.152 1.00 0.00 C ATOM 9 NE1 TRP A 1 3.437 -1.986 -0.426 1.00 0.00 N ATOM 10 CE2 TRP A 1 3.347 -2.491 -1.697 1.00 0.00 C ATOM 11 CE3 TRP A 1 4.840 -3.249 -3.437 1.00 0.00 C ATOM 12 CZ2 TRP A 1 2.226 -2.756 -2.481 1.00 0.00 C ATOM 13 CZ3 TRP A 1 3.727 -3.513 -4.213 1.00 0.00 C ATOM 14 CH2 TRP A 1 2.435 -3.266 -3.733 1.00 0.00 C ATOM 15 H1 TRP A 1 7.877 -0.654 0.756 1.00 0.00 H ATOM 16 HA TRP A 1 8.548 -1.193 -2.053 1.00 0.00 H ATOM 17 HB2 TRP A 1 7.330 -3.084 -1.926 1.00 0.00 H ATOM 18 HB3 TRP A 1 7.371 -2.860 -0.184 1.00 0.00 H ATOM 19 HD1 TRP A 1 5.142 -1.543 0.872 1.00 0.00 H ATOM 20 HE1 TRP A 1 2.680 -1.728 0.141 1.00 0.00 H ATOM 21 HE3 TRP A 1 5.828 -3.446 -3.824 1.00 0.00 H ATOM 22 HZ2 TRP A 1 1.223 -2.571 -2.126 1.00 0.00 H ATOM 23 HZ3 TRP A 1 3.850 -3.915 -5.208 1.00 0.00 H ATOM 24 HH2 TRP A 1 1.595 -3.487 -4.375 1.00 0.00 H HETATM 25 O B3L A 2 6.543 2.522 2.241 1.00 0.00 O HETATM 26 C B3L A 2 6.540 3.053 1.129 1.00 0.00 C HETATM 27 CA B3L A 2 5.333 2.872 0.259 1.00 0.00 C HETATM 28 CB B3L A 2 5.492 1.830 -0.880 1.00 0.00 C HETATM 29 N B3L A 2 6.022 0.493 -0.817 1.00 0.00 N HETATM 30 CG B3L A 2 3.960 1.843 -0.947 1.00 0.00 C HETATM 31 CD B3L A 2 3.368 1.004 -2.079 1.00 0.00 C HETATM 32 CE2 B3L A 2 1.852 1.119 -2.093 1.00 0.00 C HETATM 33 CE1 B3L A 2 3.949 1.430 -3.418 1.00 0.00 C HETATM 34 HA B3L A 2 5.079 3.829 -0.169 1.00 0.00 H HETATM 35 HAA B3L A 2 4.534 2.547 0.905 1.00 0.00 H HETATM 36 HB B3L A 2 5.829 2.287 -1.775 1.00 0.00 H HETATM 37 HN B3L A 2 6.084 0.103 0.065 1.00 0.00 H HETATM 38 HG B3L A 2 3.622 2.863 -1.079 1.00 0.00 H HETATM 39 HGA B3L A 2 3.566 1.464 -0.014 1.00 0.00 H HETATM 40 HD B3L A 2 3.623 -0.034 -1.917 1.00 0.00 H HETATM 41 H3E2 B3L A 2 1.494 1.039 -3.109 1.00 0.00 H HETATM 42 H2E2 B3L A 2 1.560 2.074 -1.683 1.00 0.00 H HETATM 43 H1E2 B3L A 2 1.424 0.325 -1.498 1.00 0.00 H HETATM 44 H3E1 B3L A 2 3.276 1.142 -4.212 1.00 0.00 H HETATM 45 H2E1 B3L A 2 4.906 0.948 -3.566 1.00 0.00 H HETATM 46 H1E1 B3L A 2 4.081 2.501 -3.429 1.00 0.00 H ATOM 47 N ALA A 3 7.527 3.874 0.776 1.00 0.00 N ATOM 48 CA ALA A 3 8.616 4.179 1.704 1.00 0.00 C ATOM 49 C ALA A 3 9.625 3.027 1.722 1.00 0.00 C ATOM 50 O ALA A 3 10.833 3.251 1.801 1.00 0.00 O ATOM 51 CB ALA A 3 8.089 4.459 3.107 1.00 0.00 C ATOM 52 H ALA A 3 7.705 3.982 -0.179 1.00 0.00 H ATOM 53 HA ALA A 3 9.114 5.070 1.345 1.00 0.00 H ATOM 54 HB1 ALA A 3 7.071 4.816 3.044 1.00 0.00 H ATOM 55 HB2 ALA A 3 8.705 5.209 3.580 1.00 0.00 H ATOM 56 HB3 ALA A 3 8.116 3.550 3.690 1.00 0.00 H HETATM 57 N UVR A 4 9.127 1.815 1.462 1.00 0.00 N HETATM 58 HN UVR A 4 8.170 1.722 1.303 1.00 0.00 H HETATM 59 CA UVR A 4 9.977 0.652 1.244 1.00 0.00 C HETATM 60 HA UVR A 4 11.000 0.991 1.177 1.00 0.00 H HETATM 61 CB UVR A 4 9.842 -0.325 2.410 1.00 0.00 C HETATM 62 HB1 UVR A 4 10.609 -1.080 2.325 1.00 0.00 H HETATM 63 HB2 UVR A 4 8.874 -0.796 2.354 1.00 0.00 H HETATM 64 CG UVR A 4 9.969 0.334 3.773 1.00 0.00 C HETATM 65 HG1 UVR A 4 10.670 1.153 3.703 1.00 0.00 H HETATM 66 HG2 UVR A 4 10.331 -0.394 4.483 1.00 0.00 H HETATM 67 CD UVR A 4 8.630 0.869 4.251 1.00 0.00 C HETATM 68 HD1 UVR A 4 8.010 1.076 3.390 1.00 0.00 H HETATM 69 HD2 UVR A 4 8.794 1.781 4.807 1.00 0.00 H HETATM 70 CE UVR A 4 7.912 -0.131 5.146 1.00 0.00 C HETATM 71 HE1 UVR A 4 7.721 -1.031 4.579 1.00 0.00 H HETATM 72 HE2 UVR A 4 6.975 0.298 5.466 1.00 0.00 H HETATM 73 CF UVR A 4 8.743 -0.487 6.373 1.00 0.00 C HETATM 74 HF1 UVR A 4 9.635 0.121 6.388 1.00 0.00 H HETATM 75 HF2 UVR A 4 9.011 -1.533 6.326 1.00 0.00 H HETATM 76 CX UVR A 4 7.946 -0.225 7.630 1.00 0.00 C HETATM 77 OX UVR A 4 6.717 -0.265 7.599 1.00 0.00 O HETATM 78 CY UVR A 4 8.659 0.084 8.925 1.00 0.00 C HETATM 79 HY1 UVR A 4 9.117 -0.813 9.312 1.00 0.00 H HETATM 80 HY2 UVR A 4 7.954 0.482 9.641 1.00 0.00 H HETATM 81 CZ UVR A 4 9.745 1.110 8.683 1.00 0.00 C HETATM 82 HZ1 UVR A 4 9.629 1.722 7.801 1.00 0.00 H HETATM 83 HZ2 UVR A 4 10.770 0.770 8.711 1.00 0.00 H HETATM 84 HZ3 UVR A 4 9.685 2.010 9.276 1.00 0.00 H HETATM 85 C UVR A 4 9.590 -0.035 -0.065 1.00 0.00 C HETATM 86 O UVR A 4 10.212 0.204 -1.102 1.00 0.00 O TER 87 UVR A 4 ENDMDL MODEL 24 ATOM 1 N TRP A 1 8.438 -0.503 0.017 1.00 0.00 N ATOM 2 CA TRP A 1 7.693 -1.066 -1.107 1.00 0.00 C ATOM 3 C TRP A 1 6.665 -0.056 -1.619 1.00 0.00 C ATOM 4 O TRP A 1 6.720 0.346 -2.781 1.00 0.00 O ATOM 5 CB TRP A 1 7.029 -2.394 -0.703 1.00 0.00 C ATOM 6 CG TRP A 1 5.587 -2.284 -0.298 1.00 0.00 C ATOM 7 CD1 TRP A 1 5.085 -1.655 0.805 1.00 0.00 C ATOM 8 CD2 TRP A 1 4.460 -2.833 -0.993 1.00 0.00 C ATOM 9 NE1 TRP A 1 3.717 -1.774 0.835 1.00 0.00 N ATOM 10 CE2 TRP A 1 3.309 -2.493 -0.257 1.00 0.00 C ATOM 11 CE3 TRP A 1 4.313 -3.576 -2.169 1.00 0.00 C ATOM 12 CZ2 TRP A 1 2.031 -2.871 -0.658 1.00 0.00 C ATOM 13 CZ3 TRP A 1 3.043 -3.951 -2.564 1.00 0.00 C ATOM 14 CH2 TRP A 1 1.916 -3.599 -1.812 1.00 0.00 C ATOM 15 H1 TRP A 1 7.986 -0.395 0.880 1.00 0.00 H ATOM 16 HA TRP A 1 8.402 -1.259 -1.899 1.00 0.00 H ATOM 17 HB2 TRP A 1 7.083 -3.078 -1.536 1.00 0.00 H ATOM 18 HB3 TRP A 1 7.575 -2.816 0.130 1.00 0.00 H ATOM 19 HD1 TRP A 1 5.689 -1.140 1.537 1.00 0.00 H ATOM 20 HE1 TRP A 1 3.129 -1.404 1.526 1.00 0.00 H ATOM 21 HE3 TRP A 1 5.171 -3.857 -2.762 1.00 0.00 H ATOM 22 HZ2 TRP A 1 1.152 -2.608 -0.089 1.00 0.00 H ATOM 23 HZ3 TRP A 1 2.911 -4.527 -3.469 1.00 0.00 H ATOM 24 HH2 TRP A 1 0.944 -3.914 -2.159 1.00 0.00 H HETATM 25 O B3L A 2 7.326 4.531 -0.563 1.00 0.00 O HETATM 26 C B3L A 2 6.801 3.664 0.137 1.00 0.00 C HETATM 27 CA B3L A 2 5.412 3.173 -0.129 1.00 0.00 C HETATM 28 CB B3L A 2 5.339 1.853 -0.948 1.00 0.00 C HETATM 29 N B3L A 2 5.995 0.596 -0.674 1.00 0.00 N HETATM 30 CG B3L A 2 3.864 1.837 -0.521 1.00 0.00 C HETATM 31 CD B3L A 2 3.029 0.733 -1.173 1.00 0.00 C HETATM 32 CE2 B3L A 2 1.697 0.575 -0.456 1.00 0.00 C HETATM 33 CE1 B3L A 2 2.811 1.033 -2.648 1.00 0.00 C HETATM 34 HA B3L A 2 4.877 3.950 -0.654 1.00 0.00 H HETATM 35 HAA B3L A 2 4.949 3.004 0.831 1.00 0.00 H HETATM 36 HB B3L A 2 5.337 2.020 -1.994 1.00 0.00 H HETATM 37 HN B3L A 2 6.200 0.408 0.251 1.00 0.00 H HETATM 38 HG B3L A 2 3.412 2.786 -0.774 1.00 0.00 H HETATM 39 HGA B3L A 2 3.812 1.700 0.551 1.00 0.00 H HETATM 40 HD B3L A 2 3.562 -0.203 -1.096 1.00 0.00 H HETATM 41 H3E2 B3L A 2 1.151 1.506 -0.503 1.00 0.00 H HETATM 42 H2E2 B3L A 2 1.872 0.312 0.577 1.00 0.00 H HETATM 43 H1E2 B3L A 2 1.121 -0.203 -0.934 1.00 0.00 H HETATM 44 H3E1 B3L A 2 2.600 2.085 -2.774 1.00 0.00 H HETATM 45 H2E1 B3L A 2 1.977 0.452 -3.015 1.00 0.00 H HETATM 46 H1E1 B3L A 2 3.701 0.776 -3.203 1.00 0.00 H ATOM 47 N ALA A 3 7.240 3.352 1.350 1.00 0.00 N ATOM 48 CA ALA A 3 8.451 3.931 1.879 1.00 0.00 C ATOM 49 C ALA A 3 9.625 3.007 1.571 1.00 0.00 C ATOM 50 O ALA A 3 10.685 3.457 1.135 1.00 0.00 O ATOM 51 CB ALA A 3 8.324 4.168 3.377 1.00 0.00 C ATOM 52 H ALA A 3 6.917 2.539 1.758 1.00 0.00 H ATOM 53 HA ALA A 3 8.598 4.871 1.393 1.00 0.00 H ATOM 54 HB1 ALA A 3 9.256 4.557 3.760 1.00 0.00 H ATOM 55 HB2 ALA A 3 8.094 3.236 3.871 1.00 0.00 H ATOM 56 HB3 ALA A 3 7.533 4.880 3.563 1.00 0.00 H HETATM 57 N UVR A 4 9.337 1.704 1.582 1.00 0.00 N HETATM 58 HN UVR A 4 8.428 1.424 1.813 1.00 0.00 H HETATM 59 CA UVR A 4 10.266 0.701 1.078 1.00 0.00 C HETATM 60 HA UVR A 4 11.172 1.207 0.776 1.00 0.00 H HETATM 61 CB UVR A 4 10.600 -0.318 2.169 1.00 0.00 C HETATM 62 HB1 UVR A 4 11.357 -0.992 1.797 1.00 0.00 H HETATM 63 HB2 UVR A 4 9.709 -0.884 2.402 1.00 0.00 H HETATM 64 CG UVR A 4 11.113 0.313 3.453 1.00 0.00 C HETATM 65 HG1 UVR A 4 11.652 1.216 3.208 1.00 0.00 H HETATM 66 HG2 UVR A 4 11.777 -0.384 3.944 1.00 0.00 H HETATM 67 CD UVR A 4 9.973 0.657 4.397 1.00 0.00 C HETATM 68 HD1 UVR A 4 9.579 -0.256 4.818 1.00 0.00 H HETATM 69 HD2 UVR A 4 9.199 1.163 3.842 1.00 0.00 H HETATM 70 CE UVR A 4 10.439 1.560 5.527 1.00 0.00 C HETATM 71 HE1 UVR A 4 10.246 2.588 5.256 1.00 0.00 H HETATM 72 HE2 UVR A 4 11.500 1.418 5.675 1.00 0.00 H HETATM 73 CF UVR A 4 9.714 1.247 6.828 1.00 0.00 C HETATM 74 HF1 UVR A 4 10.157 1.819 7.628 1.00 0.00 H HETATM 75 HF2 UVR A 4 9.804 0.189 7.037 1.00 0.00 H HETATM 76 CX UVR A 4 8.256 1.617 6.701 1.00 0.00 C HETATM 77 OX UVR A 4 7.727 1.669 5.592 1.00 0.00 O HETATM 78 CY UVR A 4 7.446 1.923 7.939 1.00 0.00 C HETATM 79 HY1 UVR A 4 6.803 2.770 7.753 1.00 0.00 H HETATM 80 HY2 UVR A 4 8.110 2.132 8.766 1.00 0.00 H HETATM 81 CZ UVR A 4 6.581 0.735 8.292 1.00 0.00 C HETATM 82 HZ1 UVR A 4 5.565 0.958 8.582 1.00 0.00 H HETATM 83 HZ2 UVR A 4 6.972 0.024 9.005 1.00 0.00 H HETATM 84 HZ3 UVR A 4 6.185 0.173 7.458 1.00 0.00 H HETATM 85 C UVR A 4 9.669 -0.010 -0.137 1.00 0.00 C HETATM 86 O UVR A 4 10.253 -0.002 -1.220 1.00 0.00 O TER 87 UVR A 4 ENDMDL MODEL 25 ATOM 1 N TRP A 1 8.445 -0.544 -0.009 1.00 0.00 N ATOM 2 CA TRP A 1 7.716 -1.067 -1.164 1.00 0.00 C ATOM 3 C TRP A 1 6.667 -0.058 -1.632 1.00 0.00 C ATOM 4 O TRP A 1 6.658 0.329 -2.801 1.00 0.00 O ATOM 5 CB TRP A 1 7.073 -2.424 -0.829 1.00 0.00 C ATOM 6 CG TRP A 1 5.701 -2.335 -0.221 1.00 0.00 C ATOM 7 CD1 TRP A 1 5.343 -1.659 0.910 1.00 0.00 C ATOM 8 CD2 TRP A 1 4.507 -2.955 -0.712 1.00 0.00 C ATOM 9 NE1 TRP A 1 3.998 -1.817 1.149 1.00 0.00 N ATOM 10 CE2 TRP A 1 3.464 -2.609 0.168 1.00 0.00 C ATOM 11 CE3 TRP A 1 4.218 -3.768 -1.811 1.00 0.00 C ATOM 12 CZ2 TRP A 1 2.155 -3.048 -0.019 1.00 0.00 C ATOM 13 CZ3 TRP A 1 2.919 -4.204 -1.995 1.00 0.00 C ATOM 14 CH2 TRP A 1 1.902 -3.843 -1.103 1.00 0.00 C ATOM 15 H1 TRP A 1 8.000 -0.521 0.863 1.00 0.00 H ATOM 16 HA TRP A 1 8.431 -1.208 -1.961 1.00 0.00 H ATOM 17 HB2 TRP A 1 6.992 -3.004 -1.734 1.00 0.00 H ATOM 18 HB3 TRP A 1 7.711 -2.947 -0.132 1.00 0.00 H ATOM 19 HD1 TRP A 1 6.025 -1.084 1.517 1.00 0.00 H ATOM 20 HE1 TRP A 1 3.504 -1.425 1.899 1.00 0.00 H ATOM 21 HE3 TRP A 1 4.989 -4.058 -2.511 1.00 0.00 H ATOM 22 HZ2 TRP A 1 1.359 -2.778 0.659 1.00 0.00 H ATOM 23 HZ3 TRP A 1 2.677 -4.834 -2.839 1.00 0.00 H ATOM 24 HH2 TRP A 1 0.902 -4.207 -1.285 1.00 0.00 H HETATM 25 O B3L A 2 7.265 4.558 -0.556 1.00 0.00 O HETATM 26 C B3L A 2 6.773 3.681 0.154 1.00 0.00 C HETATM 27 CA B3L A 2 5.392 3.152 -0.087 1.00 0.00 C HETATM 28 CB B3L A 2 5.340 1.834 -0.910 1.00 0.00 C HETATM 29 N B3L A 2 6.041 0.598 -0.660 1.00 0.00 N HETATM 30 CG B3L A 2 3.878 1.765 -0.444 1.00 0.00 C HETATM 31 CD B3L A 2 3.065 0.637 -1.080 1.00 0.00 C HETATM 32 CE2 B3L A 2 1.626 0.675 -0.589 1.00 0.00 C HETATM 33 CE1 B3L A 2 3.116 0.736 -2.598 1.00 0.00 C HETATM 34 HA B3L A 2 4.825 3.917 -0.598 1.00 0.00 H HETATM 35 HAA B3L A 2 4.954 2.968 0.881 1.00 0.00 H HETATM 36 HB B3L A 2 5.305 2.006 -1.956 1.00 0.00 H HETATM 37 HN B3L A 2 6.297 0.423 0.253 1.00 0.00 H HETATM 38 HG B3L A 2 3.388 2.700 -0.678 1.00 0.00 H HETATM 39 HGA B3L A 2 3.862 1.620 0.629 1.00 0.00 H HETATM 40 HD B3L A 2 3.491 -0.312 -0.791 1.00 0.00 H HETATM 41 H3E2 B3L A 2 1.527 0.045 0.282 1.00 0.00 H HETATM 42 H2E2 B3L A 2 0.970 0.316 -1.369 1.00 0.00 H HETATM 43 H1E2 B3L A 2 1.359 1.690 -0.334 1.00 0.00 H HETATM 44 H3E1 B3L A 2 4.126 0.559 -2.937 1.00 0.00 H HETATM 45 H2E1 B3L A 2 2.800 1.722 -2.905 1.00 0.00 H HETATM 46 H1E1 B3L A 2 2.457 -0.003 -3.029 1.00 0.00 H ATOM 47 N ALA A 3 7.247 3.372 1.354 1.00 0.00 N ATOM 48 CA ALA A 3 8.469 3.954 1.848 1.00 0.00 C ATOM 49 C ALA A 3 9.628 3.003 1.558 1.00 0.00 C ATOM 50 O ALA A 3 10.687 3.422 1.093 1.00 0.00 O ATOM 51 CB ALA A 3 8.367 4.248 3.337 1.00 0.00 C ATOM 52 H ALA A 3 6.945 2.552 1.766 1.00 0.00 H ATOM 53 HA ALA A 3 8.623 4.872 1.325 1.00 0.00 H ATOM 54 HB1 ALA A 3 8.412 3.322 3.891 1.00 0.00 H ATOM 55 HB2 ALA A 3 7.431 4.745 3.542 1.00 0.00 H ATOM 56 HB3 ALA A 3 9.186 4.885 3.635 1.00 0.00 H HETATM 57 N UVR A 4 9.321 1.705 1.612 1.00 0.00 N HETATM 58 HN UVR A 4 8.412 1.446 1.865 1.00 0.00 H HETATM 59 CA UVR A 4 10.225 0.673 1.118 1.00 0.00 C HETATM 60 HA UVR A 4 11.164 1.143 0.871 1.00 0.00 H HETATM 61 CB UVR A 4 10.462 -0.391 2.191 1.00 0.00 C HETATM 62 HB1 UVR A 4 11.242 -1.058 1.855 1.00 0.00 H HETATM 63 HB2 UVR A 4 9.553 -0.957 2.328 1.00 0.00 H HETATM 64 CG UVR A 4 10.875 0.181 3.538 1.00 0.00 C HETATM 65 HG1 UVR A 4 11.450 1.081 3.373 1.00 0.00 H HETATM 66 HG2 UVR A 4 11.481 -0.546 4.057 1.00 0.00 H HETATM 67 CD UVR A 4 9.665 0.518 4.396 1.00 0.00 C HETATM 68 HD1 UVR A 4 8.965 1.087 3.803 1.00 0.00 H HETATM 69 HD2 UVR A 4 9.989 1.108 5.240 1.00 0.00 H HETATM 70 CE UVR A 4 8.974 -0.737 4.908 1.00 0.00 C HETATM 71 HE1 UVR A 4 8.804 -1.406 4.078 1.00 0.00 H HETATM 72 HE2 UVR A 4 8.028 -0.459 5.349 1.00 0.00 H HETATM 73 CF UVR A 4 9.815 -1.450 5.957 1.00 0.00 C HETATM 74 HF1 UVR A 4 9.497 -1.138 6.940 1.00 0.00 H HETATM 75 HF2 UVR A 4 10.856 -1.198 5.809 1.00 0.00 H HETATM 76 CX UVR A 4 9.629 -2.942 5.828 1.00 0.00 C HETATM 77 OX UVR A 4 10.199 -3.557 4.927 1.00 0.00 O HETATM 78 CY UVR A 4 8.744 -3.681 6.803 1.00 0.00 C HETATM 79 HY1 UVR A 4 8.081 -2.986 7.295 1.00 0.00 H HETATM 80 HY2 UVR A 4 9.356 -4.193 7.533 1.00 0.00 H HETATM 81 CZ UVR A 4 7.906 -4.702 6.065 1.00 0.00 C HETATM 82 HZ1 UVR A 4 7.680 -4.470 5.035 1.00 0.00 H HETATM 83 HZ2 UVR A 4 6.990 -5.030 6.533 1.00 0.00 H HETATM 84 HZ3 UVR A 4 8.428 -5.581 5.718 1.00 0.00 H HETATM 85 C UVR A 4 9.646 0.023 -0.140 1.00 0.00 C HETATM 86 O UVR A 4 10.216 0.138 -1.225 1.00 0.00 O TER 87 UVR A 4 ENDMDL MODEL 26 ATOM 1 N TRP A 1 8.402 -0.294 0.008 1.00 0.00 N ATOM 2 CA TRP A 1 7.749 -0.908 -1.144 1.00 0.00 C ATOM 3 C TRP A 1 6.657 0.030 -1.659 1.00 0.00 C ATOM 4 O TRP A 1 6.773 0.554 -2.766 1.00 0.00 O ATOM 5 CB TRP A 1 7.187 -2.293 -0.777 1.00 0.00 C ATOM 6 CG TRP A 1 5.704 -2.331 -0.546 1.00 0.00 C ATOM 7 CD1 TRP A 1 5.032 -1.910 0.566 1.00 0.00 C ATOM 8 CD2 TRP A 1 4.711 -2.832 -1.448 1.00 0.00 C ATOM 9 NE1 TRP A 1 3.683 -2.112 0.407 1.00 0.00 N ATOM 10 CE2 TRP A 1 3.460 -2.678 -0.821 1.00 0.00 C ATOM 11 CE3 TRP A 1 4.759 -3.393 -2.728 1.00 0.00 C ATOM 12 CZ2 TRP A 1 2.269 -3.066 -1.430 1.00 0.00 C ATOM 13 CZ3 TRP A 1 3.577 -3.778 -3.331 1.00 0.00 C ATOM 14 CH2 TRP A 1 2.347 -3.613 -2.682 1.00 0.00 C ATOM 15 H1 TRP A 1 7.883 0.319 0.570 1.00 0.00 H ATOM 16 HA TRP A 1 8.495 -1.023 -1.918 1.00 0.00 H ATOM 17 HB2 TRP A 1 7.410 -2.981 -1.578 1.00 0.00 H ATOM 18 HB3 TRP A 1 7.673 -2.638 0.124 1.00 0.00 H ATOM 19 HD1 TRP A 1 5.506 -1.478 1.435 1.00 0.00 H ATOM 20 HE1 TRP A 1 2.992 -1.888 1.066 1.00 0.00 H ATOM 21 HE3 TRP A 1 5.699 -3.528 -3.243 1.00 0.00 H ATOM 22 HZ2 TRP A 1 1.313 -2.945 -0.944 1.00 0.00 H ATOM 23 HZ3 TRP A 1 3.594 -4.214 -4.318 1.00 0.00 H ATOM 24 HH2 TRP A 1 1.447 -3.928 -3.191 1.00 0.00 H HETATM 25 O B3L A 2 7.125 4.557 -0.523 1.00 0.00 O HETATM 26 C B3L A 2 6.713 3.616 0.154 1.00 0.00 C HETATM 27 CA B3L A 2 5.317 3.092 -0.022 1.00 0.00 C HETATM 28 CB B3L A 2 5.206 1.811 -0.903 1.00 0.00 C HETATM 29 N B3L A 2 5.882 0.550 -0.709 1.00 0.00 N HETATM 30 CG B3L A 2 3.756 1.772 -0.393 1.00 0.00 C HETATM 31 CD B3L A 2 2.862 0.750 -1.093 1.00 0.00 C HETATM 32 CE2 B3L A 2 1.475 0.740 -0.468 1.00 0.00 C HETATM 33 CE1 B3L A 2 2.775 1.048 -2.582 1.00 0.00 C HETATM 34 HA B3L A 2 4.722 3.881 -0.460 1.00 0.00 H HETATM 35 HAA B3L A 2 4.938 2.864 0.964 1.00 0.00 H HETATM 36 HB B3L A 2 5.143 2.019 -1.941 1.00 0.00 H HETATM 37 HN B3L A 2 6.032 0.278 0.204 1.00 0.00 H HETATM 38 HG B3L A 2 3.308 2.747 -0.526 1.00 0.00 H HETATM 39 HGA B3L A 2 3.766 1.536 0.663 1.00 0.00 H HETATM 40 HD B3L A 2 3.288 -0.234 -0.971 1.00 0.00 H HETATM 41 H3E2 B3L A 2 1.272 1.706 -0.029 1.00 0.00 H HETATM 42 H2E2 B3L A 2 1.430 -0.020 0.299 1.00 0.00 H HETATM 43 H1E2 B3L A 2 0.739 0.528 -1.228 1.00 0.00 H HETATM 44 H3E1 B3L A 2 2.129 0.325 -3.057 1.00 0.00 H HETATM 45 H2E1 B3L A 2 3.762 0.990 -3.019 1.00 0.00 H HETATM 46 H1E1 B3L A 2 2.375 2.040 -2.729 1.00 0.00 H ATOM 47 N ALA A 3 7.294 3.246 1.292 1.00 0.00 N ATOM 48 CA ALA A 3 8.481 3.914 1.787 1.00 0.00 C ATOM 49 C ALA A 3 9.630 2.924 1.894 1.00 0.00 C ATOM 50 O ALA A 3 10.305 2.857 2.922 1.00 0.00 O ATOM 51 CB ALA A 3 8.214 4.568 3.127 1.00 0.00 C ATOM 52 H ALA A 3 7.094 2.367 1.644 1.00 0.00 H ATOM 53 HA ALA A 3 8.735 4.659 1.082 1.00 0.00 H ATOM 54 HB1 ALA A 3 7.915 5.594 2.975 1.00 0.00 H ATOM 55 HB2 ALA A 3 9.113 4.537 3.724 1.00 0.00 H ATOM 56 HB3 ALA A 3 7.426 4.033 3.634 1.00 0.00 H HETATM 57 N UVR A 4 9.564 1.941 1.009 1.00 0.00 N HETATM 58 HN UVR A 4 8.827 1.960 0.378 1.00 0.00 H HETATM 59 CA UVR A 4 10.225 0.667 1.220 1.00 0.00 C HETATM 60 HA UVR A 4 11.265 0.787 1.101 1.00 0.00 H HETATM 61 CB UVR A 4 9.938 0.209 2.639 1.00 0.00 C HETATM 62 HB1 UVR A 4 9.269 0.931 3.080 1.00 0.00 H HETATM 63 HB2 UVR A 4 10.856 0.180 3.200 1.00 0.00 H HETATM 64 CG UVR A 4 9.279 -1.127 2.721 1.00 0.00 C HETATM 65 HG1 UVR A 4 9.484 -1.572 3.679 1.00 0.00 H HETATM 66 HG2 UVR A 4 9.670 -1.744 1.928 1.00 0.00 H HETATM 67 CD UVR A 4 7.788 -0.946 2.550 1.00 0.00 C HETATM 68 HD1 UVR A 4 7.461 -1.529 1.706 1.00 0.00 H HETATM 69 HD2 UVR A 4 7.599 0.112 2.358 1.00 0.00 H HETATM 70 CE UVR A 4 7.018 -1.374 3.791 1.00 0.00 C HETATM 71 HE1 UVR A 4 7.660 -1.271 4.653 1.00 0.00 H HETATM 72 HE2 UVR A 4 6.723 -2.407 3.680 1.00 0.00 H HETATM 73 CF UVR A 4 5.769 -0.526 3.995 1.00 0.00 C HETATM 74 HF1 UVR A 4 4.901 -1.167 3.997 1.00 0.00 H HETATM 75 HF2 UVR A 4 5.693 0.194 3.191 1.00 0.00 H HETATM 76 CX UVR A 4 5.852 0.199 5.317 1.00 0.00 C HETATM 77 OX UVR A 4 5.504 -0.369 6.352 1.00 0.00 O HETATM 78 CY UVR A 4 6.364 1.621 5.368 1.00 0.00 C HETATM 79 HY1 UVR A 4 5.584 2.301 5.057 1.00 0.00 H HETATM 80 HY2 UVR A 4 7.224 1.720 4.721 1.00 0.00 H HETATM 81 CZ UVR A 4 6.772 1.975 6.782 1.00 0.00 C HETATM 82 HZ1 UVR A 4 6.319 1.385 7.566 1.00 0.00 H HETATM 83 HZ2 UVR A 4 6.707 3.011 7.079 1.00 0.00 H HETATM 84 HZ3 UVR A 4 7.734 1.604 7.103 1.00 0.00 H HETATM 85 C UVR A 4 9.715 -0.325 0.179 1.00 0.00 C HETATM 86 O UVR A 4 10.484 -0.860 -0.619 1.00 0.00 O TER 87 UVR A 4 ENDMDL MODEL 27 ATOM 1 N TRP A 1 8.440 -0.538 0.004 1.00 0.00 N ATOM 2 CA TRP A 1 7.699 -1.085 -1.131 1.00 0.00 C ATOM 3 C TRP A 1 6.661 -0.075 -1.620 1.00 0.00 C ATOM 4 O TRP A 1 6.663 0.295 -2.795 1.00 0.00 O ATOM 5 CB TRP A 1 7.040 -2.423 -0.754 1.00 0.00 C ATOM 6 CG TRP A 1 5.657 -2.304 -0.176 1.00 0.00 C ATOM 7 CD1 TRP A 1 5.286 -1.610 0.939 1.00 0.00 C ATOM 8 CD2 TRP A 1 4.464 -2.912 -0.685 1.00 0.00 C ATOM 9 NE1 TRP A 1 3.935 -1.744 1.151 1.00 0.00 N ATOM 10 CE2 TRP A 1 3.408 -2.540 0.169 1.00 0.00 C ATOM 11 CE3 TRP A 1 4.186 -3.733 -1.781 1.00 0.00 C ATOM 12 CZ2 TRP A 1 2.097 -2.960 -0.041 1.00 0.00 C ATOM 13 CZ3 TRP A 1 2.884 -4.151 -1.987 1.00 0.00 C ATOM 14 CH2 TRP A 1 1.854 -3.763 -1.122 1.00 0.00 C ATOM 15 H1 TRP A 1 7.998 -0.475 0.876 1.00 0.00 H ATOM 16 HA TRP A 1 8.408 -1.259 -1.928 1.00 0.00 H ATOM 17 HB2 TRP A 1 6.973 -3.040 -1.636 1.00 0.00 H ATOM 18 HB3 TRP A 1 7.662 -2.923 -0.025 1.00 0.00 H ATOM 19 HD1 TRP A 1 5.964 -1.038 1.554 1.00 0.00 H ATOM 20 HE1 TRP A 1 3.431 -1.337 1.887 1.00 0.00 H ATOM 21 HE3 TRP A 1 4.966 -4.042 -2.460 1.00 0.00 H ATOM 22 HZ2 TRP A 1 1.291 -2.670 0.618 1.00 0.00 H ATOM 23 HZ3 TRP A 1 2.651 -4.786 -2.829 1.00 0.00 H ATOM 24 HH2 TRP A 1 0.852 -4.114 -1.321 1.00 0.00 H HETATM 25 O B3L A 2 7.313 4.548 -0.556 1.00 0.00 O HETATM 26 C B3L A 2 6.795 3.680 0.147 1.00 0.00 C HETATM 27 CA B3L A 2 5.413 3.169 -0.118 1.00 0.00 C HETATM 28 CB B3L A 2 5.360 1.846 -0.935 1.00 0.00 C HETATM 29 N B3L A 2 6.040 0.603 -0.662 1.00 0.00 N HETATM 30 CG B3L A 2 3.889 1.799 -0.497 1.00 0.00 C HETATM 31 CD B3L A 2 3.078 0.666 -1.127 1.00 0.00 C HETATM 32 CE2 B3L A 2 1.649 0.679 -0.607 1.00 0.00 C HETATM 33 CE1 B3L A 2 3.098 0.777 -2.644 1.00 0.00 C HETATM 34 HA B3L A 2 4.868 3.938 -0.646 1.00 0.00 H HETATM 35 HAA B3L A 2 4.952 2.996 0.842 1.00 0.00 H HETATM 36 HB B3L A 2 5.348 2.013 -1.981 1.00 0.00 H HETATM 37 HN B3L A 2 6.288 0.438 0.255 1.00 0.00 H HETATM 38 HG B3L A 2 3.412 2.733 -0.760 1.00 0.00 H HETATM 39 HGA B3L A 2 3.850 1.675 0.578 1.00 0.00 H HETATM 40 HD B3L A 2 3.524 -0.280 -0.854 1.00 0.00 H HETATM 41 H3E2 B3L A 2 1.215 -0.305 -0.721 1.00 0.00 H HETATM 42 H2E2 B3L A 2 1.067 1.395 -1.169 1.00 0.00 H HETATM 43 H1E2 B3L A 2 1.647 0.953 0.437 1.00 0.00 H HETATM 44 H3E1 B3L A 2 2.588 -0.073 -3.074 1.00 0.00 H HETATM 45 H2E1 B3L A 2 4.120 0.796 -2.990 1.00 0.00 H HETATM 46 H1E1 B3L A 2 2.598 1.686 -2.944 1.00 0.00 H ATOM 47 N ALA A 3 7.239 3.373 1.360 1.00 0.00 N ATOM 48 CA ALA A 3 8.455 3.947 1.880 1.00 0.00 C ATOM 49 C ALA A 3 9.621 3.011 1.574 1.00 0.00 C ATOM 50 O ALA A 3 10.689 3.450 1.148 1.00 0.00 O ATOM 51 CB ALA A 3 8.337 4.196 3.376 1.00 0.00 C ATOM 52 H ALA A 3 6.917 2.561 1.771 1.00 0.00 H ATOM 53 HA ALA A 3 8.608 4.881 1.385 1.00 0.00 H ATOM 54 HB1 ALA A 3 7.965 3.306 3.861 1.00 0.00 H ATOM 55 HB2 ALA A 3 7.655 5.015 3.552 1.00 0.00 H ATOM 56 HB3 ALA A 3 9.308 4.446 3.776 1.00 0.00 H HETATM 57 N UVR A 4 9.319 1.710 1.580 1.00 0.00 N HETATM 58 HN UVR A 4 8.406 1.440 1.806 1.00 0.00 H HETATM 59 CA UVR A 4 10.240 0.697 1.081 1.00 0.00 C HETATM 60 HA UVR A 4 11.158 1.190 0.799 1.00 0.00 H HETATM 61 CB UVR A 4 10.539 -0.336 2.169 1.00 0.00 C HETATM 62 HB1 UVR A 4 11.275 -1.033 1.796 1.00 0.00 H HETATM 63 HB2 UVR A 4 9.630 -0.872 2.400 1.00 0.00 H HETATM 64 CG UVR A 4 11.072 0.274 3.455 1.00 0.00 C HETATM 65 HG1 UVR A 4 11.700 1.118 3.210 1.00 0.00 H HETATM 66 HG2 UVR A 4 11.653 -0.470 3.981 1.00 0.00 H HETATM 67 CD UVR A 4 9.943 0.744 4.358 1.00 0.00 C HETATM 68 HD1 UVR A 4 9.716 -0.037 5.070 1.00 0.00 H HETATM 69 HD2 UVR A 4 9.071 0.945 3.753 1.00 0.00 H HETATM 70 CE UVR A 4 10.320 2.008 5.113 1.00 0.00 C HETATM 71 HE1 UVR A 4 9.471 2.676 5.122 1.00 0.00 H HETATM 72 HE2 UVR A 4 11.148 2.483 4.609 1.00 0.00 H HETATM 73 CF UVR A 4 10.727 1.702 6.546 1.00 0.00 C HETATM 74 HF1 UVR A 4 11.801 1.622 6.602 1.00 0.00 H HETATM 75 HF2 UVR A 4 10.270 0.770 6.853 1.00 0.00 H HETATM 76 CX UVR A 4 10.266 2.816 7.455 1.00 0.00 C HETATM 77 OX UVR A 4 10.758 3.938 7.351 1.00 0.00 O HETATM 78 CY UVR A 4 9.200 2.552 8.492 1.00 0.00 C HETATM 79 HY1 UVR A 4 9.272 1.533 8.839 1.00 0.00 H HETATM 80 HY2 UVR A 4 8.223 2.731 8.063 1.00 0.00 H HETATM 81 CZ UVR A 4 9.391 3.476 9.674 1.00 0.00 C HETATM 82 HZ1 UVR A 4 10.326 3.375 10.205 1.00 0.00 H HETATM 83 HZ2 UVR A 4 8.602 3.519 10.410 1.00 0.00 H HETATM 84 HZ3 UVR A 4 9.672 4.492 9.439 1.00 0.00 H HETATM 85 C UVR A 4 9.650 0.005 -0.149 1.00 0.00 C HETATM 86 O UVR A 4 10.216 0.074 -1.240 1.00 0.00 O TER 87 UVR A 4 ENDMDL MODEL 28 ATOM 1 N TRP A 1 8.465 -0.458 0.083 1.00 0.00 N ATOM 2 CA TRP A 1 7.662 -0.966 -1.030 1.00 0.00 C ATOM 3 C TRP A 1 6.779 0.146 -1.582 1.00 0.00 C ATOM 4 O TRP A 1 7.139 0.792 -2.567 1.00 0.00 O ATOM 5 CB TRP A 1 6.800 -2.161 -0.593 1.00 0.00 C ATOM 6 CG TRP A 1 6.771 -2.387 0.890 1.00 0.00 C ATOM 7 CD1 TRP A 1 5.941 -1.789 1.795 1.00 0.00 C ATOM 8 CD2 TRP A 1 7.612 -3.271 1.639 1.00 0.00 C ATOM 9 NE1 TRP A 1 6.214 -2.249 3.060 1.00 0.00 N ATOM 10 CE2 TRP A 1 7.235 -3.161 2.991 1.00 0.00 C ATOM 11 CE3 TRP A 1 8.645 -4.149 1.297 1.00 0.00 C ATOM 12 CZ2 TRP A 1 7.856 -3.893 4.000 1.00 0.00 C ATOM 13 CZ3 TRP A 1 9.260 -4.875 2.299 1.00 0.00 C ATOM 14 CH2 TRP A 1 8.865 -4.744 3.636 1.00 0.00 C ATOM 15 H1 TRP A 1 8.023 -0.280 0.940 1.00 0.00 H ATOM 16 HA TRP A 1 8.340 -1.285 -1.805 1.00 0.00 H ATOM 17 HB2 TRP A 1 5.783 -2.001 -0.922 1.00 0.00 H ATOM 18 HB3 TRP A 1 7.183 -3.057 -1.059 1.00 0.00 H ATOM 19 HD1 TRP A 1 5.186 -1.062 1.540 1.00 0.00 H ATOM 20 HE1 TRP A 1 5.753 -1.972 3.878 1.00 0.00 H ATOM 21 HE3 TRP A 1 8.964 -4.264 0.272 1.00 0.00 H ATOM 22 HZ2 TRP A 1 7.563 -3.804 5.035 1.00 0.00 H ATOM 23 HZ3 TRP A 1 10.061 -5.557 2.054 1.00 0.00 H ATOM 24 HH2 TRP A 1 9.375 -5.330 4.385 1.00 0.00 H HETATM 25 O B3L A 2 7.217 4.522 -0.567 1.00 0.00 O HETATM 26 C B3L A 2 6.748 3.611 0.117 1.00 0.00 C HETATM 27 CA B3L A 2 5.340 3.134 -0.073 1.00 0.00 C HETATM 28 CB B3L A 2 5.199 1.858 -0.953 1.00 0.00 C HETATM 29 N B3L A 2 5.830 0.576 -0.758 1.00 0.00 N HETATM 30 CG B3L A 2 3.745 1.859 -0.453 1.00 0.00 C HETATM 31 CD B3L A 2 2.850 0.803 -1.104 1.00 0.00 C HETATM 32 CE2 B3L A 2 1.743 0.380 -0.150 1.00 0.00 C HETATM 33 CE1 B3L A 2 2.263 1.332 -2.405 1.00 0.00 C HETATM 34 HA B3L A 2 4.772 3.939 -0.516 1.00 0.00 H HETATM 35 HAA B3L A 2 4.946 2.914 0.908 1.00 0.00 H HETATM 36 HB B3L A 2 5.147 2.068 -1.991 1.00 0.00 H HETATM 37 HN B3L A 2 5.771 0.188 0.122 1.00 0.00 H HETATM 38 HG B3L A 2 3.306 2.828 -0.646 1.00 0.00 H HETATM 39 HGA B3L A 2 3.743 1.681 0.615 1.00 0.00 H HETATM 40 HD B3L A 2 3.444 -0.070 -1.334 1.00 0.00 H HETATM 41 H3E2 B3L A 2 1.153 -0.401 -0.607 1.00 0.00 H HETATM 42 H2E2 B3L A 2 1.111 1.228 0.066 1.00 0.00 H HETATM 43 H1E2 B3L A 2 2.180 0.012 0.767 1.00 0.00 H HETATM 44 H3E1 B3L A 2 1.297 1.776 -2.209 1.00 0.00 H HETATM 45 H2E1 B3L A 2 2.149 0.517 -3.104 1.00 0.00 H HETATM 46 H1E1 B3L A 2 2.923 2.077 -2.821 1.00 0.00 H ATOM 47 N ALA A 3 7.252 3.259 1.295 1.00 0.00 N ATOM 48 CA ALA A 3 8.451 3.870 1.815 1.00 0.00 C ATOM 49 C ALA A 3 9.648 2.978 1.507 1.00 0.00 C ATOM 50 O ALA A 3 10.651 3.436 0.960 1.00 0.00 O ATOM 51 CB ALA A 3 8.324 4.115 3.312 1.00 0.00 C ATOM 52 H ALA A 3 6.963 2.425 1.687 1.00 0.00 H ATOM 53 HA ALA A 3 8.572 4.810 1.322 1.00 0.00 H ATOM 54 HB1 ALA A 3 8.602 5.135 3.534 1.00 0.00 H ATOM 55 HB2 ALA A 3 8.978 3.440 3.845 1.00 0.00 H ATOM 56 HB3 ALA A 3 7.304 3.945 3.620 1.00 0.00 H HETATM 57 N UVR A 4 9.418 1.671 1.621 1.00 0.00 N HETATM 58 HN UVR A 4 8.534 1.373 1.920 1.00 0.00 H HETATM 59 CA UVR A 4 10.347 0.675 1.101 1.00 0.00 C HETATM 60 HA UVR A 4 11.238 1.188 0.772 1.00 0.00 H HETATM 61 CB UVR A 4 10.717 -0.331 2.191 1.00 0.00 C HETATM 62 HB1 UVR A 4 11.580 -0.894 1.868 1.00 0.00 H HETATM 63 HB2 UVR A 4 9.889 -1.010 2.333 1.00 0.00 H HETATM 64 CG UVR A 4 11.039 0.312 3.530 1.00 0.00 C HETATM 65 HG1 UVR A 4 11.559 1.242 3.355 1.00 0.00 H HETATM 66 HG2 UVR A 4 11.671 -0.356 4.095 1.00 0.00 H HETATM 67 CD UVR A 4 9.778 0.592 4.329 1.00 0.00 C HETATM 68 HD1 UVR A 4 9.107 -0.249 4.231 1.00 0.00 H HETATM 69 HD2 UVR A 4 9.305 1.479 3.936 1.00 0.00 H HETATM 70 CE UVR A 4 10.086 0.809 5.804 1.00 0.00 C HETATM 71 HE1 UVR A 4 11.150 0.701 5.961 1.00 0.00 H HETATM 72 HE2 UVR A 4 9.558 0.067 6.385 1.00 0.00 H HETATM 73 CF UVR A 4 9.657 2.192 6.267 1.00 0.00 C HETATM 74 HF1 UVR A 4 8.654 2.391 5.918 1.00 0.00 H HETATM 75 HF2 UVR A 4 10.340 2.929 5.866 1.00 0.00 H HETATM 76 CX UVR A 4 9.676 2.252 7.775 1.00 0.00 C HETATM 77 OX UVR A 4 8.684 1.910 8.416 1.00 0.00 O HETATM 78 CY UVR A 4 10.914 2.729 8.496 1.00 0.00 C HETATM 79 HY1 UVR A 4 10.690 2.888 9.539 1.00 0.00 H HETATM 80 HY2 UVR A 4 11.266 3.647 8.045 1.00 0.00 H HETATM 81 CZ UVR A 4 12.002 1.684 8.394 1.00 0.00 C HETATM 82 HZ1 UVR A 4 11.671 0.674 8.203 1.00 0.00 H HETATM 83 HZ2 UVR A 4 12.733 1.642 9.187 1.00 0.00 H HETATM 84 HZ3 UVR A 4 12.538 1.649 7.457 1.00 0.00 H HETATM 85 C UVR A 4 9.720 -0.048 -0.089 1.00 0.00 C HETATM 86 O UVR A 4 10.287 -0.070 -1.182 1.00 0.00 O TER 87 UVR A 4 ENDMDL MODEL 29 ATOM 1 N TRP A 1 8.434 -0.428 0.026 1.00 0.00 N ATOM 2 CA TRP A 1 7.695 -1.013 -1.092 1.00 0.00 C ATOM 3 C TRP A 1 6.668 -0.012 -1.626 1.00 0.00 C ATOM 4 O TRP A 1 6.798 0.455 -2.758 1.00 0.00 O ATOM 5 CB TRP A 1 7.040 -2.338 -0.663 1.00 0.00 C ATOM 6 CG TRP A 1 5.544 -2.296 -0.530 1.00 0.00 C ATOM 7 CD1 TRP A 1 4.828 -1.849 0.543 1.00 0.00 C ATOM 8 CD2 TRP A 1 4.584 -2.731 -1.501 1.00 0.00 C ATOM 9 NE1 TRP A 1 3.483 -1.980 0.299 1.00 0.00 N ATOM 10 CE2 TRP A 1 3.307 -2.517 -0.950 1.00 0.00 C ATOM 11 CE3 TRP A 1 4.681 -3.279 -2.784 1.00 0.00 C ATOM 12 CZ2 TRP A 1 2.136 -2.832 -1.636 1.00 0.00 C ATOM 13 CZ3 TRP A 1 3.518 -3.591 -3.464 1.00 0.00 C ATOM 14 CH2 TRP A 1 2.260 -3.366 -2.889 1.00 0.00 C ATOM 15 H1 TRP A 1 7.956 -0.235 0.861 1.00 0.00 H ATOM 16 HA TRP A 1 8.409 -1.216 -1.876 1.00 0.00 H ATOM 17 HB2 TRP A 1 7.281 -3.097 -1.391 1.00 0.00 H ATOM 18 HB3 TRP A 1 7.449 -2.631 0.294 1.00 0.00 H ATOM 19 HD1 TRP A 1 5.268 -1.454 1.446 1.00 0.00 H ATOM 20 HE1 TRP A 1 2.765 -1.727 0.917 1.00 0.00 H ATOM 21 HE3 TRP A 1 5.640 -3.459 -3.243 1.00 0.00 H ATOM 22 HZ2 TRP A 1 1.160 -2.665 -1.206 1.00 0.00 H ATOM 23 HZ3 TRP A 1 3.572 -4.015 -4.455 1.00 0.00 H ATOM 24 HH2 TRP A 1 1.379 -3.625 -3.456 1.00 0.00 H HETATM 25 O B3L A 2 7.305 4.514 -0.573 1.00 0.00 O HETATM 26 C B3L A 2 6.792 3.638 0.124 1.00 0.00 C HETATM 27 CA B3L A 2 5.392 3.162 -0.116 1.00 0.00 C HETATM 28 CB B3L A 2 5.289 1.853 -0.953 1.00 0.00 C HETATM 29 N B3L A 2 5.923 0.580 -0.697 1.00 0.00 N HETATM 30 CG B3L A 2 3.816 1.869 -0.511 1.00 0.00 C HETATM 31 CD B3L A 2 2.910 0.908 -1.283 1.00 0.00 C HETATM 32 CE2 B3L A 2 1.450 1.147 -0.927 1.00 0.00 C HETATM 33 CE1 B3L A 2 3.123 1.055 -2.783 1.00 0.00 C HETATM 34 HA B3L A 2 4.853 3.951 -0.619 1.00 0.00 H HETATM 35 HAA B3L A 2 4.948 2.983 0.852 1.00 0.00 H HETATM 36 HB B3L A 2 5.280 2.030 -1.997 1.00 0.00 H HETATM 37 HN B3L A 2 6.061 0.340 0.227 1.00 0.00 H HETATM 38 HG B3L A 2 3.419 2.867 -0.637 1.00 0.00 H HETATM 39 HGA B3L A 2 3.767 1.604 0.536 1.00 0.00 H HETATM 40 HD B3L A 2 3.158 -0.104 -1.008 1.00 0.00 H HETATM 41 H3E2 B3L A 2 1.232 2.201 -0.994 1.00 0.00 H HETATM 42 H2E2 B3L A 2 1.264 0.803 0.080 1.00 0.00 H HETATM 43 H1E2 B3L A 2 0.819 0.603 -1.614 1.00 0.00 H HETATM 44 H3E1 B3L A 2 2.288 0.617 -3.310 1.00 0.00 H HETATM 45 H2E1 B3L A 2 4.034 0.550 -3.068 1.00 0.00 H HETATM 46 H1E1 B3L A 2 3.197 2.102 -3.034 1.00 0.00 H ATOM 47 N ALA A 3 7.248 3.317 1.328 1.00 0.00 N ATOM 48 CA ALA A 3 8.453 3.908 1.853 1.00 0.00 C ATOM 49 C ALA A 3 9.637 2.995 1.550 1.00 0.00 C ATOM 50 O ALA A 3 10.679 3.447 1.076 1.00 0.00 O ATOM 51 CB ALA A 3 8.326 4.156 3.350 1.00 0.00 C ATOM 52 H ALA A 3 6.931 2.502 1.738 1.00 0.00 H ATOM 53 HA ALA A 3 8.593 4.847 1.361 1.00 0.00 H ATOM 54 HB1 ALA A 3 7.298 4.018 3.651 1.00 0.00 H ATOM 55 HB2 ALA A 3 8.636 5.165 3.576 1.00 0.00 H ATOM 56 HB3 ALA A 3 8.955 3.459 3.885 1.00 0.00 H HETATM 57 N UVR A 4 9.370 1.689 1.604 1.00 0.00 N HETATM 58 HN UVR A 4 8.472 1.401 1.862 1.00 0.00 H HETATM 59 CA UVR A 4 10.304 0.687 1.106 1.00 0.00 C HETATM 60 HA UVR A 4 11.205 1.196 0.795 1.00 0.00 H HETATM 61 CB UVR A 4 10.646 -0.315 2.209 1.00 0.00 C HETATM 62 HB1 UVR A 4 11.511 -0.885 1.905 1.00 0.00 H HETATM 63 HB2 UVR A 4 9.811 -0.986 2.339 1.00 0.00 H HETATM 64 CG UVR A 4 10.948 0.334 3.550 1.00 0.00 C HETATM 65 HG1 UVR A 4 11.511 1.241 3.380 1.00 0.00 H HETATM 66 HG2 UVR A 4 11.536 -0.350 4.145 1.00 0.00 H HETATM 67 CD UVR A 4 9.672 0.676 4.305 1.00 0.00 C HETATM 68 HD1 UVR A 4 8.823 0.465 3.671 1.00 0.00 H HETATM 69 HD2 UVR A 4 9.685 1.726 4.554 1.00 0.00 H HETATM 70 CE UVR A 4 9.546 -0.133 5.586 1.00 0.00 C HETATM 71 HE1 UVR A 4 9.141 0.502 6.361 1.00 0.00 H HETATM 72 HE2 UVR A 4 10.526 -0.480 5.879 1.00 0.00 H HETATM 73 CF UVR A 4 8.632 -1.333 5.401 1.00 0.00 C HETATM 74 HF1 UVR A 4 8.843 -2.063 6.167 1.00 0.00 H HETATM 75 HF2 UVR A 4 8.806 -1.763 4.423 1.00 0.00 H HETATM 76 CX UVR A 4 7.192 -0.898 5.516 1.00 0.00 C HETATM 77 OX UVR A 4 6.556 -0.607 4.504 1.00 0.00 O HETATM 78 CY UVR A 4 6.533 -0.819 6.872 1.00 0.00 C HETATM 79 HY1 UVR A 4 5.487 -0.580 6.756 1.00 0.00 H HETATM 80 HY2 UVR A 4 7.023 -0.065 7.472 1.00 0.00 H HETATM 81 CZ UVR A 4 6.642 -2.154 7.575 1.00 0.00 C HETATM 82 HZ1 UVR A 4 6.575 -3.028 6.944 1.00 0.00 H HETATM 83 HZ2 UVR A 4 6.007 -2.324 8.431 1.00 0.00 H HETATM 84 HZ3 UVR A 4 7.641 -2.465 7.844 1.00 0.00 H HETATM 85 C UVR A 4 9.705 -0.042 -0.096 1.00 0.00 C HETATM 86 O UVR A 4 10.342 -0.158 -1.143 1.00 0.00 O TER 87 UVR A 4 ENDMDL MODEL 30 ATOM 1 N TRP A 1 8.467 -0.475 0.090 1.00 0.00 N ATOM 2 CA TRP A 1 7.651 -0.981 -1.011 1.00 0.00 C ATOM 3 C TRP A 1 6.785 0.140 -1.573 1.00 0.00 C ATOM 4 O TRP A 1 7.164 0.785 -2.551 1.00 0.00 O ATOM 5 CB TRP A 1 6.768 -2.154 -0.556 1.00 0.00 C ATOM 6 CG TRP A 1 6.782 -2.398 0.924 1.00 0.00 C ATOM 7 CD1 TRP A 1 6.029 -1.758 1.867 1.00 0.00 C ATOM 8 CD2 TRP A 1 7.589 -3.347 1.631 1.00 0.00 C ATOM 9 NE1 TRP A 1 6.317 -2.254 3.115 1.00 0.00 N ATOM 10 CE2 TRP A 1 7.272 -3.229 2.997 1.00 0.00 C ATOM 11 CE3 TRP A 1 8.549 -4.285 1.240 1.00 0.00 C ATOM 12 CZ2 TRP A 1 7.880 -4.014 3.973 1.00 0.00 C ATOM 13 CZ3 TRP A 1 9.152 -5.064 2.211 1.00 0.00 C ATOM 14 CH2 TRP A 1 8.815 -4.925 3.563 1.00 0.00 C ATOM 15 H1 TRP A 1 8.042 -0.308 0.956 1.00 0.00 H ATOM 16 HA TRP A 1 8.319 -1.322 -1.786 1.00 0.00 H ATOM 17 HB2 TRP A 1 5.746 -1.960 -0.849 1.00 0.00 H ATOM 18 HB3 TRP A 1 7.108 -3.056 -1.045 1.00 0.00 H ATOM 19 HD1 TRP A 1 5.314 -0.979 1.649 1.00 0.00 H ATOM 20 HE1 TRP A 1 5.906 -1.957 3.954 1.00 0.00 H ATOM 21 HE3 TRP A 1 8.823 -4.407 0.202 1.00 0.00 H ATOM 22 HZ2 TRP A 1 7.630 -3.920 5.020 1.00 0.00 H ATOM 23 HZ3 TRP A 1 9.896 -5.794 1.928 1.00 0.00 H ATOM 24 HH2 TRP A 1 9.312 -5.554 4.287 1.00 0.00 H HETATM 25 O B3L A 2 7.244 4.513 -0.568 1.00 0.00 O HETATM 26 C B3L A 2 6.763 3.607 0.114 1.00 0.00 C HETATM 27 CA B3L A 2 5.352 3.140 -0.086 1.00 0.00 C HETATM 28 CB B3L A 2 5.209 1.863 -0.963 1.00 0.00 C HETATM 29 N B3L A 2 5.829 0.576 -0.762 1.00 0.00 N HETATM 30 CG B3L A 2 3.752 1.875 -0.473 1.00 0.00 C HETATM 31 CD B3L A 2 2.860 0.807 -1.107 1.00 0.00 C HETATM 32 CE2 B3L A 2 1.625 0.567 -0.253 1.00 0.00 C HETATM 33 CE1 B3L A 2 2.464 1.214 -2.519 1.00 0.00 C HETATM 34 HA B3L A 2 4.793 3.948 -0.535 1.00 0.00 H HETATM 35 HAA B3L A 2 4.950 2.927 0.893 1.00 0.00 H HETATM 36 HB B3L A 2 5.165 2.071 -2.002 1.00 0.00 H HETATM 37 HN B3L A 2 5.751 0.185 0.116 1.00 0.00 H HETATM 38 HG B3L A 2 3.315 2.841 -0.690 1.00 0.00 H HETATM 39 HGA B3L A 2 3.742 1.720 0.598 1.00 0.00 H HETATM 40 HD B3L A 2 3.409 -0.121 -1.168 1.00 0.00 H HETATM 41 H3E2 B3L A 2 1.909 0.054 0.654 1.00 0.00 H HETATM 42 H2E2 B3L A 2 0.919 -0.037 -0.801 1.00 0.00 H HETATM 43 H1E2 B3L A 2 1.172 1.515 -0.002 1.00 0.00 H HETATM 44 H3E1 B3L A 2 1.487 1.674 -2.500 1.00 0.00 H HETATM 45 H2E1 B3L A 2 2.439 0.340 -3.153 1.00 0.00 H HETATM 46 H1E1 B3L A 2 3.185 1.919 -2.906 1.00 0.00 H ATOM 47 N ALA A 3 7.250 3.261 1.301 1.00 0.00 N ATOM 48 CA ALA A 3 8.445 3.870 1.832 1.00 0.00 C ATOM 49 C ALA A 3 9.645 2.985 1.519 1.00 0.00 C ATOM 50 O ALA A 3 10.653 3.452 0.986 1.00 0.00 O ATOM 51 CB ALA A 3 8.314 4.098 3.331 1.00 0.00 C ATOM 52 H ALA A 3 6.947 2.435 1.700 1.00 0.00 H ATOM 53 HA ALA A 3 8.565 4.815 1.349 1.00 0.00 H ATOM 54 HB1 ALA A 3 9.298 4.185 3.769 1.00 0.00 H ATOM 55 HB2 ALA A 3 7.794 3.265 3.778 1.00 0.00 H ATOM 56 HB3 ALA A 3 7.760 5.007 3.509 1.00 0.00 H HETATM 57 N UVR A 4 9.416 1.676 1.609 1.00 0.00 N HETATM 58 HN UVR A 4 8.528 1.374 1.896 1.00 0.00 H HETATM 59 CA UVR A 4 10.347 0.690 1.076 1.00 0.00 C HETATM 60 HA UVR A 4 11.226 1.213 0.737 1.00 0.00 H HETATM 61 CB UVR A 4 10.744 -0.314 2.160 1.00 0.00 C HETATM 62 HB1 UVR A 4 11.558 -0.922 1.791 1.00 0.00 H HETATM 63 HB2 UVR A 4 9.899 -0.951 2.373 1.00 0.00 H HETATM 64 CG UVR A 4 11.188 0.338 3.459 1.00 0.00 C HETATM 65 HG1 UVR A 4 11.709 1.256 3.230 1.00 0.00 H HETATM 66 HG2 UVR A 4 11.853 -0.335 3.980 1.00 0.00 H HETATM 67 CD UVR A 4 10.001 0.652 4.353 1.00 0.00 C HETATM 68 HD1 UVR A 4 9.767 -0.224 4.942 1.00 0.00 H HETATM 69 HD2 UVR A 4 9.154 0.907 3.734 1.00 0.00 H HETATM 70 CE UVR A 4 10.296 1.815 5.289 1.00 0.00 C HETATM 71 HE1 UVR A 4 9.667 2.651 5.016 1.00 0.00 H HETATM 72 HE2 UVR A 4 11.334 2.096 5.184 1.00 0.00 H HETATM 73 CF UVR A 4 10.030 1.450 6.742 1.00 0.00 C HETATM 74 HF1 UVR A 4 10.285 2.287 7.372 1.00 0.00 H HETATM 75 HF2 UVR A 4 10.632 0.590 7.006 1.00 0.00 H HETATM 76 CX UVR A 4 8.568 1.121 6.924 1.00 0.00 C HETATM 77 OX UVR A 4 8.238 0.093 7.514 1.00 0.00 O HETATM 78 CY UVR A 4 7.510 2.052 6.379 1.00 0.00 C HETATM 79 HY1 UVR A 4 6.544 1.776 6.772 1.00 0.00 H HETATM 80 HY2 UVR A 4 7.502 2.003 5.300 1.00 0.00 H HETATM 81 CZ UVR A 4 7.809 3.474 6.803 1.00 0.00 C HETATM 82 HZ1 UVR A 4 8.113 3.607 7.831 1.00 0.00 H HETATM 83 HZ2 UVR A 4 7.070 4.228 6.581 1.00 0.00 H HETATM 84 HZ3 UVR A 4 8.771 3.863 6.503 1.00 0.00 H HETATM 85 C UVR A 4 9.711 -0.039 -0.105 1.00 0.00 C HETATM 86 O UVR A 4 10.253 -0.038 -1.210 1.00 0.00 O TER 87 UVR A 4 ENDMDL MODEL 31 ATOM 1 N TRP A 1 8.465 -0.475 0.094 1.00 0.00 N ATOM 2 CA TRP A 1 7.647 -0.987 -1.005 1.00 0.00 C ATOM 3 C TRP A 1 6.784 0.133 -1.573 1.00 0.00 C ATOM 4 O TRP A 1 7.161 0.767 -2.559 1.00 0.00 O ATOM 5 CB TRP A 1 6.762 -2.156 -0.544 1.00 0.00 C ATOM 6 CG TRP A 1 6.786 -2.398 0.937 1.00 0.00 C ATOM 7 CD1 TRP A 1 6.047 -1.753 1.886 1.00 0.00 C ATOM 8 CD2 TRP A 1 7.592 -3.354 1.635 1.00 0.00 C ATOM 9 NE1 TRP A 1 6.344 -2.249 3.132 1.00 0.00 N ATOM 10 CE2 TRP A 1 7.288 -3.233 3.005 1.00 0.00 C ATOM 11 CE3 TRP A 1 8.539 -4.302 1.236 1.00 0.00 C ATOM 12 CZ2 TRP A 1 7.900 -4.023 3.976 1.00 0.00 C ATOM 13 CZ3 TRP A 1 9.145 -5.085 2.202 1.00 0.00 C ATOM 14 CH2 TRP A 1 8.822 -4.941 3.557 1.00 0.00 C ATOM 15 H1 TRP A 1 8.040 -0.301 0.960 1.00 0.00 H ATOM 16 HA TRP A 1 8.315 -1.334 -1.778 1.00 0.00 H ATOM 17 HB2 TRP A 1 5.740 -1.957 -0.827 1.00 0.00 H ATOM 18 HB3 TRP A 1 7.093 -3.060 -1.035 1.00 0.00 H ATOM 19 HD1 TRP A 1 5.336 -0.967 1.674 1.00 0.00 H ATOM 20 HE1 TRP A 1 5.944 -1.947 3.975 1.00 0.00 H ATOM 21 HE3 TRP A 1 8.799 -4.426 0.196 1.00 0.00 H ATOM 22 HZ2 TRP A 1 7.662 -3.925 5.025 1.00 0.00 H ATOM 23 HZ3 TRP A 1 9.879 -5.821 1.912 1.00 0.00 H ATOM 24 HH2 TRP A 1 9.321 -5.575 4.276 1.00 0.00 H HETATM 25 O B3L A 2 7.244 4.520 -0.560 1.00 0.00 O HETATM 26 C B3L A 2 6.761 3.613 0.118 1.00 0.00 C HETATM 27 CA B3L A 2 5.352 3.144 -0.092 1.00 0.00 C HETATM 28 CB B3L A 2 5.216 1.868 -0.972 1.00 0.00 C HETATM 29 N B3L A 2 5.833 0.580 -0.761 1.00 0.00 N HETATM 30 CG B3L A 2 3.753 1.881 -0.500 1.00 0.00 C HETATM 31 CD B3L A 2 2.864 0.825 -1.159 1.00 0.00 C HETATM 32 CE2 B3L A 2 1.522 0.737 -0.447 1.00 0.00 C HETATM 33 CE1 B3L A 2 2.666 1.141 -2.634 1.00 0.00 C HETATM 34 HA B3L A 2 4.796 3.952 -0.546 1.00 0.00 H HETATM 35 HAA B3L A 2 4.942 2.930 0.883 1.00 0.00 H HETATM 36 HB B3L A 2 5.186 2.074 -2.011 1.00 0.00 H HETATM 37 HN B3L A 2 5.758 0.197 0.121 1.00 0.00 H HETATM 38 HG B3L A 2 3.324 2.852 -0.710 1.00 0.00 H HETATM 39 HGA B3L A 2 3.729 1.713 0.569 1.00 0.00 H HETATM 40 HD B3L A 2 3.345 -0.139 -1.084 1.00 0.00 H HETATM 41 H3E2 B3L A 2 1.625 0.124 0.437 1.00 0.00 H HETATM 42 H2E2 B3L A 2 0.792 0.296 -1.109 1.00 0.00 H HETATM 43 H1E2 B3L A 2 1.200 1.728 -0.163 1.00 0.00 H HETATM 44 H3E1 B3L A 2 3.465 1.783 -2.976 1.00 0.00 H HETATM 45 H2E1 B3L A 2 1.718 1.641 -2.772 1.00 0.00 H HETATM 46 H1E1 B3L A 2 2.674 0.222 -3.202 1.00 0.00 H ATOM 47 N ALA A 3 7.247 3.260 1.303 1.00 0.00 N ATOM 48 CA ALA A 3 8.441 3.866 1.838 1.00 0.00 C ATOM 49 C ALA A 3 9.643 2.986 1.514 1.00 0.00 C ATOM 50 O ALA A 3 10.642 3.458 0.971 1.00 0.00 O ATOM 51 CB ALA A 3 8.313 4.078 3.339 1.00 0.00 C ATOM 52 H ALA A 3 6.948 2.429 1.693 1.00 0.00 H ATOM 53 HA ALA A 3 8.558 4.818 1.366 1.00 0.00 H ATOM 54 HB1 ALA A 3 8.168 3.124 3.826 1.00 0.00 H ATOM 55 HB2 ALA A 3 7.467 4.718 3.542 1.00 0.00 H ATOM 56 HB3 ALA A 3 9.212 4.541 3.716 1.00 0.00 H HETATM 57 N UVR A 4 9.419 1.676 1.609 1.00 0.00 N HETATM 58 HN UVR A 4 8.537 1.371 1.901 1.00 0.00 H HETATM 59 CA UVR A 4 10.352 0.694 1.068 1.00 0.00 C HETATM 60 HA UVR A 4 11.227 1.221 0.718 1.00 0.00 H HETATM 61 CB UVR A 4 10.765 -0.303 2.153 1.00 0.00 C HETATM 62 HB1 UVR A 4 11.563 -0.921 1.771 1.00 0.00 H HETATM 63 HB2 UVR A 4 9.918 -0.929 2.392 1.00 0.00 H HETATM 64 CG UVR A 4 11.246 0.358 3.435 1.00 0.00 C HETATM 65 HG1 UVR A 4 11.816 1.239 3.182 1.00 0.00 H HETATM 66 HG2 UVR A 4 11.875 -0.337 3.971 1.00 0.00 H HETATM 67 CD UVR A 4 10.081 0.761 4.328 1.00 0.00 C HETATM 68 HD1 UVR A 4 9.158 0.443 3.865 1.00 0.00 H HETATM 69 HD2 UVR A 4 10.080 1.835 4.437 1.00 0.00 H HETATM 70 CE UVR A 4 10.187 0.127 5.706 1.00 0.00 C HETATM 71 HE1 UVR A 4 9.489 0.616 6.371 1.00 0.00 H HETATM 72 HE2 UVR A 4 11.193 0.259 6.077 1.00 0.00 H HETATM 73 CF UVR A 4 9.871 -1.359 5.662 1.00 0.00 C HETATM 74 HF1 UVR A 4 10.775 -1.911 5.458 1.00 0.00 H HETATM 75 HF2 UVR A 4 9.143 -1.544 4.883 1.00 0.00 H HETATM 76 CX UVR A 4 9.312 -1.799 6.993 1.00 0.00 C HETATM 77 OX UVR A 4 9.902 -2.651 7.656 1.00 0.00 O HETATM 78 CY UVR A 4 8.029 -1.193 7.511 1.00 0.00 C HETATM 79 HY1 UVR A 4 7.232 -1.917 7.451 1.00 0.00 H HETATM 80 HY2 UVR A 4 7.782 -0.315 6.929 1.00 0.00 H HETATM 81 CZ UVR A 4 8.201 -0.788 8.958 1.00 0.00 C HETATM 82 HZ1 UVR A 4 8.839 0.065 9.138 1.00 0.00 H HETATM 83 HZ2 UVR A 4 8.479 -1.556 9.664 1.00 0.00 H HETATM 84 HZ3 UVR A 4 7.386 -0.228 9.391 1.00 0.00 H HETATM 85 C UVR A 4 9.710 -0.043 -0.106 1.00 0.00 C HETATM 86 O UVR A 4 10.250 -0.051 -1.212 1.00 0.00 O TER 87 UVR A 4 ENDMDL MODEL 32 ATOM 1 N TRP A 1 8.427 -0.666 -0.022 1.00 0.00 N ATOM 2 CA TRP A 1 7.734 -1.061 -1.247 1.00 0.00 C ATOM 3 C TRP A 1 6.884 0.106 -1.734 1.00 0.00 C ATOM 4 O TRP A 1 7.313 0.850 -2.616 1.00 0.00 O ATOM 5 CB TRP A 1 6.855 -2.302 -1.022 1.00 0.00 C ATOM 6 CG TRP A 1 6.657 -2.663 0.422 1.00 0.00 C ATOM 7 CD1 TRP A 1 5.746 -2.125 1.285 1.00 0.00 C ATOM 8 CD2 TRP A 1 7.391 -3.640 1.169 1.00 0.00 C ATOM 9 NE1 TRP A 1 5.869 -2.708 2.523 1.00 0.00 N ATOM 10 CE2 TRP A 1 6.871 -3.642 2.477 1.00 0.00 C ATOM 11 CE3 TRP A 1 8.435 -4.515 0.857 1.00 0.00 C ATOM 12 CZ2 TRP A 1 7.361 -4.484 3.472 1.00 0.00 C ATOM 13 CZ3 TRP A 1 8.921 -5.351 1.846 1.00 0.00 C ATOM 14 CH2 TRP A 1 8.383 -5.331 3.139 1.00 0.00 C ATOM 15 H1 TRP A 1 7.917 -0.636 0.813 1.00 0.00 H ATOM 16 HA TRP A 1 8.481 -1.283 -1.995 1.00 0.00 H ATOM 17 HB2 TRP A 1 5.881 -2.127 -1.453 1.00 0.00 H ATOM 18 HB3 TRP A 1 7.311 -3.148 -1.516 1.00 0.00 H ATOM 19 HD1 TRP A 1 5.039 -1.352 1.021 1.00 0.00 H ATOM 20 HE1 TRP A 1 5.327 -2.492 3.310 1.00 0.00 H ATOM 21 HE3 TRP A 1 8.862 -4.546 -0.133 1.00 0.00 H ATOM 22 HZ2 TRP A 1 6.957 -4.482 4.473 1.00 0.00 H ATOM 23 HZ3 TRP A 1 9.728 -6.033 1.625 1.00 0.00 H ATOM 24 HH2 TRP A 1 8.794 -6.001 3.880 1.00 0.00 H HETATM 25 O B3L A 2 6.576 2.446 2.220 1.00 0.00 O HETATM 26 C B3L A 2 6.550 3.003 1.122 1.00 0.00 C HETATM 27 CA B3L A 2 5.318 2.854 0.278 1.00 0.00 C HETATM 28 CB B3L A 2 5.440 1.841 -0.893 1.00 0.00 C HETATM 29 N B3L A 2 5.942 0.491 -0.880 1.00 0.00 N HETATM 30 CG B3L A 2 3.906 1.883 -0.930 1.00 0.00 C HETATM 31 CD B3L A 2 3.276 1.031 -2.031 1.00 0.00 C HETATM 32 CE2 B3L A 2 1.763 1.188 -2.027 1.00 0.00 C HETATM 33 CE1 B3L A 2 3.849 1.403 -3.390 1.00 0.00 C HETATM 34 HA B3L A 2 5.061 3.825 -0.119 1.00 0.00 H HETATM 35 HAA B3L A 2 4.533 2.518 0.934 1.00 0.00 H HETATM 36 HB B3L A 2 5.766 2.313 -1.784 1.00 0.00 H HETATM 37 HN B3L A 2 5.849 0.009 -0.050 1.00 0.00 H HETATM 38 HG B3L A 2 3.589 2.906 -1.079 1.00 0.00 H HETATM 39 HGA B3L A 2 3.524 1.534 0.020 1.00 0.00 H HETATM 40 HD B3L A 2 3.503 -0.010 -1.844 1.00 0.00 H HETATM 41 H3E2 B3L A 2 1.331 0.502 -1.313 1.00 0.00 H HETATM 42 H2E2 B3L A 2 1.376 0.972 -3.012 1.00 0.00 H HETATM 43 H1E2 B3L A 2 1.507 2.201 -1.754 1.00 0.00 H HETATM 44 H3E1 B3L A 2 3.107 1.229 -4.154 1.00 0.00 H HETATM 45 H2E1 B3L A 2 4.721 0.798 -3.590 1.00 0.00 H HETATM 46 H1E1 B3L A 2 4.127 2.447 -3.389 1.00 0.00 H ATOM 47 N ALA A 3 7.519 3.845 0.771 1.00 0.00 N ATOM 48 CA ALA A 3 8.609 4.166 1.693 1.00 0.00 C ATOM 49 C ALA A 3 9.632 3.026 1.721 1.00 0.00 C ATOM 50 O ALA A 3 10.836 3.264 1.808 1.00 0.00 O ATOM 51 CB ALA A 3 8.081 4.454 3.095 1.00 0.00 C ATOM 52 H ALA A 3 7.679 3.982 -0.185 1.00 0.00 H ATOM 53 HA ALA A 3 9.097 5.059 1.327 1.00 0.00 H ATOM 54 HB1 ALA A 3 8.801 5.051 3.635 1.00 0.00 H ATOM 55 HB2 ALA A 3 7.921 3.523 3.618 1.00 0.00 H ATOM 56 HB3 ALA A 3 7.147 4.992 3.024 1.00 0.00 H HETATM 57 N UVR A 4 9.153 1.810 1.446 1.00 0.00 N HETATM 58 HN UVR A 4 8.201 1.710 1.265 1.00 0.00 H HETATM 59 CA UVR A 4 10.021 0.661 1.219 1.00 0.00 C HETATM 60 HA UVR A 4 11.035 1.019 1.117 1.00 0.00 H HETATM 61 CB UVR A 4 9.942 -0.308 2.399 1.00 0.00 C HETATM 62 HB1 UVR A 4 10.633 -1.121 2.230 1.00 0.00 H HETATM 63 HB2 UVR A 4 8.940 -0.704 2.455 1.00 0.00 H HETATM 64 CG UVR A 4 10.275 0.330 3.736 1.00 0.00 C HETATM 65 HG1 UVR A 4 10.984 1.128 3.577 1.00 0.00 H HETATM 66 HG2 UVR A 4 10.708 -0.417 4.384 1.00 0.00 H HETATM 67 CD UVR A 4 9.032 0.898 4.400 1.00 0.00 C HETATM 68 HD1 UVR A 4 8.167 0.352 4.050 1.00 0.00 H HETATM 69 HD2 UVR A 4 8.936 1.938 4.131 1.00 0.00 H HETATM 70 CE UVR A 4 9.108 0.786 5.915 1.00 0.00 C HETATM 71 HE1 UVR A 4 9.420 1.737 6.321 1.00 0.00 H HETATM 72 HE2 UVR A 4 9.830 0.027 6.174 1.00 0.00 H HETATM 73 CF UVR A 4 7.762 0.410 6.514 1.00 0.00 C HETATM 74 HF1 UVR A 4 7.873 0.268 7.578 1.00 0.00 H HETATM 75 HF2 UVR A 4 7.411 -0.504 6.053 1.00 0.00 H HETATM 76 CX UVR A 4 6.768 1.518 6.265 1.00 0.00 C HETATM 77 OX UVR A 4 7.123 2.693 6.348 1.00 0.00 O HETATM 78 CY UVR A 4 5.338 1.185 5.911 1.00 0.00 C HETATM 79 HY1 UVR A 4 4.829 2.072 5.571 1.00 0.00 H HETATM 80 HY2 UVR A 4 4.836 0.775 6.778 1.00 0.00 H HETATM 81 CZ UVR A 4 5.310 0.161 4.798 1.00 0.00 C HETATM 82 HZ1 UVR A 4 6.082 0.255 4.050 1.00 0.00 H HETATM 83 HZ2 UVR A 4 4.374 0.007 4.282 1.00 0.00 H HETATM 84 HZ3 UVR A 4 5.711 -0.813 5.041 1.00 0.00 H HETATM 85 C UVR A 4 9.607 -0.049 -0.068 1.00 0.00 C HETATM 86 O UVR A 4 10.185 0.195 -1.127 1.00 0.00 O TER 87 UVR A 4 ENDMDL MODEL 33 ATOM 1 N TRP A 1 8.413 -0.665 -0.062 1.00 0.00 N ATOM 2 CA TRP A 1 7.768 -1.078 -1.303 1.00 0.00 C ATOM 3 C TRP A 1 6.829 0.033 -1.770 1.00 0.00 C ATOM 4 O TRP A 1 7.115 0.697 -2.767 1.00 0.00 O ATOM 5 CB TRP A 1 7.021 -2.410 -1.105 1.00 0.00 C ATOM 6 CG TRP A 1 5.523 -2.312 -1.172 1.00 0.00 C ATOM 7 CD1 TRP A 1 4.681 -1.901 -0.179 1.00 0.00 C ATOM 8 CD2 TRP A 1 4.692 -2.644 -2.291 1.00 0.00 C ATOM 9 NE1 TRP A 1 3.379 -1.951 -0.613 1.00 0.00 N ATOM 10 CE2 TRP A 1 3.359 -2.404 -1.907 1.00 0.00 C ATOM 11 CE3 TRP A 1 4.946 -3.116 -3.582 1.00 0.00 C ATOM 12 CZ2 TRP A 1 2.285 -2.622 -2.766 1.00 0.00 C ATOM 13 CZ3 TRP A 1 3.879 -3.332 -4.433 1.00 0.00 C ATOM 14 CH2 TRP A 1 2.563 -3.085 -4.023 1.00 0.00 C ATOM 15 H1 TRP A 1 7.885 -0.667 0.763 1.00 0.00 H ATOM 16 HA TRP A 1 8.540 -1.213 -2.048 1.00 0.00 H ATOM 17 HB2 TRP A 1 7.337 -3.103 -1.870 1.00 0.00 H ATOM 18 HB3 TRP A 1 7.283 -2.815 -0.137 1.00 0.00 H ATOM 19 HD1 TRP A 1 5.007 -1.582 0.800 1.00 0.00 H ATOM 20 HE1 TRP A 1 2.592 -1.703 -0.084 1.00 0.00 H ATOM 21 HE3 TRP A 1 5.954 -3.312 -3.917 1.00 0.00 H ATOM 22 HZ2 TRP A 1 1.265 -2.436 -2.465 1.00 0.00 H ATOM 23 HZ3 TRP A 1 4.056 -3.698 -5.434 1.00 0.00 H ATOM 24 HH2 TRP A 1 1.760 -3.269 -4.722 1.00 0.00 H HETATM 25 O B3L A 2 6.559 2.503 2.239 1.00 0.00 O HETATM 26 C B3L A 2 6.547 3.042 1.132 1.00 0.00 C HETATM 27 CA B3L A 2 5.334 2.866 0.268 1.00 0.00 C HETATM 28 CB B3L A 2 5.490 1.831 -0.879 1.00 0.00 C HETATM 29 N B3L A 2 6.012 0.490 -0.826 1.00 0.00 N HETATM 30 CG B3L A 2 3.956 1.852 -0.943 1.00 0.00 C HETATM 31 CD B3L A 2 3.358 1.036 -2.090 1.00 0.00 C HETATM 32 CE2 B3L A 2 1.848 0.933 -1.941 1.00 0.00 C HETATM 33 CE1 B3L A 2 3.724 1.654 -3.431 1.00 0.00 C HETATM 34 HA B3L A 2 5.076 3.826 -0.152 1.00 0.00 H HETATM 35 HAA B3L A 2 4.539 2.534 0.916 1.00 0.00 H HETATM 36 HB B3L A 2 5.826 2.291 -1.773 1.00 0.00 H HETATM 37 HN B3L A 2 6.048 0.083 0.049 1.00 0.00 H HETATM 38 HG B3L A 2 3.623 2.876 -1.055 1.00 0.00 H HETATM 39 HGA B3L A 2 3.562 1.457 -0.016 1.00 0.00 H HETATM 40 HD B3L A 2 3.766 0.036 -2.060 1.00 0.00 H HETATM 41 H3E2 B3L A 2 1.423 1.924 -1.887 1.00 0.00 H HETATM 42 H2E2 B3L A 2 1.612 0.391 -1.038 1.00 0.00 H HETATM 43 H1E2 B3L A 2 1.438 0.412 -2.793 1.00 0.00 H HETATM 44 H3E1 B3L A 2 4.581 2.300 -3.310 1.00 0.00 H HETATM 45 H2E1 B3L A 2 2.889 2.232 -3.802 1.00 0.00 H HETATM 46 H1E1 B3L A 2 3.960 0.871 -4.136 1.00 0.00 H ATOM 47 N ALA A 3 7.524 3.872 0.779 1.00 0.00 N ATOM 48 CA ALA A 3 8.616 4.180 1.703 1.00 0.00 C ATOM 49 C ALA A 3 9.627 3.030 1.718 1.00 0.00 C ATOM 50 O ALA A 3 10.835 3.255 1.788 1.00 0.00 O ATOM 51 CB ALA A 3 8.093 4.460 3.107 1.00 0.00 C ATOM 52 H ALA A 3 7.696 3.988 -0.177 1.00 0.00 H ATOM 53 HA ALA A 3 9.112 5.071 1.343 1.00 0.00 H ATOM 54 HB1 ALA A 3 8.043 3.536 3.664 1.00 0.00 H ATOM 55 HB2 ALA A 3 7.105 4.894 3.043 1.00 0.00 H ATOM 56 HB3 ALA A 3 8.757 5.149 3.609 1.00 0.00 H HETATM 57 N UVR A 4 9.128 1.818 1.463 1.00 0.00 N HETATM 58 HN UVR A 4 8.171 1.725 1.308 1.00 0.00 H HETATM 59 CA UVR A 4 9.977 0.654 1.242 1.00 0.00 C HETATM 60 HA UVR A 4 11.001 0.992 1.175 1.00 0.00 H HETATM 61 CB UVR A 4 9.843 -0.324 2.407 1.00 0.00 C HETATM 62 HB1 UVR A 4 10.613 -1.076 2.325 1.00 0.00 H HETATM 63 HB2 UVR A 4 8.876 -0.799 2.348 1.00 0.00 H HETATM 64 CG UVR A 4 9.962 0.336 3.771 1.00 0.00 C HETATM 65 HG1 UVR A 4 10.678 1.142 3.708 1.00 0.00 H HETATM 66 HG2 UVR A 4 10.303 -0.397 4.486 1.00 0.00 H HETATM 67 CD UVR A 4 8.626 0.896 4.233 1.00 0.00 C HETATM 68 HD1 UVR A 4 7.930 0.869 3.405 1.00 0.00 H HETATM 69 HD2 UVR A 4 8.768 1.917 4.553 1.00 0.00 H HETATM 70 CE UVR A 4 8.052 0.092 5.388 1.00 0.00 C HETATM 71 HE1 UVR A 4 8.759 0.097 6.205 1.00 0.00 H HETATM 72 HE2 UVR A 4 7.887 -0.924 5.060 1.00 0.00 H HETATM 73 CF UVR A 4 6.733 0.675 5.871 1.00 0.00 C HETATM 74 HF1 UVR A 4 5.967 0.476 5.138 1.00 0.00 H HETATM 75 HF2 UVR A 4 6.846 1.741 6.007 1.00 0.00 H HETATM 76 CX UVR A 4 6.343 0.033 7.180 1.00 0.00 C HETATM 77 OX UVR A 4 7.211 -0.388 7.943 1.00 0.00 O HETATM 78 CY UVR A 4 4.885 -0.091 7.555 1.00 0.00 C HETATM 79 HY1 UVR A 4 4.794 -0.573 8.517 1.00 0.00 H HETATM 80 HY2 UVR A 4 4.363 -0.663 6.800 1.00 0.00 H HETATM 81 CZ UVR A 4 4.259 1.283 7.647 1.00 0.00 C HETATM 82 HZ1 UVR A 4 4.594 2.005 6.917 1.00 0.00 H HETATM 83 HZ2 UVR A 4 4.261 1.771 8.610 1.00 0.00 H HETATM 84 HZ3 UVR A 4 3.265 1.379 7.236 1.00 0.00 H HETATM 85 C UVR A 4 9.587 -0.032 -0.068 1.00 0.00 C HETATM 86 O UVR A 4 10.198 0.219 -1.107 1.00 0.00 O TER 87 UVR A 4 ENDMDL MODEL 34 ATOM 1 N TRP A 1 8.466 -0.463 0.070 1.00 0.00 N ATOM 2 CA TRP A 1 7.681 -0.952 -1.064 1.00 0.00 C ATOM 3 C TRP A 1 6.780 0.159 -1.592 1.00 0.00 C ATOM 4 O TRP A 1 7.118 0.813 -2.579 1.00 0.00 O ATOM 5 CB TRP A 1 6.839 -2.176 -0.671 1.00 0.00 C ATOM 6 CG TRP A 1 6.762 -2.417 0.808 1.00 0.00 C ATOM 7 CD1 TRP A 1 5.860 -1.880 1.681 1.00 0.00 C ATOM 8 CD2 TRP A 1 7.625 -3.255 1.586 1.00 0.00 C ATOM 9 NE1 TRP A 1 6.108 -2.334 2.953 1.00 0.00 N ATOM 10 CE2 TRP A 1 7.186 -3.178 2.922 1.00 0.00 C ATOM 11 CE3 TRP A 1 8.724 -4.063 1.282 1.00 0.00 C ATOM 12 CZ2 TRP A 1 7.810 -3.879 3.950 1.00 0.00 C ATOM 13 CZ3 TRP A 1 9.342 -4.759 2.305 1.00 0.00 C ATOM 14 CH2 TRP A 1 8.884 -4.663 3.626 1.00 0.00 C ATOM 15 H1 TRP A 1 8.013 -0.308 0.926 1.00 0.00 H ATOM 16 HA TRP A 1 8.370 -1.234 -1.843 1.00 0.00 H ATOM 17 HB2 TRP A 1 5.831 -2.043 -1.036 1.00 0.00 H ATOM 18 HB3 TRP A 1 7.266 -3.056 -1.131 1.00 0.00 H ATOM 19 HD1 TRP A 1 5.071 -1.200 1.397 1.00 0.00 H ATOM 20 HE1 TRP A 1 5.597 -2.092 3.754 1.00 0.00 H ATOM 21 HE3 TRP A 1 9.091 -4.149 0.271 1.00 0.00 H ATOM 22 HZ2 TRP A 1 7.469 -3.817 4.974 1.00 0.00 H ATOM 23 HZ3 TRP A 1 10.193 -5.387 2.089 1.00 0.00 H ATOM 24 HH2 TRP A 1 9.398 -5.223 4.392 1.00 0.00 H HETATM 25 O B3L A 2 7.160 4.548 -0.552 1.00 0.00 O HETATM 26 C B3L A 2 6.721 3.621 0.128 1.00 0.00 C HETATM 27 CA B3L A 2 5.319 3.121 -0.044 1.00 0.00 C HETATM 28 CB B3L A 2 5.188 1.850 -0.933 1.00 0.00 C HETATM 29 N B3L A 2 5.839 0.575 -0.751 1.00 0.00 N HETATM 30 CG B3L A 2 3.737 1.826 -0.423 1.00 0.00 C HETATM 31 CD B3L A 2 2.856 0.763 -1.080 1.00 0.00 C HETATM 32 CE2 B3L A 2 1.475 0.742 -0.442 1.00 0.00 C HETATM 33 CE1 B3L A 2 2.750 1.011 -2.578 1.00 0.00 C HETATM 34 HA B3L A 2 4.729 3.919 -0.471 1.00 0.00 H HETATM 35 HAA B3L A 2 4.944 2.886 0.942 1.00 0.00 H HETATM 36 HB B3L A 2 5.125 2.065 -1.968 1.00 0.00 H HETATM 37 HN B3L A 2 5.795 0.179 0.126 1.00 0.00 H HETATM 38 HG B3L A 2 3.283 2.791 -0.606 1.00 0.00 H HETATM 39 HGA B3L A 2 3.744 1.639 0.642 1.00 0.00 H HETATM 40 HD B3L A 2 3.306 -0.209 -0.933 1.00 0.00 H HETATM 41 H3E2 B3L A 2 0.791 1.317 -1.047 1.00 0.00 H HETATM 42 H2E2 B3L A 2 1.529 1.172 0.548 1.00 0.00 H HETATM 43 H1E2 B3L A 2 1.126 -0.277 -0.373 1.00 0.00 H HETATM 44 H3E1 B3L A 2 1.768 0.720 -2.922 1.00 0.00 H HETATM 45 H2E1 B3L A 2 3.499 0.428 -3.093 1.00 0.00 H HETATM 46 H1E1 B3L A 2 2.907 2.060 -2.780 1.00 0.00 H ATOM 47 N ALA A 3 7.257 3.260 1.287 1.00 0.00 N ATOM 48 CA ALA A 3 8.463 3.877 1.786 1.00 0.00 C ATOM 49 C ALA A 3 9.652 2.969 1.493 1.00 0.00 C ATOM 50 O ALA A 3 10.654 3.406 0.925 1.00 0.00 O ATOM 51 CB ALA A 3 8.348 4.162 3.277 1.00 0.00 C ATOM 52 H ALA A 3 6.991 2.415 1.673 1.00 0.00 H ATOM 53 HA ALA A 3 8.587 4.802 1.268 1.00 0.00 H ATOM 54 HB1 ALA A 3 9.057 3.553 3.817 1.00 0.00 H ATOM 55 HB2 ALA A 3 7.347 3.931 3.611 1.00 0.00 H ATOM 56 HB3 ALA A 3 8.556 5.205 3.461 1.00 0.00 H HETATM 57 N UVR A 4 9.415 1.667 1.641 1.00 0.00 N HETATM 58 HN UVR A 4 8.534 1.382 1.955 1.00 0.00 H HETATM 59 CA UVR A 4 10.333 0.654 1.139 1.00 0.00 C HETATM 60 HA UVR A 4 11.247 1.146 0.839 1.00 0.00 H HETATM 61 CB UVR A 4 10.646 -0.372 2.230 1.00 0.00 C HETATM 62 HB1 UVR A 4 11.539 -0.913 1.956 1.00 0.00 H HETATM 63 HB2 UVR A 4 9.822 -1.066 2.299 1.00 0.00 H HETATM 64 CG UVR A 4 10.864 0.243 3.603 1.00 0.00 C HETATM 65 HG1 UVR A 4 11.437 1.152 3.493 1.00 0.00 H HETATM 66 HG2 UVR A 4 11.409 -0.457 4.219 1.00 0.00 H HETATM 67 CD UVR A 4 9.542 0.570 4.281 1.00 0.00 C HETATM 68 HD1 UVR A 4 8.805 -0.161 3.984 1.00 0.00 H HETATM 69 HD2 UVR A 4 9.222 1.552 3.968 1.00 0.00 H HETATM 70 CE UVR A 4 9.671 0.554 5.797 1.00 0.00 C HETATM 71 HE1 UVR A 4 10.602 1.026 6.075 1.00 0.00 H HETATM 72 HE2 UVR A 4 9.667 -0.469 6.138 1.00 0.00 H HETATM 73 CF UVR A 4 8.521 1.299 6.460 1.00 0.00 C HETATM 74 HF1 UVR A 4 7.603 1.070 5.942 1.00 0.00 H HETATM 75 HF2 UVR A 4 8.715 2.363 6.415 1.00 0.00 H HETATM 76 CX UVR A 4 8.400 0.867 7.901 1.00 0.00 C HETATM 77 OX UVR A 4 9.313 1.097 8.691 1.00 0.00 O HETATM 78 CY UVR A 4 7.155 0.152 8.372 1.00 0.00 C HETATM 79 HY1 UVR A 4 7.392 -0.473 9.219 1.00 0.00 H HETATM 80 HY2 UVR A 4 6.754 -0.448 7.567 1.00 0.00 H HETATM 81 CZ UVR A 4 6.113 1.161 8.798 1.00 0.00 C HETATM 82 HZ1 UVR A 4 5.184 0.754 9.169 1.00 0.00 H HETATM 83 HZ2 UVR A 4 5.867 1.951 8.104 1.00 0.00 H HETATM 84 HZ3 UVR A 4 6.262 1.614 9.767 1.00 0.00 H HETATM 85 C UVR A 4 9.722 -0.044 -0.076 1.00 0.00 C HETATM 86 O UVR A 4 10.303 -0.041 -1.161 1.00 0.00 O TER 87 UVR A 4 ENDMDL MODEL 35 ATOM 1 N TRP A 1 8.439 -0.522 0.009 1.00 0.00 N ATOM 2 CA TRP A 1 7.697 -1.078 -1.122 1.00 0.00 C ATOM 3 C TRP A 1 6.658 -0.071 -1.620 1.00 0.00 C ATOM 4 O TRP A 1 6.681 0.311 -2.791 1.00 0.00 O ATOM 5 CB TRP A 1 7.042 -2.416 -0.737 1.00 0.00 C ATOM 6 CG TRP A 1 5.635 -2.305 -0.218 1.00 0.00 C ATOM 7 CD1 TRP A 1 5.218 -1.633 0.895 1.00 0.00 C ATOM 8 CD2 TRP A 1 4.464 -2.899 -0.791 1.00 0.00 C ATOM 9 NE1 TRP A 1 3.859 -1.767 1.045 1.00 0.00 N ATOM 10 CE2 TRP A 1 3.374 -2.540 0.024 1.00 0.00 C ATOM 11 CE3 TRP A 1 4.232 -3.697 -1.915 1.00 0.00 C ATOM 12 CZ2 TRP A 1 2.072 -2.954 -0.249 1.00 0.00 C ATOM 13 CZ3 TRP A 1 2.939 -4.106 -2.185 1.00 0.00 C ATOM 14 CH2 TRP A 1 1.874 -3.733 -1.356 1.00 0.00 C ATOM 15 H1 TRP A 1 7.994 -0.445 0.879 1.00 0.00 H ATOM 16 HA TRP A 1 8.406 -1.255 -1.917 1.00 0.00 H ATOM 17 HB2 TRP A 1 7.020 -3.055 -1.605 1.00 0.00 H ATOM 18 HB3 TRP A 1 7.641 -2.887 0.029 1.00 0.00 H ATOM 19 HD1 TRP A 1 5.871 -1.076 1.549 1.00 0.00 H ATOM 20 HE1 TRP A 1 3.325 -1.374 1.767 1.00 0.00 H ATOM 21 HE3 TRP A 1 5.040 -3.993 -2.567 1.00 0.00 H ATOM 22 HZ2 TRP A 1 1.240 -2.674 0.380 1.00 0.00 H ATOM 23 HZ3 TRP A 1 2.740 -4.723 -3.049 1.00 0.00 H ATOM 24 HH2 TRP A 1 0.881 -4.076 -1.605 1.00 0.00 H HETATM 25 O B3L A 2 7.328 4.535 -0.562 1.00 0.00 O HETATM 26 C B3L A 2 6.804 3.670 0.140 1.00 0.00 C HETATM 27 CA B3L A 2 5.418 3.171 -0.125 1.00 0.00 C HETATM 28 CB B3L A 2 5.352 1.848 -0.941 1.00 0.00 C HETATM 29 N B3L A 2 6.018 0.598 -0.667 1.00 0.00 N HETATM 30 CG B3L A 2 3.878 1.821 -0.508 1.00 0.00 C HETATM 31 CD B3L A 2 3.049 0.710 -1.154 1.00 0.00 C HETATM 32 CE2 B3L A 2 1.609 0.770 -0.670 1.00 0.00 C HETATM 33 CE1 B3L A 2 3.110 0.815 -2.670 1.00 0.00 C HETATM 34 HA B3L A 2 4.878 3.945 -0.653 1.00 0.00 H HETATM 35 HAA B3L A 2 4.955 3.003 0.834 1.00 0.00 H HETATM 36 HB B3L A 2 5.345 2.014 -1.989 1.00 0.00 H HETATM 37 HN B3L A 2 6.251 0.425 0.254 1.00 0.00 H HETATM 38 HG B3L A 2 3.418 2.766 -0.759 1.00 0.00 H HETATM 39 HGA B3L A 2 3.834 1.685 0.565 1.00 0.00 H HETATM 40 HD B3L A 2 3.459 -0.247 -0.866 1.00 0.00 H HETATM 41 H3E2 B3L A 2 1.052 1.466 -1.281 1.00 0.00 H HETATM 42 H2E2 B3L A 2 1.589 1.099 0.359 1.00 0.00 H HETATM 43 H1E2 B3L A 2 1.164 -0.210 -0.745 1.00 0.00 H HETATM 44 H3E1 B3L A 2 3.936 0.226 -3.039 1.00 0.00 H HETATM 45 H2E1 B3L A 2 3.247 1.847 -2.955 1.00 0.00 H HETATM 46 H1E1 B3L A 2 2.187 0.445 -3.094 1.00 0.00 H ATOM 47 N ALA A 3 7.240 3.364 1.355 1.00 0.00 N ATOM 48 CA ALA A 3 8.453 3.939 1.882 1.00 0.00 C ATOM 49 C ALA A 3 9.623 3.010 1.576 1.00 0.00 C ATOM 50 O ALA A 3 10.685 3.455 1.139 1.00 0.00 O ATOM 51 CB ALA A 3 8.329 4.182 3.380 1.00 0.00 C ATOM 52 H ALA A 3 6.914 2.554 1.767 1.00 0.00 H ATOM 53 HA ALA A 3 8.603 4.877 1.392 1.00 0.00 H ATOM 54 HB1 ALA A 3 7.640 4.995 3.557 1.00 0.00 H ATOM 55 HB2 ALA A 3 9.297 4.437 3.784 1.00 0.00 H ATOM 56 HB3 ALA A 3 7.962 3.287 3.860 1.00 0.00 H HETATM 57 N UVR A 4 9.329 1.708 1.585 1.00 0.00 N HETATM 58 HN UVR A 4 8.419 1.433 1.817 1.00 0.00 H HETATM 59 CA UVR A 4 10.251 0.702 1.077 1.00 0.00 C HETATM 60 HA UVR A 4 11.162 1.201 0.785 1.00 0.00 H HETATM 61 CB UVR A 4 10.571 -0.327 2.163 1.00 0.00 C HETATM 62 HB1 UVR A 4 11.399 -0.937 1.833 1.00 0.00 H HETATM 63 HB2 UVR A 4 9.707 -0.959 2.309 1.00 0.00 H HETATM 64 CG UVR A 4 10.940 0.293 3.501 1.00 0.00 C HETATM 65 HG1 UVR A 4 11.517 1.189 3.323 1.00 0.00 H HETATM 66 HG2 UVR A 4 11.530 -0.413 4.063 1.00 0.00 H HETATM 67 CD UVR A 4 9.701 0.655 4.307 1.00 0.00 C HETATM 68 HD1 UVR A 4 8.855 0.113 3.911 1.00 0.00 H HETATM 69 HD2 UVR A 4 9.525 1.716 4.220 1.00 0.00 H HETATM 70 CE UVR A 4 9.871 0.303 5.776 1.00 0.00 C HETATM 71 HE1 UVR A 4 10.812 0.704 6.126 1.00 0.00 H HETATM 72 HE2 UVR A 4 9.875 -0.771 5.881 1.00 0.00 H HETATM 73 CF UVR A 4 8.744 0.877 6.620 1.00 0.00 C HETATM 74 HF1 UVR A 4 7.916 0.186 6.626 1.00 0.00 H HETATM 75 HF2 UVR A 4 8.433 1.823 6.200 1.00 0.00 H HETATM 76 CX UVR A 4 9.225 1.084 8.036 1.00 0.00 C HETATM 77 OX UVR A 4 10.330 1.583 8.243 1.00 0.00 O HETATM 78 CY UVR A 4 8.349 0.680 9.198 1.00 0.00 C HETATM 79 HY1 UVR A 4 7.328 0.573 8.866 1.00 0.00 H HETATM 80 HY2 UVR A 4 8.412 1.427 9.978 1.00 0.00 H HETATM 81 CZ UVR A 4 8.815 -0.648 9.753 1.00 0.00 C HETATM 82 HZ1 UVR A 4 9.649 -0.607 10.438 1.00 0.00 H HETATM 83 HZ2 UVR A 4 9.009 -1.444 9.051 1.00 0.00 H HETATM 84 HZ3 UVR A 4 8.220 -1.060 10.555 1.00 0.00 H HETATM 85 C UVR A 4 9.655 0.005 -0.146 1.00 0.00 C HETATM 86 O UVR A 4 10.225 0.053 -1.236 1.00 0.00 O TER 87 UVR A 4 ENDMDL MODEL 36 ATOM 1 N TRP A 1 8.448 -0.503 0.021 1.00 0.00 N ATOM 2 CA TRP A 1 7.700 -1.032 -1.120 1.00 0.00 C ATOM 3 C TRP A 1 6.699 0.004 -1.624 1.00 0.00 C ATOM 4 O TRP A 1 6.814 0.475 -2.756 1.00 0.00 O ATOM 5 CB TRP A 1 6.976 -2.334 -0.754 1.00 0.00 C ATOM 6 CG TRP A 1 6.625 -2.452 0.700 1.00 0.00 C ATOM 7 CD1 TRP A 1 5.684 -1.732 1.376 1.00 0.00 C ATOM 8 CD2 TRP A 1 7.210 -3.346 1.654 1.00 0.00 C ATOM 9 NE1 TRP A 1 5.649 -2.121 2.693 1.00 0.00 N ATOM 10 CE2 TRP A 1 6.576 -3.111 2.889 1.00 0.00 C ATOM 11 CE3 TRP A 1 8.209 -4.321 1.584 1.00 0.00 C ATOM 12 CZ2 TRP A 1 6.907 -3.817 4.042 1.00 0.00 C ATOM 13 CZ3 TRP A 1 8.537 -5.022 2.729 1.00 0.00 C ATOM 14 CH2 TRP A 1 7.888 -4.766 3.945 1.00 0.00 C ATOM 15 H1 TRP A 1 7.992 -0.404 0.883 1.00 0.00 H ATOM 16 HA TRP A 1 8.409 -1.235 -1.909 1.00 0.00 H ATOM 17 HB2 TRP A 1 6.059 -2.397 -1.321 1.00 0.00 H ATOM 18 HB3 TRP A 1 7.608 -3.172 -1.012 1.00 0.00 H ATOM 19 HD1 TRP A 1 5.066 -0.967 0.927 1.00 0.00 H ATOM 20 HE1 TRP A 1 5.056 -1.751 3.381 1.00 0.00 H ATOM 21 HE3 TRP A 1 8.719 -4.532 0.656 1.00 0.00 H ATOM 22 HZ2 TRP A 1 6.416 -3.633 4.986 1.00 0.00 H ATOM 23 HZ3 TRP A 1 9.305 -5.779 2.694 1.00 0.00 H ATOM 24 HH2 TRP A 1 8.177 -5.337 4.814 1.00 0.00 H HETATM 25 O B3L A 2 7.253 4.551 -0.556 1.00 0.00 O HETATM 26 C B3L A 2 6.765 3.661 0.142 1.00 0.00 C HETATM 27 CA B3L A 2 5.376 3.151 -0.090 1.00 0.00 C HETATM 28 CB B3L A 2 5.300 1.847 -0.931 1.00 0.00 C HETATM 29 N B3L A 2 5.965 0.590 -0.682 1.00 0.00 N HETATM 30 CG B3L A 2 3.819 1.834 -0.504 1.00 0.00 C HETATM 31 CD B3L A 2 3.370 0.581 0.233 1.00 0.00 C HETATM 32 CE2 B3L A 2 2.046 0.819 0.940 1.00 0.00 C HETATM 33 CE1 B3L A 2 3.264 -0.591 -0.731 1.00 0.00 C HETATM 34 HA B3L A 2 4.810 3.929 -0.581 1.00 0.00 H HETATM 35 HAA B3L A 2 4.950 2.954 0.884 1.00 0.00 H HETATM 36 HB B3L A 2 5.290 2.025 -1.970 1.00 0.00 H HETATM 37 HN B3L A 2 6.130 0.360 0.238 1.00 0.00 H HETATM 38 HG B3L A 2 3.218 1.923 -1.393 1.00 0.00 H HETATM 39 HGA B3L A 2 3.613 2.679 0.129 1.00 0.00 H HETATM 40 HD B3L A 2 4.109 0.341 0.975 1.00 0.00 H HETATM 41 H3E2 B3L A 2 1.503 -0.112 1.013 1.00 0.00 H HETATM 42 H2E2 B3L A 2 1.461 1.534 0.379 1.00 0.00 H HETATM 43 H1E2 B3L A 2 2.232 1.206 1.932 1.00 0.00 H HETATM 44 H3E1 B3L A 2 3.937 -0.435 -1.561 1.00 0.00 H HETATM 45 H2E1 B3L A 2 2.251 -0.666 -1.097 1.00 0.00 H HETATM 46 H1E1 B3L A 2 3.530 -1.504 -0.218 1.00 0.00 H ATOM 47 N ALA A 3 7.246 3.334 1.335 1.00 0.00 N ATOM 48 CA ALA A 3 8.461 3.923 1.841 1.00 0.00 C ATOM 49 C ALA A 3 9.633 2.995 1.537 1.00 0.00 C ATOM 50 O ALA A 3 10.675 3.431 1.050 1.00 0.00 O ATOM 51 CB ALA A 3 8.352 4.188 3.335 1.00 0.00 C ATOM 52 H ALA A 3 6.948 2.508 1.737 1.00 0.00 H ATOM 53 HA ALA A 3 8.603 4.854 1.335 1.00 0.00 H ATOM 54 HB1 ALA A 3 9.315 4.037 3.799 1.00 0.00 H ATOM 55 HB2 ALA A 3 7.633 3.510 3.769 1.00 0.00 H ATOM 56 HB3 ALA A 3 8.029 5.206 3.498 1.00 0.00 H HETATM 57 N UVR A 4 9.353 1.693 1.609 1.00 0.00 N HETATM 58 HN UVR A 4 8.455 1.418 1.885 1.00 0.00 H HETATM 59 CA UVR A 4 10.269 0.673 1.116 1.00 0.00 C HETATM 60 HA UVR A 4 11.195 1.157 0.843 1.00 0.00 H HETATM 61 CB UVR A 4 10.545 -0.365 2.206 1.00 0.00 C HETATM 62 HB1 UVR A 4 11.432 -0.920 1.942 1.00 0.00 H HETATM 63 HB2 UVR A 4 9.707 -1.044 2.259 1.00 0.00 H HETATM 64 CG UVR A 4 10.752 0.240 3.586 1.00 0.00 C HETATM 65 HG1 UVR A 4 11.361 1.127 3.493 1.00 0.00 H HETATM 66 HG2 UVR A 4 11.257 -0.481 4.212 1.00 0.00 H HETATM 67 CD UVR A 4 9.429 0.614 4.235 1.00 0.00 C HETATM 68 HD1 UVR A 4 8.648 -0.007 3.819 1.00 0.00 H HETATM 69 HD2 UVR A 4 9.217 1.651 4.022 1.00 0.00 H HETATM 70 CE UVR A 4 9.469 0.418 5.743 1.00 0.00 C HETATM 71 HE1 UVR A 4 9.176 1.341 6.222 1.00 0.00 H HETATM 72 HE2 UVR A 4 10.475 0.162 6.037 1.00 0.00 H HETATM 73 CF UVR A 4 8.528 -0.690 6.188 1.00 0.00 C HETATM 74 HF1 UVR A 4 8.811 -1.022 7.176 1.00 0.00 H HETATM 75 HF2 UVR A 4 8.593 -1.513 5.489 1.00 0.00 H HETATM 76 CX UVR A 4 7.113 -0.168 6.228 1.00 0.00 C HETATM 77 OX UVR A 4 6.246 -0.689 5.528 1.00 0.00 O HETATM 78 CY UVR A 4 6.760 0.993 7.128 1.00 0.00 C HETATM 79 HY1 UVR A 4 5.689 1.117 7.162 1.00 0.00 H HETATM 80 HY2 UVR A 4 7.229 1.895 6.758 1.00 0.00 H HETATM 81 CZ UVR A 4 7.256 0.724 8.531 1.00 0.00 C HETATM 82 HZ1 UVR A 4 6.504 0.436 9.251 1.00 0.00 H HETATM 83 HZ2 UVR A 4 7.880 1.473 8.995 1.00 0.00 H HETATM 84 HZ3 UVR A 4 7.727 -0.235 8.690 1.00 0.00 H HETATM 85 C UVR A 4 9.680 -0.012 -0.117 1.00 0.00 C HETATM 86 O UVR A 4 10.266 0.030 -1.198 1.00 0.00 O TER 87 UVR A 4 ENDMDL CONECT 1 85 CONECT 3 29 CONECT 25 26 CONECT 26 25 27 47 CONECT 27 26 28 34 35 CONECT 28 27 29 30 36 CONECT 29 3 28 37 CONECT 30 28 31 38 39 CONECT 31 30 32 33 40 CONECT 32 31 41 42 43 CONECT 33 31 44 45 46 CONECT 34 27 CONECT 35 27 CONECT 36 28 CONECT 37 29 CONECT 38 30 CONECT 39 30 CONECT 40 31 CONECT 41 32 CONECT 42 32 CONECT 43 32 CONECT 44 33 CONECT 45 33 CONECT 46 33 CONECT 47 26 CONECT 49 57 CONECT 57 49 CONECT 85 1 MASTER 270 0 2 0 0 0 0 6 41 1 28 1 END