HEADER HYDROLASE INHIBITOR 13-JAN-09 SMS20065 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-LEU-BALA-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 39 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 SMS20065. 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-LEU-BALA-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 : 39 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: 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 LEU A 2 -70.68 -75.53 REMARK 500 2 LEU A 2 -70.98 -75.81 REMARK 500 3 LEU A 2 -70.85 -75.26 REMARK 500 5 LEU A 2 -70.57 -75.71 REMARK 500 6 LEU A 2 -70.60 -75.33 REMARK 500 7 LEU A 2 -71.19 -75.60 REMARK 500 8 LEU A 2 -70.21 -74.86 REMARK 500 9 LEU A 2 -70.90 -74.41 REMARK 500 10 LEU A 2 -70.92 -75.39 REMARK 500 11 LEU A 2 -71.41 -75.58 REMARK 500 12 LEU A 2 -71.48 -75.58 REMARK 500 15 LEU A 2 -71.17 -75.98 REMARK 500 16 LEU A 2 -70.35 -76.69 REMARK 500 17 LEU A 2 -70.27 -75.31 REMARK 500 18 LEU A 2 -71.46 -76.13 REMARK 500 19 LEU A 2 -70.30 -74.47 REMARK 500 20 LEU A 2 -70.01 -73.85 REMARK 500 23 LEU A 2 -70.39 -75.03 REMARK 500 24 LEU A 2 -70.41 -74.62 REMARK 500 25 LEU A 2 -71.31 -75.70 REMARK 500 26 LEU A 2 -70.55 -75.53 REMARK 500 27 LEU A 2 -70.61 -73.93 REMARK 500 28 LEU A 2 -71.25 -75.51 REMARK 500 29 LEU A 2 -70.84 -75.74 REMARK 500 30 LEU A 2 -70.51 -75.35 REMARK 500 32 LEU A 2 -71.10 -75.56 REMARK 500 33 LEU A 2 -70.36 -75.20 REMARK 500 34 LEU A 2 -71.08 -75.79 REMARK 500 35 LEU A 2 -70.56 -75.97 REMARK 500 36 LEU A 2 -70.27 -74.54 REMARK 500 38 LEU A 2 -70.14 -74.77 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 LEU A 2 B3A A 3 1 130.35 REMARK 500 LEU A 2 B3A A 3 2 130.35 REMARK 500 LEU A 2 B3A A 3 3 129.96 REMARK 500 LEU A 2 B3A A 3 4 130.59 REMARK 500 LEU A 2 B3A A 3 5 130.55 REMARK 500 LEU A 2 B3A A 3 6 130.60 REMARK 500 LEU A 2 B3A A 3 7 130.11 REMARK 500 LEU A 2 B3A A 3 8 130.45 REMARK 500 LEU A 2 B3A A 3 9 129.77 REMARK 500 LEU A 2 B3A A 3 10 129.60 REMARK 500 LEU A 2 B3A A 3 11 130.21 REMARK 500 LEU A 2 B3A A 3 12 129.95 REMARK 500 LEU A 2 B3A A 3 13 129.95 REMARK 500 LEU A 2 B3A A 3 14 129.80 REMARK 500 LEU A 2 B3A A 3 15 130.12 REMARK 500 LEU A 2 B3A A 3 16 130.54 REMARK 500 LEU A 2 B3A A 3 17 130.39 REMARK 500 LEU A 2 B3A A 3 18 130.34 REMARK 500 LEU A 2 B3A A 3 19 130.81 REMARK 500 LEU A 2 B3A A 3 20 130.18 REMARK 500 LEU A 2 B3A A 3 21 130.65 REMARK 500 LEU A 2 B3A A 3 22 130.35 REMARK 500 LEU A 2 B3A A 3 23 130.40 REMARK 500 LEU A 2 B3A A 3 24 129.88 REMARK 500 LEU A 2 B3A A 3 25 130.05 REMARK 500 LEU A 2 B3A A 3 26 130.55 REMARK 500 LEU A 2 B3A A 3 27 129.44 REMARK 500 LEU A 2 B3A A 3 28 130.26 REMARK 500 LEU A 2 B3A A 3 29 130.32 REMARK 500 LEU A 2 B3A A 3 30 130.63 REMARK 500 LEU A 2 B3A A 3 31 130.70 REMARK 500 LEU A 2 B3A A 3 32 130.28 REMARK 500 LEU A 2 B3A A 3 33 130.35 REMARK 500 LEU A 2 B3A A 3 34 130.69 REMARK 500 LEU A 2 B3A A 3 35 130.72 REMARK 500 LEU A 2 B3A A 3 36 130.27 REMARK 500 LEU A 2 B3A A 3 37 130.99 REMARK 500 LEU A 2 B3A A 3 38 130.25 REMARK 500 LEU A 2 B3A A 3 39 130.71 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: 20065 RELATED DB: BMRB REMARK 900 RELATED ID: 20064 RELATED DB: BMRB REMARK 900 CYCLO[ALA-AOD-BTRP-LEU] REMARK 900 RELATED ID: 20066 RELATED DB: BMRB REMARK 900 CYCLO[TRP-BLEU-ALA-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 SMS20065 SMS20065 1 4 SEQRES 1 A 4 TRP LEU B3A UVR MODRES B3A A 3 ALA (3S)-3-AMINOBUTANOIC ACID HET B3A A 3 13 HET UVR A 4 30 HETNAM B3A (3S)-3-AMINOBUTANOIC ACID FORMUL 1 B3A C4 H9 N O2 FORMUL 1 UVR LINK N TRP A 1 C UVR A 4 1555 1555 1.33 LINK C LEU A 2 N B3A A 3 1555 1555 1.33 LINK C B3A 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 8.468 0.218 -0.230 1.00 0.00 N ATOM 2 CA TRP A 1 7.563 0.799 -1.193 1.00 0.00 C ATOM 3 C TRP A 1 6.811 1.978 -0.587 1.00 0.00 C ATOM 4 O TRP A 1 7.035 3.127 -0.967 1.00 0.00 O ATOM 5 CB TRP A 1 6.609 -0.228 -1.722 1.00 0.00 C ATOM 6 CG TRP A 1 6.840 -0.381 -3.174 1.00 0.00 C ATOM 7 CD1 TRP A 1 7.506 -1.369 -3.775 1.00 0.00 C ATOM 8 CD2 TRP A 1 6.501 0.552 -4.179 1.00 0.00 C ATOM 9 NE1 TRP A 1 7.516 -1.181 -5.139 1.00 0.00 N ATOM 10 CE2 TRP A 1 6.902 0.015 -5.410 1.00 0.00 C ATOM 11 CE3 TRP A 1 5.862 1.773 -4.144 1.00 0.00 C ATOM 12 CZ2 TRP A 1 6.676 0.674 -6.615 1.00 0.00 C ATOM 13 CZ3 TRP A 1 5.638 2.444 -5.332 1.00 0.00 C ATOM 14 CH2 TRP A 1 6.039 1.888 -6.558 1.00 0.00 C ATOM 15 H1 TRP A 1 8.111 -0.030 0.632 1.00 0.00 H ATOM 16 HA TRP A 1 8.140 1.132 -2.024 1.00 0.00 H ATOM 17 HB2 TRP A 1 6.782 -1.177 -1.235 1.00 0.00 H ATOM 18 HB3 TRP A 1 5.591 0.093 -1.567 1.00 0.00 H ATOM 19 HD1 TRP A 1 7.930 -2.181 -3.240 1.00 0.00 H ATOM 20 HE1 TRP A 1 7.904 -1.792 -5.801 1.00 0.00 H ATOM 21 HE3 TRP A 1 5.578 2.205 -3.198 1.00 0.00 H ATOM 22 HZ2 TRP A 1 6.979 0.257 -7.564 1.00 0.00 H ATOM 23 HZ3 TRP A 1 5.140 3.401 -5.326 1.00 0.00 H ATOM 24 HH2 TRP A 1 5.848 2.443 -7.464 1.00 0.00 H ATOM 25 N LEU A 2 6.093 1.703 0.498 1.00 0.00 N ATOM 26 CA LEU A 2 5.521 2.750 1.322 1.00 0.00 C ATOM 27 C LEU A 2 6.606 3.401 2.172 1.00 0.00 C ATOM 28 O LEU A 2 7.185 4.410 1.772 1.00 0.00 O ATOM 29 CB LEU A 2 4.418 2.183 2.218 1.00 0.00 C ATOM 30 CG LEU A 2 3.134 1.780 1.489 1.00 0.00 C ATOM 31 CD1 LEU A 2 2.479 0.594 2.179 1.00 0.00 C ATOM 32 CD2 LEU A 2 2.172 2.956 1.415 1.00 0.00 C ATOM 33 H LEU A 2 6.058 0.790 0.816 1.00 0.00 H ATOM 34 HA LEU A 2 5.101 3.481 0.665 1.00 0.00 H ATOM 35 HB2 LEU A 2 4.807 1.313 2.727 1.00 0.00 H ATOM 36 HB3 LEU A 2 4.165 2.928 2.957 1.00 0.00 H ATOM 37 HG LEU A 2 3.380 1.483 0.479 1.00 0.00 H ATOM 38 HD11 LEU A 2 3.221 -0.164 2.377 1.00 0.00 H ATOM 39 HD12 LEU A 2 1.708 0.188 1.541 1.00 0.00 H ATOM 40 HD13 LEU A 2 2.039 0.919 3.111 1.00 0.00 H ATOM 41 HD21 LEU A 2 2.640 3.770 0.881 1.00 0.00 H ATOM 42 HD22 LEU A 2 1.920 3.278 2.414 1.00 0.00 H ATOM 43 HD23 LEU A 2 1.275 2.655 0.896 1.00 0.00 H HETATM 44 CG B3A A 3 8.323 2.607 5.277 1.00 0.00 C HETATM 45 CB B3A A 3 8.345 2.948 3.787 1.00 0.00 C HETATM 46 N B3A A 3 7.086 2.643 3.153 1.00 0.00 N HETATM 47 CA B3A A 3 9.659 2.117 3.770 1.00 0.00 C HETATM 48 C B3A A 3 10.189 1.811 2.399 1.00 0.00 C HETATM 49 O B3A A 3 11.082 2.487 1.889 1.00 0.00 O HETATM 50 HG1 B3A A 3 9.258 2.895 5.739 1.00 0.00 H HETATM 51 HG2 B3A A 3 8.161 1.547 5.410 1.00 0.00 H HETATM 52 HG3 B3A A 3 7.515 3.147 5.748 1.00 0.00 H HETATM 53 HB B3A A 3 8.512 3.995 3.748 1.00 0.00 H HETATM 54 H B3A A 3 6.749 1.745 3.253 1.00 0.00 H HETATM 55 HA1 B3A A 3 9.468 1.168 4.253 1.00 0.00 H HETATM 56 HA2 B3A A 3 10.424 2.651 4.313 1.00 0.00 H HETATM 57 N UVR A 4 9.913 0.570 2.013 1.00 0.00 N HETATM 58 HN UVR A 4 9.091 0.163 2.317 1.00 0.00 H HETATM 59 CA UVR A 4 10.585 -0.031 0.887 1.00 0.00 C HETATM 60 HA UVR A 4 11.552 0.417 0.816 1.00 0.00 H HETATM 61 CB UVR A 4 10.734 -1.546 1.100 1.00 0.00 C HETATM 62 HB1 UVR A 4 10.030 -1.859 1.857 1.00 0.00 H HETATM 63 HB2 UVR A 4 11.735 -1.749 1.450 1.00 0.00 H HETATM 64 CG UVR A 4 10.491 -2.384 -0.147 1.00 0.00 C HETATM 65 HG1 UVR A 4 11.061 -1.968 -0.965 1.00 0.00 H HETATM 66 HG2 UVR A 4 9.439 -2.353 -0.387 1.00 0.00 H HETATM 67 CD UVR A 4 10.906 -3.832 0.061 1.00 0.00 C HETATM 68 HD1 UVR A 4 10.134 -4.477 -0.329 1.00 0.00 H HETATM 69 HD2 UVR A 4 11.029 -4.013 1.119 1.00 0.00 H HETATM 70 CE UVR A 4 12.216 -4.145 -0.645 1.00 0.00 C HETATM 71 HE1 UVR A 4 12.273 -3.560 -1.551 1.00 0.00 H HETATM 72 HE2 UVR A 4 12.239 -5.195 -0.891 1.00 0.00 H HETATM 73 CF UVR A 4 13.415 -3.816 0.231 1.00 0.00 C HETATM 74 HF1 UVR A 4 13.165 -4.009 1.263 1.00 0.00 H HETATM 75 HF2 UVR A 4 13.673 -2.774 0.102 1.00 0.00 H HETATM 76 CX UVR A 4 14.585 -4.683 -0.165 1.00 0.00 C HETATM 77 OX UVR A 4 14.940 -4.736 -1.341 1.00 0.00 O HETATM 78 CY UVR A 4 15.319 -5.486 0.883 1.00 0.00 C HETATM 79 HY1 UVR A 4 15.181 -6.540 0.699 1.00 0.00 H HETATM 80 HY2 UVR A 4 14.949 -5.227 1.865 1.00 0.00 H HETATM 81 CZ UVR A 4 16.798 -5.179 0.820 1.00 0.00 C HETATM 82 HZ1 UVR A 4 17.108 -4.248 1.273 1.00 0.00 H HETATM 83 HZ2 UVR A 4 17.285 -5.250 -0.142 1.00 0.00 H HETATM 84 HZ3 UVR A 4 17.420 -5.695 1.537 1.00 0.00 H HETATM 85 C UVR A 4 9.790 0.277 -0.379 1.00 0.00 C HETATM 86 O UVR A 4 10.330 0.820 -1.344 1.00 0.00 O TER 87 UVR A 4 ENDMDL MODEL 2 ATOM 1 N TRP A 1 8.467 0.213 -0.234 1.00 0.00 N ATOM 2 CA TRP A 1 7.560 0.793 -1.195 1.00 0.00 C ATOM 3 C TRP A 1 6.811 1.975 -0.590 1.00 0.00 C ATOM 4 O TRP A 1 7.034 3.123 -0.974 1.00 0.00 O ATOM 5 CB TRP A 1 6.604 -0.232 -1.723 1.00 0.00 C ATOM 6 CG TRP A 1 6.828 -0.382 -3.176 1.00 0.00 C ATOM 7 CD1 TRP A 1 6.083 0.137 -4.154 1.00 0.00 C ATOM 8 CD2 TRP A 1 7.937 -1.003 -3.793 1.00 0.00 C ATOM 9 NE1 TRP A 1 6.594 -0.216 -5.384 1.00 0.00 N ATOM 10 CE2 TRP A 1 7.753 -0.920 -5.180 1.00 0.00 C ATOM 11 CE3 TRP A 1 9.043 -1.652 -3.289 1.00 0.00 C ATOM 12 CZ2 TRP A 1 8.657 -1.475 -6.081 1.00 0.00 C ATOM 13 CZ3 TRP A 1 9.955 -2.199 -4.173 1.00 0.00 C ATOM 14 CH2 TRP A 1 9.753 -2.114 -5.559 1.00 0.00 C ATOM 15 H1 TRP A 1 8.110 -0.036 0.629 1.00 0.00 H ATOM 16 HA TRP A 1 8.137 1.125 -2.028 1.00 0.00 H ATOM 17 HB2 TRP A 1 6.779 -1.183 -1.238 1.00 0.00 H ATOM 18 HB3 TRP A 1 5.587 0.088 -1.562 1.00 0.00 H ATOM 19 HD1 TRP A 1 5.211 0.713 -3.967 1.00 0.00 H ATOM 20 HE1 TRP A 1 6.201 0.006 -6.255 1.00 0.00 H ATOM 21 HE3 TRP A 1 9.205 -1.692 -2.222 1.00 0.00 H ATOM 22 HZ2 TRP A 1 8.513 -1.414 -7.149 1.00 0.00 H ATOM 23 HZ3 TRP A 1 10.828 -2.711 -3.798 1.00 0.00 H ATOM 24 HH2 TRP A 1 10.488 -2.554 -6.217 1.00 0.00 H ATOM 25 N LEU A 2 6.097 1.702 0.497 1.00 0.00 N ATOM 26 CA LEU A 2 5.527 2.751 1.320 1.00 0.00 C ATOM 27 C LEU A 2 6.613 3.401 2.171 1.00 0.00 C ATOM 28 O LEU A 2 7.199 4.405 1.769 1.00 0.00 O ATOM 29 CB LEU A 2 4.422 2.189 2.218 1.00 0.00 C ATOM 30 CG LEU A 2 3.129 1.810 1.492 1.00 0.00 C ATOM 31 CD1 LEU A 2 3.143 0.338 1.111 1.00 0.00 C ATOM 32 CD2 LEU A 2 1.919 2.126 2.359 1.00 0.00 C ATOM 33 H LEU A 2 6.062 0.790 0.819 1.00 0.00 H ATOM 34 HA LEU A 2 5.109 3.483 0.663 1.00 0.00 H ATOM 35 HB2 LEU A 2 4.804 1.308 2.713 1.00 0.00 H ATOM 36 HB3 LEU A 2 4.185 2.929 2.967 1.00 0.00 H ATOM 37 HG LEU A 2 3.051 2.390 0.584 1.00 0.00 H ATOM 38 HD11 LEU A 2 2.603 -0.231 1.852 1.00 0.00 H ATOM 39 HD12 LEU A 2 4.164 -0.011 1.062 1.00 0.00 H ATOM 40 HD13 LEU A 2 2.674 0.212 0.146 1.00 0.00 H ATOM 41 HD21 LEU A 2 2.163 1.948 3.397 1.00 0.00 H ATOM 42 HD22 LEU A 2 1.094 1.493 2.070 1.00 0.00 H ATOM 43 HD23 LEU A 2 1.642 3.162 2.227 1.00 0.00 H HETATM 44 CG B3A A 3 8.318 2.601 5.282 1.00 0.00 C HETATM 45 CB B3A A 3 8.343 2.946 3.794 1.00 0.00 C HETATM 46 N B3A A 3 7.086 2.645 3.157 1.00 0.00 N HETATM 47 CA B3A A 3 9.656 2.114 3.778 1.00 0.00 C HETATM 48 C B3A A 3 10.188 1.812 2.405 1.00 0.00 C HETATM 49 O B3A A 3 11.082 2.489 1.898 1.00 0.00 O HETATM 50 HG1 B3A A 3 7.511 3.142 5.755 1.00 0.00 H HETATM 51 HG2 B3A A 3 9.252 2.884 5.748 1.00 0.00 H HETATM 52 HG3 B3A A 3 8.154 1.539 5.412 1.00 0.00 H HETATM 53 HB B3A A 3 8.512 3.992 3.760 1.00 0.00 H HETATM 54 H B3A A 3 6.745 1.749 3.259 1.00 0.00 H HETATM 55 HA1 B3A A 3 9.465 1.164 4.258 1.00 0.00 H HETATM 56 HA2 B3A A 3 10.420 2.646 4.323 1.00 0.00 H HETATM 57 N UVR A 4 9.909 0.574 2.013 1.00 0.00 N HETATM 58 HN UVR A 4 9.087 0.168 2.315 1.00 0.00 H HETATM 59 CA UVR A 4 10.582 -0.024 0.884 1.00 0.00 C HETATM 60 HA UVR A 4 11.549 0.425 0.813 1.00 0.00 H HETATM 61 CB UVR A 4 10.730 -1.534 1.076 1.00 0.00 C HETATM 62 HB1 UVR A 4 10.710 -2.011 0.106 1.00 0.00 H HETATM 63 HB2 UVR A 4 9.897 -1.895 1.661 1.00 0.00 H HETATM 64 CG UVR A 4 12.016 -1.935 1.778 1.00 0.00 C HETATM 65 HG1 UVR A 4 11.831 -1.995 2.840 1.00 0.00 H HETATM 66 HG2 UVR A 4 12.770 -1.187 1.583 1.00 0.00 H HETATM 67 CD UVR A 4 12.522 -3.283 1.288 1.00 0.00 C HETATM 68 HD1 UVR A 4 13.598 -3.309 1.383 1.00 0.00 H HETATM 69 HD2 UVR A 4 12.249 -3.404 0.250 1.00 0.00 H HETATM 70 CE UVR A 4 11.926 -4.428 2.091 1.00 0.00 C HETATM 71 HE1 UVR A 4 11.563 -4.043 3.033 1.00 0.00 H HETATM 72 HE2 UVR A 4 12.693 -5.165 2.273 1.00 0.00 H HETATM 73 CF UVR A 4 10.774 -5.089 1.349 1.00 0.00 C HETATM 74 HF1 UVR A 4 11.161 -5.868 0.713 1.00 0.00 H HETATM 75 HF2 UVR A 4 10.263 -4.344 0.754 1.00 0.00 H HETATM 76 CX UVR A 4 9.812 -5.692 2.343 1.00 0.00 C HETATM 77 OX UVR A 4 9.630 -6.909 2.362 1.00 0.00 O HETATM 78 CY UVR A 4 9.073 -4.804 3.315 1.00 0.00 C HETATM 79 HY1 UVR A 4 8.040 -5.108 3.375 1.00 0.00 H HETATM 80 HY2 UVR A 4 9.141 -3.774 2.990 1.00 0.00 H HETATM 81 CZ UVR A 4 9.689 -4.924 4.691 1.00 0.00 C HETATM 82 HZ1 UVR A 4 10.285 -4.085 5.017 1.00 0.00 H HETATM 83 HZ2 UVR A 4 10.243 -5.823 4.916 1.00 0.00 H HETATM 84 HZ3 UVR A 4 9.027 -4.735 5.523 1.00 0.00 H HETATM 85 C UVR A 4 9.788 0.278 -0.382 1.00 0.00 C HETATM 86 O UVR A 4 10.326 0.825 -1.345 1.00 0.00 O TER 87 UVR A 4 ENDMDL MODEL 3 ATOM 1 N TRP A 1 8.471 0.243 -0.222 1.00 0.00 N ATOM 2 CA TRP A 1 7.583 0.830 -1.195 1.00 0.00 C ATOM 3 C TRP A 1 6.803 1.990 -0.588 1.00 0.00 C ATOM 4 O TRP A 1 7.005 3.145 -0.961 1.00 0.00 O ATOM 5 CB TRP A 1 6.655 -0.198 -1.766 1.00 0.00 C ATOM 6 CG TRP A 1 6.926 -0.326 -3.212 1.00 0.00 C ATOM 7 CD1 TRP A 1 7.624 -1.296 -3.810 1.00 0.00 C ATOM 8 CD2 TRP A 1 6.601 0.617 -4.213 1.00 0.00 C ATOM 9 NE1 TRP A 1 7.668 -1.087 -5.171 1.00 0.00 N ATOM 10 CE2 TRP A 1 7.042 0.105 -5.440 1.00 0.00 C ATOM 11 CE3 TRP A 1 5.941 1.827 -4.177 1.00 0.00 C ATOM 12 CZ2 TRP A 1 6.839 0.779 -6.641 1.00 0.00 C ATOM 13 CZ3 TRP A 1 5.740 2.512 -5.359 1.00 0.00 C ATOM 14 CH2 TRP A 1 6.182 1.982 -6.582 1.00 0.00 C ATOM 15 H1 TRP A 1 8.108 0.026 0.648 1.00 0.00 H ATOM 16 HA TRP A 1 8.176 1.185 -2.006 1.00 0.00 H ATOM 17 HB2 TRP A 1 6.824 -1.154 -1.288 1.00 0.00 H ATOM 18 HB3 TRP A 1 5.629 0.109 -1.633 1.00 0.00 H ATOM 19 HD1 TRP A 1 8.046 -2.109 -3.276 1.00 0.00 H ATOM 20 HE1 TRP A 1 8.081 -1.681 -5.830 1.00 0.00 H ATOM 21 HE3 TRP A 1 5.626 2.241 -3.231 1.00 0.00 H ATOM 22 HZ2 TRP A 1 7.173 0.381 -7.587 1.00 0.00 H ATOM 23 HZ3 TRP A 1 5.227 3.462 -5.352 1.00 0.00 H ATOM 24 HH2 TRP A 1 6.007 2.547 -7.486 1.00 0.00 H ATOM 25 N LEU A 2 6.095 1.696 0.499 1.00 0.00 N ATOM 26 CA LEU A 2 5.509 2.729 1.332 1.00 0.00 C ATOM 27 C LEU A 2 6.590 3.397 2.175 1.00 0.00 C ATOM 28 O LEU A 2 7.153 4.413 1.770 1.00 0.00 O ATOM 29 CB LEU A 2 4.423 2.139 2.235 1.00 0.00 C ATOM 30 CG LEU A 2 3.003 2.213 1.673 1.00 0.00 C ATOM 31 CD1 LEU A 2 2.094 1.227 2.390 1.00 0.00 C ATOM 32 CD2 LEU A 2 2.457 3.627 1.789 1.00 0.00 C ATOM 33 H LEU A 2 6.080 0.781 0.816 1.00 0.00 H ATOM 34 HA LEU A 2 5.071 3.455 0.681 1.00 0.00 H ATOM 35 HB2 LEU A 2 4.663 1.102 2.420 1.00 0.00 H ATOM 36 HB3 LEU A 2 4.440 2.667 3.177 1.00 0.00 H ATOM 37 HG LEU A 2 3.023 1.946 0.625 1.00 0.00 H ATOM 38 HD11 LEU A 2 1.369 0.833 1.693 1.00 0.00 H ATOM 39 HD12 LEU A 2 1.580 1.733 3.196 1.00 0.00 H ATOM 40 HD13 LEU A 2 2.685 0.418 2.792 1.00 0.00 H ATOM 41 HD21 LEU A 2 2.945 4.135 2.610 1.00 0.00 H ATOM 42 HD22 LEU A 2 1.394 3.589 1.972 1.00 0.00 H ATOM 43 HD23 LEU A 2 2.647 4.164 0.872 1.00 0.00 H HETATM 44 CG B3A A 3 8.348 2.641 5.262 1.00 0.00 C HETATM 45 CB B3A A 3 8.353 2.962 3.769 1.00 0.00 C HETATM 46 N B3A A 3 7.090 2.644 3.151 1.00 0.00 N HETATM 47 CA B3A A 3 9.672 2.140 3.748 1.00 0.00 C HETATM 48 C B3A A 3 10.185 1.815 2.375 1.00 0.00 C HETATM 49 O B3A A 3 11.065 2.489 1.838 1.00 0.00 O HETATM 50 HG1 B3A A 3 8.190 1.581 5.412 1.00 0.00 H HETATM 51 HG2 B3A A 3 7.544 3.186 5.736 1.00 0.00 H HETATM 52 HG3 B3A A 3 9.287 2.937 5.711 1.00 0.00 H HETATM 53 HB B3A A 3 8.514 4.009 3.715 1.00 0.00 H HETATM 54 H B3A A 3 6.766 1.742 3.253 1.00 0.00 H HETATM 55 HA1 B3A A 3 9.495 1.199 4.250 1.00 0.00 H HETATM 56 HA2 B3A A 3 10.440 2.689 4.272 1.00 0.00 H HETATM 57 N UVR A 4 9.919 0.562 2.020 1.00 0.00 N HETATM 58 HN UVR A 4 9.113 0.147 2.356 1.00 0.00 H HETATM 59 CA UVR A 4 10.579 -0.056 0.897 1.00 0.00 C HETATM 60 HA UVR A 4 11.556 0.369 0.825 1.00 0.00 H HETATM 61 CB UVR A 4 10.690 -1.569 1.102 1.00 0.00 C HETATM 62 HB1 UVR A 4 11.148 -1.756 2.062 1.00 0.00 H HETATM 63 HB2 UVR A 4 11.319 -1.980 0.327 1.00 0.00 H HETATM 64 CG UVR A 4 9.353 -2.291 1.065 1.00 0.00 C HETATM 65 HG1 UVR A 4 9.065 -2.442 0.034 1.00 0.00 H HETATM 66 HG2 UVR A 4 8.611 -1.684 1.562 1.00 0.00 H HETATM 67 CD UVR A 4 9.429 -3.642 1.760 1.00 0.00 C HETATM 68 HD1 UVR A 4 9.951 -3.523 2.698 1.00 0.00 H HETATM 69 HD2 UVR A 4 9.971 -4.330 1.128 1.00 0.00 H HETATM 70 CE UVR A 4 8.045 -4.207 2.031 1.00 0.00 C HETATM 71 HE1 UVR A 4 7.349 -3.790 1.317 1.00 0.00 H HETATM 72 HE2 UVR A 4 7.744 -3.933 3.031 1.00 0.00 H HETATM 73 CF UVR A 4 8.028 -5.723 1.911 1.00 0.00 C HETATM 74 HF1 UVR A 4 8.752 -6.029 1.172 1.00 0.00 H HETATM 75 HF2 UVR A 4 7.039 -6.044 1.614 1.00 0.00 H HETATM 76 CX UVR A 4 8.387 -6.341 3.240 1.00 0.00 C HETATM 77 OX UVR A 4 9.241 -5.816 3.952 1.00 0.00 O HETATM 78 CY UVR A 4 7.695 -7.604 3.696 1.00 0.00 C HETATM 79 HY1 UVR A 4 8.317 -8.459 3.481 1.00 0.00 H HETATM 80 HY2 UVR A 4 6.742 -7.699 3.194 1.00 0.00 H HETATM 81 CZ UVR A 4 7.458 -7.548 5.189 1.00 0.00 C HETATM 82 HZ1 UVR A 4 8.218 -7.046 5.769 1.00 0.00 H HETATM 83 HZ2 UVR A 4 7.222 -8.473 5.695 1.00 0.00 H HETATM 84 HZ3 UVR A 4 6.754 -6.804 5.528 1.00 0.00 H HETATM 85 C UVR A 4 9.794 0.256 -0.373 1.00 0.00 C HETATM 86 O UVR A 4 10.350 0.761 -1.348 1.00 0.00 O TER 87 UVR A 4 ENDMDL MODEL 4 ATOM 1 N TRP A 1 8.476 0.232 -0.213 1.00 0.00 N ATOM 2 CA TRP A 1 7.579 0.826 -1.174 1.00 0.00 C ATOM 3 C TRP A 1 6.827 2.001 -0.560 1.00 0.00 C ATOM 4 O TRP A 1 7.078 3.156 -0.905 1.00 0.00 O ATOM 5 CB TRP A 1 6.625 -0.192 -1.720 1.00 0.00 C ATOM 6 CG TRP A 1 6.860 -0.326 -3.173 1.00 0.00 C ATOM 7 CD1 TRP A 1 7.528 -1.306 -3.786 1.00 0.00 C ATOM 8 CD2 TRP A 1 6.527 0.622 -4.167 1.00 0.00 C ATOM 9 NE1 TRP A 1 7.542 -1.099 -5.147 1.00 0.00 N ATOM 10 CE2 TRP A 1 6.930 0.101 -5.404 1.00 0.00 C ATOM 11 CE3 TRP A 1 5.888 1.842 -4.117 1.00 0.00 C ATOM 12 CZ2 TRP A 1 6.709 0.777 -6.600 1.00 0.00 C ATOM 13 CZ3 TRP A 1 5.670 2.529 -5.296 1.00 0.00 C ATOM 14 CH2 TRP A 1 6.073 1.991 -6.528 1.00 0.00 C ATOM 15 H1 TRP A 1 8.121 0.008 0.656 1.00 0.00 H ATOM 16 HA TRP A 1 8.162 1.167 -1.999 1.00 0.00 H ATOM 17 HB2 TRP A 1 6.794 -1.149 -1.246 1.00 0.00 H ATOM 18 HB3 TRP A 1 5.606 0.129 -1.564 1.00 0.00 H ATOM 19 HD1 TRP A 1 7.948 -2.126 -3.260 1.00 0.00 H ATOM 20 HE1 TRP A 1 7.930 -1.702 -5.816 1.00 0.00 H ATOM 21 HE3 TRP A 1 5.603 2.262 -3.165 1.00 0.00 H ATOM 22 HZ2 TRP A 1 7.015 0.373 -7.554 1.00 0.00 H ATOM 23 HZ3 TRP A 1 5.173 3.489 -5.277 1.00 0.00 H ATOM 24 HH2 TRP A 1 5.885 2.558 -7.428 1.00 0.00 H ATOM 25 N LEU A 2 6.073 1.710 0.495 1.00 0.00 N ATOM 26 CA LEU A 2 5.489 2.747 1.327 1.00 0.00 C ATOM 27 C LEU A 2 6.566 3.404 2.183 1.00 0.00 C ATOM 28 O LEU A 2 7.102 4.448 1.814 1.00 0.00 O ATOM 29 CB LEU A 2 4.384 2.168 2.214 1.00 0.00 C ATOM 30 CG LEU A 2 3.489 1.127 1.537 1.00 0.00 C ATOM 31 CD1 LEU A 2 3.975 -0.280 1.852 1.00 0.00 C ATOM 32 CD2 LEU A 2 2.042 1.304 1.973 1.00 0.00 C ATOM 33 H LEU A 2 6.007 0.789 0.786 1.00 0.00 H ATOM 34 HA LEU A 2 5.067 3.479 0.672 1.00 0.00 H ATOM 35 HB2 LEU A 2 4.847 1.711 3.076 1.00 0.00 H ATOM 36 HB3 LEU A 2 3.761 2.982 2.552 1.00 0.00 H ATOM 37 HG LEU A 2 3.536 1.264 0.466 1.00 0.00 H ATOM 38 HD11 LEU A 2 3.369 -0.701 2.641 1.00 0.00 H ATOM 39 HD12 LEU A 2 5.006 -0.243 2.169 1.00 0.00 H ATOM 40 HD13 LEU A 2 3.891 -0.895 0.968 1.00 0.00 H ATOM 41 HD21 LEU A 2 1.902 0.855 2.946 1.00 0.00 H ATOM 42 HD22 LEU A 2 1.390 0.824 1.258 1.00 0.00 H ATOM 43 HD23 LEU A 2 1.808 2.357 2.025 1.00 0.00 H HETATM 44 CG B3A A 3 8.338 2.635 5.245 1.00 0.00 C HETATM 45 CB B3A A 3 8.350 2.954 3.751 1.00 0.00 C HETATM 46 N B3A A 3 7.091 2.629 3.128 1.00 0.00 N HETATM 47 CA B3A A 3 9.674 2.140 3.738 1.00 0.00 C HETATM 48 C B3A A 3 10.193 1.811 2.368 1.00 0.00 C HETATM 49 O B3A A 3 11.067 2.490 1.828 1.00 0.00 O HETATM 50 HG1 B3A A 3 8.185 1.574 5.395 1.00 0.00 H HETATM 51 HG2 B3A A 3 7.531 3.176 5.715 1.00 0.00 H HETATM 52 HG3 B3A A 3 9.274 2.935 5.698 1.00 0.00 H HETATM 53 HB B3A A 3 8.505 4.001 3.696 1.00 0.00 H HETATM 54 H B3A A 3 6.788 1.717 3.199 1.00 0.00 H HETATM 55 HA1 B3A A 3 9.503 1.200 4.244 1.00 0.00 H HETATM 56 HA2 B3A A 3 10.437 2.697 4.260 1.00 0.00 H HETATM 57 N UVR A 4 9.935 0.555 2.019 1.00 0.00 N HETATM 58 HN UVR A 4 9.131 0.137 2.356 1.00 0.00 H HETATM 59 CA UVR A 4 10.593 -0.058 0.891 1.00 0.00 C HETATM 60 HA UVR A 4 11.567 0.373 0.814 1.00 0.00 H HETATM 61 CB UVR A 4 10.713 -1.570 1.093 1.00 0.00 C HETATM 62 HB1 UVR A 4 11.174 -1.755 2.052 1.00 0.00 H HETATM 63 HB2 UVR A 4 11.341 -1.977 0.316 1.00 0.00 H HETATM 64 CG UVR A 4 9.379 -2.301 1.059 1.00 0.00 C HETATM 65 HG1 UVR A 4 8.864 -2.047 0.144 1.00 0.00 H HETATM 66 HG2 UVR A 4 8.787 -1.991 1.907 1.00 0.00 H HETATM 67 CD UVR A 4 9.569 -3.808 1.118 1.00 0.00 C HETATM 68 HD1 UVR A 4 9.575 -4.121 2.151 1.00 0.00 H HETATM 69 HD2 UVR A 4 10.513 -4.060 0.657 1.00 0.00 H HETATM 70 CE UVR A 4 8.454 -4.540 0.386 1.00 0.00 C HETATM 71 HE1 UVR A 4 7.928 -3.838 -0.244 1.00 0.00 H HETATM 72 HE2 UVR A 4 7.771 -4.953 1.113 1.00 0.00 H HETATM 73 CF UVR A 4 8.997 -5.669 -0.476 1.00 0.00 C HETATM 74 HF1 UVR A 4 9.040 -6.574 0.108 1.00 0.00 H HETATM 75 HF2 UVR A 4 9.989 -5.405 -0.821 1.00 0.00 H HETATM 76 CX UVR A 4 8.088 -5.886 -1.661 1.00 0.00 C HETATM 77 OX UVR A 4 7.546 -6.976 -1.829 1.00 0.00 O HETATM 78 CY UVR A 4 7.845 -4.763 -2.642 1.00 0.00 C HETATM 79 HY1 UVR A 4 8.191 -3.830 -2.222 1.00 0.00 H HETATM 80 HY2 UVR A 4 6.789 -4.700 -2.868 1.00 0.00 H HETATM 81 CZ UVR A 4 8.607 -5.025 -3.921 1.00 0.00 C HETATM 82 HZ1 UVR A 4 9.683 -4.980 -3.847 1.00 0.00 H HETATM 83 HZ2 UVR A 4 8.318 -4.468 -4.800 1.00 0.00 H HETATM 84 HZ3 UVR A 4 8.703 -6.061 -4.210 1.00 0.00 H HETATM 85 C UVR A 4 9.799 0.254 -0.373 1.00 0.00 C HETATM 86 O UVR A 4 10.346 0.771 -1.348 1.00 0.00 O TER 87 UVR A 4 ENDMDL MODEL 5 ATOM 1 N TRP A 1 8.469 0.245 -0.210 1.00 0.00 N ATOM 2 CA TRP A 1 7.571 0.812 -1.186 1.00 0.00 C ATOM 3 C TRP A 1 6.799 1.983 -0.593 1.00 0.00 C ATOM 4 O TRP A 1 7.015 3.133 -0.973 1.00 0.00 O ATOM 5 CB TRP A 1 6.638 -0.228 -1.725 1.00 0.00 C ATOM 6 CG TRP A 1 6.881 -0.374 -3.176 1.00 0.00 C ATOM 7 CD1 TRP A 1 6.137 0.131 -4.163 1.00 0.00 C ATOM 8 CD2 TRP A 1 8.009 -0.973 -3.781 1.00 0.00 C ATOM 9 NE1 TRP A 1 6.669 -0.210 -5.387 1.00 0.00 N ATOM 10 CE2 TRP A 1 7.839 -0.891 -5.169 1.00 0.00 C ATOM 11 CE3 TRP A 1 9.124 -1.599 -3.266 1.00 0.00 C ATOM 12 CZ2 TRP A 1 8.765 -1.426 -6.061 1.00 0.00 C ATOM 13 CZ3 TRP A 1 10.055 -2.127 -4.139 1.00 0.00 C ATOM 14 CH2 TRP A 1 9.868 -2.043 -5.529 1.00 0.00 C ATOM 15 H1 TRP A 1 8.118 0.063 0.670 1.00 0.00 H ATOM 16 HA TRP A 1 8.155 1.151 -2.011 1.00 0.00 H ATOM 17 HB2 TRP A 1 6.821 -1.177 -1.240 1.00 0.00 H ATOM 18 HB3 TRP A 1 5.613 0.076 -1.577 1.00 0.00 H ATOM 19 HD1 TRP A 1 5.253 0.688 -3.985 1.00 0.00 H ATOM 20 HE1 TRP A 1 6.282 0.005 -6.261 1.00 0.00 H ATOM 21 HE3 TRP A 1 9.275 -1.639 -2.197 1.00 0.00 H ATOM 22 HZ2 TRP A 1 8.631 -1.367 -7.132 1.00 0.00 H ATOM 23 HZ3 TRP A 1 10.936 -2.622 -3.755 1.00 0.00 H ATOM 24 HH2 TRP A 1 10.618 -2.469 -6.179 1.00 0.00 H ATOM 25 N LEU A 2 6.086 1.705 0.494 1.00 0.00 N ATOM 26 CA LEU A 2 5.514 2.749 1.321 1.00 0.00 C ATOM 27 C LEU A 2 6.601 3.399 2.171 1.00 0.00 C ATOM 28 O LEU A 2 7.176 4.413 1.777 1.00 0.00 O ATOM 29 CB LEU A 2 4.411 2.183 2.217 1.00 0.00 C ATOM 30 CG LEU A 2 3.212 1.593 1.471 1.00 0.00 C ATOM 31 CD1 LEU A 2 3.431 0.113 1.196 1.00 0.00 C ATOM 32 CD2 LEU A 2 1.934 1.807 2.267 1.00 0.00 C ATOM 33 H LEU A 2 6.060 0.792 0.817 1.00 0.00 H ATOM 34 HA LEU A 2 5.096 3.483 0.667 1.00 0.00 H ATOM 35 HB2 LEU A 2 4.841 1.409 2.836 1.00 0.00 H ATOM 36 HB3 LEU A 2 4.053 2.976 2.857 1.00 0.00 H ATOM 37 HG LEU A 2 3.105 2.097 0.521 1.00 0.00 H ATOM 38 HD11 LEU A 2 4.045 -0.311 1.977 1.00 0.00 H ATOM 39 HD12 LEU A 2 3.925 -0.006 0.244 1.00 0.00 H ATOM 40 HD13 LEU A 2 2.477 -0.393 1.174 1.00 0.00 H ATOM 41 HD21 LEU A 2 2.070 1.440 3.273 1.00 0.00 H ATOM 42 HD22 LEU A 2 1.122 1.271 1.795 1.00 0.00 H ATOM 43 HD23 LEU A 2 1.700 2.861 2.297 1.00 0.00 H HETATM 44 CG B3A A 3 8.321 2.602 5.273 1.00 0.00 C HETATM 45 CB B3A A 3 8.344 2.945 3.784 1.00 0.00 C HETATM 46 N B3A A 3 7.086 2.638 3.149 1.00 0.00 N HETATM 47 CA B3A A 3 9.659 2.116 3.768 1.00 0.00 C HETATM 48 C B3A A 3 10.192 1.812 2.397 1.00 0.00 C HETATM 49 O B3A A 3 11.083 2.492 1.888 1.00 0.00 O HETATM 50 HG1 B3A A 3 8.161 1.540 5.406 1.00 0.00 H HETATM 51 HG2 B3A A 3 7.512 3.140 5.745 1.00 0.00 H HETATM 52 HG3 B3A A 3 9.255 2.890 5.738 1.00 0.00 H HETATM 53 HB B3A A 3 8.510 3.992 3.748 1.00 0.00 H HETATM 54 H B3A A 3 6.751 1.741 3.249 1.00 0.00 H HETATM 55 HA1 B3A A 3 9.471 1.167 4.251 1.00 0.00 H HETATM 56 HA2 B3A A 3 10.423 2.652 4.312 1.00 0.00 H HETATM 57 N UVR A 4 9.921 0.570 2.012 1.00 0.00 N HETATM 58 HN UVR A 4 9.101 0.162 2.317 1.00 0.00 H HETATM 59 CA UVR A 4 10.597 -0.028 0.885 1.00 0.00 C HETATM 60 HA UVR A 4 11.547 0.455 0.799 1.00 0.00 H HETATM 61 CB UVR A 4 10.813 -1.534 1.106 1.00 0.00 C HETATM 62 HB1 UVR A 4 11.167 -1.685 2.116 1.00 0.00 H HETATM 63 HB2 UVR A 4 11.571 -1.878 0.420 1.00 0.00 H HETATM 64 CG UVR A 4 9.570 -2.395 0.905 1.00 0.00 C HETATM 65 HG1 UVR A 4 9.877 -3.376 0.572 1.00 0.00 H HETATM 66 HG2 UVR A 4 8.943 -1.943 0.152 1.00 0.00 H HETATM 67 CD UVR A 4 8.765 -2.545 2.189 1.00 0.00 C HETATM 68 HD1 UVR A 4 7.920 -3.191 1.997 1.00 0.00 H HETATM 69 HD2 UVR A 4 8.412 -1.573 2.498 1.00 0.00 H HETATM 70 CE UVR A 4 9.600 -3.144 3.310 1.00 0.00 C HETATM 71 HE1 UVR A 4 9.822 -2.372 4.032 1.00 0.00 H HETATM 72 HE2 UVR A 4 10.521 -3.528 2.896 1.00 0.00 H HETATM 73 CF UVR A 4 8.864 -4.277 4.011 1.00 0.00 C HETATM 74 HF1 UVR A 4 7.806 -4.185 3.820 1.00 0.00 H HETATM 75 HF2 UVR A 4 9.053 -4.218 5.074 1.00 0.00 H HETATM 76 CX UVR A 4 9.348 -5.605 3.482 1.00 0.00 C HETATM 77 OX UVR A 4 8.827 -6.096 2.481 1.00 0.00 O HETATM 78 CY UVR A 4 10.472 -6.332 4.182 1.00 0.00 C HETATM 79 HY1 UVR A 4 10.636 -7.290 3.712 1.00 0.00 H HETATM 80 HY2 UVR A 4 10.224 -6.465 5.226 1.00 0.00 H HETATM 81 CZ UVR A 4 11.747 -5.525 4.079 1.00 0.00 C HETATM 82 HZ1 UVR A 4 12.583 -5.884 4.662 1.00 0.00 H HETATM 83 HZ2 UVR A 4 11.679 -4.458 4.232 1.00 0.00 H HETATM 84 HZ3 UVR A 4 12.340 -5.688 3.191 1.00 0.00 H HETATM 85 C UVR A 4 9.791 0.237 -0.384 1.00 0.00 C HETATM 86 O UVR A 4 10.334 0.698 -1.388 1.00 0.00 O TER 87 UVR A 4 ENDMDL MODEL 6 ATOM 1 N TRP A 1 8.467 0.208 -0.235 1.00 0.00 N ATOM 2 CA TRP A 1 7.557 0.790 -1.191 1.00 0.00 C ATOM 3 C TRP A 1 6.817 1.976 -0.584 1.00 0.00 C ATOM 4 O TRP A 1 7.053 3.124 -0.962 1.00 0.00 O ATOM 5 CB TRP A 1 6.592 -0.234 -1.707 1.00 0.00 C ATOM 6 CG TRP A 1 6.799 -0.385 -3.163 1.00 0.00 C ATOM 7 CD1 TRP A 1 7.447 -1.378 -3.777 1.00 0.00 C ATOM 8 CD2 TRP A 1 6.451 0.553 -4.161 1.00 0.00 C ATOM 9 NE1 TRP A 1 7.436 -1.187 -5.140 1.00 0.00 N ATOM 10 CE2 TRP A 1 6.827 0.015 -5.399 1.00 0.00 C ATOM 11 CE3 TRP A 1 5.822 1.778 -4.113 1.00 0.00 C ATOM 12 CZ2 TRP A 1 6.588 0.679 -6.599 1.00 0.00 C ATOM 13 CZ3 TRP A 1 5.585 2.454 -5.295 1.00 0.00 C ATOM 14 CH2 TRP A 1 5.962 1.898 -6.529 1.00 0.00 C ATOM 15 H1 TRP A 1 8.112 -0.054 0.625 1.00 0.00 H ATOM 16 HA TRP A 1 8.129 1.116 -2.029 1.00 0.00 H ATOM 17 HB2 TRP A 1 6.770 -1.185 -1.224 1.00 0.00 H ATOM 18 HB3 TRP A 1 5.578 0.089 -1.535 1.00 0.00 H ATOM 19 HD1 TRP A 1 7.872 -2.195 -3.250 1.00 0.00 H ATOM 20 HE1 TRP A 1 7.808 -1.800 -5.809 1.00 0.00 H ATOM 21 HE3 TRP A 1 5.557 2.211 -3.160 1.00 0.00 H ATOM 22 HZ2 TRP A 1 6.872 0.262 -7.553 1.00 0.00 H ATOM 23 HZ3 TRP A 1 5.096 3.416 -5.279 1.00 0.00 H ATOM 24 HH2 TRP A 1 5.760 2.456 -7.431 1.00 0.00 H ATOM 25 N LEU A 2 6.092 1.705 0.497 1.00 0.00 N ATOM 26 CA LEU A 2 5.523 2.756 1.319 1.00 0.00 C ATOM 27 C LEU A 2 6.611 3.402 2.171 1.00 0.00 C ATOM 28 O LEU A 2 7.194 4.411 1.773 1.00 0.00 O ATOM 29 CB LEU A 2 4.416 2.196 2.215 1.00 0.00 C ATOM 30 CG LEU A 2 3.020 2.188 1.592 1.00 0.00 C ATOM 31 CD1 LEU A 2 2.128 1.176 2.293 1.00 0.00 C ATOM 32 CD2 LEU A 2 2.403 3.577 1.652 1.00 0.00 C ATOM 33 H LEU A 2 6.045 0.791 0.814 1.00 0.00 H ATOM 34 HA LEU A 2 5.108 3.488 0.662 1.00 0.00 H ATOM 35 HB2 LEU A 2 4.676 1.180 2.479 1.00 0.00 H ATOM 36 HB3 LEU A 2 4.379 2.786 3.119 1.00 0.00 H ATOM 37 HG LEU A 2 3.098 1.900 0.553 1.00 0.00 H ATOM 38 HD11 LEU A 2 1.537 1.677 3.045 1.00 0.00 H ATOM 39 HD12 LEU A 2 2.740 0.419 2.760 1.00 0.00 H ATOM 40 HD13 LEU A 2 1.473 0.712 1.570 1.00 0.00 H ATOM 41 HD21 LEU A 2 1.828 3.755 0.755 1.00 0.00 H ATOM 42 HD22 LEU A 2 3.187 4.316 1.728 1.00 0.00 H ATOM 43 HD23 LEU A 2 1.757 3.647 2.514 1.00 0.00 H HETATM 44 CG B3A A 3 8.315 2.598 5.280 1.00 0.00 C HETATM 45 CB B3A A 3 8.343 2.944 3.792 1.00 0.00 C HETATM 46 N B3A A 3 7.086 2.642 3.152 1.00 0.00 N HETATM 47 CA B3A A 3 9.655 2.112 3.776 1.00 0.00 C HETATM 48 C B3A A 3 10.189 1.810 2.405 1.00 0.00 C HETATM 49 O B3A A 3 11.086 2.487 1.900 1.00 0.00 O HETATM 50 HG1 B3A A 3 9.249 2.883 5.746 1.00 0.00 H HETATM 51 HG2 B3A A 3 8.153 1.537 5.409 1.00 0.00 H HETATM 52 HG3 B3A A 3 7.506 3.137 5.750 1.00 0.00 H HETATM 53 HB B3A A 3 8.511 3.990 3.757 1.00 0.00 H HETATM 54 H B3A A 3 6.746 1.746 3.251 1.00 0.00 H HETATM 55 HA1 B3A A 3 9.463 1.161 4.255 1.00 0.00 H HETATM 56 HA2 B3A A 3 10.419 2.643 4.323 1.00 0.00 H HETATM 57 N UVR A 4 9.911 0.572 2.011 1.00 0.00 N HETATM 58 HN UVR A 4 9.087 0.166 2.308 1.00 0.00 H HETATM 59 CA UVR A 4 10.586 -0.024 0.885 1.00 0.00 C HETATM 60 HA UVR A 4 11.550 0.428 0.814 1.00 0.00 H HETATM 61 CB UVR A 4 10.739 -1.538 1.094 1.00 0.00 C HETATM 62 HB1 UVR A 4 10.028 -1.856 1.843 1.00 0.00 H HETATM 63 HB2 UVR A 4 11.736 -1.738 1.454 1.00 0.00 H HETATM 64 CG UVR A 4 10.513 -2.372 -0.158 1.00 0.00 C HETATM 65 HG1 UVR A 4 11.090 -1.951 -0.968 1.00 0.00 H HETATM 66 HG2 UVR A 4 9.463 -2.346 -0.410 1.00 0.00 H HETATM 67 CD UVR A 4 10.934 -3.818 0.051 1.00 0.00 C HETATM 68 HD1 UVR A 4 10.583 -4.408 -0.783 1.00 0.00 H HETATM 69 HD2 UVR A 4 10.491 -4.183 0.965 1.00 0.00 H HETATM 70 CE UVR A 4 12.445 -3.950 0.149 1.00 0.00 C HETATM 71 HE1 UVR A 4 12.684 -4.653 0.935 1.00 0.00 H HETATM 72 HE2 UVR A 4 12.867 -2.985 0.387 1.00 0.00 H HETATM 73 CF UVR A 4 13.049 -4.444 -1.156 1.00 0.00 C HETATM 74 HF1 UVR A 4 12.613 -3.899 -1.978 1.00 0.00 H HETATM 75 HF2 UVR A 4 12.845 -5.501 -1.263 1.00 0.00 H HETATM 76 CX UVR A 4 14.539 -4.213 -1.144 1.00 0.00 C HETATM 77 OX UVR A 4 15.302 -5.130 -0.843 1.00 0.00 O HETATM 78 CY UVR A 4 15.096 -2.854 -1.501 1.00 0.00 C HETATM 79 HY1 UVR A 4 15.202 -2.257 -0.609 1.00 0.00 H HETATM 80 HY2 UVR A 4 14.435 -2.363 -2.203 1.00 0.00 H HETATM 81 CZ UVR A 4 16.459 -3.009 -2.137 1.00 0.00 C HETATM 82 HZ1 UVR A 4 16.685 -2.326 -2.943 1.00 0.00 H HETATM 83 HZ2 UVR A 4 16.754 -3.997 -2.458 1.00 0.00 H HETATM 84 HZ3 UVR A 4 17.288 -2.584 -1.590 1.00 0.00 H HETATM 85 C UVR A 4 9.789 0.286 -0.381 1.00 0.00 C HETATM 86 O UVR A 4 10.323 0.845 -1.338 1.00 0.00 O TER 87 UVR A 4 ENDMDL MODEL 7 ATOM 1 N TRP A 1 8.467 0.224 -0.231 1.00 0.00 N ATOM 2 CA TRP A 1 7.570 0.809 -1.198 1.00 0.00 C ATOM 3 C TRP A 1 6.808 1.980 -0.591 1.00 0.00 C ATOM 4 O TRP A 1 7.017 3.132 -0.971 1.00 0.00 O ATOM 5 CB TRP A 1 6.625 -0.216 -1.745 1.00 0.00 C ATOM 6 CG TRP A 1 6.869 -0.355 -3.196 1.00 0.00 C ATOM 7 CD1 TRP A 1 6.132 0.167 -4.181 1.00 0.00 C ATOM 8 CD2 TRP A 1 7.990 -0.963 -3.803 1.00 0.00 C ATOM 9 NE1 TRP A 1 6.662 -0.174 -5.406 1.00 0.00 N ATOM 10 CE2 TRP A 1 7.823 -0.870 -5.192 1.00 0.00 C ATOM 11 CE3 TRP A 1 9.095 -1.606 -3.290 1.00 0.00 C ATOM 12 CZ2 TRP A 1 8.744 -1.411 -6.084 1.00 0.00 C ATOM 13 CZ3 TRP A 1 10.022 -2.140 -4.165 1.00 0.00 C ATOM 14 CH2 TRP A 1 9.838 -2.045 -5.554 1.00 0.00 C ATOM 15 H1 TRP A 1 8.107 -0.012 0.633 1.00 0.00 H ATOM 16 HA TRP A 1 8.155 1.152 -2.021 1.00 0.00 H ATOM 17 HB2 TRP A 1 6.797 -1.170 -1.265 1.00 0.00 H ATOM 18 HB3 TRP A 1 5.604 0.099 -1.596 1.00 0.00 H ATOM 19 HD1 TRP A 1 5.254 0.733 -4.000 1.00 0.00 H ATOM 20 HE1 TRP A 1 6.278 0.051 -6.280 1.00 0.00 H ATOM 21 HE3 TRP A 1 9.244 -1.653 -2.221 1.00 0.00 H ATOM 22 HZ2 TRP A 1 8.613 -1.345 -7.155 1.00 0.00 H ATOM 23 HZ3 TRP A 1 10.896 -2.647 -3.783 1.00 0.00 H ATOM 24 HH2 TRP A 1 10.584 -2.476 -6.205 1.00 0.00 H ATOM 25 N LEU A 2 6.099 1.698 0.498 1.00 0.00 N ATOM 26 CA LEU A 2 5.521 2.739 1.327 1.00 0.00 C ATOM 27 C LEU A 2 6.604 3.398 2.172 1.00 0.00 C ATOM 28 O LEU A 2 7.181 4.407 1.766 1.00 0.00 O ATOM 29 CB LEU A 2 4.428 2.161 2.227 1.00 0.00 C ATOM 30 CG LEU A 2 3.086 1.911 1.538 1.00 0.00 C ATOM 31 CD1 LEU A 2 2.404 0.684 2.124 1.00 0.00 C ATOM 32 CD2 LEU A 2 2.189 3.134 1.663 1.00 0.00 C ATOM 33 H LEU A 2 6.077 0.785 0.819 1.00 0.00 H ATOM 34 HA LEU A 2 5.092 3.466 0.672 1.00 0.00 H ATOM 35 HB2 LEU A 2 4.783 1.223 2.630 1.00 0.00 H ATOM 36 HB3 LEU A 2 4.264 2.846 3.045 1.00 0.00 H ATOM 37 HG LEU A 2 3.257 1.727 0.487 1.00 0.00 H ATOM 38 HD11 LEU A 2 2.716 -0.195 1.581 1.00 0.00 H ATOM 39 HD12 LEU A 2 1.333 0.796 2.045 1.00 0.00 H ATOM 40 HD13 LEU A 2 2.678 0.583 3.164 1.00 0.00 H ATOM 41 HD21 LEU A 2 2.315 3.762 0.794 1.00 0.00 H ATOM 42 HD22 LEU A 2 2.457 3.687 2.550 1.00 0.00 H ATOM 43 HD23 LEU A 2 1.158 2.819 1.733 1.00 0.00 H HETATM 44 CG B3A A 3 8.331 2.622 5.275 1.00 0.00 C HETATM 45 CB B3A A 3 8.348 2.955 3.784 1.00 0.00 C HETATM 46 N B3A A 3 7.088 2.646 3.156 1.00 0.00 N HETATM 47 CA B3A A 3 9.662 2.125 3.767 1.00 0.00 C HETATM 48 C B3A A 3 10.188 1.813 2.396 1.00 0.00 C HETATM 49 O B3A A 3 11.079 2.486 1.879 1.00 0.00 O HETATM 50 HG1 B3A A 3 7.525 3.166 5.747 1.00 0.00 H HETATM 51 HG2 B3A A 3 9.266 2.912 5.734 1.00 0.00 H HETATM 52 HG3 B3A A 3 8.169 1.562 5.416 1.00 0.00 H HETATM 53 HB B3A A 3 8.514 4.001 3.739 1.00 0.00 H HETATM 54 H B3A A 3 6.754 1.748 3.259 1.00 0.00 H HETATM 55 HA1 B3A A 3 9.476 1.180 4.257 1.00 0.00 H HETATM 56 HA2 B3A A 3 10.428 2.663 4.304 1.00 0.00 H HETATM 57 N UVR A 4 9.909 0.571 2.016 1.00 0.00 N HETATM 58 HN UVR A 4 9.090 0.165 2.325 1.00 0.00 H HETATM 59 CA UVR A 4 10.579 -0.036 0.889 1.00 0.00 C HETATM 60 HA UVR A 4 11.550 0.404 0.818 1.00 0.00 H HETATM 61 CB UVR A 4 10.712 -1.548 1.086 1.00 0.00 C HETATM 62 HB1 UVR A 4 10.998 -1.998 0.148 1.00 0.00 H HETATM 63 HB2 UVR A 4 9.753 -1.945 1.388 1.00 0.00 H HETATM 64 CG UVR A 4 11.741 -1.937 2.135 1.00 0.00 C HETATM 65 HG1 UVR A 4 12.518 -1.187 2.157 1.00 0.00 H HETATM 66 HG2 UVR A 4 12.167 -2.892 1.870 1.00 0.00 H HETATM 67 CD UVR A 4 11.115 -2.042 3.517 1.00 0.00 C HETATM 68 HD1 UVR A 4 10.952 -3.084 3.748 1.00 0.00 H HETATM 69 HD2 UVR A 4 10.171 -1.519 3.516 1.00 0.00 H HETATM 70 CE UVR A 4 12.014 -1.434 4.583 1.00 0.00 C HETATM 71 HE1 UVR A 4 11.509 -1.483 5.536 1.00 0.00 H HETATM 72 HE2 UVR A 4 12.210 -0.403 4.329 1.00 0.00 H HETATM 73 CF UVR A 4 13.339 -2.175 4.685 1.00 0.00 C HETATM 74 HF1 UVR A 4 14.114 -1.481 4.966 1.00 0.00 H HETATM 75 HF2 UVR A 4 13.570 -2.620 3.727 1.00 0.00 H HETATM 76 CX UVR A 4 13.236 -3.255 5.734 1.00 0.00 C HETATM 77 OX UVR A 4 13.397 -2.975 6.922 1.00 0.00 O HETATM 78 CY UVR A 4 12.937 -4.679 5.328 1.00 0.00 C HETATM 79 HY1 UVR A 4 13.859 -5.213 5.161 1.00 0.00 H HETATM 80 HY2 UVR A 4 12.337 -4.681 4.427 1.00 0.00 H HETATM 81 CZ UVR A 4 12.171 -5.377 6.429 1.00 0.00 C HETATM 82 HZ1 UVR A 4 12.662 -5.428 7.389 1.00 0.00 H HETATM 83 HZ2 UVR A 4 11.770 -6.358 6.218 1.00 0.00 H HETATM 84 HZ3 UVR A 4 11.387 -4.800 6.898 1.00 0.00 H HETATM 85 C UVR A 4 9.790 0.269 -0.379 1.00 0.00 C HETATM 86 O UVR A 4 10.336 0.801 -1.345 1.00 0.00 O TER 87 UVR A 4 ENDMDL MODEL 8 ATOM 1 N TRP A 1 8.475 0.267 -0.196 1.00 0.00 N ATOM 2 CA TRP A 1 7.582 0.831 -1.180 1.00 0.00 C ATOM 3 C TRP A 1 6.797 1.995 -0.588 1.00 0.00 C ATOM 4 O TRP A 1 7.012 3.149 -0.957 1.00 0.00 O ATOM 5 CB TRP A 1 6.658 -0.212 -1.730 1.00 0.00 C ATOM 6 CG TRP A 1 6.918 -0.359 -3.177 1.00 0.00 C ATOM 7 CD1 TRP A 1 6.183 0.141 -4.174 1.00 0.00 C ATOM 8 CD2 TRP A 1 8.055 -0.954 -3.768 1.00 0.00 C ATOM 9 NE1 TRP A 1 6.729 -0.202 -5.390 1.00 0.00 N ATOM 10 CE2 TRP A 1 7.900 -0.878 -5.159 1.00 0.00 C ATOM 11 CE3 TRP A 1 9.166 -1.575 -3.239 1.00 0.00 C ATOM 12 CZ2 TRP A 1 8.838 -1.411 -6.039 1.00 0.00 C ATOM 13 CZ3 TRP A 1 10.109 -2.102 -4.101 1.00 0.00 C ATOM 14 CH2 TRP A 1 9.937 -2.023 -5.491 1.00 0.00 C ATOM 15 H1 TRP A 1 8.125 0.114 0.692 1.00 0.00 H ATOM 16 HA TRP A 1 8.172 1.177 -1.998 1.00 0.00 H ATOM 17 HB2 TRP A 1 6.838 -1.160 -1.240 1.00 0.00 H ATOM 18 HB3 TRP A 1 5.631 0.090 -1.593 1.00 0.00 H ATOM 19 HD1 TRP A 1 5.294 0.695 -4.007 1.00 0.00 H ATOM 20 HE1 TRP A 1 6.350 0.009 -6.270 1.00 0.00 H ATOM 21 HE3 TRP A 1 9.305 -1.611 -2.169 1.00 0.00 H ATOM 22 HZ2 TRP A 1 8.716 -1.356 -7.110 1.00 0.00 H ATOM 23 HZ3 TRP A 1 10.987 -2.591 -3.706 1.00 0.00 H ATOM 24 HH2 TRP A 1 10.696 -2.447 -6.132 1.00 0.00 H ATOM 25 N LEU A 2 6.078 1.705 0.492 1.00 0.00 N ATOM 26 CA LEU A 2 5.502 2.742 1.327 1.00 0.00 C ATOM 27 C LEU A 2 6.586 3.397 2.174 1.00 0.00 C ATOM 28 O LEU A 2 7.148 4.420 1.783 1.00 0.00 O ATOM 29 CB LEU A 2 4.407 2.161 2.225 1.00 0.00 C ATOM 30 CG LEU A 2 2.995 2.215 1.642 1.00 0.00 C ATOM 31 CD1 LEU A 2 2.025 1.448 2.526 1.00 0.00 C ATOM 32 CD2 LEU A 2 2.543 3.658 1.475 1.00 0.00 C ATOM 33 H LEU A 2 6.056 0.790 0.808 1.00 0.00 H ATOM 34 HA LEU A 2 5.072 3.474 0.678 1.00 0.00 H ATOM 35 HB2 LEU A 2 4.651 1.129 2.432 1.00 0.00 H ATOM 36 HB3 LEU A 2 4.409 2.707 3.157 1.00 0.00 H ATOM 37 HG LEU A 2 2.997 1.750 0.667 1.00 0.00 H ATOM 38 HD11 LEU A 2 1.748 2.060 3.371 1.00 0.00 H ATOM 39 HD12 LEU A 2 2.495 0.542 2.877 1.00 0.00 H ATOM 40 HD13 LEU A 2 1.141 1.198 1.958 1.00 0.00 H ATOM 41 HD21 LEU A 2 3.408 4.301 1.416 1.00 0.00 H ATOM 42 HD22 LEU A 2 1.938 3.945 2.323 1.00 0.00 H ATOM 43 HD23 LEU A 2 1.962 3.751 0.570 1.00 0.00 H HETATM 44 CG B3A A 3 8.338 2.611 5.258 1.00 0.00 C HETATM 45 CB B3A A 3 8.347 2.948 3.768 1.00 0.00 C HETATM 46 N B3A A 3 7.087 2.634 3.142 1.00 0.00 N HETATM 47 CA B3A A 3 9.668 2.129 3.744 1.00 0.00 C HETATM 48 C B3A A 3 10.187 1.817 2.370 1.00 0.00 C HETATM 49 O B3A A 3 11.064 2.499 1.839 1.00 0.00 O HETATM 50 HG1 B3A A 3 9.274 2.906 5.714 1.00 0.00 H HETATM 51 HG2 B3A A 3 8.182 1.550 5.397 1.00 0.00 H HETATM 52 HG3 B3A A 3 7.530 3.150 5.734 1.00 0.00 H HETATM 53 HB B3A A 3 8.506 3.995 3.726 1.00 0.00 H HETATM 54 H B3A A 3 6.760 1.733 3.238 1.00 0.00 H HETATM 55 HA1 B3A A 3 9.492 1.183 4.237 1.00 0.00 H HETATM 56 HA2 B3A A 3 10.433 2.675 4.275 1.00 0.00 H HETATM 57 N UVR A 4 9.934 0.560 2.017 1.00 0.00 N HETATM 58 HN UVR A 4 9.137 0.134 2.356 1.00 0.00 H HETATM 59 CA UVR A 4 10.602 -0.049 0.892 1.00 0.00 C HETATM 60 HA UVR A 4 11.560 0.415 0.803 1.00 0.00 H HETATM 61 CB UVR A 4 10.782 -1.554 1.120 1.00 0.00 C HETATM 62 HB1 UVR A 4 11.249 -1.701 2.083 1.00 0.00 H HETATM 63 HB2 UVR A 4 11.433 -1.946 0.352 1.00 0.00 H HETATM 64 CG UVR A 4 9.486 -2.350 1.096 1.00 0.00 C HETATM 65 HG1 UVR A 4 9.702 -3.357 0.774 1.00 0.00 H HETATM 66 HG2 UVR A 4 8.801 -1.890 0.402 1.00 0.00 H HETATM 67 CD UVR A 4 8.835 -2.401 2.470 1.00 0.00 C HETATM 68 HD1 UVR A 4 9.315 -1.678 3.114 1.00 0.00 H HETATM 69 HD2 UVR A 4 8.964 -3.391 2.882 1.00 0.00 H HETATM 70 CE UVR A 4 7.349 -2.090 2.397 1.00 0.00 C HETATM 71 HE1 UVR A 4 7.219 -1.103 1.979 1.00 0.00 H HETATM 72 HE2 UVR A 4 6.935 -2.118 3.394 1.00 0.00 H HETATM 73 CF UVR A 4 6.611 -3.096 1.528 1.00 0.00 C HETATM 74 HF1 UVR A 4 7.077 -3.136 0.556 1.00 0.00 H HETATM 75 HF2 UVR A 4 5.579 -2.791 1.431 1.00 0.00 H HETATM 76 CX UVR A 4 6.680 -4.462 2.166 1.00 0.00 C HETATM 77 OX UVR A 4 7.506 -5.284 1.772 1.00 0.00 O HETATM 78 CY UVR A 4 5.733 -4.821 3.288 1.00 0.00 C HETATM 79 HY1 UVR A 4 5.125 -5.663 2.997 1.00 0.00 H HETATM 80 HY2 UVR A 4 5.107 -3.971 3.522 1.00 0.00 H HETATM 81 CZ UVR A 4 6.521 -5.203 4.521 1.00 0.00 C HETATM 82 HZ1 UVR A 4 7.324 -4.534 4.794 1.00 0.00 H HETATM 83 HZ2 UVR A 4 6.905 -6.210 4.580 1.00 0.00 H HETATM 84 HZ3 UVR A 4 6.055 -4.977 5.468 1.00 0.00 H HETATM 85 C UVR A 4 9.795 0.219 -0.377 1.00 0.00 C HETATM 86 O UVR A 4 10.345 0.639 -1.394 1.00 0.00 O TER 87 UVR A 4 ENDMDL MODEL 9 ATOM 1 N TRP A 1 8.479 0.296 -0.188 1.00 0.00 N ATOM 2 CA TRP A 1 7.609 0.873 -1.185 1.00 0.00 C ATOM 3 C TRP A 1 6.789 2.009 -0.588 1.00 0.00 C ATOM 4 O TRP A 1 6.973 3.172 -0.948 1.00 0.00 O ATOM 5 CB TRP A 1 6.719 -0.168 -1.793 1.00 0.00 C ATOM 6 CG TRP A 1 7.028 -0.266 -3.236 1.00 0.00 C ATOM 7 CD1 TRP A 1 6.320 0.257 -4.240 1.00 0.00 C ATOM 8 CD2 TRP A 1 8.191 -0.830 -3.807 1.00 0.00 C ATOM 9 NE1 TRP A 1 6.910 -0.041 -5.448 1.00 0.00 N ATOM 10 CE2 TRP A 1 8.081 -0.712 -5.198 1.00 0.00 C ATOM 11 CE3 TRP A 1 9.291 -1.456 -3.260 1.00 0.00 C ATOM 12 CZ2 TRP A 1 9.053 -1.207 -6.064 1.00 0.00 C ATOM 13 CZ3 TRP A 1 10.269 -1.945 -4.106 1.00 0.00 C ATOM 14 CH2 TRP A 1 10.140 -1.824 -5.500 1.00 0.00 C ATOM 15 H1 TRP A 1 8.124 0.177 0.703 1.00 0.00 H ATOM 16 HA TRP A 1 8.219 1.250 -1.974 1.00 0.00 H ATOM 17 HB2 TRP A 1 6.900 -1.126 -1.326 1.00 0.00 H ATOM 18 HB3 TRP A 1 5.684 0.114 -1.681 1.00 0.00 H ATOM 19 HD1 TRP A 1 5.421 0.796 -4.084 1.00 0.00 H ATOM 20 HE1 TRP A 1 6.558 0.194 -6.332 1.00 0.00 H ATOM 21 HE3 TRP A 1 9.396 -1.523 -2.188 1.00 0.00 H ATOM 22 HZ2 TRP A 1 8.966 -1.119 -7.136 1.00 0.00 H ATOM 23 HZ3 TRP A 1 11.138 -2.438 -3.698 1.00 0.00 H ATOM 24 HH2 TRP A 1 10.925 -2.219 -6.127 1.00 0.00 H ATOM 25 N LEU A 2 6.083 1.694 0.495 1.00 0.00 N ATOM 26 CA LEU A 2 5.489 2.711 1.341 1.00 0.00 C ATOM 27 C LEU A 2 6.568 3.390 2.177 1.00 0.00 C ATOM 28 O LEU A 2 7.114 4.415 1.770 1.00 0.00 O ATOM 29 CB LEU A 2 4.425 2.097 2.252 1.00 0.00 C ATOM 30 CG LEU A 2 3.020 2.023 1.650 1.00 0.00 C ATOM 31 CD1 LEU A 2 2.180 0.987 2.379 1.00 0.00 C ATOM 32 CD2 LEU A 2 2.349 3.387 1.698 1.00 0.00 C ATOM 33 H LEU A 2 6.094 0.779 0.810 1.00 0.00 H ATOM 34 HA LEU A 2 5.032 3.434 0.701 1.00 0.00 H ATOM 35 HB2 LEU A 2 4.737 1.095 2.510 1.00 0.00 H ATOM 36 HB3 LEU A 2 4.372 2.684 3.157 1.00 0.00 H ATOM 37 HG LEU A 2 3.096 1.722 0.614 1.00 0.00 H ATOM 38 HD11 LEU A 2 1.992 1.322 3.389 1.00 0.00 H ATOM 39 HD12 LEU A 2 2.711 0.047 2.406 1.00 0.00 H ATOM 40 HD13 LEU A 2 1.241 0.856 1.862 1.00 0.00 H ATOM 41 HD21 LEU A 2 1.303 3.283 1.449 1.00 0.00 H ATOM 42 HD22 LEU A 2 2.823 4.047 0.987 1.00 0.00 H ATOM 43 HD23 LEU A 2 2.443 3.800 2.692 1.00 0.00 H HETATM 44 CG B3A A 3 8.369 2.661 5.241 1.00 0.00 C HETATM 45 CB B3A A 3 8.357 2.969 3.745 1.00 0.00 C HETATM 46 N B3A A 3 7.090 2.639 3.143 1.00 0.00 N HETATM 47 CA B3A A 3 9.683 2.157 3.718 1.00 0.00 C HETATM 48 C B3A A 3 10.183 1.819 2.343 1.00 0.00 C HETATM 49 O B3A A 3 11.048 2.495 1.785 1.00 0.00 O HETATM 50 HG1 B3A A 3 9.310 2.967 5.679 1.00 0.00 H HETATM 51 HG2 B3A A 3 8.221 1.601 5.402 1.00 0.00 H HETATM 52 HG3 B3A A 3 7.566 3.203 5.719 1.00 0.00 H HETATM 53 HB B3A A 3 8.511 4.016 3.681 1.00 0.00 H HETATM 54 H B3A A 3 6.779 1.733 3.245 1.00 0.00 H HETATM 55 HA1 B3A A 3 9.520 1.221 4.234 1.00 0.00 H HETATM 56 HA2 B3A A 3 10.452 2.719 4.226 1.00 0.00 H HETATM 57 N UVR A 4 9.937 0.553 2.023 1.00 0.00 N HETATM 58 HN UVR A 4 9.151 0.125 2.387 1.00 0.00 H HETATM 59 CA UVR A 4 10.594 -0.080 0.904 1.00 0.00 C HETATM 60 HA UVR A 4 11.562 0.362 0.814 1.00 0.00 H HETATM 61 CB UVR A 4 10.738 -1.585 1.144 1.00 0.00 C HETATM 62 HB1 UVR A 4 11.249 -1.735 2.083 1.00 0.00 H HETATM 63 HB2 UVR A 4 11.333 -2.009 0.350 1.00 0.00 H HETATM 64 CG UVR A 4 9.416 -2.334 1.200 1.00 0.00 C HETATM 65 HG1 UVR A 4 9.538 -3.297 0.727 1.00 0.00 H HETATM 66 HG2 UVR A 4 8.665 -1.767 0.672 1.00 0.00 H HETATM 67 CD UVR A 4 8.954 -2.544 2.633 1.00 0.00 C HETATM 68 HD1 UVR A 4 9.227 -1.679 3.219 1.00 0.00 H HETATM 69 HD2 UVR A 4 9.441 -3.420 3.034 1.00 0.00 H HETATM 70 CE UVR A 4 7.448 -2.738 2.711 1.00 0.00 C HETATM 71 HE1 UVR A 4 6.997 -2.347 1.811 1.00 0.00 H HETATM 72 HE2 UVR A 4 7.069 -2.202 3.568 1.00 0.00 H HETATM 73 CF UVR A 4 7.081 -4.208 2.850 1.00 0.00 C HETATM 74 HF1 UVR A 4 7.827 -4.809 2.352 1.00 0.00 H HETATM 75 HF2 UVR A 4 6.111 -4.375 2.402 1.00 0.00 H HETATM 76 CX UVR A 4 7.039 -4.584 4.311 1.00 0.00 C HETATM 77 OX UVR A 4 8.081 -4.652 4.960 1.00 0.00 O HETATM 78 CY UVR A 4 5.715 -4.878 4.977 1.00 0.00 C HETATM 79 HY1 UVR A 4 4.907 -4.546 4.344 1.00 0.00 H HETATM 80 HY2 UVR A 4 5.670 -4.376 5.934 1.00 0.00 H HETATM 81 CZ UVR A 4 5.571 -6.367 5.196 1.00 0.00 C HETATM 82 HZ1 UVR A 4 5.294 -6.673 6.195 1.00 0.00 H HETATM 83 HZ2 UVR A 4 6.383 -7.003 4.875 1.00 0.00 H HETATM 84 HZ3 UVR A 4 4.652 -6.811 4.842 1.00 0.00 H HETATM 85 C UVR A 4 9.795 0.193 -0.368 1.00 0.00 C HETATM 86 O UVR A 4 10.360 0.570 -1.396 1.00 0.00 O TER 87 UVR A 4 ENDMDL MODEL 10 ATOM 1 N TRP A 1 8.474 0.273 -0.204 1.00 0.00 N ATOM 2 CA TRP A 1 7.598 0.854 -1.193 1.00 0.00 C ATOM 3 C TRP A 1 6.793 1.999 -0.592 1.00 0.00 C ATOM 4 O TRP A 1 6.976 3.158 -0.964 1.00 0.00 O ATOM 5 CB TRP A 1 6.695 -0.182 -1.789 1.00 0.00 C ATOM 6 CG TRP A 1 6.996 -0.296 -3.231 1.00 0.00 C ATOM 7 CD1 TRP A 1 6.286 0.222 -4.236 1.00 0.00 C ATOM 8 CD2 TRP A 1 8.151 -0.874 -3.803 1.00 0.00 C ATOM 9 NE1 TRP A 1 6.867 -0.091 -5.445 1.00 0.00 N ATOM 10 CE2 TRP A 1 8.034 -0.767 -5.196 1.00 0.00 C ATOM 11 CE3 TRP A 1 9.250 -1.501 -3.256 1.00 0.00 C ATOM 12 CZ2 TRP A 1 8.999 -1.277 -6.060 1.00 0.00 C ATOM 13 CZ3 TRP A 1 10.220 -2.005 -4.103 1.00 0.00 C ATOM 14 CH2 TRP A 1 10.086 -1.896 -5.497 1.00 0.00 C ATOM 15 H1 TRP A 1 8.114 0.120 0.679 1.00 0.00 H ATOM 16 HA TRP A 1 8.203 1.223 -1.990 1.00 0.00 H ATOM 17 HB2 TRP A 1 6.868 -1.138 -1.315 1.00 0.00 H ATOM 18 HB3 TRP A 1 5.663 0.111 -1.674 1.00 0.00 H ATOM 19 HD1 TRP A 1 5.390 0.769 -4.082 1.00 0.00 H ATOM 20 HE1 TRP A 1 6.513 0.137 -6.330 1.00 0.00 H ATOM 21 HE3 TRP A 1 9.361 -1.559 -2.184 1.00 0.00 H ATOM 22 HZ2 TRP A 1 8.907 -1.199 -7.134 1.00 0.00 H ATOM 23 HZ3 TRP A 1 11.089 -2.499 -3.694 1.00 0.00 H ATOM 24 HH2 TRP A 1 10.864 -2.303 -6.125 1.00 0.00 H ATOM 25 N LEU A 2 6.094 1.693 0.498 1.00 0.00 N ATOM 26 CA LEU A 2 5.501 2.717 1.337 1.00 0.00 C ATOM 27 C LEU A 2 6.578 3.392 2.178 1.00 0.00 C ATOM 28 O LEU A 2 7.132 4.414 1.771 1.00 0.00 O ATOM 29 CB LEU A 2 4.425 2.111 2.242 1.00 0.00 C ATOM 30 CG LEU A 2 3.077 1.860 1.565 1.00 0.00 C ATOM 31 CD1 LEU A 2 2.261 0.850 2.358 1.00 0.00 C ATOM 32 CD2 LEU A 2 2.309 3.164 1.409 1.00 0.00 C ATOM 33 H LEU A 2 6.101 0.779 0.817 1.00 0.00 H ATOM 34 HA LEU A 2 5.052 3.439 0.691 1.00 0.00 H ATOM 35 HB2 LEU A 2 4.794 1.171 2.625 1.00 0.00 H ATOM 36 HB3 LEU A 2 4.265 2.782 3.074 1.00 0.00 H ATOM 37 HG LEU A 2 3.246 1.452 0.580 1.00 0.00 H ATOM 38 HD11 LEU A 2 2.722 -0.123 2.282 1.00 0.00 H ATOM 39 HD12 LEU A 2 1.258 0.805 1.960 1.00 0.00 H ATOM 40 HD13 LEU A 2 2.223 1.152 3.393 1.00 0.00 H ATOM 41 HD21 LEU A 2 1.686 3.112 0.528 1.00 0.00 H ATOM 42 HD22 LEU A 2 3.005 3.983 1.310 1.00 0.00 H ATOM 43 HD23 LEU A 2 1.688 3.322 2.279 1.00 0.00 H HETATM 44 CG B3A A 3 8.363 2.655 5.254 1.00 0.00 C HETATM 45 CB B3A A 3 8.356 2.968 3.757 1.00 0.00 C HETATM 46 N B3A A 3 7.089 2.643 3.150 1.00 0.00 N HETATM 47 CA B3A A 3 9.678 2.151 3.732 1.00 0.00 C HETATM 48 C B3A A 3 10.182 1.819 2.357 1.00 0.00 C HETATM 49 O B3A A 3 11.055 2.493 1.808 1.00 0.00 O HETATM 50 HG1 B3A A 3 8.210 1.596 5.410 1.00 0.00 H HETATM 51 HG2 B3A A 3 7.561 3.200 5.729 1.00 0.00 H HETATM 52 HG3 B3A A 3 9.303 2.957 5.694 1.00 0.00 H HETATM 53 HB B3A A 3 8.514 4.015 3.697 1.00 0.00 H HETATM 54 H B3A A 3 6.772 1.739 3.254 1.00 0.00 H HETATM 55 HA1 B3A A 3 9.508 1.211 4.240 1.00 0.00 H HETATM 56 HA2 B3A A 3 10.448 2.705 4.246 1.00 0.00 H HETATM 57 N UVR A 4 9.926 0.558 2.021 1.00 0.00 N HETATM 58 HN UVR A 4 9.130 0.138 2.374 1.00 0.00 H HETATM 59 CA UVR A 4 10.585 -0.071 0.902 1.00 0.00 C HETATM 60 HA UVR A 4 11.559 0.360 0.821 1.00 0.00 H HETATM 61 CB UVR A 4 10.707 -1.579 1.128 1.00 0.00 C HETATM 62 HB1 UVR A 4 11.190 -1.748 2.079 1.00 0.00 H HETATM 63 HB2 UVR A 4 11.319 -2.000 0.345 1.00 0.00 H HETATM 64 CG UVR A 4 9.373 -2.307 1.136 1.00 0.00 C HETATM 65 HG1 UVR A 4 9.173 -2.685 0.143 1.00 0.00 H HETATM 66 HG2 UVR A 4 8.597 -1.615 1.424 1.00 0.00 H HETATM 67 CD UVR A 4 9.381 -3.471 2.115 1.00 0.00 C HETATM 68 HD1 UVR A 4 10.197 -4.133 1.866 1.00 0.00 H HETATM 69 HD2 UVR A 4 8.445 -4.004 2.034 1.00 0.00 H HETATM 70 CE UVR A 4 9.553 -2.992 3.549 1.00 0.00 C HETATM 71 HE1 UVR A 4 9.358 -1.930 3.589 1.00 0.00 H HETATM 72 HE2 UVR A 4 10.567 -3.186 3.864 1.00 0.00 H HETATM 73 CF UVR A 4 8.599 -3.707 4.494 1.00 0.00 C HETATM 74 HF1 UVR A 4 9.003 -3.682 5.493 1.00 0.00 H HETATM 75 HF2 UVR A 4 8.480 -4.731 4.169 1.00 0.00 H HETATM 76 CX UVR A 4 7.260 -3.011 4.485 1.00 0.00 C HETATM 77 OX UVR A 4 6.267 -3.593 4.048 1.00 0.00 O HETATM 78 CY UVR A 4 7.138 -1.600 5.010 1.00 0.00 C HETATM 79 HY1 UVR A 4 8.087 -1.095 4.922 1.00 0.00 H HETATM 80 HY2 UVR A 4 6.823 -1.623 6.045 1.00 0.00 H HETATM 81 CZ UVR A 4 6.111 -0.839 4.202 1.00 0.00 C HETATM 82 HZ1 UVR A 4 6.224 -0.886 3.129 1.00 0.00 H HETATM 83 HZ2 UVR A 4 5.932 0.194 4.465 1.00 0.00 H HETATM 84 HZ3 UVR A 4 5.149 -1.316 4.089 1.00 0.00 H HETATM 85 C UVR A 4 9.795 0.221 -0.371 1.00 0.00 C HETATM 86 O UVR A 4 10.360 0.653 -1.376 1.00 0.00 O TER 87 UVR A 4 ENDMDL MODEL 11 ATOM 1 N TRP A 1 8.467 0.216 -0.237 1.00 0.00 N ATOM 2 CA TRP A 1 7.566 0.803 -1.200 1.00 0.00 C ATOM 3 C TRP A 1 6.809 1.978 -0.590 1.00 0.00 C ATOM 4 O TRP A 1 7.023 3.129 -0.970 1.00 0.00 O ATOM 5 CB TRP A 1 6.618 -0.220 -1.743 1.00 0.00 C ATOM 6 CG TRP A 1 6.858 -0.361 -3.195 1.00 0.00 C ATOM 7 CD1 TRP A 1 6.126 0.166 -4.179 1.00 0.00 C ATOM 8 CD2 TRP A 1 7.974 -0.978 -3.802 1.00 0.00 C ATOM 9 NE1 TRP A 1 6.651 -0.180 -5.405 1.00 0.00 N ATOM 10 CE2 TRP A 1 7.807 -0.886 -5.190 1.00 0.00 C ATOM 11 CE3 TRP A 1 9.074 -1.629 -3.289 1.00 0.00 C ATOM 12 CZ2 TRP A 1 8.723 -1.435 -6.084 1.00 0.00 C ATOM 13 CZ3 TRP A 1 9.997 -2.172 -4.164 1.00 0.00 C ATOM 14 CH2 TRP A 1 9.812 -2.077 -5.552 1.00 0.00 C ATOM 15 H1 TRP A 1 8.106 -0.036 0.623 1.00 0.00 H ATOM 16 HA TRP A 1 8.148 1.144 -2.025 1.00 0.00 H ATOM 17 HB2 TRP A 1 6.787 -1.173 -1.262 1.00 0.00 H ATOM 18 HB3 TRP A 1 5.597 0.099 -1.593 1.00 0.00 H ATOM 19 HD1 TRP A 1 5.253 0.740 -3.999 1.00 0.00 H ATOM 20 HE1 TRP A 1 6.270 0.048 -6.279 1.00 0.00 H ATOM 21 HE3 TRP A 1 9.222 -1.676 -2.221 1.00 0.00 H ATOM 22 HZ2 TRP A 1 8.593 -1.368 -7.154 1.00 0.00 H ATOM 23 HZ3 TRP A 1 10.865 -2.686 -3.781 1.00 0.00 H ATOM 24 HH2 TRP A 1 10.555 -2.515 -6.203 1.00 0.00 H ATOM 25 N LEU A 2 6.099 1.698 0.499 1.00 0.00 N ATOM 26 CA LEU A 2 5.524 2.741 1.326 1.00 0.00 C ATOM 27 C LEU A 2 6.610 3.398 2.170 1.00 0.00 C ATOM 28 O LEU A 2 7.192 4.402 1.760 1.00 0.00 O ATOM 29 CB LEU A 2 4.431 2.166 2.231 1.00 0.00 C ATOM 30 CG LEU A 2 3.118 1.827 1.524 1.00 0.00 C ATOM 31 CD1 LEU A 2 3.130 0.386 1.039 1.00 0.00 C ATOM 32 CD2 LEU A 2 1.936 2.069 2.451 1.00 0.00 C ATOM 33 H LEU A 2 6.072 0.784 0.820 1.00 0.00 H ATOM 34 HA LEU A 2 5.095 3.469 0.673 1.00 0.00 H ATOM 35 HB2 LEU A 2 4.812 1.267 2.692 1.00 0.00 H ATOM 36 HB3 LEU A 2 4.220 2.887 3.007 1.00 0.00 H ATOM 37 HG LEU A 2 3.005 2.467 0.661 1.00 0.00 H ATOM 38 HD11 LEU A 2 3.667 -0.228 1.748 1.00 0.00 H ATOM 39 HD12 LEU A 2 3.617 0.333 0.077 1.00 0.00 H ATOM 40 HD13 LEU A 2 2.116 0.027 0.949 1.00 0.00 H ATOM 41 HD21 LEU A 2 1.552 3.066 2.292 1.00 0.00 H ATOM 42 HD22 LEU A 2 2.257 1.967 3.477 1.00 0.00 H ATOM 43 HD23 LEU A 2 1.161 1.347 2.243 1.00 0.00 H HETATM 44 CG B3A A 3 8.327 2.620 5.279 1.00 0.00 C HETATM 45 CB B3A A 3 8.347 2.954 3.788 1.00 0.00 C HETATM 46 N B3A A 3 7.089 2.648 3.157 1.00 0.00 N HETATM 47 CA B3A A 3 9.660 2.122 3.772 1.00 0.00 C HETATM 48 C B3A A 3 10.187 1.811 2.402 1.00 0.00 C HETATM 49 O B3A A 3 11.081 2.484 1.889 1.00 0.00 O HETATM 50 HG1 B3A A 3 9.262 2.910 5.740 1.00 0.00 H HETATM 51 HG2 B3A A 3 8.166 1.560 5.418 1.00 0.00 H HETATM 52 HG3 B3A A 3 7.519 3.162 5.750 1.00 0.00 H HETATM 53 HB B3A A 3 8.515 4.000 3.745 1.00 0.00 H HETATM 54 H B3A A 3 6.750 1.751 3.263 1.00 0.00 H HETATM 55 HA1 B3A A 3 9.470 1.176 4.259 1.00 0.00 H HETATM 56 HA2 B3A A 3 10.425 2.657 4.312 1.00 0.00 H HETATM 57 N UVR A 4 9.907 0.571 2.016 1.00 0.00 N HETATM 58 HN UVR A 4 9.083 0.168 2.321 1.00 0.00 H HETATM 59 CA UVR A 4 10.577 -0.032 0.887 1.00 0.00 C HETATM 60 HA UVR A 4 11.548 0.407 0.820 1.00 0.00 H HETATM 61 CB UVR A 4 10.706 -1.545 1.078 1.00 0.00 C HETATM 62 HB1 UVR A 4 10.667 -2.022 0.110 1.00 0.00 H HETATM 63 HB2 UVR A 4 9.876 -1.893 1.674 1.00 0.00 H HETATM 64 CG UVR A 4 11.996 -1.963 1.765 1.00 0.00 C HETATM 65 HG1 UVR A 4 11.754 -2.594 2.609 1.00 0.00 H HETATM 66 HG2 UVR A 4 12.512 -1.080 2.111 1.00 0.00 H HETATM 67 CD UVR A 4 12.912 -2.730 0.823 1.00 0.00 C HETATM 68 HD1 UVR A 4 12.326 -3.111 -0.001 1.00 0.00 H HETATM 69 HD2 UVR A 4 13.358 -3.553 1.360 1.00 0.00 H HETATM 70 CE UVR A 4 14.018 -1.843 0.276 1.00 0.00 C HETATM 71 HE1 UVR A 4 14.812 -1.783 1.006 1.00 0.00 H HETATM 72 HE2 UVR A 4 13.619 -0.857 0.095 1.00 0.00 H HETATM 73 CF UVR A 4 14.583 -2.393 -1.025 1.00 0.00 C HETATM 74 HF1 UVR A 4 14.557 -3.471 -0.996 1.00 0.00 H HETATM 75 HF2 UVR A 4 15.603 -2.052 -1.140 1.00 0.00 H HETATM 76 CX UVR A 4 13.750 -1.908 -2.187 1.00 0.00 C HETATM 77 OX UVR A 4 13.116 -0.858 -2.095 1.00 0.00 O HETATM 78 CY UVR A 4 13.695 -2.714 -3.464 1.00 0.00 C HETATM 79 HY1 UVR A 4 12.757 -3.242 -3.523 1.00 0.00 H HETATM 80 HY2 UVR A 4 14.520 -3.413 -3.490 1.00 0.00 H HETATM 81 CZ UVR A 4 13.798 -1.789 -4.657 1.00 0.00 C HETATM 82 HZ1 UVR A 4 14.625 -1.094 -4.646 1.00 0.00 H HETATM 83 HZ2 UVR A 4 12.915 -1.239 -4.943 1.00 0.00 H HETATM 84 HZ3 UVR A 4 14.218 -2.221 -5.554 1.00 0.00 H HETATM 85 C UVR A 4 9.789 0.280 -0.379 1.00 0.00 C HETATM 86 O UVR A 4 10.332 0.831 -1.335 1.00 0.00 O TER 87 UVR A 4 ENDMDL MODEL 12 ATOM 1 N TRP A 1 8.469 0.238 -0.228 1.00 0.00 N ATOM 2 CA TRP A 1 7.580 0.827 -1.202 1.00 0.00 C ATOM 3 C TRP A 1 6.799 1.985 -0.593 1.00 0.00 C ATOM 4 O TRP A 1 6.991 3.140 -0.974 1.00 0.00 O ATOM 5 CB TRP A 1 6.654 -0.201 -1.775 1.00 0.00 C ATOM 6 CG TRP A 1 6.933 -0.328 -3.222 1.00 0.00 C ATOM 7 CD1 TRP A 1 7.633 -1.299 -3.816 1.00 0.00 C ATOM 8 CD2 TRP A 1 6.611 0.614 -4.223 1.00 0.00 C ATOM 9 NE1 TRP A 1 7.682 -1.089 -5.176 1.00 0.00 N ATOM 10 CE2 TRP A 1 7.059 0.101 -5.449 1.00 0.00 C ATOM 11 CE3 TRP A 1 5.952 1.823 -4.190 1.00 0.00 C ATOM 12 CZ2 TRP A 1 6.860 0.775 -6.651 1.00 0.00 C ATOM 13 CZ3 TRP A 1 5.756 2.509 -5.375 1.00 0.00 C ATOM 14 CH2 TRP A 1 6.204 1.978 -6.596 1.00 0.00 C ATOM 15 H1 TRP A 1 8.103 0.012 0.637 1.00 0.00 H ATOM 16 HA TRP A 1 8.175 1.184 -2.010 1.00 0.00 H ATOM 17 HB2 TRP A 1 6.821 -1.156 -1.297 1.00 0.00 H ATOM 18 HB3 TRP A 1 5.628 0.108 -1.648 1.00 0.00 H ATOM 19 HD1 TRP A 1 8.053 -2.111 -3.279 1.00 0.00 H ATOM 20 HE1 TRP A 1 8.100 -1.684 -5.834 1.00 0.00 H ATOM 21 HE3 TRP A 1 5.633 2.238 -3.247 1.00 0.00 H ATOM 22 HZ2 TRP A 1 7.200 0.377 -7.595 1.00 0.00 H ATOM 23 HZ3 TRP A 1 5.243 3.459 -5.371 1.00 0.00 H ATOM 24 HH2 TRP A 1 6.032 2.544 -7.500 1.00 0.00 H ATOM 25 N LEU A 2 6.100 1.692 0.499 1.00 0.00 N ATOM 26 CA LEU A 2 5.516 2.726 1.333 1.00 0.00 C ATOM 27 C LEU A 2 6.598 3.395 2.172 1.00 0.00 C ATOM 28 O LEU A 2 7.168 4.404 1.760 1.00 0.00 O ATOM 29 CB LEU A 2 4.433 2.137 2.239 1.00 0.00 C ATOM 30 CG LEU A 2 3.183 1.634 1.514 1.00 0.00 C ATOM 31 CD1 LEU A 2 3.314 0.154 1.188 1.00 0.00 C ATOM 32 CD2 LEU A 2 1.941 1.888 2.354 1.00 0.00 C ATOM 33 H LEU A 2 6.096 0.780 0.823 1.00 0.00 H ATOM 34 HA LEU A 2 5.076 3.451 0.681 1.00 0.00 H ATOM 35 HB2 LEU A 2 4.863 1.312 2.787 1.00 0.00 H ATOM 36 HB3 LEU A 2 4.130 2.898 2.943 1.00 0.00 H ATOM 37 HG LEU A 2 3.074 2.171 0.582 1.00 0.00 H ATOM 38 HD11 LEU A 2 2.898 -0.038 0.210 1.00 0.00 H ATOM 39 HD12 LEU A 2 2.780 -0.426 1.927 1.00 0.00 H ATOM 40 HD13 LEU A 2 4.357 -0.126 1.196 1.00 0.00 H ATOM 41 HD21 LEU A 2 2.196 1.831 3.401 1.00 0.00 H ATOM 42 HD22 LEU A 2 1.192 1.144 2.124 1.00 0.00 H ATOM 43 HD23 LEU A 2 1.551 2.871 2.131 1.00 0.00 H HETATM 44 CG B3A A 3 8.346 2.647 5.269 1.00 0.00 C HETATM 45 CB B3A A 3 8.354 2.965 3.774 1.00 0.00 C HETATM 46 N B3A A 3 7.091 2.648 3.155 1.00 0.00 N HETATM 47 CA B3A A 3 9.670 2.137 3.758 1.00 0.00 C HETATM 48 C B3A A 3 10.188 1.812 2.386 1.00 0.00 C HETATM 49 O B3A A 3 11.073 2.483 1.857 1.00 0.00 O HETATM 50 HG1 B3A A 3 9.284 2.943 5.719 1.00 0.00 H HETATM 51 HG2 B3A A 3 8.188 1.587 5.420 1.00 0.00 H HETATM 52 HG3 B3A A 3 7.541 3.192 5.739 1.00 0.00 H HETATM 53 HB B3A A 3 8.517 4.011 3.718 1.00 0.00 H HETATM 54 H B3A A 3 6.762 1.748 3.263 1.00 0.00 H HETATM 55 HA1 B3A A 3 9.487 1.196 4.257 1.00 0.00 H HETATM 56 HA2 B3A A 3 10.438 2.682 4.285 1.00 0.00 H HETATM 57 N UVR A 4 9.911 0.566 2.021 1.00 0.00 N HETATM 58 HN UVR A 4 9.094 0.161 2.341 1.00 0.00 H HETATM 59 CA UVR A 4 10.574 -0.051 0.896 1.00 0.00 C HETATM 60 HA UVR A 4 11.551 0.375 0.828 1.00 0.00 H HETATM 61 CB UVR A 4 10.685 -1.565 1.096 1.00 0.00 C HETATM 62 HB1 UVR A 4 10.439 -2.058 0.167 1.00 0.00 H HETATM 63 HB2 UVR A 4 9.978 -1.869 1.853 1.00 0.00 H HETATM 64 CG UVR A 4 12.070 -2.022 1.526 1.00 0.00 C HETATM 65 HG1 UVR A 4 12.010 -2.424 2.528 1.00 0.00 H HETATM 66 HG2 UVR A 4 12.737 -1.172 1.518 1.00 0.00 H HETATM 67 CD UVR A 4 12.624 -3.090 0.596 1.00 0.00 C HETATM 68 HD1 UVR A 4 11.811 -3.719 0.264 1.00 0.00 H HETATM 69 HD2 UVR A 4 13.344 -3.685 1.136 1.00 0.00 H HETATM 70 CE UVR A 4 13.303 -2.476 -0.618 1.00 0.00 C HETATM 71 HE1 UVR A 4 14.217 -3.015 -0.817 1.00 0.00 H HETATM 72 HE2 UVR A 4 13.532 -1.442 -0.406 1.00 0.00 H HETATM 73 CF UVR A 4 12.411 -2.539 -1.848 1.00 0.00 C HETATM 74 HF1 UVR A 4 12.651 -1.719 -2.506 1.00 0.00 H HETATM 75 HF2 UVR A 4 11.376 -2.475 -1.540 1.00 0.00 H HETATM 76 CX UVR A 4 12.644 -3.841 -2.575 1.00 0.00 C HETATM 77 OX UVR A 4 13.791 -4.213 -2.818 1.00 0.00 O HETATM 78 CY UVR A 4 11.468 -4.686 -3.006 1.00 0.00 C HETATM 79 HY1 UVR A 4 11.452 -4.767 -4.081 1.00 0.00 H HETATM 80 HY2 UVR A 4 10.551 -4.239 -2.650 1.00 0.00 H HETATM 81 CZ UVR A 4 11.595 -6.076 -2.422 1.00 0.00 C HETATM 82 HZ1 UVR A 4 10.701 -6.483 -1.973 1.00 0.00 H HETATM 83 HZ2 UVR A 4 12.414 -6.263 -1.743 1.00 0.00 H HETATM 84 HZ3 UVR A 4 11.568 -6.891 -3.130 1.00 0.00 H HETATM 85 C UVR A 4 9.792 0.265 -0.373 1.00 0.00 C HETATM 86 O UVR A 4 10.349 0.784 -1.341 1.00 0.00 O TER 87 UVR A 4 ENDMDL MODEL 13 ATOM 1 N TRP A 1 8.477 0.283 -0.192 1.00 0.00 N ATOM 2 CA TRP A 1 7.606 0.867 -1.183 1.00 0.00 C ATOM 3 C TRP A 1 6.796 2.009 -0.581 1.00 0.00 C ATOM 4 O TRP A 1 6.984 3.171 -0.943 1.00 0.00 O ATOM 5 CB TRP A 1 6.707 -0.164 -1.790 1.00 0.00 C ATOM 6 CG TRP A 1 7.002 -0.254 -3.235 1.00 0.00 C ATOM 7 CD1 TRP A 1 7.718 -1.202 -3.845 1.00 0.00 C ATOM 8 CD2 TRP A 1 6.683 0.711 -4.217 1.00 0.00 C ATOM 9 NE1 TRP A 1 7.782 -0.958 -5.200 1.00 0.00 N ATOM 10 CE2 TRP A 1 7.150 0.233 -5.450 1.00 0.00 C ATOM 11 CE3 TRP A 1 6.012 1.914 -4.163 1.00 0.00 C ATOM 12 CZ2 TRP A 1 6.959 0.936 -6.637 1.00 0.00 C ATOM 13 CZ3 TRP A 1 5.823 2.626 -5.331 1.00 0.00 C ATOM 14 CH2 TRP A 1 6.290 2.130 -6.560 1.00 0.00 C ATOM 15 H1 TRP A 1 8.121 0.150 0.696 1.00 0.00 H ATOM 16 HA TRP A 1 8.215 1.242 -1.973 1.00 0.00 H ATOM 17 HB2 TRP A 1 6.887 -1.127 -1.332 1.00 0.00 H ATOM 18 HB3 TRP A 1 5.673 0.120 -1.666 1.00 0.00 H ATOM 19 HD1 TRP A 1 8.139 -2.025 -3.324 1.00 0.00 H ATOM 20 HE1 TRP A 1 8.213 -1.532 -5.867 1.00 0.00 H ATOM 21 HE3 TRP A 1 5.676 2.301 -3.213 1.00 0.00 H ATOM 22 HZ2 TRP A 1 7.313 0.565 -7.587 1.00 0.00 H ATOM 23 HZ3 TRP A 1 5.301 3.571 -5.309 1.00 0.00 H ATOM 24 HH2 TRP A 1 6.123 2.717 -7.452 1.00 0.00 H ATOM 25 N LEU A 2 6.083 1.699 0.498 1.00 0.00 N ATOM 26 CA LEU A 2 5.484 2.720 1.336 1.00 0.00 C ATOM 27 C LEU A 2 6.556 3.396 2.186 1.00 0.00 C ATOM 28 O LEU A 2 7.085 4.439 1.802 1.00 0.00 O ATOM 29 CB LEU A 2 4.399 2.115 2.231 1.00 0.00 C ATOM 30 CG LEU A 2 3.389 1.223 1.511 1.00 0.00 C ATOM 31 CD1 LEU A 2 3.884 -0.215 1.464 1.00 0.00 C ATOM 32 CD2 LEU A 2 2.031 1.298 2.192 1.00 0.00 C ATOM 33 H LEU A 2 6.081 0.782 0.810 1.00 0.00 H ATOM 34 HA LEU A 2 5.042 3.445 0.688 1.00 0.00 H ATOM 35 HB2 LEU A 2 4.881 1.530 3.000 1.00 0.00 H ATOM 36 HB3 LEU A 2 3.860 2.923 2.703 1.00 0.00 H ATOM 37 HG LEU A 2 3.273 1.569 0.493 1.00 0.00 H ATOM 38 HD11 LEU A 2 3.041 -0.888 1.506 1.00 0.00 H ATOM 39 HD12 LEU A 2 4.535 -0.398 2.306 1.00 0.00 H ATOM 40 HD13 LEU A 2 4.428 -0.378 0.546 1.00 0.00 H ATOM 41 HD21 LEU A 2 2.133 1.019 3.230 1.00 0.00 H ATOM 42 HD22 LEU A 2 1.346 0.620 1.704 1.00 0.00 H ATOM 43 HD23 LEU A 2 1.650 2.307 2.126 1.00 0.00 H HETATM 44 CG B3A A 3 8.365 2.666 5.235 1.00 0.00 C HETATM 45 CB B3A A 3 8.357 2.968 3.738 1.00 0.00 C HETATM 46 N B3A A 3 7.094 2.631 3.132 1.00 0.00 N HETATM 47 CA B3A A 3 9.685 2.160 3.720 1.00 0.00 C HETATM 48 C B3A A 3 10.190 1.817 2.348 1.00 0.00 C HETATM 49 O B3A A 3 11.055 2.491 1.789 1.00 0.00 O HETATM 50 HG1 B3A A 3 8.217 1.607 5.400 1.00 0.00 H HETATM 51 HG2 B3A A 3 7.560 3.210 5.708 1.00 0.00 H HETATM 52 HG3 B3A A 3 9.305 2.977 5.675 1.00 0.00 H HETATM 53 HB B3A A 3 8.509 4.015 3.669 1.00 0.00 H HETATM 54 H B3A A 3 6.800 1.717 3.211 1.00 0.00 H HETATM 55 HA1 B3A A 3 9.524 1.226 4.239 1.00 0.00 H HETATM 56 HA2 B3A A 3 10.452 2.726 4.227 1.00 0.00 H HETATM 57 N UVR A 4 9.937 0.553 2.024 1.00 0.00 N HETATM 58 HN UVR A 4 9.143 0.131 2.378 1.00 0.00 H HETATM 59 CA UVR A 4 10.593 -0.079 0.903 1.00 0.00 C HETATM 60 HA UVR A 4 11.566 0.356 0.816 1.00 0.00 H HETATM 61 CB UVR A 4 10.726 -1.587 1.136 1.00 0.00 C HETATM 62 HB1 UVR A 4 11.201 -1.748 2.092 1.00 0.00 H HETATM 63 HB2 UVR A 4 11.349 -2.005 0.359 1.00 0.00 H HETATM 64 CG UVR A 4 9.398 -2.329 1.132 1.00 0.00 C HETATM 65 HG1 UVR A 4 9.263 -2.800 0.170 1.00 0.00 H HETATM 66 HG2 UVR A 4 8.602 -1.622 1.306 1.00 0.00 H HETATM 67 CD UVR A 4 9.353 -3.395 2.215 1.00 0.00 C HETATM 68 HD1 UVR A 4 8.384 -3.873 2.195 1.00 0.00 H HETATM 69 HD2 UVR A 4 9.504 -2.926 3.176 1.00 0.00 H HETATM 70 CE UVR A 4 10.429 -4.448 2.007 1.00 0.00 C HETATM 71 HE1 UVR A 4 11.297 -3.979 1.565 1.00 0.00 H HETATM 72 HE2 UVR A 4 10.050 -5.209 1.342 1.00 0.00 H HETATM 73 CF UVR A 4 10.832 -5.099 3.321 1.00 0.00 C HETATM 74 HF1 UVR A 4 11.141 -4.334 4.017 1.00 0.00 H HETATM 75 HF2 UVR A 4 11.648 -5.786 3.140 1.00 0.00 H HETATM 76 CX UVR A 4 9.656 -5.848 3.897 1.00 0.00 C HETATM 77 OX UVR A 4 9.336 -5.680 5.073 1.00 0.00 O HETATM 78 CY UVR A 4 8.872 -6.804 3.030 1.00 0.00 C HETATM 79 HY1 UVR A 4 8.360 -6.257 2.254 1.00 0.00 H HETATM 80 HY2 UVR A 4 8.159 -7.345 3.638 1.00 0.00 H HETATM 81 CZ UVR A 4 9.812 -7.794 2.379 1.00 0.00 C HETATM 82 HZ1 UVR A 4 9.672 -8.830 2.653 1.00 0.00 H HETATM 83 HZ2 UVR A 4 10.870 -7.586 2.426 1.00 0.00 H HETATM 84 HZ3 UVR A 4 9.579 -8.066 1.361 1.00 0.00 H HETATM 85 C UVR A 4 9.797 0.203 -0.368 1.00 0.00 C HETATM 86 O UVR A 4 10.360 0.612 -1.384 1.00 0.00 O TER 87 UVR A 4 ENDMDL MODEL 14 ATOM 1 N TRP A 1 8.484 0.313 -0.178 1.00 0.00 N ATOM 2 CA TRP A 1 7.618 0.889 -1.179 1.00 0.00 C ATOM 3 C TRP A 1 6.784 2.016 -0.583 1.00 0.00 C ATOM 4 O TRP A 1 6.951 3.180 -0.950 1.00 0.00 O ATOM 5 CB TRP A 1 6.743 -0.155 -1.800 1.00 0.00 C ATOM 6 CG TRP A 1 7.073 -0.251 -3.238 1.00 0.00 C ATOM 7 CD1 TRP A 1 7.820 -1.191 -3.823 1.00 0.00 C ATOM 8 CD2 TRP A 1 6.759 0.700 -4.234 1.00 0.00 C ATOM 9 NE1 TRP A 1 7.910 -0.958 -5.177 1.00 0.00 N ATOM 10 CE2 TRP A 1 7.262 0.220 -5.452 1.00 0.00 C ATOM 11 CE3 TRP A 1 6.066 1.890 -4.205 1.00 0.00 C ATOM 12 CZ2 TRP A 1 7.085 0.909 -6.649 1.00 0.00 C ATOM 13 CZ3 TRP A 1 5.890 2.589 -5.384 1.00 0.00 C ATOM 14 CH2 TRP A 1 6.393 2.092 -6.597 1.00 0.00 C ATOM 15 H1 TRP A 1 8.129 0.205 0.716 1.00 0.00 H ATOM 16 HA TRP A 1 8.233 1.275 -1.960 1.00 0.00 H ATOM 17 HB2 TRP A 1 6.921 -1.114 -1.331 1.00 0.00 H ATOM 18 HB3 TRP A 1 5.705 0.121 -1.702 1.00 0.00 H ATOM 19 HD1 TRP A 1 8.243 -2.001 -3.285 1.00 0.00 H ATOM 20 HE1 TRP A 1 8.365 -1.529 -5.830 1.00 0.00 H ATOM 21 HE3 TRP A 1 5.703 2.278 -3.266 1.00 0.00 H ATOM 22 HZ2 TRP A 1 7.467 0.536 -7.588 1.00 0.00 H ATOM 23 HZ3 TRP A 1 5.351 3.525 -5.382 1.00 0.00 H ATOM 24 HH2 TRP A 1 6.236 2.668 -7.497 1.00 0.00 H ATOM 25 N LEU A 2 6.084 1.697 0.501 1.00 0.00 N ATOM 26 CA LEU A 2 5.473 2.709 1.340 1.00 0.00 C ATOM 27 C LEU A 2 6.538 3.395 2.191 1.00 0.00 C ATOM 28 O LEU A 2 7.044 4.452 1.816 1.00 0.00 O ATOM 29 CB LEU A 2 4.395 2.091 2.235 1.00 0.00 C ATOM 30 CG LEU A 2 3.462 1.103 1.534 1.00 0.00 C ATOM 31 CD1 LEU A 2 4.011 -0.312 1.632 1.00 0.00 C ATOM 32 CD2 LEU A 2 2.064 1.176 2.132 1.00 0.00 C ATOM 33 H LEU A 2 6.106 0.783 0.820 1.00 0.00 H ATOM 34 HA LEU A 2 5.023 3.431 0.693 1.00 0.00 H ATOM 35 HB2 LEU A 2 4.884 1.577 3.049 1.00 0.00 H ATOM 36 HB3 LEU A 2 3.795 2.890 2.644 1.00 0.00 H ATOM 37 HG LEU A 2 3.393 1.362 0.487 1.00 0.00 H ATOM 38 HD11 LEU A 2 3.193 -1.013 1.705 1.00 0.00 H ATOM 39 HD12 LEU A 2 4.636 -0.395 2.509 1.00 0.00 H ATOM 40 HD13 LEU A 2 4.596 -0.532 0.751 1.00 0.00 H ATOM 41 HD21 LEU A 2 1.915 2.146 2.582 1.00 0.00 H ATOM 42 HD22 LEU A 2 1.954 0.408 2.883 1.00 0.00 H ATOM 43 HD23 LEU A 2 1.331 1.025 1.352 1.00 0.00 H HETATM 44 CG B3A A 3 8.377 2.690 5.220 1.00 0.00 C HETATM 45 CB B3A A 3 8.362 2.976 3.718 1.00 0.00 C HETATM 46 N B3A A 3 7.097 2.627 3.121 1.00 0.00 N HETATM 47 CA B3A A 3 9.694 2.175 3.701 1.00 0.00 C HETATM 48 C B3A A 3 10.191 1.815 2.331 1.00 0.00 C HETATM 49 O B3A A 3 11.046 2.488 1.754 1.00 0.00 O HETATM 50 HG1 B3A A 3 9.318 3.007 5.650 1.00 0.00 H HETATM 51 HG2 B3A A 3 8.236 1.632 5.396 1.00 0.00 H HETATM 52 HG3 B3A A 3 7.572 3.236 5.689 1.00 0.00 H HETATM 53 HB B3A A 3 8.508 4.022 3.638 1.00 0.00 H HETATM 54 H B3A A 3 6.819 1.707 3.193 1.00 0.00 H HETATM 55 HA1 B3A A 3 9.543 1.247 4.235 1.00 0.00 H HETATM 56 HA2 B3A A 3 10.462 2.752 4.194 1.00 0.00 H HETATM 57 N UVR A 4 9.949 0.544 2.029 1.00 0.00 N HETATM 58 HN UVR A 4 9.166 0.117 2.405 1.00 0.00 H HETATM 59 CA UVR A 4 10.595 -0.099 0.910 1.00 0.00 C HETATM 60 HA UVR A 4 11.571 0.326 0.818 1.00 0.00 H HETATM 61 CB UVR A 4 10.713 -1.605 1.149 1.00 0.00 C HETATM 62 HB1 UVR A 4 11.242 -1.766 2.076 1.00 0.00 H HETATM 63 HB2 UVR A 4 11.279 -2.044 0.342 1.00 0.00 H HETATM 64 CG UVR A 4 9.374 -2.324 1.236 1.00 0.00 C HETATM 65 HG1 UVR A 4 8.628 -1.739 0.721 1.00 0.00 H HETATM 66 HG2 UVR A 4 9.099 -2.424 2.276 1.00 0.00 H HETATM 67 CD UVR A 4 9.439 -3.708 0.608 1.00 0.00 C HETATM 68 HD1 UVR A 4 9.079 -4.433 1.324 1.00 0.00 H HETATM 69 HD2 UVR A 4 10.465 -3.930 0.353 1.00 0.00 H HETATM 70 CE UVR A 4 8.591 -3.791 -0.650 1.00 0.00 C HETATM 71 HE1 UVR A 4 9.054 -4.479 -1.341 1.00 0.00 H HETATM 72 HE2 UVR A 4 8.534 -2.811 -1.099 1.00 0.00 H HETATM 73 CF UVR A 4 7.182 -4.273 -0.342 1.00 0.00 C HETATM 74 HF1 UVR A 4 6.706 -3.576 0.330 1.00 0.00 H HETATM 75 HF2 UVR A 4 7.236 -5.251 0.118 1.00 0.00 H HETATM 76 CX UVR A 4 6.382 -4.356 -1.619 1.00 0.00 C HETATM 77 OX UVR A 4 5.373 -3.667 -1.758 1.00 0.00 O HETATM 78 CY UVR A 4 6.822 -5.285 -2.726 1.00 0.00 C HETATM 79 HY1 UVR A 4 6.343 -6.245 -2.608 1.00 0.00 H HETATM 80 HY2 UVR A 4 7.897 -5.399 -2.699 1.00 0.00 H HETATM 81 CZ UVR A 4 6.422 -4.711 -4.066 1.00 0.00 C HETATM 82 HZ1 UVR A 4 7.091 -3.974 -4.483 1.00 0.00 H HETATM 83 HZ2 UVR A 4 5.416 -4.333 -4.171 1.00 0.00 H HETATM 84 HZ3 UVR A 4 6.625 -5.333 -4.926 1.00 0.00 H HETATM 85 C UVR A 4 9.798 0.186 -0.361 1.00 0.00 C HETATM 86 O UVR A 4 10.366 0.545 -1.393 1.00 0.00 O TER 87 UVR A 4 ENDMDL MODEL 15 ATOM 1 N TRP A 1 8.467 0.222 -0.232 1.00 0.00 N ATOM 2 CA TRP A 1 7.567 0.803 -1.197 1.00 0.00 C ATOM 3 C TRP A 1 6.806 1.977 -0.592 1.00 0.00 C ATOM 4 O TRP A 1 7.017 3.127 -0.976 1.00 0.00 O ATOM 5 CB TRP A 1 6.620 -0.225 -1.738 1.00 0.00 C ATOM 6 CG TRP A 1 6.859 -0.367 -3.190 1.00 0.00 C ATOM 7 CD1 TRP A 1 7.533 -1.347 -3.795 1.00 0.00 C ATOM 8 CD2 TRP A 1 6.521 0.572 -4.190 1.00 0.00 C ATOM 9 NE1 TRP A 1 7.549 -1.149 -5.157 1.00 0.00 N ATOM 10 CE2 TRP A 1 6.930 0.045 -5.423 1.00 0.00 C ATOM 11 CE3 TRP A 1 5.875 1.788 -4.149 1.00 0.00 C ATOM 12 CZ2 TRP A 1 6.705 0.712 -6.624 1.00 0.00 C ATOM 13 CZ3 TRP A 1 5.653 2.467 -5.334 1.00 0.00 C ATOM 14 CH2 TRP A 1 6.062 1.922 -6.561 1.00 0.00 C ATOM 15 H1 TRP A 1 8.108 -0.018 0.632 1.00 0.00 H ATOM 16 HA TRP A 1 8.148 1.143 -2.023 1.00 0.00 H ATOM 17 HB2 TRP A 1 6.795 -1.177 -1.256 1.00 0.00 H ATOM 18 HB3 TRP A 1 5.600 0.090 -1.585 1.00 0.00 H ATOM 19 HD1 TRP A 1 7.959 -2.161 -3.263 1.00 0.00 H ATOM 20 HE1 TRP A 1 7.942 -1.754 -5.821 1.00 0.00 H ATOM 21 HE3 TRP A 1 5.585 2.213 -3.200 1.00 0.00 H ATOM 22 HZ2 TRP A 1 7.015 0.304 -7.575 1.00 0.00 H ATOM 23 HZ3 TRP A 1 5.149 3.422 -5.322 1.00 0.00 H ATOM 24 HH2 TRP A 1 5.872 2.482 -7.465 1.00 0.00 H ATOM 25 N LEU A 2 6.099 1.699 0.498 1.00 0.00 N ATOM 26 CA LEU A 2 5.524 2.744 1.324 1.00 0.00 C ATOM 27 C LEU A 2 6.609 3.398 2.172 1.00 0.00 C ATOM 28 O LEU A 2 7.192 4.405 1.766 1.00 0.00 O ATOM 29 CB LEU A 2 4.425 2.175 2.223 1.00 0.00 C ATOM 30 CG LEU A 2 3.187 1.661 1.485 1.00 0.00 C ATOM 31 CD1 LEU A 2 3.308 0.170 1.213 1.00 0.00 C ATOM 32 CD2 LEU A 2 1.927 1.957 2.286 1.00 0.00 C ATOM 33 H LEU A 2 6.075 0.787 0.822 1.00 0.00 H ATOM 34 HA LEU A 2 5.102 3.473 0.667 1.00 0.00 H ATOM 35 HB2 LEU A 2 4.843 1.358 2.793 1.00 0.00 H ATOM 36 HB3 LEU A 2 4.113 2.948 2.908 1.00 0.00 H ATOM 37 HG LEU A 2 3.106 2.168 0.534 1.00 0.00 H ATOM 38 HD11 LEU A 2 2.904 -0.052 0.236 1.00 0.00 H ATOM 39 HD12 LEU A 2 2.758 -0.379 1.962 1.00 0.00 H ATOM 40 HD13 LEU A 2 4.348 -0.119 1.246 1.00 0.00 H ATOM 41 HD21 LEU A 2 1.705 1.119 2.930 1.00 0.00 H ATOM 42 HD22 LEU A 2 1.101 2.123 1.611 1.00 0.00 H ATOM 43 HD23 LEU A 2 2.083 2.841 2.887 1.00 0.00 H HETATM 44 CG B3A A 3 8.326 2.613 5.279 1.00 0.00 C HETATM 45 CB B3A A 3 8.346 2.951 3.789 1.00 0.00 C HETATM 46 N B3A A 3 7.087 2.647 3.157 1.00 0.00 N HETATM 47 CA B3A A 3 9.659 2.119 3.771 1.00 0.00 C HETATM 48 C B3A A 3 10.187 1.812 2.400 1.00 0.00 C HETATM 49 O B3A A 3 11.081 2.487 1.888 1.00 0.00 O HETATM 50 HG1 B3A A 3 7.522 3.156 5.752 1.00 0.00 H HETATM 51 HG2 B3A A 3 9.262 2.900 5.741 1.00 0.00 H HETATM 52 HG3 B3A A 3 8.163 1.552 5.415 1.00 0.00 H HETATM 53 HB B3A A 3 8.513 3.998 3.749 1.00 0.00 H HETATM 54 H B3A A 3 6.748 1.750 3.262 1.00 0.00 H HETATM 55 HA1 B3A A 3 9.470 1.173 4.257 1.00 0.00 H HETATM 56 HA2 B3A A 3 10.425 2.654 4.312 1.00 0.00 H HETATM 57 N UVR A 4 9.909 0.572 2.015 1.00 0.00 N HETATM 58 HN UVR A 4 9.088 0.165 2.322 1.00 0.00 H HETATM 59 CA UVR A 4 10.580 -0.031 0.887 1.00 0.00 C HETATM 60 HA UVR A 4 11.549 0.412 0.816 1.00 0.00 H HETATM 61 CB UVR A 4 10.718 -1.542 1.082 1.00 0.00 C HETATM 62 HB1 UVR A 4 11.361 -1.937 0.308 1.00 0.00 H HETATM 63 HB2 UVR A 4 9.740 -1.996 0.990 1.00 0.00 H HETATM 64 CG UVR A 4 11.299 -1.932 2.432 1.00 0.00 C HETATM 65 HG1 UVR A 4 10.622 -2.621 2.918 1.00 0.00 H HETATM 66 HG2 UVR A 4 11.406 -1.044 3.036 1.00 0.00 H HETATM 67 CD UVR A 4 12.660 -2.595 2.286 1.00 0.00 C HETATM 68 HD1 UVR A 4 13.066 -2.780 3.270 1.00 0.00 H HETATM 69 HD2 UVR A 4 13.316 -1.932 1.743 1.00 0.00 H HETATM 70 CE UVR A 4 12.562 -3.915 1.535 1.00 0.00 C HETATM 71 HE1 UVR A 4 13.157 -3.851 0.637 1.00 0.00 H HETATM 72 HE2 UVR A 4 11.530 -4.095 1.272 1.00 0.00 H HETATM 73 CF UVR A 4 13.064 -5.078 2.378 1.00 0.00 C HETATM 74 HF1 UVR A 4 14.066 -4.866 2.716 1.00 0.00 H HETATM 75 HF2 UVR A 4 13.058 -5.979 1.779 1.00 0.00 H HETATM 76 CX UVR A 4 12.165 -5.260 3.577 1.00 0.00 C HETATM 77 OX UVR A 4 10.968 -4.988 3.495 1.00 0.00 O HETATM 78 CY UVR A 4 12.736 -5.776 4.877 1.00 0.00 C HETATM 79 HY1 UVR A 4 13.035 -4.948 5.498 1.00 0.00 H HETATM 80 HY2 UVR A 4 13.582 -6.417 4.674 1.00 0.00 H HETATM 81 CZ UVR A 4 11.685 -6.574 5.617 1.00 0.00 C HETATM 82 HZ1 UVR A 4 11.292 -7.435 5.097 1.00 0.00 H HETATM 83 HZ2 UVR A 4 10.846 -6.036 6.031 1.00 0.00 H HETATM 84 HZ3 UVR A 4 12.050 -7.244 6.381 1.00 0.00 H HETATM 85 C UVR A 4 9.789 0.273 -0.380 1.00 0.00 C HETATM 86 O UVR A 4 10.333 0.808 -1.346 1.00 0.00 O TER 87 UVR A 4 ENDMDL MODEL 16 ATOM 1 N TRP A 1 8.468 0.229 -0.219 1.00 0.00 N ATOM 2 CA TRP A 1 7.554 0.785 -1.187 1.00 0.00 C ATOM 3 C TRP A 1 6.801 1.971 -0.598 1.00 0.00 C ATOM 4 O TRP A 1 7.021 3.115 -0.995 1.00 0.00 O ATOM 5 CB TRP A 1 6.602 -0.258 -1.685 1.00 0.00 C ATOM 6 CG TRP A 1 6.815 -0.445 -3.137 1.00 0.00 C ATOM 7 CD1 TRP A 1 6.038 0.017 -4.119 1.00 0.00 C ATOM 8 CD2 TRP A 1 7.938 -1.046 -3.752 1.00 0.00 C ATOM 9 NE1 TRP A 1 6.544 -0.355 -5.345 1.00 0.00 N ATOM 10 CE2 TRP A 1 7.730 -1.010 -5.138 1.00 0.00 C ATOM 11 CE3 TRP A 1 9.078 -1.641 -3.249 1.00 0.00 C ATOM 12 CZ2 TRP A 1 8.641 -1.558 -6.038 1.00 0.00 C ATOM 13 CZ3 TRP A 1 9.993 -2.180 -4.132 1.00 0.00 C ATOM 14 CH2 TRP A 1 9.767 -2.141 -5.517 1.00 0.00 C ATOM 15 H1 TRP A 1 8.120 0.016 0.657 1.00 0.00 H ATOM 16 HA TRP A 1 8.122 1.106 -2.029 1.00 0.00 H ATOM 17 HB2 TRP A 1 6.785 -1.196 -1.177 1.00 0.00 H ATOM 18 HB3 TRP A 1 5.583 0.060 -1.524 1.00 0.00 H ATOM 19 HD1 TRP A 1 5.149 0.565 -3.936 1.00 0.00 H ATOM 20 HE1 TRP A 1 6.131 -0.173 -6.215 1.00 0.00 H ATOM 21 HE3 TRP A 1 9.259 -1.649 -2.185 1.00 0.00 H ATOM 22 HZ2 TRP A 1 8.478 -1.534 -7.106 1.00 0.00 H ATOM 23 HZ3 TRP A 1 10.892 -2.649 -3.759 1.00 0.00 H ATOM 24 HH2 TRP A 1 10.507 -2.574 -6.175 1.00 0.00 H ATOM 25 N LEU A 2 6.090 1.709 0.494 1.00 0.00 N ATOM 26 CA LEU A 2 5.527 2.765 1.312 1.00 0.00 C ATOM 27 C LEU A 2 6.614 3.403 2.171 1.00 0.00 C ATOM 28 O LEU A 2 7.198 4.415 1.783 1.00 0.00 O ATOM 29 CB LEU A 2 4.406 2.217 2.198 1.00 0.00 C ATOM 30 CG LEU A 2 3.194 1.674 1.440 1.00 0.00 C ATOM 31 CD1 LEU A 2 3.303 0.168 1.265 1.00 0.00 C ATOM 32 CD2 LEU A 2 1.904 2.036 2.163 1.00 0.00 C ATOM 33 H LEU A 2 6.052 0.798 0.820 1.00 0.00 H ATOM 34 HA LEU A 2 5.125 3.501 0.650 1.00 0.00 H ATOM 35 HB2 LEU A 2 4.814 1.422 2.806 1.00 0.00 H ATOM 36 HB3 LEU A 2 4.072 3.010 2.850 1.00 0.00 H ATOM 37 HG LEU A 2 3.163 2.121 0.457 1.00 0.00 H ATOM 38 HD11 LEU A 2 2.835 -0.328 2.103 1.00 0.00 H ATOM 39 HD12 LEU A 2 4.345 -0.115 1.218 1.00 0.00 H ATOM 40 HD13 LEU A 2 2.809 -0.126 0.351 1.00 0.00 H ATOM 41 HD21 LEU A 2 2.027 2.984 2.666 1.00 0.00 H ATOM 42 HD22 LEU A 2 1.671 1.271 2.888 1.00 0.00 H ATOM 43 HD23 LEU A 2 1.099 2.111 1.447 1.00 0.00 H HETATM 44 CG B3A A 3 8.303 2.579 5.287 1.00 0.00 C HETATM 45 CB B3A A 3 8.338 2.935 3.800 1.00 0.00 C HETATM 46 N B3A A 3 7.082 2.640 3.154 1.00 0.00 N HETATM 47 CA B3A A 3 9.649 2.099 3.785 1.00 0.00 C HETATM 48 C B3A A 3 10.193 1.809 2.416 1.00 0.00 C HETATM 49 O B3A A 3 11.093 2.489 1.922 1.00 0.00 O HETATM 50 HG1 B3A A 3 8.142 1.517 5.409 1.00 0.00 H HETATM 51 HG2 B3A A 3 7.491 3.115 5.756 1.00 0.00 H HETATM 52 HG3 B3A A 3 9.233 2.865 5.760 1.00 0.00 H HETATM 53 HB B3A A 3 8.508 3.981 3.774 1.00 0.00 H HETATM 54 H B3A A 3 6.734 1.748 3.257 1.00 0.00 H HETATM 55 HA1 B3A A 3 9.450 1.145 4.253 1.00 0.00 H HETATM 56 HA2 B3A A 3 10.410 2.622 4.343 1.00 0.00 H HETATM 57 N UVR A 4 9.917 0.574 2.008 1.00 0.00 N HETATM 58 HN UVR A 4 9.091 0.166 2.299 1.00 0.00 H HETATM 59 CA UVR A 4 10.599 -0.011 0.877 1.00 0.00 C HETATM 60 HA UVR A 4 11.546 0.478 0.794 1.00 0.00 H HETATM 61 CB UVR A 4 10.821 -1.517 1.088 1.00 0.00 C HETATM 62 HB1 UVR A 4 11.170 -1.673 2.099 1.00 0.00 H HETATM 63 HB2 UVR A 4 11.583 -1.853 0.402 1.00 0.00 H HETATM 64 CG UVR A 4 9.581 -2.378 0.877 1.00 0.00 C HETATM 65 HG1 UVR A 4 9.894 -3.388 0.660 1.00 0.00 H HETATM 66 HG2 UVR A 4 9.019 -1.991 0.042 1.00 0.00 H HETATM 67 CD UVR A 4 8.689 -2.392 2.108 1.00 0.00 C HETATM 68 HD1 UVR A 4 7.678 -2.149 1.812 1.00 0.00 H HETATM 69 HD2 UVR A 4 9.047 -1.653 2.810 1.00 0.00 H HETATM 70 CE UVR A 4 8.694 -3.753 2.785 1.00 0.00 C HETATM 71 HE1 UVR A 4 8.072 -3.707 3.668 1.00 0.00 H HETATM 72 HE2 UVR A 4 9.706 -3.997 3.071 1.00 0.00 H HETATM 73 CF UVR A 4 8.165 -4.843 1.862 1.00 0.00 C HETATM 74 HF1 UVR A 4 8.288 -4.531 0.837 1.00 0.00 H HETATM 75 HF2 UVR A 4 7.116 -5.007 2.075 1.00 0.00 H HETATM 76 CX UVR A 4 8.934 -6.122 2.088 1.00 0.00 C HETATM 77 OX UVR A 4 9.418 -6.725 1.131 1.00 0.00 O HETATM 78 CY UVR A 4 9.109 -6.662 3.487 1.00 0.00 C HETATM 79 HY1 UVR A 4 9.144 -7.740 3.461 1.00 0.00 H HETATM 80 HY2 UVR A 4 8.290 -6.329 4.110 1.00 0.00 H HETATM 81 CZ UVR A 4 10.408 -6.155 4.073 1.00 0.00 C HETATM 82 HZ1 UVR A 4 11.115 -5.741 3.369 1.00 0.00 H HETATM 83 HZ2 UVR A 4 10.952 -6.814 4.732 1.00 0.00 H HETATM 84 HZ3 UVR A 4 10.365 -5.185 4.547 1.00 0.00 H HETATM 85 C UVR A 4 9.788 0.258 -0.389 1.00 0.00 C HETATM 86 O UVR A 4 10.322 0.753 -1.381 1.00 0.00 O TER 87 UVR A 4 ENDMDL MODEL 17 ATOM 1 N TRP A 1 8.469 0.223 -0.228 1.00 0.00 N ATOM 2 CA TRP A 1 7.568 0.807 -1.192 1.00 0.00 C ATOM 3 C TRP A 1 6.811 1.982 -0.586 1.00 0.00 C ATOM 4 O TRP A 1 7.032 3.133 -0.962 1.00 0.00 O ATOM 5 CB TRP A 1 6.619 -0.219 -1.733 1.00 0.00 C ATOM 6 CG TRP A 1 6.857 -0.362 -3.185 1.00 0.00 C ATOM 7 CD1 TRP A 1 7.525 -1.349 -3.789 1.00 0.00 C ATOM 8 CD2 TRP A 1 6.528 0.580 -4.186 1.00 0.00 C ATOM 9 NE1 TRP A 1 7.543 -1.151 -5.151 1.00 0.00 N ATOM 10 CE2 TRP A 1 6.934 0.049 -5.417 1.00 0.00 C ATOM 11 CE3 TRP A 1 5.891 1.801 -4.146 1.00 0.00 C ATOM 12 CZ2 TRP A 1 6.717 0.716 -6.619 1.00 0.00 C ATOM 13 CZ3 TRP A 1 5.677 2.480 -5.331 1.00 0.00 C ATOM 14 CH2 TRP A 1 6.084 1.932 -6.558 1.00 0.00 C ATOM 15 H1 TRP A 1 8.110 -0.017 0.636 1.00 0.00 H ATOM 16 HA TRP A 1 8.151 1.145 -2.018 1.00 0.00 H ATOM 17 HB2 TRP A 1 6.792 -1.172 -1.251 1.00 0.00 H ATOM 18 HB3 TRP A 1 5.600 0.098 -1.580 1.00 0.00 H ATOM 19 HD1 TRP A 1 7.943 -2.166 -3.257 1.00 0.00 H ATOM 20 HE1 TRP A 1 7.932 -1.759 -5.815 1.00 0.00 H ATOM 21 HE3 TRP A 1 5.602 2.229 -3.198 1.00 0.00 H ATOM 22 HZ2 TRP A 1 7.024 0.305 -7.569 1.00 0.00 H ATOM 23 HZ3 TRP A 1 5.182 3.440 -5.321 1.00 0.00 H ATOM 24 HH2 TRP A 1 5.899 2.494 -7.462 1.00 0.00 H ATOM 25 N LEU A 2 6.092 1.702 0.497 1.00 0.00 N ATOM 26 CA LEU A 2 5.515 2.745 1.324 1.00 0.00 C ATOM 27 C LEU A 2 6.598 3.400 2.174 1.00 0.00 C ATOM 28 O LEU A 2 7.165 4.418 1.780 1.00 0.00 O ATOM 29 CB LEU A 2 4.413 2.174 2.218 1.00 0.00 C ATOM 30 CG LEU A 2 3.235 1.540 1.472 1.00 0.00 C ATOM 31 CD1 LEU A 2 3.417 0.033 1.370 1.00 0.00 C ATOM 32 CD2 LEU A 2 1.922 1.876 2.164 1.00 0.00 C ATOM 33 H LEU A 2 6.057 0.788 0.813 1.00 0.00 H ATOM 34 HA LEU A 2 5.093 3.476 0.667 1.00 0.00 H ATOM 35 HB2 LEU A 2 4.852 1.423 2.859 1.00 0.00 H ATOM 36 HB3 LEU A 2 4.031 2.972 2.837 1.00 0.00 H ATOM 37 HG LEU A 2 3.198 1.939 0.468 1.00 0.00 H ATOM 38 HD11 LEU A 2 3.100 -0.302 0.394 1.00 0.00 H ATOM 39 HD12 LEU A 2 2.821 -0.453 2.129 1.00 0.00 H ATOM 40 HD13 LEU A 2 4.458 -0.215 1.515 1.00 0.00 H ATOM 41 HD21 LEU A 2 1.488 2.753 1.706 1.00 0.00 H ATOM 42 HD22 LEU A 2 2.104 2.068 3.211 1.00 0.00 H ATOM 43 HD23 LEU A 2 1.240 1.044 2.065 1.00 0.00 H HETATM 44 CG B3A A 3 8.328 2.622 5.270 1.00 0.00 C HETATM 45 CB B3A A 3 8.348 2.953 3.779 1.00 0.00 C HETATM 46 N B3A A 3 7.090 2.641 3.148 1.00 0.00 N HETATM 47 CA B3A A 3 9.664 2.125 3.767 1.00 0.00 C HETATM 48 C B3A A 3 10.193 1.809 2.397 1.00 0.00 C HETATM 49 O B3A A 3 11.085 2.483 1.882 1.00 0.00 O HETATM 50 HG1 B3A A 3 8.168 1.562 5.412 1.00 0.00 H HETATM 51 HG2 B3A A 3 7.521 3.165 5.740 1.00 0.00 H HETATM 52 HG3 B3A A 3 9.263 2.914 5.730 1.00 0.00 H HETATM 53 HB B3A A 3 8.514 3.999 3.733 1.00 0.00 H HETATM 54 H B3A A 3 6.760 1.741 3.245 1.00 0.00 H HETATM 55 HA1 B3A A 3 9.476 1.179 4.257 1.00 0.00 H HETATM 56 HA2 B3A A 3 10.427 2.664 4.304 1.00 0.00 H HETATM 57 N UVR A 4 9.914 0.568 2.016 1.00 0.00 N HETATM 58 HN UVR A 4 9.093 0.164 2.325 1.00 0.00 H HETATM 59 CA UVR A 4 10.582 -0.036 0.887 1.00 0.00 C HETATM 60 HA UVR A 4 11.553 0.402 0.816 1.00 0.00 H HETATM 61 CB UVR A 4 10.712 -1.549 1.081 1.00 0.00 C HETATM 62 HB1 UVR A 4 11.085 -1.986 0.167 1.00 0.00 H HETATM 63 HB2 UVR A 4 9.735 -1.958 1.292 1.00 0.00 H HETATM 64 CG UVR A 4 11.648 -1.938 2.214 1.00 0.00 C HETATM 65 HG1 UVR A 4 12.327 -1.121 2.404 1.00 0.00 H HETATM 66 HG2 UVR A 4 12.209 -2.813 1.919 1.00 0.00 H HETATM 67 CD UVR A 4 10.880 -2.252 3.488 1.00 0.00 C HETATM 68 HD1 UVR A 4 10.262 -1.403 3.742 1.00 0.00 H HETATM 69 HD2 UVR A 4 11.585 -2.438 4.285 1.00 0.00 H HETATM 70 CE UVR A 4 9.994 -3.477 3.319 1.00 0.00 C HETATM 71 HE1 UVR A 4 10.463 -4.318 3.809 1.00 0.00 H HETATM 72 HE2 UVR A 4 9.882 -3.687 2.265 1.00 0.00 H HETATM 73 CF UVR A 4 8.616 -3.255 3.926 1.00 0.00 C HETATM 74 HF1 UVR A 4 8.370 -2.207 3.875 1.00 0.00 H HETATM 75 HF2 UVR A 4 8.627 -3.584 4.957 1.00 0.00 H HETATM 76 CX UVR A 4 7.588 -4.045 3.153 1.00 0.00 C HETATM 77 OX UVR A 4 6.912 -3.492 2.287 1.00 0.00 O HETATM 78 CY UVR A 4 7.389 -5.514 3.443 1.00 0.00 C HETATM 79 HY1 UVR A 4 6.610 -5.639 4.179 1.00 0.00 H HETATM 80 HY2 UVR A 4 8.315 -5.943 3.801 1.00 0.00 H HETATM 81 CZ UVR A 4 6.972 -6.234 2.179 1.00 0.00 C HETATM 82 HZ1 UVR A 4 7.761 -6.738 1.640 1.00 0.00 H HETATM 83 HZ2 UVR A 4 6.387 -5.683 1.457 1.00 0.00 H HETATM 84 HZ3 UVR A 4 6.499 -7.195 2.316 1.00 0.00 H HETATM 85 C UVR A 4 9.791 0.272 -0.377 1.00 0.00 C HETATM 86 O UVR A 4 10.335 0.807 -1.344 1.00 0.00 O TER 87 UVR A 4 ENDMDL MODEL 18 ATOM 1 N TRP A 1 8.471 0.260 -0.203 1.00 0.00 N ATOM 2 CA TRP A 1 7.575 0.818 -1.188 1.00 0.00 C ATOM 3 C TRP A 1 6.790 1.984 -0.600 1.00 0.00 C ATOM 4 O TRP A 1 6.994 3.135 -0.983 1.00 0.00 O ATOM 5 CB TRP A 1 6.654 -0.229 -1.735 1.00 0.00 C ATOM 6 CG TRP A 1 6.928 -0.391 -3.179 1.00 0.00 C ATOM 7 CD1 TRP A 1 7.631 -1.372 -3.749 1.00 0.00 C ATOM 8 CD2 TRP A 1 6.600 0.527 -4.202 1.00 0.00 C ATOM 9 NE1 TRP A 1 7.675 -1.197 -5.115 1.00 0.00 N ATOM 10 CE2 TRP A 1 7.047 -0.016 -5.416 1.00 0.00 C ATOM 11 CE3 TRP A 1 5.936 1.734 -4.199 1.00 0.00 C ATOM 12 CZ2 TRP A 1 6.842 0.627 -6.634 1.00 0.00 C ATOM 13 CZ3 TRP A 1 5.734 2.388 -5.400 1.00 0.00 C ATOM 14 CH2 TRP A 1 6.181 1.829 -6.607 1.00 0.00 C ATOM 15 H1 TRP A 1 8.121 0.100 0.683 1.00 0.00 H ATOM 16 HA TRP A 1 8.166 1.162 -2.007 1.00 0.00 H ATOM 17 HB2 TRP A 1 6.829 -1.172 -1.233 1.00 0.00 H ATOM 18 HB3 TRP A 1 5.627 0.075 -1.610 1.00 0.00 H ATOM 19 HD1 TRP A 1 8.054 -2.169 -3.194 1.00 0.00 H ATOM 20 HE1 TRP A 1 8.094 -1.806 -5.758 1.00 0.00 H ATOM 21 HE3 TRP A 1 5.617 2.170 -3.264 1.00 0.00 H ATOM 22 HZ2 TRP A 1 7.180 0.206 -7.569 1.00 0.00 H ATOM 23 HZ3 TRP A 1 5.217 3.336 -5.418 1.00 0.00 H ATOM 24 HH2 TRP A 1 6.005 2.370 -7.525 1.00 0.00 H ATOM 25 N LEU A 2 6.088 1.703 0.494 1.00 0.00 N ATOM 26 CA LEU A 2 5.517 2.746 1.324 1.00 0.00 C ATOM 27 C LEU A 2 6.606 3.395 2.169 1.00 0.00 C ATOM 28 O LEU A 2 7.192 4.399 1.763 1.00 0.00 O ATOM 29 CB LEU A 2 4.420 2.174 2.226 1.00 0.00 C ATOM 30 CG LEU A 2 3.185 1.652 1.490 1.00 0.00 C ATOM 31 CD1 LEU A 2 2.589 0.462 2.226 1.00 0.00 C ATOM 32 CD2 LEU A 2 2.151 2.758 1.335 1.00 0.00 C ATOM 33 H LEU A 2 6.080 0.792 0.824 1.00 0.00 H ATOM 34 HA LEU A 2 5.092 3.477 0.672 1.00 0.00 H ATOM 35 HB2 LEU A 2 4.843 1.361 2.799 1.00 0.00 H ATOM 36 HB3 LEU A 2 4.105 2.948 2.908 1.00 0.00 H ATOM 37 HG LEU A 2 3.473 1.322 0.503 1.00 0.00 H ATOM 38 HD11 LEU A 2 2.224 -0.259 1.510 1.00 0.00 H ATOM 39 HD12 LEU A 2 1.771 0.797 2.848 1.00 0.00 H ATOM 40 HD13 LEU A 2 3.347 0.005 2.845 1.00 0.00 H ATOM 41 HD21 LEU A 2 1.348 2.413 0.701 1.00 0.00 H ATOM 42 HD22 LEU A 2 2.615 3.625 0.890 1.00 0.00 H ATOM 43 HD23 LEU A 2 1.757 3.020 2.306 1.00 0.00 H HETATM 44 CG B3A A 3 8.327 2.594 5.274 1.00 0.00 C HETATM 45 CB B3A A 3 8.343 2.944 3.786 1.00 0.00 C HETATM 46 N B3A A 3 7.083 2.642 3.155 1.00 0.00 N HETATM 47 CA B3A A 3 9.659 2.116 3.760 1.00 0.00 C HETATM 48 C B3A A 3 10.182 1.817 2.385 1.00 0.00 C HETATM 49 O B3A A 3 11.068 2.500 1.868 1.00 0.00 O HETATM 50 HG1 B3A A 3 7.521 3.131 5.752 1.00 0.00 H HETATM 51 HG2 B3A A 3 9.262 2.880 5.735 1.00 0.00 H HETATM 52 HG3 B3A A 3 8.167 1.532 5.403 1.00 0.00 H HETATM 53 HB B3A A 3 8.508 3.991 3.754 1.00 0.00 H HETATM 54 H B3A A 3 6.740 1.748 3.264 1.00 0.00 H HETATM 55 HA1 B3A A 3 9.474 1.166 4.241 1.00 0.00 H HETATM 56 HA2 B3A A 3 10.425 2.650 4.301 1.00 0.00 H HETATM 57 N UVR A 4 9.925 0.567 2.013 1.00 0.00 N HETATM 58 HN UVR A 4 9.120 0.142 2.338 1.00 0.00 H HETATM 59 CA UVR A 4 10.601 -0.033 0.887 1.00 0.00 C HETATM 60 HA UVR A 4 11.551 0.451 0.798 1.00 0.00 H HETATM 61 CB UVR A 4 10.816 -1.535 1.114 1.00 0.00 C HETATM 62 HB1 UVR A 4 11.230 -1.677 2.101 1.00 0.00 H HETATM 63 HB2 UVR A 4 11.523 -1.897 0.384 1.00 0.00 H HETATM 64 CG UVR A 4 9.551 -2.379 1.005 1.00 0.00 C HETATM 65 HG1 UVR A 4 9.806 -3.331 0.563 1.00 0.00 H HETATM 66 HG2 UVR A 4 8.838 -1.870 0.377 1.00 0.00 H HETATM 67 CD UVR A 4 8.922 -2.621 2.367 1.00 0.00 C HETATM 68 HD1 UVR A 4 9.051 -1.738 2.975 1.00 0.00 H HETATM 69 HD2 UVR A 4 9.415 -3.460 2.836 1.00 0.00 H HETATM 70 CE UVR A 4 7.438 -2.927 2.246 1.00 0.00 C HETATM 71 HE1 UVR A 4 6.948 -2.095 1.759 1.00 0.00 H HETATM 72 HE2 UVR A 4 7.026 -3.062 3.234 1.00 0.00 H HETATM 73 CF UVR A 4 7.193 -4.190 1.434 1.00 0.00 C HETATM 74 HF1 UVR A 4 7.490 -5.048 2.015 1.00 0.00 H HETATM 75 HF2 UVR A 4 7.773 -4.141 0.521 1.00 0.00 H HETATM 76 CX UVR A 4 5.726 -4.301 1.098 1.00 0.00 C HETATM 77 OX UVR A 4 4.883 -3.835 1.862 1.00 0.00 O HETATM 78 CY UVR A 4 5.294 -4.986 -0.177 1.00 0.00 C HETATM 79 HY1 UVR A 4 5.617 -4.408 -1.029 1.00 0.00 H HETATM 80 HY2 UVR A 4 4.218 -5.093 -0.186 1.00 0.00 H HETATM 81 CZ UVR A 4 5.923 -6.358 -0.262 1.00 0.00 C HETATM 82 HZ1 UVR A 4 6.970 -6.383 -0.523 1.00 0.00 H HETATM 83 HZ2 UVR A 4 5.421 -7.104 -0.860 1.00 0.00 H HETATM 84 HZ3 UVR A 4 6.181 -6.818 0.681 1.00 0.00 H HETATM 85 C UVR A 4 9.791 0.224 -0.383 1.00 0.00 C HETATM 86 O UVR A 4 10.337 0.651 -1.399 1.00 0.00 O TER 87 UVR A 4 ENDMDL MODEL 19 ATOM 1 N TRP A 1 8.470 0.208 -0.230 1.00 0.00 N ATOM 2 CA TRP A 1 7.559 0.793 -1.185 1.00 0.00 C ATOM 3 C TRP A 1 6.821 1.980 -0.577 1.00 0.00 C ATOM 4 O TRP A 1 7.065 3.128 -0.946 1.00 0.00 O ATOM 5 CB TRP A 1 6.593 -0.228 -1.703 1.00 0.00 C ATOM 6 CG TRP A 1 6.802 -0.375 -3.158 1.00 0.00 C ATOM 7 CD1 TRP A 1 6.048 0.151 -4.127 1.00 0.00 C ATOM 8 CD2 TRP A 1 7.901 -0.999 -3.788 1.00 0.00 C ATOM 9 NE1 TRP A 1 6.544 -0.201 -5.363 1.00 0.00 N ATOM 10 CE2 TRP A 1 7.703 -0.910 -5.174 1.00 0.00 C ATOM 11 CE3 TRP A 1 9.011 -1.652 -3.299 1.00 0.00 C ATOM 12 CZ2 TRP A 1 8.596 -1.465 -6.085 1.00 0.00 C ATOM 13 CZ3 TRP A 1 9.912 -2.201 -4.193 1.00 0.00 C ATOM 14 CH2 TRP A 1 9.695 -2.110 -5.578 1.00 0.00 C ATOM 15 H1 TRP A 1 8.116 -0.048 0.631 1.00 0.00 H ATOM 16 HA TRP A 1 8.130 1.120 -2.023 1.00 0.00 H ATOM 17 HB2 TRP A 1 6.769 -1.180 -1.221 1.00 0.00 H ATOM 18 HB3 TRP A 1 5.578 0.096 -1.530 1.00 0.00 H ATOM 19 HD1 TRP A 1 5.181 0.728 -3.929 1.00 0.00 H ATOM 20 HE1 TRP A 1 6.143 0.025 -6.229 1.00 0.00 H ATOM 21 HE3 TRP A 1 9.185 -1.698 -2.235 1.00 0.00 H ATOM 22 HZ2 TRP A 1 8.441 -1.402 -7.153 1.00 0.00 H ATOM 23 HZ3 TRP A 1 10.787 -2.716 -3.829 1.00 0.00 H ATOM 24 HH2 TRP A 1 10.421 -2.552 -6.245 1.00 0.00 H ATOM 25 N LEU A 2 6.084 1.708 0.496 1.00 0.00 N ATOM 26 CA LEU A 2 5.517 2.758 1.320 1.00 0.00 C ATOM 27 C LEU A 2 6.605 3.403 2.170 1.00 0.00 C ATOM 28 O LEU A 2 7.182 4.418 1.777 1.00 0.00 O ATOM 29 CB LEU A 2 4.413 2.196 2.217 1.00 0.00 C ATOM 30 CG LEU A 2 3.191 1.654 1.476 1.00 0.00 C ATOM 31 CD1 LEU A 2 3.419 0.209 1.058 1.00 0.00 C ATOM 32 CD2 LEU A 2 1.947 1.769 2.346 1.00 0.00 C ATOM 33 H LEU A 2 6.028 0.792 0.806 1.00 0.00 H ATOM 34 HA LEU A 2 5.100 3.491 0.664 1.00 0.00 H ATOM 35 HB2 LEU A 2 4.833 1.397 2.810 1.00 0.00 H ATOM 36 HB3 LEU A 2 4.084 2.981 2.881 1.00 0.00 H ATOM 37 HG LEU A 2 3.030 2.239 0.582 1.00 0.00 H ATOM 38 HD11 LEU A 2 4.061 -0.277 1.778 1.00 0.00 H ATOM 39 HD12 LEU A 2 3.888 0.186 0.085 1.00 0.00 H ATOM 40 HD13 LEU A 2 2.472 -0.307 1.013 1.00 0.00 H ATOM 41 HD21 LEU A 2 1.682 2.810 2.459 1.00 0.00 H ATOM 42 HD22 LEU A 2 2.145 1.341 3.317 1.00 0.00 H ATOM 43 HD23 LEU A 2 1.131 1.238 1.879 1.00 0.00 H HETATM 44 CG B3A A 3 8.314 2.599 5.275 1.00 0.00 C HETATM 45 CB B3A A 3 8.342 2.943 3.785 1.00 0.00 C HETATM 46 N B3A A 3 7.086 2.639 3.146 1.00 0.00 N HETATM 47 CA B3A A 3 9.655 2.111 3.774 1.00 0.00 C HETATM 48 C B3A A 3 10.192 1.809 2.404 1.00 0.00 C HETATM 49 O B3A A 3 11.086 2.486 1.898 1.00 0.00 O HETATM 50 HG1 B3A A 3 8.151 1.537 5.406 1.00 0.00 H HETATM 51 HG2 B3A A 3 7.506 3.139 5.745 1.00 0.00 H HETATM 52 HG3 B3A A 3 9.247 2.885 5.742 1.00 0.00 H HETATM 53 HB B3A A 3 8.510 3.989 3.751 1.00 0.00 H HETATM 54 H B3A A 3 6.750 1.741 3.240 1.00 0.00 H HETATM 55 HA1 B3A A 3 9.463 1.162 4.253 1.00 0.00 H HETATM 56 HA2 B3A A 3 10.418 2.644 4.321 1.00 0.00 H HETATM 57 N UVR A 4 9.916 0.570 2.012 1.00 0.00 N HETATM 58 HN UVR A 4 9.093 0.162 2.313 1.00 0.00 H HETATM 59 CA UVR A 4 10.588 -0.024 0.881 1.00 0.00 C HETATM 60 HA UVR A 4 11.553 0.426 0.810 1.00 0.00 H HETATM 61 CB UVR A 4 10.738 -1.537 1.069 1.00 0.00 C HETATM 62 HB1 UVR A 4 11.504 -1.896 0.397 1.00 0.00 H HETATM 63 HB2 UVR A 4 9.801 -2.012 0.818 1.00 0.00 H HETATM 64 CG UVR A 4 11.114 -1.945 2.484 1.00 0.00 C HETATM 65 HG1 UVR A 4 11.281 -3.012 2.508 1.00 0.00 H HETATM 66 HG2 UVR A 4 10.304 -1.691 3.150 1.00 0.00 H HETATM 67 CD UVR A 4 12.376 -1.238 2.951 1.00 0.00 C HETATM 68 HD1 UVR A 4 12.289 -0.184 2.732 1.00 0.00 H HETATM 69 HD2 UVR A 4 13.224 -1.649 2.423 1.00 0.00 H HETATM 70 CE UVR A 4 12.594 -1.416 4.446 1.00 0.00 C HETATM 71 HE1 UVR A 4 13.313 -2.206 4.602 1.00 0.00 H HETATM 72 HE2 UVR A 4 11.655 -1.683 4.906 1.00 0.00 H HETATM 73 CF UVR A 4 13.112 -0.138 5.089 1.00 0.00 C HETATM 74 HF1 UVR A 4 12.692 -0.042 6.078 1.00 0.00 H HETATM 75 HF2 UVR A 4 12.822 0.707 4.480 1.00 0.00 H HETATM 76 CX UVR A 4 14.617 -0.194 5.194 1.00 0.00 C HETATM 77 OX UVR A 4 15.150 -0.400 6.283 1.00 0.00 O HETATM 78 CY UVR A 4 15.468 0.002 3.961 1.00 0.00 C HETATM 79 HY1 UVR A 4 14.852 -0.054 3.079 1.00 0.00 H HETATM 80 HY2 UVR A 4 16.240 -0.756 3.928 1.00 0.00 H HETATM 81 CZ UVR A 4 16.123 1.365 4.003 1.00 0.00 C HETATM 82 HZ1 UVR A 4 17.180 1.376 4.228 1.00 0.00 H HETATM 83 HZ2 UVR A 4 15.655 2.129 4.606 1.00 0.00 H HETATM 84 HZ3 UVR A 4 16.357 1.806 3.045 1.00 0.00 H HETATM 85 C UVR A 4 9.791 0.280 -0.381 1.00 0.00 C HETATM 86 O UVR A 4 10.324 0.840 -1.340 1.00 0.00 O TER 87 UVR A 4 ENDMDL MODEL 20 ATOM 1 N TRP A 1 8.473 0.243 -0.221 1.00 0.00 N ATOM 2 CA TRP A 1 7.591 0.848 -1.192 1.00 0.00 C ATOM 3 C TRP A 1 6.812 2.001 -0.574 1.00 0.00 C ATOM 4 O TRP A 1 7.019 3.162 -0.930 1.00 0.00 O ATOM 5 CB TRP A 1 6.664 -0.169 -1.787 1.00 0.00 C ATOM 6 CG TRP A 1 6.942 -0.266 -3.235 1.00 0.00 C ATOM 7 CD1 TRP A 1 7.634 -1.228 -3.851 1.00 0.00 C ATOM 8 CD2 TRP A 1 6.628 0.701 -4.216 1.00 0.00 C ATOM 9 NE1 TRP A 1 7.686 -0.989 -5.206 1.00 0.00 N ATOM 10 CE2 TRP A 1 7.072 0.212 -5.453 1.00 0.00 C ATOM 11 CE3 TRP A 1 5.978 1.915 -4.158 1.00 0.00 C ATOM 12 CZ2 TRP A 1 6.880 0.914 -6.640 1.00 0.00 C ATOM 13 CZ3 TRP A 1 5.787 2.628 -5.327 1.00 0.00 C ATOM 14 CH2 TRP A 1 6.232 2.121 -6.558 1.00 0.00 C ATOM 15 H1 TRP A 1 8.107 0.028 0.647 1.00 0.00 H ATOM 16 HA TRP A 1 8.192 1.213 -1.993 1.00 0.00 H ATOM 17 HB2 TRP A 1 6.831 -1.134 -1.327 1.00 0.00 H ATOM 18 HB3 TRP A 1 5.639 0.138 -1.651 1.00 0.00 H ATOM 19 HD1 TRP A 1 8.047 -2.057 -3.332 1.00 0.00 H ATOM 20 HE1 TRP A 1 8.099 -1.572 -5.877 1.00 0.00 H ATOM 21 HE3 TRP A 1 5.660 2.311 -3.205 1.00 0.00 H ATOM 22 HZ2 TRP A 1 7.217 0.534 -7.592 1.00 0.00 H ATOM 23 HZ3 TRP A 1 5.282 3.581 -5.301 1.00 0.00 H ATOM 24 HH2 TRP A 1 6.066 2.707 -7.450 1.00 0.00 H ATOM 25 N LEU A 2 6.088 1.695 0.499 1.00 0.00 N ATOM 26 CA LEU A 2 5.494 2.720 1.338 1.00 0.00 C ATOM 27 C LEU A 2 6.572 3.396 2.179 1.00 0.00 C ATOM 28 O LEU A 2 7.112 4.428 1.782 1.00 0.00 O ATOM 29 CB LEU A 2 4.420 2.115 2.244 1.00 0.00 C ATOM 30 CG LEU A 2 3.237 1.479 1.511 1.00 0.00 C ATOM 31 CD1 LEU A 2 2.782 0.215 2.223 1.00 0.00 C ATOM 32 CD2 LEU A 2 2.088 2.469 1.395 1.00 0.00 C ATOM 33 H LEU A 2 6.065 0.776 0.803 1.00 0.00 H ATOM 34 HA LEU A 2 5.046 3.443 0.691 1.00 0.00 H ATOM 35 HB2 LEU A 2 4.883 1.359 2.862 1.00 0.00 H ATOM 36 HB3 LEU A 2 4.039 2.896 2.885 1.00 0.00 H ATOM 37 HG LEU A 2 3.546 1.205 0.512 1.00 0.00 H ATOM 38 HD11 LEU A 2 2.064 -0.307 1.608 1.00 0.00 H ATOM 39 HD12 LEU A 2 2.325 0.478 3.166 1.00 0.00 H ATOM 40 HD13 LEU A 2 3.634 -0.424 2.403 1.00 0.00 H ATOM 41 HD21 LEU A 2 2.443 3.381 0.938 1.00 0.00 H ATOM 42 HD22 LEU A 2 1.699 2.687 2.378 1.00 0.00 H ATOM 43 HD23 LEU A 2 1.305 2.042 0.784 1.00 0.00 H HETATM 44 CG B3A A 3 8.358 2.674 5.248 1.00 0.00 C HETATM 45 CB B3A A 3 8.359 2.972 3.749 1.00 0.00 C HETATM 46 N B3A A 3 7.095 2.640 3.138 1.00 0.00 N HETATM 47 CA B3A A 3 9.680 2.155 3.739 1.00 0.00 C HETATM 48 C B3A A 3 10.192 1.812 2.370 1.00 0.00 C HETATM 49 O B3A A 3 11.071 2.479 1.825 1.00 0.00 O HETATM 50 HG1 B3A A 3 7.554 3.224 5.715 1.00 0.00 H HETATM 51 HG2 B3A A 3 9.297 2.980 5.690 1.00 0.00 H HETATM 52 HG3 B3A A 3 8.204 1.616 5.413 1.00 0.00 H HETATM 53 HB B3A A 3 8.515 4.019 3.678 1.00 0.00 H HETATM 54 H B3A A 3 6.789 1.731 3.232 1.00 0.00 H HETATM 55 HA1 B3A A 3 9.509 1.220 4.254 1.00 0.00 H HETATM 56 HA2 B3A A 3 10.448 2.714 4.252 1.00 0.00 H HETATM 57 N UVR A 4 9.919 0.558 2.020 1.00 0.00 N HETATM 58 HN UVR A 4 9.104 0.154 2.347 1.00 0.00 H HETATM 59 CA UVR A 4 10.580 -0.068 0.903 1.00 0.00 C HETATM 60 HA UVR A 4 11.558 0.357 0.831 1.00 0.00 H HETATM 61 CB UVR A 4 10.692 -1.583 1.132 1.00 0.00 C HETATM 62 HB1 UVR A 4 9.978 -1.872 1.889 1.00 0.00 H HETATM 63 HB2 UVR A 4 11.686 -1.806 1.490 1.00 0.00 H HETATM 64 CG UVR A 4 10.437 -2.429 -0.107 1.00 0.00 C HETATM 65 HG1 UVR A 4 9.449 -2.208 -0.481 1.00 0.00 H HETATM 66 HG2 UVR A 4 10.497 -3.472 0.163 1.00 0.00 H HETATM 67 CD UVR A 4 11.457 -2.143 -1.197 1.00 0.00 C HETATM 68 HD1 UVR A 4 12.374 -1.803 -0.739 1.00 0.00 H HETATM 69 HD2 UVR A 4 11.068 -1.372 -1.846 1.00 0.00 H HETATM 70 CE UVR A 4 11.747 -3.383 -2.025 1.00 0.00 C HETATM 71 HE1 UVR A 4 10.880 -4.028 -2.007 1.00 0.00 H HETATM 72 HE2 UVR A 4 12.592 -3.902 -1.596 1.00 0.00 H HETATM 73 CF UVR A 4 12.069 -3.028 -3.469 1.00 0.00 C HETATM 74 HF1 UVR A 4 12.948 -2.403 -3.493 1.00 0.00 H HETATM 75 HF2 UVR A 4 11.228 -2.501 -3.899 1.00 0.00 H HETATM 76 CX UVR A 4 12.334 -4.288 -4.255 1.00 0.00 C HETATM 77 OX UVR A 4 13.488 -4.685 -4.409 1.00 0.00 O HETATM 78 CY UVR A 4 11.183 -5.063 -4.852 1.00 0.00 C HETATM 79 HY1 UVR A 4 11.525 -5.626 -5.706 1.00 0.00 H HETATM 80 HY2 UVR A 4 10.398 -4.378 -5.146 1.00 0.00 H HETATM 81 CZ UVR A 4 10.630 -6.031 -3.830 1.00 0.00 C HETATM 82 HZ1 UVR A 4 10.257 -6.967 -4.219 1.00 0.00 H HETATM 83 HZ2 UVR A 4 9.900 -5.657 -3.128 1.00 0.00 H HETATM 84 HZ3 UVR A 4 11.361 -6.594 -3.269 1.00 0.00 H HETATM 85 C UVR A 4 9.797 0.249 -0.369 1.00 0.00 C HETATM 86 O UVR A 4 10.356 0.758 -1.341 1.00 0.00 O TER 87 UVR A 4 ENDMDL MODEL 21 ATOM 1 N TRP A 1 8.472 0.221 -0.222 1.00 0.00 N ATOM 2 CA TRP A 1 7.570 0.810 -1.181 1.00 0.00 C ATOM 3 C TRP A 1 6.822 1.990 -0.571 1.00 0.00 C ATOM 4 O TRP A 1 7.067 3.142 -0.930 1.00 0.00 O ATOM 5 CB TRP A 1 6.613 -0.210 -1.715 1.00 0.00 C ATOM 6 CG TRP A 1 6.840 -0.351 -3.170 1.00 0.00 C ATOM 7 CD1 TRP A 1 7.505 -1.334 -3.781 1.00 0.00 C ATOM 8 CD2 TRP A 1 6.499 0.591 -4.166 1.00 0.00 C ATOM 9 NE1 TRP A 1 7.512 -1.134 -5.143 1.00 0.00 N ATOM 10 CE2 TRP A 1 6.896 0.064 -5.402 1.00 0.00 C ATOM 11 CE3 TRP A 1 5.858 1.810 -4.117 1.00 0.00 C ATOM 12 CZ2 TRP A 1 6.666 0.735 -6.601 1.00 0.00 C ATOM 13 CZ3 TRP A 1 5.631 2.492 -5.298 1.00 0.00 C ATOM 14 CH2 TRP A 1 6.029 1.948 -6.530 1.00 0.00 C ATOM 15 H1 TRP A 1 8.117 -0.016 0.645 1.00 0.00 H ATOM 16 HA TRP A 1 8.148 1.145 -2.010 1.00 0.00 H ATOM 17 HB2 TRP A 1 6.786 -1.165 -1.237 1.00 0.00 H ATOM 18 HB3 TRP A 1 5.595 0.110 -1.555 1.00 0.00 H ATOM 19 HD1 TRP A 1 7.931 -2.150 -3.254 1.00 0.00 H ATOM 20 HE1 TRP A 1 7.897 -1.738 -5.812 1.00 0.00 H ATOM 21 HE3 TRP A 1 5.578 2.233 -3.164 1.00 0.00 H ATOM 22 HZ2 TRP A 1 6.967 0.326 -7.554 1.00 0.00 H ATOM 23 HZ3 TRP A 1 5.133 3.449 -5.281 1.00 0.00 H ATOM 24 HH2 TRP A 1 5.835 2.511 -7.431 1.00 0.00 H ATOM 25 N LEU A 2 6.080 1.709 0.496 1.00 0.00 N ATOM 26 CA LEU A 2 5.503 2.752 1.322 1.00 0.00 C ATOM 27 C LEU A 2 6.584 3.404 2.179 1.00 0.00 C ATOM 28 O LEU A 2 7.136 4.437 1.802 1.00 0.00 O ATOM 29 CB LEU A 2 4.395 2.182 2.211 1.00 0.00 C ATOM 30 CG LEU A 2 3.319 1.385 1.473 1.00 0.00 C ATOM 31 CD1 LEU A 2 3.721 -0.078 1.361 1.00 0.00 C ATOM 32 CD2 LEU A 2 1.978 1.519 2.178 1.00 0.00 C ATOM 33 H LEU A 2 6.021 0.790 0.797 1.00 0.00 H ATOM 34 HA LEU A 2 5.086 3.485 0.666 1.00 0.00 H ATOM 35 HB2 LEU A 2 4.849 1.537 2.949 1.00 0.00 H ATOM 36 HB3 LEU A 2 3.915 3.003 2.722 1.00 0.00 H ATOM 37 HG LEU A 2 3.212 1.777 0.471 1.00 0.00 H ATOM 38 HD11 LEU A 2 4.381 -0.333 2.178 1.00 0.00 H ATOM 39 HD12 LEU A 2 4.230 -0.241 0.423 1.00 0.00 H ATOM 40 HD13 LEU A 2 2.838 -0.698 1.405 1.00 0.00 H ATOM 41 HD21 LEU A 2 1.182 1.469 1.450 1.00 0.00 H ATOM 42 HD22 LEU A 2 1.936 2.468 2.692 1.00 0.00 H ATOM 43 HD23 LEU A 2 1.866 0.716 2.892 1.00 0.00 H HETATM 44 CG B3A A 3 8.327 2.620 5.260 1.00 0.00 C HETATM 45 CB B3A A 3 8.347 2.949 3.768 1.00 0.00 C HETATM 46 N B3A A 3 7.090 2.633 3.136 1.00 0.00 N HETATM 47 CA B3A A 3 9.666 2.128 3.756 1.00 0.00 C HETATM 48 C B3A A 3 10.194 1.811 2.388 1.00 0.00 C HETATM 49 O B3A A 3 11.079 2.488 1.864 1.00 0.00 O HETATM 50 HG1 B3A A 3 7.519 3.161 5.729 1.00 0.00 H HETATM 51 HG2 B3A A 3 9.261 2.914 5.720 1.00 0.00 H HETATM 52 HG3 B3A A 3 8.169 1.559 5.402 1.00 0.00 H HETATM 53 HB B3A A 3 8.508 3.996 3.722 1.00 0.00 H HETATM 54 H B3A A 3 6.773 1.727 3.218 1.00 0.00 H HETATM 55 HA1 B3A A 3 9.486 1.183 4.252 1.00 0.00 H HETATM 56 HA2 B3A A 3 10.429 2.674 4.290 1.00 0.00 H HETATM 57 N UVR A 4 9.924 0.564 2.015 1.00 0.00 N HETATM 58 HN UVR A 4 9.108 0.154 2.331 1.00 0.00 H HETATM 59 CA UVR A 4 10.590 -0.041 0.886 1.00 0.00 C HETATM 60 HA UVR A 4 11.560 0.400 0.811 1.00 0.00 H HETATM 61 CB UVR A 4 10.727 -1.554 1.080 1.00 0.00 C HETATM 62 HB1 UVR A 4 11.474 -1.926 0.394 1.00 0.00 H HETATM 63 HB2 UVR A 4 9.779 -2.020 0.854 1.00 0.00 H HETATM 64 CG UVR A 4 11.131 -1.954 2.490 1.00 0.00 C HETATM 65 HG1 UVR A 4 11.223 -3.029 2.535 1.00 0.00 H HETATM 66 HG2 UVR A 4 10.369 -1.625 3.180 1.00 0.00 H HETATM 67 CD UVR A 4 12.458 -1.328 2.888 1.00 0.00 C HETATM 68 HD1 UVR A 4 12.556 -0.371 2.395 1.00 0.00 H HETATM 69 HD2 UVR A 4 13.261 -1.980 2.577 1.00 0.00 H HETATM 70 CE UVR A 4 12.547 -1.121 4.392 1.00 0.00 C HETATM 71 HE1 UVR A 4 11.547 -1.050 4.794 1.00 0.00 H HETATM 72 HE2 UVR A 4 13.083 -0.204 4.588 1.00 0.00 H HETATM 73 CF UVR A 4 13.274 -2.271 5.070 1.00 0.00 C HETATM 74 HF1 UVR A 4 13.384 -2.053 6.120 1.00 0.00 H HETATM 75 HF2 UVR A 4 14.247 -2.395 4.614 1.00 0.00 H HETATM 76 CX UVR A 4 12.474 -3.541 4.911 1.00 0.00 C HETATM 77 OX UVR A 4 13.002 -4.544 4.432 1.00 0.00 O HETATM 78 CY UVR A 4 11.026 -3.581 5.338 1.00 0.00 C HETATM 79 HY1 UVR A 4 10.399 -3.786 4.485 1.00 0.00 H HETATM 80 HY2 UVR A 4 10.752 -2.634 5.785 1.00 0.00 H HETATM 81 CZ UVR A 4 10.822 -4.679 6.357 1.00 0.00 C HETATM 82 HZ1 UVR A 4 11.362 -5.597 6.178 1.00 0.00 H HETATM 83 HZ2 UVR A 4 9.807 -4.945 6.613 1.00 0.00 H HETATM 84 HZ3 UVR A 4 11.372 -4.575 7.281 1.00 0.00 H HETATM 85 C UVR A 4 9.795 0.265 -0.377 1.00 0.00 C HETATM 86 O UVR A 4 10.336 0.797 -1.346 1.00 0.00 O TER 87 UVR A 4 ENDMDL MODEL 22 ATOM 1 N TRP A 1 8.475 0.261 -0.207 1.00 0.00 N ATOM 2 CA TRP A 1 7.596 0.856 -1.183 1.00 0.00 C ATOM 3 C TRP A 1 6.810 2.008 -0.571 1.00 0.00 C ATOM 4 O TRP A 1 7.026 3.170 -0.918 1.00 0.00 O ATOM 5 CB TRP A 1 6.674 -0.166 -1.774 1.00 0.00 C ATOM 6 CG TRP A 1 6.948 -0.266 -3.223 1.00 0.00 C ATOM 7 CD1 TRP A 1 7.642 -1.225 -3.839 1.00 0.00 C ATOM 8 CD2 TRP A 1 6.626 0.699 -4.205 1.00 0.00 C ATOM 9 NE1 TRP A 1 7.689 -0.989 -5.195 1.00 0.00 N ATOM 10 CE2 TRP A 1 7.068 0.209 -5.442 1.00 0.00 C ATOM 11 CE3 TRP A 1 5.971 1.910 -4.145 1.00 0.00 C ATOM 12 CZ2 TRP A 1 6.869 0.908 -6.629 1.00 0.00 C ATOM 13 CZ3 TRP A 1 5.774 2.619 -5.316 1.00 0.00 C ATOM 14 CH2 TRP A 1 6.216 2.112 -6.547 1.00 0.00 C ATOM 15 H1 TRP A 1 8.115 0.076 0.671 1.00 0.00 H ATOM 16 HA TRP A 1 8.198 1.221 -1.984 1.00 0.00 H ATOM 17 HB2 TRP A 1 6.847 -1.129 -1.314 1.00 0.00 H ATOM 18 HB3 TRP A 1 5.647 0.134 -1.637 1.00 0.00 H ATOM 19 HD1 TRP A 1 8.061 -2.050 -3.321 1.00 0.00 H ATOM 20 HE1 TRP A 1 8.102 -1.572 -5.866 1.00 0.00 H ATOM 21 HE3 TRP A 1 5.656 2.306 -3.193 1.00 0.00 H ATOM 22 HZ2 TRP A 1 7.204 0.528 -7.582 1.00 0.00 H ATOM 23 HZ3 TRP A 1 5.264 3.571 -5.290 1.00 0.00 H ATOM 24 HH2 TRP A 1 6.044 2.696 -7.440 1.00 0.00 H ATOM 25 N LEU A 2 6.079 1.699 0.496 1.00 0.00 N ATOM 26 CA LEU A 2 5.483 2.722 1.336 1.00 0.00 C ATOM 27 C LEU A 2 6.557 3.396 2.183 1.00 0.00 C ATOM 28 O LEU A 2 7.079 4.444 1.802 1.00 0.00 O ATOM 29 CB LEU A 2 4.402 2.117 2.236 1.00 0.00 C ATOM 30 CG LEU A 2 3.523 1.056 1.570 1.00 0.00 C ATOM 31 CD1 LEU A 2 4.053 -0.340 1.862 1.00 0.00 C ATOM 32 CD2 LEU A 2 2.081 1.189 2.038 1.00 0.00 C ATOM 33 H LEU A 2 6.050 0.779 0.794 1.00 0.00 H ATOM 34 HA LEU A 2 5.038 3.446 0.690 1.00 0.00 H ATOM 35 HB2 LEU A 2 4.883 1.669 3.093 1.00 0.00 H ATOM 36 HB3 LEU A 2 3.763 2.916 2.581 1.00 0.00 H ATOM 37 HG LEU A 2 3.543 1.203 0.500 1.00 0.00 H ATOM 38 HD11 LEU A 2 3.981 -0.946 0.972 1.00 0.00 H ATOM 39 HD12 LEU A 2 3.470 -0.789 2.653 1.00 0.00 H ATOM 40 HD13 LEU A 2 5.087 -0.275 2.170 1.00 0.00 H ATOM 41 HD21 LEU A 2 1.499 0.368 1.647 1.00 0.00 H ATOM 42 HD22 LEU A 2 1.671 2.122 1.683 1.00 0.00 H ATOM 43 HD23 LEU A 2 2.050 1.170 3.117 1.00 0.00 H HETATM 44 CG B3A A 3 8.357 2.681 5.238 1.00 0.00 C HETATM 45 CB B3A A 3 8.359 2.972 3.738 1.00 0.00 C HETATM 46 N B3A A 3 7.098 2.632 3.127 1.00 0.00 N HETATM 47 CA B3A A 3 9.685 2.159 3.733 1.00 0.00 C HETATM 48 C B3A A 3 10.199 1.810 2.366 1.00 0.00 C HETATM 49 O B3A A 3 11.073 2.479 1.816 1.00 0.00 O HETATM 50 HG1 B3A A 3 9.296 2.986 5.679 1.00 0.00 H HETATM 51 HG2 B3A A 3 8.201 1.625 5.409 1.00 0.00 H HETATM 52 HG3 B3A A 3 7.553 3.234 5.701 1.00 0.00 H HETATM 53 HB B3A A 3 8.512 4.019 3.662 1.00 0.00 H HETATM 54 H B3A A 3 6.806 1.717 3.205 1.00 0.00 H HETATM 55 HA1 B3A A 3 9.517 1.228 4.255 1.00 0.00 H HETATM 56 HA2 B3A A 3 10.450 2.726 4.243 1.00 0.00 H HETATM 57 N UVR A 4 9.930 0.554 2.025 1.00 0.00 N HETATM 58 HN UVR A 4 9.120 0.151 2.358 1.00 0.00 H HETATM 59 CA UVR A 4 10.587 -0.072 0.901 1.00 0.00 C HETATM 60 HA UVR A 4 11.558 0.367 0.820 1.00 0.00 H HETATM 61 CB UVR A 4 10.729 -1.587 1.120 1.00 0.00 C HETATM 62 HB1 UVR A 4 11.010 -1.761 2.148 1.00 0.00 H HETATM 63 HB2 UVR A 4 11.516 -1.955 0.480 1.00 0.00 H HETATM 64 CG UVR A 4 9.468 -2.399 0.826 1.00 0.00 C HETATM 65 HG1 UVR A 4 9.751 -3.428 0.661 1.00 0.00 H HETATM 66 HG2 UVR A 4 8.998 -2.010 -0.063 1.00 0.00 H HETATM 67 CD UVR A 4 8.467 -2.344 1.973 1.00 0.00 C HETATM 68 HD1 UVR A 4 7.646 -3.009 1.749 1.00 0.00 H HETATM 69 HD2 UVR A 4 8.095 -1.335 2.068 1.00 0.00 H HETATM 70 CE UVR A 4 9.095 -2.765 3.294 1.00 0.00 C HETATM 71 HE1 UVR A 4 9.732 -1.968 3.648 1.00 0.00 H HETATM 72 HE2 UVR A 4 9.683 -3.655 3.133 1.00 0.00 H HETATM 73 CF UVR A 4 8.036 -3.058 4.346 1.00 0.00 C HETATM 74 HF1 UVR A 4 8.402 -3.818 5.017 1.00 0.00 H HETATM 75 HF2 UVR A 4 7.134 -3.398 3.856 1.00 0.00 H HETATM 76 CX UVR A 4 7.743 -1.803 5.132 1.00 0.00 C HETATM 77 OX UVR A 4 6.625 -1.293 5.082 1.00 0.00 O HETATM 78 CY UVR A 4 8.822 -1.175 5.982 1.00 0.00 C HETATM 79 HY1 UVR A 4 9.083 -0.206 5.584 1.00 0.00 H HETATM 80 HY2 UVR A 4 9.692 -1.818 5.999 1.00 0.00 H HETATM 81 CZ UVR A 4 8.321 -0.992 7.397 1.00 0.00 C HETATM 82 HZ1 UVR A 4 8.454 -0.008 7.822 1.00 0.00 H HETATM 83 HZ2 UVR A 4 8.636 -1.711 8.138 1.00 0.00 H HETATM 84 HZ3 UVR A 4 7.255 -0.859 7.506 1.00 0.00 H HETATM 85 C UVR A 4 9.797 0.230 -0.370 1.00 0.00 C HETATM 86 O UVR A 4 10.358 0.694 -1.363 1.00 0.00 O TER 87 UVR A 4 ENDMDL MODEL 23 ATOM 1 N TRP A 1 8.469 0.207 -0.234 1.00 0.00 N ATOM 2 CA TRP A 1 7.560 0.794 -1.191 1.00 0.00 C ATOM 3 C TRP A 1 6.822 1.979 -0.580 1.00 0.00 C ATOM 4 O TRP A 1 7.058 3.128 -0.953 1.00 0.00 O ATOM 5 CB TRP A 1 6.595 -0.223 -1.715 1.00 0.00 C ATOM 6 CG TRP A 1 6.750 -0.311 -3.183 1.00 0.00 C ATOM 7 CD1 TRP A 1 5.969 0.263 -4.101 1.00 0.00 C ATOM 8 CD2 TRP A 1 7.818 -0.918 -3.878 1.00 0.00 C ATOM 9 NE1 TRP A 1 6.415 -0.040 -5.368 1.00 0.00 N ATOM 10 CE2 TRP A 1 7.571 -0.768 -5.250 1.00 0.00 C ATOM 11 CE3 TRP A 1 8.936 -1.605 -3.458 1.00 0.00 C ATOM 12 CZ2 TRP A 1 8.424 -1.294 -6.217 1.00 0.00 C ATOM 13 CZ3 TRP A 1 9.797 -2.123 -4.407 1.00 0.00 C ATOM 14 CH2 TRP A 1 9.532 -1.971 -5.778 1.00 0.00 C ATOM 15 H1 TRP A 1 8.113 -0.045 0.628 1.00 0.00 H ATOM 16 HA TRP A 1 8.133 1.125 -2.026 1.00 0.00 H ATOM 17 HB2 TRP A 1 6.804 -1.191 -1.279 1.00 0.00 H ATOM 18 HB3 TRP A 1 5.581 0.074 -1.493 1.00 0.00 H ATOM 19 HD1 TRP A 1 5.116 0.841 -3.846 1.00 0.00 H ATOM 20 HE1 TRP A 1 5.987 0.227 -6.207 1.00 0.00 H ATOM 21 HE3 TRP A 1 9.147 -1.696 -2.404 1.00 0.00 H ATOM 22 HZ2 TRP A 1 8.230 -1.182 -7.274 1.00 0.00 H ATOM 23 HZ3 TRP A 1 10.680 -2.664 -4.098 1.00 0.00 H ATOM 24 HH2 TRP A 1 10.228 -2.391 -6.489 1.00 0.00 H ATOM 25 N LEU A 2 6.092 1.706 0.498 1.00 0.00 N ATOM 26 CA LEU A 2 5.521 2.755 1.321 1.00 0.00 C ATOM 27 C LEU A 2 6.605 3.403 2.174 1.00 0.00 C ATOM 28 O LEU A 2 7.185 4.415 1.780 1.00 0.00 O ATOM 29 CB LEU A 2 4.411 2.192 2.214 1.00 0.00 C ATOM 30 CG LEU A 2 2.989 2.405 1.692 1.00 0.00 C ATOM 31 CD1 LEU A 2 2.020 1.455 2.378 1.00 0.00 C ATOM 32 CD2 LEU A 2 2.558 3.850 1.898 1.00 0.00 C ATOM 33 H LEU A 2 6.042 0.791 0.811 1.00 0.00 H ATOM 34 HA LEU A 2 5.106 3.488 0.663 1.00 0.00 H ATOM 35 HB2 LEU A 2 4.575 1.131 2.328 1.00 0.00 H ATOM 36 HB3 LEU A 2 4.486 2.657 3.186 1.00 0.00 H ATOM 37 HG LEU A 2 2.967 2.196 0.632 1.00 0.00 H ATOM 38 HD11 LEU A 2 1.854 1.782 3.394 1.00 0.00 H ATOM 39 HD12 LEU A 2 2.437 0.459 2.384 1.00 0.00 H ATOM 40 HD13 LEU A 2 1.082 1.450 1.843 1.00 0.00 H ATOM 41 HD21 LEU A 2 1.923 4.157 1.080 1.00 0.00 H ATOM 42 HD22 LEU A 2 3.431 4.484 1.934 1.00 0.00 H ATOM 43 HD23 LEU A 2 2.014 3.934 2.827 1.00 0.00 H HETATM 44 CG B3A A 3 8.317 2.600 5.278 1.00 0.00 C HETATM 45 CB B3A A 3 8.342 2.944 3.789 1.00 0.00 C HETATM 46 N B3A A 3 7.084 2.642 3.152 1.00 0.00 N HETATM 47 CA B3A A 3 9.656 2.114 3.772 1.00 0.00 C HETATM 48 C B3A A 3 10.187 1.813 2.400 1.00 0.00 C HETATM 49 O B3A A 3 11.082 2.490 1.894 1.00 0.00 O HETATM 50 HG1 B3A A 3 7.510 3.141 5.751 1.00 0.00 H HETATM 51 HG2 B3A A 3 9.251 2.885 5.743 1.00 0.00 H HETATM 52 HG3 B3A A 3 8.154 1.537 5.409 1.00 0.00 H HETATM 53 HB B3A A 3 8.509 3.991 3.754 1.00 0.00 H HETATM 54 H B3A A 3 6.748 1.744 3.248 1.00 0.00 H HETATM 55 HA1 B3A A 3 9.466 1.164 4.252 1.00 0.00 H HETATM 56 HA2 B3A A 3 10.419 2.647 4.317 1.00 0.00 H HETATM 57 N UVR A 4 9.911 0.574 2.008 1.00 0.00 N HETATM 58 HN UVR A 4 9.089 0.165 2.310 1.00 0.00 H HETATM 59 CA UVR A 4 10.588 -0.027 0.884 1.00 0.00 C HETATM 60 HA UVR A 4 11.550 0.430 0.812 1.00 0.00 H HETATM 61 CB UVR A 4 10.749 -1.539 1.107 1.00 0.00 C HETATM 62 HB1 UVR A 4 10.046 -1.852 1.866 1.00 0.00 H HETATM 63 HB2 UVR A 4 11.750 -1.731 1.460 1.00 0.00 H HETATM 64 CG UVR A 4 10.517 -2.391 -0.133 1.00 0.00 C HETATM 65 HG1 UVR A 4 9.535 -2.171 -0.527 1.00 0.00 H HETATM 66 HG2 UVR A 4 10.570 -3.432 0.144 1.00 0.00 H HETATM 67 CD UVR A 4 11.557 -2.112 -1.206 1.00 0.00 C HETATM 68 HD1 UVR A 4 11.680 -1.043 -1.307 1.00 0.00 H HETATM 69 HD2 UVR A 4 11.215 -2.527 -2.143 1.00 0.00 H HETATM 70 CE UVR A 4 12.900 -2.733 -0.855 1.00 0.00 C HETATM 71 HE1 UVR A 4 13.344 -3.137 -1.754 1.00 0.00 H HETATM 72 HE2 UVR A 4 12.742 -3.527 -0.142 1.00 0.00 H HETATM 73 CF UVR A 4 13.847 -1.705 -0.253 1.00 0.00 C HETATM 74 HF1 UVR A 4 13.277 -0.868 0.115 1.00 0.00 H HETATM 75 HF2 UVR A 4 14.541 -1.374 -1.015 1.00 0.00 H HETATM 76 CX UVR A 4 14.611 -2.326 0.893 1.00 0.00 C HETATM 77 OX UVR A 4 15.258 -3.356 0.714 1.00 0.00 O HETATM 78 CY UVR A 4 14.579 -1.681 2.258 1.00 0.00 C HETATM 79 HY1 UVR A 4 15.290 -2.166 2.908 1.00 0.00 H HETATM 80 HY2 UVR A 4 13.582 -1.756 2.672 1.00 0.00 H HETATM 81 CZ UVR A 4 14.953 -0.220 2.145 1.00 0.00 C HETATM 82 HZ1 UVR A 4 15.235 0.269 3.065 1.00 0.00 H HETATM 83 HZ2 UVR A 4 14.267 0.435 1.627 1.00 0.00 H HETATM 84 HZ3 UVR A 4 15.945 -0.013 1.770 1.00 0.00 H HETATM 85 C UVR A 4 9.791 0.275 -0.383 1.00 0.00 C HETATM 86 O UVR A 4 10.326 0.826 -1.344 1.00 0.00 O TER 87 UVR A 4 ENDMDL MODEL 24 ATOM 1 N TRP A 1 8.473 0.243 -0.222 1.00 0.00 N ATOM 2 CA TRP A 1 7.586 0.836 -1.193 1.00 0.00 C ATOM 3 C TRP A 1 6.808 1.994 -0.581 1.00 0.00 C ATOM 4 O TRP A 1 7.015 3.152 -0.947 1.00 0.00 O ATOM 5 CB TRP A 1 6.655 -0.188 -1.768 1.00 0.00 C ATOM 6 CG TRP A 1 6.921 -0.305 -3.217 1.00 0.00 C ATOM 7 CD1 TRP A 1 6.194 0.223 -4.205 1.00 0.00 C ATOM 8 CD2 TRP A 1 8.055 -0.898 -3.815 1.00 0.00 C ATOM 9 NE1 TRP A 1 6.743 -0.097 -5.427 1.00 0.00 N ATOM 10 CE2 TRP A 1 7.907 -0.789 -5.205 1.00 0.00 C ATOM 11 CE3 TRP A 1 9.158 -1.540 -3.296 1.00 0.00 C ATOM 12 CZ2 TRP A 1 8.844 -1.311 -6.093 1.00 0.00 C ATOM 13 CZ3 TRP A 1 10.100 -2.056 -4.165 1.00 0.00 C ATOM 14 CH2 TRP A 1 9.936 -1.944 -5.555 1.00 0.00 C ATOM 15 H1 TRP A 1 8.109 0.023 0.646 1.00 0.00 H ATOM 16 HA TRP A 1 8.180 1.192 -2.002 1.00 0.00 H ATOM 17 HB2 TRP A 1 6.826 -1.147 -1.298 1.00 0.00 H ATOM 18 HB3 TRP A 1 5.630 0.119 -1.629 1.00 0.00 H ATOM 19 HD1 TRP A 1 5.310 0.781 -4.029 1.00 0.00 H ATOM 20 HE1 TRP A 1 6.371 0.136 -6.303 1.00 0.00 H ATOM 21 HE3 TRP A 1 9.292 -1.600 -2.226 1.00 0.00 H ATOM 22 HZ2 TRP A 1 8.728 -1.231 -7.164 1.00 0.00 H ATOM 23 HZ3 TRP A 1 10.972 -2.562 -3.778 1.00 0.00 H ATOM 24 HH2 TRP A 1 10.693 -2.360 -6.202 1.00 0.00 H ATOM 25 N LEU A 2 6.092 1.697 0.499 1.00 0.00 N ATOM 26 CA LEU A 2 5.504 2.726 1.334 1.00 0.00 C ATOM 27 C LEU A 2 6.581 3.397 2.177 1.00 0.00 C ATOM 28 O LEU A 2 7.136 4.420 1.777 1.00 0.00 O ATOM 29 CB LEU A 2 4.419 2.132 2.236 1.00 0.00 C ATOM 30 CG LEU A 2 3.223 1.529 1.498 1.00 0.00 C ATOM 31 CD1 LEU A 2 3.405 0.029 1.319 1.00 0.00 C ATOM 32 CD2 LEU A 2 1.930 1.823 2.247 1.00 0.00 C ATOM 33 H LEU A 2 6.074 0.780 0.810 1.00 0.00 H ATOM 34 HA LEU A 2 5.063 3.452 0.684 1.00 0.00 H ATOM 35 HB2 LEU A 2 4.869 1.359 2.842 1.00 0.00 H ATOM 36 HB3 LEU A 2 4.057 2.911 2.888 1.00 0.00 H ATOM 37 HG LEU A 2 3.150 1.976 0.516 1.00 0.00 H ATOM 38 HD11 LEU A 2 2.848 -0.495 2.081 1.00 0.00 H ATOM 39 HD12 LEU A 2 4.453 -0.218 1.403 1.00 0.00 H ATOM 40 HD13 LEU A 2 3.044 -0.263 0.344 1.00 0.00 H ATOM 41 HD21 LEU A 2 2.142 1.938 3.299 1.00 0.00 H ATOM 42 HD22 LEU A 2 1.239 1.006 2.106 1.00 0.00 H ATOM 43 HD23 LEU A 2 1.493 2.734 1.865 1.00 0.00 H HETATM 44 CG B3A A 3 8.353 2.651 5.256 1.00 0.00 C HETATM 45 CB B3A A 3 8.355 2.966 3.760 1.00 0.00 C HETATM 46 N B3A A 3 7.091 2.642 3.146 1.00 0.00 N HETATM 47 CA B3A A 3 9.675 2.145 3.741 1.00 0.00 C HETATM 48 C B3A A 3 10.186 1.815 2.369 1.00 0.00 C HETATM 49 O B3A A 3 11.062 2.487 1.827 1.00 0.00 O HETATM 50 HG1 B3A A 3 7.550 3.196 5.728 1.00 0.00 H HETATM 51 HG2 B3A A 3 9.292 2.950 5.702 1.00 0.00 H HETATM 52 HG3 B3A A 3 8.198 1.591 5.410 1.00 0.00 H HETATM 53 HB B3A A 3 8.514 4.013 3.702 1.00 0.00 H HETATM 54 H B3A A 3 6.775 1.737 3.244 1.00 0.00 H HETATM 55 HA1 B3A A 3 9.502 1.207 4.249 1.00 0.00 H HETATM 56 HA2 B3A A 3 10.444 2.700 4.260 1.00 0.00 H HETATM 57 N UVR A 4 9.920 0.559 2.022 1.00 0.00 N HETATM 58 HN UVR A 4 9.115 0.145 2.360 1.00 0.00 H HETATM 59 CA UVR A 4 10.578 -0.063 0.898 1.00 0.00 C HETATM 60 HA UVR A 4 11.558 0.356 0.827 1.00 0.00 H HETATM 61 CB UVR A 4 10.678 -1.576 1.103 1.00 0.00 C HETATM 62 HB1 UVR A 4 11.139 -1.766 2.060 1.00 0.00 H HETATM 63 HB2 UVR A 4 11.299 -1.993 0.324 1.00 0.00 H HETATM 64 CG UVR A 4 9.334 -2.287 1.074 1.00 0.00 C HETATM 65 HG1 UVR A 4 8.833 -2.052 0.145 1.00 0.00 H HETATM 66 HG2 UVR A 4 8.737 -1.942 1.904 1.00 0.00 H HETATM 67 CD UVR A 4 9.498 -3.795 1.179 1.00 0.00 C HETATM 68 HD1 UVR A 4 9.522 -4.072 2.222 1.00 0.00 H HETATM 69 HD2 UVR A 4 10.426 -4.079 0.706 1.00 0.00 H HETATM 70 CE UVR A 4 8.354 -4.529 0.496 1.00 0.00 C HETATM 71 HE1 UVR A 4 8.684 -4.866 -0.475 1.00 0.00 H HETATM 72 HE2 UVR A 4 7.522 -3.849 0.379 1.00 0.00 H HETATM 73 CF UVR A 4 7.898 -5.730 1.310 1.00 0.00 C HETATM 74 HF1 UVR A 4 6.847 -5.898 1.140 1.00 0.00 H HETATM 75 HF2 UVR A 4 8.077 -5.536 2.359 1.00 0.00 H HETATM 76 CX UVR A 4 8.670 -6.954 0.883 1.00 0.00 C HETATM 77 OX UVR A 4 9.542 -7.419 1.615 1.00 0.00 O HETATM 78 CY UVR A 4 8.372 -7.610 -0.445 1.00 0.00 C HETATM 79 HY1 UVR A 4 7.728 -6.972 -1.031 1.00 0.00 H HETATM 80 HY2 UVR A 4 7.898 -8.568 -0.279 1.00 0.00 H HETATM 81 CZ UVR A 4 9.658 -7.826 -1.211 1.00 0.00 C HETATM 82 HZ1 UVR A 4 9.802 -8.814 -1.624 1.00 0.00 H HETATM 83 HZ2 UVR A 4 10.582 -7.536 -0.732 1.00 0.00 H HETATM 84 HZ3 UVR A 4 9.679 -7.438 -2.218 1.00 0.00 H HETATM 85 C UVR A 4 9.796 0.256 -0.371 1.00 0.00 C HETATM 86 O UVR A 4 10.354 0.766 -1.343 1.00 0.00 O TER 87 UVR A 4 ENDMDL MODEL 25 ATOM 1 N TRP A 1 8.468 0.230 -0.230 1.00 0.00 N ATOM 2 CA TRP A 1 7.574 0.816 -1.199 1.00 0.00 C ATOM 3 C TRP A 1 6.804 1.982 -0.592 1.00 0.00 C ATOM 4 O TRP A 1 7.006 3.134 -0.974 1.00 0.00 O ATOM 5 CB TRP A 1 6.637 -0.211 -1.758 1.00 0.00 C ATOM 6 CG TRP A 1 6.892 -0.338 -3.209 1.00 0.00 C ATOM 7 CD1 TRP A 1 6.160 0.186 -4.196 1.00 0.00 C ATOM 8 CD2 TRP A 1 8.020 -0.938 -3.813 1.00 0.00 C ATOM 9 NE1 TRP A 1 6.699 -0.144 -5.419 1.00 0.00 N ATOM 10 CE2 TRP A 1 7.862 -0.836 -5.201 1.00 0.00 C ATOM 11 CE3 TRP A 1 9.124 -1.580 -3.297 1.00 0.00 C ATOM 12 CZ2 TRP A 1 8.792 -1.368 -6.092 1.00 0.00 C ATOM 13 CZ3 TRP A 1 10.060 -2.104 -4.169 1.00 0.00 C ATOM 14 CH2 TRP A 1 9.885 -2.000 -5.558 1.00 0.00 C ATOM 15 H1 TRP A 1 8.107 0.000 0.636 1.00 0.00 H ATOM 16 HA TRP A 1 8.162 1.165 -2.016 1.00 0.00 H ATOM 17 HB2 TRP A 1 6.811 -1.167 -1.284 1.00 0.00 H ATOM 18 HB3 TRP A 1 5.614 0.099 -1.614 1.00 0.00 H ATOM 19 HD1 TRP A 1 5.278 0.748 -4.017 1.00 0.00 H ATOM 20 HE1 TRP A 1 6.321 0.087 -6.294 1.00 0.00 H ATOM 21 HE3 TRP A 1 9.266 -1.635 -2.227 1.00 0.00 H ATOM 22 HZ2 TRP A 1 8.668 -1.293 -7.163 1.00 0.00 H ATOM 23 HZ3 TRP A 1 10.933 -2.610 -3.784 1.00 0.00 H ATOM 24 HH2 TRP A 1 10.637 -2.423 -6.207 1.00 0.00 H ATOM 25 N LEU A 2 6.099 1.696 0.499 1.00 0.00 N ATOM 26 CA LEU A 2 5.519 2.735 1.329 1.00 0.00 C ATOM 27 C LEU A 2 6.603 3.397 2.173 1.00 0.00 C ATOM 28 O LEU A 2 7.179 4.405 1.765 1.00 0.00 O ATOM 29 CB LEU A 2 4.428 2.156 2.230 1.00 0.00 C ATOM 30 CG LEU A 2 3.015 2.202 1.648 1.00 0.00 C ATOM 31 CD1 LEU A 2 2.078 1.314 2.452 1.00 0.00 C ATOM 32 CD2 LEU A 2 2.499 3.633 1.615 1.00 0.00 C ATOM 33 H LEU A 2 6.084 0.784 0.821 1.00 0.00 H ATOM 34 HA LEU A 2 5.088 3.463 0.675 1.00 0.00 H ATOM 35 HB2 LEU A 2 4.675 1.126 2.441 1.00 0.00 H ATOM 36 HB3 LEU A 2 4.427 2.706 3.160 1.00 0.00 H ATOM 37 HG LEU A 2 3.038 1.830 0.633 1.00 0.00 H ATOM 38 HD11 LEU A 2 2.032 0.334 1.999 1.00 0.00 H ATOM 39 HD12 LEU A 2 1.090 1.750 2.464 1.00 0.00 H ATOM 40 HD13 LEU A 2 2.445 1.226 3.464 1.00 0.00 H ATOM 41 HD21 LEU A 2 1.755 3.729 0.837 1.00 0.00 H ATOM 42 HD22 LEU A 2 3.319 4.306 1.414 1.00 0.00 H ATOM 43 HD23 LEU A 2 2.056 3.878 2.569 1.00 0.00 H HETATM 44 CG B3A A 3 8.336 2.626 5.275 1.00 0.00 C HETATM 45 CB B3A A 3 8.349 2.957 3.782 1.00 0.00 C HETATM 46 N B3A A 3 7.088 2.647 3.156 1.00 0.00 N HETATM 47 CA B3A A 3 9.664 2.128 3.763 1.00 0.00 C HETATM 48 C B3A A 3 10.186 1.814 2.391 1.00 0.00 C HETATM 49 O B3A A 3 11.076 2.487 1.872 1.00 0.00 O HETATM 50 HG1 B3A A 3 7.531 3.170 5.748 1.00 0.00 H HETATM 51 HG2 B3A A 3 9.272 2.916 5.730 1.00 0.00 H HETATM 52 HG3 B3A A 3 8.175 1.565 5.416 1.00 0.00 H HETATM 53 HB B3A A 3 8.514 4.004 3.736 1.00 0.00 H HETATM 54 H B3A A 3 6.754 1.748 3.262 1.00 0.00 H HETATM 55 HA1 B3A A 3 9.479 1.183 4.254 1.00 0.00 H HETATM 56 HA2 B3A A 3 10.432 2.668 4.298 1.00 0.00 H HETATM 57 N UVR A 4 9.909 0.570 2.016 1.00 0.00 N HETATM 58 HN UVR A 4 9.091 0.163 2.330 1.00 0.00 H HETATM 59 CA UVR A 4 10.579 -0.040 0.891 1.00 0.00 C HETATM 60 HA UVR A 4 11.551 0.397 0.820 1.00 0.00 H HETATM 61 CB UVR A 4 10.708 -1.552 1.091 1.00 0.00 C HETATM 62 HB1 UVR A 4 11.428 -1.936 0.383 1.00 0.00 H HETATM 63 HB2 UVR A 4 9.750 -2.012 0.902 1.00 0.00 H HETATM 64 CG UVR A 4 11.158 -1.945 2.489 1.00 0.00 C HETATM 65 HG1 UVR A 4 10.873 -2.971 2.673 1.00 0.00 H HETATM 66 HG2 UVR A 4 10.675 -1.300 3.207 1.00 0.00 H HETATM 67 CD UVR A 4 12.666 -1.815 2.648 1.00 0.00 C HETATM 68 HD1 UVR A 4 12.878 -1.352 3.601 1.00 0.00 H HETATM 69 HD2 UVR A 4 13.050 -1.196 1.851 1.00 0.00 H HETATM 70 CE UVR A 4 13.352 -3.171 2.593 1.00 0.00 C HETATM 71 HE1 UVR A 4 12.677 -3.887 2.147 1.00 0.00 H HETATM 72 HE2 UVR A 4 13.596 -3.481 3.599 1.00 0.00 H HETATM 73 CF UVR A 4 14.630 -3.116 1.771 1.00 0.00 C HETATM 74 HF1 UVR A 4 14.476 -2.478 0.914 1.00 0.00 H HETATM 75 HF2 UVR A 4 14.886 -4.115 1.446 1.00 0.00 H HETATM 76 CX UVR A 4 15.751 -2.554 2.612 1.00 0.00 C HETATM 77 OX UVR A 4 15.902 -1.337 2.699 1.00 0.00 O HETATM 78 CY UVR A 4 16.684 -3.486 3.346 1.00 0.00 C HETATM 79 HY1 UVR A 4 17.363 -2.914 3.959 1.00 0.00 H HETATM 80 HY2 UVR A 4 17.236 -4.083 2.634 1.00 0.00 H HETATM 81 CZ UVR A 4 15.888 -4.406 4.245 1.00 0.00 C HETATM 82 HZ1 UVR A 4 16.454 -5.170 4.758 1.00 0.00 H HETATM 83 HZ2 UVR A 4 15.010 -4.877 3.829 1.00 0.00 H HETATM 84 HZ3 UVR A 4 15.616 -4.005 5.209 1.00 0.00 H HETATM 85 C UVR A 4 9.791 0.264 -0.377 1.00 0.00 C HETATM 86 O UVR A 4 10.340 0.786 -1.348 1.00 0.00 O TER 87 UVR A 4 ENDMDL MODEL 26 ATOM 1 N TRP A 1 8.467 0.206 -0.234 1.00 0.00 N ATOM 2 CA TRP A 1 7.553 0.784 -1.190 1.00 0.00 C ATOM 3 C TRP A 1 6.816 1.972 -0.586 1.00 0.00 C ATOM 4 O TRP A 1 7.053 3.119 -0.967 1.00 0.00 O ATOM 5 CB TRP A 1 6.587 -0.243 -1.697 1.00 0.00 C ATOM 6 CG TRP A 1 6.793 -0.407 -3.152 1.00 0.00 C ATOM 7 CD1 TRP A 1 6.039 0.105 -4.126 1.00 0.00 C ATOM 8 CD2 TRP A 1 7.894 -1.037 -3.776 1.00 0.00 C ATOM 9 NE1 TRP A 1 6.534 -0.261 -5.358 1.00 0.00 N ATOM 10 CE2 TRP A 1 7.694 -0.966 -5.161 1.00 0.00 C ATOM 11 CE3 TRP A 1 9.004 -1.684 -3.279 1.00 0.00 C ATOM 12 CZ2 TRP A 1 8.585 -1.531 -6.068 1.00 0.00 C ATOM 13 CZ3 TRP A 1 9.903 -2.242 -4.168 1.00 0.00 C ATOM 14 CH2 TRP A 1 9.686 -2.168 -5.554 1.00 0.00 C ATOM 15 H1 TRP A 1 8.114 -0.059 0.625 1.00 0.00 H ATOM 16 HA TRP A 1 8.122 1.105 -2.032 1.00 0.00 H ATOM 17 HB2 TRP A 1 6.763 -1.189 -1.206 1.00 0.00 H ATOM 18 HB3 TRP A 1 5.572 0.084 -1.528 1.00 0.00 H ATOM 19 HD1 TRP A 1 5.171 0.685 -3.933 1.00 0.00 H ATOM 20 HE1 TRP A 1 6.131 -0.046 -6.226 1.00 0.00 H ATOM 21 HE3 TRP A 1 9.180 -1.715 -2.215 1.00 0.00 H ATOM 22 HZ2 TRP A 1 8.428 -1.480 -7.135 1.00 0.00 H ATOM 23 HZ3 TRP A 1 10.781 -2.752 -3.800 1.00 0.00 H ATOM 24 HH2 TRP A 1 10.411 -2.617 -6.216 1.00 0.00 H ATOM 25 N LEU A 2 6.091 1.707 0.496 1.00 0.00 N ATOM 26 CA LEU A 2 5.526 2.761 1.316 1.00 0.00 C ATOM 27 C LEU A 2 6.614 3.403 2.170 1.00 0.00 C ATOM 28 O LEU A 2 7.201 4.410 1.774 1.00 0.00 O ATOM 29 CB LEU A 2 4.414 2.208 2.210 1.00 0.00 C ATOM 30 CG LEU A 2 3.031 2.150 1.560 1.00 0.00 C ATOM 31 CD1 LEU A 2 2.080 1.314 2.402 1.00 0.00 C ATOM 32 CD2 LEU A 2 2.477 3.553 1.363 1.00 0.00 C ATOM 33 H LEU A 2 6.042 0.794 0.815 1.00 0.00 H ATOM 34 HA LEU A 2 5.117 3.495 0.657 1.00 0.00 H ATOM 35 HB2 LEU A 2 4.689 1.207 2.513 1.00 0.00 H ATOM 36 HB3 LEU A 2 4.346 2.827 3.091 1.00 0.00 H ATOM 37 HG LEU A 2 3.115 1.683 0.589 1.00 0.00 H ATOM 38 HD11 LEU A 2 1.661 1.926 3.187 1.00 0.00 H ATOM 39 HD12 LEU A 2 2.619 0.486 2.839 1.00 0.00 H ATOM 40 HD13 LEU A 2 1.284 0.936 1.777 1.00 0.00 H ATOM 41 HD21 LEU A 2 2.376 4.039 2.322 1.00 0.00 H ATOM 42 HD22 LEU A 2 1.511 3.496 0.884 1.00 0.00 H ATOM 43 HD23 LEU A 2 3.153 4.122 0.740 1.00 0.00 H HETATM 44 CG B3A A 3 8.311 2.588 5.282 1.00 0.00 C HETATM 45 CB B3A A 3 8.341 2.939 3.795 1.00 0.00 C HETATM 46 N B3A A 3 7.085 2.642 3.153 1.00 0.00 N HETATM 47 CA B3A A 3 9.652 2.105 3.779 1.00 0.00 C HETATM 48 C B3A A 3 10.190 1.810 2.408 1.00 0.00 C HETATM 49 O B3A A 3 11.086 2.488 1.909 1.00 0.00 O HETATM 50 HG1 B3A A 3 7.503 3.127 5.755 1.00 0.00 H HETATM 51 HG2 B3A A 3 9.243 2.869 5.752 1.00 0.00 H HETATM 52 HG3 B3A A 3 8.146 1.526 5.408 1.00 0.00 H HETATM 53 HB B3A A 3 8.510 3.986 3.766 1.00 0.00 H HETATM 54 H B3A A 3 6.740 1.747 3.252 1.00 0.00 H HETATM 55 HA1 B3A A 3 9.458 1.154 4.254 1.00 0.00 H HETATM 56 HA2 B3A A 3 10.415 2.634 4.331 1.00 0.00 H HETATM 57 N UVR A 4 9.912 0.573 2.010 1.00 0.00 N HETATM 58 HN UVR A 4 9.088 0.166 2.306 1.00 0.00 H HETATM 59 CA UVR A 4 10.587 -0.019 0.882 1.00 0.00 C HETATM 60 HA UVR A 4 11.551 0.437 0.811 1.00 0.00 H HETATM 61 CB UVR A 4 10.747 -1.533 1.088 1.00 0.00 C HETATM 62 HB1 UVR A 4 10.041 -1.855 1.841 1.00 0.00 H HETATM 63 HB2 UVR A 4 11.747 -1.730 1.444 1.00 0.00 H HETATM 64 CG UVR A 4 10.518 -2.367 -0.163 1.00 0.00 C HETATM 65 HG1 UVR A 4 10.933 -1.843 -1.013 1.00 0.00 H HETATM 66 HG2 UVR A 4 9.457 -2.500 -0.304 1.00 0.00 H HETATM 67 CD UVR A 4 11.178 -3.731 -0.054 1.00 0.00 C HETATM 68 HD1 UVR A 4 12.237 -3.596 0.108 1.00 0.00 H HETATM 69 HD2 UVR A 4 11.018 -4.273 -0.974 1.00 0.00 H HETATM 70 CE UVR A 4 10.601 -4.537 1.099 1.00 0.00 C HETATM 71 HE1 UVR A 4 10.211 -3.857 1.841 1.00 0.00 H HETATM 72 HE2 UVR A 4 11.386 -5.138 1.534 1.00 0.00 H HETATM 73 CF UVR A 4 9.481 -5.455 0.632 1.00 0.00 C HETATM 74 HF1 UVR A 4 9.821 -6.029 -0.215 1.00 0.00 H HETATM 75 HF2 UVR A 4 8.625 -4.854 0.352 1.00 0.00 H HETATM 76 CX UVR A 4 9.098 -6.395 1.747 1.00 0.00 C HETATM 77 OX UVR A 4 8.001 -6.288 2.294 1.00 0.00 O HETATM 78 CY UVR A 4 10.062 -7.469 2.195 1.00 0.00 C HETATM 79 HY1 UVR A 4 9.574 -8.129 2.895 1.00 0.00 H HETATM 80 HY2 UVR A 4 10.928 -7.012 2.653 1.00 0.00 H HETATM 81 CZ UVR A 4 10.511 -8.283 1.002 1.00 0.00 C HETATM 82 HZ1 UVR A 4 10.381 -9.352 1.084 1.00 0.00 H HETATM 83 HZ2 UVR A 4 11.505 -8.105 0.619 1.00 0.00 H HETATM 84 HZ3 UVR A 4 9.837 -8.299 0.159 1.00 0.00 H HETATM 85 C UVR A 4 9.788 0.288 -0.381 1.00 0.00 C HETATM 86 O UVR A 4 10.319 0.851 -1.340 1.00 0.00 O TER 87 UVR A 4 ENDMDL MODEL 27 ATOM 1 N TRP A 1 8.476 0.282 -0.200 1.00 0.00 N ATOM 2 CA TRP A 1 7.616 0.883 -1.190 1.00 0.00 C ATOM 3 C TRP A 1 6.800 2.014 -0.578 1.00 0.00 C ATOM 4 O TRP A 1 6.983 3.180 -0.930 1.00 0.00 O ATOM 5 CB TRP A 1 6.722 -0.138 -1.825 1.00 0.00 C ATOM 6 CG TRP A 1 7.029 -0.199 -3.269 1.00 0.00 C ATOM 7 CD1 TRP A 1 6.329 0.364 -4.259 1.00 0.00 C ATOM 8 CD2 TRP A 1 8.184 -0.761 -3.856 1.00 0.00 C ATOM 9 NE1 TRP A 1 6.915 0.093 -5.474 1.00 0.00 N ATOM 10 CE2 TRP A 1 8.076 -0.599 -5.244 1.00 0.00 C ATOM 11 CE3 TRP A 1 9.274 -1.416 -3.329 1.00 0.00 C ATOM 12 CZ2 TRP A 1 9.042 -1.083 -6.124 1.00 0.00 C ATOM 13 CZ3 TRP A 1 10.246 -1.893 -4.189 1.00 0.00 C ATOM 14 CH2 TRP A 1 10.121 -1.731 -5.578 1.00 0.00 C ATOM 15 H1 TRP A 1 8.115 0.144 0.686 1.00 0.00 H ATOM 16 HA TRP A 1 8.234 1.270 -1.968 1.00 0.00 H ATOM 17 HB2 TRP A 1 6.900 -1.109 -1.385 1.00 0.00 H ATOM 18 HB3 TRP A 1 5.687 0.144 -1.704 1.00 0.00 H ATOM 19 HD1 TRP A 1 5.436 0.911 -4.088 1.00 0.00 H ATOM 20 HE1 TRP A 1 6.566 0.358 -6.352 1.00 0.00 H ATOM 21 HE3 TRP A 1 9.378 -1.515 -2.259 1.00 0.00 H ATOM 22 HZ2 TRP A 1 8.956 -0.963 -7.193 1.00 0.00 H ATOM 23 HZ3 TRP A 1 11.109 -2.409 -3.794 1.00 0.00 H ATOM 24 HH2 TRP A 1 10.900 -2.118 -6.217 1.00 0.00 H ATOM 25 N LEU A 2 6.090 1.691 0.499 1.00 0.00 N ATOM 26 CA LEU A 2 5.487 2.701 1.346 1.00 0.00 C ATOM 27 C LEU A 2 6.559 3.389 2.182 1.00 0.00 C ATOM 28 O LEU A 2 7.095 4.420 1.775 1.00 0.00 O ATOM 29 CB LEU A 2 4.427 2.074 2.256 1.00 0.00 C ATOM 30 CG LEU A 2 3.233 1.454 1.528 1.00 0.00 C ATOM 31 CD1 LEU A 2 3.596 0.083 0.979 1.00 0.00 C ATOM 32 CD2 LEU A 2 2.034 1.357 2.459 1.00 0.00 C ATOM 33 H LEU A 2 6.098 0.773 0.806 1.00 0.00 H ATOM 34 HA LEU A 2 5.023 3.420 0.706 1.00 0.00 H ATOM 35 HB2 LEU A 2 4.900 1.306 2.848 1.00 0.00 H ATOM 36 HB3 LEU A 2 4.055 2.840 2.920 1.00 0.00 H ATOM 37 HG LEU A 2 2.960 2.085 0.694 1.00 0.00 H ATOM 38 HD11 LEU A 2 4.120 0.197 0.041 1.00 0.00 H ATOM 39 HD12 LEU A 2 2.696 -0.492 0.820 1.00 0.00 H ATOM 40 HD13 LEU A 2 4.232 -0.430 1.686 1.00 0.00 H ATOM 41 HD21 LEU A 2 1.463 0.472 2.219 1.00 0.00 H ATOM 42 HD22 LEU A 2 1.413 2.232 2.338 1.00 0.00 H ATOM 43 HD23 LEU A 2 2.377 1.298 3.481 1.00 0.00 H HETATM 44 CG B3A A 3 8.382 2.681 5.236 1.00 0.00 C HETATM 45 CB B3A A 3 8.361 2.980 3.737 1.00 0.00 C HETATM 46 N B3A A 3 7.092 2.641 3.142 1.00 0.00 N HETATM 47 CA B3A A 3 9.689 2.172 3.710 1.00 0.00 C HETATM 48 C B3A A 3 10.180 1.822 2.335 1.00 0.00 C HETATM 49 O B3A A 3 11.040 2.495 1.765 1.00 0.00 O HETATM 50 HG1 B3A A 3 7.582 3.229 5.714 1.00 0.00 H HETATM 51 HG2 B3A A 3 9.325 2.991 5.665 1.00 0.00 H HETATM 52 HG3 B3A A 3 8.234 1.623 5.404 1.00 0.00 H HETATM 53 HB B3A A 3 8.512 4.026 3.665 1.00 0.00 H HETATM 54 H B3A A 3 6.793 1.730 3.240 1.00 0.00 H HETATM 55 HA1 B3A A 3 9.533 1.241 4.234 1.00 0.00 H HETATM 56 HA2 B3A A 3 10.461 2.741 4.206 1.00 0.00 H HETATM 57 N UVR A 4 9.930 0.554 2.024 1.00 0.00 N HETATM 58 HN UVR A 4 9.146 0.129 2.395 1.00 0.00 H HETATM 59 CA UVR A 4 10.582 -0.089 0.909 1.00 0.00 C HETATM 60 HA UVR A 4 11.562 0.329 0.826 1.00 0.00 H HETATM 61 CB UVR A 4 10.687 -1.596 1.147 1.00 0.00 C HETATM 62 HB1 UVR A 4 11.218 -1.763 2.072 1.00 0.00 H HETATM 63 HB2 UVR A 4 11.245 -2.040 0.337 1.00 0.00 H HETATM 64 CG UVR A 4 9.342 -2.297 1.242 1.00 0.00 C HETATM 65 HG1 UVR A 4 8.585 -1.570 1.502 1.00 0.00 H HETATM 66 HG2 UVR A 4 9.394 -3.053 2.010 1.00 0.00 H HETATM 67 CD UVR A 4 8.960 -2.957 -0.075 1.00 0.00 C HETATM 68 HD1 UVR A 4 9.841 -3.038 -0.694 1.00 0.00 H HETATM 69 HD2 UVR A 4 8.223 -2.347 -0.573 1.00 0.00 H HETATM 70 CE UVR A 4 8.382 -4.348 0.145 1.00 0.00 C HETATM 71 HE1 UVR A 4 9.140 -4.974 0.591 1.00 0.00 H HETATM 72 HE2 UVR A 4 8.090 -4.759 -0.810 1.00 0.00 H HETATM 73 CF UVR A 4 7.165 -4.311 1.062 1.00 0.00 C HETATM 74 HF1 UVR A 4 6.929 -3.286 1.301 1.00 0.00 H HETATM 75 HF2 UVR A 4 7.390 -4.859 1.968 1.00 0.00 H HETATM 76 CX UVR A 4 5.982 -4.943 0.370 1.00 0.00 C HETATM 77 OX UVR A 4 6.133 -5.967 -0.295 1.00 0.00 O HETATM 78 CY UVR A 4 4.613 -4.318 0.494 1.00 0.00 C HETATM 79 HY1 UVR A 4 3.864 -5.002 0.125 1.00 0.00 H HETATM 80 HY2 UVR A 4 4.583 -3.393 -0.067 1.00 0.00 H HETATM 81 CZ UVR A 4 4.315 -4.020 1.946 1.00 0.00 C HETATM 82 HZ1 UVR A 4 5.073 -4.317 2.655 1.00 0.00 H HETATM 83 HZ2 UVR A 4 3.360 -4.341 2.339 1.00 0.00 H HETATM 84 HZ3 UVR A 4 4.467 -2.999 2.261 1.00 0.00 H HETATM 85 C UVR A 4 9.797 0.200 -0.366 1.00 0.00 C HETATM 86 O UVR A 4 10.368 0.618 -1.373 1.00 0.00 O TER 87 UVR A 4 ENDMDL MODEL 28 ATOM 1 N TRP A 1 8.467 0.224 -0.231 1.00 0.00 N ATOM 2 CA TRP A 1 7.570 0.810 -1.198 1.00 0.00 C ATOM 3 C TRP A 1 6.806 1.980 -0.591 1.00 0.00 C ATOM 4 O TRP A 1 7.017 3.132 -0.970 1.00 0.00 O ATOM 5 CB TRP A 1 6.628 -0.216 -1.750 1.00 0.00 C ATOM 6 CG TRP A 1 6.885 -0.360 -3.198 1.00 0.00 C ATOM 7 CD1 TRP A 1 6.156 0.157 -4.191 1.00 0.00 C ATOM 8 CD2 TRP A 1 8.012 -0.968 -3.793 1.00 0.00 C ATOM 9 NE1 TRP A 1 6.696 -0.187 -5.411 1.00 0.00 N ATOM 10 CE2 TRP A 1 7.857 -0.881 -5.184 1.00 0.00 C ATOM 11 CE3 TRP A 1 9.114 -1.607 -3.269 1.00 0.00 C ATOM 12 CZ2 TRP A 1 8.786 -1.423 -6.068 1.00 0.00 C ATOM 13 CZ3 TRP A 1 10.050 -2.143 -4.134 1.00 0.00 C ATOM 14 CH2 TRP A 1 9.877 -2.054 -5.525 1.00 0.00 C ATOM 15 H1 TRP A 1 8.106 -0.012 0.633 1.00 0.00 H ATOM 16 HA TRP A 1 8.156 1.154 -2.019 1.00 0.00 H ATOM 17 HB2 TRP A 1 6.794 -1.168 -1.265 1.00 0.00 H ATOM 18 HB3 TRP A 1 5.607 0.101 -1.609 1.00 0.00 H ATOM 19 HD1 TRP A 1 5.276 0.723 -4.019 1.00 0.00 H ATOM 20 HE1 TRP A 1 6.320 0.034 -6.288 1.00 0.00 H ATOM 21 HE3 TRP A 1 9.254 -1.651 -2.199 1.00 0.00 H ATOM 22 HZ2 TRP A 1 8.664 -1.361 -7.139 1.00 0.00 H ATOM 23 HZ3 TRP A 1 10.920 -2.648 -3.743 1.00 0.00 H ATOM 24 HH2 TRP A 1 10.629 -2.485 -6.169 1.00 0.00 H ATOM 25 N LEU A 2 6.097 1.697 0.497 1.00 0.00 N ATOM 26 CA LEU A 2 5.521 2.739 1.327 1.00 0.00 C ATOM 27 C LEU A 2 6.606 3.397 2.171 1.00 0.00 C ATOM 28 O LEU A 2 7.184 4.405 1.763 1.00 0.00 O ATOM 29 CB LEU A 2 4.429 2.162 2.230 1.00 0.00 C ATOM 30 CG LEU A 2 3.156 1.720 1.506 1.00 0.00 C ATOM 31 CD1 LEU A 2 2.494 0.569 2.246 1.00 0.00 C ATOM 32 CD2 LEU A 2 2.193 2.889 1.362 1.00 0.00 C ATOM 33 H LEU A 2 6.075 0.784 0.818 1.00 0.00 H ATOM 34 HA LEU A 2 5.091 3.467 0.673 1.00 0.00 H ATOM 35 HB2 LEU A 2 4.837 1.309 2.752 1.00 0.00 H ATOM 36 HB3 LEU A 2 4.160 2.914 2.958 1.00 0.00 H ATOM 37 HG LEU A 2 3.414 1.375 0.515 1.00 0.00 H ATOM 38 HD11 LEU A 2 3.176 -0.266 2.298 1.00 0.00 H ATOM 39 HD12 LEU A 2 1.598 0.271 1.722 1.00 0.00 H ATOM 40 HD13 LEU A 2 2.236 0.885 3.247 1.00 0.00 H ATOM 41 HD21 LEU A 2 1.510 2.898 2.198 1.00 0.00 H ATOM 42 HD22 LEU A 2 1.636 2.785 0.443 1.00 0.00 H ATOM 43 HD23 LEU A 2 2.750 3.814 1.343 1.00 0.00 H HETATM 44 CG B3A A 3 8.330 2.622 5.276 1.00 0.00 C HETATM 45 CB B3A A 3 8.349 2.955 3.784 1.00 0.00 C HETATM 46 N B3A A 3 7.089 2.646 3.154 1.00 0.00 N HETATM 47 CA B3A A 3 9.663 2.125 3.768 1.00 0.00 C HETATM 48 C B3A A 3 10.189 1.812 2.398 1.00 0.00 C HETATM 49 O B3A A 3 11.080 2.486 1.882 1.00 0.00 O HETATM 50 HG1 B3A A 3 7.524 3.166 5.747 1.00 0.00 H HETATM 51 HG2 B3A A 3 9.265 2.912 5.735 1.00 0.00 H HETATM 52 HG3 B3A A 3 8.169 1.562 5.416 1.00 0.00 H HETATM 53 HB B3A A 3 8.515 4.001 3.739 1.00 0.00 H HETATM 54 H B3A A 3 6.754 1.747 3.259 1.00 0.00 H HETATM 55 HA1 B3A A 3 9.476 1.179 4.258 1.00 0.00 H HETATM 56 HA2 B3A A 3 10.428 2.663 4.306 1.00 0.00 H HETATM 57 N UVR A 4 9.909 0.571 2.017 1.00 0.00 N HETATM 58 HN UVR A 4 9.088 0.166 2.326 1.00 0.00 H HETATM 59 CA UVR A 4 10.578 -0.035 0.890 1.00 0.00 C HETATM 60 HA UVR A 4 11.549 0.404 0.819 1.00 0.00 H HETATM 61 CB UVR A 4 10.710 -1.547 1.086 1.00 0.00 C HETATM 62 HB1 UVR A 4 10.698 -2.026 0.118 1.00 0.00 H HETATM 63 HB2 UVR A 4 9.867 -1.899 1.663 1.00 0.00 H HETATM 64 CG UVR A 4 11.984 -1.957 1.805 1.00 0.00 C HETATM 65 HG1 UVR A 4 12.100 -1.347 2.690 1.00 0.00 H HETATM 66 HG2 UVR A 4 12.825 -1.801 1.146 1.00 0.00 H HETATM 67 CD UVR A 4 11.946 -3.421 2.216 1.00 0.00 C HETATM 68 HD1 UVR A 4 12.514 -4.000 1.502 1.00 0.00 H HETATM 69 HD2 UVR A 4 10.920 -3.757 2.220 1.00 0.00 H HETATM 70 CE UVR A 4 12.536 -3.627 3.601 1.00 0.00 C HETATM 71 HE1 UVR A 4 13.499 -3.140 3.647 1.00 0.00 H HETATM 72 HE2 UVR A 4 12.658 -4.686 3.776 1.00 0.00 H HETATM 73 CF UVR A 4 11.636 -3.049 4.682 1.00 0.00 C HETATM 74 HF1 UVR A 4 11.117 -2.188 4.290 1.00 0.00 H HETATM 75 HF2 UVR A 4 12.241 -2.760 5.530 1.00 0.00 H HETATM 76 CX UVR A 4 10.625 -4.085 5.108 1.00 0.00 C HETATM 77 OX UVR A 4 10.990 -5.075 5.740 1.00 0.00 O HETATM 78 CY UVR A 4 9.167 -3.905 4.760 1.00 0.00 C HETATM 79 HY1 UVR A 4 8.569 -4.614 5.313 1.00 0.00 H HETATM 80 HY2 UVR A 4 9.026 -4.048 3.697 1.00 0.00 H HETATM 81 CZ UVR A 4 8.719 -2.510 5.131 1.00 0.00 C HETATM 82 HZ1 UVR A 4 7.876 -2.447 5.805 1.00 0.00 H HETATM 83 HZ2 UVR A 4 8.546 -1.808 4.329 1.00 0.00 H HETATM 84 HZ3 UVR A 4 9.312 -2.006 5.880 1.00 0.00 H HETATM 85 C UVR A 4 9.789 0.271 -0.378 1.00 0.00 C HETATM 86 O UVR A 4 10.336 0.804 -1.343 1.00 0.00 O TER 87 UVR A 4 ENDMDL MODEL 29 ATOM 1 N TRP A 1 8.468 0.220 -0.231 1.00 0.00 N ATOM 2 CA TRP A 1 7.565 0.802 -1.195 1.00 0.00 C ATOM 3 C TRP A 1 6.809 1.978 -0.590 1.00 0.00 C ATOM 4 O TRP A 1 7.026 3.128 -0.971 1.00 0.00 O ATOM 5 CB TRP A 1 6.615 -0.226 -1.731 1.00 0.00 C ATOM 6 CG TRP A 1 6.849 -0.372 -3.183 1.00 0.00 C ATOM 7 CD1 TRP A 1 7.520 -1.356 -3.787 1.00 0.00 C ATOM 8 CD2 TRP A 1 6.510 0.566 -4.184 1.00 0.00 C ATOM 9 NE1 TRP A 1 7.532 -1.161 -5.150 1.00 0.00 N ATOM 10 CE2 TRP A 1 6.914 0.034 -5.417 1.00 0.00 C ATOM 11 CE3 TRP A 1 5.867 1.784 -4.144 1.00 0.00 C ATOM 12 CZ2 TRP A 1 6.688 0.699 -6.619 1.00 0.00 C ATOM 13 CZ3 TRP A 1 5.645 2.459 -5.330 1.00 0.00 C ATOM 14 CH2 TRP A 1 6.049 1.910 -6.558 1.00 0.00 C ATOM 15 H1 TRP A 1 8.110 -0.023 0.633 1.00 0.00 H ATOM 16 HA TRP A 1 8.145 1.139 -2.023 1.00 0.00 H ATOM 17 HB2 TRP A 1 6.790 -1.177 -1.247 1.00 0.00 H ATOM 18 HB3 TRP A 1 5.596 0.091 -1.575 1.00 0.00 H ATOM 19 HD1 TRP A 1 7.945 -2.168 -3.254 1.00 0.00 H ATOM 20 HE1 TRP A 1 7.922 -1.768 -5.813 1.00 0.00 H ATOM 21 HE3 TRP A 1 5.581 2.212 -3.196 1.00 0.00 H ATOM 22 HZ2 TRP A 1 6.996 0.287 -7.569 1.00 0.00 H ATOM 23 HZ3 TRP A 1 5.144 3.416 -5.319 1.00 0.00 H ATOM 24 HH2 TRP A 1 5.858 2.470 -7.462 1.00 0.00 H ATOM 25 N LEU A 2 6.096 1.701 0.498 1.00 0.00 N ATOM 26 CA LEU A 2 5.522 2.747 1.323 1.00 0.00 C ATOM 27 C LEU A 2 6.607 3.400 2.172 1.00 0.00 C ATOM 28 O LEU A 2 7.186 4.409 1.771 1.00 0.00 O ATOM 29 CB LEU A 2 4.421 2.178 2.221 1.00 0.00 C ATOM 30 CG LEU A 2 3.051 2.038 1.555 1.00 0.00 C ATOM 31 CD1 LEU A 2 2.147 1.135 2.380 1.00 0.00 C ATOM 32 CD2 LEU A 2 2.411 3.404 1.362 1.00 0.00 C ATOM 33 H LEU A 2 6.065 0.788 0.818 1.00 0.00 H ATOM 34 HA LEU A 2 5.100 3.477 0.666 1.00 0.00 H ATOM 35 HB2 LEU A 2 4.734 1.203 2.564 1.00 0.00 H ATOM 36 HB3 LEU A 2 4.313 2.826 3.078 1.00 0.00 H ATOM 37 HG LEU A 2 3.176 1.585 0.582 1.00 0.00 H ATOM 38 HD11 LEU A 2 2.192 1.431 3.417 1.00 0.00 H ATOM 39 HD12 LEU A 2 2.475 0.111 2.283 1.00 0.00 H ATOM 40 HD13 LEU A 2 1.130 1.223 2.025 1.00 0.00 H ATOM 41 HD21 LEU A 2 1.339 3.318 1.467 1.00 0.00 H ATOM 42 HD22 LEU A 2 2.647 3.776 0.376 1.00 0.00 H ATOM 43 HD23 LEU A 2 2.791 4.088 2.106 1.00 0.00 H HETATM 44 CG B3A A 3 8.325 2.611 5.277 1.00 0.00 C HETATM 45 CB B3A A 3 8.345 2.950 3.787 1.00 0.00 C HETATM 46 N B3A A 3 7.087 2.644 3.154 1.00 0.00 N HETATM 47 CA B3A A 3 9.660 2.120 3.770 1.00 0.00 C HETATM 48 C B3A A 3 10.188 1.812 2.399 1.00 0.00 C HETATM 49 O B3A A 3 11.079 2.488 1.886 1.00 0.00 O HETATM 50 HG1 B3A A 3 7.518 3.153 5.749 1.00 0.00 H HETATM 51 HG2 B3A A 3 9.259 2.899 5.739 1.00 0.00 H HETATM 52 HG3 B3A A 3 8.163 1.549 5.412 1.00 0.00 H HETATM 53 HB B3A A 3 8.512 3.997 3.748 1.00 0.00 H HETATM 54 H B3A A 3 6.750 1.747 3.257 1.00 0.00 H HETATM 55 HA1 B3A A 3 9.471 1.172 4.256 1.00 0.00 H HETATM 56 HA2 B3A A 3 10.425 2.656 4.311 1.00 0.00 H HETATM 57 N UVR A 4 9.912 0.571 2.015 1.00 0.00 N HETATM 58 HN UVR A 4 9.092 0.163 2.323 1.00 0.00 H HETATM 59 CA UVR A 4 10.582 -0.031 0.886 1.00 0.00 C HETATM 60 HA UVR A 4 11.551 0.413 0.815 1.00 0.00 H HETATM 61 CB UVR A 4 10.720 -1.542 1.078 1.00 0.00 C HETATM 62 HB1 UVR A 4 10.935 -1.997 0.123 1.00 0.00 H HETATM 63 HB2 UVR A 4 9.785 -1.933 1.452 1.00 0.00 H HETATM 64 CG UVR A 4 11.821 -1.934 2.051 1.00 0.00 C HETATM 65 HG1 UVR A 4 12.522 -1.116 2.133 1.00 0.00 H HETATM 66 HG2 UVR A 4 12.330 -2.808 1.671 1.00 0.00 H HETATM 67 CD UVR A 4 11.263 -2.250 3.430 1.00 0.00 C HETATM 68 HD1 UVR A 4 11.744 -3.141 3.806 1.00 0.00 H HETATM 69 HD2 UVR A 4 10.200 -2.419 3.348 1.00 0.00 H HETATM 70 CE UVR A 4 11.507 -1.109 4.405 1.00 0.00 C HETATM 71 HE1 UVR A 4 10.759 -1.148 5.182 1.00 0.00 H HETATM 72 HE2 UVR A 4 11.429 -0.172 3.874 1.00 0.00 H HETATM 73 CF UVR A 4 12.886 -1.203 5.039 1.00 0.00 C HETATM 74 HF1 UVR A 4 13.638 -1.095 4.275 1.00 0.00 H HETATM 75 HF2 UVR A 4 12.987 -2.164 5.526 1.00 0.00 H HETATM 76 CX UVR A 4 13.052 -0.100 6.056 1.00 0.00 C HETATM 77 OX UVR A 4 13.271 -0.376 7.234 1.00 0.00 O HETATM 78 CY UVR A 4 12.949 1.345 5.626 1.00 0.00 C HETATM 79 HY1 UVR A 4 12.285 1.428 4.779 1.00 0.00 H HETATM 80 HY2 UVR A 4 13.931 1.718 5.369 1.00 0.00 H HETATM 81 CZ UVR A 4 12.388 2.178 6.757 1.00 0.00 C HETATM 82 HZ1 UVR A 4 13.040 2.322 7.606 1.00 0.00 H HETATM 83 HZ2 UVR A 4 11.413 1.915 7.138 1.00 0.00 H HETATM 84 HZ3 UVR A 4 12.401 3.247 6.608 1.00 0.00 H HETATM 85 C UVR A 4 9.790 0.274 -0.379 1.00 0.00 C HETATM 86 O UVR A 4 10.332 0.813 -1.345 1.00 0.00 O TER 87 UVR A 4 ENDMDL MODEL 30 ATOM 1 N TRP A 1 8.468 0.213 -0.232 1.00 0.00 N ATOM 2 CA TRP A 1 7.557 0.790 -1.190 1.00 0.00 C ATOM 3 C TRP A 1 6.815 1.975 -0.586 1.00 0.00 C ATOM 4 O TRP A 1 7.051 3.123 -0.961 1.00 0.00 O ATOM 5 CB TRP A 1 6.596 -0.238 -1.703 1.00 0.00 C ATOM 6 CG TRP A 1 6.806 -0.393 -3.158 1.00 0.00 C ATOM 7 CD1 TRP A 1 7.470 -1.380 -3.766 1.00 0.00 C ATOM 8 CD2 TRP A 1 6.448 0.535 -4.160 1.00 0.00 C ATOM 9 NE1 TRP A 1 7.458 -1.194 -5.131 1.00 0.00 N ATOM 10 CE2 TRP A 1 6.832 -0.002 -5.395 1.00 0.00 C ATOM 11 CE3 TRP A 1 5.802 1.751 -4.116 1.00 0.00 C ATOM 12 CZ2 TRP A 1 6.583 0.653 -6.598 1.00 0.00 C ATOM 13 CZ3 TRP A 1 5.556 2.419 -5.302 1.00 0.00 C ATOM 14 CH2 TRP A 1 5.941 1.864 -6.533 1.00 0.00 C ATOM 15 H1 TRP A 1 8.115 -0.043 0.630 1.00 0.00 H ATOM 16 HA TRP A 1 8.127 1.117 -2.027 1.00 0.00 H ATOM 17 HB2 TRP A 1 6.775 -1.186 -1.217 1.00 0.00 H ATOM 18 HB3 TRP A 1 5.580 0.084 -1.534 1.00 0.00 H ATOM 19 HD1 TRP A 1 7.907 -2.187 -3.236 1.00 0.00 H ATOM 20 HE1 TRP A 1 7.838 -1.804 -5.797 1.00 0.00 H ATOM 21 HE3 TRP A 1 5.533 2.184 -3.165 1.00 0.00 H ATOM 22 HZ2 TRP A 1 6.874 0.236 -7.550 1.00 0.00 H ATOM 23 HZ3 TRP A 1 5.052 3.373 -5.288 1.00 0.00 H ATOM 24 HH2 TRP A 1 5.732 2.415 -7.436 1.00 0.00 H ATOM 25 N LEU A 2 6.089 1.705 0.496 1.00 0.00 N ATOM 26 CA LEU A 2 5.523 2.757 1.318 1.00 0.00 C ATOM 27 C LEU A 2 6.611 3.401 2.171 1.00 0.00 C ATOM 28 O LEU A 2 7.194 4.411 1.774 1.00 0.00 O ATOM 29 CB LEU A 2 4.413 2.201 2.213 1.00 0.00 C ATOM 30 CG LEU A 2 3.192 1.658 1.465 1.00 0.00 C ATOM 31 CD1 LEU A 2 2.780 0.304 2.023 1.00 0.00 C ATOM 32 CD2 LEU A 2 2.034 2.642 1.548 1.00 0.00 C ATOM 33 H LEU A 2 6.043 0.793 0.814 1.00 0.00 H ATOM 34 HA LEU A 2 5.110 3.492 0.660 1.00 0.00 H ATOM 35 HB2 LEU A 2 4.830 1.403 2.811 1.00 0.00 H ATOM 36 HB3 LEU A 2 4.083 2.988 2.873 1.00 0.00 H ATOM 37 HG LEU A 2 3.445 1.525 0.424 1.00 0.00 H ATOM 38 HD11 LEU A 2 2.507 0.411 3.063 1.00 0.00 H ATOM 39 HD12 LEU A 2 3.606 -0.387 1.937 1.00 0.00 H ATOM 40 HD13 LEU A 2 1.936 -0.074 1.467 1.00 0.00 H ATOM 41 HD21 LEU A 2 1.738 2.765 2.579 1.00 0.00 H ATOM 42 HD22 LEU A 2 1.199 2.266 0.975 1.00 0.00 H ATOM 43 HD23 LEU A 2 2.344 3.597 1.146 1.00 0.00 H HETATM 44 CG B3A A 3 8.314 2.597 5.279 1.00 0.00 C HETATM 45 CB B3A A 3 8.342 2.943 3.791 1.00 0.00 C HETATM 46 N B3A A 3 7.086 2.642 3.151 1.00 0.00 N HETATM 47 CA B3A A 3 9.656 2.112 3.777 1.00 0.00 C HETATM 48 C B3A A 3 10.191 1.810 2.407 1.00 0.00 C HETATM 49 O B3A A 3 11.084 2.487 1.899 1.00 0.00 O HETATM 50 HG1 B3A A 3 8.150 1.535 5.409 1.00 0.00 H HETATM 51 HG2 B3A A 3 7.505 3.137 5.750 1.00 0.00 H HETATM 52 HG3 B3A A 3 9.247 2.882 5.747 1.00 0.00 H HETATM 53 HB B3A A 3 8.510 3.989 3.757 1.00 0.00 H HETATM 54 H B3A A 3 6.746 1.745 3.250 1.00 0.00 H HETATM 55 HA1 B3A A 3 9.465 1.163 4.258 1.00 0.00 H HETATM 56 HA2 B3A A 3 10.419 2.646 4.323 1.00 0.00 H HETATM 57 N UVR A 4 9.914 0.571 2.013 1.00 0.00 N HETATM 58 HN UVR A 4 9.092 0.163 2.315 1.00 0.00 H HETATM 59 CA UVR A 4 10.585 -0.023 0.881 1.00 0.00 C HETATM 60 HA UVR A 4 11.552 0.426 0.810 1.00 0.00 H HETATM 61 CB UVR A 4 10.732 -1.535 1.067 1.00 0.00 C HETATM 62 HB1 UVR A 4 11.227 -1.946 0.200 1.00 0.00 H HETATM 63 HB2 UVR A 4 9.748 -1.973 1.150 1.00 0.00 H HETATM 64 CG UVR A 4 11.531 -1.923 2.302 1.00 0.00 C HETATM 65 HG1 UVR A 4 10.897 -2.494 2.964 1.00 0.00 H HETATM 66 HG2 UVR A 4 11.860 -1.024 2.803 1.00 0.00 H HETATM 67 CD UVR A 4 12.750 -2.759 1.942 1.00 0.00 C HETATM 68 HD1 UVR A 4 13.414 -2.793 2.794 1.00 0.00 H HETATM 69 HD2 UVR A 4 13.256 -2.299 1.107 1.00 0.00 H HETATM 70 CE UVR A 4 12.359 -4.178 1.561 1.00 0.00 C HETATM 71 HE1 UVR A 4 13.209 -4.663 1.103 1.00 0.00 H HETATM 72 HE2 UVR A 4 11.541 -4.139 0.858 1.00 0.00 H HETATM 73 CF UVR A 4 11.927 -4.982 2.777 1.00 0.00 C HETATM 74 HF1 UVR A 4 11.567 -5.947 2.457 1.00 0.00 H HETATM 75 HF2 UVR A 4 11.140 -4.448 3.294 1.00 0.00 H HETATM 76 CX UVR A 4 13.103 -5.175 3.702 1.00 0.00 C HETATM 77 OX UVR A 4 13.032 -4.804 4.873 1.00 0.00 O HETATM 78 CY UVR A 4 14.369 -5.822 3.191 1.00 0.00 C HETATM 79 HY1 UVR A 4 14.142 -6.442 2.336 1.00 0.00 H HETATM 80 HY2 UVR A 4 14.816 -6.416 3.976 1.00 0.00 H HETATM 81 CZ UVR A 4 15.352 -4.757 2.762 1.00 0.00 C HETATM 82 HZ1 UVR A 4 15.737 -4.124 3.548 1.00 0.00 H HETATM 83 HZ2 UVR A 4 15.071 -4.116 1.939 1.00 0.00 H HETATM 84 HZ3 UVR A 4 16.363 -5.092 2.581 1.00 0.00 H HETATM 85 C UVR A 4 9.790 0.283 -0.381 1.00 0.00 C HETATM 86 O UVR A 4 10.324 0.835 -1.343 1.00 0.00 O TER 87 UVR A 4 ENDMDL MODEL 31 ATOM 1 N TRP A 1 8.474 0.221 -0.222 1.00 0.00 N ATOM 2 CA TRP A 1 7.570 0.812 -1.179 1.00 0.00 C ATOM 3 C TRP A 1 6.827 1.992 -0.566 1.00 0.00 C ATOM 4 O TRP A 1 7.076 3.145 -0.919 1.00 0.00 O ATOM 5 CB TRP A 1 6.610 -0.206 -1.710 1.00 0.00 C ATOM 6 CG TRP A 1 6.839 -0.358 -3.163 1.00 0.00 C ATOM 7 CD1 TRP A 1 7.501 -1.349 -3.765 1.00 0.00 C ATOM 8 CD2 TRP A 1 6.503 0.578 -4.166 1.00 0.00 C ATOM 9 NE1 TRP A 1 7.511 -1.158 -5.129 1.00 0.00 N ATOM 10 CE2 TRP A 1 6.900 0.040 -5.398 1.00 0.00 C ATOM 11 CE3 TRP A 1 5.868 1.799 -4.129 1.00 0.00 C ATOM 12 CZ2 TRP A 1 6.676 0.702 -6.603 1.00 0.00 C ATOM 13 CZ3 TRP A 1 5.645 2.473 -5.316 1.00 0.00 C ATOM 14 CH2 TRP A 1 6.044 1.917 -6.543 1.00 0.00 C ATOM 15 H1 TRP A 1 8.118 -0.022 0.643 1.00 0.00 H ATOM 16 HA TRP A 1 8.147 1.146 -2.009 1.00 0.00 H ATOM 17 HB2 TRP A 1 6.776 -1.159 -1.225 1.00 0.00 H ATOM 18 HB3 TRP A 1 5.593 0.121 -1.554 1.00 0.00 H ATOM 19 HD1 TRP A 1 7.922 -2.162 -3.232 1.00 0.00 H ATOM 20 HE1 TRP A 1 7.894 -1.771 -5.792 1.00 0.00 H ATOM 21 HE3 TRP A 1 5.587 2.232 -3.181 1.00 0.00 H ATOM 22 HZ2 TRP A 1 6.976 0.284 -7.552 1.00 0.00 H ATOM 23 HZ3 TRP A 1 5.152 3.433 -5.307 1.00 0.00 H ATOM 24 HH2 TRP A 1 5.853 2.475 -7.449 1.00 0.00 H ATOM 25 N LEU A 2 6.077 1.710 0.496 1.00 0.00 N ATOM 26 CA LEU A 2 5.498 2.752 1.323 1.00 0.00 C ATOM 27 C LEU A 2 6.577 3.405 2.182 1.00 0.00 C ATOM 28 O LEU A 2 7.121 4.445 1.810 1.00 0.00 O ATOM 29 CB LEU A 2 4.388 2.181 2.209 1.00 0.00 C ATOM 30 CG LEU A 2 3.491 1.140 1.534 1.00 0.00 C ATOM 31 CD1 LEU A 2 3.979 -0.267 1.842 1.00 0.00 C ATOM 32 CD2 LEU A 2 2.046 1.315 1.976 1.00 0.00 C ATOM 33 H LEU A 2 6.011 0.790 0.791 1.00 0.00 H ATOM 34 HA LEU A 2 5.081 3.485 0.666 1.00 0.00 H ATOM 35 HB2 LEU A 2 4.846 1.724 3.076 1.00 0.00 H ATOM 36 HB3 LEU A 2 3.766 2.998 2.542 1.00 0.00 H ATOM 37 HG LEU A 2 3.534 1.280 0.464 1.00 0.00 H ATOM 38 HD11 LEU A 2 3.362 -0.700 2.616 1.00 0.00 H ATOM 39 HD12 LEU A 2 5.004 -0.228 2.180 1.00 0.00 H ATOM 40 HD13 LEU A 2 3.917 -0.873 0.951 1.00 0.00 H ATOM 41 HD21 LEU A 2 1.387 0.930 1.212 1.00 0.00 H ATOM 42 HD22 LEU A 2 1.841 2.364 2.132 1.00 0.00 H ATOM 43 HD23 LEU A 2 1.882 0.775 2.897 1.00 0.00 H HETATM 44 CG B3A A 3 8.330 2.631 5.256 1.00 0.00 C HETATM 45 CB B3A A 3 8.349 2.952 3.761 1.00 0.00 C HETATM 46 N B3A A 3 7.092 2.631 3.131 1.00 0.00 N HETATM 47 CA B3A A 3 9.670 2.132 3.753 1.00 0.00 C HETATM 48 C B3A A 3 10.196 1.808 2.386 1.00 0.00 C HETATM 49 O B3A A 3 11.079 2.485 1.858 1.00 0.00 O HETATM 50 HG1 B3A A 3 9.264 2.930 5.713 1.00 0.00 H HETATM 51 HG2 B3A A 3 8.176 1.571 5.404 1.00 0.00 H HETATM 52 HG3 B3A A 3 7.520 3.172 5.720 1.00 0.00 H HETATM 53 HB B3A A 3 8.508 3.998 3.709 1.00 0.00 H HETATM 54 H B3A A 3 6.783 1.721 3.207 1.00 0.00 H HETATM 55 HA1 B3A A 3 9.491 1.191 4.254 1.00 0.00 H HETATM 56 HA2 B3A A 3 10.432 2.684 4.284 1.00 0.00 H HETATM 57 N UVR A 4 9.926 0.560 2.017 1.00 0.00 N HETATM 58 HN UVR A 4 9.109 0.153 2.334 1.00 0.00 H HETATM 59 CA UVR A 4 10.589 -0.046 0.887 1.00 0.00 C HETATM 60 HA UVR A 4 11.562 0.390 0.814 1.00 0.00 H HETATM 61 CB UVR A 4 10.716 -1.559 1.075 1.00 0.00 C HETATM 62 HB1 UVR A 4 11.476 -1.931 0.405 1.00 0.00 H HETATM 63 HB2 UVR A 4 9.772 -2.021 0.826 1.00 0.00 H HETATM 64 CG UVR A 4 11.088 -1.970 2.492 1.00 0.00 C HETATM 65 HG1 UVR A 4 10.219 -1.867 3.125 1.00 0.00 H HETATM 66 HG2 UVR A 4 11.874 -1.323 2.849 1.00 0.00 H HETATM 67 CD UVR A 4 11.573 -3.410 2.546 1.00 0.00 C HETATM 68 HD1 UVR A 4 11.809 -3.661 3.570 1.00 0.00 H HETATM 69 HD2 UVR A 4 12.460 -3.505 1.937 1.00 0.00 H HETATM 70 CE UVR A 4 10.517 -4.375 2.031 1.00 0.00 C HETATM 71 HE1 UVR A 4 10.955 -5.359 1.942 1.00 0.00 H HETATM 72 HE2 UVR A 4 10.179 -4.040 1.063 1.00 0.00 H HETATM 73 CF UVR A 4 9.323 -4.450 2.973 1.00 0.00 C HETATM 74 HF1 UVR A 4 9.313 -3.576 3.604 1.00 0.00 H HETATM 75 HF2 UVR A 4 9.407 -5.342 3.579 1.00 0.00 H HETATM 76 CX UVR A 4 8.044 -4.498 2.172 1.00 0.00 C HETATM 77 OX UVR A 4 7.293 -3.524 2.154 1.00 0.00 O HETATM 78 CY UVR A 4 7.686 -5.743 1.395 1.00 0.00 C HETATM 79 HY1 UVR A 4 8.203 -6.594 1.810 1.00 0.00 H HETATM 80 HY2 UVR A 4 7.955 -5.612 0.356 1.00 0.00 H HETATM 81 CZ UVR A 4 6.198 -5.994 1.487 1.00 0.00 C HETATM 82 HZ1 UVR A 4 5.569 -5.330 0.913 1.00 0.00 H HETATM 83 HZ2 UVR A 4 5.763 -6.081 2.472 1.00 0.00 H HETATM 84 HZ3 UVR A 4 5.819 -6.812 0.892 1.00 0.00 H HETATM 85 C UVR A 4 9.796 0.269 -0.376 1.00 0.00 C HETATM 86 O UVR A 4 10.337 0.807 -1.340 1.00 0.00 O TER 87 UVR A 4 ENDMDL MODEL 32 ATOM 1 N TRP A 1 8.467 0.221 -0.232 1.00 0.00 N ATOM 2 CA TRP A 1 7.566 0.804 -1.197 1.00 0.00 C ATOM 3 C TRP A 1 6.809 1.979 -0.589 1.00 0.00 C ATOM 4 O TRP A 1 7.025 3.130 -0.969 1.00 0.00 O ATOM 5 CB TRP A 1 6.617 -0.221 -1.735 1.00 0.00 C ATOM 6 CG TRP A 1 6.860 -0.371 -3.186 1.00 0.00 C ATOM 7 CD1 TRP A 1 6.128 0.146 -4.175 1.00 0.00 C ATOM 8 CD2 TRP A 1 7.979 -0.991 -3.786 1.00 0.00 C ATOM 9 NE1 TRP A 1 6.656 -0.207 -5.397 1.00 0.00 N ATOM 10 CE2 TRP A 1 7.814 -0.908 -5.175 1.00 0.00 C ATOM 11 CE3 TRP A 1 9.079 -1.635 -3.267 1.00 0.00 C ATOM 12 CZ2 TRP A 1 8.733 -1.461 -6.064 1.00 0.00 C ATOM 13 CZ3 TRP A 1 10.004 -2.182 -4.136 1.00 0.00 C ATOM 14 CH2 TRP A 1 9.823 -2.097 -5.526 1.00 0.00 C ATOM 15 H1 TRP A 1 8.108 -0.024 0.631 1.00 0.00 H ATOM 16 HA TRP A 1 8.147 1.143 -2.023 1.00 0.00 H ATOM 17 HB2 TRP A 1 6.784 -1.172 -1.248 1.00 0.00 H ATOM 18 HB3 TRP A 1 5.597 0.100 -1.588 1.00 0.00 H ATOM 19 HD1 TRP A 1 5.253 0.718 -3.999 1.00 0.00 H ATOM 20 HE1 TRP A 1 6.276 0.014 -6.273 1.00 0.00 H ATOM 21 HE3 TRP A 1 9.226 -1.674 -2.198 1.00 0.00 H ATOM 22 HZ2 TRP A 1 8.603 -1.403 -7.134 1.00 0.00 H ATOM 23 HZ3 TRP A 1 10.874 -2.690 -3.748 1.00 0.00 H ATOM 24 HH2 TRP A 1 10.566 -2.538 -6.173 1.00 0.00 H ATOM 25 N LEU A 2 6.097 1.699 0.498 1.00 0.00 N ATOM 26 CA LEU A 2 5.522 2.743 1.325 1.00 0.00 C ATOM 27 C LEU A 2 6.607 3.398 2.171 1.00 0.00 C ATOM 28 O LEU A 2 7.185 4.408 1.766 1.00 0.00 O ATOM 29 CB LEU A 2 4.425 2.170 2.225 1.00 0.00 C ATOM 30 CG LEU A 2 3.183 1.660 1.489 1.00 0.00 C ATOM 31 CD1 LEU A 2 2.710 0.343 2.085 1.00 0.00 C ATOM 32 CD2 LEU A 2 2.071 2.698 1.539 1.00 0.00 C ATOM 33 H LEU A 2 6.071 0.786 0.819 1.00 0.00 H ATOM 34 HA LEU A 2 5.096 3.471 0.670 1.00 0.00 H ATOM 35 HB2 LEU A 2 4.846 1.351 2.791 1.00 0.00 H ATOM 36 HB3 LEU A 2 4.117 2.940 2.915 1.00 0.00 H ATOM 37 HG LEU A 2 3.434 1.486 0.453 1.00 0.00 H ATOM 38 HD11 LEU A 2 3.561 -0.210 2.456 1.00 0.00 H ATOM 39 HD12 LEU A 2 2.211 -0.237 1.323 1.00 0.00 H ATOM 40 HD13 LEU A 2 2.025 0.539 2.896 1.00 0.00 H ATOM 41 HD21 LEU A 2 2.498 3.674 1.720 1.00 0.00 H ATOM 42 HD22 LEU A 2 1.384 2.452 2.335 1.00 0.00 H ATOM 43 HD23 LEU A 2 1.544 2.705 0.597 1.00 0.00 H HETATM 44 CG B3A A 3 8.327 2.619 5.277 1.00 0.00 C HETATM 45 CB B3A A 3 8.347 2.953 3.786 1.00 0.00 C HETATM 46 N B3A A 3 7.088 2.646 3.154 1.00 0.00 N HETATM 47 CA B3A A 3 9.660 2.122 3.771 1.00 0.00 C HETATM 48 C B3A A 3 10.188 1.810 2.400 1.00 0.00 C HETATM 49 O B3A A 3 11.080 2.485 1.885 1.00 0.00 O HETATM 50 HG1 B3A A 3 7.521 3.162 5.748 1.00 0.00 H HETATM 51 HG2 B3A A 3 9.262 2.907 5.738 1.00 0.00 H HETATM 52 HG3 B3A A 3 8.165 1.557 5.416 1.00 0.00 H HETATM 53 HB B3A A 3 8.515 4.000 3.743 1.00 0.00 H HETATM 54 H B3A A 3 6.752 1.748 3.259 1.00 0.00 H HETATM 55 HA1 B3A A 3 9.472 1.176 4.259 1.00 0.00 H HETATM 56 HA2 B3A A 3 10.426 2.660 4.310 1.00 0.00 H HETATM 57 N UVR A 4 9.910 0.570 2.015 1.00 0.00 N HETATM 58 HN UVR A 4 9.088 0.164 2.322 1.00 0.00 H HETATM 59 CA UVR A 4 10.580 -0.032 0.887 1.00 0.00 C HETATM 60 HA UVR A 4 11.550 0.410 0.817 1.00 0.00 H HETATM 61 CB UVR A 4 10.715 -1.544 1.078 1.00 0.00 C HETATM 62 HB1 UVR A 4 11.112 -1.976 0.171 1.00 0.00 H HETATM 63 HB2 UVR A 4 9.737 -1.961 1.266 1.00 0.00 H HETATM 64 CG UVR A 4 11.629 -1.933 2.230 1.00 0.00 C HETATM 65 HG1 UVR A 4 11.298 -1.426 3.125 1.00 0.00 H HETATM 66 HG2 UVR A 4 12.638 -1.632 1.994 1.00 0.00 H HETATM 67 CD UVR A 4 11.607 -3.433 2.474 1.00 0.00 C HETATM 68 HD1 UVR A 4 12.496 -3.870 2.045 1.00 0.00 H HETATM 69 HD2 UVR A 4 10.733 -3.854 2.001 1.00 0.00 H HETATM 70 CE UVR A 4 11.565 -3.757 3.960 1.00 0.00 C HETATM 71 HE1 UVR A 4 12.374 -3.239 4.454 1.00 0.00 H HETATM 72 HE2 UVR A 4 11.685 -4.823 4.089 1.00 0.00 H HETATM 73 CF UVR A 4 10.245 -3.329 4.587 1.00 0.00 C HETATM 74 HF1 UVR A 4 9.896 -4.108 5.247 1.00 0.00 H HETATM 75 HF2 UVR A 4 9.520 -3.157 3.803 1.00 0.00 H HETATM 76 CX UVR A 4 10.445 -2.062 5.382 1.00 0.00 C HETATM 77 OX UVR A 4 9.799 -1.053 5.103 1.00 0.00 O HETATM 78 CY UVR A 4 11.437 -2.033 6.520 1.00 0.00 C HETATM 79 HY1 UVR A 4 11.314 -1.124 7.089 1.00 0.00 H HETATM 80 HY2 UVR A 4 12.442 -2.095 6.127 1.00 0.00 H HETATM 81 CZ UVR A 4 11.196 -3.209 7.440 1.00 0.00 C HETATM 82 HZ1 UVR A 4 11.998 -3.446 8.124 1.00 0.00 H HETATM 83 HZ2 UVR A 4 10.866 -4.135 6.994 1.00 0.00 H HETATM 84 HZ3 UVR A 4 10.567 -3.019 8.296 1.00 0.00 H HETATM 85 C UVR A 4 9.790 0.276 -0.379 1.00 0.00 C HETATM 86 O UVR A 4 10.333 0.816 -1.343 1.00 0.00 O TER 87 UVR A 4 ENDMDL MODEL 33 ATOM 1 N TRP A 1 8.469 0.219 -0.231 1.00 0.00 N ATOM 2 CA TRP A 1 7.566 0.804 -1.192 1.00 0.00 C ATOM 3 C TRP A 1 6.815 1.981 -0.583 1.00 0.00 C ATOM 4 O TRP A 1 7.041 3.132 -0.958 1.00 0.00 O ATOM 5 CB TRP A 1 6.613 -0.219 -1.728 1.00 0.00 C ATOM 6 CG TRP A 1 6.843 -0.361 -3.182 1.00 0.00 C ATOM 7 CD1 TRP A 1 7.508 -1.345 -3.792 1.00 0.00 C ATOM 8 CD2 TRP A 1 6.504 0.582 -4.178 1.00 0.00 C ATOM 9 NE1 TRP A 1 7.517 -1.144 -5.154 1.00 0.00 N ATOM 10 CE2 TRP A 1 6.904 0.055 -5.415 1.00 0.00 C ATOM 11 CE3 TRP A 1 5.866 1.802 -4.132 1.00 0.00 C ATOM 12 CZ2 TRP A 1 6.677 0.725 -6.613 1.00 0.00 C ATOM 13 CZ3 TRP A 1 5.642 2.483 -5.314 1.00 0.00 C ATOM 14 CH2 TRP A 1 6.042 1.939 -6.545 1.00 0.00 C ATOM 15 H1 TRP A 1 8.111 -0.026 0.633 1.00 0.00 H ATOM 16 HA TRP A 1 8.146 1.140 -2.020 1.00 0.00 H ATOM 17 HB2 TRP A 1 6.787 -1.173 -1.249 1.00 0.00 H ATOM 18 HB3 TRP A 1 5.595 0.098 -1.569 1.00 0.00 H ATOM 19 HD1 TRP A 1 7.932 -2.161 -3.264 1.00 0.00 H ATOM 20 HE1 TRP A 1 7.902 -1.750 -5.821 1.00 0.00 H ATOM 21 HE3 TRP A 1 5.583 2.227 -3.181 1.00 0.00 H ATOM 22 HZ2 TRP A 1 6.980 0.315 -7.565 1.00 0.00 H ATOM 23 HZ3 TRP A 1 5.145 3.442 -5.299 1.00 0.00 H ATOM 24 HH2 TRP A 1 5.852 2.502 -7.447 1.00 0.00 H ATOM 25 N LEU A 2 6.092 1.703 0.498 1.00 0.00 N ATOM 26 CA LEU A 2 5.517 2.748 1.323 1.00 0.00 C ATOM 27 C LEU A 2 6.601 3.401 2.174 1.00 0.00 C ATOM 28 O LEU A 2 7.172 4.417 1.778 1.00 0.00 O ATOM 29 CB LEU A 2 4.412 2.180 2.217 1.00 0.00 C ATOM 30 CG LEU A 2 3.225 1.567 1.470 1.00 0.00 C ATOM 31 CD1 LEU A 2 3.395 0.062 1.340 1.00 0.00 C ATOM 32 CD2 LEU A 2 1.920 1.898 2.179 1.00 0.00 C ATOM 33 H LEU A 2 6.053 0.789 0.812 1.00 0.00 H ATOM 34 HA LEU A 2 5.097 3.479 0.666 1.00 0.00 H ATOM 35 HB2 LEU A 2 4.846 1.418 2.848 1.00 0.00 H ATOM 36 HB3 LEU A 2 4.043 2.977 2.845 1.00 0.00 H ATOM 37 HG LEU A 2 3.180 1.985 0.475 1.00 0.00 H ATOM 38 HD11 LEU A 2 3.054 -0.256 0.365 1.00 0.00 H ATOM 39 HD12 LEU A 2 2.815 -0.434 2.104 1.00 0.00 H ATOM 40 HD13 LEU A 2 4.437 -0.195 1.457 1.00 0.00 H ATOM 41 HD21 LEU A 2 1.231 1.073 2.071 1.00 0.00 H ATOM 42 HD22 LEU A 2 1.488 2.787 1.744 1.00 0.00 H ATOM 43 HD23 LEU A 2 2.114 2.070 3.228 1.00 0.00 H HETATM 44 CG B3A A 3 8.325 2.616 5.273 1.00 0.00 C HETATM 45 CB B3A A 3 8.346 2.951 3.782 1.00 0.00 C HETATM 46 N B3A A 3 7.088 2.642 3.150 1.00 0.00 N HETATM 47 CA B3A A 3 9.661 2.121 3.768 1.00 0.00 C HETATM 48 C B3A A 3 10.191 1.811 2.398 1.00 0.00 C HETATM 49 O B3A A 3 11.082 2.486 1.884 1.00 0.00 O HETATM 50 HG1 B3A A 3 7.518 3.159 5.743 1.00 0.00 H HETATM 51 HG2 B3A A 3 9.259 2.906 5.735 1.00 0.00 H HETATM 52 HG3 B3A A 3 8.164 1.555 5.411 1.00 0.00 H HETATM 53 HB B3A A 3 8.511 3.997 3.739 1.00 0.00 H HETATM 54 H B3A A 3 6.757 1.742 3.247 1.00 0.00 H HETATM 55 HA1 B3A A 3 9.474 1.175 4.256 1.00 0.00 H HETATM 56 HA2 B3A A 3 10.426 2.661 4.308 1.00 0.00 H HETATM 57 N UVR A 4 9.913 0.569 2.015 1.00 0.00 N HETATM 58 HN UVR A 4 9.093 0.163 2.322 1.00 0.00 H HETATM 59 CA UVR A 4 10.583 -0.034 0.886 1.00 0.00 C HETATM 60 HA UVR A 4 11.553 0.408 0.815 1.00 0.00 H HETATM 61 CB UVR A 4 10.719 -1.546 1.080 1.00 0.00 C HETATM 62 HB1 UVR A 4 10.857 -2.010 0.113 1.00 0.00 H HETATM 63 HB2 UVR A 4 9.810 -1.923 1.523 1.00 0.00 H HETATM 64 CG UVR A 4 11.885 -1.942 1.969 1.00 0.00 C HETATM 65 HG1 UVR A 4 12.122 -1.117 2.625 1.00 0.00 H HETATM 66 HG2 UVR A 4 12.740 -2.167 1.349 1.00 0.00 H HETATM 67 CD UVR A 4 11.553 -3.163 2.812 1.00 0.00 C HETATM 68 HD1 UVR A 4 10.579 -3.027 3.257 1.00 0.00 H HETATM 69 HD2 UVR A 4 12.295 -3.265 3.589 1.00 0.00 H HETATM 70 CE UVR A 4 11.541 -4.432 1.974 1.00 0.00 C HETATM 71 HE1 UVR A 4 10.798 -4.330 1.196 1.00 0.00 H HETATM 72 HE2 UVR A 4 11.287 -5.268 2.608 1.00 0.00 H HETATM 73 CF UVR A 4 12.899 -4.694 1.336 1.00 0.00 C HETATM 74 HF1 UVR A 4 13.170 -5.726 1.490 1.00 0.00 H HETATM 75 HF2 UVR A 4 13.636 -4.047 1.793 1.00 0.00 H HETATM 76 CX UVR A 4 12.831 -4.416 -0.147 1.00 0.00 C HETATM 77 OX UVR A 4 13.049 -3.281 -0.570 1.00 0.00 O HETATM 78 CY UVR A 4 12.497 -5.529 -1.110 1.00 0.00 C HETATM 79 HY1 UVR A 4 12.304 -6.439 -0.563 1.00 0.00 H HETATM 80 HY2 UVR A 4 13.318 -5.674 -1.798 1.00 0.00 H HETATM 81 CZ UVR A 4 11.255 -5.173 -1.897 1.00 0.00 C HETATM 82 HZ1 UVR A 4 10.862 -4.180 -1.734 1.00 0.00 H HETATM 83 HZ2 UVR A 4 10.424 -5.862 -1.863 1.00 0.00 H HETATM 84 HZ3 UVR A 4 11.413 -4.905 -2.931 1.00 0.00 H HETATM 85 C UVR A 4 9.792 0.273 -0.380 1.00 0.00 C HETATM 86 O UVR A 4 10.333 0.815 -1.343 1.00 0.00 O TER 87 UVR A 4 ENDMDL MODEL 34 ATOM 1 N TRP A 1 8.465 0.198 -0.240 1.00 0.00 N ATOM 2 CA TRP A 1 7.550 0.777 -1.193 1.00 0.00 C ATOM 3 C TRP A 1 6.817 1.968 -0.589 1.00 0.00 C ATOM 4 O TRP A 1 7.055 3.113 -0.973 1.00 0.00 O ATOM 5 CB TRP A 1 6.579 -0.246 -1.697 1.00 0.00 C ATOM 6 CG TRP A 1 6.783 -0.413 -3.151 1.00 0.00 C ATOM 7 CD1 TRP A 1 6.030 0.102 -4.126 1.00 0.00 C ATOM 8 CD2 TRP A 1 7.880 -1.048 -3.776 1.00 0.00 C ATOM 9 NE1 TRP A 1 6.522 -0.268 -5.358 1.00 0.00 N ATOM 10 CE2 TRP A 1 7.679 -0.977 -5.161 1.00 0.00 C ATOM 11 CE3 TRP A 1 8.989 -1.699 -3.279 1.00 0.00 C ATOM 12 CZ2 TRP A 1 8.569 -1.547 -6.068 1.00 0.00 C ATOM 13 CZ3 TRP A 1 9.885 -2.261 -4.168 1.00 0.00 C ATOM 14 CH2 TRP A 1 9.667 -2.188 -5.553 1.00 0.00 C ATOM 15 H1 TRP A 1 8.112 -0.074 0.616 1.00 0.00 H ATOM 16 HA TRP A 1 8.116 1.097 -2.037 1.00 0.00 H ATOM 17 HB2 TRP A 1 6.752 -1.193 -1.205 1.00 0.00 H ATOM 18 HB3 TRP A 1 5.566 0.084 -1.527 1.00 0.00 H ATOM 19 HD1 TRP A 1 5.165 0.685 -3.933 1.00 0.00 H ATOM 20 HE1 TRP A 1 6.120 -0.052 -6.225 1.00 0.00 H ATOM 21 HE3 TRP A 1 9.164 -1.729 -2.215 1.00 0.00 H ATOM 22 HZ2 TRP A 1 8.411 -1.497 -7.135 1.00 0.00 H ATOM 23 HZ3 TRP A 1 10.761 -2.776 -3.799 1.00 0.00 H ATOM 24 HH2 TRP A 1 10.389 -2.641 -6.216 1.00 0.00 H ATOM 25 N LEU A 2 6.096 1.705 0.496 1.00 0.00 N ATOM 26 CA LEU A 2 5.533 2.763 1.316 1.00 0.00 C ATOM 27 C LEU A 2 6.623 3.402 2.168 1.00 0.00 C ATOM 28 O LEU A 2 7.219 4.402 1.767 1.00 0.00 O ATOM 29 CB LEU A 2 4.418 2.212 2.209 1.00 0.00 C ATOM 30 CG LEU A 2 3.006 2.345 1.636 1.00 0.00 C ATOM 31 CD1 LEU A 2 2.002 1.622 2.522 1.00 0.00 C ATOM 32 CD2 LEU A 2 2.628 3.811 1.487 1.00 0.00 C ATOM 33 H LEU A 2 6.048 0.794 0.818 1.00 0.00 H ATOM 34 HA LEU A 2 5.127 3.496 0.655 1.00 0.00 H ATOM 35 HB2 LEU A 2 4.615 1.165 2.389 1.00 0.00 H ATOM 36 HB3 LEU A 2 4.450 2.735 3.153 1.00 0.00 H ATOM 37 HG LEU A 2 2.976 1.889 0.658 1.00 0.00 H ATOM 38 HD11 LEU A 2 1.063 2.155 2.512 1.00 0.00 H ATOM 39 HD12 LEU A 2 2.380 1.577 3.532 1.00 0.00 H ATOM 40 HD13 LEU A 2 1.850 0.619 2.149 1.00 0.00 H ATOM 41 HD21 LEU A 2 2.040 3.942 0.591 1.00 0.00 H ATOM 42 HD22 LEU A 2 3.525 4.409 1.419 1.00 0.00 H ATOM 43 HD23 LEU A 2 2.051 4.124 2.345 1.00 0.00 H HETATM 44 CG B3A A 3 8.307 2.582 5.289 1.00 0.00 C HETATM 45 CB B3A A 3 8.339 2.938 3.804 1.00 0.00 C HETATM 46 N B3A A 3 7.084 2.644 3.158 1.00 0.00 N HETATM 47 CA B3A A 3 9.650 2.103 3.786 1.00 0.00 C HETATM 48 C B3A A 3 10.188 1.811 2.416 1.00 0.00 C HETATM 49 O B3A A 3 11.087 2.489 1.919 1.00 0.00 O HETATM 50 HG1 B3A A 3 7.500 3.123 5.762 1.00 0.00 H HETATM 51 HG2 B3A A 3 9.240 2.861 5.761 1.00 0.00 H HETATM 52 HG3 B3A A 3 8.140 1.521 5.411 1.00 0.00 H HETATM 53 HB B3A A 3 8.511 3.985 3.777 1.00 0.00 H HETATM 54 H B3A A 3 6.735 1.752 3.261 1.00 0.00 H HETATM 55 HA1 B3A A 3 9.452 1.150 4.258 1.00 0.00 H HETATM 56 HA2 B3A A 3 10.413 2.628 4.341 1.00 0.00 H HETATM 57 N UVR A 4 9.907 0.577 2.010 1.00 0.00 N HETATM 58 HN UVR A 4 9.081 0.171 2.304 1.00 0.00 H HETATM 59 CA UVR A 4 10.583 -0.011 0.879 1.00 0.00 C HETATM 60 HA UVR A 4 11.546 0.443 0.809 1.00 0.00 H HETATM 61 CB UVR A 4 10.737 -1.522 1.062 1.00 0.00 C HETATM 62 HB1 UVR A 4 10.646 -2.001 0.098 1.00 0.00 H HETATM 63 HB2 UVR A 4 9.948 -1.878 1.707 1.00 0.00 H HETATM 64 CG UVR A 4 12.069 -1.928 1.671 1.00 0.00 C HETATM 65 HG1 UVR A 4 12.035 -1.752 2.736 1.00 0.00 H HETATM 66 HG2 UVR A 4 12.854 -1.330 1.230 1.00 0.00 H HETATM 67 CD UVR A 4 12.371 -3.397 1.422 1.00 0.00 C HETATM 68 HD1 UVR A 4 12.275 -3.600 0.365 1.00 0.00 H HETATM 69 HD2 UVR A 4 11.663 -3.998 1.972 1.00 0.00 H HETATM 70 CE UVR A 4 13.778 -3.760 1.869 1.00 0.00 C HETATM 71 HE1 UVR A 4 14.482 -3.099 1.385 1.00 0.00 H HETATM 72 HE2 UVR A 4 13.985 -4.781 1.583 1.00 0.00 H HETATM 73 CF UVR A 4 13.935 -3.630 3.377 1.00 0.00 C HETATM 74 HF1 UVR A 4 13.004 -3.895 3.855 1.00 0.00 H HETATM 75 HF2 UVR A 4 14.198 -2.611 3.619 1.00 0.00 H HETATM 76 CX UVR A 4 15.020 -4.564 3.855 1.00 0.00 C HETATM 77 OX UVR A 4 16.168 -4.440 3.431 1.00 0.00 O HETATM 78 CY UVR A 4 14.696 -5.649 4.854 1.00 0.00 C HETATM 79 HY1 UVR A 4 15.369 -6.481 4.719 1.00 0.00 H HETATM 80 HY2 UVR A 4 13.672 -5.971 4.723 1.00 0.00 H HETATM 81 CZ UVR A 4 14.866 -5.119 6.260 1.00 0.00 C HETATM 82 HZ1 UVR A 4 15.325 -5.793 6.967 1.00 0.00 H HETATM 83 HZ2 UVR A 4 14.002 -4.684 6.740 1.00 0.00 H HETATM 84 HZ3 UVR A 4 15.696 -4.445 6.414 1.00 0.00 H HETATM 85 C UVR A 4 9.786 0.293 -0.384 1.00 0.00 C HETATM 86 O UVR A 4 10.314 0.868 -1.336 1.00 0.00 O TER 87 UVR A 4 ENDMDL MODEL 35 ATOM 1 N TRP A 1 8.466 0.197 -0.237 1.00 0.00 N ATOM 2 CA TRP A 1 7.546 0.769 -1.189 1.00 0.00 C ATOM 3 C TRP A 1 6.818 1.966 -0.589 1.00 0.00 C ATOM 4 O TRP A 1 7.060 3.109 -0.975 1.00 0.00 O ATOM 5 CB TRP A 1 6.572 -0.257 -1.678 1.00 0.00 C ATOM 6 CG TRP A 1 6.771 -0.441 -3.132 1.00 0.00 C ATOM 7 CD1 TRP A 1 7.416 -1.448 -3.726 1.00 0.00 C ATOM 8 CD2 TRP A 1 6.421 0.474 -4.148 1.00 0.00 C ATOM 9 NE1 TRP A 1 7.400 -1.288 -5.093 1.00 0.00 N ATOM 10 CE2 TRP A 1 6.791 -0.092 -5.376 1.00 0.00 C ATOM 11 CE3 TRP A 1 5.793 1.701 -4.125 1.00 0.00 C ATOM 12 CZ2 TRP A 1 6.546 0.545 -6.589 1.00 0.00 C ATOM 13 CZ3 TRP A 1 5.551 2.350 -5.322 1.00 0.00 C ATOM 14 CH2 TRP A 1 5.922 1.766 -6.544 1.00 0.00 C ATOM 15 H1 TRP A 1 8.116 -0.074 0.623 1.00 0.00 H ATOM 16 HA TRP A 1 8.108 1.082 -2.038 1.00 0.00 H ATOM 17 HB2 TRP A 1 6.745 -1.200 -1.176 1.00 0.00 H ATOM 18 HB3 TRP A 1 5.560 0.076 -1.509 1.00 0.00 H ATOM 19 HD1 TRP A 1 7.843 -2.254 -3.183 1.00 0.00 H ATOM 20 HE1 TRP A 1 7.767 -1.915 -5.750 1.00 0.00 H ATOM 21 HE3 TRP A 1 5.533 2.156 -3.181 1.00 0.00 H ATOM 22 HZ2 TRP A 1 6.826 0.106 -7.536 1.00 0.00 H ATOM 23 HZ3 TRP A 1 5.062 3.313 -5.325 1.00 0.00 H ATOM 24 HH2 TRP A 1 5.717 2.304 -7.457 1.00 0.00 H ATOM 25 N LEU A 2 6.092 1.710 0.496 1.00 0.00 N ATOM 26 CA LEU A 2 5.533 2.771 1.311 1.00 0.00 C ATOM 27 C LEU A 2 6.623 3.405 2.169 1.00 0.00 C ATOM 28 O LEU A 2 7.218 4.407 1.777 1.00 0.00 O ATOM 29 CB LEU A 2 4.410 2.231 2.200 1.00 0.00 C ATOM 30 CG LEU A 2 3.073 2.008 1.488 1.00 0.00 C ATOM 31 CD1 LEU A 2 2.921 0.551 1.081 1.00 0.00 C ATOM 32 CD2 LEU A 2 1.917 2.439 2.378 1.00 0.00 C ATOM 33 H LEU A 2 6.035 0.798 0.817 1.00 0.00 H ATOM 34 HA LEU A 2 5.134 3.508 0.648 1.00 0.00 H ATOM 35 HB2 LEU A 2 4.733 1.289 2.619 1.00 0.00 H ATOM 36 HB3 LEU A 2 4.251 2.929 3.007 1.00 0.00 H ATOM 37 HG LEU A 2 3.047 2.609 0.591 1.00 0.00 H ATOM 38 HD11 LEU A 2 2.091 0.453 0.398 1.00 0.00 H ATOM 39 HD12 LEU A 2 2.737 -0.051 1.959 1.00 0.00 H ATOM 40 HD13 LEU A 2 3.826 0.215 0.598 1.00 0.00 H ATOM 41 HD21 LEU A 2 0.986 2.317 1.844 1.00 0.00 H ATOM 42 HD22 LEU A 2 2.041 3.475 2.654 1.00 0.00 H ATOM 43 HD23 LEU A 2 1.902 1.828 3.269 1.00 0.00 H HETATM 44 CG B3A A 3 8.299 2.569 5.290 1.00 0.00 C HETATM 45 CB B3A A 3 8.336 2.932 3.806 1.00 0.00 C HETATM 46 N B3A A 3 7.082 2.642 3.156 1.00 0.00 N HETATM 47 CA B3A A 3 9.647 2.096 3.788 1.00 0.00 C HETATM 48 C B3A A 3 10.189 1.810 2.419 1.00 0.00 C HETATM 49 O B3A A 3 11.089 2.491 1.927 1.00 0.00 O HETATM 50 HG1 B3A A 3 8.132 1.507 5.406 1.00 0.00 H HETATM 51 HG2 B3A A 3 7.489 3.106 5.763 1.00 0.00 H HETATM 52 HG3 B3A A 3 9.231 2.846 5.765 1.00 0.00 H HETATM 53 HB B3A A 3 8.508 3.978 3.785 1.00 0.00 H HETATM 54 H B3A A 3 6.731 1.749 3.254 1.00 0.00 H HETATM 55 HA1 B3A A 3 9.447 1.141 4.255 1.00 0.00 H HETATM 56 HA2 B3A A 3 10.408 2.619 4.348 1.00 0.00 H HETATM 57 N UVR A 4 9.911 0.577 2.009 1.00 0.00 N HETATM 58 HN UVR A 4 9.084 0.170 2.300 1.00 0.00 H HETATM 59 CA UVR A 4 10.588 -0.006 0.874 1.00 0.00 C HETATM 60 HA UVR A 4 11.548 0.457 0.803 1.00 0.00 H HETATM 61 CB UVR A 4 10.756 -1.516 1.058 1.00 0.00 C HETATM 62 HB1 UVR A 4 10.585 -2.004 0.110 1.00 0.00 H HETATM 63 HB2 UVR A 4 10.022 -1.864 1.770 1.00 0.00 H HETATM 64 CG UVR A 4 12.134 -1.917 1.560 1.00 0.00 C HETATM 65 HG1 UVR A 4 12.172 -2.994 1.653 1.00 0.00 H HETATM 66 HG2 UVR A 4 12.300 -1.466 2.527 1.00 0.00 H HETATM 67 CD UVR A 4 13.230 -1.463 0.609 1.00 0.00 C HETATM 68 HD1 UVR A 4 13.995 -0.953 1.176 1.00 0.00 H HETATM 69 HD2 UVR A 4 12.807 -0.787 -0.118 1.00 0.00 H HETATM 70 CE UVR A 4 13.859 -2.639 -0.123 1.00 0.00 C HETATM 71 HE1 UVR A 4 13.342 -2.785 -1.059 1.00 0.00 H HETATM 72 HE2 UVR A 4 13.760 -3.524 0.487 1.00 0.00 H HETATM 73 CF UVR A 4 15.333 -2.396 -0.403 1.00 0.00 C HETATM 74 HF1 UVR A 4 15.804 -3.331 -0.665 1.00 0.00 H HETATM 75 HF2 UVR A 4 15.799 -1.981 0.480 1.00 0.00 H HETATM 76 CX UVR A 4 15.478 -1.430 -1.554 1.00 0.00 C HETATM 77 OX UVR A 4 15.911 -0.297 -1.355 1.00 0.00 O HETATM 78 CY UVR A 4 15.090 -1.856 -2.951 1.00 0.00 C HETATM 79 HY1 UVR A 4 14.352 -1.177 -3.347 1.00 0.00 H HETATM 80 HY2 UVR A 4 14.696 -2.863 -2.928 1.00 0.00 H HETATM 81 CZ UVR A 4 16.304 -1.825 -3.852 1.00 0.00 C HETATM 82 HZ1 UVR A 4 17.187 -1.359 -3.440 1.00 0.00 H HETATM 83 HZ2 UVR A 4 16.174 -1.444 -4.855 1.00 0.00 H HETATM 84 HZ3 UVR A 4 16.863 -2.746 -3.923 1.00 0.00 H HETATM 85 C UVR A 4 9.786 0.294 -0.386 1.00 0.00 C HETATM 86 O UVR A 4 10.310 0.864 -1.343 1.00 0.00 O TER 87 UVR A 4 ENDMDL MODEL 36 ATOM 1 N TRP A 1 8.469 0.211 -0.234 1.00 0.00 N ATOM 2 CA TRP A 1 7.567 0.806 -1.191 1.00 0.00 C ATOM 3 C TRP A 1 6.823 1.985 -0.576 1.00 0.00 C ATOM 4 O TRP A 1 7.057 3.135 -0.943 1.00 0.00 O ATOM 5 CB TRP A 1 6.605 -0.210 -1.728 1.00 0.00 C ATOM 6 CG TRP A 1 6.775 -0.291 -3.195 1.00 0.00 C ATOM 7 CD1 TRP A 1 5.996 0.278 -4.119 1.00 0.00 C ATOM 8 CD2 TRP A 1 7.856 -0.885 -3.884 1.00 0.00 C ATOM 9 NE1 TRP A 1 6.457 -0.016 -5.382 1.00 0.00 N ATOM 10 CE2 TRP A 1 7.620 -0.732 -5.257 1.00 0.00 C ATOM 11 CE3 TRP A 1 8.979 -1.560 -3.456 1.00 0.00 C ATOM 12 CZ2 TRP A 1 8.486 -1.245 -6.219 1.00 0.00 C ATOM 13 CZ3 TRP A 1 9.853 -2.067 -4.400 1.00 0.00 C ATOM 14 CH2 TRP A 1 9.599 -1.912 -5.772 1.00 0.00 C ATOM 15 H1 TRP A 1 8.111 -0.042 0.627 1.00 0.00 H ATOM 16 HA TRP A 1 8.144 1.144 -2.019 1.00 0.00 H ATOM 17 HB2 TRP A 1 6.811 -1.179 -1.294 1.00 0.00 H ATOM 18 HB3 TRP A 1 5.590 0.088 -1.514 1.00 0.00 H ATOM 19 HD1 TRP A 1 5.135 0.845 -3.870 1.00 0.00 H ATOM 20 HE1 TRP A 1 6.032 0.250 -6.225 1.00 0.00 H ATOM 21 HE3 TRP A 1 9.182 -1.655 -2.401 1.00 0.00 H ATOM 22 HZ2 TRP A 1 8.301 -1.131 -7.277 1.00 0.00 H ATOM 23 HZ3 TRP A 1 10.738 -2.599 -4.086 1.00 0.00 H ATOM 24 HH2 TRP A 1 10.304 -2.321 -6.479 1.00 0.00 H ATOM 25 N LEU A 2 6.091 1.704 0.498 1.00 0.00 N ATOM 26 CA LEU A 2 5.515 2.748 1.325 1.00 0.00 C ATOM 27 C LEU A 2 6.597 3.402 2.175 1.00 0.00 C ATOM 28 O LEU A 2 7.168 4.418 1.779 1.00 0.00 O ATOM 29 CB LEU A 2 4.414 2.176 2.221 1.00 0.00 C ATOM 30 CG LEU A 2 3.202 1.608 1.478 1.00 0.00 C ATOM 31 CD1 LEU A 2 3.291 0.092 1.387 1.00 0.00 C ATOM 32 CD2 LEU A 2 1.910 2.027 2.165 1.00 0.00 C ATOM 33 H LEU A 2 6.044 0.788 0.807 1.00 0.00 H ATOM 34 HA LEU A 2 5.092 3.478 0.669 1.00 0.00 H ATOM 35 HB2 LEU A 2 4.843 1.387 2.823 1.00 0.00 H ATOM 36 HB3 LEU A 2 4.070 2.961 2.878 1.00 0.00 H ATOM 37 HG LEU A 2 3.189 2.002 0.471 1.00 0.00 H ATOM 38 HD11 LEU A 2 3.776 -0.293 2.272 1.00 0.00 H ATOM 39 HD12 LEU A 2 3.863 -0.183 0.514 1.00 0.00 H ATOM 40 HD13 LEU A 2 2.297 -0.324 1.312 1.00 0.00 H ATOM 41 HD21 LEU A 2 1.069 1.769 1.538 1.00 0.00 H ATOM 42 HD22 LEU A 2 1.920 3.094 2.331 1.00 0.00 H ATOM 43 HD23 LEU A 2 1.823 1.515 3.112 1.00 0.00 H HETATM 44 CG B3A A 3 8.327 2.613 5.271 1.00 0.00 C HETATM 45 CB B3A A 3 8.345 2.950 3.780 1.00 0.00 C HETATM 46 N B3A A 3 7.087 2.642 3.149 1.00 0.00 N HETATM 47 CA B3A A 3 9.661 2.123 3.763 1.00 0.00 C HETATM 48 C B3A A 3 10.188 1.814 2.392 1.00 0.00 C HETATM 49 O B3A A 3 11.078 2.489 1.877 1.00 0.00 O HETATM 50 HG1 B3A A 3 7.519 3.154 5.743 1.00 0.00 H HETATM 51 HG2 B3A A 3 9.261 2.904 5.732 1.00 0.00 H HETATM 52 HG3 B3A A 3 8.167 1.552 5.408 1.00 0.00 H HETATM 53 HB B3A A 3 8.510 3.997 3.740 1.00 0.00 H HETATM 54 H B3A A 3 6.757 1.741 3.243 1.00 0.00 H HETATM 55 HA1 B3A A 3 9.476 1.177 4.252 1.00 0.00 H HETATM 56 HA2 B3A A 3 10.426 2.662 4.301 1.00 0.00 H HETATM 57 N UVR A 4 9.912 0.570 2.011 1.00 0.00 N HETATM 58 HN UVR A 4 9.092 0.163 2.318 1.00 0.00 H HETATM 59 CA UVR A 4 10.585 -0.036 0.888 1.00 0.00 C HETATM 60 HA UVR A 4 11.552 0.412 0.818 1.00 0.00 H HETATM 61 CB UVR A 4 10.732 -1.550 1.113 1.00 0.00 C HETATM 62 HB1 UVR A 4 10.029 -1.857 1.872 1.00 0.00 H HETATM 63 HB2 UVR A 4 11.733 -1.750 1.467 1.00 0.00 H HETATM 64 CG UVR A 4 10.494 -2.402 -0.126 1.00 0.00 C HETATM 65 HG1 UVR A 4 9.524 -2.162 -0.533 1.00 0.00 H HETATM 66 HG2 UVR A 4 10.520 -3.443 0.157 1.00 0.00 H HETATM 67 CD UVR A 4 11.554 -2.153 -1.187 1.00 0.00 C HETATM 68 HD1 UVR A 4 11.543 -1.107 -1.456 1.00 0.00 H HETATM 69 HD2 UVR A 4 11.327 -2.753 -2.056 1.00 0.00 H HETATM 70 CE UVR A 4 12.942 -2.520 -0.685 1.00 0.00 C HETATM 71 HE1 UVR A 4 13.475 -3.030 -1.475 1.00 0.00 H HETATM 72 HE2 UVR A 4 12.843 -3.177 0.166 1.00 0.00 H HETATM 73 CF UVR A 4 13.731 -1.286 -0.268 1.00 0.00 C HETATM 74 HF1 UVR A 4 14.104 -1.424 0.735 1.00 0.00 H HETATM 75 HF2 UVR A 4 13.081 -0.421 -0.303 1.00 0.00 H HETATM 76 CX UVR A 4 14.896 -1.082 -1.207 1.00 0.00 C HETATM 77 OX UVR A 4 16.020 -0.865 -0.754 1.00 0.00 O HETATM 78 CY UVR A 4 14.683 -1.144 -2.700 1.00 0.00 C HETATM 79 HY1 UVR A 4 14.819 -0.163 -3.129 1.00 0.00 H HETATM 80 HY2 UVR A 4 13.686 -1.508 -2.911 1.00 0.00 H HETATM 81 CZ UVR A 4 15.690 -2.083 -3.324 1.00 0.00 C HETATM 82 HZ1 UVR A 4 15.280 -2.912 -3.882 1.00 0.00 H HETATM 83 HZ2 UVR A 4 16.472 -2.474 -2.690 1.00 0.00 H HETATM 84 HZ3 UVR A 4 16.153 -1.742 -4.238 1.00 0.00 H HETATM 85 C UVR A 4 9.792 0.272 -0.379 1.00 0.00 C HETATM 86 O UVR A 4 10.333 0.825 -1.337 1.00 0.00 O TER 87 UVR A 4 ENDMDL MODEL 37 ATOM 1 N TRP A 1 8.466 0.180 -0.239 1.00 0.00 N ATOM 2 CA TRP A 1 7.535 0.755 -1.180 1.00 0.00 C ATOM 3 C TRP A 1 6.832 1.964 -0.578 1.00 0.00 C ATOM 4 O TRP A 1 7.106 3.104 -0.956 1.00 0.00 O ATOM 5 CB TRP A 1 6.540 -0.264 -1.643 1.00 0.00 C ATOM 6 CG TRP A 1 6.696 -0.447 -3.102 1.00 0.00 C ATOM 7 CD1 TRP A 1 5.923 0.071 -4.058 1.00 0.00 C ATOM 8 CD2 TRP A 1 7.762 -1.108 -3.752 1.00 0.00 C ATOM 9 NE1 TRP A 1 6.371 -0.318 -5.301 1.00 0.00 N ATOM 10 CE2 TRP A 1 7.521 -1.047 -5.132 1.00 0.00 C ATOM 11 CE3 TRP A 1 8.873 -1.773 -3.283 1.00 0.00 C ATOM 12 CZ2 TRP A 1 8.373 -1.641 -6.059 1.00 0.00 C ATOM 13 CZ3 TRP A 1 9.733 -2.361 -4.193 1.00 0.00 C ATOM 14 CH2 TRP A 1 9.474 -2.297 -5.572 1.00 0.00 C ATOM 15 H1 TRP A 1 8.123 -0.107 0.616 1.00 0.00 H ATOM 16 HA TRP A 1 8.085 1.053 -2.043 1.00 0.00 H ATOM 17 HB2 TRP A 1 6.720 -1.208 -1.147 1.00 0.00 H ATOM 18 HB3 TRP A 1 5.536 0.077 -1.445 1.00 0.00 H ATOM 19 HD1 TRP A 1 5.075 0.672 -3.844 1.00 0.00 H ATOM 20 HE1 TRP A 1 5.947 -0.103 -6.158 1.00 0.00 H ATOM 21 HE3 TRP A 1 9.079 -1.796 -2.224 1.00 0.00 H ATOM 22 HZ2 TRP A 1 8.184 -1.598 -7.121 1.00 0.00 H ATOM 23 HZ3 TRP A 1 10.609 -2.887 -3.845 1.00 0.00 H ATOM 24 HH2 TRP A 1 10.169 -2.769 -6.250 1.00 0.00 H ATOM 25 N LEU A 2 6.086 1.718 0.494 1.00 0.00 N ATOM 26 CA LEU A 2 5.535 2.786 1.306 1.00 0.00 C ATOM 27 C LEU A 2 6.625 3.408 2.169 1.00 0.00 C ATOM 28 O LEU A 2 7.227 4.413 1.784 1.00 0.00 O ATOM 29 CB LEU A 2 4.401 2.260 2.187 1.00 0.00 C ATOM 30 CG LEU A 2 3.036 2.174 1.502 1.00 0.00 C ATOM 31 CD1 LEU A 2 2.081 1.320 2.319 1.00 0.00 C ATOM 32 CD2 LEU A 2 2.460 3.566 1.288 1.00 0.00 C ATOM 33 H LEU A 2 6.000 0.806 0.807 1.00 0.00 H ATOM 34 HA LEU A 2 5.148 3.528 0.639 1.00 0.00 H ATOM 35 HB2 LEU A 2 4.671 1.272 2.532 1.00 0.00 H ATOM 36 HB3 LEU A 2 4.308 2.910 3.044 1.00 0.00 H ATOM 37 HG LEU A 2 3.156 1.709 0.534 1.00 0.00 H ATOM 38 HD11 LEU A 2 1.068 1.657 2.157 1.00 0.00 H ATOM 39 HD12 LEU A 2 2.327 1.406 3.367 1.00 0.00 H ATOM 40 HD13 LEU A 2 2.169 0.287 2.013 1.00 0.00 H ATOM 41 HD21 LEU A 2 3.141 4.148 0.683 1.00 0.00 H ATOM 42 HD22 LEU A 2 2.326 4.050 2.244 1.00 0.00 H ATOM 43 HD23 LEU A 2 1.508 3.489 0.786 1.00 0.00 H HETATM 44 CG B3A A 3 8.285 2.541 5.290 1.00 0.00 C HETATM 45 CB B3A A 3 8.330 2.919 3.811 1.00 0.00 C HETATM 46 N B3A A 3 7.080 2.637 3.151 1.00 0.00 N HETATM 47 CA B3A A 3 9.640 2.083 3.791 1.00 0.00 C HETATM 48 C B3A A 3 10.189 1.811 2.421 1.00 0.00 C HETATM 49 O B3A A 3 11.091 2.495 1.940 1.00 0.00 O HETATM 50 HG1 B3A A 3 9.214 2.813 5.773 1.00 0.00 H HETATM 51 HG2 B3A A 3 8.116 1.479 5.395 1.00 0.00 H HETATM 52 HG3 B3A A 3 7.473 3.074 5.764 1.00 0.00 H HETATM 53 HB B3A A 3 8.503 3.967 3.801 1.00 0.00 H HETATM 54 H B3A A 3 6.727 1.745 3.241 1.00 0.00 H HETATM 55 HA1 B3A A 3 9.438 1.125 4.248 1.00 0.00 H HETATM 56 HA2 B3A A 3 10.400 2.600 4.360 1.00 0.00 H HETATM 57 N UVR A 4 9.913 0.580 2.002 1.00 0.00 N HETATM 58 HN UVR A 4 9.086 0.169 2.287 1.00 0.00 H HETATM 59 CA UVR A 4 10.595 0.005 0.871 1.00 0.00 C HETATM 60 HA UVR A 4 11.549 0.479 0.797 1.00 0.00 H HETATM 61 CB UVR A 4 10.784 -1.507 1.074 1.00 0.00 C HETATM 62 HB1 UVR A 4 10.087 -1.843 1.827 1.00 0.00 H HETATM 63 HB2 UVR A 4 11.788 -1.685 1.426 1.00 0.00 H HETATM 64 CG UVR A 4 10.569 -2.343 -0.179 1.00 0.00 C HETATM 65 HG1 UVR A 4 10.948 -1.799 -1.031 1.00 0.00 H HETATM 66 HG2 UVR A 4 9.511 -2.518 -0.303 1.00 0.00 H HETATM 67 CD UVR A 4 11.283 -3.682 -0.085 1.00 0.00 C HETATM 68 HD1 UVR A 4 10.554 -4.455 0.112 1.00 0.00 H HETATM 69 HD2 UVR A 4 11.996 -3.644 0.725 1.00 0.00 H HETATM 70 CE UVR A 4 12.019 -4.014 -1.374 1.00 0.00 C HETATM 71 HE1 UVR A 4 11.325 -3.954 -2.199 1.00 0.00 H HETATM 72 HE2 UVR A 4 12.411 -5.018 -1.304 1.00 0.00 H HETATM 73 CF UVR A 4 13.171 -3.052 -1.622 1.00 0.00 C HETATM 74 HF1 UVR A 4 12.900 -2.073 -1.260 1.00 0.00 H HETATM 75 HF2 UVR A 4 13.374 -3.011 -2.684 1.00 0.00 H HETATM 76 CX UVR A 4 14.398 -3.530 -0.888 1.00 0.00 C HETATM 77 OX UVR A 4 14.400 -3.580 0.341 1.00 0.00 O HETATM 78 CY UVR A 4 15.628 -3.945 -1.663 1.00 0.00 C HETATM 79 HY1 UVR A 4 16.270 -3.092 -1.813 1.00 0.00 H HETATM 80 HY2 UVR A 4 15.332 -4.362 -2.616 1.00 0.00 H HETATM 81 CZ UVR A 4 16.395 -4.992 -0.887 1.00 0.00 C HETATM 82 HZ1 UVR A 4 16.897 -4.646 0.004 1.00 0.00 H HETATM 83 HZ2 UVR A 4 17.091 -5.611 -1.433 1.00 0.00 H HETATM 84 HZ3 UVR A 4 15.804 -5.643 -0.260 1.00 0.00 H HETATM 85 C UVR A 4 9.784 0.303 -0.388 1.00 0.00 C HETATM 86 O UVR A 4 10.295 0.900 -1.336 1.00 0.00 O TER 87 UVR A 4 ENDMDL MODEL 38 ATOM 1 N TRP A 1 8.470 0.229 -0.227 1.00 0.00 N ATOM 2 CA TRP A 1 7.575 0.820 -1.191 1.00 0.00 C ATOM 3 C TRP A 1 6.813 1.989 -0.580 1.00 0.00 C ATOM 4 O TRP A 1 7.031 3.143 -0.949 1.00 0.00 O ATOM 5 CB TRP A 1 6.630 -0.201 -1.747 1.00 0.00 C ATOM 6 CG TRP A 1 6.859 -0.312 -3.204 1.00 0.00 C ATOM 7 CD1 TRP A 1 6.116 0.233 -4.171 1.00 0.00 C ATOM 8 CD2 TRP A 1 7.970 -0.915 -3.834 1.00 0.00 C ATOM 9 NE1 TRP A 1 6.631 -0.088 -5.408 1.00 0.00 N ATOM 10 CE2 TRP A 1 7.790 -0.795 -5.219 1.00 0.00 C ATOM 11 CE3 TRP A 1 9.076 -1.574 -3.345 1.00 0.00 C ATOM 12 CZ2 TRP A 1 8.698 -1.324 -6.132 1.00 0.00 C ATOM 13 CZ3 TRP A 1 9.991 -2.098 -4.240 1.00 0.00 C ATOM 14 CH2 TRP A 1 9.793 -1.976 -5.625 1.00 0.00 C ATOM 15 H1 TRP A 1 8.109 -0.004 0.639 1.00 0.00 H ATOM 16 HA TRP A 1 8.162 1.167 -2.011 1.00 0.00 H ATOM 17 HB2 TRP A 1 6.812 -1.162 -1.287 1.00 0.00 H ATOM 18 HB3 TRP A 1 5.609 0.106 -1.582 1.00 0.00 H ATOM 19 HD1 TRP A 1 5.243 0.801 -3.970 1.00 0.00 H ATOM 20 HE1 TRP A 1 6.240 0.157 -6.274 1.00 0.00 H ATOM 21 HE3 TRP A 1 9.235 -1.643 -2.280 1.00 0.00 H ATOM 22 HZ2 TRP A 1 8.557 -1.236 -7.200 1.00 0.00 H ATOM 23 HZ3 TRP A 1 10.865 -2.618 -3.876 1.00 0.00 H ATOM 24 HH2 TRP A 1 10.531 -2.398 -6.292 1.00 0.00 H ATOM 25 N LEU A 2 6.091 1.700 0.498 1.00 0.00 N ATOM 26 CA LEU A 2 5.509 2.737 1.328 1.00 0.00 C ATOM 27 C LEU A 2 6.589 3.399 2.176 1.00 0.00 C ATOM 28 O LEU A 2 7.149 4.422 1.780 1.00 0.00 O ATOM 29 CB LEU A 2 4.416 2.153 2.228 1.00 0.00 C ATOM 30 CG LEU A 2 3.231 1.533 1.487 1.00 0.00 C ATOM 31 CD1 LEU A 2 3.550 0.105 1.070 1.00 0.00 C ATOM 32 CD2 LEU A 2 1.982 1.569 2.356 1.00 0.00 C ATOM 33 H LEU A 2 6.059 0.784 0.809 1.00 0.00 H ATOM 34 HA LEU A 2 5.077 3.465 0.676 1.00 0.00 H ATOM 35 HB2 LEU A 2 4.861 1.394 2.854 1.00 0.00 H ATOM 36 HB3 LEU A 2 4.041 2.944 2.862 1.00 0.00 H ATOM 37 HG LEU A 2 3.034 2.105 0.592 1.00 0.00 H ATOM 38 HD11 LEU A 2 4.284 -0.311 1.745 1.00 0.00 H ATOM 39 HD12 LEU A 2 3.944 0.103 0.065 1.00 0.00 H ATOM 40 HD13 LEU A 2 2.650 -0.491 1.105 1.00 0.00 H ATOM 41 HD21 LEU A 2 1.326 0.758 2.078 1.00 0.00 H ATOM 42 HD22 LEU A 2 1.471 2.510 2.213 1.00 0.00 H ATOM 43 HD23 LEU A 2 2.262 1.466 3.393 1.00 0.00 H HETATM 44 CG B3A A 3 8.338 2.636 5.263 1.00 0.00 C HETATM 45 CB B3A A 3 8.351 2.958 3.769 1.00 0.00 C HETATM 46 N B3A A 3 7.090 2.640 3.145 1.00 0.00 N HETATM 47 CA B3A A 3 9.669 2.134 3.756 1.00 0.00 C HETATM 48 C B3A A 3 10.191 1.812 2.386 1.00 0.00 C HETATM 49 O B3A A 3 11.077 2.485 1.860 1.00 0.00 O HETATM 50 HG1 B3A A 3 8.181 1.576 5.411 1.00 0.00 H HETATM 51 HG2 B3A A 3 7.531 3.180 5.733 1.00 0.00 H HETATM 52 HG3 B3A A 3 9.274 2.933 5.717 1.00 0.00 H HETATM 53 HB B3A A 3 8.513 4.005 3.717 1.00 0.00 H HETATM 54 H B3A A 3 6.769 1.737 3.241 1.00 0.00 H HETATM 55 HA1 B3A A 3 9.487 1.192 4.255 1.00 0.00 H HETATM 56 HA2 B3A A 3 10.434 2.681 4.286 1.00 0.00 H HETATM 57 N UVR A 4 9.916 0.565 2.016 1.00 0.00 N HETATM 58 HN UVR A 4 9.096 0.160 2.330 1.00 0.00 H HETATM 59 CA UVR A 4 10.583 -0.048 0.894 1.00 0.00 C HETATM 60 HA UVR A 4 11.555 0.389 0.822 1.00 0.00 H HETATM 61 CB UVR A 4 10.714 -1.564 1.114 1.00 0.00 C HETATM 62 HB1 UVR A 4 10.008 -1.865 1.874 1.00 0.00 H HETATM 63 HB2 UVR A 4 11.713 -1.778 1.463 1.00 0.00 H HETATM 64 CG UVR A 4 10.460 -2.405 -0.129 1.00 0.00 C HETATM 65 HG1 UVR A 4 11.088 -2.044 -0.931 1.00 0.00 H HETATM 66 HG2 UVR A 4 9.422 -2.305 -0.411 1.00 0.00 H HETATM 67 CD UVR A 4 10.765 -3.873 0.118 1.00 0.00 C HETATM 68 HD1 UVR A 4 10.552 -4.432 -0.783 1.00 0.00 H HETATM 69 HD2 UVR A 4 10.140 -4.230 0.922 1.00 0.00 H HETATM 70 CE UVR A 4 12.222 -4.083 0.497 1.00 0.00 C HETATM 71 HE1 UVR A 4 12.801 -3.240 0.148 1.00 0.00 H HETATM 72 HE2 UVR A 4 12.580 -4.987 0.027 1.00 0.00 H HETATM 73 CF UVR A 4 12.392 -4.211 2.002 1.00 0.00 C HETATM 74 HF1 UVR A 4 12.236 -5.237 2.293 1.00 0.00 H HETATM 75 HF2 UVR A 4 11.672 -3.573 2.496 1.00 0.00 H HETATM 76 CX UVR A 4 13.790 -3.794 2.391 1.00 0.00 C HETATM 77 OX UVR A 4 13.961 -2.804 3.101 1.00 0.00 O HETATM 78 CY UVR A 4 14.978 -4.593 1.909 1.00 0.00 C HETATM 79 HY1 UVR A 4 14.664 -5.293 1.151 1.00 0.00 H HETATM 80 HY2 UVR A 4 15.425 -5.118 2.742 1.00 0.00 H HETATM 81 CZ UVR A 4 16.008 -3.664 1.305 1.00 0.00 C HETATM 82 HZ1 UVR A 4 17.025 -4.026 1.301 1.00 0.00 H HETATM 83 HZ2 UVR A 4 16.028 -2.642 1.655 1.00 0.00 H HETATM 84 HZ3 UVR A 4 16.048 -3.639 0.226 1.00 0.00 H HETATM 85 C UVR A 4 9.793 0.265 -0.375 1.00 0.00 C HETATM 86 O UVR A 4 10.342 0.791 -1.342 1.00 0.00 O TER 87 UVR A 4 ENDMDL MODEL 39 ATOM 1 N TRP A 1 8.473 0.223 -0.222 1.00 0.00 N ATOM 2 CA TRP A 1 7.572 0.815 -1.181 1.00 0.00 C ATOM 3 C TRP A 1 6.825 1.993 -0.567 1.00 0.00 C ATOM 4 O TRP A 1 7.069 3.146 -0.923 1.00 0.00 O ATOM 5 CB TRP A 1 6.614 -0.202 -1.720 1.00 0.00 C ATOM 6 CG TRP A 1 6.848 -0.347 -3.173 1.00 0.00 C ATOM 7 CD1 TRP A 1 7.508 -1.338 -3.778 1.00 0.00 C ATOM 8 CD2 TRP A 1 6.522 0.597 -4.172 1.00 0.00 C ATOM 9 NE1 TRP A 1 7.524 -1.139 -5.141 1.00 0.00 N ATOM 10 CE2 TRP A 1 6.922 0.064 -5.406 1.00 0.00 C ATOM 11 CE3 TRP A 1 5.892 1.822 -4.132 1.00 0.00 C ATOM 12 CZ2 TRP A 1 6.707 0.734 -6.608 1.00 0.00 C ATOM 13 CZ3 TRP A 1 5.680 2.502 -5.316 1.00 0.00 C ATOM 14 CH2 TRP A 1 6.082 1.953 -6.545 1.00 0.00 C ATOM 15 H1 TRP A 1 8.117 -0.016 0.644 1.00 0.00 H ATOM 16 HA TRP A 1 8.153 1.152 -2.008 1.00 0.00 H ATOM 17 HB2 TRP A 1 6.780 -1.157 -1.239 1.00 0.00 H ATOM 18 HB3 TRP A 1 5.596 0.122 -1.565 1.00 0.00 H ATOM 19 HD1 TRP A 1 7.922 -2.157 -3.247 1.00 0.00 H ATOM 20 HE1 TRP A 1 7.909 -1.749 -5.805 1.00 0.00 H ATOM 21 HE3 TRP A 1 5.609 2.252 -3.184 1.00 0.00 H ATOM 22 HZ2 TRP A 1 7.011 0.320 -7.557 1.00 0.00 H ATOM 23 HZ3 TRP A 1 5.191 3.466 -5.305 1.00 0.00 H ATOM 24 HH2 TRP A 1 5.899 2.515 -7.448 1.00 0.00 H ATOM 25 N LEU A 2 6.078 1.709 0.496 1.00 0.00 N ATOM 26 CA LEU A 2 5.499 2.749 1.324 1.00 0.00 C ATOM 27 C LEU A 2 6.578 3.403 2.180 1.00 0.00 C ATOM 28 O LEU A 2 7.124 4.441 1.805 1.00 0.00 O ATOM 29 CB LEU A 2 4.392 2.177 2.213 1.00 0.00 C ATOM 30 CG LEU A 2 3.488 1.143 1.538 1.00 0.00 C ATOM 31 CD1 LEU A 2 3.965 -0.268 1.848 1.00 0.00 C ATOM 32 CD2 LEU A 2 2.044 1.328 1.978 1.00 0.00 C ATOM 33 H LEU A 2 6.017 0.789 0.792 1.00 0.00 H ATOM 34 HA LEU A 2 5.080 3.482 0.668 1.00 0.00 H ATOM 35 HB2 LEU A 2 4.852 1.715 3.074 1.00 0.00 H ATOM 36 HB3 LEU A 2 3.774 2.995 2.552 1.00 0.00 H ATOM 37 HG LEU A 2 3.532 1.281 0.466 1.00 0.00 H ATOM 38 HD11 LEU A 2 3.877 -0.880 0.964 1.00 0.00 H ATOM 39 HD12 LEU A 2 3.360 -0.687 2.638 1.00 0.00 H ATOM 40 HD13 LEU A 2 4.998 -0.238 2.164 1.00 0.00 H ATOM 41 HD21 LEU A 2 1.853 0.720 2.851 1.00 0.00 H ATOM 42 HD22 LEU A 2 1.382 1.027 1.179 1.00 0.00 H ATOM 43 HD23 LEU A 2 1.870 2.366 2.217 1.00 0.00 H HETATM 44 CG B3A A 3 8.330 2.632 5.256 1.00 0.00 C HETATM 45 CB B3A A 3 8.348 2.953 3.762 1.00 0.00 C HETATM 46 N B3A A 3 7.092 2.632 3.132 1.00 0.00 N HETATM 47 CA B3A A 3 9.670 2.134 3.754 1.00 0.00 C HETATM 48 C B3A A 3 10.196 1.809 2.386 1.00 0.00 C HETATM 49 O B3A A 3 11.079 2.485 1.857 1.00 0.00 O HETATM 50 HG1 B3A A 3 8.175 1.571 5.403 1.00 0.00 H HETATM 51 HG2 B3A A 3 7.521 3.174 5.721 1.00 0.00 H HETATM 52 HG3 B3A A 3 9.264 2.930 5.714 1.00 0.00 H HETATM 53 HB B3A A 3 8.508 4.000 3.710 1.00 0.00 H HETATM 54 H B3A A 3 6.782 1.722 3.211 1.00 0.00 H HETATM 55 HA1 B3A A 3 9.493 1.193 4.255 1.00 0.00 H HETATM 56 HA2 B3A A 3 10.433 2.686 4.283 1.00 0.00 H HETATM 57 N UVR A 4 9.925 0.562 2.018 1.00 0.00 N HETATM 58 HN UVR A 4 9.110 0.152 2.335 1.00 0.00 H HETATM 59 CA UVR A 4 10.588 -0.045 0.888 1.00 0.00 C HETATM 60 HA UVR A 4 11.561 0.391 0.814 1.00 0.00 H HETATM 61 CB UVR A 4 10.717 -1.558 1.082 1.00 0.00 C HETATM 62 HB1 UVR A 4 10.455 -2.053 0.158 1.00 0.00 H HETATM 63 HB2 UVR A 4 10.029 -1.870 1.855 1.00 0.00 H HETATM 64 CG UVR A 4 12.115 -2.003 1.481 1.00 0.00 C HETATM 65 HG1 UVR A 4 12.057 -2.991 1.915 1.00 0.00 H HETATM 66 HG2 UVR A 4 12.508 -1.310 2.209 1.00 0.00 H HETATM 67 CD UVR A 4 13.048 -2.043 0.282 1.00 0.00 C HETATM 68 HD1 UVR A 4 13.480 -1.062 0.142 1.00 0.00 H HETATM 69 HD2 UVR A 4 12.482 -2.317 -0.595 1.00 0.00 H HETATM 70 CE UVR A 4 14.169 -3.051 0.481 1.00 0.00 C HETATM 71 HE1 UVR A 4 13.877 -3.752 1.249 1.00 0.00 H HETATM 72 HE2 UVR A 4 15.061 -2.528 0.788 1.00 0.00 H HETATM 73 CF UVR A 4 14.462 -3.817 -0.802 1.00 0.00 C HETATM 74 HF1 UVR A 4 14.187 -3.210 -1.649 1.00 0.00 H HETATM 75 HF2 UVR A 4 13.890 -4.735 -0.803 1.00 0.00 H HETATM 76 CX UVR A 4 15.936 -4.136 -0.877 1.00 0.00 C HETATM 77 OX UVR A 4 16.654 -3.536 -1.674 1.00 0.00 O HETATM 78 CY UVR A 4 16.526 -5.195 0.024 1.00 0.00 C HETATM 79 HY1 UVR A 4 15.757 -5.604 0.659 1.00 0.00 H HETATM 80 HY2 UVR A 4 17.315 -4.761 0.625 1.00 0.00 H HETATM 81 CZ UVR A 4 17.106 -6.315 -0.811 1.00 0.00 C HETATM 82 HZ1 UVR A 4 18.089 -6.138 -1.222 1.00 0.00 H HETATM 83 HZ2 UVR A 4 16.492 -6.721 -1.600 1.00 0.00 H HETATM 84 HZ3 UVR A 4 17.521 -7.147 -0.262 1.00 0.00 H HETATM 85 C UVR A 4 9.795 0.266 -0.376 1.00 0.00 C HETATM 86 O UVR A 4 10.338 0.801 -1.342 1.00 0.00 O TER 87 UVR A 4 ENDMDL CONECT 1 85 CONECT 27 46 CONECT 44 45 50 51 52 CONECT 45 44 46 47 53 CONECT 46 27 45 54 CONECT 47 45 48 55 56 CONECT 48 47 49 57 CONECT 49 48 CONECT 50 44 CONECT 51 44 CONECT 52 44 CONECT 53 45 CONECT 54 46 CONECT 55 47 CONECT 56 47 CONECT 57 48 CONECT 85 1 MASTER 186 0 2 0 0 0 0 6 41 1 17 1 END