HEADER METAL BINDING PROTEIN 14-JUL-09 SMS20084 TITLE DIRHODIUM PEPTIDE COMPLEX COMPND MOL_ID: 1; COMPND 2 MOLECULE: ZINC FINGER BASED PEPTIDE; 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: CHEMICAL SYNTHESIS KEYWDS METALLOPEPTIDE, DIRHODIUM, ZINK FINGER, BRIDGING, METAL BINDING KEYWDS 2 PROTEIN EXPDTA SOLUTION NMR NUMMDL 16 AUTHOR A.N.ZAYKOV,Z.T.BALL,K.R.MACKENZIE JRNL AUTH A.N.ZAYKOV,K.R.MACKENZIE,Z.T.BALL JRNL TITL CONTROLLING PEPTIDE STRUCTURE WITH COORDINATION CHEMISTRY: JRNL TITL 2 ROBUST AND REVERSIBLE PEPTIDE-DIRHODIUM LIGATION JRNL REF CHEMISTRY V. 15 8961 2009 JRNL REFN ISSN 0947-6539 JRNL PMID 19637261 JRNL DOI 10.1002/CHEM.200901266 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 1.1 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: STRUCTURE CALCULATIONS WERE PERFORMED REMARK 3 USING THREE-STAGE SIMULATED ANNEALING IN CARTESIAN MOLECULAR REMARK 3 DYNAMICS. WE USED 103 DISTANCE RESTRAINTS, 3 DIHEDRAL RESTRAINTS REMARK 3 AND 7 COUPLING RESTRAINTS FOR THE 12 RESIDUE PEPTIDE,FOR AN REMARK 3 AVERAGE OF 9.4 RESTRAINTS PER RESIDUE. TOPOLOGY AND PARAMETER REMARK 3 FILES FOR THE DIRHODIUM CORE WERE CREATED BASED ON THE CAMBRIDGE REMARK 3 STRUCTURAL DATABASE ENTRY KABWOZ (DIRHODIUM TETRAACETATE). TO REMARK 3 ENSURE THAT THE TOPOLOGICAL CONSTRAINTS OF LIGANDING TO THE REMARK 3 DIRHODIUM CORE DID NOT BIAS THE COMPUTATIONAL SAMPLING OF REMARK 3 STRUCTURES CONSISTENT WITH OUR EXPERIMENTAL NMR DATA, WE TREATED REMARK 3 THE DIRHODIUM DIACETATE, LIGAND AND THE PEPTIDE AS INITIALLY REMARK 3 DISTINCT MOLECULES, WITH A STARTING STRUCTURE FOR OUR REMARK 3 CONFORMATIONAL SEARCH CONSISTING OF THE FULLY EXTENDED PEPTIDE REMARK 3 CHAIN AND THE NEWLY DESCRIBED DRA (DIRHODIUM ACETATE) RESIDUE.THE REMARK 3 METAL CORE WAS REPRESENTED AS DIRHODIUM TETRAACETATE BUT WITH NON REMARK 3 -BONDED INTERACTIONS ELIMINATED FOR THE ATOMS OF TWO CIS REMARK 3 ACETATES,AND DISTANCE RESTRAINTS WERE USED TO SUPERIMPOSE THE CG, REMARK 3 OD1, AND OD2 ATOMS OF ASP4 AND ASP7 ON THE CARBOXYLATE CARBONS REMARK 3 AND OXYGENS OF THE REPLACED ACETATE LIGANDS. SIMULATED ANNEALING REMARK 3 WAS USED TO SEARCH FOR CONFORMATIONS THAT SIMULTANEOUSLY SATISFY REMARK 3 THE EXPERIMENTAL NOE AND DIHEDRAL RESTRAINTS AS WELL AS THE REMARK 3 DISTANCE RESTRAINTS THAT POSITION THE ASP CARBOXYLATESSO THAT REMARK 3 THEY LIGAND THE DIRHODIUM. THE RESULTS OF THESE SEARCHES DID NOT REMARK 3 CHANGE SIGNIFICANTLY WHEN THE FORCE CONSTANTSFOR REMARK 3 DISTANCERESTRAINTS CONNECTING THE ASP SIDE CHAINS TO THE REMARK 3 DIRHODIUM CORE WERE VARIED. FROM 30 SIMULATED ANNEALING REMARK 3 STRUCTURES, 16 STRUCTURES WERE ACCEPTED THAT HAD LOW OVERALL REMARK 3 ENERGY, GOOD BONDED GEOMETRY,AND NO NOE VIOLATIONS LARGER THAN REMARK 3 0.5 A. ATOMS FOR THE REPLACED ACETATE LIGANDS WERE DELETED FROM REMARK 3 THE PDB FILES BUT CAN BE REGENERATED BY SUPERIMPOSING THE REMARK 3 COORDINATES OF KABWOZ ON THE RHODIUM AND ACETATE ATOMS. 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 18-OCT-10. REMARK 100 THE BMRB ID CODE IS SMS20084. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 293 REMARK 210 PH : 5.5 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : 6MM ZINC FINGER BASED PEPTIDE; REMARK 210 0.23M SODIUM ACETATE; 90% H2O/10% REMARK 210 D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D 1H-1H COSY; 2D 1H-1H NOESY; REMARK 210 2D 1H-1H WROESY; 2D 1H-15N HSQC; REMARK 210 2D 1H-13C HSQC REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ REMARK 210 SPECTROMETER MODEL : INOVA REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NMRDRAW, SPARKY, CNS 1.1 REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 30 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 16 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 400 REMARK 400 COMPOUND REMARK 400 2 RH3 FORM DIRHODIUM METALLOCENTER WITH 2 ACT. REMARK 400 DIRHODIUM FRAGMENT IS LIGATED TO THE ASPARTATE SIDE CHAINS. 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 PHE A 2 -151.40 -85.95 REMARK 500 1 ALA A 3 70.66 98.80 REMARK 500 2 PHE A 2 -150.90 -85.80 REMARK 500 2 ALA A 3 70.66 96.59 REMARK 500 2 ARG A 9 -139.59 -168.97 REMARK 500 2 LYS A 10 -41.54 84.06 REMARK 500 3 PHE A 2 -152.21 -86.51 REMARK 500 3 ALA A 3 70.53 102.38 REMARK 500 3 ARG A 9 85.86 62.10 REMARK 500 4 PHE A 2 -151.21 -86.02 REMARK 500 4 ALA A 3 70.76 98.47 REMARK 500 4 ARG A 9 -143.33 -156.75 REMARK 500 4 LYS A 10 -42.56 86.34 REMARK 500 5 PHE A 2 -151.59 89.78 REMARK 500 5 ALA A 3 73.73 107.91 REMARK 500 5 ASP A 4 58.88 -94.12 REMARK 500 5 ARG A 9 123.73 177.26 REMARK 500 6 PHE A 2 -151.69 -86.27 REMARK 500 6 ALA A 3 70.61 100.56 REMARK 500 6 ARG A 9 -144.94 -151.06 REMARK 500 6 LYS A 10 -55.07 -176.46 REMARK 500 7 PHE A 2 -151.05 -85.82 REMARK 500 7 ALA A 3 70.64 97.25 REMARK 500 7 ARG A 9 85.54 62.63 REMARK 500 7 PHE A 11 56.49 -99.38 REMARK 500 8 PHE A 2 -153.23 90.01 REMARK 500 8 ALA A 3 72.97 113.43 REMARK 500 8 ARG A 9 126.38 72.06 REMARK 500 8 LYS A 10 -47.47 -134.30 REMARK 500 9 PHE A 2 -150.73 -85.69 REMARK 500 9 ALA A 3 70.74 95.77 REMARK 500 9 ARG A 9 139.17 73.91 REMARK 500 9 LYS A 10 -61.89 -130.91 REMARK 500 10 PHE A 2 -151.59 89.75 REMARK 500 10 ALA A 3 73.72 108.05 REMARK 500 10 ASP A 4 59.07 -94.17 REMARK 500 10 LYS A 10 -47.00 -149.75 REMARK 500 11 PHE A 2 -151.23 89.78 REMARK 500 11 ALA A 3 73.90 106.82 REMARK 500 11 ASP A 4 58.32 -93.88 REMARK 500 12 PHE A 2 -150.65 -85.63 REMARK 500 12 ALA A 3 70.50 94.21 REMARK 500 12 LYS A 10 -71.29 -69.76 REMARK 500 13 PHE A 2 -151.41 -86.15 REMARK 500 13 ALA A 3 70.70 99.42 REMARK 500 13 ARG A 9 113.07 63.38 REMARK 500 13 LYS A 10 32.08 -164.74 REMARK 500 14 PHE A 2 -151.44 -86.06 REMARK 500 14 ALA A 3 70.62 98.58 REMARK 500 14 ARG A 9 109.59 -177.92 REMARK 500 REMARK 500 THIS ENTRY HAS 57 RAMACHANDRAN OUTLIERS. REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 1 RH3 A 14 RH REMARK 620 N RES CSSEQI ATOM REMARK 620 1 ASP A 7 OD1 REMARK 620 2 ASP A 4 OD1 87.5 REMARK 620 N 1 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 1 ACT A 17 O REMARK 620 N RES CSSEQI ATOM REMARK 620 1 RH3 A 14 RH REMARK 620 2 ACT A 17 C 117.8 REMARK 620 N 1 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 1 ACT A 16 OXT REMARK 620 N RES CSSEQI ATOM REMARK 620 1 RH3 A 15 RH REMARK 620 2 ACT A 16 C 117.9 REMARK 620 N 1 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 1 ACT A 16 O REMARK 620 N RES CSSEQI ATOM REMARK 620 1 RH3 A 14 RH REMARK 620 2 ACT A 16 C 117.8 REMARK 620 N 1 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 1 ACT A 17 OXT REMARK 620 N RES CSSEQI ATOM REMARK 620 1 RH3 A 15 RH REMARK 620 2 ACT A 17 C 117.9 REMARK 620 N 1 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 1 RH3 A 15 RH REMARK 620 N RES CSSEQI ATOM REMARK 620 1 ASP A 7 OD2 REMARK 620 2 ASP A 4 OD2 87.7 REMARK 620 N 1 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 20084 RELATED DB: BMRB DBREF A 1 12 BMRB SMS20084 SMS20084 1 12 SEQADV NH2 A 13 BMRB SMS20084 AMIDATION SEQRES 1 A 13 PRO PHE ALA ASP SER ILE ASP GLY ARG LYS PHE ALA NH2 HET NH2 A 13 1 HET RH3 A 14 1 HET RH3 A 15 1 HET ACT A 16 7 HET ACT A 17 7 HETNAM NH2 AMINO GROUP HETNAM RH3 RHODIUM(III) ION HETNAM ACT ACETATE ION FORMUL 1 NH2 H2 N FORMUL 2 RH3 2(RH 3+) FORMUL 4 ACT 2(C2 H3 O2 1-) LINK OD1 ASP A 7 RH RH3 A 14 1555 1555 2.02 LINK RH RH3 A 14 O ACT A 17 1555 1555 2.03 LINK RH RH3 A 15 OXT ACT A 16 1555 1555 2.03 LINK RH RH3 A 14 O ACT A 16 1555 1555 2.03 LINK RH RH3 A 15 OXT ACT A 17 1555 1555 2.03 LINK OD2 ASP A 7 RH RH3 A 15 1555 1555 2.07 LINK OD1 ASP A 4 RH RH3 A 14 1555 1555 2.10 LINK OD2 ASP A 4 RH RH3 A 15 1555 1555 2.12 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 PRO A 1 -11.499 -7.557 -5.127 1.00 0.00 N ATOM 2 CA PRO A 1 -11.462 -6.425 -4.162 1.00 0.00 C ATOM 3 C PRO A 1 -10.336 -5.443 -4.486 1.00 0.00 C ATOM 4 O PRO A 1 -9.162 -5.731 -4.254 1.00 0.00 O ATOM 5 CB PRO A 1 -11.268 -7.014 -2.767 1.00 0.00 C ATOM 6 CG PRO A 1 -11.354 -8.489 -2.973 1.00 0.00 C ATOM 7 CD PRO A 1 -10.987 -8.741 -4.416 1.00 0.00 C ATOM 8 H2 PRO A 1 -10.959 -7.192 -5.928 1.00 0.00 H ATOM 9 H3 PRO A 1 -12.496 -7.527 -5.445 1.00 0.00 H ATOM 10 HA PRO A 1 -12.407 -5.906 -4.202 1.00 0.00 H ATOM 11 HB2 PRO A 1 -10.303 -6.722 -2.378 1.00 0.00 H ATOM 12 HB3 PRO A 1 -12.050 -6.662 -2.112 1.00 0.00 H ATOM 13 HG2 PRO A 1 -10.658 -8.992 -2.317 1.00 0.00 H ATOM 14 HG3 PRO A 1 -12.361 -8.828 -2.780 1.00 0.00 H ATOM 15 HD2 PRO A 1 -9.915 -8.818 -4.524 1.00 0.00 H ATOM 16 HD3 PRO A 1 -11.468 -9.639 -4.775 1.00 0.00 H ATOM 17 N PHE A 2 -10.705 -4.285 -5.023 1.00 0.00 N ATOM 18 CA PHE A 2 -9.731 -3.262 -5.378 1.00 0.00 C ATOM 19 C PHE A 2 -9.408 -2.368 -4.174 1.00 0.00 C ATOM 20 O PHE A 2 -9.469 -2.824 -3.032 1.00 0.00 O ATOM 21 CB PHE A 2 -10.246 -2.437 -6.561 1.00 0.00 C ATOM 22 CG PHE A 2 -9.292 -2.413 -7.718 1.00 0.00 C ATOM 23 CD1 PHE A 2 -9.127 -3.536 -8.509 1.00 0.00 C ATOM 24 CD2 PHE A 2 -8.560 -1.275 -8.012 1.00 0.00 C ATOM 25 CE1 PHE A 2 -8.250 -3.525 -9.576 1.00 0.00 C ATOM 26 CE2 PHE A 2 -7.682 -1.257 -9.076 1.00 0.00 C ATOM 27 CZ PHE A 2 -7.526 -2.383 -9.861 1.00 0.00 C ATOM 28 H PHE A 2 -11.655 -4.113 -5.184 1.00 0.00 H ATOM 29 HA PHE A 2 -8.825 -3.771 -5.675 1.00 0.00 H ATOM 30 HB2 PHE A 2 -11.176 -2.861 -6.909 1.00 0.00 H ATOM 31 HB3 PHE A 2 -10.418 -1.420 -6.245 1.00 0.00 H ATOM 32 HD1 PHE A 2 -9.695 -4.427 -8.283 1.00 0.00 H ATOM 33 HD2 PHE A 2 -8.680 -0.395 -7.400 1.00 0.00 H ATOM 34 HE1 PHE A 2 -8.130 -4.408 -10.186 1.00 0.00 H ATOM 35 HE2 PHE A 2 -7.118 -0.362 -9.295 1.00 0.00 H ATOM 36 HZ PHE A 2 -6.839 -2.371 -10.693 1.00 0.00 H ATOM 37 N ALA A 3 -9.038 -1.105 -4.438 1.00 0.00 N ATOM 38 CA ALA A 3 -8.676 -0.146 -3.389 1.00 0.00 C ATOM 39 C ALA A 3 -7.161 -0.075 -3.266 1.00 0.00 C ATOM 40 O ALA A 3 -6.575 -0.565 -2.301 1.00 0.00 O ATOM 41 CB ALA A 3 -9.308 -0.499 -2.047 1.00 0.00 C ATOM 42 H ALA A 3 -8.987 -0.812 -5.373 1.00 0.00 H ATOM 43 HA ALA A 3 -9.043 0.826 -3.690 1.00 0.00 H ATOM 44 HB1 ALA A 3 -9.364 0.386 -1.430 1.00 0.00 H ATOM 45 HB2 ALA A 3 -8.705 -1.246 -1.550 1.00 0.00 H ATOM 46 HB3 ALA A 3 -10.302 -0.889 -2.209 1.00 0.00 H ATOM 47 N ASP A 4 -6.536 0.513 -4.277 1.00 0.00 N ATOM 48 CA ASP A 4 -5.087 0.631 -4.331 1.00 0.00 C ATOM 49 C ASP A 4 -4.622 1.967 -3.733 1.00 0.00 C ATOM 50 O ASP A 4 -4.014 2.789 -4.418 1.00 0.00 O ATOM 51 CB ASP A 4 -4.658 0.479 -5.800 1.00 0.00 C ATOM 52 CG ASP A 4 -3.289 -0.147 -6.002 1.00 0.00 C ATOM 53 OD1 ASP A 4 -3.030 -1.202 -5.386 1.00 0.00 O ATOM 54 OD2 ASP A 4 -2.494 0.406 -6.794 1.00 0.00 O ATOM 55 H ASP A 4 -7.068 0.859 -5.025 1.00 0.00 H ATOM 56 HA ASP A 4 -4.687 -0.192 -3.760 1.00 0.00 H ATOM 57 HB2 ASP A 4 -5.376 -0.167 -6.285 1.00 0.00 H ATOM 58 HB3 ASP A 4 -4.694 1.440 -6.288 1.00 0.00 H ATOM 59 N SER A 5 -4.916 2.171 -2.441 1.00 0.00 N ATOM 60 CA SER A 5 -4.533 3.403 -1.734 1.00 0.00 C ATOM 61 C SER A 5 -3.265 3.184 -0.911 1.00 0.00 C ATOM 62 O SER A 5 -2.352 4.010 -0.923 1.00 0.00 O ATOM 63 CB SER A 5 -5.673 3.879 -0.831 1.00 0.00 C ATOM 64 OG SER A 5 -5.933 2.951 0.208 1.00 0.00 O ATOM 65 H SER A 5 -5.395 1.472 -1.949 1.00 0.00 H ATOM 66 HA SER A 5 -4.329 4.159 -2.478 1.00 0.00 H ATOM 67 HB2 SER A 5 -5.407 4.831 -0.395 1.00 0.00 H ATOM 68 HB3 SER A 5 -6.567 4.004 -1.424 1.00 0.00 H ATOM 69 HG SER A 5 -6.079 2.081 -0.169 1.00 0.00 H ATOM 70 N ILE A 6 -3.186 2.031 -0.262 1.00 0.00 N ATOM 71 CA ILE A 6 -2.008 1.644 0.494 1.00 0.00 C ATOM 72 C ILE A 6 -1.296 0.634 -0.370 1.00 0.00 C ATOM 73 O ILE A 6 -1.796 -0.469 -0.587 1.00 0.00 O ATOM 74 CB ILE A 6 -2.353 1.029 1.865 1.00 0.00 C ATOM 75 CG1 ILE A 6 -3.219 1.993 2.678 1.00 0.00 C ATOM 76 CG2 ILE A 6 -1.081 0.682 2.625 1.00 0.00 C ATOM 77 CD1 ILE A 6 -4.704 1.730 2.543 1.00 0.00 C ATOM 78 H ILE A 6 -3.911 1.388 -0.356 1.00 0.00 H ATOM 79 HA ILE A 6 -1.374 2.510 0.622 1.00 0.00 H ATOM 80 HB ILE A 6 -2.903 0.115 1.698 1.00 0.00 H ATOM 81 HG12 ILE A 6 -2.962 1.905 3.723 1.00 0.00 H ATOM 82 HG13 ILE A 6 -3.029 3.004 2.348 1.00 0.00 H ATOM 83 HG21 ILE A 6 -0.273 1.310 2.279 1.00 0.00 H ATOM 84 HG22 ILE A 6 -0.830 -0.355 2.453 1.00 0.00 H ATOM 85 HG23 ILE A 6 -1.236 0.844 3.681 1.00 0.00 H ATOM 86 HD11 ILE A 6 -4.992 0.938 3.217 1.00 0.00 H ATOM 87 HD12 ILE A 6 -4.927 1.438 1.527 1.00 0.00 H ATOM 88 HD13 ILE A 6 -5.251 2.628 2.788 1.00 0.00 H ATOM 89 N ASP A 7 -0.184 1.048 -0.952 1.00 0.00 N ATOM 90 CA ASP A 7 0.508 0.189 -1.899 1.00 0.00 C ATOM 91 C ASP A 7 1.930 -0.166 -1.472 1.00 0.00 C ATOM 92 O ASP A 7 2.660 -0.834 -2.204 1.00 0.00 O ATOM 93 CB ASP A 7 0.455 0.928 -3.233 1.00 0.00 C ATOM 94 CG ASP A 7 0.030 0.097 -4.409 1.00 0.00 C ATOM 95 OD1 ASP A 7 -0.457 -1.027 -4.177 1.00 0.00 O ATOM 96 OD2 ASP A 7 0.127 0.595 -5.549 1.00 0.00 O ATOM 97 H ASP A 7 0.129 1.960 -0.798 1.00 0.00 H ATOM 98 HA ASP A 7 -0.118 -0.684 -1.954 1.00 0.00 H ATOM 99 HB2 ASP A 7 -0.322 1.677 -3.116 1.00 0.00 H ATOM 100 HB3 ASP A 7 1.366 1.471 -3.414 1.00 0.00 H ATOM 101 N GLY A 8 2.316 0.286 -0.284 1.00 0.00 N ATOM 102 CA GLY A 8 3.648 0.006 0.221 1.00 0.00 C ATOM 103 C GLY A 8 4.504 1.253 0.320 1.00 0.00 C ATOM 104 O GLY A 8 4.648 1.995 -0.651 1.00 0.00 O ATOM 105 H GLY A 8 1.691 0.812 0.255 1.00 0.00 H ATOM 106 HA2 GLY A 8 3.563 -0.439 1.201 1.00 0.00 H ATOM 107 HA3 GLY A 8 4.131 -0.697 -0.442 1.00 0.00 H ATOM 108 N ARG A 9 5.074 1.484 1.498 1.00 0.00 N ATOM 109 CA ARG A 9 5.920 2.650 1.723 1.00 0.00 C ATOM 110 C ARG A 9 7.121 2.291 2.591 1.00 0.00 C ATOM 111 O ARG A 9 7.117 2.522 3.801 1.00 0.00 O ATOM 112 CB ARG A 9 5.116 3.771 2.382 1.00 0.00 C ATOM 113 CG ARG A 9 5.671 5.160 2.107 1.00 0.00 C ATOM 114 CD ARG A 9 5.183 5.700 0.773 1.00 0.00 C ATOM 115 NE ARG A 9 5.968 6.851 0.328 1.00 0.00 N ATOM 116 CZ ARG A 9 7.238 6.775 -0.067 1.00 0.00 C ATOM 117 NH1 ARG A 9 7.863 5.594 -0.070 1.00 0.00 N ATOM 118 NH2 ARG A 9 7.868 7.885 -0.456 1.00 0.00 N ATOM 119 H ARG A 9 4.922 0.855 2.235 1.00 0.00 H ATOM 120 HA ARG A 9 6.276 2.991 0.762 1.00 0.00 H ATOM 121 HB2 ARG A 9 4.101 3.734 2.016 1.00 0.00 H ATOM 122 HB3 ARG A 9 5.110 3.615 3.451 1.00 0.00 H ATOM 123 HG2 ARG A 9 5.349 5.828 2.893 1.00 0.00 H ATOM 124 HG3 ARG A 9 6.749 5.110 2.093 1.00 0.00 H ATOM 125 HD2 ARG A 9 5.259 4.918 0.033 1.00 0.00 H ATOM 126 HD3 ARG A 9 4.151 6.000 0.875 1.00 0.00 H ATOM 127 HE ARG A 9 5.526 7.725 0.324 1.00 0.00 H ATOM 128 HH11 ARG A 9 7.374 4.772 0.224 1.00 0.00 H ATOM 129 HH12 ARG A 9 8.816 5.523 -0.365 1.00 0.00 H ATOM 130 HH21 ARG A 9 7.382 8.761 -0.447 1.00 0.00 H ATOM 131 HH22 ARG A 9 8.822 7.853 -0.757 1.00 0.00 H ATOM 132 N LYS A 10 8.149 1.725 1.967 1.00 0.00 N ATOM 133 CA LYS A 10 9.358 1.335 2.683 1.00 0.00 C ATOM 134 C LYS A 10 10.562 2.137 2.198 1.00 0.00 C ATOM 135 O LYS A 10 11.366 2.613 2.999 1.00 0.00 O ATOM 136 CB LYS A 10 9.622 -0.162 2.501 1.00 0.00 C ATOM 137 CG LYS A 10 10.862 -0.655 3.228 1.00 0.00 C ATOM 138 CD LYS A 10 10.698 -0.567 4.736 1.00 0.00 C ATOM 139 CE LYS A 10 12.034 -0.680 5.450 1.00 0.00 C ATOM 140 NZ LYS A 10 12.828 0.575 5.348 1.00 0.00 N ATOM 141 H LYS A 10 8.093 1.567 1.002 1.00 0.00 H ATOM 142 HA LYS A 10 9.204 1.539 3.732 1.00 0.00 H ATOM 143 HB2 LYS A 10 8.770 -0.713 2.873 1.00 0.00 H ATOM 144 HB3 LYS A 10 9.742 -0.369 1.448 1.00 0.00 H ATOM 145 HG2 LYS A 10 11.042 -1.685 2.956 1.00 0.00 H ATOM 146 HG3 LYS A 10 11.706 -0.049 2.931 1.00 0.00 H ATOM 147 HD2 LYS A 10 10.248 0.383 4.985 1.00 0.00 H ATOM 148 HD3 LYS A 10 10.053 -1.369 5.066 1.00 0.00 H ATOM 149 HE2 LYS A 10 11.854 -0.897 6.493 1.00 0.00 H ATOM 150 HE3 LYS A 10 12.596 -1.490 5.007 1.00 0.00 H ATOM 151 HZ1 LYS A 10 12.634 1.047 4.441 1.00 0.00 H ATOM 152 HZ2 LYS A 10 13.843 0.361 5.403 1.00 0.00 H ATOM 153 HZ3 LYS A 10 12.577 1.221 6.123 1.00 0.00 H ATOM 154 N PHE A 11 10.676 2.284 0.882 1.00 0.00 N ATOM 155 CA PHE A 11 11.781 3.029 0.291 1.00 0.00 C ATOM 156 C PHE A 11 11.471 4.523 0.254 1.00 0.00 C ATOM 157 O PHE A 11 10.436 4.965 0.752 1.00 0.00 O ATOM 158 CB PHE A 11 12.070 2.518 -1.123 1.00 0.00 C ATOM 159 CG PHE A 11 13.422 1.879 -1.266 1.00 0.00 C ATOM 160 CD1 PHE A 11 13.709 0.683 -0.628 1.00 0.00 C ATOM 161 CD2 PHE A 11 14.406 2.475 -2.038 1.00 0.00 C ATOM 162 CE1 PHE A 11 14.952 0.093 -0.758 1.00 0.00 C ATOM 163 CE2 PHE A 11 15.650 1.890 -2.172 1.00 0.00 C ATOM 164 CZ PHE A 11 15.924 0.698 -1.530 1.00 0.00 C ATOM 165 H PHE A 11 10.003 1.882 0.295 1.00 0.00 H ATOM 166 HA PHE A 11 12.654 2.870 0.906 1.00 0.00 H ATOM 167 HB2 PHE A 11 11.326 1.781 -1.390 1.00 0.00 H ATOM 168 HB3 PHE A 11 12.016 3.343 -1.818 1.00 0.00 H ATOM 169 HD1 PHE A 11 12.948 0.209 -0.024 1.00 0.00 H ATOM 170 HD2 PHE A 11 14.193 3.408 -2.541 1.00 0.00 H ATOM 171 HE1 PHE A 11 15.162 -0.839 -0.256 1.00 0.00 H ATOM 172 HE2 PHE A 11 16.409 2.365 -2.777 1.00 0.00 H ATOM 173 HZ PHE A 11 16.896 0.239 -1.633 1.00 0.00 H ATOM 174 N ALA A 12 12.376 5.295 -0.339 1.00 0.00 N ATOM 175 CA ALA A 12 12.200 6.739 -0.440 1.00 0.00 C ATOM 176 C ALA A 12 12.941 7.299 -1.649 1.00 0.00 C ATOM 177 O ALA A 12 12.411 7.325 -2.760 1.00 0.00 O ATOM 178 CB ALA A 12 12.676 7.420 0.835 1.00 0.00 C ATOM 179 H ALA A 12 13.181 4.885 -0.716 1.00 0.00 H ATOM 180 HA ALA A 12 11.144 6.938 -0.553 1.00 0.00 H ATOM 181 HB1 ALA A 12 13.447 6.819 1.296 1.00 0.00 H ATOM 182 HB2 ALA A 12 11.846 7.526 1.517 1.00 0.00 H ATOM 183 HB3 ALA A 12 13.073 8.394 0.596 1.00 0.00 H HETATM 184 N NH2 A 13 14.172 7.751 -1.445 1.00 0.00 N TER 185 NH2 A 13 HETATM 186 RH RH3 A 14 -1.200 -2.200 -5.642 1.00 0.00 RH HETATM 187 RH RH3 A 15 -0.597 -0.473 -7.170 1.00 0.00 RH HETATM 188 C ACT A 16 1.410 -2.467 -6.771 1.00 0.00 C HETATM 189 O ACT A 16 0.619 -3.048 -5.963 1.00 0.00 O HETATM 190 OXT ACT A 16 1.195 -1.397 -7.423 1.00 0.00 O HETATM 191 CH3 ACT A 16 2.751 -3.125 -6.985 1.00 0.00 C HETATM 192 H1 ACT A 16 3.442 -2.789 -6.227 1.00 0.00 H HETATM 193 H2 ACT A 16 3.131 -2.860 -7.961 1.00 0.00 H HETATM 194 H3 ACT A 16 2.641 -4.198 -6.921 1.00 0.00 H HETATM 195 C ACT A 17 -1.906 -2.718 -8.358 1.00 0.00 C HETATM 196 O ACT A 17 -1.971 -3.244 -7.204 1.00 0.00 O HETATM 197 OXT ACT A 17 -1.396 -1.595 -8.665 1.00 0.00 O HETATM 198 CH3 ACT A 17 -2.496 -3.523 -9.493 1.00 0.00 C HETATM 199 H1 ACT A 17 -2.209 -4.557 -9.388 1.00 0.00 H HETATM 200 H2 ACT A 17 -2.130 -3.139 -10.433 1.00 0.00 H HETATM 201 H3 ACT A 17 -3.575 -3.444 -9.466 1.00 0.00 H ENDMDL MODEL 2 ATOM 1 N PRO A 1 -10.896 -7.897 -4.538 1.00 0.00 N ATOM 2 CA PRO A 1 -11.258 -6.526 -4.086 1.00 0.00 C ATOM 3 C PRO A 1 -10.173 -5.509 -4.433 1.00 0.00 C ATOM 4 O PRO A 1 -8.985 -5.757 -4.222 1.00 0.00 O ATOM 5 CB PRO A 1 -11.474 -6.581 -2.576 1.00 0.00 C ATOM 6 CG PRO A 1 -11.023 -7.949 -2.190 1.00 0.00 C ATOM 7 CD PRO A 1 -11.183 -8.811 -3.418 1.00 0.00 C ATOM 8 H2 PRO A 1 -9.914 -7.784 -4.840 1.00 0.00 H ATOM 9 H3 PRO A 1 -11.438 -7.973 -5.430 1.00 0.00 H ATOM 10 HA PRO A 1 -12.181 -6.237 -4.566 1.00 0.00 H ATOM 11 HB2 PRO A 1 -10.882 -5.815 -2.094 1.00 0.00 H ATOM 12 HB3 PRO A 1 -12.520 -6.432 -2.352 1.00 0.00 H ATOM 13 HG2 PRO A 1 -9.987 -7.920 -1.885 1.00 0.00 H ATOM 14 HG3 PRO A 1 -11.640 -8.324 -1.387 1.00 0.00 H ATOM 15 HD2 PRO A 1 -10.475 -9.626 -3.399 1.00 0.00 H ATOM 16 HD3 PRO A 1 -12.192 -9.188 -3.484 1.00 0.00 H ATOM 17 N PHE A 2 -10.589 -4.364 -4.964 1.00 0.00 N ATOM 18 CA PHE A 2 -9.654 -3.312 -5.339 1.00 0.00 C ATOM 19 C PHE A 2 -9.332 -2.408 -4.142 1.00 0.00 C ATOM 20 O PHE A 2 -9.345 -2.869 -3.000 1.00 0.00 O ATOM 21 CB PHE A 2 -10.218 -2.503 -6.511 1.00 0.00 C ATOM 22 CG PHE A 2 -9.288 -2.451 -7.686 1.00 0.00 C ATOM 23 CD1 PHE A 2 -9.129 -3.559 -8.498 1.00 0.00 C ATOM 24 CD2 PHE A 2 -8.573 -1.302 -7.975 1.00 0.00 C ATOM 25 CE1 PHE A 2 -8.272 -3.523 -9.582 1.00 0.00 C ATOM 26 CE2 PHE A 2 -7.715 -1.258 -9.056 1.00 0.00 C ATOM 27 CZ PHE A 2 -7.564 -2.370 -9.862 1.00 0.00 C ATOM 28 H PHE A 2 -11.546 -4.224 -5.107 1.00 0.00 H ATOM 29 HA PHE A 2 -8.739 -3.792 -5.655 1.00 0.00 H ATOM 30 HB2 PHE A 2 -11.142 -2.956 -6.841 1.00 0.00 H ATOM 31 HB3 PHE A 2 -10.415 -1.492 -6.191 1.00 0.00 H ATOM 32 HD1 PHE A 2 -9.684 -4.459 -8.276 1.00 0.00 H ATOM 33 HD2 PHE A 2 -8.689 -0.434 -7.347 1.00 0.00 H ATOM 34 HE1 PHE A 2 -8.156 -4.395 -10.208 1.00 0.00 H ATOM 35 HE2 PHE A 2 -7.163 -0.355 -9.270 1.00 0.00 H ATOM 36 HZ PHE A 2 -6.894 -2.338 -10.707 1.00 0.00 H ATOM 37 N ALA A 3 -9.016 -1.133 -4.411 1.00 0.00 N ATOM 38 CA ALA A 3 -8.659 -0.165 -3.368 1.00 0.00 C ATOM 39 C ALA A 3 -7.145 -0.082 -3.252 1.00 0.00 C ATOM 40 O ALA A 3 -6.551 -0.563 -2.287 1.00 0.00 O ATOM 41 CB ALA A 3 -9.284 -0.520 -2.023 1.00 0.00 C ATOM 42 H ALA A 3 -9.000 -0.836 -5.345 1.00 0.00 H ATOM 43 HA ALA A 3 -9.036 0.802 -3.673 1.00 0.00 H ATOM 44 HB1 ALA A 3 -10.263 -0.946 -2.182 1.00 0.00 H ATOM 45 HB2 ALA A 3 -9.374 0.373 -1.421 1.00 0.00 H ATOM 46 HB3 ALA A 3 -8.658 -1.236 -1.513 1.00 0.00 H ATOM 47 N ASP A 4 -6.529 0.506 -4.270 1.00 0.00 N ATOM 48 CA ASP A 4 -5.081 0.634 -4.331 1.00 0.00 C ATOM 49 C ASP A 4 -4.621 1.974 -3.735 1.00 0.00 C ATOM 50 O ASP A 4 -4.014 2.794 -4.423 1.00 0.00 O ATOM 51 CB ASP A 4 -4.659 0.483 -5.803 1.00 0.00 C ATOM 52 CG ASP A 4 -3.288 -0.137 -6.010 1.00 0.00 C ATOM 53 OD1 ASP A 4 -3.024 -1.195 -5.399 1.00 0.00 O ATOM 54 OD2 ASP A 4 -2.496 0.421 -6.800 1.00 0.00 O ATOM 55 H ASP A 4 -7.066 0.844 -5.016 1.00 0.00 H ATOM 56 HA ASP A 4 -4.673 -0.186 -3.761 1.00 0.00 H ATOM 57 HB2 ASP A 4 -5.375 -0.168 -6.282 1.00 0.00 H ATOM 58 HB3 ASP A 4 -4.702 1.444 -6.291 1.00 0.00 H ATOM 59 N SER A 5 -4.918 2.180 -2.445 1.00 0.00 N ATOM 60 CA SER A 5 -4.539 3.414 -1.741 1.00 0.00 C ATOM 61 C SER A 5 -3.268 3.200 -0.920 1.00 0.00 C ATOM 62 O SER A 5 -2.357 4.028 -0.937 1.00 0.00 O ATOM 63 CB SER A 5 -5.678 3.888 -0.836 1.00 0.00 C ATOM 64 OG SER A 5 -5.933 2.960 0.204 1.00 0.00 O ATOM 65 H SER A 5 -5.396 1.481 -1.952 1.00 0.00 H ATOM 66 HA SER A 5 -4.339 4.170 -2.486 1.00 0.00 H ATOM 67 HB2 SER A 5 -5.414 4.841 -0.402 1.00 0.00 H ATOM 68 HB3 SER A 5 -6.574 4.010 -1.427 1.00 0.00 H ATOM 69 HG SER A 5 -6.809 3.115 0.564 1.00 0.00 H ATOM 70 N ILE A 6 -3.187 2.047 -0.270 1.00 0.00 N ATOM 71 CA ILE A 6 -2.007 1.662 0.483 1.00 0.00 C ATOM 72 C ILE A 6 -1.298 0.648 -0.379 1.00 0.00 C ATOM 73 O ILE A 6 -1.803 -0.454 -0.594 1.00 0.00 O ATOM 74 CB ILE A 6 -2.347 1.054 1.858 1.00 0.00 C ATOM 75 CG1 ILE A 6 -3.203 2.025 2.672 1.00 0.00 C ATOM 76 CG2 ILE A 6 -1.073 0.702 2.611 1.00 0.00 C ATOM 77 CD1 ILE A 6 -4.690 1.779 2.537 1.00 0.00 C ATOM 78 H ILE A 6 -3.910 1.403 -0.361 1.00 0.00 H ATOM 79 HA ILE A 6 -1.371 2.528 0.605 1.00 0.00 H ATOM 80 HB ILE A 6 -2.903 0.143 1.696 1.00 0.00 H ATOM 81 HG12 ILE A 6 -2.946 1.933 3.717 1.00 0.00 H ATOM 82 HG13 ILE A 6 -3.002 3.035 2.344 1.00 0.00 H ATOM 83 HG21 ILE A 6 -0.806 -0.324 2.408 1.00 0.00 H ATOM 84 HG22 ILE A 6 -1.235 0.828 3.672 1.00 0.00 H ATOM 85 HG23 ILE A 6 -0.273 1.353 2.290 1.00 0.00 H ATOM 86 HD11 ILE A 6 -5.056 1.289 3.428 1.00 0.00 H ATOM 87 HD12 ILE A 6 -4.875 1.150 1.679 1.00 0.00 H ATOM 88 HD13 ILE A 6 -5.201 2.722 2.410 1.00 0.00 H ATOM 89 N ASP A 7 -0.185 1.056 -0.963 1.00 0.00 N ATOM 90 CA ASP A 7 0.503 0.192 -1.907 1.00 0.00 C ATOM 91 C ASP A 7 1.921 -0.174 -1.473 1.00 0.00 C ATOM 92 O ASP A 7 2.649 -0.848 -2.201 1.00 0.00 O ATOM 93 CB ASP A 7 0.462 0.932 -3.242 1.00 0.00 C ATOM 94 CG ASP A 7 0.035 0.103 -4.419 1.00 0.00 C ATOM 95 OD1 ASP A 7 -0.450 -1.022 -4.189 1.00 0.00 O ATOM 96 OD2 ASP A 7 0.128 0.605 -5.558 1.00 0.00 O ATOM 97 H ASP A 7 0.132 1.967 -0.811 1.00 0.00 H ATOM 98 HA ASP A 7 -0.130 -0.676 -1.965 1.00 0.00 H ATOM 99 HB2 ASP A 7 -0.310 1.686 -3.128 1.00 0.00 H ATOM 100 HB3 ASP A 7 1.378 1.467 -3.420 1.00 0.00 H ATOM 101 N GLY A 8 2.302 0.273 -0.282 1.00 0.00 N ATOM 102 CA GLY A 8 3.628 -0.017 0.232 1.00 0.00 C ATOM 103 C GLY A 8 4.492 1.222 0.341 1.00 0.00 C ATOM 104 O GLY A 8 4.715 1.923 -0.646 1.00 0.00 O ATOM 105 H GLY A 8 1.677 0.804 0.253 1.00 0.00 H ATOM 106 HA2 GLY A 8 3.532 -0.462 1.212 1.00 0.00 H ATOM 107 HA3 GLY A 8 4.112 -0.722 -0.424 1.00 0.00 H ATOM 108 N ARG A 9 4.977 1.492 1.547 1.00 0.00 N ATOM 109 CA ARG A 9 5.819 2.650 1.794 1.00 0.00 C ATOM 110 C ARG A 9 6.446 2.556 3.190 1.00 0.00 C ATOM 111 O ARG A 9 6.862 1.477 3.610 1.00 0.00 O ATOM 112 CB ARG A 9 4.993 3.933 1.637 1.00 0.00 C ATOM 113 CG ARG A 9 5.807 5.129 1.169 1.00 0.00 C ATOM 114 CD ARG A 9 5.703 5.321 -0.336 1.00 0.00 C ATOM 115 NE ARG A 9 6.934 4.937 -1.023 1.00 0.00 N ATOM 116 CZ ARG A 9 8.060 5.647 -0.983 1.00 0.00 C ATOM 117 NH1 ARG A 9 8.104 6.784 -0.282 1.00 0.00 N ATOM 118 NH2 ARG A 9 9.133 5.210 -1.646 1.00 0.00 N ATOM 119 H ARG A 9 4.761 0.897 2.292 1.00 0.00 H ATOM 120 HA ARG A 9 6.609 2.647 1.058 1.00 0.00 H ATOM 121 HB2 ARG A 9 4.210 3.754 0.915 1.00 0.00 H ATOM 122 HB3 ARG A 9 4.543 4.178 2.587 1.00 0.00 H ATOM 123 HG2 ARG A 9 5.439 6.017 1.661 1.00 0.00 H ATOM 124 HG3 ARG A 9 6.843 4.972 1.433 1.00 0.00 H ATOM 125 HD2 ARG A 9 4.890 4.717 -0.709 1.00 0.00 H ATOM 126 HD3 ARG A 9 5.499 6.362 -0.539 1.00 0.00 H ATOM 127 HE ARG A 9 6.921 4.106 -1.542 1.00 0.00 H ATOM 128 HH11 ARG A 9 7.290 7.096 0.209 1.00 0.00 H ATOM 129 HH12 ARG A 9 8.943 7.327 -0.243 1.00 0.00 H ATOM 130 HH21 ARG A 9 9.080 4.356 -2.166 1.00 0.00 H ATOM 131 HH22 ARG A 9 9.989 5.727 -1.631 1.00 0.00 H ATOM 132 N LYS A 10 6.514 3.683 3.903 1.00 0.00 N ATOM 133 CA LYS A 10 7.090 3.728 5.250 1.00 0.00 C ATOM 134 C LYS A 10 8.610 3.874 5.202 1.00 0.00 C ATOM 135 O LYS A 10 9.192 4.630 5.979 1.00 0.00 O ATOM 136 CB LYS A 10 6.708 2.480 6.055 1.00 0.00 C ATOM 137 CG LYS A 10 6.294 2.781 7.486 1.00 0.00 C ATOM 138 CD LYS A 10 5.215 1.824 7.967 1.00 0.00 C ATOM 139 CE LYS A 10 4.153 2.545 8.781 1.00 0.00 C ATOM 140 NZ LYS A 10 2.903 1.744 8.897 1.00 0.00 N ATOM 141 H LYS A 10 6.170 4.507 3.515 1.00 0.00 H ATOM 142 HA LYS A 10 6.681 4.596 5.747 1.00 0.00 H ATOM 143 HB2 LYS A 10 5.884 1.986 5.561 1.00 0.00 H ATOM 144 HB3 LYS A 10 7.554 1.809 6.081 1.00 0.00 H ATOM 145 HG2 LYS A 10 7.157 2.687 8.128 1.00 0.00 H ATOM 146 HG3 LYS A 10 5.915 3.792 7.535 1.00 0.00 H ATOM 147 HD2 LYS A 10 4.746 1.364 7.110 1.00 0.00 H ATOM 148 HD3 LYS A 10 5.672 1.062 8.582 1.00 0.00 H ATOM 149 HE2 LYS A 10 4.541 2.734 9.770 1.00 0.00 H ATOM 150 HE3 LYS A 10 3.925 3.485 8.299 1.00 0.00 H ATOM 151 HZ1 LYS A 10 2.914 1.189 9.777 1.00 0.00 H ATOM 152 HZ2 LYS A 10 2.819 1.093 8.091 1.00 0.00 H ATOM 153 HZ3 LYS A 10 2.075 2.373 8.907 1.00 0.00 H ATOM 154 N PHE A 11 9.248 3.150 4.288 1.00 0.00 N ATOM 155 CA PHE A 11 10.698 3.205 4.146 1.00 0.00 C ATOM 156 C PHE A 11 11.091 3.713 2.762 1.00 0.00 C ATOM 157 O PHE A 11 10.509 3.311 1.755 1.00 0.00 O ATOM 158 CB PHE A 11 11.308 1.822 4.389 1.00 0.00 C ATOM 159 CG PHE A 11 11.821 1.630 5.787 1.00 0.00 C ATOM 160 CD1 PHE A 11 10.959 1.697 6.870 1.00 0.00 C ATOM 161 CD2 PHE A 11 13.164 1.381 6.018 1.00 0.00 C ATOM 162 CE1 PHE A 11 11.427 1.520 8.157 1.00 0.00 C ATOM 163 CE2 PHE A 11 13.638 1.203 7.303 1.00 0.00 C ATOM 164 CZ PHE A 11 12.769 1.272 8.374 1.00 0.00 C ATOM 165 H PHE A 11 8.733 2.565 3.696 1.00 0.00 H ATOM 166 HA PHE A 11 11.078 3.891 4.889 1.00 0.00 H ATOM 167 HB2 PHE A 11 10.557 1.069 4.205 1.00 0.00 H ATOM 168 HB3 PHE A 11 12.133 1.675 3.707 1.00 0.00 H ATOM 169 HD1 PHE A 11 9.910 1.890 6.701 1.00 0.00 H ATOM 170 HD2 PHE A 11 13.844 1.326 5.181 1.00 0.00 H ATOM 171 HE1 PHE A 11 10.746 1.575 8.993 1.00 0.00 H ATOM 172 HE2 PHE A 11 14.688 1.009 7.470 1.00 0.00 H ATOM 173 HZ PHE A 11 13.138 1.133 9.380 1.00 0.00 H ATOM 174 N ALA A 12 12.081 4.598 2.722 1.00 0.00 N ATOM 175 CA ALA A 12 12.552 5.160 1.462 1.00 0.00 C ATOM 176 C ALA A 12 13.657 4.301 0.856 1.00 0.00 C ATOM 177 O ALA A 12 13.590 3.915 -0.311 1.00 0.00 O ATOM 178 CB ALA A 12 13.045 6.584 1.673 1.00 0.00 C ATOM 179 H ALA A 12 12.506 4.879 3.559 1.00 0.00 H ATOM 180 HA ALA A 12 11.717 5.191 0.778 1.00 0.00 H ATOM 181 HB1 ALA A 12 14.008 6.564 2.160 1.00 0.00 H ATOM 182 HB2 ALA A 12 12.340 7.121 2.290 1.00 0.00 H ATOM 183 HB3 ALA A 12 13.136 7.079 0.717 1.00 0.00 H HETATM 184 N NH2 A 13 14.682 3.995 1.643 1.00 0.00 N TER 185 NH2 A 13 HETATM 186 RH RH3 A 14 -1.195 -2.189 -5.661 1.00 0.00 RH HETATM 187 RH RH3 A 15 -0.597 -0.453 -7.182 1.00 0.00 RH HETATM 188 C ACT A 16 1.413 -2.447 -6.798 1.00 0.00 C HETATM 189 O ACT A 16 0.625 -3.032 -5.991 1.00 0.00 O HETATM 190 OXT ACT A 16 1.196 -1.374 -7.444 1.00 0.00 O HETATM 191 CH3 ACT A 16 2.755 -3.102 -7.018 1.00 0.00 C HETATM 192 H1 ACT A 16 3.048 -2.986 -8.051 1.00 0.00 H HETATM 193 H2 ACT A 16 2.686 -4.153 -6.779 1.00 0.00 H HETATM 194 H3 ACT A 16 3.492 -2.636 -6.381 1.00 0.00 H HETATM 195 C ACT A 17 -1.906 -2.694 -8.380 1.00 0.00 C HETATM 196 O ACT A 17 -1.967 -3.226 -7.228 1.00 0.00 O HETATM 197 OXT ACT A 17 -1.398 -1.569 -8.682 1.00 0.00 O HETATM 198 CH3 ACT A 17 -2.497 -3.493 -9.517 1.00 0.00 C HETATM 199 H1 ACT A 17 -3.577 -3.432 -9.476 1.00 0.00 H HETATM 200 H2 ACT A 17 -2.191 -4.525 -9.429 1.00 0.00 H HETATM 201 H3 ACT A 17 -2.150 -3.092 -10.457 1.00 0.00 H ENDMDL MODEL 3 ATOM 1 N PRO A 1 -12.567 -6.579 -5.229 1.00 0.00 N ATOM 2 CA PRO A 1 -11.697 -6.347 -4.044 1.00 0.00 C ATOM 3 C PRO A 1 -10.533 -5.410 -4.369 1.00 0.00 C ATOM 4 O PRO A 1 -9.371 -5.739 -4.135 1.00 0.00 O ATOM 5 CB PRO A 1 -11.178 -7.707 -3.581 1.00 0.00 C ATOM 6 CG PRO A 1 -11.929 -8.690 -4.414 1.00 0.00 C ATOM 7 CD PRO A 1 -12.326 -7.963 -5.675 1.00 0.00 C ATOM 8 H2 PRO A 1 -12.302 -5.805 -5.860 1.00 0.00 H ATOM 9 H3 PRO A 1 -13.505 -6.305 -4.855 1.00 0.00 H ATOM 10 HA PRO A 1 -12.294 -5.909 -3.258 1.00 0.00 H ATOM 11 HB2 PRO A 1 -10.113 -7.771 -3.754 1.00 0.00 H ATOM 12 HB3 PRO A 1 -11.388 -7.838 -2.530 1.00 0.00 H ATOM 13 HG2 PRO A 1 -11.294 -9.530 -4.651 1.00 0.00 H ATOM 14 HG3 PRO A 1 -12.809 -9.024 -3.882 1.00 0.00 H ATOM 15 HD2 PRO A 1 -11.524 -7.997 -6.397 1.00 0.00 H ATOM 16 HD3 PRO A 1 -13.226 -8.392 -6.089 1.00 0.00 H ATOM 17 N PHE A 2 -10.858 -4.241 -4.910 1.00 0.00 N ATOM 18 CA PHE A 2 -9.845 -3.256 -5.267 1.00 0.00 C ATOM 19 C PHE A 2 -9.500 -2.362 -4.070 1.00 0.00 C ATOM 20 O PHE A 2 -9.604 -2.799 -2.924 1.00 0.00 O ATOM 21 CB PHE A 2 -10.324 -2.423 -6.460 1.00 0.00 C ATOM 22 CG PHE A 2 -9.366 -2.442 -7.613 1.00 0.00 C ATOM 23 CD1 PHE A 2 -9.198 -3.594 -8.360 1.00 0.00 C ATOM 24 CD2 PHE A 2 -8.634 -1.316 -7.948 1.00 0.00 C ATOM 25 CE1 PHE A 2 -8.317 -3.624 -9.424 1.00 0.00 C ATOM 26 CE2 PHE A 2 -7.751 -1.338 -9.008 1.00 0.00 C ATOM 27 CZ PHE A 2 -7.592 -2.492 -9.749 1.00 0.00 C ATOM 28 H PHE A 2 -11.800 -4.034 -5.073 1.00 0.00 H ATOM 29 HA PHE A 2 -8.955 -3.799 -5.555 1.00 0.00 H ATOM 30 HB2 PHE A 2 -11.268 -2.816 -6.809 1.00 0.00 H ATOM 31 HB3 PHE A 2 -10.460 -1.398 -6.152 1.00 0.00 H ATOM 32 HD1 PHE A 2 -9.765 -4.477 -8.103 1.00 0.00 H ATOM 33 HD2 PHE A 2 -8.755 -0.415 -7.369 1.00 0.00 H ATOM 34 HE1 PHE A 2 -8.193 -4.528 -10.000 1.00 0.00 H ATOM 35 HE2 PHE A 2 -7.188 -0.452 -9.258 1.00 0.00 H ATOM 36 HZ PHE A 2 -6.902 -2.512 -10.579 1.00 0.00 H ATOM 37 N ALA A 3 -9.067 -1.120 -4.345 1.00 0.00 N ATOM 38 CA ALA A 3 -8.678 -0.161 -3.302 1.00 0.00 C ATOM 39 C ALA A 3 -7.161 -0.091 -3.213 1.00 0.00 C ATOM 40 O ALA A 3 -6.554 -0.578 -2.259 1.00 0.00 O ATOM 41 CB ALA A 3 -9.280 -0.511 -1.946 1.00 0.00 C ATOM 42 H ALA A 3 -8.988 -0.843 -5.282 1.00 0.00 H ATOM 43 HA ALA A 3 -9.052 0.811 -3.597 1.00 0.00 H ATOM 44 HB1 ALA A 3 -10.305 -0.824 -2.076 1.00 0.00 H ATOM 45 HB2 ALA A 3 -9.248 0.356 -1.302 1.00 0.00 H ATOM 46 HB3 ALA A 3 -8.712 -1.314 -1.497 1.00 0.00 H ATOM 47 N ASP A 4 -6.559 0.495 -4.238 1.00 0.00 N ATOM 48 CA ASP A 4 -5.111 0.613 -4.324 1.00 0.00 C ATOM 49 C ASP A 4 -4.635 1.954 -3.743 1.00 0.00 C ATOM 50 O ASP A 4 -4.042 2.771 -4.448 1.00 0.00 O ATOM 51 CB ASP A 4 -4.712 0.451 -5.801 1.00 0.00 C ATOM 52 CG ASP A 4 -3.344 -0.171 -6.024 1.00 0.00 C ATOM 53 OD1 ASP A 4 -3.068 -1.221 -5.404 1.00 0.00 O ATOM 54 OD2 ASP A 4 -2.568 0.378 -6.836 1.00 0.00 O ATOM 55 H ASP A 4 -7.106 0.841 -4.976 1.00 0.00 H ATOM 56 HA ASP A 4 -4.698 -0.206 -3.755 1.00 0.00 H ATOM 57 HB2 ASP A 4 -5.437 -0.200 -6.264 1.00 0.00 H ATOM 58 HB3 ASP A 4 -4.760 1.410 -6.293 1.00 0.00 H ATOM 59 N SER A 5 -4.904 2.167 -2.447 1.00 0.00 N ATOM 60 CA SER A 5 -4.509 3.405 -1.758 1.00 0.00 C ATOM 61 C SER A 5 -3.224 3.194 -0.958 1.00 0.00 C ATOM 62 O SER A 5 -2.315 4.023 -0.991 1.00 0.00 O ATOM 63 CB SER A 5 -5.631 3.887 -0.836 1.00 0.00 C ATOM 64 OG SER A 5 -5.869 2.967 0.214 1.00 0.00 O ATOM 65 H SER A 5 -5.373 1.471 -1.941 1.00 0.00 H ATOM 66 HA SER A 5 -4.319 4.155 -2.511 1.00 0.00 H ATOM 67 HB2 SER A 5 -5.357 4.842 -0.414 1.00 0.00 H ATOM 68 HB3 SER A 5 -6.536 4.007 -1.413 1.00 0.00 H ATOM 69 HG SER A 5 -6.762 2.622 0.142 1.00 0.00 H ATOM 70 N ILE A 6 -3.130 2.044 -0.303 1.00 0.00 N ATOM 71 CA ILE A 6 -1.936 1.665 0.432 1.00 0.00 C ATOM 72 C ILE A 6 -1.233 0.657 -0.441 1.00 0.00 C ATOM 73 O ILE A 6 -1.729 -0.453 -0.640 1.00 0.00 O ATOM 74 CB ILE A 6 -2.251 1.055 1.812 1.00 0.00 C ATOM 75 CG1 ILE A 6 -3.124 2.009 2.628 1.00 0.00 C ATOM 76 CG2 ILE A 6 -0.964 0.737 2.557 1.00 0.00 C ATOM 77 CD1 ILE A 6 -4.137 1.302 3.502 1.00 0.00 C ATOM 78 H ILE A 6 -3.853 1.399 -0.380 1.00 0.00 H ATOM 79 HA ILE A 6 -1.303 2.536 0.544 1.00 0.00 H ATOM 80 HB ILE A 6 -2.787 0.131 1.658 1.00 0.00 H ATOM 81 HG12 ILE A 6 -2.494 2.605 3.269 1.00 0.00 H ATOM 82 HG13 ILE A 6 -3.664 2.659 1.955 1.00 0.00 H ATOM 83 HG21 ILE A 6 -1.167 0.677 3.616 1.00 0.00 H ATOM 84 HG22 ILE A 6 -0.239 1.517 2.373 1.00 0.00 H ATOM 85 HG23 ILE A 6 -0.572 -0.208 2.211 1.00 0.00 H ATOM 86 HD11 ILE A 6 -5.064 1.187 2.959 1.00 0.00 H ATOM 87 HD12 ILE A 6 -4.313 1.885 4.394 1.00 0.00 H ATOM 88 HD13 ILE A 6 -3.759 0.329 3.777 1.00 0.00 H ATOM 89 N ASP A 7 -0.138 1.076 -1.051 1.00 0.00 N ATOM 90 CA ASP A 7 0.541 0.217 -2.006 1.00 0.00 C ATOM 91 C ASP A 7 1.976 -0.119 -1.610 1.00 0.00 C ATOM 92 O ASP A 7 2.698 -0.782 -2.354 1.00 0.00 O ATOM 93 CB ASP A 7 0.449 0.946 -3.344 1.00 0.00 C ATOM 94 CG ASP A 7 0.005 0.103 -4.504 1.00 0.00 C ATOM 95 OD1 ASP A 7 -0.471 -1.022 -4.253 1.00 0.00 O ATOM 96 OD2 ASP A 7 0.076 0.592 -5.650 1.00 0.00 O ATOM 97 H ASP A 7 0.171 1.991 -0.909 1.00 0.00 H ATOM 98 HA ASP A 7 -0.077 -0.663 -2.040 1.00 0.00 H ATOM 99 HB2 ASP A 7 -0.333 1.687 -3.213 1.00 0.00 H ATOM 100 HB3 ASP A 7 1.350 1.497 -3.549 1.00 0.00 H ATOM 101 N GLY A 8 2.382 0.344 -0.433 1.00 0.00 N ATOM 102 CA GLY A 8 3.729 0.084 0.043 1.00 0.00 C ATOM 103 C GLY A 8 4.169 1.077 1.100 1.00 0.00 C ATOM 104 O GLY A 8 3.953 2.281 0.960 1.00 0.00 O ATOM 105 H GLY A 8 1.763 0.866 0.117 1.00 0.00 H ATOM 106 HA2 GLY A 8 3.766 -0.910 0.460 1.00 0.00 H ATOM 107 HA3 GLY A 8 4.410 0.139 -0.793 1.00 0.00 H ATOM 108 N ARG A 9 4.787 0.571 2.162 1.00 0.00 N ATOM 109 CA ARG A 9 5.259 1.422 3.250 1.00 0.00 C ATOM 110 C ARG A 9 4.093 2.145 3.917 1.00 0.00 C ATOM 111 O ARG A 9 3.771 3.280 3.567 1.00 0.00 O ATOM 112 CB ARG A 9 6.274 2.439 2.727 1.00 0.00 C ATOM 113 CG ARG A 9 6.833 3.352 3.808 1.00 0.00 C ATOM 114 CD ARG A 9 8.321 3.600 3.614 1.00 0.00 C ATOM 115 NE ARG A 9 8.930 4.218 4.790 1.00 0.00 N ATOM 116 CZ ARG A 9 9.104 3.592 5.952 1.00 0.00 C ATOM 117 NH1 ARG A 9 8.711 2.322 6.087 1.00 0.00 N ATOM 118 NH2 ARG A 9 9.673 4.244 6.968 1.00 0.00 N ATOM 119 H ARG A 9 4.928 -0.397 2.218 1.00 0.00 H ATOM 120 HA ARG A 9 5.739 0.789 3.980 1.00 0.00 H ATOM 121 HB2 ARG A 9 7.098 1.908 2.273 1.00 0.00 H ATOM 122 HB3 ARG A 9 5.797 3.054 1.978 1.00 0.00 H ATOM 123 HG2 ARG A 9 6.314 4.298 3.770 1.00 0.00 H ATOM 124 HG3 ARG A 9 6.675 2.890 4.772 1.00 0.00 H ATOM 125 HD2 ARG A 9 8.807 2.655 3.423 1.00 0.00 H ATOM 126 HD3 ARG A 9 8.456 4.252 2.764 1.00 0.00 H ATOM 127 HE ARG A 9 9.225 5.149 4.709 1.00 0.00 H ATOM 128 HH11 ARG A 9 8.287 1.848 5.316 1.00 0.00 H ATOM 129 HH12 ARG A 9 8.836 1.839 6.955 1.00 0.00 H ATOM 130 HH21 ARG A 9 9.961 5.195 6.845 1.00 0.00 H ATOM 131 HH22 ARG A 9 9.814 3.795 7.850 1.00 0.00 H ATOM 132 N LYS A 10 3.465 1.480 4.881 1.00 0.00 N ATOM 133 CA LYS A 10 2.335 2.059 5.598 1.00 0.00 C ATOM 134 C LYS A 10 2.813 2.971 6.723 1.00 0.00 C ATOM 135 O LYS A 10 2.635 4.188 6.668 1.00 0.00 O ATOM 136 CB LYS A 10 1.444 0.953 6.167 1.00 0.00 C ATOM 137 CG LYS A 10 0.954 -0.032 5.119 1.00 0.00 C ATOM 138 CD LYS A 10 1.845 -1.261 5.049 1.00 0.00 C ATOM 139 CE LYS A 10 1.101 -2.456 4.475 1.00 0.00 C ATOM 140 NZ LYS A 10 0.446 -3.266 5.540 1.00 0.00 N ATOM 141 H LYS A 10 3.769 0.579 5.117 1.00 0.00 H ATOM 142 HA LYS A 10 1.761 2.645 4.895 1.00 0.00 H ATOM 143 HB2 LYS A 10 2.001 0.404 6.912 1.00 0.00 H ATOM 144 HB3 LYS A 10 0.583 1.405 6.636 1.00 0.00 H ATOM 145 HG2 LYS A 10 -0.050 -0.342 5.371 1.00 0.00 H ATOM 146 HG3 LYS A 10 0.950 0.455 4.155 1.00 0.00 H ATOM 147 HD2 LYS A 10 2.694 -1.043 4.418 1.00 0.00 H ATOM 148 HD3 LYS A 10 2.186 -1.504 6.044 1.00 0.00 H ATOM 149 HE2 LYS A 10 0.346 -2.100 3.791 1.00 0.00 H ATOM 150 HE3 LYS A 10 1.804 -3.080 3.942 1.00 0.00 H ATOM 151 HZ1 LYS A 10 1.128 -3.484 6.295 1.00 0.00 H ATOM 152 HZ2 LYS A 10 0.090 -4.159 5.142 1.00 0.00 H ATOM 153 HZ3 LYS A 10 -0.352 -2.740 5.949 1.00 0.00 H ATOM 154 N PHE A 11 3.421 2.375 7.745 1.00 0.00 N ATOM 155 CA PHE A 11 3.924 3.135 8.883 1.00 0.00 C ATOM 156 C PHE A 11 5.422 3.388 8.748 1.00 0.00 C ATOM 157 O PHE A 11 6.194 2.472 8.464 1.00 0.00 O ATOM 158 CB PHE A 11 3.637 2.389 10.187 1.00 0.00 C ATOM 159 CG PHE A 11 2.219 1.909 10.304 1.00 0.00 C ATOM 160 CD1 PHE A 11 1.165 2.808 10.261 1.00 0.00 C ATOM 161 CD2 PHE A 11 1.939 0.561 10.460 1.00 0.00 C ATOM 162 CE1 PHE A 11 -0.140 2.371 10.368 1.00 0.00 C ATOM 163 CE2 PHE A 11 0.635 0.118 10.569 1.00 0.00 C ATOM 164 CZ PHE A 11 -0.406 1.024 10.523 1.00 0.00 C ATOM 165 H PHE A 11 3.532 1.402 7.732 1.00 0.00 H ATOM 166 HA PHE A 11 3.410 4.084 8.901 1.00 0.00 H ATOM 167 HB2 PHE A 11 4.284 1.527 10.253 1.00 0.00 H ATOM 168 HB3 PHE A 11 3.835 3.046 11.020 1.00 0.00 H ATOM 169 HD1 PHE A 11 1.372 3.861 10.139 1.00 0.00 H ATOM 170 HD2 PHE A 11 2.754 -0.147 10.496 1.00 0.00 H ATOM 171 HE1 PHE A 11 -0.952 3.081 10.333 1.00 0.00 H ATOM 172 HE2 PHE A 11 0.431 -0.935 10.688 1.00 0.00 H ATOM 173 HZ PHE A 11 -1.426 0.680 10.608 1.00 0.00 H ATOM 174 N ALA A 12 5.826 4.637 8.955 1.00 0.00 N ATOM 175 CA ALA A 12 7.231 5.012 8.856 1.00 0.00 C ATOM 176 C ALA A 12 7.824 5.286 10.234 1.00 0.00 C ATOM 177 O ALA A 12 7.323 4.797 11.247 1.00 0.00 O ATOM 178 CB ALA A 12 7.390 6.231 7.960 1.00 0.00 C ATOM 179 H ALA A 12 5.163 5.323 9.178 1.00 0.00 H ATOM 180 HA ALA A 12 7.764 4.189 8.403 1.00 0.00 H ATOM 181 HB1 ALA A 12 6.618 6.225 7.204 1.00 0.00 H ATOM 182 HB2 ALA A 12 8.359 6.205 7.484 1.00 0.00 H ATOM 183 HB3 ALA A 12 7.306 7.129 8.554 1.00 0.00 H HETATM 184 N NH2 A 13 8.895 6.069 10.284 1.00 0.00 N TER 185 NH2 A 13 HETATM 186 RH RH3 A 14 -1.236 -2.211 -5.693 1.00 0.00 RH HETATM 187 RH RH3 A 15 -0.676 -0.492 -7.246 1.00 0.00 RH HETATM 188 C ACT A 16 1.351 -2.471 -6.874 1.00 0.00 C HETATM 189 O ACT A 16 0.581 -3.050 -6.046 1.00 0.00 O HETATM 190 OXT ACT A 16 1.117 -1.408 -7.530 1.00 0.00 O HETATM 191 CH3 ACT A 16 2.692 -3.123 -7.112 1.00 0.00 C HETATM 192 H1 ACT A 16 2.547 -4.161 -7.371 1.00 0.00 H HETATM 193 H2 ACT A 16 3.289 -3.056 -6.214 1.00 0.00 H HETATM 194 H3 ACT A 16 3.200 -2.618 -7.920 1.00 0.00 H HETATM 195 C ACT A 17 -1.996 -2.753 -8.390 1.00 0.00 C HETATM 196 O ACT A 17 -2.032 -3.271 -7.232 1.00 0.00 O HETATM 197 OXT ACT A 17 -1.498 -1.630 -8.717 1.00 0.00 O HETATM 198 CH3 ACT A 17 -2.603 -3.570 -9.507 1.00 0.00 C HETATM 199 H1 ACT A 17 -2.310 -4.603 -9.399 1.00 0.00 H HETATM 200 H2 ACT A 17 -2.257 -3.193 -10.458 1.00 0.00 H HETATM 201 H3 ACT A 17 -3.681 -3.495 -9.460 1.00 0.00 H ENDMDL MODEL 4 ATOM 1 N PRO A 1 -12.099 -6.142 -2.647 1.00 0.00 N ATOM 2 CA PRO A 1 -11.220 -6.663 -3.727 1.00 0.00 C ATOM 3 C PRO A 1 -10.143 -5.652 -4.117 1.00 0.00 C ATOM 4 O PRO A 1 -8.951 -5.894 -3.926 1.00 0.00 O ATOM 5 CB PRO A 1 -12.107 -6.985 -4.927 1.00 0.00 C ATOM 6 CG PRO A 1 -13.497 -6.771 -4.428 1.00 0.00 C ATOM 7 CD PRO A 1 -13.391 -5.810 -3.269 1.00 0.00 C ATOM 8 H2 PRO A 1 -11.534 -5.376 -2.244 1.00 0.00 H ATOM 9 H3 PRO A 1 -12.039 -6.912 -1.940 1.00 0.00 H ATOM 10 HA PRO A 1 -10.747 -7.569 -3.382 1.00 0.00 H ATOM 11 HB2 PRO A 1 -11.871 -6.318 -5.745 1.00 0.00 H ATOM 12 HB3 PRO A 1 -11.950 -8.009 -5.231 1.00 0.00 H ATOM 13 HG2 PRO A 1 -14.105 -6.346 -5.211 1.00 0.00 H ATOM 14 HG3 PRO A 1 -13.915 -7.710 -4.097 1.00 0.00 H ATOM 15 HD2 PRO A 1 -13.393 -4.790 -3.625 1.00 0.00 H ATOM 16 HD3 PRO A 1 -14.201 -5.968 -2.573 1.00 0.00 H ATOM 17 N PHE A 2 -10.572 -4.520 -4.665 1.00 0.00 N ATOM 18 CA PHE A 2 -9.648 -3.474 -5.082 1.00 0.00 C ATOM 19 C PHE A 2 -9.310 -2.540 -3.913 1.00 0.00 C ATOM 20 O PHE A 2 -9.310 -2.970 -2.760 1.00 0.00 O ATOM 21 CB PHE A 2 -10.237 -2.696 -6.263 1.00 0.00 C ATOM 22 CG PHE A 2 -9.330 -2.668 -7.456 1.00 0.00 C ATOM 23 CD1 PHE A 2 -9.154 -3.803 -8.225 1.00 0.00 C ATOM 24 CD2 PHE A 2 -8.653 -1.512 -7.806 1.00 0.00 C ATOM 25 CE1 PHE A 2 -8.318 -3.789 -9.325 1.00 0.00 C ATOM 26 CE2 PHE A 2 -7.815 -1.490 -8.903 1.00 0.00 C ATOM 27 CZ PHE A 2 -7.648 -2.630 -9.666 1.00 0.00 C ATOM 28 H PHE A 2 -11.533 -4.386 -4.792 1.00 0.00 H ATOM 29 HA PHE A 2 -8.737 -3.959 -5.402 1.00 0.00 H ATOM 30 HB2 PHE A 2 -11.164 -3.161 -6.564 1.00 0.00 H ATOM 31 HB3 PHE A 2 -10.433 -1.678 -5.964 1.00 0.00 H ATOM 32 HD1 PHE A 2 -9.678 -4.709 -7.955 1.00 0.00 H ATOM 33 HD2 PHE A 2 -8.780 -0.623 -7.211 1.00 0.00 H ATOM 34 HE1 PHE A 2 -8.188 -4.683 -9.917 1.00 0.00 H ATOM 35 HE2 PHE A 2 -7.294 -0.581 -9.166 1.00 0.00 H ATOM 36 HZ PHE A 2 -6.994 -2.615 -10.524 1.00 0.00 H ATOM 37 N ALA A 3 -8.998 -1.272 -4.221 1.00 0.00 N ATOM 38 CA ALA A 3 -8.627 -0.275 -3.210 1.00 0.00 C ATOM 39 C ALA A 3 -7.113 -0.153 -3.148 1.00 0.00 C ATOM 40 O ALA A 3 -6.474 -0.601 -2.196 1.00 0.00 O ATOM 41 CB ALA A 3 -9.196 -0.615 -1.837 1.00 0.00 C ATOM 42 H ALA A 3 -8.994 -1.000 -5.163 1.00 0.00 H ATOM 43 HA ALA A 3 -9.038 0.677 -3.520 1.00 0.00 H ATOM 44 HB1 ALA A 3 -10.195 -1.012 -1.948 1.00 0.00 H ATOM 45 HB2 ALA A 3 -9.229 0.277 -1.229 1.00 0.00 H ATOM 46 HB3 ALA A 3 -8.567 -1.353 -1.358 1.00 0.00 H ATOM 47 N ASP A 4 -6.547 0.431 -4.197 1.00 0.00 N ATOM 48 CA ASP A 4 -5.106 0.594 -4.311 1.00 0.00 C ATOM 49 C ASP A 4 -4.661 1.955 -3.758 1.00 0.00 C ATOM 50 O ASP A 4 -4.097 2.776 -4.480 1.00 0.00 O ATOM 51 CB ASP A 4 -4.730 0.422 -5.793 1.00 0.00 C ATOM 52 CG ASP A 4 -3.350 -0.164 -6.034 1.00 0.00 C ATOM 53 OD1 ASP A 4 -3.036 -1.202 -5.412 1.00 0.00 O ATOM 54 OD2 ASP A 4 -2.601 0.400 -6.861 1.00 0.00 O ATOM 55 H ASP A 4 -7.118 0.742 -4.930 1.00 0.00 H ATOM 56 HA ASP A 4 -4.657 -0.205 -3.739 1.00 0.00 H ATOM 57 HB2 ASP A 4 -5.444 -0.257 -6.233 1.00 0.00 H ATOM 58 HB3 ASP A 4 -4.815 1.372 -6.299 1.00 0.00 H ATOM 59 N SER A 5 -4.921 2.181 -2.462 1.00 0.00 N ATOM 60 CA SER A 5 -4.551 3.438 -1.795 1.00 0.00 C ATOM 61 C SER A 5 -3.249 3.271 -1.012 1.00 0.00 C ATOM 62 O SER A 5 -2.360 4.122 -1.074 1.00 0.00 O ATOM 63 CB SER A 5 -5.672 3.901 -0.862 1.00 0.00 C ATOM 64 OG SER A 5 -5.869 2.988 0.204 1.00 0.00 O ATOM 65 H SER A 5 -5.366 1.480 -1.940 1.00 0.00 H ATOM 66 HA SER A 5 -4.394 4.183 -2.559 1.00 0.00 H ATOM 67 HB2 SER A 5 -5.417 4.869 -0.454 1.00 0.00 H ATOM 68 HB3 SER A 5 -6.589 3.990 -1.425 1.00 0.00 H ATOM 69 HG SER A 5 -6.786 3.019 0.486 1.00 0.00 H ATOM 70 N ILE A 6 -3.117 2.133 -0.344 1.00 0.00 N ATOM 71 CA ILE A 6 -1.904 1.792 0.377 1.00 0.00 C ATOM 72 C ILE A 6 -1.197 0.782 -0.492 1.00 0.00 C ATOM 73 O ILE A 6 -1.681 -0.336 -0.673 1.00 0.00 O ATOM 74 CB ILE A 6 -2.184 1.199 1.772 1.00 0.00 C ATOM 75 CG1 ILE A 6 -3.190 2.070 2.528 1.00 0.00 C ATOM 76 CG2 ILE A 6 -0.890 1.068 2.561 1.00 0.00 C ATOM 77 CD1 ILE A 6 -3.556 1.525 3.891 1.00 0.00 C ATOM 78 H ILE A 6 -3.827 1.471 -0.399 1.00 0.00 H ATOM 79 HA ILE A 6 -1.287 2.676 0.463 1.00 0.00 H ATOM 80 HB ILE A 6 -2.599 0.211 1.642 1.00 0.00 H ATOM 81 HG12 ILE A 6 -2.772 3.055 2.666 1.00 0.00 H ATOM 82 HG13 ILE A 6 -4.097 2.147 1.946 1.00 0.00 H ATOM 83 HG21 ILE A 6 -1.039 0.388 3.387 1.00 0.00 H ATOM 84 HG22 ILE A 6 -0.600 2.037 2.941 1.00 0.00 H ATOM 85 HG23 ILE A 6 -0.112 0.687 1.916 1.00 0.00 H ATOM 86 HD11 ILE A 6 -2.777 1.771 4.597 1.00 0.00 H ATOM 87 HD12 ILE A 6 -3.663 0.452 3.833 1.00 0.00 H ATOM 88 HD13 ILE A 6 -4.488 1.963 4.216 1.00 0.00 H ATOM 89 N ASP A 7 -0.115 1.209 -1.118 1.00 0.00 N ATOM 90 CA ASP A 7 0.563 0.347 -2.072 1.00 0.00 C ATOM 91 C ASP A 7 2.004 0.025 -1.684 1.00 0.00 C ATOM 92 O ASP A 7 2.727 -0.631 -2.433 1.00 0.00 O ATOM 93 CB ASP A 7 0.457 1.062 -3.415 1.00 0.00 C ATOM 94 CG ASP A 7 0.015 0.202 -4.563 1.00 0.00 C ATOM 95 OD1 ASP A 7 -0.430 -0.932 -4.298 1.00 0.00 O ATOM 96 OD2 ASP A 7 0.058 0.685 -5.713 1.00 0.00 O ATOM 97 H ASP A 7 0.183 2.130 -0.991 1.00 0.00 H ATOM 98 HA ASP A 7 -0.048 -0.538 -2.094 1.00 0.00 H ATOM 99 HB2 ASP A 7 -0.331 1.797 -3.286 1.00 0.00 H ATOM 100 HB3 ASP A 7 1.352 1.619 -3.632 1.00 0.00 H ATOM 101 N GLY A 8 2.412 0.488 -0.509 1.00 0.00 N ATOM 102 CA GLY A 8 3.759 0.237 -0.040 1.00 0.00 C ATOM 103 C GLY A 8 3.849 0.192 1.470 1.00 0.00 C ATOM 104 O GLY A 8 3.562 1.177 2.150 1.00 0.00 O ATOM 105 H GLY A 8 1.791 1.002 0.046 1.00 0.00 H ATOM 106 HA2 GLY A 8 4.096 -0.709 -0.437 1.00 0.00 H ATOM 107 HA3 GLY A 8 4.410 1.016 -0.403 1.00 0.00 H ATOM 108 N ARG A 9 4.244 -0.960 1.989 1.00 0.00 N ATOM 109 CA ARG A 9 4.375 -1.154 3.422 1.00 0.00 C ATOM 110 C ARG A 9 5.354 -2.298 3.710 1.00 0.00 C ATOM 111 O ARG A 9 6.349 -2.453 3.002 1.00 0.00 O ATOM 112 CB ARG A 9 2.994 -1.422 4.036 1.00 0.00 C ATOM 113 CG ARG A 9 2.744 -0.649 5.323 1.00 0.00 C ATOM 114 CD ARG A 9 2.396 -1.574 6.478 1.00 0.00 C ATOM 115 NE ARG A 9 2.109 -0.832 7.704 1.00 0.00 N ATOM 116 CZ ARG A 9 3.045 -0.289 8.480 1.00 0.00 C ATOM 117 NH1 ARG A 9 4.334 -0.408 8.147 1.00 0.00 N ATOM 118 NH2 ARG A 9 2.682 0.369 9.583 1.00 0.00 N ATOM 119 H ARG A 9 4.453 -1.702 1.389 1.00 0.00 H ATOM 120 HA ARG A 9 4.775 -0.244 3.844 1.00 0.00 H ATOM 121 HB2 ARG A 9 2.237 -1.136 3.321 1.00 0.00 H ATOM 122 HB3 ARG A 9 2.897 -2.476 4.244 1.00 0.00 H ATOM 123 HG2 ARG A 9 3.635 -0.095 5.576 1.00 0.00 H ATOM 124 HG3 ARG A 9 1.925 0.037 5.164 1.00 0.00 H ATOM 125 HD2 ARG A 9 1.529 -2.156 6.209 1.00 0.00 H ATOM 126 HD3 ARG A 9 3.232 -2.234 6.657 1.00 0.00 H ATOM 127 HE ARG A 9 1.169 -0.734 7.964 1.00 0.00 H ATOM 128 HH11 ARG A 9 4.589 -0.904 7.315 1.00 0.00 H ATOM 129 HH12 ARG A 9 5.048 -0.005 8.719 1.00 0.00 H ATOM 130 HH21 ARG A 9 1.712 0.447 9.815 1.00 0.00 H ATOM 131 HH22 ARG A 9 3.369 0.783 10.180 1.00 0.00 H ATOM 132 N LYS A 10 5.075 -3.091 4.746 1.00 0.00 N ATOM 133 CA LYS A 10 5.930 -4.219 5.130 1.00 0.00 C ATOM 134 C LYS A 10 7.053 -3.766 6.062 1.00 0.00 C ATOM 135 O LYS A 10 7.359 -4.438 7.047 1.00 0.00 O ATOM 136 CB LYS A 10 6.520 -4.913 3.897 1.00 0.00 C ATOM 137 CG LYS A 10 6.706 -6.411 4.074 1.00 0.00 C ATOM 138 CD LYS A 10 6.633 -7.143 2.744 1.00 0.00 C ATOM 139 CE LYS A 10 7.655 -8.265 2.667 1.00 0.00 C ATOM 140 NZ LYS A 10 8.249 -8.385 1.306 1.00 0.00 N ATOM 141 H LYS A 10 4.275 -2.913 5.271 1.00 0.00 H ATOM 142 HA LYS A 10 5.311 -4.926 5.663 1.00 0.00 H ATOM 143 HB2 LYS A 10 5.860 -4.751 3.057 1.00 0.00 H ATOM 144 HB3 LYS A 10 7.482 -4.476 3.677 1.00 0.00 H ATOM 145 HG2 LYS A 10 7.673 -6.593 4.521 1.00 0.00 H ATOM 146 HG3 LYS A 10 5.931 -6.786 4.725 1.00 0.00 H ATOM 147 HD2 LYS A 10 5.645 -7.562 2.629 1.00 0.00 H ATOM 148 HD3 LYS A 10 6.822 -6.439 1.946 1.00 0.00 H ATOM 149 HE2 LYS A 10 8.444 -8.065 3.377 1.00 0.00 H ATOM 150 HE3 LYS A 10 7.170 -9.195 2.923 1.00 0.00 H ATOM 151 HZ1 LYS A 10 7.551 -8.785 0.647 1.00 0.00 H ATOM 152 HZ2 LYS A 10 9.081 -9.007 1.332 1.00 0.00 H ATOM 153 HZ3 LYS A 10 8.540 -7.448 0.960 1.00 0.00 H ATOM 154 N PHE A 11 7.661 -2.628 5.748 1.00 0.00 N ATOM 155 CA PHE A 11 8.746 -2.093 6.562 1.00 0.00 C ATOM 156 C PHE A 11 8.198 -1.265 7.720 1.00 0.00 C ATOM 157 O PHE A 11 8.144 -0.037 7.647 1.00 0.00 O ATOM 158 CB PHE A 11 9.683 -1.240 5.705 1.00 0.00 C ATOM 159 CG PHE A 11 10.864 -1.997 5.173 1.00 0.00 C ATOM 160 CD1 PHE A 11 11.728 -2.653 6.035 1.00 0.00 C ATOM 161 CD2 PHE A 11 11.112 -2.053 3.811 1.00 0.00 C ATOM 162 CE1 PHE A 11 12.816 -3.349 5.549 1.00 0.00 C ATOM 163 CE2 PHE A 11 12.199 -2.749 3.319 1.00 0.00 C ATOM 164 CZ PHE A 11 13.053 -3.398 4.189 1.00 0.00 C ATOM 165 H PHE A 11 7.375 -2.135 4.953 1.00 0.00 H ATOM 166 HA PHE A 11 9.301 -2.929 6.963 1.00 0.00 H ATOM 167 HB2 PHE A 11 9.133 -0.847 4.863 1.00 0.00 H ATOM 168 HB3 PHE A 11 10.056 -0.419 6.300 1.00 0.00 H ATOM 169 HD1 PHE A 11 11.543 -2.615 7.098 1.00 0.00 H ATOM 170 HD2 PHE A 11 10.445 -1.545 3.130 1.00 0.00 H ATOM 171 HE1 PHE A 11 13.483 -3.855 6.232 1.00 0.00 H ATOM 172 HE2 PHE A 11 12.381 -2.784 2.255 1.00 0.00 H ATOM 173 HZ PHE A 11 13.904 -3.941 3.806 1.00 0.00 H ATOM 174 N ALA A 12 7.794 -1.945 8.787 1.00 0.00 N ATOM 175 CA ALA A 12 7.250 -1.273 9.961 1.00 0.00 C ATOM 176 C ALA A 12 8.350 -0.935 10.960 1.00 0.00 C ATOM 177 O ALA A 12 8.513 -1.611 11.976 1.00 0.00 O ATOM 178 CB ALA A 12 6.185 -2.139 10.619 1.00 0.00 C ATOM 179 H ALA A 12 7.863 -2.923 8.785 1.00 0.00 H ATOM 180 HA ALA A 12 6.781 -0.355 9.633 1.00 0.00 H ATOM 181 HB1 ALA A 12 6.608 -3.101 10.868 1.00 0.00 H ATOM 182 HB2 ALA A 12 5.360 -2.275 9.936 1.00 0.00 H ATOM 183 HB3 ALA A 12 5.833 -1.656 11.517 1.00 0.00 H HETATM 184 N NH2 A 13 9.117 0.113 10.682 1.00 0.00 N TER 185 NH2 A 13 HETATM 186 RH RH3 A 14 -1.188 -2.149 -5.718 1.00 0.00 RH HETATM 187 RH RH3 A 15 -0.692 -0.429 -7.291 1.00 0.00 RH HETATM 188 C ACT A 16 1.386 -2.357 -6.936 1.00 0.00 C HETATM 189 O ACT A 16 0.642 -2.947 -6.092 1.00 0.00 O HETATM 190 OXT ACT A 16 1.117 -1.304 -7.596 1.00 0.00 O HETATM 191 CH3 ACT A 16 2.740 -2.978 -7.188 1.00 0.00 C HETATM 192 H1 ACT A 16 3.285 -3.041 -6.259 1.00 0.00 H HETATM 193 H2 ACT A 16 3.290 -2.368 -7.889 1.00 0.00 H HETATM 194 H3 ACT A 16 2.610 -3.968 -7.597 1.00 0.00 H HETATM 195 C ACT A 17 -1.974 -2.730 -8.400 1.00 0.00 C HETATM 196 O ACT A 17 -1.982 -3.240 -7.237 1.00 0.00 O HETATM 197 OXT ACT A 17 -1.509 -1.597 -8.742 1.00 0.00 O HETATM 198 CH3 ACT A 17 -2.579 -3.569 -9.501 1.00 0.00 C HETATM 199 H1 ACT A 17 -2.274 -3.178 -10.461 1.00 0.00 H HETATM 200 H2 ACT A 17 -3.658 -3.536 -9.425 1.00 0.00 H HETATM 201 H3 ACT A 17 -2.242 -4.589 -9.403 1.00 0.00 H ENDMDL MODEL 5 ATOM 1 N PRO A 1 -13.110 -6.260 -4.864 1.00 0.00 N ATOM 2 CA PRO A 1 -13.369 -4.905 -4.306 1.00 0.00 C ATOM 3 C PRO A 1 -12.349 -3.882 -4.803 1.00 0.00 C ATOM 4 O PRO A 1 -12.721 -2.823 -5.307 1.00 0.00 O ATOM 5 CB PRO A 1 -13.317 -5.017 -2.784 1.00 0.00 C ATOM 6 CG PRO A 1 -12.844 -6.409 -2.533 1.00 0.00 C ATOM 7 CD PRO A 1 -13.230 -7.215 -3.750 1.00 0.00 C ATOM 8 H2 PRO A 1 -12.188 -6.146 -5.318 1.00 0.00 H ATOM 9 H3 PRO A 1 -13.791 -6.292 -5.659 1.00 0.00 H ATOM 10 HA PRO A 1 -14.358 -4.593 -4.604 1.00 0.00 H ATOM 11 HB2 PRO A 1 -12.626 -4.285 -2.388 1.00 0.00 H ATOM 12 HB3 PRO A 1 -14.300 -4.854 -2.372 1.00 0.00 H ATOM 13 HG2 PRO A 1 -11.773 -6.415 -2.405 1.00 0.00 H ATOM 14 HG3 PRO A 1 -13.329 -6.806 -1.654 1.00 0.00 H ATOM 15 HD2 PRO A 1 -12.551 -8.044 -3.882 1.00 0.00 H ATOM 16 HD3 PRO A 1 -14.246 -7.571 -3.660 1.00 0.00 H ATOM 17 N PHE A 2 -11.064 -4.204 -4.623 1.00 0.00 N ATOM 18 CA PHE A 2 -9.958 -3.329 -5.017 1.00 0.00 C ATOM 19 C PHE A 2 -9.577 -2.384 -3.873 1.00 0.00 C ATOM 20 O PHE A 2 -9.750 -2.732 -2.706 1.00 0.00 O ATOM 21 CB PHE A 2 -10.302 -2.544 -6.293 1.00 0.00 C ATOM 22 CG PHE A 2 -9.245 -2.656 -7.355 1.00 0.00 C ATOM 23 CD1 PHE A 2 -8.895 -3.896 -7.861 1.00 0.00 C ATOM 24 CD2 PHE A 2 -8.605 -1.529 -7.848 1.00 0.00 C ATOM 25 CE1 PHE A 2 -7.927 -4.011 -8.842 1.00 0.00 C ATOM 26 CE2 PHE A 2 -7.638 -1.637 -8.827 1.00 0.00 C ATOM 27 CZ PHE A 2 -7.299 -2.880 -9.326 1.00 0.00 C ATOM 28 H PHE A 2 -10.852 -5.048 -4.179 1.00 0.00 H ATOM 29 HA PHE A 2 -9.113 -3.968 -5.238 1.00 0.00 H ATOM 30 HB2 PHE A 2 -11.220 -2.928 -6.710 1.00 0.00 H ATOM 31 HB3 PHE A 2 -10.429 -1.503 -6.051 1.00 0.00 H ATOM 32 HD1 PHE A 2 -9.386 -4.780 -7.482 1.00 0.00 H ATOM 33 HD2 PHE A 2 -8.865 -0.558 -7.460 1.00 0.00 H ATOM 34 HE1 PHE A 2 -7.664 -4.983 -9.229 1.00 0.00 H ATOM 35 HE2 PHE A 2 -7.149 -0.751 -9.202 1.00 0.00 H ATOM 36 HZ PHE A 2 -6.545 -2.966 -10.092 1.00 0.00 H ATOM 37 N ALA A 3 -9.047 -1.197 -4.214 1.00 0.00 N ATOM 38 CA ALA A 3 -8.623 -0.192 -3.227 1.00 0.00 C ATOM 39 C ALA A 3 -7.104 -0.117 -3.179 1.00 0.00 C ATOM 40 O ALA A 3 -6.471 -0.608 -2.243 1.00 0.00 O ATOM 41 CB ALA A 3 -9.184 -0.475 -1.836 1.00 0.00 C ATOM 42 H ALA A 3 -8.926 -0.992 -5.165 1.00 0.00 H ATOM 43 HA ALA A 3 -9.003 0.765 -3.553 1.00 0.00 H ATOM 44 HB1 ALA A 3 -9.059 0.399 -1.213 1.00 0.00 H ATOM 45 HB2 ALA A 3 -8.657 -1.308 -1.396 1.00 0.00 H ATOM 46 HB3 ALA A 3 -10.235 -0.713 -1.914 1.00 0.00 H ATOM 47 N ASP A 4 -6.530 0.481 -4.213 1.00 0.00 N ATOM 48 CA ASP A 4 -5.085 0.608 -4.329 1.00 0.00 C ATOM 49 C ASP A 4 -4.608 1.956 -3.769 1.00 0.00 C ATOM 50 O ASP A 4 -3.991 2.751 -4.477 1.00 0.00 O ATOM 51 CB ASP A 4 -4.712 0.437 -5.810 1.00 0.00 C ATOM 52 CG ASP A 4 -3.334 -0.155 -6.050 1.00 0.00 C ATOM 53 OD1 ASP A 4 -3.039 -1.218 -5.461 1.00 0.00 O ATOM 54 OD2 ASP A 4 -2.565 0.431 -6.843 1.00 0.00 O ATOM 55 H ASP A 4 -7.096 0.830 -4.933 1.00 0.00 H ATOM 56 HA ASP A 4 -4.651 -0.201 -3.761 1.00 0.00 H ATOM 57 HB2 ASP A 4 -5.429 -0.238 -6.252 1.00 0.00 H ATOM 58 HB3 ASP A 4 -4.789 1.387 -6.315 1.00 0.00 H ATOM 59 N SER A 5 -4.900 2.197 -2.483 1.00 0.00 N ATOM 60 CA SER A 5 -4.504 3.441 -1.808 1.00 0.00 C ATOM 61 C SER A 5 -3.226 3.230 -0.996 1.00 0.00 C ATOM 62 O SER A 5 -2.311 4.052 -1.031 1.00 0.00 O ATOM 63 CB SER A 5 -5.629 3.944 -0.902 1.00 0.00 C ATOM 64 OG SER A 5 -5.883 3.040 0.159 1.00 0.00 O ATOM 65 H SER A 5 -5.385 1.516 -1.973 1.00 0.00 H ATOM 66 HA SER A 5 -4.302 4.180 -2.570 1.00 0.00 H ATOM 67 HB2 SER A 5 -5.352 4.903 -0.490 1.00 0.00 H ATOM 68 HB3 SER A 5 -6.530 4.064 -1.486 1.00 0.00 H ATOM 69 HG SER A 5 -5.490 3.377 0.967 1.00 0.00 H ATOM 70 N ILE A 6 -3.145 2.083 -0.334 1.00 0.00 N ATOM 71 CA ILE A 6 -1.960 1.699 0.410 1.00 0.00 C ATOM 72 C ILE A 6 -1.263 0.681 -0.457 1.00 0.00 C ATOM 73 O ILE A 6 -1.772 -0.422 -0.660 1.00 0.00 O ATOM 74 CB ILE A 6 -2.288 1.096 1.790 1.00 0.00 C ATOM 75 CG1 ILE A 6 -3.344 1.942 2.504 1.00 0.00 C ATOM 76 CG2 ILE A 6 -1.027 0.988 2.634 1.00 0.00 C ATOM 77 CD1 ILE A 6 -4.753 1.414 2.341 1.00 0.00 C ATOM 78 H ILE A 6 -3.873 1.443 -0.413 1.00 0.00 H ATOM 79 HA ILE A 6 -1.320 2.564 0.522 1.00 0.00 H ATOM 80 HB ILE A 6 -2.677 0.101 1.640 1.00 0.00 H ATOM 81 HG12 ILE A 6 -3.121 1.971 3.559 1.00 0.00 H ATOM 82 HG13 ILE A 6 -3.318 2.948 2.107 1.00 0.00 H ATOM 83 HG21 ILE A 6 -0.555 1.957 2.702 1.00 0.00 H ATOM 84 HG22 ILE A 6 -0.346 0.286 2.176 1.00 0.00 H ATOM 85 HG23 ILE A 6 -1.285 0.644 3.625 1.00 0.00 H ATOM 86 HD11 ILE A 6 -4.832 0.448 2.817 1.00 0.00 H ATOM 87 HD12 ILE A 6 -4.983 1.318 1.291 1.00 0.00 H ATOM 88 HD13 ILE A 6 -5.449 2.100 2.801 1.00 0.00 H ATOM 89 N ASP A 7 -0.159 1.087 -1.058 1.00 0.00 N ATOM 90 CA ASP A 7 0.515 0.219 -2.010 1.00 0.00 C ATOM 91 C ASP A 7 1.938 -0.148 -1.594 1.00 0.00 C ATOM 92 O ASP A 7 2.655 -0.826 -2.331 1.00 0.00 O ATOM 93 CB ASP A 7 0.457 0.957 -3.345 1.00 0.00 C ATOM 94 CG ASP A 7 0.018 0.126 -4.517 1.00 0.00 C ATOM 95 OD1 ASP A 7 -0.435 -1.012 -4.284 1.00 0.00 O ATOM 96 OD2 ASP A 7 0.071 0.640 -5.653 1.00 0.00 O ATOM 97 H ASP A 7 0.161 1.998 -0.915 1.00 0.00 H ATOM 98 HA ASP A 7 -0.119 -0.648 -2.057 1.00 0.00 H ATOM 99 HB2 ASP A 7 -0.313 1.711 -3.224 1.00 0.00 H ATOM 100 HB3 ASP A 7 1.371 1.491 -3.535 1.00 0.00 H ATOM 101 N GLY A 8 2.337 0.299 -0.410 1.00 0.00 N ATOM 102 CA GLY A 8 3.669 0.008 0.084 1.00 0.00 C ATOM 103 C GLY A 8 4.147 1.024 1.102 1.00 0.00 C ATOM 104 O GLY A 8 4.182 2.223 0.824 1.00 0.00 O ATOM 105 H GLY A 8 1.721 0.833 0.133 1.00 0.00 H ATOM 106 HA2 GLY A 8 3.664 -0.970 0.545 1.00 0.00 H ATOM 107 HA3 GLY A 8 4.357 -0.003 -0.747 1.00 0.00 H ATOM 108 N ARG A 9 4.517 0.543 2.284 1.00 0.00 N ATOM 109 CA ARG A 9 4.997 1.414 3.352 1.00 0.00 C ATOM 110 C ARG A 9 5.288 0.611 4.617 1.00 0.00 C ATOM 111 O ARG A 9 4.416 -0.088 5.135 1.00 0.00 O ATOM 112 CB ARG A 9 3.969 2.509 3.652 1.00 0.00 C ATOM 113 CG ARG A 9 4.417 3.896 3.217 1.00 0.00 C ATOM 114 CD ARG A 9 4.102 4.944 4.273 1.00 0.00 C ATOM 115 NE ARG A 9 2.670 5.031 4.551 1.00 0.00 N ATOM 116 CZ ARG A 9 2.071 4.453 5.593 1.00 0.00 C ATOM 117 NH1 ARG A 9 2.786 3.734 6.465 1.00 0.00 N ATOM 118 NH2 ARG A 9 0.753 4.600 5.749 1.00 0.00 N ATOM 119 H ARG A 9 4.466 -0.423 2.441 1.00 0.00 H ATOM 120 HA ARG A 9 5.912 1.876 3.015 1.00 0.00 H ATOM 121 HB2 ARG A 9 3.049 2.274 3.136 1.00 0.00 H ATOM 122 HB3 ARG A 9 3.780 2.531 4.714 1.00 0.00 H ATOM 123 HG2 ARG A 9 5.482 3.882 3.046 1.00 0.00 H ATOM 124 HG3 ARG A 9 3.906 4.157 2.301 1.00 0.00 H ATOM 125 HD2 ARG A 9 4.625 4.690 5.181 1.00 0.00 H ATOM 126 HD3 ARG A 9 4.449 5.904 3.919 1.00 0.00 H ATOM 127 HE ARG A 9 2.122 5.551 3.927 1.00 0.00 H ATOM 128 HH11 ARG A 9 3.771 3.631 6.337 1.00 0.00 H ATOM 129 HH12 ARG A 9 2.344 3.297 7.249 1.00 0.00 H ATOM 130 HH21 ARG A 9 0.233 5.140 5.086 1.00 0.00 H ATOM 131 HH22 ARG A 9 0.279 4.176 6.522 1.00 0.00 H ATOM 132 N LYS A 10 6.518 0.716 5.109 1.00 0.00 N ATOM 133 CA LYS A 10 6.923 0.000 6.312 1.00 0.00 C ATOM 134 C LYS A 10 6.498 0.759 7.565 1.00 0.00 C ATOM 135 O LYS A 10 5.662 0.287 8.336 1.00 0.00 O ATOM 136 CB LYS A 10 8.438 -0.212 6.320 1.00 0.00 C ATOM 137 CG LYS A 10 8.939 -1.063 5.165 1.00 0.00 C ATOM 138 CD LYS A 10 10.419 -0.833 4.905 1.00 0.00 C ATOM 139 CE LYS A 10 10.779 -1.101 3.452 1.00 0.00 C ATOM 140 NZ LYS A 10 11.501 -2.394 3.288 1.00 0.00 N ATOM 141 H LYS A 10 7.168 1.288 4.652 1.00 0.00 H ATOM 142 HA LYS A 10 6.434 -0.963 6.306 1.00 0.00 H ATOM 143 HB2 LYS A 10 8.924 0.751 6.267 1.00 0.00 H ATOM 144 HB3 LYS A 10 8.718 -0.697 7.244 1.00 0.00 H ATOM 145 HG2 LYS A 10 8.784 -2.104 5.404 1.00 0.00 H ATOM 146 HG3 LYS A 10 8.382 -0.809 4.275 1.00 0.00 H ATOM 147 HD2 LYS A 10 10.660 0.192 5.140 1.00 0.00 H ATOM 148 HD3 LYS A 10 10.993 -1.495 5.537 1.00 0.00 H ATOM 149 HE2 LYS A 10 9.871 -1.131 2.867 1.00 0.00 H ATOM 150 HE3 LYS A 10 11.409 -0.300 3.096 1.00 0.00 H ATOM 151 HZ1 LYS A 10 11.217 -2.852 2.399 1.00 0.00 H ATOM 152 HZ2 LYS A 10 11.278 -3.031 4.080 1.00 0.00 H ATOM 153 HZ3 LYS A 10 12.528 -2.230 3.268 1.00 0.00 H ATOM 154 N PHE A 11 7.078 1.939 7.761 1.00 0.00 N ATOM 155 CA PHE A 11 6.759 2.764 8.921 1.00 0.00 C ATOM 156 C PHE A 11 5.514 3.606 8.662 1.00 0.00 C ATOM 157 O PHE A 11 5.157 3.867 7.513 1.00 0.00 O ATOM 158 CB PHE A 11 7.942 3.671 9.268 1.00 0.00 C ATOM 159 CG PHE A 11 8.784 3.152 10.397 1.00 0.00 C ATOM 160 CD1 PHE A 11 9.425 1.929 10.295 1.00 0.00 C ATOM 161 CD2 PHE A 11 8.934 3.889 11.562 1.00 0.00 C ATOM 162 CE1 PHE A 11 10.202 1.449 11.333 1.00 0.00 C ATOM 163 CE2 PHE A 11 9.709 3.415 12.602 1.00 0.00 C ATOM 164 CZ PHE A 11 10.344 2.193 12.488 1.00 0.00 C ATOM 165 H PHE A 11 7.737 2.261 7.112 1.00 0.00 H ATOM 166 HA PHE A 11 6.566 2.104 9.754 1.00 0.00 H ATOM 167 HB2 PHE A 11 8.577 3.769 8.400 1.00 0.00 H ATOM 168 HB3 PHE A 11 7.570 4.646 9.549 1.00 0.00 H ATOM 169 HD1 PHE A 11 9.314 1.347 9.392 1.00 0.00 H ATOM 170 HD2 PHE A 11 8.438 4.845 11.652 1.00 0.00 H ATOM 171 HE1 PHE A 11 10.697 0.494 11.240 1.00 0.00 H ATOM 172 HE2 PHE A 11 9.819 3.999 13.505 1.00 0.00 H ATOM 173 HZ PHE A 11 10.950 1.821 13.300 1.00 0.00 H ATOM 174 N ALA A 12 4.856 4.027 9.737 1.00 0.00 N ATOM 175 CA ALA A 12 3.651 4.840 9.626 1.00 0.00 C ATOM 176 C ALA A 12 3.976 6.237 9.108 1.00 0.00 C ATOM 177 O ALA A 12 4.163 6.440 7.908 1.00 0.00 O ATOM 178 CB ALA A 12 2.945 4.924 10.970 1.00 0.00 C ATOM 179 H ALA A 12 5.190 3.786 10.626 1.00 0.00 H ATOM 180 HA ALA A 12 2.985 4.354 8.926 1.00 0.00 H ATOM 181 HB1 ALA A 12 2.982 3.960 11.458 1.00 0.00 H ATOM 182 HB2 ALA A 12 1.916 5.213 10.821 1.00 0.00 H ATOM 183 HB3 ALA A 12 3.439 5.659 11.590 1.00 0.00 H HETATM 184 N NH2 A 13 4.046 7.211 10.008 1.00 0.00 N TER 185 NH2 A 13 HETATM 186 RH RH3 A 14 -1.192 -2.169 -5.775 1.00 0.00 RH HETATM 187 RH RH3 A 15 -0.659 -0.396 -7.275 1.00 0.00 RH HETATM 188 C ACT A 16 1.398 -2.354 -6.965 1.00 0.00 C HETATM 189 O ACT A 16 0.638 -2.969 -6.155 1.00 0.00 O HETATM 190 OXT ACT A 16 1.147 -1.274 -7.587 1.00 0.00 O HETATM 191 CH3 ACT A 16 2.750 -2.977 -7.222 1.00 0.00 C HETATM 192 H1 ACT A 16 2.914 -3.782 -6.522 1.00 0.00 H HETATM 193 H2 ACT A 16 3.520 -2.230 -7.100 1.00 0.00 H HETATM 194 H3 ACT A 16 2.781 -3.365 -8.229 1.00 0.00 H HETATM 195 C ACT A 17 -1.944 -2.639 -8.489 1.00 0.00 C HETATM 196 O ACT A 17 -1.973 -3.193 -7.346 1.00 0.00 O HETATM 197 OXT ACT A 17 -1.465 -1.499 -8.780 1.00 0.00 O HETATM 198 CH3 ACT A 17 -2.540 -3.428 -9.629 1.00 0.00 C HETATM 199 H1 ACT A 17 -2.301 -4.474 -9.508 1.00 0.00 H HETATM 200 H2 ACT A 17 -2.136 -3.072 -10.564 1.00 0.00 H HETATM 201 H3 ACT A 17 -3.615 -3.302 -9.628 1.00 0.00 H ENDMDL MODEL 6 ATOM 1 N PRO A 1 -10.806 -8.128 -4.258 1.00 0.00 N ATOM 2 CA PRO A 1 -11.199 -6.737 -3.904 1.00 0.00 C ATOM 3 C PRO A 1 -10.103 -5.731 -4.252 1.00 0.00 C ATOM 4 O PRO A 1 -8.922 -5.976 -4.007 1.00 0.00 O ATOM 5 CB PRO A 1 -11.493 -6.709 -2.406 1.00 0.00 C ATOM 6 CG PRO A 1 -11.091 -8.062 -1.926 1.00 0.00 C ATOM 7 CD PRO A 1 -11.180 -8.983 -3.119 1.00 0.00 C ATOM 8 H2 PRO A 1 -9.804 -8.028 -4.490 1.00 0.00 H ATOM 9 H3 PRO A 1 -11.280 -8.249 -5.183 1.00 0.00 H ATOM 10 HA PRO A 1 -12.097 -6.483 -4.446 1.00 0.00 H ATOM 11 HB2 PRO A 1 -10.911 -5.929 -1.934 1.00 0.00 H ATOM 12 HB3 PRO A 1 -12.545 -6.529 -2.245 1.00 0.00 H ATOM 13 HG2 PRO A 1 -10.078 -8.031 -1.552 1.00 0.00 H ATOM 14 HG3 PRO A 1 -11.767 -8.391 -1.149 1.00 0.00 H ATOM 15 HD2 PRO A 1 -10.487 -9.804 -3.013 1.00 0.00 H ATOM 16 HD3 PRO A 1 -12.188 -9.352 -3.234 1.00 0.00 H ATOM 17 N PHE A 2 -10.504 -4.600 -4.824 1.00 0.00 N ATOM 18 CA PHE A 2 -9.559 -3.559 -5.204 1.00 0.00 C ATOM 19 C PHE A 2 -9.275 -2.617 -4.028 1.00 0.00 C ATOM 20 O PHE A 2 -9.339 -3.037 -2.873 1.00 0.00 O ATOM 21 CB PHE A 2 -10.092 -2.788 -6.415 1.00 0.00 C ATOM 22 CG PHE A 2 -9.132 -2.769 -7.567 1.00 0.00 C ATOM 23 CD1 PHE A 2 -8.902 -3.919 -8.302 1.00 0.00 C ATOM 24 CD2 PHE A 2 -8.460 -1.609 -7.913 1.00 0.00 C ATOM 25 CE1 PHE A 2 -8.019 -3.913 -9.364 1.00 0.00 C ATOM 26 CE2 PHE A 2 -7.576 -1.595 -8.974 1.00 0.00 C ATOM 27 CZ PHE A 2 -7.355 -2.748 -9.701 1.00 0.00 C ATOM 28 H PHE A 2 -11.458 -4.463 -4.993 1.00 0.00 H ATOM 29 HA PHE A 2 -8.635 -4.048 -5.480 1.00 0.00 H ATOM 30 HB2 PHE A 2 -11.006 -3.252 -6.756 1.00 0.00 H ATOM 31 HB3 PHE A 2 -10.298 -1.768 -6.132 1.00 0.00 H ATOM 32 HD1 PHE A 2 -9.422 -4.827 -8.035 1.00 0.00 H ATOM 33 HD2 PHE A 2 -8.630 -0.709 -7.346 1.00 0.00 H ATOM 34 HE1 PHE A 2 -7.848 -4.816 -9.929 1.00 0.00 H ATOM 35 HE2 PHE A 2 -7.060 -0.684 -9.233 1.00 0.00 H ATOM 36 HZ PHE A 2 -6.664 -2.740 -10.530 1.00 0.00 H ATOM 37 N ALA A 3 -8.936 -1.354 -4.331 1.00 0.00 N ATOM 38 CA ALA A 3 -8.611 -0.349 -3.312 1.00 0.00 C ATOM 39 C ALA A 3 -7.101 -0.200 -3.206 1.00 0.00 C ATOM 40 O ALA A 3 -6.483 -0.631 -2.232 1.00 0.00 O ATOM 41 CB ALA A 3 -9.213 -0.693 -1.953 1.00 0.00 C ATOM 42 H ALA A 3 -8.881 -1.092 -5.274 1.00 0.00 H ATOM 43 HA ALA A 3 -9.028 0.596 -3.637 1.00 0.00 H ATOM 44 HB1 ALA A 3 -8.583 -1.414 -1.453 1.00 0.00 H ATOM 45 HB2 ALA A 3 -10.198 -1.113 -2.093 1.00 0.00 H ATOM 46 HB3 ALA A 3 -9.284 0.201 -1.353 1.00 0.00 H ATOM 47 N ASP A 4 -6.515 0.389 -4.240 1.00 0.00 N ATOM 48 CA ASP A 4 -5.075 0.577 -4.311 1.00 0.00 C ATOM 49 C ASP A 4 -4.672 1.950 -3.749 1.00 0.00 C ATOM 50 O ASP A 4 -4.111 2.783 -4.461 1.00 0.00 O ATOM 51 CB ASP A 4 -4.651 0.409 -5.780 1.00 0.00 C ATOM 52 CG ASP A 4 -3.251 -0.149 -5.976 1.00 0.00 C ATOM 53 OD1 ASP A 4 -2.929 -1.170 -5.331 1.00 0.00 O ATOM 54 OD2 ASP A 4 -2.494 0.422 -6.791 1.00 0.00 O ATOM 55 H ASP A 4 -7.070 0.687 -4.992 1.00 0.00 H ATOM 56 HA ASP A 4 -4.628 -0.210 -3.723 1.00 0.00 H ATOM 57 HB2 ASP A 4 -5.336 -0.287 -6.240 1.00 0.00 H ATOM 58 HB3 ASP A 4 -4.740 1.354 -6.293 1.00 0.00 H ATOM 59 N SER A 5 -4.968 2.171 -2.462 1.00 0.00 N ATOM 60 CA SER A 5 -4.643 3.437 -1.788 1.00 0.00 C ATOM 61 C SER A 5 -3.360 3.303 -0.968 1.00 0.00 C ATOM 62 O SER A 5 -2.493 4.176 -1.004 1.00 0.00 O ATOM 63 CB SER A 5 -5.800 3.878 -0.888 1.00 0.00 C ATOM 64 OG SER A 5 -6.007 2.964 0.175 1.00 0.00 O ATOM 65 H SER A 5 -5.409 1.461 -1.949 1.00 0.00 H ATOM 66 HA SER A 5 -4.482 4.183 -2.551 1.00 0.00 H ATOM 67 HB2 SER A 5 -5.580 4.852 -0.479 1.00 0.00 H ATOM 68 HB3 SER A 5 -6.703 3.943 -1.478 1.00 0.00 H ATOM 69 HG SER A 5 -6.749 3.255 0.709 1.00 0.00 H ATOM 70 N ILE A 6 -3.218 2.168 -0.295 1.00 0.00 N ATOM 71 CA ILE A 6 -2.017 1.861 0.460 1.00 0.00 C ATOM 72 C ILE A 6 -1.254 0.874 -0.387 1.00 0.00 C ATOM 73 O ILE A 6 -1.691 -0.261 -0.575 1.00 0.00 O ATOM 74 CB ILE A 6 -2.321 1.258 1.847 1.00 0.00 C ATOM 75 CG1 ILE A 6 -3.298 2.150 2.613 1.00 0.00 C ATOM 76 CG2 ILE A 6 -1.035 1.071 2.636 1.00 0.00 C ATOM 77 CD1 ILE A 6 -4.320 1.376 3.416 1.00 0.00 C ATOM 78 H ILE A 6 -3.908 1.486 -0.371 1.00 0.00 H ATOM 79 HA ILE A 6 -1.429 2.762 0.566 1.00 0.00 H ATOM 80 HB ILE A 6 -2.769 0.287 1.701 1.00 0.00 H ATOM 81 HG12 ILE A 6 -2.745 2.776 3.296 1.00 0.00 H ATOM 82 HG13 ILE A 6 -3.831 2.775 1.910 1.00 0.00 H ATOM 83 HG21 ILE A 6 -0.628 0.091 2.436 1.00 0.00 H ATOM 84 HG22 ILE A 6 -1.243 1.166 3.692 1.00 0.00 H ATOM 85 HG23 ILE A 6 -0.319 1.825 2.342 1.00 0.00 H ATOM 86 HD11 ILE A 6 -3.861 0.488 3.823 1.00 0.00 H ATOM 87 HD12 ILE A 6 -5.144 1.096 2.776 1.00 0.00 H ATOM 88 HD13 ILE A 6 -4.687 1.994 4.224 1.00 0.00 H ATOM 89 N ASP A 7 -0.172 1.337 -0.988 1.00 0.00 N ATOM 90 CA ASP A 7 0.561 0.500 -1.921 1.00 0.00 C ATOM 91 C ASP A 7 2.008 0.249 -1.504 1.00 0.00 C ATOM 92 O ASP A 7 2.786 -0.345 -2.250 1.00 0.00 O ATOM 93 CB ASP A 7 0.448 1.203 -3.269 1.00 0.00 C ATOM 94 CG ASP A 7 0.061 0.321 -4.421 1.00 0.00 C ATOM 95 OD1 ASP A 7 -0.364 -0.820 -4.156 1.00 0.00 O ATOM 96 OD2 ASP A 7 0.126 0.792 -5.576 1.00 0.00 O ATOM 97 H ASP A 7 0.088 2.270 -0.857 1.00 0.00 H ATOM 98 HA ASP A 7 -0.009 -0.412 -1.950 1.00 0.00 H ATOM 99 HB2 ASP A 7 -0.371 1.904 -3.158 1.00 0.00 H ATOM 100 HB3 ASP A 7 1.322 1.797 -3.475 1.00 0.00 H ATOM 101 N GLY A 8 2.362 0.712 -0.309 1.00 0.00 N ATOM 102 CA GLY A 8 3.714 0.534 0.191 1.00 0.00 C ATOM 103 C GLY A 8 4.104 -0.925 0.318 1.00 0.00 C ATOM 104 O GLY A 8 4.036 -1.683 -0.649 1.00 0.00 O ATOM 105 H GLY A 8 1.698 1.182 0.237 1.00 0.00 H ATOM 106 HA2 GLY A 8 4.402 1.021 -0.483 1.00 0.00 H ATOM 107 HA3 GLY A 8 3.789 1.001 1.161 1.00 0.00 H ATOM 108 N ARG A 9 4.518 -1.320 1.517 1.00 0.00 N ATOM 109 CA ARG A 9 4.924 -2.692 1.771 1.00 0.00 C ATOM 110 C ARG A 9 4.660 -3.056 3.236 1.00 0.00 C ATOM 111 O ARG A 9 3.679 -2.601 3.824 1.00 0.00 O ATOM 112 CB ARG A 9 6.406 -2.875 1.411 1.00 0.00 C ATOM 113 CG ARG A 9 6.704 -4.190 0.701 1.00 0.00 C ATOM 114 CD ARG A 9 7.650 -5.076 1.500 1.00 0.00 C ATOM 115 NE ARG A 9 8.695 -4.308 2.177 1.00 0.00 N ATOM 116 CZ ARG A 9 9.781 -3.837 1.569 1.00 0.00 C ATOM 117 NH1 ARG A 9 9.960 -4.059 0.264 1.00 0.00 N ATOM 118 NH2 ARG A 9 10.678 -3.144 2.275 1.00 0.00 N ATOM 119 H ARG A 9 4.554 -0.671 2.250 1.00 0.00 H ATOM 120 HA ARG A 9 4.327 -3.335 1.141 1.00 0.00 H ATOM 121 HB2 ARG A 9 6.708 -2.067 0.759 1.00 0.00 H ATOM 122 HB3 ARG A 9 6.994 -2.833 2.315 1.00 0.00 H ATOM 123 HG2 ARG A 9 5.776 -4.721 0.549 1.00 0.00 H ATOM 124 HG3 ARG A 9 7.155 -3.973 -0.257 1.00 0.00 H ATOM 125 HD2 ARG A 9 7.078 -5.615 2.241 1.00 0.00 H ATOM 126 HD3 ARG A 9 8.114 -5.782 0.827 1.00 0.00 H ATOM 127 HE ARG A 9 8.581 -4.136 3.134 1.00 0.00 H ATOM 128 HH11 ARG A 9 9.277 -4.580 -0.249 1.00 0.00 H ATOM 129 HH12 ARG A 9 10.771 -3.711 -0.206 1.00 0.00 H ATOM 130 HH21 ARG A 9 10.525 -2.988 3.251 1.00 0.00 H ATOM 131 HH22 ARG A 9 11.501 -2.781 1.838 1.00 0.00 H ATOM 132 N LYS A 10 5.529 -3.874 3.820 1.00 0.00 N ATOM 133 CA LYS A 10 5.378 -4.289 5.209 1.00 0.00 C ATOM 134 C LYS A 10 6.557 -5.153 5.643 1.00 0.00 C ATOM 135 O LYS A 10 7.227 -4.855 6.631 1.00 0.00 O ATOM 136 CB LYS A 10 4.069 -5.060 5.394 1.00 0.00 C ATOM 137 CG LYS A 10 3.506 -4.974 6.803 1.00 0.00 C ATOM 138 CD LYS A 10 2.129 -5.611 6.891 1.00 0.00 C ATOM 139 CE LYS A 10 1.572 -5.539 8.304 1.00 0.00 C ATOM 140 NZ LYS A 10 1.872 -6.773 9.082 1.00 0.00 N ATOM 141 H LYS A 10 6.287 -4.204 3.306 1.00 0.00 H ATOM 142 HA LYS A 10 5.352 -3.400 5.820 1.00 0.00 H ATOM 143 HB2 LYS A 10 3.332 -4.665 4.710 1.00 0.00 H ATOM 144 HB3 LYS A 10 4.242 -6.100 5.161 1.00 0.00 H ATOM 145 HG2 LYS A 10 4.173 -5.488 7.478 1.00 0.00 H ATOM 146 HG3 LYS A 10 3.432 -3.935 7.087 1.00 0.00 H ATOM 147 HD2 LYS A 10 1.457 -5.089 6.225 1.00 0.00 H ATOM 148 HD3 LYS A 10 2.201 -6.646 6.594 1.00 0.00 H ATOM 149 HE2 LYS A 10 2.011 -4.691 8.809 1.00 0.00 H ATOM 150 HE3 LYS A 10 0.501 -5.409 8.249 1.00 0.00 H ATOM 151 HZ1 LYS A 10 1.080 -6.994 9.719 1.00 0.00 H ATOM 152 HZ2 LYS A 10 2.732 -6.638 9.650 1.00 0.00 H ATOM 153 HZ3 LYS A 10 2.019 -7.575 8.437 1.00 0.00 H ATOM 154 N PHE A 11 6.805 -6.224 4.896 1.00 0.00 N ATOM 155 CA PHE A 11 7.899 -7.132 5.195 1.00 0.00 C ATOM 156 C PHE A 11 9.095 -6.848 4.285 1.00 0.00 C ATOM 157 O PHE A 11 9.046 -7.103 3.082 1.00 0.00 O ATOM 158 CB PHE A 11 7.418 -8.577 5.035 1.00 0.00 C ATOM 159 CG PHE A 11 8.381 -9.462 4.308 1.00 0.00 C ATOM 160 CD1 PHE A 11 9.594 -9.788 4.879 1.00 0.00 C ATOM 161 CD2 PHE A 11 8.068 -9.960 3.059 1.00 0.00 C ATOM 162 CE1 PHE A 11 10.489 -10.604 4.214 1.00 0.00 C ATOM 163 CE2 PHE A 11 8.956 -10.777 2.384 1.00 0.00 C ATOM 164 CZ PHE A 11 10.169 -11.101 2.964 1.00 0.00 C ATOM 165 H PHE A 11 6.234 -6.410 4.118 1.00 0.00 H ATOM 166 HA PHE A 11 8.200 -6.977 6.220 1.00 0.00 H ATOM 167 HB2 PHE A 11 7.253 -9.003 6.013 1.00 0.00 H ATOM 168 HB3 PHE A 11 6.486 -8.578 4.488 1.00 0.00 H ATOM 169 HD1 PHE A 11 9.838 -9.395 5.856 1.00 0.00 H ATOM 170 HD2 PHE A 11 7.120 -9.699 2.609 1.00 0.00 H ATOM 171 HE1 PHE A 11 11.436 -10.854 4.669 1.00 0.00 H ATOM 172 HE2 PHE A 11 8.703 -11.162 1.407 1.00 0.00 H ATOM 173 HZ PHE A 11 10.866 -11.739 2.440 1.00 0.00 H ATOM 174 N ALA A 12 10.165 -6.318 4.869 1.00 0.00 N ATOM 175 CA ALA A 12 11.368 -6.000 4.111 1.00 0.00 C ATOM 176 C ALA A 12 12.438 -7.070 4.305 1.00 0.00 C ATOM 177 O ALA A 12 12.132 -8.223 4.607 1.00 0.00 O ATOM 178 CB ALA A 12 11.904 -4.636 4.519 1.00 0.00 C ATOM 179 H ALA A 12 10.144 -6.137 5.832 1.00 0.00 H ATOM 180 HA ALA A 12 11.102 -5.957 3.064 1.00 0.00 H ATOM 181 HB1 ALA A 12 12.687 -4.761 5.252 1.00 0.00 H ATOM 182 HB2 ALA A 12 11.103 -4.047 4.944 1.00 0.00 H ATOM 183 HB3 ALA A 12 12.301 -4.130 3.651 1.00 0.00 H HETATM 184 N NH2 A 13 13.701 -6.697 4.133 1.00 0.00 N TER 185 NH2 A 13 HETATM 186 RH RH3 A 14 -1.053 -2.075 -5.575 1.00 0.00 RH HETATM 187 RH RH3 A 15 -0.554 -0.365 -7.158 1.00 0.00 RH HETATM 188 C ACT A 16 1.560 -2.236 -6.719 1.00 0.00 C HETATM 189 O ACT A 16 0.807 -2.833 -5.888 1.00 0.00 O HETATM 190 OXT ACT A 16 1.283 -1.199 -7.401 1.00 0.00 O HETATM 191 CH3 ACT A 16 2.934 -2.827 -6.926 1.00 0.00 C HETATM 192 H1 ACT A 16 2.878 -3.621 -7.656 1.00 0.00 H HETATM 193 H2 ACT A 16 3.299 -3.224 -5.989 1.00 0.00 H HETATM 194 H3 ACT A 16 3.606 -2.060 -7.278 1.00 0.00 H HETATM 195 C ACT A 17 -1.750 -2.711 -8.269 1.00 0.00 C HETATM 196 O ACT A 17 -1.777 -3.205 -7.100 1.00 0.00 O HETATM 197 OXT ACT A 17 -1.303 -1.572 -8.614 1.00 0.00 O HETATM 198 CH3 ACT A 17 -2.303 -3.580 -9.374 1.00 0.00 C HETATM 199 H1 ACT A 17 -1.970 -4.597 -9.233 1.00 0.00 H HETATM 200 H2 ACT A 17 -1.953 -3.214 -10.328 1.00 0.00 H HETATM 201 H3 ACT A 17 -3.384 -3.547 -9.349 1.00 0.00 H ENDMDL MODEL 7 ATOM 1 N PRO A 1 -10.578 -8.021 -3.544 1.00 0.00 N ATOM 2 CA PRO A 1 -11.166 -6.670 -3.759 1.00 0.00 C ATOM 3 C PRO A 1 -10.104 -5.645 -4.152 1.00 0.00 C ATOM 4 O PRO A 1 -8.908 -5.874 -3.971 1.00 0.00 O ATOM 5 CB PRO A 1 -11.853 -6.255 -2.460 1.00 0.00 C ATOM 6 CG PRO A 1 -11.471 -7.317 -1.485 1.00 0.00 C ATOM 7 CD PRO A 1 -11.160 -8.550 -2.299 1.00 0.00 C ATOM 8 H2 PRO A 1 -9.561 -7.832 -3.569 1.00 0.00 H ATOM 9 H3 PRO A 1 -10.783 -8.486 -4.459 1.00 0.00 H ATOM 10 HA PRO A 1 -11.903 -6.736 -4.544 1.00 0.00 H ATOM 11 HB2 PRO A 1 -11.494 -5.283 -2.152 1.00 0.00 H ATOM 12 HB3 PRO A 1 -12.922 -6.222 -2.608 1.00 0.00 H ATOM 13 HG2 PRO A 1 -10.599 -7.007 -0.928 1.00 0.00 H ATOM 14 HG3 PRO A 1 -12.295 -7.510 -0.814 1.00 0.00 H ATOM 15 HD2 PRO A 1 -10.449 -9.174 -1.779 1.00 0.00 H ATOM 16 HD3 PRO A 1 -12.065 -9.101 -2.506 1.00 0.00 H ATOM 17 N PHE A 2 -10.550 -4.515 -4.691 1.00 0.00 N ATOM 18 CA PHE A 2 -9.641 -3.457 -5.109 1.00 0.00 C ATOM 19 C PHE A 2 -9.301 -2.528 -3.936 1.00 0.00 C ATOM 20 O PHE A 2 -9.279 -2.968 -2.787 1.00 0.00 O ATOM 21 CB PHE A 2 -10.249 -2.677 -6.278 1.00 0.00 C ATOM 22 CG PHE A 2 -9.353 -2.632 -7.480 1.00 0.00 C ATOM 23 CD1 PHE A 2 -9.191 -3.754 -8.271 1.00 0.00 C ATOM 24 CD2 PHE A 2 -8.670 -1.474 -7.815 1.00 0.00 C ATOM 25 CE1 PHE A 2 -8.365 -3.724 -9.379 1.00 0.00 C ATOM 26 CE2 PHE A 2 -7.844 -1.436 -8.919 1.00 0.00 C ATOM 27 CZ PHE A 2 -7.690 -2.563 -9.704 1.00 0.00 C ATOM 28 H PHE A 2 -11.513 -4.389 -4.809 1.00 0.00 H ATOM 29 HA PHE A 2 -8.728 -3.930 -5.441 1.00 0.00 H ATOM 30 HB2 PHE A 2 -11.174 -3.149 -6.575 1.00 0.00 H ATOM 31 HB3 PHE A 2 -10.452 -1.663 -5.971 1.00 0.00 H ATOM 32 HD1 PHE A 2 -9.719 -4.661 -8.014 1.00 0.00 H ATOM 33 HD2 PHE A 2 -8.787 -0.595 -7.202 1.00 0.00 H ATOM 34 HE1 PHE A 2 -8.248 -4.607 -9.989 1.00 0.00 H ATOM 35 HE2 PHE A 2 -7.318 -0.527 -9.168 1.00 0.00 H ATOM 36 HZ PHE A 2 -7.044 -2.537 -10.569 1.00 0.00 H ATOM 37 N ALA A 3 -9.008 -1.254 -4.237 1.00 0.00 N ATOM 38 CA ALA A 3 -8.638 -0.262 -3.221 1.00 0.00 C ATOM 39 C ALA A 3 -7.123 -0.146 -3.155 1.00 0.00 C ATOM 40 O ALA A 3 -6.488 -0.598 -2.202 1.00 0.00 O ATOM 41 CB ALA A 3 -9.211 -0.607 -1.850 1.00 0.00 C ATOM 42 H ALA A 3 -9.020 -0.973 -5.176 1.00 0.00 H ATOM 43 HA ALA A 3 -9.045 0.692 -3.528 1.00 0.00 H ATOM 44 HB1 ALA A 3 -9.274 0.288 -1.250 1.00 0.00 H ATOM 45 HB2 ALA A 3 -8.569 -1.323 -1.361 1.00 0.00 H ATOM 46 HB3 ALA A 3 -10.197 -1.031 -1.969 1.00 0.00 H ATOM 47 N ASP A 4 -6.552 0.438 -4.202 1.00 0.00 N ATOM 48 CA ASP A 4 -5.110 0.596 -4.312 1.00 0.00 C ATOM 49 C ASP A 4 -4.661 1.954 -3.755 1.00 0.00 C ATOM 50 O ASP A 4 -4.095 2.777 -4.476 1.00 0.00 O ATOM 51 CB ASP A 4 -4.733 0.427 -5.794 1.00 0.00 C ATOM 52 CG ASP A 4 -3.355 -0.166 -6.034 1.00 0.00 C ATOM 53 OD1 ASP A 4 -3.046 -1.206 -5.413 1.00 0.00 O ATOM 54 OD2 ASP A 4 -2.603 0.395 -6.860 1.00 0.00 O ATOM 55 H ASP A 4 -7.121 0.753 -4.936 1.00 0.00 H ATOM 56 HA ASP A 4 -4.667 -0.206 -3.742 1.00 0.00 H ATOM 57 HB2 ASP A 4 -5.449 -0.247 -6.238 1.00 0.00 H ATOM 58 HB3 ASP A 4 -4.812 1.379 -6.296 1.00 0.00 H ATOM 59 N SER A 5 -4.920 2.178 -2.459 1.00 0.00 N ATOM 60 CA SER A 5 -4.546 3.432 -1.789 1.00 0.00 C ATOM 61 C SER A 5 -3.244 3.261 -1.006 1.00 0.00 C ATOM 62 O SER A 5 -2.354 4.110 -1.065 1.00 0.00 O ATOM 63 CB SER A 5 -5.665 3.898 -0.857 1.00 0.00 C ATOM 64 OG SER A 5 -5.866 2.984 0.208 1.00 0.00 O ATOM 65 H SER A 5 -5.365 1.477 -1.938 1.00 0.00 H ATOM 66 HA SER A 5 -4.386 4.178 -2.553 1.00 0.00 H ATOM 67 HB2 SER A 5 -5.409 4.864 -0.447 1.00 0.00 H ATOM 68 HB3 SER A 5 -6.582 3.989 -1.419 1.00 0.00 H ATOM 69 HG SER A 5 -6.763 2.644 0.174 1.00 0.00 H ATOM 70 N ILE A 6 -3.115 2.121 -0.341 1.00 0.00 N ATOM 71 CA ILE A 6 -1.902 1.777 0.379 1.00 0.00 C ATOM 72 C ILE A 6 -1.195 0.767 -0.488 1.00 0.00 C ATOM 73 O ILE A 6 -1.677 -0.352 -0.668 1.00 0.00 O ATOM 74 CB ILE A 6 -2.184 1.183 1.774 1.00 0.00 C ATOM 75 CG1 ILE A 6 -3.039 2.145 2.599 1.00 0.00 C ATOM 76 CG2 ILE A 6 -0.879 0.876 2.493 1.00 0.00 C ATOM 77 CD1 ILE A 6 -4.063 1.450 3.469 1.00 0.00 C ATOM 78 H ILE A 6 -3.825 1.459 -0.399 1.00 0.00 H ATOM 79 HA ILE A 6 -1.285 2.660 0.468 1.00 0.00 H ATOM 80 HB ILE A 6 -2.721 0.255 1.644 1.00 0.00 H ATOM 81 HG12 ILE A 6 -2.397 2.726 3.244 1.00 0.00 H ATOM 82 HG13 ILE A 6 -3.567 2.811 1.931 1.00 0.00 H ATOM 83 HG21 ILE A 6 -0.393 0.039 2.014 1.00 0.00 H ATOM 84 HG22 ILE A 6 -1.084 0.632 3.524 1.00 0.00 H ATOM 85 HG23 ILE A 6 -0.232 1.741 2.450 1.00 0.00 H ATOM 86 HD11 ILE A 6 -4.686 2.187 3.952 1.00 0.00 H ATOM 87 HD12 ILE A 6 -3.558 0.859 4.218 1.00 0.00 H ATOM 88 HD13 ILE A 6 -4.677 0.805 2.856 1.00 0.00 H ATOM 89 N ASP A 7 -0.113 1.193 -1.116 1.00 0.00 N ATOM 90 CA ASP A 7 0.567 0.332 -2.068 1.00 0.00 C ATOM 91 C ASP A 7 2.009 0.015 -1.679 1.00 0.00 C ATOM 92 O ASP A 7 2.732 -0.648 -2.422 1.00 0.00 O ATOM 93 CB ASP A 7 0.456 1.045 -3.413 1.00 0.00 C ATOM 94 CG ASP A 7 0.011 0.183 -4.560 1.00 0.00 C ATOM 95 OD1 ASP A 7 -0.438 -0.948 -4.293 1.00 0.00 O ATOM 96 OD2 ASP A 7 0.055 0.665 -5.711 1.00 0.00 O ATOM 97 H ASP A 7 0.184 2.115 -0.990 1.00 0.00 H ATOM 98 HA ASP A 7 -0.043 -0.555 -2.088 1.00 0.00 H ATOM 99 HB2 ASP A 7 -0.332 1.779 -3.284 1.00 0.00 H ATOM 100 HB3 ASP A 7 1.350 1.602 -3.634 1.00 0.00 H ATOM 101 N GLY A 8 2.418 0.492 -0.509 1.00 0.00 N ATOM 102 CA GLY A 8 3.770 0.252 -0.040 1.00 0.00 C ATOM 103 C GLY A 8 3.866 0.252 1.472 1.00 0.00 C ATOM 104 O GLY A 8 3.148 -0.485 2.148 1.00 0.00 O ATOM 105 H GLY A 8 1.797 1.014 0.039 1.00 0.00 H ATOM 106 HA2 GLY A 8 4.103 -0.706 -0.411 1.00 0.00 H ATOM 107 HA3 GLY A 8 4.417 1.023 -0.431 1.00 0.00 H ATOM 108 N ARG A 9 4.758 1.081 2.006 1.00 0.00 N ATOM 109 CA ARG A 9 4.949 1.177 3.449 1.00 0.00 C ATOM 110 C ARG A 9 5.435 -0.150 4.023 1.00 0.00 C ATOM 111 O ARG A 9 4.640 -0.966 4.489 1.00 0.00 O ATOM 112 CB ARG A 9 3.643 1.592 4.132 1.00 0.00 C ATOM 113 CG ARG A 9 3.029 2.856 3.554 1.00 0.00 C ATOM 114 CD ARG A 9 3.914 4.070 3.792 1.00 0.00 C ATOM 115 NE ARG A 9 3.658 4.689 5.091 1.00 0.00 N ATOM 116 CZ ARG A 9 4.276 4.344 6.221 1.00 0.00 C ATOM 117 NH1 ARG A 9 5.196 3.373 6.209 1.00 0.00 N ATOM 118 NH2 ARG A 9 3.966 4.977 7.354 1.00 0.00 N ATOM 119 H ARG A 9 5.300 1.643 1.414 1.00 0.00 H ATOM 120 HA ARG A 9 5.697 1.931 3.635 1.00 0.00 H ATOM 121 HB2 ARG A 9 2.926 0.791 4.029 1.00 0.00 H ATOM 122 HB3 ARG A 9 3.835 1.758 5.181 1.00 0.00 H ATOM 123 HG2 ARG A 9 2.894 2.727 2.491 1.00 0.00 H ATOM 124 HG3 ARG A 9 2.070 3.024 4.022 1.00 0.00 H ATOM 125 HD2 ARG A 9 4.947 3.762 3.746 1.00 0.00 H ATOM 126 HD3 ARG A 9 3.722 4.795 3.015 1.00 0.00 H ATOM 127 HE ARG A 9 2.987 5.404 5.124 1.00 0.00 H ATOM 128 HH11 ARG A 9 5.417 2.908 5.352 1.00 0.00 H ATOM 129 HH12 ARG A 9 5.665 3.106 7.051 1.00 0.00 H ATOM 130 HH21 ARG A 9 3.275 5.701 7.344 1.00 0.00 H ATOM 131 HH22 ARG A 9 4.415 4.734 8.214 1.00 0.00 H ATOM 132 N LYS A 10 6.748 -0.359 3.987 1.00 0.00 N ATOM 133 CA LYS A 10 7.341 -1.586 4.504 1.00 0.00 C ATOM 134 C LYS A 10 8.282 -1.287 5.667 1.00 0.00 C ATOM 135 O LYS A 10 8.337 -2.038 6.642 1.00 0.00 O ATOM 136 CB LYS A 10 8.099 -2.318 3.395 1.00 0.00 C ATOM 137 CG LYS A 10 7.190 -3.024 2.402 1.00 0.00 C ATOM 138 CD LYS A 10 7.731 -4.395 2.025 1.00 0.00 C ATOM 139 CE LYS A 10 6.618 -5.425 1.920 1.00 0.00 C ATOM 140 NZ LYS A 10 6.783 -6.302 0.729 1.00 0.00 N ATOM 141 H LYS A 10 7.330 0.330 3.604 1.00 0.00 H ATOM 142 HA LYS A 10 6.541 -2.219 4.858 1.00 0.00 H ATOM 143 HB2 LYS A 10 8.702 -1.603 2.854 1.00 0.00 H ATOM 144 HB3 LYS A 10 8.748 -3.054 3.844 1.00 0.00 H ATOM 145 HG2 LYS A 10 6.213 -3.145 2.845 1.00 0.00 H ATOM 146 HG3 LYS A 10 7.110 -2.420 1.510 1.00 0.00 H ATOM 147 HD2 LYS A 10 8.231 -4.323 1.070 1.00 0.00 H ATOM 148 HD3 LYS A 10 8.436 -4.713 2.779 1.00 0.00 H ATOM 149 HE2 LYS A 10 6.627 -6.037 2.810 1.00 0.00 H ATOM 150 HE3 LYS A 10 5.671 -4.909 1.849 1.00 0.00 H ATOM 151 HZ1 LYS A 10 6.452 -7.265 0.945 1.00 0.00 H ATOM 152 HZ2 LYS A 10 7.785 -6.347 0.453 1.00 0.00 H ATOM 153 HZ3 LYS A 10 6.231 -5.929 -0.070 1.00 0.00 H ATOM 154 N PHE A 11 9.021 -0.188 5.558 1.00 0.00 N ATOM 155 CA PHE A 11 9.959 0.210 6.600 1.00 0.00 C ATOM 156 C PHE A 11 9.354 1.290 7.493 1.00 0.00 C ATOM 157 O PHE A 11 9.920 2.374 7.647 1.00 0.00 O ATOM 158 CB PHE A 11 11.265 0.713 5.979 1.00 0.00 C ATOM 159 CG PHE A 11 11.742 -0.115 4.820 1.00 0.00 C ATOM 160 CD1 PHE A 11 11.583 -1.491 4.822 1.00 0.00 C ATOM 161 CD2 PHE A 11 12.351 0.486 3.731 1.00 0.00 C ATOM 162 CE1 PHE A 11 12.024 -2.253 3.759 1.00 0.00 C ATOM 163 CE2 PHE A 11 12.794 -0.273 2.664 1.00 0.00 C ATOM 164 CZ PHE A 11 12.631 -1.644 2.678 1.00 0.00 C ATOM 165 H PHE A 11 8.932 0.370 4.757 1.00 0.00 H ATOM 166 HA PHE A 11 10.170 -0.660 7.204 1.00 0.00 H ATOM 167 HB2 PHE A 11 11.124 1.724 5.628 1.00 0.00 H ATOM 168 HB3 PHE A 11 12.039 0.703 6.730 1.00 0.00 H ATOM 169 HD1 PHE A 11 11.107 -1.967 5.666 1.00 0.00 H ATOM 170 HD2 PHE A 11 12.480 1.557 3.719 1.00 0.00 H ATOM 171 HE1 PHE A 11 11.895 -3.324 3.774 1.00 0.00 H ATOM 172 HE2 PHE A 11 13.269 0.207 1.822 1.00 0.00 H ATOM 173 HZ PHE A 11 12.977 -2.238 1.846 1.00 0.00 H ATOM 174 N ALA A 12 8.201 0.987 8.078 1.00 0.00 N ATOM 175 CA ALA A 12 7.517 1.930 8.955 1.00 0.00 C ATOM 176 C ALA A 12 8.378 2.280 10.163 1.00 0.00 C ATOM 177 O ALA A 12 8.829 1.399 10.895 1.00 0.00 O ATOM 178 CB ALA A 12 6.182 1.359 9.404 1.00 0.00 C ATOM 179 H ALA A 12 7.800 0.108 7.916 1.00 0.00 H ATOM 180 HA ALA A 12 7.325 2.831 8.389 1.00 0.00 H ATOM 181 HB1 ALA A 12 5.786 1.959 10.210 1.00 0.00 H ATOM 182 HB2 ALA A 12 6.320 0.344 9.746 1.00 0.00 H ATOM 183 HB3 ALA A 12 5.488 1.369 8.576 1.00 0.00 H HETATM 184 N NH2 A 13 8.615 3.568 10.381 1.00 0.00 N TER 185 NH2 A 13 HETATM 186 RH RH3 A 14 -1.203 -2.162 -5.718 1.00 0.00 RH HETATM 187 RH RH3 A 15 -0.698 -0.442 -7.290 1.00 0.00 RH HETATM 188 C ACT A 16 1.371 -2.379 -6.936 1.00 0.00 C HETATM 189 O ACT A 16 0.625 -2.968 -6.093 1.00 0.00 O HETATM 190 OXT ACT A 16 1.107 -1.325 -7.594 1.00 0.00 O HETATM 191 CH3 ACT A 16 2.721 -3.006 -7.190 1.00 0.00 C HETATM 192 H1 ACT A 16 3.467 -2.231 -7.283 1.00 0.00 H HETATM 193 H2 ACT A 16 2.685 -3.584 -8.102 1.00 0.00 H HETATM 194 H3 ACT A 16 2.978 -3.654 -6.363 1.00 0.00 H HETATM 195 C ACT A 17 -1.992 -2.736 -8.401 1.00 0.00 C HETATM 196 O ACT A 17 -2.001 -3.247 -7.239 1.00 0.00 O HETATM 197 OXT ACT A 17 -1.520 -1.604 -8.742 1.00 0.00 O HETATM 198 CH3 ACT A 17 -2.600 -3.571 -9.502 1.00 0.00 C HETATM 199 H1 ACT A 17 -3.679 -3.508 -9.446 1.00 0.00 H HETATM 200 H2 ACT A 17 -2.292 -4.599 -9.388 1.00 0.00 H HETATM 201 H3 ACT A 17 -2.269 -3.199 -10.461 1.00 0.00 H ENDMDL MODEL 8 ATOM 1 N PRO A 1 -13.332 -5.908 -4.879 1.00 0.00 N ATOM 2 CA PRO A 1 -13.707 -4.485 -4.663 1.00 0.00 C ATOM 3 C PRO A 1 -12.595 -3.534 -5.098 1.00 0.00 C ATOM 4 O PRO A 1 -12.865 -2.448 -5.612 1.00 0.00 O ATOM 5 CB PRO A 1 -14.005 -4.309 -3.176 1.00 0.00 C ATOM 6 CG PRO A 1 -13.946 -5.693 -2.622 1.00 0.00 C ATOM 7 CD PRO A 1 -13.065 -6.488 -3.553 1.00 0.00 C ATOM 8 H2 PRO A 1 -12.551 -5.837 -5.553 1.00 0.00 H ATOM 9 H3 PRO A 1 -14.140 -6.252 -5.450 1.00 0.00 H ATOM 10 HA PRO A 1 -14.599 -4.272 -5.232 1.00 0.00 H ATOM 11 HB2 PRO A 1 -13.259 -3.668 -2.728 1.00 0.00 H ATOM 12 HB3 PRO A 1 -14.985 -3.875 -3.050 1.00 0.00 H ATOM 13 HG2 PRO A 1 -13.519 -5.671 -1.629 1.00 0.00 H ATOM 14 HG3 PRO A 1 -14.939 -6.117 -2.592 1.00 0.00 H ATOM 15 HD2 PRO A 1 -12.026 -6.366 -3.284 1.00 0.00 H ATOM 16 HD3 PRO A 1 -13.340 -7.532 -3.531 1.00 0.00 H ATOM 17 N PHE A 2 -11.345 -3.945 -4.857 1.00 0.00 N ATOM 18 CA PHE A 2 -10.162 -3.147 -5.188 1.00 0.00 C ATOM 19 C PHE A 2 -9.774 -2.242 -4.014 1.00 0.00 C ATOM 20 O PHE A 2 -10.065 -2.573 -2.864 1.00 0.00 O ATOM 21 CB PHE A 2 -10.388 -2.325 -6.466 1.00 0.00 C ATOM 22 CG PHE A 2 -9.296 -2.495 -7.482 1.00 0.00 C ATOM 23 CD1 PHE A 2 -8.978 -3.754 -7.964 1.00 0.00 C ATOM 24 CD2 PHE A 2 -8.594 -1.402 -7.964 1.00 0.00 C ATOM 25 CE1 PHE A 2 -7.981 -3.920 -8.905 1.00 0.00 C ATOM 26 CE2 PHE A 2 -7.598 -1.561 -8.907 1.00 0.00 C ATOM 27 CZ PHE A 2 -7.290 -2.822 -9.378 1.00 0.00 C ATOM 28 H PHE A 2 -11.216 -4.805 -4.409 1.00 0.00 H ATOM 29 HA PHE A 2 -9.354 -3.843 -5.376 1.00 0.00 H ATOM 30 HB2 PHE A 2 -11.311 -2.635 -6.928 1.00 0.00 H ATOM 31 HB3 PHE A 2 -10.452 -1.279 -6.211 1.00 0.00 H ATOM 32 HD1 PHE A 2 -9.518 -4.614 -7.593 1.00 0.00 H ATOM 33 HD2 PHE A 2 -8.828 -0.416 -7.597 1.00 0.00 H ATOM 34 HE1 PHE A 2 -7.742 -4.907 -9.271 1.00 0.00 H ATOM 35 HE2 PHE A 2 -7.061 -0.700 -9.274 1.00 0.00 H ATOM 36 HZ PHE A 2 -6.513 -2.947 -10.115 1.00 0.00 H ATOM 37 N ALA A 3 -9.116 -1.107 -4.308 1.00 0.00 N ATOM 38 CA ALA A 3 -8.674 -0.141 -3.288 1.00 0.00 C ATOM 39 C ALA A 3 -7.155 -0.099 -3.222 1.00 0.00 C ATOM 40 O ALA A 3 -6.543 -0.617 -2.287 1.00 0.00 O ATOM 41 CB ALA A 3 -9.253 -0.446 -1.910 1.00 0.00 C ATOM 42 H ALA A 3 -8.912 -0.912 -5.249 1.00 0.00 H ATOM 43 HA ALA A 3 -9.030 0.835 -3.590 1.00 0.00 H ATOM 44 HB1 ALA A 3 -9.033 0.371 -1.239 1.00 0.00 H ATOM 45 HB2 ALA A 3 -8.812 -1.354 -1.526 1.00 0.00 H ATOM 46 HB3 ALA A 3 -10.323 -0.570 -1.987 1.00 0.00 H ATOM 47 N ASP A 4 -6.554 0.503 -4.239 1.00 0.00 N ATOM 48 CA ASP A 4 -5.105 0.604 -4.332 1.00 0.00 C ATOM 49 C ASP A 4 -4.614 1.941 -3.758 1.00 0.00 C ATOM 50 O ASP A 4 -4.001 2.743 -4.462 1.00 0.00 O ATOM 51 CB ASP A 4 -4.711 0.434 -5.808 1.00 0.00 C ATOM 52 CG ASP A 4 -3.339 -0.179 -6.030 1.00 0.00 C ATOM 53 OD1 ASP A 4 -3.060 -1.234 -5.420 1.00 0.00 O ATOM 54 OD2 ASP A 4 -2.560 0.385 -6.829 1.00 0.00 O ATOM 55 H ASP A 4 -7.102 0.876 -4.960 1.00 0.00 H ATOM 56 HA ASP A 4 -4.695 -0.217 -3.762 1.00 0.00 H ATOM 57 HB2 ASP A 4 -5.431 -0.226 -6.264 1.00 0.00 H ATOM 58 HB3 ASP A 4 -4.764 1.388 -6.308 1.00 0.00 H ATOM 59 N SER A 5 -4.895 2.169 -2.467 1.00 0.00 N ATOM 60 CA SER A 5 -4.490 3.406 -1.781 1.00 0.00 C ATOM 61 C SER A 5 -3.217 3.183 -0.965 1.00 0.00 C ATOM 62 O SER A 5 -2.299 4.003 -0.990 1.00 0.00 O ATOM 63 CB SER A 5 -5.616 3.911 -0.877 1.00 0.00 C ATOM 64 OG SER A 5 -5.880 3.002 0.177 1.00 0.00 O ATOM 65 H SER A 5 -5.382 1.485 -1.961 1.00 0.00 H ATOM 66 HA SER A 5 -4.282 4.147 -2.538 1.00 0.00 H ATOM 67 HB2 SER A 5 -5.333 4.865 -0.458 1.00 0.00 H ATOM 68 HB3 SER A 5 -6.513 4.039 -1.464 1.00 0.00 H ATOM 69 HG SER A 5 -6.525 2.354 -0.113 1.00 0.00 H ATOM 70 N ILE A 6 -3.142 2.033 -0.309 1.00 0.00 N ATOM 71 CA ILE A 6 -1.960 1.645 0.441 1.00 0.00 C ATOM 72 C ILE A 6 -1.251 0.639 -0.430 1.00 0.00 C ATOM 73 O ILE A 6 -1.747 -0.469 -0.640 1.00 0.00 O ATOM 74 CB ILE A 6 -2.295 1.027 1.812 1.00 0.00 C ATOM 75 CG1 ILE A 6 -3.247 1.940 2.588 1.00 0.00 C ATOM 76 CG2 ILE A 6 -1.022 0.780 2.609 1.00 0.00 C ATOM 77 CD1 ILE A 6 -3.829 1.295 3.827 1.00 0.00 C ATOM 78 H ILE A 6 -3.871 1.394 -0.393 1.00 0.00 H ATOM 79 HA ILE A 6 -1.324 2.512 0.565 1.00 0.00 H ATOM 80 HB ILE A 6 -2.777 0.076 1.646 1.00 0.00 H ATOM 81 HG12 ILE A 6 -2.713 2.827 2.897 1.00 0.00 H ATOM 82 HG13 ILE A 6 -4.067 2.225 1.945 1.00 0.00 H ATOM 83 HG21 ILE A 6 -1.215 0.950 3.658 1.00 0.00 H ATOM 84 HG22 ILE A 6 -0.250 1.455 2.270 1.00 0.00 H ATOM 85 HG23 ILE A 6 -0.699 -0.240 2.462 1.00 0.00 H ATOM 86 HD11 ILE A 6 -4.903 1.235 3.731 1.00 0.00 H ATOM 87 HD12 ILE A 6 -3.578 1.888 4.694 1.00 0.00 H ATOM 88 HD13 ILE A 6 -3.422 0.301 3.939 1.00 0.00 H ATOM 89 N ASP A 7 -0.151 1.061 -1.030 1.00 0.00 N ATOM 90 CA ASP A 7 0.532 0.206 -1.986 1.00 0.00 C ATOM 91 C ASP A 7 1.969 -0.123 -1.591 1.00 0.00 C ATOM 92 O ASP A 7 2.694 -0.778 -2.341 1.00 0.00 O ATOM 93 CB ASP A 7 0.439 0.941 -3.320 1.00 0.00 C ATOM 94 CG ASP A 7 0.004 0.102 -4.487 1.00 0.00 C ATOM 95 OD1 ASP A 7 -0.462 -1.029 -4.246 1.00 0.00 O ATOM 96 OD2 ASP A 7 0.073 0.601 -5.629 1.00 0.00 O ATOM 97 H ASP A 7 0.156 1.976 -0.884 1.00 0.00 H ATOM 98 HA ASP A 7 -0.082 -0.676 -2.026 1.00 0.00 H ATOM 99 HB2 ASP A 7 -0.347 1.678 -3.188 1.00 0.00 H ATOM 100 HB3 ASP A 7 1.337 1.498 -3.522 1.00 0.00 H ATOM 101 N GLY A 8 2.374 0.333 -0.412 1.00 0.00 N ATOM 102 CA GLY A 8 3.721 0.078 0.058 1.00 0.00 C ATOM 103 C GLY A 8 4.203 1.132 1.036 1.00 0.00 C ATOM 104 O GLY A 8 3.967 2.325 0.840 1.00 0.00 O ATOM 105 H GLY A 8 1.753 0.849 0.141 1.00 0.00 H ATOM 106 HA2 GLY A 8 3.743 -0.886 0.545 1.00 0.00 H ATOM 107 HA3 GLY A 8 4.389 0.057 -0.790 1.00 0.00 H ATOM 108 N ARG A 9 4.878 0.689 2.090 1.00 0.00 N ATOM 109 CA ARG A 9 5.399 1.596 3.110 1.00 0.00 C ATOM 110 C ARG A 9 4.270 2.162 3.965 1.00 0.00 C ATOM 111 O ARG A 9 3.304 2.721 3.444 1.00 0.00 O ATOM 112 CB ARG A 9 6.187 2.738 2.463 1.00 0.00 C ATOM 113 CG ARG A 9 7.092 3.480 3.434 1.00 0.00 C ATOM 114 CD ARG A 9 6.322 4.521 4.233 1.00 0.00 C ATOM 115 NE ARG A 9 6.934 5.844 4.143 1.00 0.00 N ATOM 116 CZ ARG A 9 8.019 6.208 4.823 1.00 0.00 C ATOM 117 NH1 ARG A 9 8.609 5.338 5.649 1.00 0.00 N ATOM 118 NH2 ARG A 9 8.502 7.444 4.672 1.00 0.00 N ATOM 119 H ARG A 9 5.030 -0.274 2.187 1.00 0.00 H ATOM 120 HA ARG A 9 6.063 1.030 3.746 1.00 0.00 H ATOM 121 HB2 ARG A 9 6.800 2.334 1.672 1.00 0.00 H ATOM 122 HB3 ARG A 9 5.491 3.447 2.040 1.00 0.00 H ATOM 123 HG2 ARG A 9 7.530 2.769 4.117 1.00 0.00 H ATOM 124 HG3 ARG A 9 7.874 3.975 2.876 1.00 0.00 H ATOM 125 HD2 ARG A 9 5.312 4.575 3.853 1.00 0.00 H ATOM 126 HD3 ARG A 9 6.299 4.215 5.269 1.00 0.00 H ATOM 127 HE ARG A 9 6.516 6.496 3.543 1.00 0.00 H ATOM 128 HH11 ARG A 9 8.232 4.417 5.750 1.00 0.00 H ATOM 129 HH12 ARG A 9 9.424 5.599 6.167 1.00 0.00 H ATOM 130 HH21 ARG A 9 8.046 8.081 4.049 1.00 0.00 H ATOM 131 HH22 ARG A 9 9.315 7.739 5.173 1.00 0.00 H ATOM 132 N LYS A 10 4.399 2.012 5.278 1.00 0.00 N ATOM 133 CA LYS A 10 3.390 2.508 6.208 1.00 0.00 C ATOM 134 C LYS A 10 4.042 3.246 7.374 1.00 0.00 C ATOM 135 O LYS A 10 3.626 4.347 7.734 1.00 0.00 O ATOM 136 CB LYS A 10 2.540 1.349 6.734 1.00 0.00 C ATOM 137 CG LYS A 10 1.460 1.780 7.713 1.00 0.00 C ATOM 138 CD LYS A 10 0.749 0.583 8.323 1.00 0.00 C ATOM 139 CE LYS A 10 0.522 0.766 9.814 1.00 0.00 C ATOM 140 NZ LYS A 10 1.566 0.080 10.623 1.00 0.00 N ATOM 141 H LYS A 10 5.191 1.557 5.632 1.00 0.00 H ATOM 142 HA LYS A 10 2.754 3.196 5.673 1.00 0.00 H ATOM 143 HB2 LYS A 10 2.063 0.860 5.898 1.00 0.00 H ATOM 144 HB3 LYS A 10 3.186 0.641 7.233 1.00 0.00 H ATOM 145 HG2 LYS A 10 1.916 2.357 8.506 1.00 0.00 H ATOM 146 HG3 LYS A 10 0.738 2.391 7.191 1.00 0.00 H ATOM 147 HD2 LYS A 10 -0.208 0.459 7.836 1.00 0.00 H ATOM 148 HD3 LYS A 10 1.351 -0.300 8.165 1.00 0.00 H ATOM 149 HE2 LYS A 10 0.541 1.822 10.041 1.00 0.00 H ATOM 150 HE3 LYS A 10 -0.445 0.361 10.072 1.00 0.00 H ATOM 151 HZ1 LYS A 10 1.517 0.395 11.614 1.00 0.00 H ATOM 152 HZ2 LYS A 10 2.512 0.300 10.249 1.00 0.00 H ATOM 153 HZ3 LYS A 10 1.425 -0.951 10.591 1.00 0.00 H ATOM 154 N PHE A 11 5.066 2.632 7.958 1.00 0.00 N ATOM 155 CA PHE A 11 5.776 3.231 9.082 1.00 0.00 C ATOM 156 C PHE A 11 6.499 4.503 8.653 1.00 0.00 C ATOM 157 O PHE A 11 7.331 4.482 7.746 1.00 0.00 O ATOM 158 CB PHE A 11 6.775 2.232 9.671 1.00 0.00 C ATOM 159 CG PHE A 11 6.695 2.113 11.165 1.00 0.00 C ATOM 160 CD1 PHE A 11 5.639 1.443 11.764 1.00 0.00 C ATOM 161 CD2 PHE A 11 7.675 2.669 11.972 1.00 0.00 C ATOM 162 CE1 PHE A 11 5.562 1.331 13.139 1.00 0.00 C ATOM 163 CE2 PHE A 11 7.603 2.559 13.348 1.00 0.00 C ATOM 164 CZ PHE A 11 6.545 1.889 13.932 1.00 0.00 C ATOM 165 H PHE A 11 5.351 1.755 7.626 1.00 0.00 H ATOM 166 HA PHE A 11 5.047 3.483 9.838 1.00 0.00 H ATOM 167 HB2 PHE A 11 6.589 1.256 9.249 1.00 0.00 H ATOM 168 HB3 PHE A 11 7.778 2.543 9.414 1.00 0.00 H ATOM 169 HD1 PHE A 11 4.871 1.006 11.144 1.00 0.00 H ATOM 170 HD2 PHE A 11 8.502 3.192 11.516 1.00 0.00 H ATOM 171 HE1 PHE A 11 4.734 0.807 13.593 1.00 0.00 H ATOM 172 HE2 PHE A 11 8.374 2.997 13.966 1.00 0.00 H ATOM 173 HZ PHE A 11 6.487 1.803 15.007 1.00 0.00 H ATOM 174 N ALA A 12 6.175 5.612 9.311 1.00 0.00 N ATOM 175 CA ALA A 12 6.794 6.894 8.998 1.00 0.00 C ATOM 176 C ALA A 12 7.308 7.579 10.260 1.00 0.00 C ATOM 177 O ALA A 12 8.284 8.326 10.222 1.00 0.00 O ATOM 178 CB ALA A 12 5.804 7.795 8.275 1.00 0.00 C ATOM 179 H ALA A 12 5.504 5.567 10.024 1.00 0.00 H ATOM 180 HA ALA A 12 7.627 6.710 8.336 1.00 0.00 H ATOM 181 HB1 ALA A 12 6.256 8.760 8.099 1.00 0.00 H ATOM 182 HB2 ALA A 12 4.917 7.916 8.880 1.00 0.00 H ATOM 183 HB3 ALA A 12 5.534 7.347 7.329 1.00 0.00 H HETATM 184 N NH2 A 13 6.655 7.329 11.390 1.00 0.00 N TER 185 NH2 A 13 HETATM 186 RH RH3 A 14 -1.215 -2.206 -5.710 1.00 0.00 RH HETATM 187 RH RH3 A 15 -0.659 -0.462 -7.239 1.00 0.00 RH HETATM 188 C ACT A 16 1.380 -2.431 -6.882 1.00 0.00 C HETATM 189 O ACT A 16 0.610 -3.025 -6.066 1.00 0.00 O HETATM 190 OXT ACT A 16 1.142 -1.361 -7.525 1.00 0.00 O HETATM 191 CH3 ACT A 16 2.728 -3.070 -7.120 1.00 0.00 C HETATM 192 H1 ACT A 16 2.841 -3.925 -6.470 1.00 0.00 H HETATM 193 H2 ACT A 16 3.509 -2.353 -6.911 1.00 0.00 H HETATM 194 H3 ACT A 16 2.799 -3.389 -8.149 1.00 0.00 H HETATM 195 C ACT A 17 -1.955 -2.717 -8.420 1.00 0.00 C HETATM 196 O ACT A 17 -1.995 -3.251 -7.268 1.00 0.00 O HETATM 197 OXT ACT A 17 -1.465 -1.586 -8.729 1.00 0.00 O HETATM 198 CH3 ACT A 17 -2.550 -3.522 -9.549 1.00 0.00 C HETATM 199 H1 ACT A 17 -2.276 -4.559 -9.437 1.00 0.00 H HETATM 200 H2 ACT A 17 -2.178 -3.149 -10.493 1.00 0.00 H HETATM 201 H3 ACT A 17 -3.628 -3.429 -9.525 1.00 0.00 H ENDMDL MODEL 9 ATOM 1 N PRO A 1 -12.331 -5.948 -3.347 1.00 0.00 N ATOM 2 CA PRO A 1 -11.177 -6.570 -4.051 1.00 0.00 C ATOM 3 C PRO A 1 -10.108 -5.539 -4.407 1.00 0.00 C ATOM 4 O PRO A 1 -8.916 -5.773 -4.207 1.00 0.00 O ATOM 5 CB PRO A 1 -11.715 -7.237 -5.315 1.00 0.00 C ATOM 6 CG PRO A 1 -13.197 -7.116 -5.195 1.00 0.00 C ATOM 7 CD PRO A 1 -13.454 -5.928 -4.299 1.00 0.00 C ATOM 8 H2 PRO A 1 -11.940 -5.047 -3.027 1.00 0.00 H ATOM 9 H3 PRO A 1 -12.386 -6.533 -2.481 1.00 0.00 H ATOM 10 HA PRO A 1 -10.745 -7.322 -3.409 1.00 0.00 H ATOM 11 HB2 PRO A 1 -11.343 -6.718 -6.187 1.00 0.00 H ATOM 12 HB3 PRO A 1 -11.405 -8.271 -5.342 1.00 0.00 H ATOM 13 HG2 PRO A 1 -13.630 -6.948 -6.169 1.00 0.00 H ATOM 14 HG3 PRO A 1 -13.603 -8.013 -4.752 1.00 0.00 H ATOM 15 HD2 PRO A 1 -13.452 -5.014 -4.874 1.00 0.00 H ATOM 16 HD3 PRO A 1 -14.394 -6.045 -3.780 1.00 0.00 H ATOM 17 N PHE A 2 -10.543 -4.400 -4.935 1.00 0.00 N ATOM 18 CA PHE A 2 -9.625 -3.336 -5.318 1.00 0.00 C ATOM 19 C PHE A 2 -9.303 -2.429 -4.124 1.00 0.00 C ATOM 20 O PHE A 2 -9.295 -2.890 -2.982 1.00 0.00 O ATOM 21 CB PHE A 2 -10.208 -2.536 -6.486 1.00 0.00 C ATOM 22 CG PHE A 2 -9.288 -2.472 -7.668 1.00 0.00 C ATOM 23 CD1 PHE A 2 -9.126 -3.576 -8.484 1.00 0.00 C ATOM 24 CD2 PHE A 2 -8.583 -1.317 -7.958 1.00 0.00 C ATOM 25 CE1 PHE A 2 -8.278 -3.530 -9.575 1.00 0.00 C ATOM 26 CE2 PHE A 2 -7.733 -1.262 -9.045 1.00 0.00 C ATOM 27 CZ PHE A 2 -7.579 -2.371 -9.855 1.00 0.00 C ATOM 28 H PHE A 2 -11.503 -4.273 -5.071 1.00 0.00 H ATOM 29 HA PHE A 2 -8.706 -3.806 -5.641 1.00 0.00 H ATOM 30 HB2 PHE A 2 -11.129 -3.001 -6.808 1.00 0.00 H ATOM 31 HB3 PHE A 2 -10.415 -1.527 -6.165 1.00 0.00 H ATOM 32 HD1 PHE A 2 -9.673 -4.481 -8.262 1.00 0.00 H ATOM 33 HD2 PHE A 2 -8.700 -0.451 -7.325 1.00 0.00 H ATOM 34 HE1 PHE A 2 -8.160 -4.398 -10.206 1.00 0.00 H ATOM 35 HE2 PHE A 2 -7.189 -0.354 -9.260 1.00 0.00 H ATOM 36 HZ PHE A 2 -6.916 -2.331 -10.706 1.00 0.00 H ATOM 37 N ALA A 3 -9.009 -1.148 -4.396 1.00 0.00 N ATOM 38 CA ALA A 3 -8.653 -0.178 -3.356 1.00 0.00 C ATOM 39 C ALA A 3 -7.139 -0.088 -3.245 1.00 0.00 C ATOM 40 O ALA A 3 -6.540 -0.566 -2.283 1.00 0.00 O ATOM 41 CB ALA A 3 -9.273 -0.532 -2.008 1.00 0.00 C ATOM 42 H ALA A 3 -9.007 -0.851 -5.330 1.00 0.00 H ATOM 43 HA ALA A 3 -9.035 0.787 -3.662 1.00 0.00 H ATOM 44 HB1 ALA A 3 -8.614 -1.202 -1.475 1.00 0.00 H ATOM 45 HB2 ALA A 3 -10.226 -1.015 -2.167 1.00 0.00 H ATOM 46 HB3 ALA A 3 -9.417 0.368 -1.430 1.00 0.00 H ATOM 47 N ASP A 4 -6.530 0.503 -4.265 1.00 0.00 N ATOM 48 CA ASP A 4 -5.083 0.636 -4.331 1.00 0.00 C ATOM 49 C ASP A 4 -4.623 1.977 -3.739 1.00 0.00 C ATOM 50 O ASP A 4 -4.020 2.798 -4.429 1.00 0.00 O ATOM 51 CB ASP A 4 -4.665 0.484 -5.804 1.00 0.00 C ATOM 52 CG ASP A 4 -3.293 -0.135 -6.015 1.00 0.00 C ATOM 53 OD1 ASP A 4 -3.027 -1.193 -5.407 1.00 0.00 O ATOM 54 OD2 ASP A 4 -2.504 0.427 -6.805 1.00 0.00 O ATOM 55 H ASP A 4 -7.071 0.838 -5.009 1.00 0.00 H ATOM 56 HA ASP A 4 -4.670 -0.183 -3.762 1.00 0.00 H ATOM 57 HB2 ASP A 4 -5.382 -0.168 -6.281 1.00 0.00 H ATOM 58 HB3 ASP A 4 -4.711 1.445 -6.294 1.00 0.00 H ATOM 59 N SER A 5 -4.917 2.184 -2.448 1.00 0.00 N ATOM 60 CA SER A 5 -4.538 3.420 -1.746 1.00 0.00 C ATOM 61 C SER A 5 -3.264 3.207 -0.928 1.00 0.00 C ATOM 62 O SER A 5 -2.353 4.035 -0.952 1.00 0.00 O ATOM 63 CB SER A 5 -5.675 3.893 -0.839 1.00 0.00 C ATOM 64 OG SER A 5 -5.926 2.966 0.203 1.00 0.00 O ATOM 65 H SER A 5 -5.392 1.485 -1.953 1.00 0.00 H ATOM 66 HA SER A 5 -4.340 4.175 -2.493 1.00 0.00 H ATOM 67 HB2 SER A 5 -5.411 4.847 -0.407 1.00 0.00 H ATOM 68 HB3 SER A 5 -6.573 4.013 -1.427 1.00 0.00 H ATOM 69 HG SER A 5 -6.593 3.322 0.795 1.00 0.00 H ATOM 70 N ILE A 6 -3.182 2.057 -0.273 1.00 0.00 N ATOM 71 CA ILE A 6 -2.001 1.674 0.477 1.00 0.00 C ATOM 72 C ILE A 6 -1.296 0.657 -0.385 1.00 0.00 C ATOM 73 O ILE A 6 -1.805 -0.444 -0.598 1.00 0.00 O ATOM 74 CB ILE A 6 -2.338 1.070 1.855 1.00 0.00 C ATOM 75 CG1 ILE A 6 -3.196 2.042 2.666 1.00 0.00 C ATOM 76 CG2 ILE A 6 -1.062 0.725 2.609 1.00 0.00 C ATOM 77 CD1 ILE A 6 -4.131 1.357 3.638 1.00 0.00 C ATOM 78 H ILE A 6 -3.907 1.414 -0.361 1.00 0.00 H ATOM 79 HA ILE A 6 -1.364 2.540 0.594 1.00 0.00 H ATOM 80 HB ILE A 6 -2.891 0.156 1.697 1.00 0.00 H ATOM 81 HG12 ILE A 6 -2.551 2.696 3.233 1.00 0.00 H ATOM 82 HG13 ILE A 6 -3.796 2.633 1.989 1.00 0.00 H ATOM 83 HG21 ILE A 6 -0.541 1.635 2.868 1.00 0.00 H ATOM 84 HG22 ILE A 6 -0.428 0.114 1.984 1.00 0.00 H ATOM 85 HG23 ILE A 6 -1.311 0.184 3.508 1.00 0.00 H ATOM 86 HD11 ILE A 6 -3.560 0.726 4.303 1.00 0.00 H ATOM 87 HD12 ILE A 6 -4.841 0.754 3.091 1.00 0.00 H ATOM 88 HD13 ILE A 6 -4.660 2.101 4.215 1.00 0.00 H ATOM 89 N ASP A 7 -0.183 1.061 -0.971 1.00 0.00 N ATOM 90 CA ASP A 7 0.500 0.194 -1.915 1.00 0.00 C ATOM 91 C ASP A 7 1.917 -0.179 -1.484 1.00 0.00 C ATOM 92 O ASP A 7 2.641 -0.855 -2.215 1.00 0.00 O ATOM 93 CB ASP A 7 0.461 0.933 -3.250 1.00 0.00 C ATOM 94 CG ASP A 7 0.032 0.106 -4.428 1.00 0.00 C ATOM 95 OD1 ASP A 7 -0.452 -1.021 -4.197 1.00 0.00 O ATOM 96 OD2 ASP A 7 0.122 0.608 -5.566 1.00 0.00 O ATOM 97 H ASP A 7 0.137 1.971 -0.820 1.00 0.00 H ATOM 98 HA ASP A 7 -0.136 -0.671 -1.973 1.00 0.00 H ATOM 99 HB2 ASP A 7 -0.309 1.690 -3.136 1.00 0.00 H ATOM 100 HB3 ASP A 7 1.378 1.466 -3.428 1.00 0.00 H ATOM 101 N GLY A 8 2.304 0.265 -0.294 1.00 0.00 N ATOM 102 CA GLY A 8 3.630 -0.032 0.215 1.00 0.00 C ATOM 103 C GLY A 8 4.471 1.214 0.413 1.00 0.00 C ATOM 104 O GLY A 8 4.498 2.095 -0.447 1.00 0.00 O ATOM 105 H GLY A 8 1.683 0.798 0.243 1.00 0.00 H ATOM 106 HA2 GLY A 8 3.534 -0.541 1.163 1.00 0.00 H ATOM 107 HA3 GLY A 8 4.133 -0.686 -0.483 1.00 0.00 H ATOM 108 N ARG A 9 5.156 1.290 1.550 1.00 0.00 N ATOM 109 CA ARG A 9 6.000 2.433 1.867 1.00 0.00 C ATOM 110 C ARG A 9 5.159 3.645 2.240 1.00 0.00 C ATOM 111 O ARG A 9 4.130 3.919 1.621 1.00 0.00 O ATOM 112 CB ARG A 9 6.920 2.776 0.700 1.00 0.00 C ATOM 113 CG ARG A 9 8.323 3.147 1.143 1.00 0.00 C ATOM 114 CD ARG A 9 9.355 2.721 0.118 1.00 0.00 C ATOM 115 NE ARG A 9 10.432 3.701 -0.016 1.00 0.00 N ATOM 116 CZ ARG A 9 10.244 4.971 -0.372 1.00 0.00 C ATOM 117 NH1 ARG A 9 9.011 5.416 -0.643 1.00 0.00 N ATOM 118 NH2 ARG A 9 11.298 5.787 -0.457 1.00 0.00 N ATOM 119 H ARG A 9 5.090 0.559 2.197 1.00 0.00 H ATOM 120 HA ARG A 9 6.611 2.162 2.715 1.00 0.00 H ATOM 121 HB2 ARG A 9 6.984 1.922 0.041 1.00 0.00 H ATOM 122 HB3 ARG A 9 6.503 3.610 0.157 1.00 0.00 H ATOM 123 HG2 ARG A 9 8.379 4.217 1.275 1.00 0.00 H ATOM 124 HG3 ARG A 9 8.536 2.655 2.080 1.00 0.00 H ATOM 125 HD2 ARG A 9 9.775 1.777 0.427 1.00 0.00 H ATOM 126 HD3 ARG A 9 8.866 2.603 -0.837 1.00 0.00 H ATOM 127 HE ARG A 9 11.344 3.397 0.171 1.00 0.00 H ATOM 128 HH11 ARG A 9 8.232 4.792 -0.578 1.00 0.00 H ATOM 129 HH12 ARG A 9 8.860 6.368 -0.907 1.00 0.00 H ATOM 130 HH21 ARG A 9 12.212 5.436 -0.254 1.00 0.00 H ATOM 131 HH22 ARG A 9 11.184 6.744 -0.723 1.00 0.00 H ATOM 132 N LYS A 10 5.610 4.365 3.254 1.00 0.00 N ATOM 133 CA LYS A 10 4.910 5.555 3.723 1.00 0.00 C ATOM 134 C LYS A 10 5.872 6.730 3.870 1.00 0.00 C ATOM 135 O LYS A 10 5.727 7.752 3.200 1.00 0.00 O ATOM 136 CB LYS A 10 4.222 5.275 5.061 1.00 0.00 C ATOM 137 CG LYS A 10 3.461 3.960 5.089 1.00 0.00 C ATOM 138 CD LYS A 10 2.774 3.744 6.428 1.00 0.00 C ATOM 139 CE LYS A 10 2.241 2.327 6.559 1.00 0.00 C ATOM 140 NZ LYS A 10 0.905 2.173 5.918 1.00 0.00 N ATOM 141 H LYS A 10 6.437 4.088 3.700 1.00 0.00 H ATOM 142 HA LYS A 10 4.160 5.809 2.990 1.00 0.00 H ATOM 143 HB2 LYS A 10 4.971 5.250 5.839 1.00 0.00 H ATOM 144 HB3 LYS A 10 3.527 6.074 5.269 1.00 0.00 H ATOM 145 HG2 LYS A 10 2.714 3.971 4.311 1.00 0.00 H ATOM 146 HG3 LYS A 10 4.154 3.150 4.915 1.00 0.00 H ATOM 147 HD2 LYS A 10 3.485 3.925 7.220 1.00 0.00 H ATOM 148 HD3 LYS A 10 1.951 4.439 6.516 1.00 0.00 H ATOM 149 HE2 LYS A 10 2.936 1.649 6.086 1.00 0.00 H ATOM 150 HE3 LYS A 10 2.159 2.081 7.608 1.00 0.00 H ATOM 151 HZ1 LYS A 10 0.321 1.509 6.465 1.00 0.00 H ATOM 152 HZ2 LYS A 10 1.012 1.809 4.951 1.00 0.00 H ATOM 153 HZ3 LYS A 10 0.421 3.093 5.879 1.00 0.00 H ATOM 154 N PHE A 11 6.856 6.574 4.750 1.00 0.00 N ATOM 155 CA PHE A 11 7.844 7.622 4.985 1.00 0.00 C ATOM 156 C PHE A 11 8.945 7.577 3.932 1.00 0.00 C ATOM 157 O PHE A 11 9.774 6.667 3.923 1.00 0.00 O ATOM 158 CB PHE A 11 8.451 7.475 6.381 1.00 0.00 C ATOM 159 CG PHE A 11 7.679 8.192 7.450 1.00 0.00 C ATOM 160 CD1 PHE A 11 7.860 9.550 7.662 1.00 0.00 C ATOM 161 CD2 PHE A 11 6.771 7.511 8.244 1.00 0.00 C ATOM 162 CE1 PHE A 11 7.152 10.213 8.645 1.00 0.00 C ATOM 163 CE2 PHE A 11 6.059 8.169 9.228 1.00 0.00 C ATOM 164 CZ PHE A 11 6.249 9.523 9.429 1.00 0.00 C ATOM 165 H PHE A 11 6.919 5.736 5.253 1.00 0.00 H ATOM 166 HA PHE A 11 7.338 8.573 4.921 1.00 0.00 H ATOM 167 HB2 PHE A 11 8.485 6.427 6.643 1.00 0.00 H ATOM 168 HB3 PHE A 11 9.456 7.871 6.372 1.00 0.00 H ATOM 169 HD1 PHE A 11 8.566 10.091 7.049 1.00 0.00 H ATOM 170 HD2 PHE A 11 6.621 6.453 8.088 1.00 0.00 H ATOM 171 HE1 PHE A 11 7.303 11.272 8.800 1.00 0.00 H ATOM 172 HE2 PHE A 11 5.353 7.627 9.841 1.00 0.00 H ATOM 173 HZ PHE A 11 5.694 10.039 10.198 1.00 0.00 H ATOM 174 N ALA A 12 8.948 8.567 3.044 1.00 0.00 N ATOM 175 CA ALA A 12 9.948 8.641 1.986 1.00 0.00 C ATOM 176 C ALA A 12 11.063 9.613 2.352 1.00 0.00 C ATOM 177 O ALA A 12 12.178 9.523 1.835 1.00 0.00 O ATOM 178 CB ALA A 12 9.297 9.050 0.673 1.00 0.00 C ATOM 179 H ALA A 12 8.262 9.263 3.102 1.00 0.00 H ATOM 180 HA ALA A 12 10.371 7.654 1.857 1.00 0.00 H ATOM 181 HB1 ALA A 12 10.054 9.141 -0.091 1.00 0.00 H ATOM 182 HB2 ALA A 12 8.798 10.000 0.800 1.00 0.00 H ATOM 183 HB3 ALA A 12 8.577 8.301 0.379 1.00 0.00 H HETATM 184 N NH2 A 13 10.775 10.552 3.245 1.00 0.00 N TER 185 NH2 A 13 HETATM 186 RH RH3 A 14 -1.199 -2.185 -5.673 1.00 0.00 RH HETATM 187 RH RH3 A 15 -0.604 -0.446 -7.191 1.00 0.00 RH HETATM 188 C ACT A 16 1.408 -2.438 -6.812 1.00 0.00 C HETATM 189 O ACT A 16 0.621 -3.026 -6.007 1.00 0.00 O HETATM 190 OXT ACT A 16 1.189 -1.364 -7.456 1.00 0.00 O HETATM 191 CH3 ACT A 16 2.750 -3.092 -7.035 1.00 0.00 C HETATM 192 H1 ACT A 16 3.312 -2.523 -7.762 1.00 0.00 H HETATM 193 H2 ACT A 16 2.605 -4.098 -7.401 1.00 0.00 H HETATM 194 H3 ACT A 16 3.295 -3.123 -6.103 1.00 0.00 H HETATM 195 C ACT A 17 -1.913 -2.685 -8.391 1.00 0.00 C HETATM 196 O ACT A 17 -1.972 -3.220 -7.241 1.00 0.00 O HETATM 197 OXT ACT A 17 -1.405 -1.559 -8.692 1.00 0.00 O HETATM 198 CH3 ACT A 17 -2.504 -3.482 -9.530 1.00 0.00 C HETATM 199 H1 ACT A 17 -3.580 -3.373 -9.524 1.00 0.00 H HETATM 200 H2 ACT A 17 -2.248 -4.525 -9.410 1.00 0.00 H HETATM 201 H3 ACT A 17 -2.110 -3.119 -10.467 1.00 0.00 H ENDMDL MODEL 10 ATOM 1 N PRO A 1 -13.357 -5.117 -2.675 1.00 0.00 N ATOM 2 CA PRO A 1 -13.189 -5.198 -4.153 1.00 0.00 C ATOM 3 C PRO A 1 -12.203 -4.153 -4.671 1.00 0.00 C ATOM 4 O PRO A 1 -12.608 -3.112 -5.188 1.00 0.00 O ATOM 5 CB PRO A 1 -14.565 -4.995 -4.784 1.00 0.00 C ATOM 6 CG PRO A 1 -15.445 -4.625 -3.638 1.00 0.00 C ATOM 7 CD PRO A 1 -14.801 -5.204 -2.402 1.00 0.00 C ATOM 8 H2 PRO A 1 -12.864 -4.240 -2.440 1.00 0.00 H ATOM 9 H3 PRO A 1 -12.713 -5.877 -2.351 1.00 0.00 H ATOM 10 HA PRO A 1 -12.825 -6.183 -4.405 1.00 0.00 H ATOM 11 HB2 PRO A 1 -14.516 -4.207 -5.520 1.00 0.00 H ATOM 12 HB3 PRO A 1 -14.891 -5.913 -5.250 1.00 0.00 H ATOM 13 HG2 PRO A 1 -15.507 -3.550 -3.557 1.00 0.00 H ATOM 14 HG3 PRO A 1 -16.429 -5.048 -3.780 1.00 0.00 H ATOM 15 HD2 PRO A 1 -15.062 -4.619 -1.532 1.00 0.00 H ATOM 16 HD3 PRO A 1 -15.102 -6.233 -2.268 1.00 0.00 H ATOM 17 N PHE A 2 -10.908 -4.434 -4.494 1.00 0.00 N ATOM 18 CA PHE A 2 -9.831 -3.532 -4.909 1.00 0.00 C ATOM 19 C PHE A 2 -9.473 -2.558 -3.782 1.00 0.00 C ATOM 20 O PHE A 2 -9.631 -2.893 -2.608 1.00 0.00 O ATOM 21 CB PHE A 2 -10.204 -2.780 -6.195 1.00 0.00 C ATOM 22 CG PHE A 2 -9.149 -2.876 -7.260 1.00 0.00 C ATOM 23 CD1 PHE A 2 -8.763 -4.112 -7.749 1.00 0.00 C ATOM 24 CD2 PHE A 2 -8.549 -1.738 -7.776 1.00 0.00 C ATOM 25 CE1 PHE A 2 -7.798 -4.214 -8.732 1.00 0.00 C ATOM 26 CE2 PHE A 2 -7.584 -1.832 -8.758 1.00 0.00 C ATOM 27 CZ PHE A 2 -7.208 -3.072 -9.239 1.00 0.00 C ATOM 28 H PHE A 2 -10.669 -5.265 -4.040 1.00 0.00 H ATOM 29 HA PHE A 2 -8.968 -4.150 -5.123 1.00 0.00 H ATOM 30 HB2 PHE A 2 -11.112 -3.198 -6.601 1.00 0.00 H ATOM 31 HB3 PHE A 2 -10.363 -1.739 -5.969 1.00 0.00 H ATOM 32 HD1 PHE A 2 -9.225 -5.006 -7.352 1.00 0.00 H ATOM 33 HD2 PHE A 2 -8.837 -0.770 -7.402 1.00 0.00 H ATOM 34 HE1 PHE A 2 -7.504 -5.184 -9.104 1.00 0.00 H ATOM 35 HE2 PHE A 2 -7.125 -0.938 -9.152 1.00 0.00 H ATOM 36 HZ PHE A 2 -6.454 -3.147 -10.007 1.00 0.00 H ATOM 37 N ALA A 3 -8.982 -1.362 -4.144 1.00 0.00 N ATOM 38 CA ALA A 3 -8.585 -0.328 -3.175 1.00 0.00 C ATOM 39 C ALA A 3 -7.069 -0.203 -3.138 1.00 0.00 C ATOM 40 O ALA A 3 -6.415 -0.657 -2.199 1.00 0.00 O ATOM 41 CB ALA A 3 -9.128 -0.606 -1.777 1.00 0.00 C ATOM 42 H ALA A 3 -8.871 -1.168 -5.099 1.00 0.00 H ATOM 43 HA ALA A 3 -8.998 0.612 -3.514 1.00 0.00 H ATOM 44 HB1 ALA A 3 -9.026 0.280 -1.169 1.00 0.00 H ATOM 45 HB2 ALA A 3 -8.572 -1.416 -1.329 1.00 0.00 H ATOM 46 HB3 ALA A 3 -10.172 -0.879 -1.843 1.00 0.00 H ATOM 47 N ASP A 4 -6.521 0.397 -4.185 1.00 0.00 N ATOM 48 CA ASP A 4 -5.082 0.570 -4.313 1.00 0.00 C ATOM 49 C ASP A 4 -4.646 1.942 -3.779 1.00 0.00 C ATOM 50 O ASP A 4 -4.064 2.747 -4.505 1.00 0.00 O ATOM 51 CB ASP A 4 -4.713 0.386 -5.793 1.00 0.00 C ATOM 52 CG ASP A 4 -3.316 -0.164 -6.033 1.00 0.00 C ATOM 53 OD1 ASP A 4 -2.982 -1.204 -5.425 1.00 0.00 O ATOM 54 OD2 ASP A 4 -2.574 0.432 -6.842 1.00 0.00 O ATOM 55 H ASP A 4 -7.103 0.717 -4.907 1.00 0.00 H ATOM 56 HA ASP A 4 -4.618 -0.215 -3.734 1.00 0.00 H ATOM 57 HB2 ASP A 4 -5.408 -0.319 -6.218 1.00 0.00 H ATOM 58 HB3 ASP A 4 -4.824 1.325 -6.313 1.00 0.00 H ATOM 59 N SER A 5 -4.934 2.194 -2.493 1.00 0.00 N ATOM 60 CA SER A 5 -4.575 3.463 -1.843 1.00 0.00 C ATOM 61 C SER A 5 -3.286 3.310 -1.036 1.00 0.00 C ATOM 62 O SER A 5 -2.400 4.163 -1.091 1.00 0.00 O ATOM 63 CB SER A 5 -5.711 3.944 -0.938 1.00 0.00 C ATOM 64 OG SER A 5 -5.928 3.050 0.140 1.00 0.00 O ATOM 65 H SER A 5 -5.391 1.504 -1.968 1.00 0.00 H ATOM 66 HA SER A 5 -4.404 4.193 -2.619 1.00 0.00 H ATOM 67 HB2 SER A 5 -5.463 4.918 -0.544 1.00 0.00 H ATOM 68 HB3 SER A 5 -6.618 4.022 -1.518 1.00 0.00 H ATOM 69 HG SER A 5 -6.379 2.265 -0.180 1.00 0.00 H ATOM 70 N ILE A 6 -3.158 2.177 -0.356 1.00 0.00 N ATOM 71 CA ILE A 6 -1.955 1.848 0.386 1.00 0.00 C ATOM 72 C ILE A 6 -1.226 0.844 -0.470 1.00 0.00 C ATOM 73 O ILE A 6 -1.690 -0.281 -0.648 1.00 0.00 O ATOM 74 CB ILE A 6 -2.252 1.255 1.778 1.00 0.00 C ATOM 75 CG1 ILE A 6 -3.303 2.099 2.505 1.00 0.00 C ATOM 76 CG2 ILE A 6 -0.973 1.165 2.598 1.00 0.00 C ATOM 77 CD1 ILE A 6 -4.643 1.407 2.639 1.00 0.00 C ATOM 78 H ILE A 6 -3.864 1.509 -0.419 1.00 0.00 H ATOM 79 HA ILE A 6 -1.348 2.739 0.480 1.00 0.00 H ATOM 80 HB ILE A 6 -2.634 0.255 1.643 1.00 0.00 H ATOM 81 HG12 ILE A 6 -2.949 2.327 3.499 1.00 0.00 H ATOM 82 HG13 ILE A 6 -3.457 3.019 1.962 1.00 0.00 H ATOM 83 HG21 ILE A 6 -0.830 2.085 3.142 1.00 0.00 H ATOM 84 HG22 ILE A 6 -0.134 1.002 1.938 1.00 0.00 H ATOM 85 HG23 ILE A 6 -1.050 0.342 3.293 1.00 0.00 H ATOM 86 HD11 ILE A 6 -5.051 1.600 3.621 1.00 0.00 H ATOM 87 HD12 ILE A 6 -4.514 0.343 2.506 1.00 0.00 H ATOM 88 HD13 ILE A 6 -5.320 1.785 1.888 1.00 0.00 H ATOM 89 N ASP A 7 -0.143 1.283 -1.088 1.00 0.00 N ATOM 90 CA ASP A 7 0.556 0.427 -2.031 1.00 0.00 C ATOM 91 C ASP A 7 1.999 0.132 -1.628 1.00 0.00 C ATOM 92 O ASP A 7 2.734 -0.534 -2.358 1.00 0.00 O ATOM 93 CB ASP A 7 0.448 1.134 -3.380 1.00 0.00 C ATOM 94 CG ASP A 7 0.031 0.264 -4.530 1.00 0.00 C ATOM 95 OD1 ASP A 7 -0.380 -0.885 -4.272 1.00 0.00 O ATOM 96 OD2 ASP A 7 0.058 0.755 -5.677 1.00 0.00 O ATOM 97 H ASP A 7 0.139 2.210 -0.965 1.00 0.00 H ATOM 98 HA ASP A 7 -0.039 -0.469 -2.053 1.00 0.00 H ATOM 99 HB2 ASP A 7 -0.353 1.856 -3.263 1.00 0.00 H ATOM 100 HB3 ASP A 7 1.335 1.704 -3.592 1.00 0.00 H ATOM 101 N GLY A 8 2.396 0.631 -0.464 1.00 0.00 N ATOM 102 CA GLY A 8 3.749 0.412 0.016 1.00 0.00 C ATOM 103 C GLY A 8 3.812 -0.508 1.218 1.00 0.00 C ATOM 104 O GLY A 8 4.890 -0.777 1.748 1.00 0.00 O ATOM 105 H GLY A 8 1.767 1.154 0.073 1.00 0.00 H ATOM 106 HA2 GLY A 8 4.334 -0.019 -0.779 1.00 0.00 H ATOM 107 HA3 GLY A 8 4.176 1.363 0.288 1.00 0.00 H ATOM 108 N ARG A 9 2.657 -0.990 1.645 1.00 0.00 N ATOM 109 CA ARG A 9 2.575 -1.886 2.793 1.00 0.00 C ATOM 110 C ARG A 9 1.179 -2.486 2.918 1.00 0.00 C ATOM 111 O ARG A 9 0.184 -1.763 2.968 1.00 0.00 O ATOM 112 CB ARG A 9 2.940 -1.139 4.077 1.00 0.00 C ATOM 113 CG ARG A 9 3.180 -2.054 5.267 1.00 0.00 C ATOM 114 CD ARG A 9 4.389 -1.614 6.076 1.00 0.00 C ATOM 115 NE ARG A 9 4.651 -2.507 7.201 1.00 0.00 N ATOM 116 CZ ARG A 9 5.132 -3.743 7.073 1.00 0.00 C ATOM 117 NH1 ARG A 9 5.404 -4.226 5.857 1.00 0.00 N ATOM 118 NH2 ARG A 9 5.336 -4.481 8.165 1.00 0.00 N ATOM 119 H ARG A 9 1.838 -0.736 1.178 1.00 0.00 H ATOM 120 HA ARG A 9 3.285 -2.685 2.640 1.00 0.00 H ATOM 121 HB2 ARG A 9 3.838 -0.565 3.903 1.00 0.00 H ATOM 122 HB3 ARG A 9 2.134 -0.463 4.326 1.00 0.00 H ATOM 123 HG2 ARG A 9 2.308 -2.036 5.904 1.00 0.00 H ATOM 124 HG3 ARG A 9 3.344 -3.059 4.908 1.00 0.00 H ATOM 125 HD2 ARG A 9 5.254 -1.604 5.429 1.00 0.00 H ATOM 126 HD3 ARG A 9 4.211 -0.618 6.452 1.00 0.00 H ATOM 127 HE ARG A 9 4.457 -2.170 8.100 1.00 0.00 H ATOM 128 HH11 ARG A 9 5.245 -3.658 5.050 1.00 0.00 H ATOM 129 HH12 ARG A 9 5.766 -5.152 5.746 1.00 0.00 H ATOM 130 HH21 ARG A 9 5.128 -4.100 9.067 1.00 0.00 H ATOM 131 HH22 ARG A 9 5.698 -5.411 8.093 1.00 0.00 H ATOM 132 N LYS A 10 1.114 -3.813 2.972 1.00 0.00 N ATOM 133 CA LYS A 10 -0.161 -4.511 3.092 1.00 0.00 C ATOM 134 C LYS A 10 0.008 -5.825 3.849 1.00 0.00 C ATOM 135 O LYS A 10 -0.764 -6.134 4.756 1.00 0.00 O ATOM 136 CB LYS A 10 -0.753 -4.779 1.708 1.00 0.00 C ATOM 137 CG LYS A 10 -2.197 -5.253 1.744 1.00 0.00 C ATOM 138 CD LYS A 10 -3.166 -4.084 1.757 1.00 0.00 C ATOM 139 CE LYS A 10 -4.428 -4.398 0.968 1.00 0.00 C ATOM 140 NZ LYS A 10 -4.303 -4.000 -0.461 1.00 0.00 N ATOM 141 H LYS A 10 1.942 -4.334 2.928 1.00 0.00 H ATOM 142 HA LYS A 10 -0.836 -3.875 3.645 1.00 0.00 H ATOM 143 HB2 LYS A 10 -0.710 -3.869 1.128 1.00 0.00 H ATOM 144 HB3 LYS A 10 -0.160 -5.537 1.216 1.00 0.00 H ATOM 145 HG2 LYS A 10 -2.389 -5.859 0.870 1.00 0.00 H ATOM 146 HG3 LYS A 10 -2.347 -5.846 2.636 1.00 0.00 H ATOM 147 HD2 LYS A 10 -3.438 -3.864 2.778 1.00 0.00 H ATOM 148 HD3 LYS A 10 -2.683 -3.223 1.318 1.00 0.00 H ATOM 149 HE2 LYS A 10 -4.615 -5.460 1.022 1.00 0.00 H ATOM 150 HE3 LYS A 10 -5.255 -3.864 1.411 1.00 0.00 H ATOM 151 HZ1 LYS A 10 -3.743 -3.127 -0.542 1.00 0.00 H ATOM 152 HZ2 LYS A 10 -5.244 -3.832 -0.869 1.00 0.00 H ATOM 153 HZ3 LYS A 10 -3.833 -4.753 -1.002 1.00 0.00 H ATOM 154 N PHE A 11 1.024 -6.594 3.470 1.00 0.00 N ATOM 155 CA PHE A 11 1.295 -7.874 4.112 1.00 0.00 C ATOM 156 C PHE A 11 2.539 -7.790 4.989 1.00 0.00 C ATOM 157 O PHE A 11 3.369 -6.895 4.823 1.00 0.00 O ATOM 158 CB PHE A 11 1.472 -8.970 3.059 1.00 0.00 C ATOM 159 CG PHE A 11 0.421 -8.946 1.985 1.00 0.00 C ATOM 160 CD1 PHE A 11 -0.901 -9.231 2.286 1.00 0.00 C ATOM 161 CD2 PHE A 11 0.756 -8.639 0.677 1.00 0.00 C ATOM 162 CE1 PHE A 11 -1.869 -9.210 1.301 1.00 0.00 C ATOM 163 CE2 PHE A 11 -0.208 -8.617 -0.313 1.00 0.00 C ATOM 164 CZ PHE A 11 -1.523 -8.902 0.000 1.00 0.00 C ATOM 165 H PHE A 11 1.605 -6.293 2.740 1.00 0.00 H ATOM 166 HA PHE A 11 0.446 -8.119 4.733 1.00 0.00 H ATOM 167 HB2 PHE A 11 2.434 -8.851 2.584 1.00 0.00 H ATOM 168 HB3 PHE A 11 1.432 -9.934 3.543 1.00 0.00 H ATOM 169 HD1 PHE A 11 -1.173 -9.471 3.304 1.00 0.00 H ATOM 170 HD2 PHE A 11 1.784 -8.415 0.432 1.00 0.00 H ATOM 171 HE1 PHE A 11 -2.897 -9.435 1.548 1.00 0.00 H ATOM 172 HE2 PHE A 11 0.066 -8.375 -1.329 1.00 0.00 H ATOM 173 HZ PHE A 11 -2.279 -8.885 -0.772 1.00 0.00 H ATOM 174 N ALA A 12 2.664 -8.727 5.923 1.00 0.00 N ATOM 175 CA ALA A 12 3.807 -8.759 6.828 1.00 0.00 C ATOM 176 C ALA A 12 4.208 -10.193 7.155 1.00 0.00 C ATOM 177 O ALA A 12 5.360 -10.467 7.492 1.00 0.00 O ATOM 178 CB ALA A 12 3.492 -7.992 8.103 1.00 0.00 C ATOM 179 H ALA A 12 1.969 -9.414 6.007 1.00 0.00 H ATOM 180 HA ALA A 12 4.634 -8.268 6.335 1.00 0.00 H ATOM 181 HB1 ALA A 12 4.388 -7.904 8.700 1.00 0.00 H ATOM 182 HB2 ALA A 12 2.736 -8.522 8.663 1.00 0.00 H ATOM 183 HB3 ALA A 12 3.129 -7.007 7.851 1.00 0.00 H HETATM 184 N NH2 A 13 3.262 -11.120 7.059 1.00 0.00 N TER 185 NH2 A 13 HETATM 186 RH RH3 A 14 -1.106 -2.097 -5.736 1.00 0.00 RH HETATM 187 RH RH3 A 15 -0.644 -0.335 -7.274 1.00 0.00 RH HETATM 188 C ACT A 16 1.482 -2.215 -6.941 1.00 0.00 C HETATM 189 O ACT A 16 0.749 -2.840 -6.113 1.00 0.00 O HETATM 190 OXT ACT A 16 1.190 -1.157 -7.582 1.00 0.00 O HETATM 191 CH3 ACT A 16 2.852 -2.796 -7.196 1.00 0.00 C HETATM 192 H1 ACT A 16 2.806 -3.468 -8.041 1.00 0.00 H HETATM 193 H2 ACT A 16 3.181 -3.339 -6.322 1.00 0.00 H HETATM 194 H3 ACT A 16 3.548 -1.997 -7.408 1.00 0.00 H HETATM 195 C ACT A 17 -1.858 -2.645 -8.434 1.00 0.00 C HETATM 196 O ACT A 17 -1.861 -3.178 -7.281 1.00 0.00 O HETATM 197 OXT ACT A 17 -1.421 -1.495 -8.751 1.00 0.00 O HETATM 198 CH3 ACT A 17 -2.435 -3.476 -9.555 1.00 0.00 C HETATM 199 H1 ACT A 17 -3.513 -3.382 -9.553 1.00 0.00 H HETATM 200 H2 ACT A 17 -2.163 -4.511 -9.412 1.00 0.00 H HETATM 201 H3 ACT A 17 -2.046 -3.127 -10.499 1.00 0.00 H ENDMDL MODEL 11 ATOM 1 N PRO A 1 -14.527 -5.003 -4.440 1.00 0.00 N ATOM 2 CA PRO A 1 -13.131 -5.242 -3.982 1.00 0.00 C ATOM 3 C PRO A 1 -12.168 -4.187 -4.526 1.00 0.00 C ATOM 4 O PRO A 1 -12.597 -3.155 -5.040 1.00 0.00 O ATOM 5 CB PRO A 1 -12.722 -6.633 -4.457 1.00 0.00 C ATOM 6 CG PRO A 1 -13.852 -7.076 -5.323 1.00 0.00 C ATOM 7 CD PRO A 1 -15.068 -6.306 -4.863 1.00 0.00 C ATOM 8 H2 PRO A 1 -14.409 -4.264 -5.152 1.00 0.00 H ATOM 9 H3 PRO A 1 -14.936 -4.509 -3.612 1.00 0.00 H ATOM 10 HA PRO A 1 -13.113 -5.215 -2.903 1.00 0.00 H ATOM 11 HB2 PRO A 1 -11.796 -6.573 -5.010 1.00 0.00 H ATOM 12 HB3 PRO A 1 -12.599 -7.287 -3.606 1.00 0.00 H ATOM 13 HG2 PRO A 1 -13.634 -6.847 -6.356 1.00 0.00 H ATOM 14 HG3 PRO A 1 -14.014 -8.137 -5.201 1.00 0.00 H ATOM 15 HD2 PRO A 1 -15.765 -6.184 -5.679 1.00 0.00 H ATOM 16 HD3 PRO A 1 -15.541 -6.811 -4.035 1.00 0.00 H ATOM 17 N PHE A 2 -10.866 -4.452 -4.375 1.00 0.00 N ATOM 18 CA PHE A 2 -9.808 -3.540 -4.816 1.00 0.00 C ATOM 19 C PHE A 2 -9.437 -2.557 -3.700 1.00 0.00 C ATOM 20 O PHE A 2 -9.557 -2.891 -2.523 1.00 0.00 O ATOM 21 CB PHE A 2 -10.217 -2.797 -6.098 1.00 0.00 C ATOM 22 CG PHE A 2 -9.181 -2.885 -7.182 1.00 0.00 C ATOM 23 CD1 PHE A 2 -8.796 -4.119 -7.678 1.00 0.00 C ATOM 24 CD2 PHE A 2 -8.598 -1.744 -7.708 1.00 0.00 C ATOM 25 CE1 PHE A 2 -7.848 -4.213 -8.679 1.00 0.00 C ATOM 26 CE2 PHE A 2 -7.652 -1.831 -8.709 1.00 0.00 C ATOM 27 CZ PHE A 2 -7.276 -3.067 -9.195 1.00 0.00 C ATOM 28 H PHE A 2 -10.608 -5.277 -3.922 1.00 0.00 H ATOM 29 HA PHE A 2 -8.944 -4.148 -5.047 1.00 0.00 H ATOM 30 HB2 PHE A 2 -11.127 -3.229 -6.483 1.00 0.00 H ATOM 31 HB3 PHE A 2 -10.384 -1.757 -5.872 1.00 0.00 H ATOM 32 HD1 PHE A 2 -9.244 -5.015 -7.271 1.00 0.00 H ATOM 33 HD2 PHE A 2 -8.885 -0.777 -7.329 1.00 0.00 H ATOM 34 HE1 PHE A 2 -7.556 -5.182 -9.057 1.00 0.00 H ATOM 35 HE2 PHE A 2 -7.206 -0.932 -9.111 1.00 0.00 H ATOM 36 HZ PHE A 2 -6.536 -3.138 -9.979 1.00 0.00 H ATOM 37 N ALA A 3 -8.974 -1.355 -4.078 1.00 0.00 N ATOM 38 CA ALA A 3 -8.565 -0.314 -3.123 1.00 0.00 C ATOM 39 C ALA A 3 -7.049 -0.188 -3.107 1.00 0.00 C ATOM 40 O ALA A 3 -6.382 -0.639 -2.176 1.00 0.00 O ATOM 41 CB ALA A 3 -9.091 -0.584 -1.717 1.00 0.00 C ATOM 42 H ALA A 3 -8.890 -1.162 -5.036 1.00 0.00 H ATOM 43 HA ALA A 3 -8.984 0.624 -3.463 1.00 0.00 H ATOM 44 HB1 ALA A 3 -10.129 -0.876 -1.770 1.00 0.00 H ATOM 45 HB2 ALA A 3 -9.000 0.312 -1.120 1.00 0.00 H ATOM 46 HB3 ALA A 3 -8.516 -1.378 -1.263 1.00 0.00 H ATOM 47 N ASP A 4 -6.516 0.408 -4.165 1.00 0.00 N ATOM 48 CA ASP A 4 -5.079 0.580 -4.312 1.00 0.00 C ATOM 49 C ASP A 4 -4.634 1.952 -3.783 1.00 0.00 C ATOM 50 O ASP A 4 -4.046 2.750 -4.512 1.00 0.00 O ATOM 51 CB ASP A 4 -4.730 0.396 -5.798 1.00 0.00 C ATOM 52 CG ASP A 4 -3.338 -0.156 -6.055 1.00 0.00 C ATOM 53 OD1 ASP A 4 -3.001 -1.203 -5.461 1.00 0.00 O ATOM 54 OD2 ASP A 4 -2.602 0.446 -6.868 1.00 0.00 O ATOM 55 H ASP A 4 -7.108 0.724 -4.879 1.00 0.00 H ATOM 56 HA ASP A 4 -4.608 -0.204 -3.741 1.00 0.00 H ATOM 57 HB2 ASP A 4 -5.433 -0.309 -6.213 1.00 0.00 H ATOM 58 HB3 ASP A 4 -4.847 1.335 -6.317 1.00 0.00 H ATOM 59 N SER A 5 -4.919 2.207 -2.499 1.00 0.00 N ATOM 60 CA SER A 5 -4.550 3.474 -1.850 1.00 0.00 C ATOM 61 C SER A 5 -3.254 3.311 -1.057 1.00 0.00 C ATOM 62 O SER A 5 -2.362 4.157 -1.119 1.00 0.00 O ATOM 63 CB SER A 5 -5.675 3.958 -0.933 1.00 0.00 C ATOM 64 OG SER A 5 -5.885 3.064 0.146 1.00 0.00 O ATOM 65 H SER A 5 -5.379 1.522 -1.972 1.00 0.00 H ATOM 66 HA SER A 5 -4.381 4.205 -2.627 1.00 0.00 H ATOM 67 HB2 SER A 5 -5.420 4.931 -0.540 1.00 0.00 H ATOM 68 HB3 SER A 5 -6.588 4.041 -1.504 1.00 0.00 H ATOM 69 HG SER A 5 -5.329 3.319 0.886 1.00 0.00 H ATOM 70 N ILE A 6 -3.130 2.177 -0.380 1.00 0.00 N ATOM 71 CA ILE A 6 -1.923 1.835 0.350 1.00 0.00 C ATOM 72 C ILE A 6 -1.217 0.821 -0.513 1.00 0.00 C ATOM 73 O ILE A 6 -1.703 -0.296 -0.693 1.00 0.00 O ATOM 74 CB ILE A 6 -2.214 1.248 1.744 1.00 0.00 C ATOM 75 CG1 ILE A 6 -3.065 2.218 2.565 1.00 0.00 C ATOM 76 CG2 ILE A 6 -0.912 0.933 2.469 1.00 0.00 C ATOM 77 CD1 ILE A 6 -4.092 1.530 3.438 1.00 0.00 C ATOM 78 H ILE A 6 -3.841 1.515 -0.437 1.00 0.00 H ATOM 79 HA ILE A 6 -1.304 2.718 0.437 1.00 0.00 H ATOM 80 HB ILE A 6 -2.757 0.323 1.615 1.00 0.00 H ATOM 81 HG12 ILE A 6 -2.421 2.798 3.207 1.00 0.00 H ATOM 82 HG13 ILE A 6 -3.590 2.881 1.893 1.00 0.00 H ATOM 83 HG21 ILE A 6 -0.357 0.196 1.907 1.00 0.00 H ATOM 84 HG22 ILE A 6 -1.132 0.546 3.452 1.00 0.00 H ATOM 85 HG23 ILE A 6 -0.325 1.835 2.559 1.00 0.00 H ATOM 86 HD11 ILE A 6 -4.938 1.234 2.835 1.00 0.00 H ATOM 87 HD12 ILE A 6 -4.423 2.210 4.210 1.00 0.00 H ATOM 88 HD13 ILE A 6 -3.651 0.656 3.892 1.00 0.00 H ATOM 89 N ASP A 7 -0.130 1.241 -1.135 1.00 0.00 N ATOM 90 CA ASP A 7 0.550 0.376 -2.083 1.00 0.00 C ATOM 91 C ASP A 7 1.983 0.039 -1.677 1.00 0.00 C ATOM 92 O ASP A 7 2.714 -0.612 -2.424 1.00 0.00 O ATOM 93 CB ASP A 7 0.465 1.095 -3.426 1.00 0.00 C ATOM 94 CG ASP A 7 0.031 0.241 -4.583 1.00 0.00 C ATOM 95 OD1 ASP A 7 -0.385 -0.908 -4.332 1.00 0.00 O ATOM 96 OD2 ASP A 7 0.050 0.745 -5.724 1.00 0.00 O ATOM 97 H ASP A 7 0.171 2.161 -1.009 1.00 0.00 H ATOM 98 HA ASP A 7 -0.069 -0.504 -2.115 1.00 0.00 H ATOM 99 HB2 ASP A 7 -0.316 1.837 -3.304 1.00 0.00 H ATOM 100 HB3 ASP A 7 1.367 1.644 -3.631 1.00 0.00 H ATOM 101 N GLY A 8 2.373 0.484 -0.490 1.00 0.00 N ATOM 102 CA GLY A 8 3.711 0.219 0.000 1.00 0.00 C ATOM 103 C GLY A 8 3.735 -0.041 1.488 1.00 0.00 C ATOM 104 O GLY A 8 3.421 0.838 2.292 1.00 0.00 O ATOM 105 H GLY A 8 1.747 0.993 0.062 1.00 0.00 H ATOM 106 HA2 GLY A 8 4.105 -0.646 -0.512 1.00 0.00 H ATOM 107 HA3 GLY A 8 4.340 1.066 -0.215 1.00 0.00 H ATOM 108 N ARG A 9 4.109 -1.256 1.851 1.00 0.00 N ATOM 109 CA ARG A 9 4.178 -1.655 3.252 1.00 0.00 C ATOM 110 C ARG A 9 5.285 -2.681 3.470 1.00 0.00 C ATOM 111 O ARG A 9 5.219 -3.799 2.958 1.00 0.00 O ATOM 112 CB ARG A 9 2.836 -2.232 3.705 1.00 0.00 C ATOM 113 CG ARG A 9 2.670 -2.274 5.216 1.00 0.00 C ATOM 114 CD ARG A 9 1.258 -1.894 5.634 1.00 0.00 C ATOM 115 NE ARG A 9 0.765 -2.733 6.724 1.00 0.00 N ATOM 116 CZ ARG A 9 1.283 -2.738 7.951 1.00 0.00 C ATOM 117 NH1 ARG A 9 2.318 -1.941 8.239 1.00 0.00 N ATOM 118 NH2 ARG A 9 0.759 -3.541 8.879 1.00 0.00 N ATOM 119 H ARG A 9 4.342 -1.901 1.156 1.00 0.00 H ATOM 120 HA ARG A 9 4.397 -0.775 3.837 1.00 0.00 H ATOM 121 HB2 ARG A 9 2.040 -1.628 3.294 1.00 0.00 H ATOM 122 HB3 ARG A 9 2.744 -3.240 3.327 1.00 0.00 H ATOM 123 HG2 ARG A 9 2.880 -3.274 5.564 1.00 0.00 H ATOM 124 HG3 ARG A 9 3.368 -1.581 5.664 1.00 0.00 H ATOM 125 HD2 ARG A 9 1.258 -0.863 5.959 1.00 0.00 H ATOM 126 HD3 ARG A 9 0.602 -2.002 4.783 1.00 0.00 H ATOM 127 HE ARG A 9 0.008 -3.323 6.532 1.00 0.00 H ATOM 128 HH11 ARG A 9 2.698 -1.346 7.530 1.00 0.00 H ATOM 129 HH12 ARG A 9 2.717 -1.935 9.156 1.00 0.00 H ATOM 130 HH21 ARG A 9 -0.015 -4.130 8.644 1.00 0.00 H ATOM 131 HH22 ARG A 9 1.133 -3.562 9.806 1.00 0.00 H ATOM 132 N LYS A 10 6.300 -2.293 4.234 1.00 0.00 N ATOM 133 CA LYS A 10 7.423 -3.179 4.522 1.00 0.00 C ATOM 134 C LYS A 10 7.425 -3.596 5.990 1.00 0.00 C ATOM 135 O LYS A 10 7.240 -4.769 6.312 1.00 0.00 O ATOM 136 CB LYS A 10 8.744 -2.492 4.170 1.00 0.00 C ATOM 137 CG LYS A 10 9.311 -2.916 2.825 1.00 0.00 C ATOM 138 CD LYS A 10 8.329 -2.646 1.696 1.00 0.00 C ATOM 139 CE LYS A 10 8.623 -3.512 0.483 1.00 0.00 C ATOM 140 NZ LYS A 10 9.420 -2.782 -0.542 1.00 0.00 N ATOM 141 H LYS A 10 6.295 -1.390 4.614 1.00 0.00 H ATOM 142 HA LYS A 10 7.313 -4.062 3.910 1.00 0.00 H ATOM 143 HB2 LYS A 10 8.587 -1.423 4.150 1.00 0.00 H ATOM 144 HB3 LYS A 10 9.473 -2.724 4.933 1.00 0.00 H ATOM 145 HG2 LYS A 10 10.220 -2.363 2.638 1.00 0.00 H ATOM 146 HG3 LYS A 10 9.530 -3.974 2.855 1.00 0.00 H ATOM 147 HD2 LYS A 10 7.329 -2.858 2.044 1.00 0.00 H ATOM 148 HD3 LYS A 10 8.402 -1.606 1.412 1.00 0.00 H ATOM 149 HE2 LYS A 10 9.178 -4.382 0.804 1.00 0.00 H ATOM 150 HE3 LYS A 10 7.687 -3.825 0.044 1.00 0.00 H ATOM 151 HZ1 LYS A 10 9.572 -3.387 -1.374 1.00 0.00 H ATOM 152 HZ2 LYS A 10 10.344 -2.512 -0.150 1.00 0.00 H ATOM 153 HZ3 LYS A 10 8.916 -1.921 -0.838 1.00 0.00 H ATOM 154 N PHE A 11 7.634 -2.627 6.874 1.00 0.00 N ATOM 155 CA PHE A 11 7.661 -2.893 8.307 1.00 0.00 C ATOM 156 C PHE A 11 6.250 -2.877 8.890 1.00 0.00 C ATOM 157 O PHE A 11 5.439 -2.014 8.553 1.00 0.00 O ATOM 158 CB PHE A 11 8.537 -1.862 9.023 1.00 0.00 C ATOM 159 CG PHE A 11 9.662 -2.472 9.809 1.00 0.00 C ATOM 160 CD1 PHE A 11 10.663 -3.187 9.170 1.00 0.00 C ATOM 161 CD2 PHE A 11 9.717 -2.332 11.186 1.00 0.00 C ATOM 162 CE1 PHE A 11 11.698 -3.749 9.890 1.00 0.00 C ATOM 163 CE2 PHE A 11 10.752 -2.893 11.912 1.00 0.00 C ATOM 164 CZ PHE A 11 11.744 -3.603 11.263 1.00 0.00 C ATOM 165 H PHE A 11 7.775 -1.710 6.556 1.00 0.00 H ATOM 166 HA PHE A 11 8.085 -3.875 8.453 1.00 0.00 H ATOM 167 HB2 PHE A 11 8.969 -1.197 8.289 1.00 0.00 H ATOM 168 HB3 PHE A 11 7.926 -1.288 9.705 1.00 0.00 H ATOM 169 HD1 PHE A 11 10.629 -3.302 8.097 1.00 0.00 H ATOM 170 HD2 PHE A 11 8.943 -1.778 11.695 1.00 0.00 H ATOM 171 HE1 PHE A 11 12.473 -4.303 9.380 1.00 0.00 H ATOM 172 HE2 PHE A 11 10.784 -2.776 12.985 1.00 0.00 H ATOM 173 HZ PHE A 11 12.553 -4.042 11.828 1.00 0.00 H ATOM 174 N ALA A 12 5.965 -3.836 9.764 1.00 0.00 N ATOM 175 CA ALA A 12 4.653 -3.932 10.393 1.00 0.00 C ATOM 176 C ALA A 12 4.768 -3.881 11.913 1.00 0.00 C ATOM 177 O ALA A 12 3.901 -3.336 12.596 1.00 0.00 O ATOM 178 CB ALA A 12 3.953 -5.211 9.958 1.00 0.00 C ATOM 179 H ALA A 12 6.654 -4.495 9.993 1.00 0.00 H ATOM 180 HA ALA A 12 4.061 -3.093 10.059 1.00 0.00 H ATOM 181 HB1 ALA A 12 3.457 -5.045 9.014 1.00 0.00 H ATOM 182 HB2 ALA A 12 3.223 -5.492 10.703 1.00 0.00 H ATOM 183 HB3 ALA A 12 4.680 -6.001 9.850 1.00 0.00 H HETATM 184 N NH2 A 13 5.840 -4.448 12.455 1.00 0.00 N TER 185 NH2 A 13 HETATM 186 RH RH3 A 14 -1.133 -2.102 -5.796 1.00 0.00 RH HETATM 187 RH RH3 A 15 -0.678 -0.329 -7.324 1.00 0.00 RH HETATM 188 C ACT A 16 1.441 -2.222 -7.030 1.00 0.00 C HETATM 189 O ACT A 16 0.713 -2.851 -6.199 1.00 0.00 O HETATM 190 OXT ACT A 16 1.148 -1.158 -7.658 1.00 0.00 O HETATM 191 CH3 ACT A 16 2.805 -2.809 -7.304 1.00 0.00 C HETATM 192 H1 ACT A 16 3.532 -2.013 -7.378 1.00 0.00 H HETATM 193 H2 ACT A 16 2.780 -3.360 -8.233 1.00 0.00 H HETATM 194 H3 ACT A 16 3.081 -3.473 -6.498 1.00 0.00 H HETATM 195 C ACT A 17 -1.917 -2.623 -8.492 1.00 0.00 C HETATM 196 O ACT A 17 -1.910 -3.165 -7.343 1.00 0.00 O HETATM 197 OXT ACT A 17 -1.476 -1.472 -8.803 1.00 0.00 O HETATM 198 CH3 ACT A 17 -2.508 -3.442 -9.613 1.00 0.00 C HETATM 199 H1 ACT A 17 -3.587 -3.360 -9.585 1.00 0.00 H HETATM 200 H2 ACT A 17 -2.222 -4.476 -9.494 1.00 0.00 H HETATM 201 H3 ACT A 17 -2.146 -3.072 -10.560 1.00 0.00 H ENDMDL MODEL 12 ATOM 1 N PRO A 1 -11.088 -7.770 -4.876 1.00 0.00 N ATOM 2 CA PRO A 1 -11.001 -6.684 -3.862 1.00 0.00 C ATOM 3 C PRO A 1 -9.977 -5.621 -4.258 1.00 0.00 C ATOM 4 O PRO A 1 -8.771 -5.818 -4.103 1.00 0.00 O ATOM 5 CB PRO A 1 -10.617 -7.324 -2.531 1.00 0.00 C ATOM 6 CG PRO A 1 -10.302 -8.740 -2.882 1.00 0.00 C ATOM 7 CD PRO A 1 -11.075 -9.047 -4.141 1.00 0.00 C ATOM 8 H2 PRO A 1 -10.296 -7.557 -5.506 1.00 0.00 H ATOM 9 H3 PRO A 1 -11.937 -7.483 -5.416 1.00 0.00 H ATOM 10 HA PRO A 1 -11.971 -6.222 -3.768 1.00 0.00 H ATOM 11 HB2 PRO A 1 -9.758 -6.817 -2.115 1.00 0.00 H ATOM 12 HB3 PRO A 1 -11.448 -7.264 -1.846 1.00 0.00 H ATOM 13 HG2 PRO A 1 -9.242 -8.845 -3.060 1.00 0.00 H ATOM 14 HG3 PRO A 1 -10.615 -9.393 -2.082 1.00 0.00 H ATOM 15 HD2 PRO A 1 -10.572 -9.812 -4.714 1.00 0.00 H ATOM 16 HD3 PRO A 1 -12.081 -9.357 -3.899 1.00 0.00 H ATOM 17 N PHE A 2 -10.464 -4.496 -4.768 1.00 0.00 N ATOM 18 CA PHE A 2 -9.594 -3.405 -5.184 1.00 0.00 C ATOM 19 C PHE A 2 -9.253 -2.488 -4.002 1.00 0.00 C ATOM 20 O PHE A 2 -9.184 -2.949 -2.863 1.00 0.00 O ATOM 21 CB PHE A 2 -10.243 -2.623 -6.329 1.00 0.00 C ATOM 22 CG PHE A 2 -9.371 -2.538 -7.545 1.00 0.00 C ATOM 23 CD1 PHE A 2 -9.236 -3.629 -8.384 1.00 0.00 C ATOM 24 CD2 PHE A 2 -8.683 -1.375 -7.845 1.00 0.00 C ATOM 25 CE1 PHE A 2 -8.431 -3.563 -9.505 1.00 0.00 C ATOM 26 CE2 PHE A 2 -7.875 -1.301 -8.962 1.00 0.00 C ATOM 27 CZ PHE A 2 -7.749 -2.397 -9.796 1.00 0.00 C ATOM 28 H PHE A 2 -11.433 -4.396 -4.866 1.00 0.00 H ATOM 29 HA PHE A 2 -8.675 -3.847 -5.542 1.00 0.00 H ATOM 30 HB2 PHE A 2 -11.162 -3.113 -6.615 1.00 0.00 H ATOM 31 HB3 PHE A 2 -10.466 -1.619 -6.002 1.00 0.00 H ATOM 32 HD1 PHE A 2 -9.770 -4.540 -8.152 1.00 0.00 H ATOM 33 HD2 PHE A 2 -8.779 -0.520 -7.197 1.00 0.00 H ATOM 34 HE1 PHE A 2 -8.335 -4.421 -10.153 1.00 0.00 H ATOM 35 HE2 PHE A 2 -7.343 -0.388 -9.185 1.00 0.00 H ATOM 36 HZ PHE A 2 -7.119 -2.343 -10.670 1.00 0.00 H ATOM 37 N ALA A 3 -9.010 -1.200 -4.284 1.00 0.00 N ATOM 38 CA ALA A 3 -8.642 -0.220 -3.257 1.00 0.00 C ATOM 39 C ALA A 3 -7.127 -0.113 -3.181 1.00 0.00 C ATOM 40 O ALA A 3 -6.500 -0.577 -2.228 1.00 0.00 O ATOM 41 CB ALA A 3 -9.226 -0.578 -1.894 1.00 0.00 C ATOM 42 H ALA A 3 -9.054 -0.901 -5.216 1.00 0.00 H ATOM 43 HA ALA A 3 -9.042 0.739 -3.557 1.00 0.00 H ATOM 44 HB1 ALA A 3 -9.401 0.327 -1.330 1.00 0.00 H ATOM 45 HB2 ALA A 3 -8.531 -1.208 -1.359 1.00 0.00 H ATOM 46 HB3 ALA A 3 -10.159 -1.104 -2.030 1.00 0.00 H ATOM 47 N ASP A 4 -6.547 0.475 -4.221 1.00 0.00 N ATOM 48 CA ASP A 4 -5.102 0.621 -4.323 1.00 0.00 C ATOM 49 C ASP A 4 -4.643 1.971 -3.750 1.00 0.00 C ATOM 50 O ASP A 4 -4.063 2.793 -4.460 1.00 0.00 O ATOM 51 CB ASP A 4 -4.717 0.462 -5.804 1.00 0.00 C ATOM 52 CG ASP A 4 -3.347 -0.147 -6.042 1.00 0.00 C ATOM 53 OD1 ASP A 4 -3.059 -1.199 -5.432 1.00 0.00 O ATOM 54 OD2 ASP A 4 -2.580 0.414 -6.854 1.00 0.00 O ATOM 55 H ASP A 4 -7.109 0.797 -4.957 1.00 0.00 H ATOM 56 HA ASP A 4 -4.670 -0.189 -3.757 1.00 0.00 H ATOM 57 HB2 ASP A 4 -5.440 -0.199 -6.259 1.00 0.00 H ATOM 58 HB3 ASP A 4 -4.783 1.419 -6.298 1.00 0.00 H ATOM 59 N SER A 5 -4.909 2.186 -2.454 1.00 0.00 N ATOM 60 CA SER A 5 -4.526 3.430 -1.771 1.00 0.00 C ATOM 61 C SER A 5 -3.232 3.236 -0.982 1.00 0.00 C ATOM 62 O SER A 5 -2.328 4.070 -1.033 1.00 0.00 O ATOM 63 CB SER A 5 -5.646 3.899 -0.841 1.00 0.00 C ATOM 64 OG SER A 5 -5.863 2.978 0.213 1.00 0.00 O ATOM 65 H SER A 5 -5.366 1.485 -1.944 1.00 0.00 H ATOM 66 HA SER A 5 -4.353 4.180 -2.527 1.00 0.00 H ATOM 67 HB2 SER A 5 -5.381 4.858 -0.421 1.00 0.00 H ATOM 68 HB3 SER A 5 -6.558 4.007 -1.409 1.00 0.00 H ATOM 69 HG SER A 5 -6.376 2.234 -0.111 1.00 0.00 H ATOM 70 N ILE A 6 -3.124 2.091 -0.320 1.00 0.00 N ATOM 71 CA ILE A 6 -1.922 1.724 0.406 1.00 0.00 C ATOM 72 C ILE A 6 -1.230 0.704 -0.464 1.00 0.00 C ATOM 73 O ILE A 6 -1.737 -0.402 -0.654 1.00 0.00 O ATOM 74 CB ILE A 6 -2.221 1.132 1.797 1.00 0.00 C ATOM 75 CG1 ILE A 6 -3.163 2.050 2.576 1.00 0.00 C ATOM 76 CG2 ILE A 6 -0.928 0.912 2.568 1.00 0.00 C ATOM 77 CD1 ILE A 6 -4.193 1.305 3.397 1.00 0.00 C ATOM 78 H ILE A 6 -3.846 1.443 -0.384 1.00 0.00 H ATOM 79 HA ILE A 6 -1.288 2.596 0.499 1.00 0.00 H ATOM 80 HB ILE A 6 -2.696 0.172 1.660 1.00 0.00 H ATOM 81 HG12 ILE A 6 -2.583 2.662 3.250 1.00 0.00 H ATOM 82 HG13 ILE A 6 -3.690 2.688 1.881 1.00 0.00 H ATOM 83 HG21 ILE A 6 -0.478 -0.021 2.259 1.00 0.00 H ATOM 84 HG22 ILE A 6 -1.142 0.874 3.626 1.00 0.00 H ATOM 85 HG23 ILE A 6 -0.246 1.725 2.367 1.00 0.00 H ATOM 86 HD11 ILE A 6 -3.696 0.593 4.038 1.00 0.00 H ATOM 87 HD12 ILE A 6 -4.871 0.784 2.737 1.00 0.00 H ATOM 88 HD13 ILE A 6 -4.748 2.007 4.002 1.00 0.00 H ATOM 89 N ASP A 7 -0.134 1.110 -1.078 1.00 0.00 N ATOM 90 CA ASP A 7 0.534 0.239 -2.031 1.00 0.00 C ATOM 91 C ASP A 7 1.961 -0.123 -1.626 1.00 0.00 C ATOM 92 O ASP A 7 2.670 -0.808 -2.363 1.00 0.00 O ATOM 93 CB ASP A 7 0.461 0.966 -3.371 1.00 0.00 C ATOM 94 CG ASP A 7 0.011 0.125 -4.532 1.00 0.00 C ATOM 95 OD1 ASP A 7 -0.461 -1.002 -4.281 1.00 0.00 O ATOM 96 OD2 ASP A 7 0.072 0.619 -5.676 1.00 0.00 O ATOM 97 H ASP A 7 0.183 2.023 -0.944 1.00 0.00 H ATOM 98 HA ASP A 7 -0.099 -0.631 -2.066 1.00 0.00 H ATOM 99 HB2 ASP A 7 -0.311 1.720 -3.248 1.00 0.00 H ATOM 100 HB3 ASP A 7 1.371 1.501 -3.575 1.00 0.00 H ATOM 101 N GLY A 8 2.374 0.341 -0.454 1.00 0.00 N ATOM 102 CA GLY A 8 3.711 0.058 0.028 1.00 0.00 C ATOM 103 C GLY A 8 4.084 0.901 1.230 1.00 0.00 C ATOM 104 O GLY A 8 3.378 0.905 2.239 1.00 0.00 O ATOM 105 H GLY A 8 1.764 0.882 0.089 1.00 0.00 H ATOM 106 HA2 GLY A 8 3.771 -0.986 0.301 1.00 0.00 H ATOM 107 HA3 GLY A 8 4.417 0.252 -0.766 1.00 0.00 H ATOM 108 N ARG A 9 5.197 1.617 1.123 1.00 0.00 N ATOM 109 CA ARG A 9 5.668 2.471 2.208 1.00 0.00 C ATOM 110 C ARG A 9 6.612 3.547 1.678 1.00 0.00 C ATOM 111 O ARG A 9 7.653 3.243 1.097 1.00 0.00 O ATOM 112 CB ARG A 9 6.371 1.644 3.296 1.00 0.00 C ATOM 113 CG ARG A 9 6.612 0.187 2.922 1.00 0.00 C ATOM 114 CD ARG A 9 7.484 0.058 1.683 1.00 0.00 C ATOM 115 NE ARG A 9 8.791 -0.520 1.990 1.00 0.00 N ATOM 116 CZ ARG A 9 9.848 0.189 2.383 1.00 0.00 C ATOM 117 NH1 ARG A 9 9.749 1.516 2.518 1.00 0.00 N ATOM 118 NH2 ARG A 9 10.997 -0.440 2.639 1.00 0.00 N ATOM 119 H ARG A 9 5.714 1.570 0.292 1.00 0.00 H ATOM 120 HA ARG A 9 4.805 2.954 2.641 1.00 0.00 H ATOM 121 HB2 ARG A 9 7.327 2.097 3.513 1.00 0.00 H ATOM 122 HB3 ARG A 9 5.764 1.666 4.190 1.00 0.00 H ATOM 123 HG2 ARG A 9 7.103 -0.308 3.747 1.00 0.00 H ATOM 124 HG3 ARG A 9 5.659 -0.287 2.733 1.00 0.00 H ATOM 125 HD2 ARG A 9 6.981 -0.580 0.971 1.00 0.00 H ATOM 126 HD3 ARG A 9 7.624 1.036 1.249 1.00 0.00 H ATOM 127 HE ARG A 9 8.887 -1.491 1.898 1.00 0.00 H ATOM 128 HH11 ARG A 9 8.881 1.972 2.323 1.00 0.00 H ATOM 129 HH12 ARG A 9 10.536 2.058 2.813 1.00 0.00 H ATOM 130 HH21 ARG A 9 11.053 -1.433 2.532 1.00 0.00 H ATOM 131 HH22 ARG A 9 11.805 0.072 2.935 1.00 0.00 H ATOM 132 N LYS A 10 6.239 4.806 1.883 1.00 0.00 N ATOM 133 CA LYS A 10 7.052 5.927 1.426 1.00 0.00 C ATOM 134 C LYS A 10 8.339 6.033 2.239 1.00 0.00 C ATOM 135 O LYS A 10 9.425 5.746 1.738 1.00 0.00 O ATOM 136 CB LYS A 10 6.261 7.233 1.530 1.00 0.00 C ATOM 137 CG LYS A 10 5.121 7.334 0.530 1.00 0.00 C ATOM 138 CD LYS A 10 3.927 8.071 1.117 1.00 0.00 C ATOM 139 CE LYS A 10 3.241 8.938 0.075 1.00 0.00 C ATOM 140 NZ LYS A 10 2.504 10.074 0.695 1.00 0.00 N ATOM 141 H LYS A 10 5.397 4.985 2.351 1.00 0.00 H ATOM 142 HA LYS A 10 7.306 5.752 0.392 1.00 0.00 H ATOM 143 HB2 LYS A 10 5.846 7.312 2.525 1.00 0.00 H ATOM 144 HB3 LYS A 10 6.933 8.062 1.362 1.00 0.00 H ATOM 145 HG2 LYS A 10 5.466 7.868 -0.343 1.00 0.00 H ATOM 146 HG3 LYS A 10 4.814 6.338 0.246 1.00 0.00 H ATOM 147 HD2 LYS A 10 3.219 7.347 1.492 1.00 0.00 H ATOM 148 HD3 LYS A 10 4.268 8.698 1.928 1.00 0.00 H ATOM 149 HE2 LYS A 10 3.989 9.332 -0.598 1.00 0.00 H ATOM 150 HE3 LYS A 10 2.544 8.328 -0.480 1.00 0.00 H ATOM 151 HZ1 LYS A 10 3.086 10.515 1.437 1.00 0.00 H ATOM 152 HZ2 LYS A 10 1.619 9.736 1.121 1.00 0.00 H ATOM 153 HZ3 LYS A 10 2.279 10.790 -0.025 1.00 0.00 H ATOM 154 N PHE A 11 8.207 6.448 3.495 1.00 0.00 N ATOM 155 CA PHE A 11 9.360 6.593 4.376 1.00 0.00 C ATOM 156 C PHE A 11 10.029 5.244 4.620 1.00 0.00 C ATOM 157 O PHE A 11 9.362 4.252 4.910 1.00 0.00 O ATOM 158 CB PHE A 11 8.934 7.213 5.708 1.00 0.00 C ATOM 159 CG PHE A 11 8.088 8.444 5.553 1.00 0.00 C ATOM 160 CD1 PHE A 11 8.610 9.591 4.979 1.00 0.00 C ATOM 161 CD2 PHE A 11 6.771 8.453 5.982 1.00 0.00 C ATOM 162 CE1 PHE A 11 7.833 10.725 4.835 1.00 0.00 C ATOM 163 CE2 PHE A 11 5.990 9.584 5.842 1.00 0.00 C ATOM 164 CZ PHE A 11 6.522 10.721 5.267 1.00 0.00 C ATOM 165 H PHE A 11 7.314 6.663 3.836 1.00 0.00 H ATOM 166 HA PHE A 11 10.066 7.249 3.892 1.00 0.00 H ATOM 167 HB2 PHE A 11 8.367 6.488 6.270 1.00 0.00 H ATOM 168 HB3 PHE A 11 9.818 7.484 6.268 1.00 0.00 H ATOM 169 HD1 PHE A 11 9.635 9.596 4.641 1.00 0.00 H ATOM 170 HD2 PHE A 11 6.354 7.563 6.432 1.00 0.00 H ATOM 171 HE1 PHE A 11 8.252 11.614 4.386 1.00 0.00 H ATOM 172 HE2 PHE A 11 4.964 9.578 6.180 1.00 0.00 H ATOM 173 HZ PHE A 11 5.912 11.607 5.156 1.00 0.00 H ATOM 174 N ALA A 12 11.353 5.217 4.502 1.00 0.00 N ATOM 175 CA ALA A 12 12.114 3.991 4.711 1.00 0.00 C ATOM 176 C ALA A 12 12.877 4.037 6.030 1.00 0.00 C ATOM 177 O ALA A 12 14.085 4.272 6.055 1.00 0.00 O ATOM 178 CB ALA A 12 13.073 3.762 3.552 1.00 0.00 C ATOM 179 H ALA A 12 11.829 6.041 4.270 1.00 0.00 H ATOM 180 HA ALA A 12 11.416 3.167 4.738 1.00 0.00 H ATOM 181 HB1 ALA A 12 13.365 4.713 3.134 1.00 0.00 H ATOM 182 HB2 ALA A 12 12.584 3.170 2.793 1.00 0.00 H ATOM 183 HB3 ALA A 12 13.949 3.240 3.908 1.00 0.00 H HETATM 184 N NH2 A 13 12.179 3.811 7.138 1.00 0.00 N TER 185 NH2 A 13 HETATM 186 RH RH3 A 14 -1.233 -2.182 -5.729 1.00 0.00 RH HETATM 187 RH RH3 A 15 -0.684 -0.454 -7.275 1.00 0.00 RH HETATM 188 C ACT A 16 1.348 -2.431 -6.926 1.00 0.00 C HETATM 189 O ACT A 16 0.583 -3.017 -6.098 1.00 0.00 O HETATM 190 OXT ACT A 16 1.108 -1.365 -7.574 1.00 0.00 O HETATM 191 CH3 ACT A 16 2.689 -3.080 -7.174 1.00 0.00 C HETATM 192 H1 ACT A 16 2.583 -3.852 -7.921 1.00 0.00 H HETATM 193 H2 ACT A 16 3.053 -3.516 -6.256 1.00 0.00 H HETATM 194 H3 ACT A 16 3.390 -2.336 -7.523 1.00 0.00 H HETATM 195 C ACT A 17 -2.008 -2.711 -8.426 1.00 0.00 C HETATM 196 O ACT A 17 -2.037 -3.235 -7.270 1.00 0.00 O HETATM 197 OXT ACT A 17 -1.514 -1.584 -8.748 1.00 0.00 O HETATM 198 CH3 ACT A 17 -2.620 -3.521 -9.543 1.00 0.00 C HETATM 199 H1 ACT A 17 -3.699 -3.446 -9.490 1.00 0.00 H HETATM 200 H2 ACT A 17 -2.325 -4.555 -9.442 1.00 0.00 H HETATM 201 H3 ACT A 17 -2.279 -3.140 -10.493 1.00 0.00 H ENDMDL MODEL 13 ATOM 1 N PRO A 1 -11.623 -7.550 -4.932 1.00 0.00 N ATOM 2 CA PRO A 1 -11.389 -6.555 -3.850 1.00 0.00 C ATOM 3 C PRO A 1 -10.283 -5.566 -4.218 1.00 0.00 C ATOM 4 O PRO A 1 -9.099 -5.839 -4.016 1.00 0.00 O ATOM 5 CB PRO A 1 -11.014 -7.327 -2.587 1.00 0.00 C ATOM 6 CG PRO A 1 -10.860 -8.736 -3.050 1.00 0.00 C ATOM 7 CD PRO A 1 -11.712 -8.872 -4.289 1.00 0.00 C ATOM 8 H2 PRO A 1 -10.838 -7.370 -5.580 1.00 0.00 H ATOM 9 H3 PRO A 1 -12.459 -7.142 -5.412 1.00 0.00 H ATOM 10 HA PRO A 1 -12.305 -6.012 -3.676 1.00 0.00 H ATOM 11 HB2 PRO A 1 -10.091 -6.938 -2.181 1.00 0.00 H ATOM 12 HB3 PRO A 1 -11.804 -7.236 -1.858 1.00 0.00 H ATOM 13 HG2 PRO A 1 -9.825 -8.933 -3.285 1.00 0.00 H ATOM 14 HG3 PRO A 1 -11.207 -9.413 -2.284 1.00 0.00 H ATOM 15 HD2 PRO A 1 -11.313 -9.639 -4.937 1.00 0.00 H ATOM 16 HD3 PRO A 1 -12.733 -9.098 -4.021 1.00 0.00 H ATOM 17 N PHE A 2 -10.679 -4.419 -4.760 1.00 0.00 N ATOM 18 CA PHE A 2 -9.725 -3.391 -5.155 1.00 0.00 C ATOM 19 C PHE A 2 -9.382 -2.475 -3.975 1.00 0.00 C ATOM 20 O PHE A 2 -9.410 -2.913 -2.825 1.00 0.00 O ATOM 21 CB PHE A 2 -10.282 -2.590 -6.336 1.00 0.00 C ATOM 22 CG PHE A 2 -9.362 -2.572 -7.519 1.00 0.00 C ATOM 23 CD1 PHE A 2 -9.195 -3.707 -8.290 1.00 0.00 C ATOM 24 CD2 PHE A 2 -8.662 -1.426 -7.857 1.00 0.00 C ATOM 25 CE1 PHE A 2 -8.347 -3.702 -9.382 1.00 0.00 C ATOM 26 CE2 PHE A 2 -7.813 -1.413 -8.946 1.00 0.00 C ATOM 27 CZ PHE A 2 -7.655 -2.552 -9.710 1.00 0.00 C ATOM 28 H PHE A 2 -11.634 -4.260 -4.896 1.00 0.00 H ATOM 29 HA PHE A 2 -8.822 -3.894 -5.469 1.00 0.00 H ATOM 30 HB2 PHE A 2 -11.217 -3.030 -6.652 1.00 0.00 H ATOM 31 HB3 PHE A 2 -10.458 -1.570 -6.030 1.00 0.00 H ATOM 32 HD1 PHE A 2 -9.736 -4.605 -8.029 1.00 0.00 H ATOM 33 HD2 PHE A 2 -8.782 -0.536 -7.261 1.00 0.00 H ATOM 34 HE1 PHE A 2 -8.227 -4.595 -9.977 1.00 0.00 H ATOM 35 HE2 PHE A 2 -7.274 -0.512 -9.199 1.00 0.00 H ATOM 36 HZ PHE A 2 -6.993 -2.545 -10.562 1.00 0.00 H ATOM 37 N ALA A 3 -9.032 -1.212 -4.268 1.00 0.00 N ATOM 38 CA ALA A 3 -8.653 -0.231 -3.244 1.00 0.00 C ATOM 39 C ALA A 3 -7.137 -0.131 -3.172 1.00 0.00 C ATOM 40 O ALA A 3 -6.510 -0.595 -2.220 1.00 0.00 O ATOM 41 CB ALA A 3 -9.233 -0.579 -1.876 1.00 0.00 C ATOM 42 H ALA A 3 -9.007 -0.934 -5.208 1.00 0.00 H ATOM 43 HA ALA A 3 -9.049 0.728 -3.544 1.00 0.00 H ATOM 44 HB1 ALA A 3 -9.287 0.313 -1.270 1.00 0.00 H ATOM 45 HB2 ALA A 3 -8.599 -1.306 -1.390 1.00 0.00 H ATOM 46 HB3 ALA A 3 -10.223 -0.991 -1.999 1.00 0.00 H ATOM 47 N ASP A 4 -6.558 0.455 -4.212 1.00 0.00 N ATOM 48 CA ASP A 4 -5.113 0.600 -4.315 1.00 0.00 C ATOM 49 C ASP A 4 -4.655 1.953 -3.752 1.00 0.00 C ATOM 50 O ASP A 4 -4.083 2.774 -4.469 1.00 0.00 O ATOM 51 CB ASP A 4 -4.731 0.433 -5.795 1.00 0.00 C ATOM 52 CG ASP A 4 -3.356 -0.171 -6.030 1.00 0.00 C ATOM 53 OD1 ASP A 4 -3.056 -1.211 -5.405 1.00 0.00 O ATOM 54 OD2 ASP A 4 -2.598 0.384 -6.854 1.00 0.00 O ATOM 55 H ASP A 4 -7.120 0.780 -4.946 1.00 0.00 H ATOM 56 HA ASP A 4 -4.679 -0.206 -3.745 1.00 0.00 H ATOM 57 HB2 ASP A 4 -5.450 -0.235 -6.245 1.00 0.00 H ATOM 58 HB3 ASP A 4 -4.800 1.386 -6.296 1.00 0.00 H ATOM 59 N SER A 5 -4.914 2.174 -2.455 1.00 0.00 N ATOM 60 CA SER A 5 -4.533 3.424 -1.780 1.00 0.00 C ATOM 61 C SER A 5 -3.236 3.241 -0.993 1.00 0.00 C ATOM 62 O SER A 5 -2.342 4.085 -1.043 1.00 0.00 O ATOM 63 CB SER A 5 -5.654 3.895 -0.851 1.00 0.00 C ATOM 64 OG SER A 5 -5.864 2.980 0.210 1.00 0.00 O ATOM 65 H SER A 5 -5.367 1.475 -1.938 1.00 0.00 H ATOM 66 HA SER A 5 -4.365 4.170 -2.542 1.00 0.00 H ATOM 67 HB2 SER A 5 -5.391 4.858 -0.438 1.00 0.00 H ATOM 68 HB3 SER A 5 -6.566 3.995 -1.418 1.00 0.00 H ATOM 69 HG SER A 5 -6.515 2.325 -0.056 1.00 0.00 H ATOM 70 N ILE A 6 -3.116 2.098 -0.332 1.00 0.00 N ATOM 71 CA ILE A 6 -1.908 1.744 0.393 1.00 0.00 C ATOM 72 C ILE A 6 -1.204 0.735 -0.477 1.00 0.00 C ATOM 73 O ILE A 6 -1.692 -0.380 -0.665 1.00 0.00 O ATOM 74 CB ILE A 6 -2.199 1.145 1.783 1.00 0.00 C ATOM 75 CG1 ILE A 6 -3.057 2.107 2.608 1.00 0.00 C ATOM 76 CG2 ILE A 6 -0.899 0.832 2.508 1.00 0.00 C ATOM 77 CD1 ILE A 6 -4.544 1.915 2.406 1.00 0.00 C ATOM 78 H ILE A 6 -3.830 1.440 -0.395 1.00 0.00 H ATOM 79 HA ILE A 6 -1.285 2.624 0.488 1.00 0.00 H ATOM 80 HB ILE A 6 -2.738 0.220 1.647 1.00 0.00 H ATOM 81 HG12 ILE A 6 -2.844 1.961 3.656 1.00 0.00 H ATOM 82 HG13 ILE A 6 -2.812 3.123 2.334 1.00 0.00 H ATOM 83 HG21 ILE A 6 -0.663 1.637 3.187 1.00 0.00 H ATOM 84 HG22 ILE A 6 -0.102 0.724 1.788 1.00 0.00 H ATOM 85 HG23 ILE A 6 -1.009 -0.087 3.064 1.00 0.00 H ATOM 86 HD11 ILE A 6 -4.953 1.366 3.241 1.00 0.00 H ATOM 87 HD12 ILE A 6 -4.714 1.363 1.493 1.00 0.00 H ATOM 88 HD13 ILE A 6 -5.025 2.880 2.339 1.00 0.00 H ATOM 89 N ASP A 7 -0.117 1.158 -1.100 1.00 0.00 N ATOM 90 CA ASP A 7 0.559 0.299 -2.057 1.00 0.00 C ATOM 91 C ASP A 7 2.001 -0.023 -1.674 1.00 0.00 C ATOM 92 O ASP A 7 2.722 -0.678 -2.427 1.00 0.00 O ATOM 93 CB ASP A 7 0.449 1.017 -3.397 1.00 0.00 C ATOM 94 CG ASP A 7 0.005 0.161 -4.548 1.00 0.00 C ATOM 95 OD1 ASP A 7 -0.452 -0.968 -4.284 1.00 0.00 O ATOM 96 OD2 ASP A 7 0.057 0.645 -5.698 1.00 0.00 O ATOM 97 H ASP A 7 0.184 2.078 -0.969 1.00 0.00 H ATOM 98 HA ASP A 7 -0.052 -0.587 -2.079 1.00 0.00 H ATOM 99 HB2 ASP A 7 -0.338 1.752 -3.266 1.00 0.00 H ATOM 100 HB3 ASP A 7 1.343 1.575 -3.615 1.00 0.00 H ATOM 101 N GLY A 8 2.415 0.443 -0.501 1.00 0.00 N ATOM 102 CA GLY A 8 3.767 0.195 -0.042 1.00 0.00 C ATOM 103 C GLY A 8 3.947 0.513 1.428 1.00 0.00 C ATOM 104 O GLY A 8 3.670 1.627 1.870 1.00 0.00 O ATOM 105 H GLY A 8 1.797 0.957 0.056 1.00 0.00 H ATOM 106 HA2 GLY A 8 4.006 -0.846 -0.206 1.00 0.00 H ATOM 107 HA3 GLY A 8 4.448 0.804 -0.616 1.00 0.00 H ATOM 108 N ARG A 9 4.413 -0.472 2.187 1.00 0.00 N ATOM 109 CA ARG A 9 4.634 -0.301 3.619 1.00 0.00 C ATOM 110 C ARG A 9 3.322 -0.020 4.344 1.00 0.00 C ATOM 111 O ARG A 9 2.707 1.028 4.151 1.00 0.00 O ATOM 112 CB ARG A 9 5.625 0.836 3.873 1.00 0.00 C ATOM 113 CG ARG A 9 5.945 1.048 5.344 1.00 0.00 C ATOM 114 CD ARG A 9 6.868 -0.036 5.875 1.00 0.00 C ATOM 115 NE ARG A 9 7.441 0.320 7.171 1.00 0.00 N ATOM 116 CZ ARG A 9 6.776 0.246 8.323 1.00 0.00 C ATOM 117 NH1 ARG A 9 5.507 -0.173 8.330 1.00 0.00 N ATOM 118 NH2 ARG A 9 7.390 0.593 9.456 1.00 0.00 N ATOM 119 H ARG A 9 4.615 -1.336 1.772 1.00 0.00 H ATOM 120 HA ARG A 9 5.052 -1.220 4.000 1.00 0.00 H ATOM 121 HB2 ARG A 9 6.548 0.617 3.355 1.00 0.00 H ATOM 122 HB3 ARG A 9 5.212 1.753 3.481 1.00 0.00 H ATOM 123 HG2 ARG A 9 6.426 2.007 5.463 1.00 0.00 H ATOM 124 HG3 ARG A 9 5.023 1.033 5.909 1.00 0.00 H ATOM 125 HD2 ARG A 9 6.305 -0.951 5.981 1.00 0.00 H ATOM 126 HD3 ARG A 9 7.670 -0.187 5.166 1.00 0.00 H ATOM 127 HE ARG A 9 8.371 0.631 7.184 1.00 0.00 H ATOM 128 HH11 ARG A 9 5.064 -0.429 7.470 1.00 0.00 H ATOM 129 HH12 ARG A 9 4.996 -0.234 9.188 1.00 0.00 H ATOM 130 HH21 ARG A 9 8.341 0.904 9.429 1.00 0.00 H ATOM 131 HH22 ARG A 9 6.910 0.544 10.333 1.00 0.00 H ATOM 132 N LYS A 10 2.902 -0.963 5.179 1.00 0.00 N ATOM 133 CA LYS A 10 1.663 -0.820 5.937 1.00 0.00 C ATOM 134 C LYS A 10 1.600 -1.834 7.074 1.00 0.00 C ATOM 135 O LYS A 10 0.523 -2.299 7.446 1.00 0.00 O ATOM 136 CB LYS A 10 0.444 -0.982 5.020 1.00 0.00 C ATOM 137 CG LYS A 10 0.710 -1.820 3.778 1.00 0.00 C ATOM 138 CD LYS A 10 1.190 -3.217 4.139 1.00 0.00 C ATOM 139 CE LYS A 10 1.422 -4.063 2.897 1.00 0.00 C ATOM 140 NZ LYS A 10 0.332 -5.056 2.689 1.00 0.00 N ATOM 141 H LYS A 10 3.438 -1.776 5.291 1.00 0.00 H ATOM 142 HA LYS A 10 1.651 0.174 6.360 1.00 0.00 H ATOM 143 HB2 LYS A 10 -0.352 -1.451 5.579 1.00 0.00 H ATOM 144 HB3 LYS A 10 0.117 -0.003 4.702 1.00 0.00 H ATOM 145 HG2 LYS A 10 -0.203 -1.902 3.208 1.00 0.00 H ATOM 146 HG3 LYS A 10 1.465 -1.331 3.181 1.00 0.00 H ATOM 147 HD2 LYS A 10 2.117 -3.138 4.685 1.00 0.00 H ATOM 148 HD3 LYS A 10 0.445 -3.696 4.756 1.00 0.00 H ATOM 149 HE2 LYS A 10 1.472 -3.413 2.036 1.00 0.00 H ATOM 150 HE3 LYS A 10 2.359 -4.588 3.005 1.00 0.00 H ATOM 151 HZ1 LYS A 10 -0.118 -5.287 3.598 1.00 0.00 H ATOM 152 HZ2 LYS A 10 0.716 -5.928 2.274 1.00 0.00 H ATOM 153 HZ3 LYS A 10 -0.388 -4.667 2.047 1.00 0.00 H ATOM 154 N PHE A 11 2.763 -2.172 7.623 1.00 0.00 N ATOM 155 CA PHE A 11 2.841 -3.129 8.720 1.00 0.00 C ATOM 156 C PHE A 11 3.542 -2.513 9.927 1.00 0.00 C ATOM 157 O PHE A 11 4.713 -2.141 9.855 1.00 0.00 O ATOM 158 CB PHE A 11 3.586 -4.389 8.275 1.00 0.00 C ATOM 159 CG PHE A 11 2.968 -5.068 7.089 1.00 0.00 C ATOM 160 CD1 PHE A 11 1.623 -5.398 7.087 1.00 0.00 C ATOM 161 CD2 PHE A 11 3.733 -5.379 5.977 1.00 0.00 C ATOM 162 CE1 PHE A 11 1.052 -6.025 5.999 1.00 0.00 C ATOM 163 CE2 PHE A 11 3.167 -6.008 4.885 1.00 0.00 C ATOM 164 CZ PHE A 11 1.824 -6.331 4.895 1.00 0.00 C ATOM 165 H PHE A 11 3.587 -1.765 7.283 1.00 0.00 H ATOM 166 HA PHE A 11 1.834 -3.397 9.001 1.00 0.00 H ATOM 167 HB2 PHE A 11 4.601 -4.127 8.016 1.00 0.00 H ATOM 168 HB3 PHE A 11 3.601 -5.096 9.092 1.00 0.00 H ATOM 169 HD1 PHE A 11 1.019 -5.158 7.950 1.00 0.00 H ATOM 170 HD2 PHE A 11 4.783 -5.127 5.969 1.00 0.00 H ATOM 171 HE1 PHE A 11 0.003 -6.277 6.011 1.00 0.00 H ATOM 172 HE2 PHE A 11 3.774 -6.245 4.024 1.00 0.00 H ATOM 173 HZ PHE A 11 1.380 -6.823 4.043 1.00 0.00 H ATOM 174 N ALA A 12 2.816 -2.406 11.036 1.00 0.00 N ATOM 175 CA ALA A 12 3.369 -1.835 12.257 1.00 0.00 C ATOM 176 C ALA A 12 3.703 -2.923 13.272 1.00 0.00 C ATOM 177 O ALA A 12 4.705 -3.626 13.140 1.00 0.00 O ATOM 178 CB ALA A 12 2.395 -0.832 12.858 1.00 0.00 C ATOM 179 H ALA A 12 1.888 -2.720 11.032 1.00 0.00 H ATOM 180 HA ALA A 12 4.276 -1.308 11.998 1.00 0.00 H ATOM 181 HB1 ALA A 12 1.388 -1.213 12.772 1.00 0.00 H ATOM 182 HB2 ALA A 12 2.471 0.105 12.328 1.00 0.00 H ATOM 183 HB3 ALA A 12 2.635 -0.677 13.900 1.00 0.00 H HETATM 184 N NH2 A 13 2.867 -3.073 14.292 1.00 0.00 N TER 185 NH2 A 13 HETATM 186 RH RH3 A 14 -1.215 -2.177 -5.705 1.00 0.00 RH HETATM 187 RH RH3 A 15 -0.697 -0.463 -7.277 1.00 0.00 RH HETATM 188 C ACT A 16 1.362 -2.410 -6.914 1.00 0.00 C HETATM 189 O ACT A 16 0.609 -2.993 -6.073 1.00 0.00 O HETATM 190 OXT ACT A 16 1.105 -1.356 -7.575 1.00 0.00 O HETATM 191 CH3 ACT A 16 2.710 -3.045 -7.161 1.00 0.00 C HETATM 192 H1 ACT A 16 3.453 -2.563 -6.544 1.00 0.00 H HETATM 193 H2 ACT A 16 2.976 -2.930 -8.202 1.00 0.00 H HETATM 194 H3 ACT A 16 2.663 -4.096 -6.915 1.00 0.00 H HETATM 195 C ACT A 17 -1.997 -2.752 -8.389 1.00 0.00 C HETATM 196 O ACT A 17 -2.014 -3.261 -7.226 1.00 0.00 O HETATM 197 OXT ACT A 17 -1.520 -1.624 -8.730 1.00 0.00 O HETATM 198 CH3 ACT A 17 -2.606 -3.586 -9.492 1.00 0.00 C HETATM 199 H1 ACT A 17 -3.684 -3.489 -9.462 1.00 0.00 H HETATM 200 H2 ACT A 17 -2.333 -4.621 -9.353 1.00 0.00 H HETATM 201 H3 ACT A 17 -2.242 -3.241 -10.447 1.00 0.00 H ENDMDL MODEL 14 ATOM 1 N PRO A 1 -12.299 -6.751 -5.221 1.00 0.00 N ATOM 2 CA PRO A 1 -11.434 -6.465 -4.044 1.00 0.00 C ATOM 3 C PRO A 1 -10.319 -5.475 -4.389 1.00 0.00 C ATOM 4 O PRO A 1 -9.139 -5.752 -4.178 1.00 0.00 O ATOM 5 CB PRO A 1 -10.845 -7.793 -3.572 1.00 0.00 C ATOM 6 CG PRO A 1 -11.544 -8.819 -4.398 1.00 0.00 C ATOM 7 CD PRO A 1 -11.986 -8.120 -5.661 1.00 0.00 C ATOM 8 H2 PRO A 1 -12.082 -5.966 -5.858 1.00 0.00 H ATOM 9 H3 PRO A 1 -13.248 -6.526 -4.841 1.00 0.00 H ATOM 10 HA PRO A 1 -12.046 -6.048 -3.260 1.00 0.00 H ATOM 11 HB2 PRO A 1 -9.779 -7.803 -3.745 1.00 0.00 H ATOM 12 HB3 PRO A 1 -11.048 -7.927 -2.521 1.00 0.00 H ATOM 13 HG2 PRO A 1 -10.864 -9.624 -4.634 1.00 0.00 H ATOM 14 HG3 PRO A 1 -12.402 -9.198 -3.862 1.00 0.00 H ATOM 15 HD2 PRO A 1 -11.185 -8.116 -6.387 1.00 0.00 H ATOM 16 HD3 PRO A 1 -12.862 -8.600 -6.070 1.00 0.00 H ATOM 17 N PHE A 2 -10.706 -4.319 -4.920 1.00 0.00 N ATOM 18 CA PHE A 2 -9.745 -3.290 -5.293 1.00 0.00 C ATOM 19 C PHE A 2 -9.408 -2.392 -4.097 1.00 0.00 C ATOM 20 O PHE A 2 -9.446 -2.847 -2.953 1.00 0.00 O ATOM 21 CB PHE A 2 -10.286 -2.471 -6.469 1.00 0.00 C ATOM 22 CG PHE A 2 -9.353 -2.444 -7.642 1.00 0.00 C ATOM 23 CD1 PHE A 2 -9.199 -3.565 -8.435 1.00 0.00 C ATOM 24 CD2 PHE A 2 -8.630 -1.303 -7.948 1.00 0.00 C ATOM 25 CE1 PHE A 2 -8.340 -3.552 -9.518 1.00 0.00 C ATOM 26 CE2 PHE A 2 -7.769 -1.282 -9.028 1.00 0.00 C ATOM 27 CZ PHE A 2 -7.624 -2.408 -9.814 1.00 0.00 C ATOM 28 H PHE A 2 -11.659 -4.155 -5.064 1.00 0.00 H ATOM 29 HA PHE A 2 -8.840 -3.793 -5.605 1.00 0.00 H ATOM 30 HB2 PHE A 2 -11.219 -2.902 -6.799 1.00 0.00 H ATOM 31 HB3 PHE A 2 -10.458 -1.455 -6.151 1.00 0.00 H ATOM 32 HD1 PHE A 2 -9.759 -4.458 -8.201 1.00 0.00 H ATOM 33 HD2 PHE A 2 -8.740 -0.425 -7.334 1.00 0.00 H ATOM 34 HE1 PHE A 2 -8.228 -4.434 -10.131 1.00 0.00 H ATOM 35 HE2 PHE A 2 -7.212 -0.386 -9.255 1.00 0.00 H ATOM 36 HZ PHE A 2 -6.952 -2.394 -10.659 1.00 0.00 H ATOM 37 N ALA A 3 -9.050 -1.127 -4.369 1.00 0.00 N ATOM 38 CA ALA A 3 -8.675 -0.163 -3.327 1.00 0.00 C ATOM 39 C ALA A 3 -7.159 -0.087 -3.227 1.00 0.00 C ATOM 40 O ALA A 3 -6.556 -0.573 -2.270 1.00 0.00 O ATOM 41 CB ALA A 3 -9.286 -0.517 -1.975 1.00 0.00 C ATOM 42 H ALA A 3 -9.016 -0.836 -5.304 1.00 0.00 H ATOM 43 HA ALA A 3 -9.050 0.806 -3.626 1.00 0.00 H ATOM 44 HB1 ALA A 3 -8.680 -1.269 -1.492 1.00 0.00 H ATOM 45 HB2 ALA A 3 -10.285 -0.898 -2.121 1.00 0.00 H ATOM 46 HB3 ALA A 3 -9.324 0.368 -1.355 1.00 0.00 H ATOM 47 N ASP A 4 -6.551 0.500 -4.250 1.00 0.00 N ATOM 48 CA ASP A 4 -5.104 0.623 -4.327 1.00 0.00 C ATOM 49 C ASP A 4 -4.635 1.963 -3.740 1.00 0.00 C ATOM 50 O ASP A 4 -4.043 2.786 -4.440 1.00 0.00 O ATOM 51 CB ASP A 4 -4.698 0.466 -5.802 1.00 0.00 C ATOM 52 CG ASP A 4 -3.330 -0.159 -6.022 1.00 0.00 C ATOM 53 OD1 ASP A 4 -3.060 -1.212 -5.407 1.00 0.00 O ATOM 54 OD2 ASP A 4 -2.549 0.393 -6.826 1.00 0.00 O ATOM 55 H ASP A 4 -7.095 0.843 -4.990 1.00 0.00 H ATOM 56 HA ASP A 4 -4.693 -0.197 -3.758 1.00 0.00 H ATOM 57 HB2 ASP A 4 -5.422 -0.184 -6.272 1.00 0.00 H ATOM 58 HB3 ASP A 4 -4.743 1.425 -6.293 1.00 0.00 H ATOM 59 N SER A 5 -4.906 2.171 -2.444 1.00 0.00 N ATOM 60 CA SER A 5 -4.517 3.407 -1.749 1.00 0.00 C ATOM 61 C SER A 5 -3.233 3.198 -0.946 1.00 0.00 C ATOM 62 O SER A 5 -2.323 4.025 -0.982 1.00 0.00 O ATOM 63 CB SER A 5 -5.643 3.883 -0.829 1.00 0.00 C ATOM 64 OG SER A 5 -5.881 2.959 0.218 1.00 0.00 O ATOM 65 H SER A 5 -5.374 1.472 -1.941 1.00 0.00 H ATOM 66 HA SER A 5 -4.329 4.160 -2.499 1.00 0.00 H ATOM 67 HB2 SER A 5 -5.374 4.838 -0.402 1.00 0.00 H ATOM 68 HB3 SER A 5 -6.548 4.001 -1.406 1.00 0.00 H ATOM 69 HG SER A 5 -5.380 3.219 0.995 1.00 0.00 H ATOM 70 N ILE A 6 -3.143 2.049 -0.288 1.00 0.00 N ATOM 71 CA ILE A 6 -1.951 1.670 0.450 1.00 0.00 C ATOM 72 C ILE A 6 -1.253 0.656 -0.419 1.00 0.00 C ATOM 73 O ILE A 6 -1.758 -0.449 -0.623 1.00 0.00 O ATOM 74 CB ILE A 6 -2.269 1.066 1.832 1.00 0.00 C ATOM 75 CG1 ILE A 6 -3.178 2.005 2.628 1.00 0.00 C ATOM 76 CG2 ILE A 6 -0.983 0.787 2.595 1.00 0.00 C ATOM 77 CD1 ILE A 6 -4.613 1.531 2.708 1.00 0.00 C ATOM 78 H ILE A 6 -3.868 1.405 -0.364 1.00 0.00 H ATOM 79 HA ILE A 6 -1.315 2.539 0.559 1.00 0.00 H ATOM 80 HB ILE A 6 -2.778 0.126 1.680 1.00 0.00 H ATOM 81 HG12 ILE A 6 -2.802 2.092 3.637 1.00 0.00 H ATOM 82 HG13 ILE A 6 -3.176 2.980 2.163 1.00 0.00 H ATOM 83 HG21 ILE A 6 -0.201 1.438 2.234 1.00 0.00 H ATOM 84 HG22 ILE A 6 -0.691 -0.243 2.446 1.00 0.00 H ATOM 85 HG23 ILE A 6 -1.143 0.966 3.649 1.00 0.00 H ATOM 86 HD11 ILE A 6 -5.269 2.385 2.805 1.00 0.00 H ATOM 87 HD12 ILE A 6 -4.732 0.888 3.567 1.00 0.00 H ATOM 88 HD13 ILE A 6 -4.863 0.985 1.812 1.00 0.00 H ATOM 89 N ASP A 7 -0.150 1.064 -1.022 1.00 0.00 N ATOM 90 CA ASP A 7 0.523 0.199 -1.975 1.00 0.00 C ATOM 91 C ASP A 7 1.951 -0.161 -1.570 1.00 0.00 C ATOM 92 O ASP A 7 2.656 -0.858 -2.299 1.00 0.00 O ATOM 93 CB ASP A 7 0.452 0.931 -3.314 1.00 0.00 C ATOM 94 CG ASP A 7 0.011 0.092 -4.479 1.00 0.00 C ATOM 95 OD1 ASP A 7 -0.471 -1.032 -4.233 1.00 0.00 O ATOM 96 OD2 ASP A 7 0.089 0.585 -5.623 1.00 0.00 O ATOM 97 H ASP A 7 0.167 1.976 -0.879 1.00 0.00 H ATOM 98 HA ASP A 7 -0.105 -0.672 -2.015 1.00 0.00 H ATOM 99 HB2 ASP A 7 -0.324 1.680 -3.192 1.00 0.00 H ATOM 100 HB3 ASP A 7 1.361 1.471 -3.512 1.00 0.00 H ATOM 101 N GLY A 8 2.370 0.320 -0.407 1.00 0.00 N ATOM 102 CA GLY A 8 3.708 0.041 0.073 1.00 0.00 C ATOM 103 C GLY A 8 4.264 1.165 0.919 1.00 0.00 C ATOM 104 O GLY A 8 3.719 1.493 1.973 1.00 0.00 O ATOM 105 H GLY A 8 1.767 0.871 0.130 1.00 0.00 H ATOM 106 HA2 GLY A 8 3.691 -0.860 0.661 1.00 0.00 H ATOM 107 HA3 GLY A 8 4.358 -0.108 -0.777 1.00 0.00 H ATOM 108 N ARG A 9 5.353 1.753 0.451 1.00 0.00 N ATOM 109 CA ARG A 9 6.001 2.852 1.157 1.00 0.00 C ATOM 110 C ARG A 9 7.200 3.371 0.369 1.00 0.00 C ATOM 111 O ARG A 9 8.222 2.695 0.259 1.00 0.00 O ATOM 112 CB ARG A 9 6.449 2.400 2.548 1.00 0.00 C ATOM 113 CG ARG A 9 6.571 3.538 3.549 1.00 0.00 C ATOM 114 CD ARG A 9 5.264 3.771 4.290 1.00 0.00 C ATOM 115 NE ARG A 9 4.525 4.911 3.755 1.00 0.00 N ATOM 116 CZ ARG A 9 4.950 6.171 3.825 1.00 0.00 C ATOM 117 NH1 ARG A 9 6.119 6.446 4.414 1.00 0.00 N ATOM 118 NH2 ARG A 9 4.200 7.145 3.306 1.00 0.00 N ATOM 119 H ARG A 9 5.729 1.439 -0.395 1.00 0.00 H ATOM 120 HA ARG A 9 5.281 3.650 1.261 1.00 0.00 H ATOM 121 HB2 ARG A 9 5.734 1.688 2.931 1.00 0.00 H ATOM 122 HB3 ARG A 9 7.413 1.920 2.465 1.00 0.00 H ATOM 123 HG2 ARG A 9 7.341 3.295 4.265 1.00 0.00 H ATOM 124 HG3 ARG A 9 6.840 4.441 3.020 1.00 0.00 H ATOM 125 HD2 ARG A 9 4.652 2.884 4.203 1.00 0.00 H ATOM 126 HD3 ARG A 9 5.484 3.953 5.332 1.00 0.00 H ATOM 127 HE ARG A 9 3.666 4.730 3.319 1.00 0.00 H ATOM 128 HH11 ARG A 9 6.668 5.702 4.798 1.00 0.00 H ATOM 129 HH12 ARG A 9 6.450 7.387 4.475 1.00 0.00 H ATOM 130 HH21 ARG A 9 3.329 6.919 2.869 1.00 0.00 H ATOM 131 HH22 ARG A 9 4.500 8.099 3.349 1.00 0.00 H ATOM 132 N LYS A 10 7.066 4.575 -0.179 1.00 0.00 N ATOM 133 CA LYS A 10 8.138 5.183 -0.958 1.00 0.00 C ATOM 134 C LYS A 10 8.451 6.586 -0.450 1.00 0.00 C ATOM 135 O LYS A 10 9.613 6.937 -0.243 1.00 0.00 O ATOM 136 CB LYS A 10 7.754 5.238 -2.438 1.00 0.00 C ATOM 137 CG LYS A 10 7.150 3.942 -2.959 1.00 0.00 C ATOM 138 CD LYS A 10 5.714 4.136 -3.417 1.00 0.00 C ATOM 139 CE LYS A 10 4.879 2.888 -3.179 1.00 0.00 C ATOM 140 NZ LYS A 10 3.568 2.954 -3.881 1.00 0.00 N ATOM 141 H LYS A 10 6.225 5.065 -0.057 1.00 0.00 H ATOM 142 HA LYS A 10 9.018 4.568 -0.847 1.00 0.00 H ATOM 143 HB2 LYS A 10 7.033 6.030 -2.582 1.00 0.00 H ATOM 144 HB3 LYS A 10 8.636 5.458 -3.020 1.00 0.00 H ATOM 145 HG2 LYS A 10 7.739 3.592 -3.793 1.00 0.00 H ATOM 146 HG3 LYS A 10 7.171 3.205 -2.169 1.00 0.00 H ATOM 147 HD2 LYS A 10 5.279 4.958 -2.867 1.00 0.00 H ATOM 148 HD3 LYS A 10 5.711 4.366 -4.473 1.00 0.00 H ATOM 149 HE2 LYS A 10 5.427 2.030 -3.540 1.00 0.00 H ATOM 150 HE3 LYS A 10 4.705 2.783 -2.118 1.00 0.00 H ATOM 151 HZ1 LYS A 10 3.272 2.002 -4.179 1.00 0.00 H ATOM 152 HZ2 LYS A 10 3.643 3.560 -4.724 1.00 0.00 H ATOM 153 HZ3 LYS A 10 2.843 3.350 -3.249 1.00 0.00 H ATOM 154 N PHE A 11 7.408 7.386 -0.253 1.00 0.00 N ATOM 155 CA PHE A 11 7.569 8.748 0.231 1.00 0.00 C ATOM 156 C PHE A 11 7.456 8.796 1.754 1.00 0.00 C ATOM 157 O PHE A 11 6.562 8.186 2.340 1.00 0.00 O ATOM 158 CB PHE A 11 6.516 9.645 -0.428 1.00 0.00 C ATOM 159 CG PHE A 11 5.839 10.587 0.518 1.00 0.00 C ATOM 160 CD1 PHE A 11 6.552 11.606 1.117 1.00 0.00 C ATOM 161 CD2 PHE A 11 4.496 10.445 0.806 1.00 0.00 C ATOM 162 CE1 PHE A 11 5.934 12.480 1.992 1.00 0.00 C ATOM 163 CE2 PHE A 11 3.868 11.311 1.681 1.00 0.00 C ATOM 164 CZ PHE A 11 4.589 12.332 2.275 1.00 0.00 C ATOM 165 H PHE A 11 6.504 7.052 -0.434 1.00 0.00 H ATOM 166 HA PHE A 11 8.549 9.096 -0.055 1.00 0.00 H ATOM 167 HB2 PHE A 11 6.990 10.236 -1.197 1.00 0.00 H ATOM 168 HB3 PHE A 11 5.756 9.024 -0.879 1.00 0.00 H ATOM 169 HD1 PHE A 11 7.605 11.714 0.892 1.00 0.00 H ATOM 170 HD2 PHE A 11 3.940 9.643 0.343 1.00 0.00 H ATOM 171 HE1 PHE A 11 6.502 13.273 2.454 1.00 0.00 H ATOM 172 HE2 PHE A 11 2.818 11.193 1.899 1.00 0.00 H ATOM 173 HZ PHE A 11 4.102 13.011 2.958 1.00 0.00 H ATOM 174 N ALA A 12 8.370 9.525 2.387 1.00 0.00 N ATOM 175 CA ALA A 12 8.374 9.653 3.839 1.00 0.00 C ATOM 176 C ALA A 12 7.652 10.921 4.279 1.00 0.00 C ATOM 177 O ALA A 12 7.964 12.019 3.819 1.00 0.00 O ATOM 178 CB ALA A 12 9.800 9.645 4.364 1.00 0.00 C ATOM 179 H ALA A 12 9.057 9.988 1.864 1.00 0.00 H ATOM 180 HA ALA A 12 7.858 8.796 4.250 1.00 0.00 H ATOM 181 HB1 ALA A 12 9.861 10.262 5.249 1.00 0.00 H ATOM 182 HB2 ALA A 12 10.465 10.034 3.608 1.00 0.00 H ATOM 183 HB3 ALA A 12 10.088 8.633 4.611 1.00 0.00 H HETATM 184 N NH2 A 13 6.681 10.782 5.175 1.00 0.00 N TER 185 NH2 A 13 HETATM 186 RH RH3 A 14 -1.233 -2.209 -5.687 1.00 0.00 RH HETATM 187 RH RH3 A 15 -0.656 -0.484 -7.228 1.00 0.00 RH HETATM 188 C ACT A 16 1.360 -2.474 -6.855 1.00 0.00 C HETATM 189 O ACT A 16 0.583 -3.054 -6.035 1.00 0.00 O HETATM 190 OXT ACT A 16 1.135 -1.406 -7.506 1.00 0.00 O HETATM 191 CH3 ACT A 16 2.699 -3.131 -7.088 1.00 0.00 C HETATM 192 H1 ACT A 16 2.551 -4.111 -7.515 1.00 0.00 H HETATM 193 H2 ACT A 16 3.223 -3.223 -6.147 1.00 0.00 H HETATM 194 H3 ACT A 16 3.284 -2.527 -7.766 1.00 0.00 H HETATM 195 C ACT A 17 -1.979 -2.733 -8.393 1.00 0.00 C HETATM 196 O ACT A 17 -2.025 -3.257 -7.237 1.00 0.00 O HETATM 197 OXT ACT A 17 -1.474 -1.610 -8.710 1.00 0.00 O HETATM 198 CH3 ACT A 17 -2.583 -3.541 -9.517 1.00 0.00 C HETATM 199 H1 ACT A 17 -3.661 -3.453 -9.483 1.00 0.00 H HETATM 200 H2 ACT A 17 -2.303 -4.578 -9.407 1.00 0.00 H HETATM 201 H3 ACT A 17 -2.223 -3.168 -10.464 1.00 0.00 H ENDMDL MODEL 15 ATOM 1 N PRO A 1 -10.566 -8.132 -3.768 1.00 0.00 N ATOM 2 CA PRO A 1 -11.111 -6.748 -3.753 1.00 0.00 C ATOM 3 C PRO A 1 -10.053 -5.718 -4.143 1.00 0.00 C ATOM 4 O PRO A 1 -8.857 -5.943 -3.959 1.00 0.00 O ATOM 5 CB PRO A 1 -11.628 -6.472 -2.343 1.00 0.00 C ATOM 6 CG PRO A 1 -11.492 -7.779 -1.637 1.00 0.00 C ATOM 7 CD PRO A 1 -10.413 -8.546 -2.364 1.00 0.00 C ATOM 8 H2 PRO A 1 -9.716 -8.034 -4.347 1.00 0.00 H ATOM 9 H3 PRO A 1 -11.253 -8.620 -4.388 1.00 0.00 H ATOM 10 HA PRO A 1 -11.934 -6.694 -4.451 1.00 0.00 H ATOM 11 HB2 PRO A 1 -11.026 -5.704 -1.878 1.00 0.00 H ATOM 12 HB3 PRO A 1 -12.659 -6.154 -2.390 1.00 0.00 H ATOM 13 HG2 PRO A 1 -11.204 -7.612 -0.610 1.00 0.00 H ATOM 14 HG3 PRO A 1 -12.427 -8.318 -1.681 1.00 0.00 H ATOM 15 HD2 PRO A 1 -9.439 -8.273 -1.987 1.00 0.00 H ATOM 16 HD3 PRO A 1 -10.573 -9.610 -2.261 1.00 0.00 H ATOM 17 N PHE A 2 -10.503 -4.590 -4.682 1.00 0.00 N ATOM 18 CA PHE A 2 -9.598 -3.527 -5.097 1.00 0.00 C ATOM 19 C PHE A 2 -9.269 -2.594 -3.925 1.00 0.00 C ATOM 20 O PHE A 2 -9.257 -3.030 -2.774 1.00 0.00 O ATOM 21 CB PHE A 2 -10.203 -2.753 -6.272 1.00 0.00 C ATOM 22 CG PHE A 2 -9.301 -2.707 -7.469 1.00 0.00 C ATOM 23 CD1 PHE A 2 -9.124 -3.833 -8.251 1.00 0.00 C ATOM 24 CD2 PHE A 2 -8.632 -1.544 -7.809 1.00 0.00 C ATOM 25 CE1 PHE A 2 -8.292 -3.802 -9.355 1.00 0.00 C ATOM 26 CE2 PHE A 2 -7.800 -1.504 -8.911 1.00 0.00 C ATOM 27 CZ PHE A 2 -7.631 -2.636 -9.686 1.00 0.00 C ATOM 28 H PHE A 2 -11.466 -4.469 -4.804 1.00 0.00 H ATOM 29 HA PHE A 2 -8.680 -3.995 -5.425 1.00 0.00 H ATOM 30 HB2 PHE A 2 -11.125 -3.229 -6.572 1.00 0.00 H ATOM 31 HB3 PHE A 2 -10.412 -1.740 -5.968 1.00 0.00 H ATOM 32 HD1 PHE A 2 -9.642 -4.744 -7.989 1.00 0.00 H ATOM 33 HD2 PHE A 2 -8.762 -0.661 -7.204 1.00 0.00 H ATOM 34 HE1 PHE A 2 -8.161 -4.688 -9.958 1.00 0.00 H ATOM 35 HE2 PHE A 2 -7.285 -0.590 -9.165 1.00 0.00 H ATOM 36 HZ PHE A 2 -6.980 -2.608 -10.548 1.00 0.00 H ATOM 37 N ALA A 3 -8.976 -1.320 -4.228 1.00 0.00 N ATOM 38 CA ALA A 3 -8.617 -0.322 -3.212 1.00 0.00 C ATOM 39 C ALA A 3 -7.104 -0.184 -3.149 1.00 0.00 C ATOM 40 O ALA A 3 -6.461 -0.629 -2.196 1.00 0.00 O ATOM 41 CB ALA A 3 -9.184 -0.675 -1.841 1.00 0.00 C ATOM 42 H ALA A 3 -8.980 -1.042 -5.168 1.00 0.00 H ATOM 43 HA ALA A 3 -9.039 0.626 -3.519 1.00 0.00 H ATOM 44 HB1 ALA A 3 -10.155 -1.131 -1.959 1.00 0.00 H ATOM 45 HB2 ALA A 3 -9.277 0.223 -1.248 1.00 0.00 H ATOM 46 HB3 ALA A 3 -8.520 -1.366 -1.343 1.00 0.00 H ATOM 47 N ASP A 4 -6.544 0.409 -4.195 1.00 0.00 N ATOM 48 CA ASP A 4 -5.103 0.587 -4.306 1.00 0.00 C ATOM 49 C ASP A 4 -4.675 1.956 -3.756 1.00 0.00 C ATOM 50 O ASP A 4 -4.124 2.783 -4.483 1.00 0.00 O ATOM 51 CB ASP A 4 -4.724 0.416 -5.787 1.00 0.00 C ATOM 52 CG ASP A 4 -3.338 -0.160 -6.025 1.00 0.00 C ATOM 53 OD1 ASP A 4 -3.017 -1.194 -5.401 1.00 0.00 O ATOM 54 OD2 ASP A 4 -2.593 0.408 -6.852 1.00 0.00 O ATOM 55 H ASP A 4 -7.117 0.716 -4.928 1.00 0.00 H ATOM 56 HA ASP A 4 -4.648 -0.205 -3.732 1.00 0.00 H ATOM 57 HB2 ASP A 4 -5.431 -0.270 -6.228 1.00 0.00 H ATOM 58 HB3 ASP A 4 -4.817 1.364 -6.295 1.00 0.00 H ATOM 59 N SER A 5 -4.931 2.181 -2.460 1.00 0.00 N ATOM 60 CA SER A 5 -4.576 3.444 -1.799 1.00 0.00 C ATOM 61 C SER A 5 -3.270 3.298 -1.018 1.00 0.00 C ATOM 62 O SER A 5 -2.389 4.155 -1.090 1.00 0.00 O ATOM 63 CB SER A 5 -5.700 3.897 -0.865 1.00 0.00 C ATOM 64 OG SER A 5 -5.883 2.986 0.205 1.00 0.00 O ATOM 65 H SER A 5 -5.365 1.476 -1.935 1.00 0.00 H ATOM 66 HA SER A 5 -4.430 4.189 -2.567 1.00 0.00 H ATOM 67 HB2 SER A 5 -5.458 4.870 -0.462 1.00 0.00 H ATOM 68 HB3 SER A 5 -6.619 3.971 -1.426 1.00 0.00 H ATOM 69 HG SER A 5 -6.091 3.471 1.007 1.00 0.00 H ATOM 70 N ILE A 6 -3.125 2.167 -0.339 1.00 0.00 N ATOM 71 CA ILE A 6 -1.908 1.844 0.381 1.00 0.00 C ATOM 72 C ILE A 6 -1.195 0.833 -0.481 1.00 0.00 C ATOM 73 O ILE A 6 -1.670 -0.289 -0.654 1.00 0.00 O ATOM 74 CB ILE A 6 -2.178 1.262 1.782 1.00 0.00 C ATOM 75 CG1 ILE A 6 -3.136 2.166 2.558 1.00 0.00 C ATOM 76 CG2 ILE A 6 -0.872 1.087 2.544 1.00 0.00 C ATOM 77 CD1 ILE A 6 -4.111 1.406 3.431 1.00 0.00 C ATOM 78 H ILE A 6 -3.829 1.497 -0.387 1.00 0.00 H ATOM 79 HA ILE A 6 -1.299 2.735 0.457 1.00 0.00 H ATOM 80 HB ILE A 6 -2.629 0.289 1.662 1.00 0.00 H ATOM 81 HG12 ILE A 6 -2.564 2.823 3.196 1.00 0.00 H ATOM 82 HG13 ILE A 6 -3.708 2.758 1.859 1.00 0.00 H ATOM 83 HG21 ILE A 6 -0.513 2.052 2.870 1.00 0.00 H ATOM 84 HG22 ILE A 6 -0.138 0.629 1.898 1.00 0.00 H ATOM 85 HG23 ILE A 6 -1.039 0.455 3.403 1.00 0.00 H ATOM 86 HD11 ILE A 6 -5.047 1.286 2.906 1.00 0.00 H ATOM 87 HD12 ILE A 6 -4.279 1.955 4.345 1.00 0.00 H ATOM 88 HD13 ILE A 6 -3.702 0.434 3.665 1.00 0.00 H ATOM 89 N ASP A 7 -0.115 1.263 -1.110 1.00 0.00 N ATOM 90 CA ASP A 7 0.569 0.399 -2.058 1.00 0.00 C ATOM 91 C ASP A 7 2.011 0.086 -1.667 1.00 0.00 C ATOM 92 O ASP A 7 2.734 -0.583 -2.406 1.00 0.00 O ATOM 93 CB ASP A 7 0.459 1.105 -3.407 1.00 0.00 C ATOM 94 CG ASP A 7 0.024 0.236 -4.551 1.00 0.00 C ATOM 95 OD1 ASP A 7 -0.411 -0.902 -4.280 1.00 0.00 O ATOM 96 OD2 ASP A 7 0.060 0.714 -5.703 1.00 0.00 O ATOM 97 H ASP A 7 0.177 2.186 -0.990 1.00 0.00 H ATOM 98 HA ASP A 7 -0.037 -0.489 -2.075 1.00 0.00 H ATOM 99 HB2 ASP A 7 -0.334 1.836 -3.284 1.00 0.00 H ATOM 100 HB3 ASP A 7 1.350 1.666 -3.627 1.00 0.00 H ATOM 101 N GLY A 8 2.421 0.572 -0.503 1.00 0.00 N ATOM 102 CA GLY A 8 3.773 0.332 -0.033 1.00 0.00 C ATOM 103 C GLY A 8 3.805 -0.217 1.380 1.00 0.00 C ATOM 104 O GLY A 8 2.972 -1.043 1.751 1.00 0.00 O ATOM 105 H GLY A 8 1.802 1.097 0.044 1.00 0.00 H ATOM 106 HA2 GLY A 8 4.252 -0.374 -0.694 1.00 0.00 H ATOM 107 HA3 GLY A 8 4.321 1.263 -0.058 1.00 0.00 H ATOM 108 N ARG A 9 4.772 0.244 2.167 1.00 0.00 N ATOM 109 CA ARG A 9 4.917 -0.203 3.551 1.00 0.00 C ATOM 110 C ARG A 9 6.202 0.346 4.164 1.00 0.00 C ATOM 111 O ARG A 9 7.269 0.279 3.555 1.00 0.00 O ATOM 112 CB ARG A 9 4.914 -1.734 3.624 1.00 0.00 C ATOM 113 CG ARG A 9 3.680 -2.307 4.302 1.00 0.00 C ATOM 114 CD ARG A 9 3.611 -1.902 5.767 1.00 0.00 C ATOM 115 NE ARG A 9 2.980 -2.930 6.590 1.00 0.00 N ATOM 116 CZ ARG A 9 3.571 -4.074 6.933 1.00 0.00 C ATOM 117 NH1 ARG A 9 4.816 -4.328 6.519 1.00 0.00 N ATOM 118 NH2 ARG A 9 2.909 -4.951 7.690 1.00 0.00 N ATOM 119 H ARG A 9 5.403 0.902 1.811 1.00 0.00 H ATOM 120 HA ARG A 9 4.075 0.178 4.110 1.00 0.00 H ATOM 121 HB2 ARG A 9 4.962 -2.131 2.621 1.00 0.00 H ATOM 122 HB3 ARG A 9 5.785 -2.060 4.174 1.00 0.00 H ATOM 123 HG2 ARG A 9 2.800 -1.940 3.798 1.00 0.00 H ATOM 124 HG3 ARG A 9 3.714 -3.385 4.238 1.00 0.00 H ATOM 125 HD2 ARG A 9 4.615 -1.732 6.127 1.00 0.00 H ATOM 126 HD3 ARG A 9 3.040 -0.988 5.848 1.00 0.00 H ATOM 127 HE ARG A 9 2.066 -2.762 6.904 1.00 0.00 H ATOM 128 HH11 ARG A 9 5.297 -3.659 5.952 1.00 0.00 H ATOM 129 HH12 ARG A 9 5.272 -5.183 6.769 1.00 0.00 H ATOM 130 HH21 ARG A 9 1.978 -4.741 7.991 1.00 0.00 H ATOM 131 HH22 ARG A 9 3.332 -5.816 7.960 1.00 0.00 H ATOM 132 N LYS A 10 6.091 0.885 5.374 1.00 0.00 N ATOM 133 CA LYS A 10 7.245 1.444 6.069 1.00 0.00 C ATOM 134 C LYS A 10 7.664 0.549 7.232 1.00 0.00 C ATOM 135 O LYS A 10 8.839 0.212 7.377 1.00 0.00 O ATOM 136 CB LYS A 10 6.929 2.850 6.580 1.00 0.00 C ATOM 137 CG LYS A 10 8.170 3.692 6.853 1.00 0.00 C ATOM 138 CD LYS A 10 7.844 5.084 7.367 1.00 0.00 C ATOM 139 CE LYS A 10 6.355 5.291 7.467 1.00 0.00 C ATOM 140 NZ LYS A 10 6.004 6.652 7.960 1.00 0.00 N ATOM 141 H LYS A 10 5.213 0.908 5.809 1.00 0.00 H ATOM 142 HA LYS A 10 8.061 1.501 5.364 1.00 0.00 H ATOM 143 HB2 LYS A 10 6.328 3.361 5.842 1.00 0.00 H ATOM 144 HB3 LYS A 10 6.366 2.768 7.497 1.00 0.00 H ATOM 145 HG2 LYS A 10 8.764 3.193 7.594 1.00 0.00 H ATOM 146 HG3 LYS A 10 8.726 3.784 5.939 1.00 0.00 H ATOM 147 HD2 LYS A 10 8.282 5.211 8.345 1.00 0.00 H ATOM 148 HD3 LYS A 10 8.257 5.815 6.687 1.00 0.00 H ATOM 149 HE2 LYS A 10 5.933 5.146 6.487 1.00 0.00 H ATOM 150 HE3 LYS A 10 5.961 4.551 8.142 1.00 0.00 H ATOM 151 HZ1 LYS A 10 5.013 6.673 8.277 1.00 0.00 H ATOM 152 HZ2 LYS A 10 6.128 7.351 7.201 1.00 0.00 H ATOM 153 HZ3 LYS A 10 6.618 6.912 8.759 1.00 0.00 H ATOM 154 N PHE A 11 6.695 0.168 8.058 1.00 0.00 N ATOM 155 CA PHE A 11 6.963 -0.688 9.209 1.00 0.00 C ATOM 156 C PHE A 11 6.201 -2.004 9.096 1.00 0.00 C ATOM 157 O PHE A 11 5.311 -2.148 8.257 1.00 0.00 O ATOM 158 CB PHE A 11 6.579 0.029 10.505 1.00 0.00 C ATOM 159 CG PHE A 11 7.736 0.709 11.181 1.00 0.00 C ATOM 160 CD1 PHE A 11 8.600 -0.009 11.991 1.00 0.00 C ATOM 161 CD2 PHE A 11 7.957 2.066 11.005 1.00 0.00 C ATOM 162 CE1 PHE A 11 9.666 0.614 12.614 1.00 0.00 C ATOM 163 CE2 PHE A 11 9.021 2.693 11.626 1.00 0.00 C ATOM 164 CZ PHE A 11 9.876 1.967 12.431 1.00 0.00 C ATOM 165 H PHE A 11 5.778 0.470 7.891 1.00 0.00 H ATOM 166 HA PHE A 11 8.022 -0.899 9.226 1.00 0.00 H ATOM 167 HB2 PHE A 11 5.836 0.781 10.285 1.00 0.00 H ATOM 168 HB3 PHE A 11 6.164 -0.689 11.197 1.00 0.00 H ATOM 169 HD1 PHE A 11 8.437 -1.067 12.134 1.00 0.00 H ATOM 170 HD2 PHE A 11 7.290 2.634 10.376 1.00 0.00 H ATOM 171 HE1 PHE A 11 10.333 0.043 13.242 1.00 0.00 H ATOM 172 HE2 PHE A 11 9.184 3.751 11.481 1.00 0.00 H ATOM 173 HZ PHE A 11 10.708 2.455 12.916 1.00 0.00 H ATOM 174 N ALA A 12 6.557 -2.962 9.945 1.00 0.00 N ATOM 175 CA ALA A 12 5.906 -4.267 9.941 1.00 0.00 C ATOM 176 C ALA A 12 4.427 -4.144 10.286 1.00 0.00 C ATOM 177 O ALA A 12 3.758 -5.137 10.573 1.00 0.00 O ATOM 178 CB ALA A 12 6.601 -5.206 10.915 1.00 0.00 C ATOM 179 H ALA A 12 7.274 -2.787 10.590 1.00 0.00 H ATOM 180 HA ALA A 12 6.001 -4.683 8.948 1.00 0.00 H ATOM 181 HB1 ALA A 12 6.073 -5.202 11.858 1.00 0.00 H ATOM 182 HB2 ALA A 12 7.618 -4.876 11.072 1.00 0.00 H ATOM 183 HB3 ALA A 12 6.605 -6.207 10.510 1.00 0.00 H HETATM 184 N NH2 A 13 3.902 -2.924 10.261 1.00 0.00 N TER 185 NH2 A 13 HETATM 186 RH RH3 A 14 -1.161 -2.127 -5.702 1.00 0.00 RH HETATM 187 RH RH3 A 15 -0.677 -0.406 -7.279 1.00 0.00 RH HETATM 188 C ACT A 16 1.417 -2.316 -6.919 1.00 0.00 C HETATM 189 O ACT A 16 0.676 -2.911 -6.074 1.00 0.00 O HETATM 190 OXT ACT A 16 1.140 -1.266 -7.580 1.00 0.00 O HETATM 191 CH3 ACT A 16 2.774 -2.927 -7.169 1.00 0.00 C HETATM 192 H1 ACT A 16 3.301 -3.032 -6.232 1.00 0.00 H HETATM 193 H2 ACT A 16 3.340 -2.287 -7.831 1.00 0.00 H HETATM 194 H3 ACT A 16 2.654 -3.899 -7.624 1.00 0.00 H HETATM 195 C ACT A 17 -1.941 -2.719 -8.385 1.00 0.00 C HETATM 196 O ACT A 17 -1.945 -3.226 -7.221 1.00 0.00 O HETATM 197 OXT ACT A 17 -1.484 -1.582 -8.727 1.00 0.00 O HETATM 198 CH3 ACT A 17 -2.537 -3.563 -9.485 1.00 0.00 C HETATM 199 H1 ACT A 17 -2.200 -4.583 -9.379 1.00 0.00 H HETATM 200 H2 ACT A 17 -2.226 -3.177 -10.445 1.00 0.00 H HETATM 201 H3 ACT A 17 -3.616 -3.533 -9.416 1.00 0.00 H ENDMDL MODEL 16 ATOM 1 N PRO A 1 -12.574 -5.763 -3.234 1.00 0.00 N ATOM 2 CA PRO A 1 -11.537 -6.396 -4.095 1.00 0.00 C ATOM 3 C PRO A 1 -10.406 -5.426 -4.427 1.00 0.00 C ATOM 4 O PRO A 1 -9.232 -5.725 -4.204 1.00 0.00 O ATOM 5 CB PRO A 1 -12.226 -6.871 -5.371 1.00 0.00 C ATOM 6 CG PRO A 1 -13.611 -6.328 -5.267 1.00 0.00 C ATOM 7 CD PRO A 1 -13.883 -6.135 -3.795 1.00 0.00 C ATOM 8 H2 PRO A 1 -12.299 -4.767 -3.244 1.00 0.00 H ATOM 9 H3 PRO A 1 -12.293 -6.104 -2.285 1.00 0.00 H ATOM 10 HA PRO A 1 -11.131 -7.249 -3.574 1.00 0.00 H ATOM 11 HB2 PRO A 1 -11.708 -6.476 -6.234 1.00 0.00 H ATOM 12 HB3 PRO A 1 -12.227 -7.950 -5.405 1.00 0.00 H ATOM 13 HG2 PRO A 1 -13.673 -5.382 -5.785 1.00 0.00 H ATOM 14 HG3 PRO A 1 -14.313 -7.033 -5.688 1.00 0.00 H ATOM 15 HD2 PRO A 1 -14.603 -5.343 -3.646 1.00 0.00 H ATOM 16 HD3 PRO A 1 -14.239 -7.056 -3.355 1.00 0.00 H ATOM 17 N PHE A 2 -10.767 -4.263 -4.961 1.00 0.00 N ATOM 18 CA PHE A 2 -9.786 -3.251 -5.324 1.00 0.00 C ATOM 19 C PHE A 2 -9.448 -2.357 -4.123 1.00 0.00 C ATOM 20 O PHE A 2 -9.509 -2.810 -2.981 1.00 0.00 O ATOM 21 CB PHE A 2 -10.301 -2.423 -6.505 1.00 0.00 C ATOM 22 CG PHE A 2 -9.355 -2.410 -7.668 1.00 0.00 C ATOM 23 CD1 PHE A 2 -9.201 -3.537 -8.454 1.00 0.00 C ATOM 24 CD2 PHE A 2 -8.621 -1.277 -7.974 1.00 0.00 C ATOM 25 CE1 PHE A 2 -8.332 -3.537 -9.528 1.00 0.00 C ATOM 26 CE2 PHE A 2 -7.750 -1.269 -9.045 1.00 0.00 C ATOM 27 CZ PHE A 2 -7.604 -2.401 -9.824 1.00 0.00 C ATOM 28 H PHE A 2 -11.716 -4.083 -5.114 1.00 0.00 H ATOM 29 HA PHE A 2 -8.885 -3.768 -5.626 1.00 0.00 H ATOM 30 HB2 PHE A 2 -11.237 -2.839 -6.845 1.00 0.00 H ATOM 31 HB3 PHE A 2 -10.460 -1.403 -6.189 1.00 0.00 H ATOM 32 HD1 PHE A 2 -9.772 -4.425 -8.220 1.00 0.00 H ATOM 33 HD2 PHE A 2 -8.731 -0.394 -7.366 1.00 0.00 H ATOM 34 HE1 PHE A 2 -8.220 -4.424 -10.134 1.00 0.00 H ATOM 35 HE2 PHE A 2 -7.183 -0.378 -9.272 1.00 0.00 H ATOM 36 HZ PHE A 2 -6.924 -2.397 -10.662 1.00 0.00 H ATOM 37 N ALA A 3 -9.065 -1.100 -4.393 1.00 0.00 N ATOM 38 CA ALA A 3 -8.686 -0.141 -3.347 1.00 0.00 C ATOM 39 C ALA A 3 -7.170 -0.076 -3.240 1.00 0.00 C ATOM 40 O ALA A 3 -6.577 -0.566 -2.279 1.00 0.00 O ATOM 41 CB ALA A 3 -9.306 -0.492 -1.998 1.00 0.00 C ATOM 42 H ALA A 3 -9.015 -0.809 -5.327 1.00 0.00 H ATOM 43 HA ALA A 3 -9.054 0.832 -3.645 1.00 0.00 H ATOM 44 HB1 ALA A 3 -10.313 -0.853 -2.148 1.00 0.00 H ATOM 45 HB2 ALA A 3 -9.330 0.389 -1.373 1.00 0.00 H ATOM 46 HB3 ALA A 3 -8.716 -1.258 -1.518 1.00 0.00 H ATOM 47 N ASP A 4 -6.554 0.509 -4.258 1.00 0.00 N ATOM 48 CA ASP A 4 -5.105 0.622 -4.328 1.00 0.00 C ATOM 49 C ASP A 4 -4.630 1.959 -3.737 1.00 0.00 C ATOM 50 O ASP A 4 -4.033 2.779 -4.434 1.00 0.00 O ATOM 51 CB ASP A 4 -4.693 0.466 -5.802 1.00 0.00 C ATOM 52 CG ASP A 4 -3.328 -0.164 -6.016 1.00 0.00 C ATOM 53 OD1 ASP A 4 -3.061 -1.216 -5.395 1.00 0.00 O ATOM 54 OD2 ASP A 4 -2.542 0.382 -6.820 1.00 0.00 O ATOM 55 H ASP A 4 -7.092 0.856 -5.000 1.00 0.00 H ATOM 56 HA ASP A 4 -4.702 -0.200 -3.759 1.00 0.00 H ATOM 57 HB2 ASP A 4 -5.417 -0.181 -6.276 1.00 0.00 H ATOM 58 HB3 ASP A 4 -4.732 1.426 -6.291 1.00 0.00 H ATOM 59 N SER A 5 -4.905 2.165 -2.442 1.00 0.00 N ATOM 60 CA SER A 5 -4.512 3.398 -1.743 1.00 0.00 C ATOM 61 C SER A 5 -3.233 3.181 -0.935 1.00 0.00 C ATOM 62 O SER A 5 -2.321 4.007 -0.960 1.00 0.00 O ATOM 63 CB SER A 5 -5.639 3.880 -0.828 1.00 0.00 C ATOM 64 OG SER A 5 -5.888 2.956 0.217 1.00 0.00 O ATOM 65 H SER A 5 -5.379 1.468 -1.942 1.00 0.00 H ATOM 66 HA SER A 5 -4.315 4.151 -2.491 1.00 0.00 H ATOM 67 HB2 SER A 5 -5.365 4.832 -0.398 1.00 0.00 H ATOM 68 HB3 SER A 5 -6.540 4.006 -1.410 1.00 0.00 H ATOM 69 HG SER A 5 -6.215 2.133 -0.155 1.00 0.00 H ATOM 70 N ILE A 6 -3.147 2.028 -0.283 1.00 0.00 N ATOM 71 CA ILE A 6 -1.960 1.643 0.460 1.00 0.00 C ATOM 72 C ILE A 6 -1.255 0.634 -0.411 1.00 0.00 C ATOM 73 O ILE A 6 -1.755 -0.473 -0.619 1.00 0.00 O ATOM 74 CB ILE A 6 -2.288 1.031 1.836 1.00 0.00 C ATOM 75 CG1 ILE A 6 -3.212 1.960 2.625 1.00 0.00 C ATOM 76 CG2 ILE A 6 -1.010 0.759 2.614 1.00 0.00 C ATOM 77 CD1 ILE A 6 -3.604 1.413 3.981 1.00 0.00 C ATOM 78 H ILE A 6 -3.873 1.385 -0.367 1.00 0.00 H ATOM 79 HA ILE A 6 -1.326 2.511 0.579 1.00 0.00 H ATOM 80 HB ILE A 6 -2.790 0.088 1.675 1.00 0.00 H ATOM 81 HG12 ILE A 6 -2.713 2.905 2.781 1.00 0.00 H ATOM 82 HG13 ILE A 6 -4.116 2.124 2.058 1.00 0.00 H ATOM 83 HG21 ILE A 6 -0.544 -0.141 2.238 1.00 0.00 H ATOM 84 HG22 ILE A 6 -1.244 0.634 3.660 1.00 0.00 H ATOM 85 HG23 ILE A 6 -0.331 1.591 2.493 1.00 0.00 H ATOM 86 HD11 ILE A 6 -4.564 0.925 3.909 1.00 0.00 H ATOM 87 HD12 ILE A 6 -3.665 2.224 4.692 1.00 0.00 H ATOM 88 HD13 ILE A 6 -2.862 0.701 4.311 1.00 0.00 H ATOM 89 N ASP A 7 -0.153 1.050 -1.010 1.00 0.00 N ATOM 90 CA ASP A 7 0.528 0.193 -1.963 1.00 0.00 C ATOM 91 C ASP A 7 1.961 -0.148 -1.561 1.00 0.00 C ATOM 92 O ASP A 7 2.685 -0.810 -2.304 1.00 0.00 O ATOM 93 CB ASP A 7 0.446 0.925 -3.300 1.00 0.00 C ATOM 94 CG ASP A 7 0.009 0.088 -4.465 1.00 0.00 C ATOM 95 OD1 ASP A 7 -0.477 -1.035 -4.220 1.00 0.00 O ATOM 96 OD2 ASP A 7 0.093 0.578 -5.610 1.00 0.00 O ATOM 97 H ASP A 7 0.158 1.964 -0.863 1.00 0.00 H ATOM 98 HA ASP A 7 -0.091 -0.686 -2.004 1.00 0.00 H ATOM 99 HB2 ASP A 7 -0.335 1.668 -3.172 1.00 0.00 H ATOM 100 HB3 ASP A 7 1.350 1.475 -3.498 1.00 0.00 H ATOM 101 N GLY A 8 2.364 0.311 -0.381 1.00 0.00 N ATOM 102 CA GLY A 8 3.707 0.047 0.098 1.00 0.00 C ATOM 103 C GLY A 8 4.305 1.236 0.822 1.00 0.00 C ATOM 104 O GLY A 8 4.133 2.380 0.400 1.00 0.00 O ATOM 105 H GLY A 8 1.744 0.833 0.166 1.00 0.00 H ATOM 106 HA2 GLY A 8 3.677 -0.795 0.774 1.00 0.00 H ATOM 107 HA3 GLY A 8 4.336 -0.202 -0.744 1.00 0.00 H ATOM 108 N ARG A 9 5.011 0.965 1.914 1.00 0.00 N ATOM 109 CA ARG A 9 5.642 2.015 2.701 1.00 0.00 C ATOM 110 C ARG A 9 6.453 1.410 3.844 1.00 0.00 C ATOM 111 O ARG A 9 5.969 0.538 4.565 1.00 0.00 O ATOM 112 CB ARG A 9 4.585 2.973 3.260 1.00 0.00 C ATOM 113 CG ARG A 9 4.537 4.321 2.555 1.00 0.00 C ATOM 114 CD ARG A 9 5.524 5.311 3.166 1.00 0.00 C ATOM 115 NE ARG A 9 6.920 4.912 2.969 1.00 0.00 N ATOM 116 CZ ARG A 9 7.946 5.758 2.992 1.00 0.00 C ATOM 117 NH1 ARG A 9 7.735 7.050 3.243 1.00 0.00 N ATOM 118 NH2 ARG A 9 9.178 5.295 2.775 1.00 0.00 N ATOM 119 H ARG A 9 5.113 0.034 2.196 1.00 0.00 H ATOM 120 HA ARG A 9 6.306 2.561 2.050 1.00 0.00 H ATOM 121 HB2 ARG A 9 3.613 2.511 3.165 1.00 0.00 H ATOM 122 HB3 ARG A 9 4.788 3.147 4.306 1.00 0.00 H ATOM 123 HG2 ARG A 9 4.772 4.185 1.510 1.00 0.00 H ATOM 124 HG3 ARG A 9 3.538 4.725 2.647 1.00 0.00 H ATOM 125 HD2 ARG A 9 5.370 6.276 2.708 1.00 0.00 H ATOM 126 HD3 ARG A 9 5.327 5.385 4.226 1.00 0.00 H ATOM 127 HE ARG A 9 7.104 3.968 2.808 1.00 0.00 H ATOM 128 HH11 ARG A 9 6.806 7.376 3.414 1.00 0.00 H ATOM 129 HH12 ARG A 9 8.497 7.697 3.263 1.00 0.00 H ATOM 130 HH21 ARG A 9 9.317 4.320 2.599 1.00 0.00 H ATOM 131 HH22 ARG A 9 9.966 5.912 2.787 1.00 0.00 H ATOM 132 N LYS A 10 7.688 1.874 4.003 1.00 0.00 N ATOM 133 CA LYS A 10 8.559 1.368 5.060 1.00 0.00 C ATOM 134 C LYS A 10 9.680 2.355 5.375 1.00 0.00 C ATOM 135 O LYS A 10 9.979 2.615 6.541 1.00 0.00 O ATOM 136 CB LYS A 10 9.154 0.019 4.655 1.00 0.00 C ATOM 137 CG LYS A 10 9.428 -0.903 5.831 1.00 0.00 C ATOM 138 CD LYS A 10 8.158 -1.589 6.309 1.00 0.00 C ATOM 139 CE LYS A 10 8.352 -2.228 7.675 1.00 0.00 C ATOM 140 NZ LYS A 10 7.519 -3.451 7.839 1.00 0.00 N ATOM 141 H LYS A 10 8.021 2.568 3.397 1.00 0.00 H ATOM 142 HA LYS A 10 7.957 1.233 5.945 1.00 0.00 H ATOM 143 HB2 LYS A 10 8.465 -0.479 3.987 1.00 0.00 H ATOM 144 HB3 LYS A 10 10.084 0.191 4.134 1.00 0.00 H ATOM 145 HG2 LYS A 10 10.140 -1.657 5.528 1.00 0.00 H ATOM 146 HG3 LYS A 10 9.841 -0.322 6.642 1.00 0.00 H ATOM 147 HD2 LYS A 10 7.368 -0.856 6.375 1.00 0.00 H ATOM 148 HD3 LYS A 10 7.885 -2.355 5.599 1.00 0.00 H ATOM 149 HE2 LYS A 10 9.391 -2.494 7.790 1.00 0.00 H ATOM 150 HE3 LYS A 10 8.078 -1.511 8.435 1.00 0.00 H ATOM 151 HZ1 LYS A 10 6.574 -3.195 8.195 1.00 0.00 H ATOM 152 HZ2 LYS A 10 7.967 -4.101 8.515 1.00 0.00 H ATOM 153 HZ3 LYS A 10 7.413 -3.937 6.925 1.00 0.00 H ATOM 154 N PHE A 11 10.300 2.897 4.333 1.00 0.00 N ATOM 155 CA PHE A 11 11.393 3.850 4.505 1.00 0.00 C ATOM 156 C PHE A 11 10.882 5.180 5.052 1.00 0.00 C ATOM 157 O PHE A 11 10.957 6.211 4.382 1.00 0.00 O ATOM 158 CB PHE A 11 12.115 4.074 3.174 1.00 0.00 C ATOM 159 CG PHE A 11 12.485 2.801 2.470 1.00 0.00 C ATOM 160 CD1 PHE A 11 13.238 1.834 3.114 1.00 0.00 C ATOM 161 CD2 PHE A 11 12.084 2.574 1.164 1.00 0.00 C ATOM 162 CE1 PHE A 11 13.583 0.663 2.469 1.00 0.00 C ATOM 163 CE2 PHE A 11 12.425 1.404 0.514 1.00 0.00 C ATOM 164 CZ PHE A 11 13.175 0.446 1.167 1.00 0.00 C ATOM 165 H PHE A 11 10.021 2.648 3.427 1.00 0.00 H ATOM 166 HA PHE A 11 12.090 3.428 5.213 1.00 0.00 H ATOM 167 HB2 PHE A 11 11.475 4.643 2.516 1.00 0.00 H ATOM 168 HB3 PHE A 11 13.022 4.630 3.354 1.00 0.00 H ATOM 169 HD1 PHE A 11 13.556 2.001 4.132 1.00 0.00 H ATOM 170 HD2 PHE A 11 11.496 3.322 0.652 1.00 0.00 H ATOM 171 HE1 PHE A 11 14.170 -0.084 2.983 1.00 0.00 H ATOM 172 HE2 PHE A 11 12.105 1.239 -0.504 1.00 0.00 H ATOM 173 HZ PHE A 11 13.444 -0.468 0.661 1.00 0.00 H ATOM 174 N ALA A 12 10.366 5.153 6.277 1.00 0.00 N ATOM 175 CA ALA A 12 9.845 6.355 6.915 1.00 0.00 C ATOM 176 C ALA A 12 10.633 6.692 8.177 1.00 0.00 C ATOM 177 O ALA A 12 10.200 6.394 9.291 1.00 0.00 O ATOM 178 CB ALA A 12 8.369 6.183 7.242 1.00 0.00 C ATOM 179 H ALA A 12 10.335 4.303 6.764 1.00 0.00 H ATOM 180 HA ALA A 12 9.942 7.173 6.215 1.00 0.00 H ATOM 181 HB1 ALA A 12 8.154 5.135 7.390 1.00 0.00 H ATOM 182 HB2 ALA A 12 7.773 6.561 6.424 1.00 0.00 H ATOM 183 HB3 ALA A 12 8.134 6.729 8.142 1.00 0.00 H HETATM 184 N NH2 A 13 11.794 7.313 8.014 1.00 0.00 N TER 185 NH2 A 13 HETATM 186 RH RH3 A 14 -1.236 -2.217 -5.668 1.00 0.00 RH HETATM 187 RH RH3 A 15 -0.650 -0.500 -7.214 1.00 0.00 RH HETATM 188 C ACT A 16 1.360 -2.493 -6.827 1.00 0.00 C HETATM 189 O ACT A 16 0.578 -3.068 -6.006 1.00 0.00 O HETATM 190 OXT ACT A 16 1.138 -1.428 -7.483 1.00 0.00 O HETATM 191 CH3 ACT A 16 2.698 -3.153 -7.054 1.00 0.00 C HETATM 192 H1 ACT A 16 3.434 -2.401 -7.299 1.00 0.00 H HETATM 193 H2 ACT A 16 2.619 -3.859 -7.867 1.00 0.00 H HETATM 194 H3 ACT A 16 3.000 -3.672 -6.155 1.00 0.00 H HETATM 195 C ACT A 17 -1.976 -2.751 -8.372 1.00 0.00 C HETATM 196 O ACT A 17 -2.027 -3.270 -7.214 1.00 0.00 O HETATM 197 OXT ACT A 17 -1.469 -1.631 -8.693 1.00 0.00 O HETATM 198 CH3 ACT A 17 -2.579 -3.562 -9.495 1.00 0.00 C HETATM 199 H1 ACT A 17 -3.658 -3.471 -9.464 1.00 0.00 H HETATM 200 H2 ACT A 17 -2.303 -4.600 -9.379 1.00 0.00 H HETATM 201 H3 ACT A 17 -2.214 -3.194 -10.442 1.00 0.00 H ENDMDL CONECT 53 186 CONECT 54 187 CONECT 95 186 CONECT 96 187 CONECT 186 53 95 189 196 CONECT 187 54 96 190 197 CONECT 188 189 190 191 CONECT 189 186 188 CONECT 190 187 188 CONECT 191 188 192 193 194 CONECT 192 191 CONECT 193 191 CONECT 194 191 CONECT 195 196 197 198 CONECT 196 186 195 CONECT 197 187 195 CONECT 198 195 199 200 201 CONECT 199 198 CONECT 200 198 CONECT 201 198 MASTER 221 0 5 0 0 0 0 6 104 1 20 1 END