HEADER NEUROPEPTIDE 09-DEC-10 SMS21001 TITLE NMR SOLUTION OF A TRIDIMENSIONAL PEPTIDIC STRUCTURE IN BILAYER LIPIDS: TITLE 2 EXAMPLE WITH NEUROTENSIN IN SMALL UNILAMELLAR VESICULE ENVIRONMENT COMPND MOL_ID: 1; COMPND 2 MOLECULE: NEUROTENSIN; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: NT; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 4 ORGANISM_COMMON: HUMAN; SOURCE 5 ORGANISM_TAXID: 9606; SOURCE 6 OTHER_DETAILS: CHEMICAL SYNTHESIZED KEYWDS PEPTIDE NEUROTENSIN, NEUROPEPTIDE EXPDTA SOLUTION NMR NUMMDL 24 AUTHOR J.MONTI,G.DA COSTA,A.BONDON JRNL AUTH G.DA COSTA,A.BONDON,J.MONTI JRNL TITL ELUCIDATION BY NMR SOLUTION OF A TRIDIMENSIONAL PEPTIDIC JRNL TITL 2 STRUCTURE IN BILAYER LIPIDS: EXAMPLE WITH NEUROTENSIN IN JRNL TITL 3 SMALL UNILAMELLAR VESICULE ENVIRONMENT JRNL REF TO BE PUBLISHED JRNL REFN REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : INSIGHTII REMARK 3 AUTHORS : ACCELRYS SOFTWARE INC. REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 NULL COMPLIES WITH FORMAT V. 3.20, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 15-DEC-10. REMARK 100 THE BMRB ID CODE IS SMS21001. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 313 REMARK 210 PH : 6.3 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : 0.6 MM NEUROTENSIN; SUV REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D 1H-1H TOCSY; 2D 1H-1H NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ; 600 MHZ REMARK 210 SPECTROMETER MODEL : AVANCE REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : TOPSPIN, SPARKY, INSIGHTII, REMARK 210 PROCHECKNMR REMARK 210 METHOD USED : DGSA-DISTANCE GEOMETRY SIMULATED REMARK 210 ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 100 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 24 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST REMARK 210 ENERGY AND WITH THE LEAST REMARK 210 RESTRAINT VIOLATIONS REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 1 ARG A 8 NE - CZ - NH1 ANGL. DEV. = 3.6 DEGREES REMARK 500 1 ARG A 9 NE - CZ - NH1 ANGL. DEV. = 3.5 DEGREES REMARK 500 2 ARG A 8 NE - CZ - NH1 ANGL. DEV. = 3.5 DEGREES REMARK 500 2 ARG A 9 NE - CZ - NH1 ANGL. DEV. = 3.4 DEGREES REMARK 500 3 ARG A 8 NE - CZ - NH1 ANGL. DEV. = 3.4 DEGREES REMARK 500 3 ARG A 9 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES REMARK 500 4 ARG A 8 NE - CZ - NH1 ANGL. DEV. = 3.6 DEGREES REMARK 500 4 ARG A 9 NE - CZ - NH1 ANGL. DEV. = 3.6 DEGREES REMARK 500 5 ARG A 8 NE - CZ - NH1 ANGL. DEV. = 3.6 DEGREES REMARK 500 5 ARG A 9 NE - CZ - NH1 ANGL. DEV. = 3.5 DEGREES REMARK 500 6 ARG A 8 NE - CZ - NH1 ANGL. DEV. = 3.5 DEGREES REMARK 500 6 ARG A 9 NE - CZ - NH1 ANGL. DEV. = 3.5 DEGREES REMARK 500 7 ARG A 8 NE - CZ - NH1 ANGL. DEV. = 3.3 DEGREES REMARK 500 7 ARG A 9 NE - CZ - NH1 ANGL. DEV. = 3.6 DEGREES REMARK 500 8 ARG A 8 NE - CZ - NH1 ANGL. DEV. = 3.6 DEGREES REMARK 500 8 ARG A 9 NE - CZ - NH1 ANGL. DEV. = 3.6 DEGREES REMARK 500 9 ARG A 8 NE - CZ - NH1 ANGL. DEV. = 3.5 DEGREES REMARK 500 9 ARG A 9 NE - CZ - NH1 ANGL. DEV. = 3.5 DEGREES REMARK 500 10 ARG A 8 NE - CZ - NH1 ANGL. DEV. = 3.5 DEGREES REMARK 500 10 ARG A 9 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES REMARK 500 11 ARG A 8 NE - CZ - NH1 ANGL. DEV. = 3.2 DEGREES REMARK 500 11 ARG A 9 NE - CZ - NH1 ANGL. DEV. = 3.3 DEGREES REMARK 500 12 ARG A 8 NE - CZ - NH1 ANGL. DEV. = 3.8 DEGREES REMARK 500 12 ARG A 9 NE - CZ - NH1 ANGL. DEV. = 3.4 DEGREES REMARK 500 13 ARG A 8 NE - CZ - NH1 ANGL. DEV. = 3.5 DEGREES REMARK 500 13 ARG A 9 NE - CZ - NH1 ANGL. DEV. = 3.5 DEGREES REMARK 500 14 ARG A 8 NE - CZ - NH1 ANGL. DEV. = 3.4 DEGREES REMARK 500 14 ARG A 9 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES REMARK 500 15 ARG A 8 NE - CZ - NH1 ANGL. DEV. = 3.5 DEGREES REMARK 500 15 ARG A 9 NE - CZ - NH1 ANGL. DEV. = 3.4 DEGREES REMARK 500 16 ARG A 8 NE - CZ - NH1 ANGL. DEV. = 3.5 DEGREES REMARK 500 16 ARG A 9 NE - CZ - NH1 ANGL. DEV. = 3.5 DEGREES REMARK 500 17 ARG A 8 NE - CZ - NH1 ANGL. DEV. = 3.4 DEGREES REMARK 500 17 ARG A 9 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES REMARK 500 18 ARG A 8 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES REMARK 500 18 ARG A 9 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES REMARK 500 19 ARG A 8 NE - CZ - NH1 ANGL. DEV. = 3.5 DEGREES REMARK 500 19 ARG A 9 NE - CZ - NH1 ANGL. DEV. = 3.8 DEGREES REMARK 500 20 ARG A 8 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES REMARK 500 20 ARG A 9 NE - CZ - NH1 ANGL. DEV. = 3.4 DEGREES REMARK 500 21 ARG A 8 NE - CZ - NH1 ANGL. DEV. = 3.6 DEGREES REMARK 500 21 ARG A 9 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES REMARK 500 22 ARG A 8 NE - CZ - NH1 ANGL. DEV. = 3.5 DEGREES REMARK 500 22 ARG A 9 NE - CZ - NH1 ANGL. DEV. = 3.5 DEGREES REMARK 500 23 ARG A 8 NE - CZ - NH1 ANGL. DEV. = 3.4 DEGREES REMARK 500 23 ARG A 9 NE - CZ - NH1 ANGL. DEV. = 3.5 DEGREES REMARK 500 24 ARG A 8 NE - CZ - NH1 ANGL. DEV. = 3.5 DEGREES REMARK 500 24 ARG A 9 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 1 TYR A 11 -61.53 -137.44 REMARK 500 2 TYR A 3 -63.27 -122.17 REMARK 500 2 ARG A 8 -57.50 -129.74 REMARK 500 2 TYR A 11 -58.29 -153.57 REMARK 500 3 TYR A 3 -71.62 -119.38 REMARK 500 3 GLU A 4 -71.52 -99.09 REMARK 500 3 PRO A 10 94.29 -67.34 REMARK 500 3 TYR A 11 -51.75 -136.36 REMARK 500 4 TYR A 3 -57.39 -130.42 REMARK 500 4 TYR A 11 -60.88 -139.67 REMARK 500 5 TYR A 11 -62.39 -133.99 REMARK 500 6 GLU A 4 -60.64 -135.08 REMARK 500 6 TYR A 11 -60.72 -138.93 REMARK 500 7 GLU A 4 -65.88 -130.93 REMARK 500 7 TYR A 11 -52.16 -135.07 REMARK 500 8 LEU A 2 -57.46 -132.70 REMARK 500 8 ARG A 8 -59.79 -125.78 REMARK 500 8 TYR A 11 -61.33 -137.17 REMARK 500 9 GLU A 4 -63.07 -133.27 REMARK 500 9 TYR A 11 -60.40 -135.62 REMARK 500 10 TYR A 11 -52.16 -132.33 REMARK 500 11 TYR A 11 -59.80 -135.79 REMARK 500 13 TYR A 11 -61.73 -137.96 REMARK 500 14 GLU A 4 -71.56 -136.19 REMARK 500 14 ARG A 8 -54.58 -132.14 REMARK 500 14 TYR A 11 -58.90 -136.87 REMARK 500 15 TYR A 11 -58.51 -130.58 REMARK 500 16 ARG A 8 -61.84 -126.68 REMARK 500 16 TYR A 11 -59.05 -141.40 REMARK 500 17 TYR A 11 -56.92 -131.53 REMARK 500 18 PRO A 7 94.25 -66.12 REMARK 500 19 TYR A 3 -64.17 -121.98 REMARK 500 19 TYR A 11 -55.22 -133.38 REMARK 500 20 GLU A 4 -62.45 -140.49 REMARK 500 20 TYR A 11 -54.58 -132.04 REMARK 500 21 TYR A 11 -60.00 -137.10 REMARK 500 22 GLU A 4 -61.64 -136.27 REMARK 500 22 ARG A 8 -57.42 -134.27 REMARK 500 22 TYR A 11 -61.08 -135.06 REMARK 500 23 LEU A 2 -62.73 -124.74 REMARK 500 23 ARG A 8 -61.53 -125.56 REMARK 500 23 TYR A 11 -60.18 -137.84 REMARK 500 24 ARG A 8 -58.12 -131.99 REMARK 500 24 TYR A 11 -52.71 -136.55 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 21001 RELATED DB: BMRB REMARK 999 REMARK 999 SEQUENCE REMARK 999 IN VIVO, NEUROTENSIN IS PRODUCED BY PROTEOLYTIC CLEAVAGE OF REMARK 999 THE GENE PRODUCT, AND THE RESULTING N-TERMINAL GLUTAMATE IS REMARK 999 NATURALLY CONVERTED TO PYROGLUTAMATE. DBREF A 1 13 UNP P30990 NEUT_HUMAN 151 163 SEQADV PCA A 1 UNP P30990 GLN 151 SEE REMARK 999 SEQRES 1 A 13 PCA LEU TYR GLU ASN LYS PRO ARG ARG PRO TYR ILE LEU MODRES PCA A 1 GLU PYROGLUTAMIC ACID HET PCA A 1 14 HETNAM PCA PYROGLUTAMIC ACID FORMUL 1 PCA C5 H7 N O3 LINK C PCA A 1 N LEU A 2 1555 1555 1.35 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 HETATM 1 N PCA A 1 4.298 -18.848 -2.642 1.00 0.00 N HETATM 2 CA PCA A 1 3.869 -20.050 -1.899 1.00 0.00 C HETATM 3 CB PCA A 1 4.712 -19.924 -0.608 1.00 0.00 C HETATM 4 CG PCA A 1 5.114 -18.442 -0.517 1.00 0.00 C HETATM 5 CD PCA A 1 4.981 -17.972 -1.948 1.00 0.00 C HETATM 6 OE PCA A 1 5.431 -16.927 -2.405 1.00 0.00 O HETATM 7 C PCA A 1 2.329 -20.223 -1.688 1.00 0.00 C HETATM 8 O PCA A 1 1.809 -21.313 -1.945 1.00 0.00 O HETATM 9 H1 PCA A 1 4.190 -18.652 -3.642 1.00 0.00 H HETATM 10 HA PCA A 1 4.211 -20.943 -2.457 1.00 0.00 H HETATM 11 HB2 PCA A 1 5.623 -20.548 -0.701 1.00 0.00 H HETATM 12 HB3 PCA A 1 4.189 -20.280 0.301 1.00 0.00 H HETATM 13 HG2 PCA A 1 4.426 -17.864 0.126 1.00 0.00 H HETATM 14 HG3 PCA A 1 6.142 -18.297 -0.138 1.00 0.00 H ATOM 15 N LEU A 2 1.593 -19.186 -1.237 1.00 0.00 N ATOM 16 CA LEU A 2 0.111 -19.252 -1.072 1.00 0.00 C ATOM 17 C LEU A 2 -0.613 -18.993 -2.436 1.00 0.00 C ATOM 18 O LEU A 2 -0.904 -17.850 -2.800 1.00 0.00 O ATOM 19 CB LEU A 2 -0.338 -18.257 0.041 1.00 0.00 C ATOM 20 CG LEU A 2 0.073 -18.589 1.503 1.00 0.00 C ATOM 21 CD1 LEU A 2 -0.102 -17.355 2.406 1.00 0.00 C ATOM 22 CD2 LEU A 2 -0.739 -19.757 2.096 1.00 0.00 C ATOM 23 H LEU A 2 2.119 -18.310 -1.149 1.00 0.00 H ATOM 24 HA LEU A 2 -0.179 -20.264 -0.722 1.00 0.00 H ATOM 25 HB2 LEU A 2 0.030 -17.248 -0.231 1.00 0.00 H ATOM 26 HB3 LEU A 2 -1.440 -18.150 0.008 1.00 0.00 H ATOM 27 HG LEU A 2 1.146 -18.865 1.521 1.00 0.00 H ATOM 28 HD11 LEU A 2 0.223 -17.557 3.444 1.00 0.00 H ATOM 29 HD12 LEU A 2 0.499 -16.498 2.049 1.00 0.00 H ATOM 30 HD13 LEU A 2 -1.155 -17.017 2.454 1.00 0.00 H ATOM 31 HD21 LEU A 2 -1.821 -19.530 2.144 1.00 0.00 H ATOM 32 HD22 LEU A 2 -0.625 -20.686 1.509 1.00 0.00 H ATOM 33 HD23 LEU A 2 -0.412 -19.997 3.126 1.00 0.00 H ATOM 34 N TYR A 3 -0.887 -20.074 -3.189 1.00 0.00 N ATOM 35 CA TYR A 3 -1.556 -19.990 -4.521 1.00 0.00 C ATOM 36 C TYR A 3 -3.120 -19.895 -4.427 1.00 0.00 C ATOM 37 O TYR A 3 -3.691 -18.919 -4.918 1.00 0.00 O ATOM 38 CB TYR A 3 -1.000 -21.159 -5.389 1.00 0.00 C ATOM 39 CG TYR A 3 -1.436 -21.147 -6.866 1.00 0.00 C ATOM 40 CD1 TYR A 3 -0.707 -20.432 -7.823 1.00 0.00 C ATOM 41 CD2 TYR A 3 -2.584 -21.843 -7.260 1.00 0.00 C ATOM 42 CE1 TYR A 3 -1.129 -20.406 -9.152 1.00 0.00 C ATOM 43 CE2 TYR A 3 -3.008 -21.810 -8.586 1.00 0.00 C ATOM 44 CZ TYR A 3 -2.281 -21.091 -9.530 1.00 0.00 C ATOM 45 OH TYR A 3 -2.699 -21.051 -10.833 1.00 0.00 O ATOM 46 H TYR A 3 -0.442 -20.935 -2.850 1.00 0.00 H ATOM 47 HA TYR A 3 -1.229 -19.054 -5.020 1.00 0.00 H ATOM 48 HB2 TYR A 3 0.108 -21.151 -5.355 1.00 0.00 H ATOM 49 HB3 TYR A 3 -1.270 -22.130 -4.931 1.00 0.00 H ATOM 50 HD1 TYR A 3 0.185 -19.890 -7.540 1.00 0.00 H ATOM 51 HD2 TYR A 3 -3.158 -22.399 -6.535 1.00 0.00 H ATOM 52 HE1 TYR A 3 -0.569 -19.852 -9.891 1.00 0.00 H ATOM 53 HE2 TYR A 3 -3.905 -22.341 -8.870 1.00 0.00 H ATOM 54 HH TYR A 3 -3.515 -21.550 -10.908 1.00 0.00 H ATOM 55 N GLU A 4 -3.808 -20.884 -3.819 1.00 0.00 N ATOM 56 CA GLU A 4 -5.283 -20.832 -3.609 1.00 0.00 C ATOM 57 C GLU A 4 -5.649 -20.056 -2.302 1.00 0.00 C ATOM 58 O GLU A 4 -5.264 -20.445 -1.192 1.00 0.00 O ATOM 59 CB GLU A 4 -5.873 -22.267 -3.548 1.00 0.00 C ATOM 60 CG GLU A 4 -5.933 -23.043 -4.885 1.00 0.00 C ATOM 61 CD GLU A 4 -6.527 -24.433 -4.734 1.00 0.00 C ATOM 62 OE1 GLU A 4 -7.764 -24.548 -4.604 1.00 0.00 O ATOM 63 OE2 GLU A 4 -5.756 -25.415 -4.741 1.00 0.00 O ATOM 64 H GLU A 4 -3.230 -21.631 -3.426 1.00 0.00 H ATOM 65 HA GLU A 4 -5.756 -20.332 -4.481 1.00 0.00 H ATOM 66 HB2 GLU A 4 -5.330 -22.865 -2.790 1.00 0.00 H ATOM 67 HB3 GLU A 4 -6.912 -22.209 -3.165 1.00 0.00 H ATOM 68 HG2 GLU A 4 -6.540 -22.504 -5.633 1.00 0.00 H ATOM 69 HG3 GLU A 4 -4.929 -23.155 -5.325 1.00 0.00 H ATOM 70 N ASN A 5 -6.444 -18.982 -2.437 1.00 0.00 N ATOM 71 CA ASN A 5 -6.929 -18.180 -1.279 1.00 0.00 C ATOM 72 C ASN A 5 -8.299 -18.726 -0.757 1.00 0.00 C ATOM 73 O ASN A 5 -9.300 -18.744 -1.481 1.00 0.00 O ATOM 74 CB ASN A 5 -7.035 -16.682 -1.680 1.00 0.00 C ATOM 75 CG ASN A 5 -5.703 -15.966 -1.942 1.00 0.00 C ATOM 76 OD1 ASN A 5 -5.214 -15.902 -3.062 1.00 0.00 O ATOM 77 ND2 ASN A 5 -5.081 -15.396 -0.937 1.00 0.00 N ATOM 78 H ASN A 5 -6.664 -18.732 -3.407 1.00 0.00 H ATOM 79 HA ASN A 5 -6.183 -18.238 -0.458 1.00 0.00 H ATOM 80 HB2 ASN A 5 -7.662 -16.577 -2.585 1.00 0.00 H ATOM 81 HB3 ASN A 5 -7.590 -16.123 -0.902 1.00 0.00 H ATOM 82 HD21 ASN A 5 -5.539 -15.411 -0.023 1.00 0.00 H ATOM 83 HD22 ASN A 5 -4.215 -14.920 -1.209 1.00 0.00 H ATOM 84 N LYS A 6 -8.341 -19.148 0.518 1.00 0.00 N ATOM 85 CA LYS A 6 -9.583 -19.646 1.174 1.00 0.00 C ATOM 86 C LYS A 6 -10.358 -18.448 1.850 1.00 0.00 C ATOM 87 O LYS A 6 -9.763 -17.823 2.739 1.00 0.00 O ATOM 88 CB LYS A 6 -9.209 -20.734 2.230 1.00 0.00 C ATOM 89 CG LYS A 6 -8.746 -22.133 1.732 1.00 0.00 C ATOM 90 CD LYS A 6 -7.253 -22.235 1.328 1.00 0.00 C ATOM 91 CE LYS A 6 -6.790 -23.628 0.842 1.00 0.00 C ATOM 92 NZ LYS A 6 -6.579 -24.568 1.980 1.00 0.00 N1+ ATOM 93 H LYS A 6 -7.460 -19.052 1.032 1.00 0.00 H ATOM 94 HA LYS A 6 -10.229 -20.144 0.427 1.00 0.00 H ATOM 95 HB2 LYS A 6 -8.481 -20.324 2.958 1.00 0.00 H ATOM 96 HB3 LYS A 6 -10.114 -20.910 2.846 1.00 0.00 H ATOM 97 HG2 LYS A 6 -8.946 -22.860 2.542 1.00 0.00 H ATOM 98 HG3 LYS A 6 -9.393 -22.461 0.894 1.00 0.00 H ATOM 99 HD2 LYS A 6 -7.065 -21.522 0.502 1.00 0.00 H ATOM 100 HD3 LYS A 6 -6.606 -21.870 2.151 1.00 0.00 H ATOM 101 HE2 LYS A 6 -7.514 -24.039 0.101 1.00 0.00 H ATOM 102 HE3 LYS A 6 -5.848 -23.511 0.260 1.00 0.00 H ATOM 103 HZ1 LYS A 6 -7.435 -24.724 2.528 1.00 0.00 H ATOM 104 HZ2 LYS A 6 -5.881 -24.223 2.651 1.00 0.00 H ATOM 105 HZ3 LYS A 6 -6.255 -25.500 1.687 1.00 0.00 H ATOM 106 N PRO A 7 -11.643 -18.088 1.530 1.00 0.00 N ATOM 107 CA PRO A 7 -12.345 -16.941 2.183 1.00 0.00 C ATOM 108 C PRO A 7 -12.628 -17.094 3.716 1.00 0.00 C ATOM 109 O PRO A 7 -13.419 -17.943 4.137 1.00 0.00 O ATOM 110 CB PRO A 7 -13.634 -16.792 1.346 1.00 0.00 C ATOM 111 CG PRO A 7 -13.321 -17.462 0.009 1.00 0.00 C ATOM 112 CD PRO A 7 -12.398 -18.624 0.376 1.00 0.00 C ATOM 113 HA PRO A 7 -11.734 -16.033 2.003 1.00 0.00 H ATOM 114 HB2 PRO A 7 -14.491 -17.309 1.821 1.00 0.00 H ATOM 115 HB3 PRO A 7 -13.940 -15.735 1.224 1.00 0.00 H ATOM 116 HG2 PRO A 7 -14.233 -17.793 -0.524 1.00 0.00 H ATOM 117 HG3 PRO A 7 -12.794 -16.755 -0.661 1.00 0.00 H ATOM 118 HD2 PRO A 7 -12.982 -19.515 0.680 1.00 0.00 H ATOM 119 HD3 PRO A 7 -11.772 -18.903 -0.493 1.00 0.00 H ATOM 120 N ARG A 8 -11.967 -16.264 4.542 1.00 0.00 N ATOM 121 CA ARG A 8 -12.114 -16.304 6.030 1.00 0.00 C ATOM 122 C ARG A 8 -13.256 -15.364 6.564 1.00 0.00 C ATOM 123 O ARG A 8 -14.156 -15.848 7.253 1.00 0.00 O ATOM 124 CB ARG A 8 -10.702 -16.051 6.643 1.00 0.00 C ATOM 125 CG ARG A 8 -10.537 -16.265 8.175 1.00 0.00 C ATOM 126 CD ARG A 8 -10.382 -17.724 8.670 1.00 0.00 C ATOM 127 NE ARG A 8 -9.036 -18.309 8.379 1.00 0.00 N ATOM 128 CZ ARG A 8 -7.983 -18.322 9.202 1.00 0.00 C ATOM 129 NH1 ARG A 8 -7.985 -17.790 10.398 1.00 0.00 N ATOM 130 NH2 ARG A 8 -6.886 -18.894 8.792 1.00 0.00 N ATOM 131 H ARG A 8 -11.229 -15.730 4.074 1.00 0.00 H ATOM 132 HA ARG A 8 -12.406 -17.331 6.332 1.00 0.00 H ATOM 133 HB2 ARG A 8 -9.949 -16.676 6.121 1.00 0.00 H ATOM 134 HB3 ARG A 8 -10.400 -15.013 6.404 1.00 0.00 H ATOM 135 HG2 ARG A 8 -9.666 -15.676 8.523 1.00 0.00 H ATOM 136 HG3 ARG A 8 -11.396 -15.799 8.697 1.00 0.00 H ATOM 137 HD2 ARG A 8 -10.629 -17.786 9.749 1.00 0.00 H ATOM 138 HD3 ARG A 8 -11.162 -18.358 8.200 1.00 0.00 H ATOM 139 HE ARG A 8 -8.856 -18.759 7.476 1.00 0.00 H ATOM 140 HH11 ARG A 8 -8.867 -17.347 10.661 1.00 0.00 H ATOM 141 HH12 ARG A 8 -7.134 -17.851 10.961 1.00 0.00 H ATOM 142 HH21 ARG A 8 -6.898 -19.307 7.857 1.00 0.00 H ATOM 143 HH22 ARG A 8 -6.092 -18.896 9.434 1.00 0.00 H ATOM 144 N ARG A 9 -13.234 -14.044 6.270 1.00 0.00 N ATOM 145 CA ARG A 9 -14.363 -13.117 6.601 1.00 0.00 C ATOM 146 C ARG A 9 -15.621 -13.271 5.651 1.00 0.00 C ATOM 147 O ARG A 9 -15.436 -13.683 4.500 1.00 0.00 O ATOM 148 CB ARG A 9 -13.796 -11.663 6.708 1.00 0.00 C ATOM 149 CG ARG A 9 -13.341 -10.945 5.405 1.00 0.00 C ATOM 150 CD ARG A 9 -12.720 -9.539 5.574 1.00 0.00 C ATOM 151 NE ARG A 9 -11.325 -9.604 6.098 1.00 0.00 N ATOM 152 CZ ARG A 9 -10.439 -8.604 6.085 1.00 0.00 C ATOM 153 NH1 ARG A 9 -10.693 -7.411 5.606 1.00 0.00 N ATOM 154 NH2 ARG A 9 -9.252 -8.823 6.575 1.00 0.00 N ATOM 155 H ARG A 9 -12.508 -13.793 5.594 1.00 0.00 H ATOM 156 HA ARG A 9 -14.704 -13.382 7.620 1.00 0.00 H ATOM 157 HB2 ARG A 9 -14.565 -11.029 7.190 1.00 0.00 H ATOM 158 HB3 ARG A 9 -12.964 -11.665 7.438 1.00 0.00 H ATOM 159 HG2 ARG A 9 -12.662 -11.591 4.814 1.00 0.00 H ATOM 160 HG3 ARG A 9 -14.234 -10.828 4.764 1.00 0.00 H ATOM 161 HD2 ARG A 9 -12.736 -9.042 4.582 1.00 0.00 H ATOM 162 HD3 ARG A 9 -13.358 -8.915 6.233 1.00 0.00 H ATOM 163 HE ARG A 9 -10.969 -10.470 6.511 1.00 0.00 H ATOM 164 HH11 ARG A 9 -11.639 -7.293 5.240 1.00 0.00 H ATOM 165 HH12 ARG A 9 -9.952 -6.707 5.632 1.00 0.00 H ATOM 166 HH21 ARG A 9 -9.066 -9.755 6.948 1.00 0.00 H ATOM 167 HH22 ARG A 9 -8.588 -8.046 6.555 1.00 0.00 H ATOM 168 N PRO A 10 -16.899 -12.957 6.038 1.00 0.00 N ATOM 169 CA PRO A 10 -18.073 -13.118 5.129 1.00 0.00 C ATOM 170 C PRO A 10 -18.220 -11.960 4.084 1.00 0.00 C ATOM 171 O PRO A 10 -18.666 -10.855 4.409 1.00 0.00 O ATOM 172 CB PRO A 10 -19.239 -13.239 6.132 1.00 0.00 C ATOM 173 CG PRO A 10 -18.803 -12.438 7.361 1.00 0.00 C ATOM 174 CD PRO A 10 -17.284 -12.627 7.427 1.00 0.00 C ATOM 175 HA PRO A 10 -18.008 -14.086 4.591 1.00 0.00 H ATOM 176 HB2 PRO A 10 -20.208 -12.890 5.722 1.00 0.00 H ATOM 177 HB3 PRO A 10 -19.388 -14.301 6.411 1.00 0.00 H ATOM 178 HG2 PRO A 10 -19.051 -11.368 7.219 1.00 0.00 H ATOM 179 HG3 PRO A 10 -19.315 -12.767 8.285 1.00 0.00 H ATOM 180 HD2 PRO A 10 -16.788 -11.711 7.799 1.00 0.00 H ATOM 181 HD3 PRO A 10 -17.029 -13.458 8.114 1.00 0.00 H ATOM 182 N TYR A 11 -17.827 -12.228 2.826 1.00 0.00 N ATOM 183 CA TYR A 11 -17.905 -11.236 1.708 1.00 0.00 C ATOM 184 C TYR A 11 -18.426 -11.858 0.371 1.00 0.00 C ATOM 185 O TYR A 11 -19.476 -11.435 -0.118 1.00 0.00 O ATOM 186 CB TYR A 11 -16.605 -10.376 1.593 1.00 0.00 C ATOM 187 CG TYR A 11 -15.303 -11.046 1.105 1.00 0.00 C ATOM 188 CD1 TYR A 11 -14.539 -11.818 1.981 1.00 0.00 C ATOM 189 CD2 TYR A 11 -14.865 -10.884 -0.215 1.00 0.00 C ATOM 190 CE1 TYR A 11 -13.365 -12.431 1.554 1.00 0.00 C ATOM 191 CE2 TYR A 11 -13.692 -11.500 -0.648 1.00 0.00 C ATOM 192 CZ TYR A 11 -12.942 -12.271 0.236 1.00 0.00 C ATOM 193 OH TYR A 11 -11.787 -12.864 -0.194 1.00 0.00 O ATOM 194 H TYR A 11 -17.410 -13.159 2.713 1.00 0.00 H ATOM 195 HA TYR A 11 -18.699 -10.504 1.967 1.00 0.00 H ATOM 196 HB2 TYR A 11 -16.831 -9.508 0.944 1.00 0.00 H ATOM 197 HB3 TYR A 11 -16.414 -9.905 2.577 1.00 0.00 H ATOM 198 HD1 TYR A 11 -14.871 -11.948 2.995 1.00 0.00 H ATOM 199 HD2 TYR A 11 -15.444 -10.295 -0.911 1.00 0.00 H ATOM 200 HE1 TYR A 11 -12.792 -13.029 2.247 1.00 0.00 H ATOM 201 HE2 TYR A 11 -13.364 -11.385 -1.671 1.00 0.00 H ATOM 202 HH TYR A 11 -11.359 -13.294 0.548 1.00 0.00 H ATOM 203 N ILE A 12 -17.726 -12.850 -0.218 1.00 0.00 N ATOM 204 CA ILE A 12 -18.222 -13.600 -1.414 1.00 0.00 C ATOM 205 C ILE A 12 -19.062 -14.842 -0.959 1.00 0.00 C ATOM 206 O ILE A 12 -18.549 -15.740 -0.283 1.00 0.00 O ATOM 207 CB ILE A 12 -17.092 -13.961 -2.448 1.00 0.00 C ATOM 208 CG1 ILE A 12 -15.884 -14.781 -1.897 1.00 0.00 C ATOM 209 CG2 ILE A 12 -16.590 -12.711 -3.215 1.00 0.00 C ATOM 210 CD1 ILE A 12 -15.171 -15.641 -2.957 1.00 0.00 C ATOM 211 H ILE A 12 -16.866 -13.117 0.271 1.00 0.00 H ATOM 212 HA ILE A 12 -18.907 -12.933 -1.978 1.00 0.00 H ATOM 213 HB ILE A 12 -17.590 -14.595 -3.210 1.00 0.00 H ATOM 214 HG12 ILE A 12 -15.156 -14.111 -1.400 1.00 0.00 H ATOM 215 HG13 ILE A 12 -16.222 -15.463 -1.095 1.00 0.00 H ATOM 216 HG21 ILE A 12 -16.071 -12.001 -2.548 1.00 0.00 H ATOM 217 HG22 ILE A 12 -15.880 -12.972 -4.021 1.00 0.00 H ATOM 218 HG23 ILE A 12 -17.418 -12.156 -3.693 1.00 0.00 H ATOM 219 HD11 ILE A 12 -14.738 -15.032 -3.771 1.00 0.00 H ATOM 220 HD12 ILE A 12 -15.863 -16.370 -3.420 1.00 0.00 H ATOM 221 HD13 ILE A 12 -14.343 -16.223 -2.516 1.00 0.00 H ATOM 222 N LEU A 13 -20.355 -14.868 -1.327 1.00 0.00 N ATOM 223 CA LEU A 13 -21.276 -15.994 -1.011 1.00 0.00 C ATOM 224 C LEU A 13 -21.255 -17.078 -2.133 1.00 0.00 C ATOM 225 O LEU A 13 -20.916 -18.247 -1.834 1.00 0.00 O ATOM 226 CB LEU A 13 -22.688 -15.377 -0.777 1.00 0.00 C ATOM 227 CG LEU A 13 -23.764 -16.317 -0.166 1.00 0.00 C ATOM 228 CD1 LEU A 13 -23.553 -16.548 1.343 1.00 0.00 C ATOM 229 CD2 LEU A 13 -25.173 -15.743 -0.393 1.00 0.00 C ATOM 230 OXT LEU A 13 -21.585 -16.772 -3.306 1.00 0.00 O ATOM 231 H LEU A 13 -20.676 -14.075 -1.886 1.00 0.00 H ATOM 232 HA LEU A 13 -20.957 -16.473 -0.064 1.00 0.00 H ATOM 233 HB2 LEU A 13 -22.612 -14.477 -0.135 1.00 0.00 H ATOM 234 HB3 LEU A 13 -23.051 -14.991 -1.750 1.00 0.00 H ATOM 235 HG LEU A 13 -23.712 -17.297 -0.683 1.00 0.00 H ATOM 236 HD11 LEU A 13 -24.310 -17.237 1.761 1.00 0.00 H ATOM 237 HD12 LEU A 13 -22.565 -16.995 1.554 1.00 0.00 H ATOM 238 HD13 LEU A 13 -23.614 -15.605 1.918 1.00 0.00 H ATOM 239 HD21 LEU A 13 -25.387 -15.618 -1.471 1.00 0.00 H ATOM 240 HD22 LEU A 13 -25.301 -14.752 0.083 1.00 0.00 H ATOM 241 HD23 LEU A 13 -25.959 -16.408 0.011 1.00 0.00 H TER 242 LEU A 13 ENDMDL MODEL 2 HETATM 1 N PCA A 1 5.234 -19.775 -1.172 1.00 0.00 N HETATM 2 CA PCA A 1 4.328 -19.723 -2.331 1.00 0.00 C HETATM 3 CB PCA A 1 4.694 -21.036 -3.062 1.00 0.00 C HETATM 4 CG PCA A 1 5.371 -21.927 -2.008 1.00 0.00 C HETATM 5 CD PCA A 1 5.806 -20.934 -0.955 1.00 0.00 C HETATM 6 OE PCA A 1 6.568 -21.164 -0.023 1.00 0.00 O HETATM 7 C PCA A 1 2.822 -19.598 -1.936 1.00 0.00 C HETATM 8 O PCA A 1 2.267 -20.457 -1.244 1.00 0.00 O HETATM 9 H1 PCA A 1 5.403 -19.050 -0.469 1.00 0.00 H HETATM 10 HA PCA A 1 4.625 -18.868 -2.971 1.00 0.00 H HETATM 11 HB2 PCA A 1 5.409 -20.820 -3.880 1.00 0.00 H HETATM 12 HB3 PCA A 1 3.826 -21.533 -3.537 1.00 0.00 H HETATM 13 HG2 PCA A 1 6.230 -22.494 -2.409 1.00 0.00 H HETATM 14 HG3 PCA A 1 4.661 -22.645 -1.558 1.00 0.00 H ATOM 15 N LEU A 2 2.164 -18.520 -2.395 1.00 0.00 N ATOM 16 CA LEU A 2 0.714 -18.274 -2.142 1.00 0.00 C ATOM 17 C LEU A 2 0.051 -17.845 -3.489 1.00 0.00 C ATOM 18 O LEU A 2 0.413 -16.812 -4.063 1.00 0.00 O ATOM 19 CB LEU A 2 0.526 -17.180 -1.047 1.00 0.00 C ATOM 20 CG LEU A 2 0.911 -17.560 0.410 1.00 0.00 C ATOM 21 CD1 LEU A 2 1.063 -16.295 1.273 1.00 0.00 C ATOM 22 CD2 LEU A 2 -0.115 -18.500 1.069 1.00 0.00 C ATOM 23 H LEU A 2 2.709 -17.891 -2.992 1.00 0.00 H ATOM 24 HA LEU A 2 0.218 -19.199 -1.784 1.00 0.00 H ATOM 25 HB2 LEU A 2 1.096 -16.283 -1.360 1.00 0.00 H ATOM 26 HB3 LEU A 2 -0.529 -16.839 -1.047 1.00 0.00 H ATOM 27 HG LEU A 2 1.894 -18.073 0.401 1.00 0.00 H ATOM 28 HD11 LEU A 2 1.831 -15.612 0.863 1.00 0.00 H ATOM 29 HD12 LEU A 2 0.120 -15.721 1.344 1.00 0.00 H ATOM 30 HD13 LEU A 2 1.378 -16.538 2.305 1.00 0.00 H ATOM 31 HD21 LEU A 2 -1.117 -18.037 1.145 1.00 0.00 H ATOM 32 HD22 LEU A 2 -0.230 -19.446 0.510 1.00 0.00 H ATOM 33 HD23 LEU A 2 0.192 -18.779 2.095 1.00 0.00 H ATOM 34 N TYR A 3 -0.907 -18.643 -3.994 1.00 0.00 N ATOM 35 CA TYR A 3 -1.638 -18.339 -5.262 1.00 0.00 C ATOM 36 C TYR A 3 -3.184 -18.254 -5.035 1.00 0.00 C ATOM 37 O TYR A 3 -3.756 -17.182 -5.248 1.00 0.00 O ATOM 38 CB TYR A 3 -1.158 -19.333 -6.362 1.00 0.00 C ATOM 39 CG TYR A 3 -1.661 -19.027 -7.785 1.00 0.00 C ATOM 40 CD1 TYR A 3 -0.950 -18.158 -8.622 1.00 0.00 C ATOM 41 CD2 TYR A 3 -2.845 -19.610 -8.252 1.00 0.00 C ATOM 42 CE1 TYR A 3 -1.420 -17.874 -9.903 1.00 0.00 C ATOM 43 CE2 TYR A 3 -3.315 -19.322 -9.530 1.00 0.00 C ATOM 44 CZ TYR A 3 -2.603 -18.455 -10.355 1.00 0.00 C ATOM 45 OH TYR A 3 -3.075 -18.176 -11.609 1.00 0.00 O ATOM 46 H TYR A 3 -1.135 -19.458 -3.417 1.00 0.00 H ATOM 47 HA TYR A 3 -1.356 -17.327 -5.622 1.00 0.00 H ATOM 48 HB2 TYR A 3 -0.050 -19.346 -6.381 1.00 0.00 H ATOM 49 HB3 TYR A 3 -1.428 -20.369 -6.081 1.00 0.00 H ATOM 50 HD1 TYR A 3 -0.034 -17.697 -8.280 1.00 0.00 H ATOM 51 HD2 TYR A 3 -3.412 -20.278 -7.618 1.00 0.00 H ATOM 52 HE1 TYR A 3 -0.865 -17.201 -10.540 1.00 0.00 H ATOM 53 HE2 TYR A 3 -4.234 -19.766 -9.884 1.00 0.00 H ATOM 54 HH TYR A 3 -2.480 -17.558 -12.036 1.00 0.00 H ATOM 55 N GLU A 4 -3.864 -19.346 -4.622 1.00 0.00 N ATOM 56 CA GLU A 4 -5.332 -19.328 -4.361 1.00 0.00 C ATOM 57 C GLU A 4 -5.718 -18.743 -2.958 1.00 0.00 C ATOM 58 O GLU A 4 -5.123 -19.076 -1.925 1.00 0.00 O ATOM 59 CB GLU A 4 -5.950 -20.728 -4.637 1.00 0.00 C ATOM 60 CG GLU A 4 -5.554 -21.905 -3.704 1.00 0.00 C ATOM 61 CD GLU A 4 -6.269 -23.207 -4.022 1.00 0.00 C ATOM 62 OE1 GLU A 4 -7.358 -23.445 -3.458 1.00 0.00 O ATOM 63 OE2 GLU A 4 -5.733 -24.006 -4.818 1.00 0.00 O ATOM 64 H GLU A 4 -3.304 -20.190 -4.478 1.00 0.00 H ATOM 65 HA GLU A 4 -5.787 -18.676 -5.135 1.00 0.00 H ATOM 66 HB2 GLU A 4 -7.053 -20.624 -4.608 1.00 0.00 H ATOM 67 HB3 GLU A 4 -5.736 -21.015 -5.686 1.00 0.00 H ATOM 68 HG2 GLU A 4 -4.471 -22.104 -3.755 1.00 0.00 H ATOM 69 HG3 GLU A 4 -5.773 -21.662 -2.650 1.00 0.00 H ATOM 70 N ASN A 5 -6.744 -17.875 -2.931 1.00 0.00 N ATOM 71 CA ASN A 5 -7.244 -17.240 -1.679 1.00 0.00 C ATOM 72 C ASN A 5 -8.341 -18.122 -0.996 1.00 0.00 C ATOM 73 O ASN A 5 -9.382 -18.423 -1.590 1.00 0.00 O ATOM 74 CB ASN A 5 -7.801 -15.823 -1.996 1.00 0.00 C ATOM 75 CG ASN A 5 -6.768 -14.768 -2.413 1.00 0.00 C ATOM 76 OD1 ASN A 5 -6.483 -14.570 -3.588 1.00 0.00 O ATOM 77 ND2 ASN A 5 -6.194 -14.041 -1.483 1.00 0.00 N ATOM 78 H ASN A 5 -7.148 -17.663 -3.849 1.00 0.00 H ATOM 79 HA ASN A 5 -6.395 -17.107 -0.975 1.00 0.00 H ATOM 80 HB2 ASN A 5 -8.560 -15.888 -2.799 1.00 0.00 H ATOM 81 HB3 ASN A 5 -8.366 -15.437 -1.126 1.00 0.00 H ATOM 82 HD21 ASN A 5 -6.481 -14.194 -0.514 1.00 0.00 H ATOM 83 HD22 ASN A 5 -5.536 -13.347 -1.850 1.00 0.00 H ATOM 84 N LYS A 6 -8.121 -18.498 0.276 1.00 0.00 N ATOM 85 CA LYS A 6 -9.120 -19.258 1.081 1.00 0.00 C ATOM 86 C LYS A 6 -10.147 -18.283 1.775 1.00 0.00 C ATOM 87 O LYS A 6 -9.689 -17.411 2.526 1.00 0.00 O ATOM 88 CB LYS A 6 -8.372 -20.113 2.146 1.00 0.00 C ATOM 89 CG LYS A 6 -7.557 -21.319 1.612 1.00 0.00 C ATOM 90 CD LYS A 6 -6.826 -22.068 2.752 1.00 0.00 C ATOM 91 CE LYS A 6 -5.972 -23.273 2.305 1.00 0.00 C ATOM 92 NZ LYS A 6 -6.811 -24.470 2.017 1.00 0.00 N1+ ATOM 93 H LYS A 6 -7.245 -18.156 0.682 1.00 0.00 H ATOM 94 HA LYS A 6 -9.657 -19.963 0.418 1.00 0.00 H ATOM 95 HB2 LYS A 6 -7.718 -19.450 2.749 1.00 0.00 H ATOM 96 HB3 LYS A 6 -9.114 -20.498 2.873 1.00 0.00 H ATOM 97 HG2 LYS A 6 -8.230 -22.003 1.059 1.00 0.00 H ATOM 98 HG3 LYS A 6 -6.821 -20.966 0.860 1.00 0.00 H ATOM 99 HD2 LYS A 6 -6.157 -21.345 3.260 1.00 0.00 H ATOM 100 HD3 LYS A 6 -7.545 -22.368 3.542 1.00 0.00 H ATOM 101 HE2 LYS A 6 -5.347 -22.996 1.425 1.00 0.00 H ATOM 102 HE3 LYS A 6 -5.231 -23.508 3.103 1.00 0.00 H ATOM 103 HZ1 LYS A 6 -7.374 -24.763 2.827 1.00 0.00 H ATOM 104 HZ2 LYS A 6 -6.267 -25.296 1.733 1.00 0.00 H ATOM 105 HZ3 LYS A 6 -7.483 -24.303 1.256 1.00 0.00 H ATOM 106 N PRO A 7 -11.504 -18.379 1.612 1.00 0.00 N ATOM 107 CA PRO A 7 -12.456 -17.440 2.274 1.00 0.00 C ATOM 108 C PRO A 7 -12.603 -17.656 3.819 1.00 0.00 C ATOM 109 O PRO A 7 -12.831 -18.774 4.291 1.00 0.00 O ATOM 110 CB PRO A 7 -13.758 -17.686 1.483 1.00 0.00 C ATOM 111 CG PRO A 7 -13.657 -19.123 0.966 1.00 0.00 C ATOM 112 CD PRO A 7 -12.165 -19.331 0.693 1.00 0.00 C ATOM 113 HA PRO A 7 -12.131 -16.399 2.072 1.00 0.00 H ATOM 114 HB2 PRO A 7 -14.675 -17.518 2.081 1.00 0.00 H ATOM 115 HB3 PRO A 7 -13.817 -16.984 0.628 1.00 0.00 H ATOM 116 HG2 PRO A 7 -14.002 -19.828 1.748 1.00 0.00 H ATOM 117 HG3 PRO A 7 -14.285 -19.300 0.073 1.00 0.00 H ATOM 118 HD2 PRO A 7 -11.876 -20.383 0.885 1.00 0.00 H ATOM 119 HD3 PRO A 7 -11.916 -19.094 -0.361 1.00 0.00 H ATOM 120 N ARG A 8 -12.469 -16.565 4.596 1.00 0.00 N ATOM 121 CA ARG A 8 -12.613 -16.597 6.086 1.00 0.00 C ATOM 122 C ARG A 8 -13.584 -15.509 6.654 1.00 0.00 C ATOM 123 O ARG A 8 -14.555 -15.861 7.327 1.00 0.00 O ATOM 124 CB ARG A 8 -11.227 -16.693 6.793 1.00 0.00 C ATOM 125 CG ARG A 8 -10.246 -15.494 6.677 1.00 0.00 C ATOM 126 CD ARG A 8 -8.891 -15.690 7.391 1.00 0.00 C ATOM 127 NE ARG A 8 -8.976 -15.480 8.869 1.00 0.00 N ATOM 128 CZ ARG A 8 -9.060 -16.436 9.797 1.00 0.00 C ATOM 129 NH1 ARG A 8 -9.120 -17.715 9.522 1.00 0.00 N ATOM 130 NH2 ARG A 8 -9.087 -16.079 11.050 1.00 0.00 N ATOM 131 H ARG A 8 -12.292 -15.707 4.066 1.00 0.00 H ATOM 132 HA ARG A 8 -13.124 -17.544 6.360 1.00 0.00 H ATOM 133 HB2 ARG A 8 -11.413 -16.903 7.863 1.00 0.00 H ATOM 134 HB3 ARG A 8 -10.721 -17.603 6.414 1.00 0.00 H ATOM 135 HG2 ARG A 8 -10.051 -15.308 5.602 1.00 0.00 H ATOM 136 HG3 ARG A 8 -10.723 -14.567 7.047 1.00 0.00 H ATOM 137 HD2 ARG A 8 -8.424 -16.656 7.109 1.00 0.00 H ATOM 138 HD3 ARG A 8 -8.179 -14.943 6.986 1.00 0.00 H ATOM 139 HE ARG A 8 -8.937 -14.536 9.265 1.00 0.00 H ATOM 140 HH11 ARG A 8 -9.110 -17.926 8.522 1.00 0.00 H ATOM 141 HH12 ARG A 8 -9.189 -18.381 10.293 1.00 0.00 H ATOM 142 HH21 ARG A 8 -9.034 -15.080 11.254 1.00 0.00 H ATOM 143 HH22 ARG A 8 -9.154 -16.826 11.744 1.00 0.00 H ATOM 144 N ARG A 9 -13.351 -14.204 6.400 1.00 0.00 N ATOM 145 CA ARG A 9 -14.323 -13.126 6.752 1.00 0.00 C ATOM 146 C ARG A 9 -15.536 -13.046 5.740 1.00 0.00 C ATOM 147 O ARG A 9 -15.285 -13.229 4.545 1.00 0.00 O ATOM 148 CB ARG A 9 -13.555 -11.782 6.953 1.00 0.00 C ATOM 149 CG ARG A 9 -12.813 -11.153 5.739 1.00 0.00 C ATOM 150 CD ARG A 9 -12.147 -9.786 6.010 1.00 0.00 C ATOM 151 NE ARG A 9 -10.873 -9.924 6.774 1.00 0.00 N ATOM 152 CZ ARG A 9 -10.180 -8.917 7.313 1.00 0.00 C ATOM 153 NH1 ARG A 9 -10.563 -7.664 7.269 1.00 0.00 N ATOM 154 NH2 ARG A 9 -9.060 -9.189 7.919 1.00 0.00 N ATOM 155 H ARG A 9 -12.593 -14.046 5.733 1.00 0.00 H ATOM 156 HA ARG A 9 -14.722 -13.372 7.751 1.00 0.00 H ATOM 157 HB2 ARG A 9 -14.278 -11.039 7.341 1.00 0.00 H ATOM 158 HB3 ARG A 9 -12.834 -11.914 7.783 1.00 0.00 H ATOM 159 HG2 ARG A 9 -12.079 -11.861 5.310 1.00 0.00 H ATOM 160 HG3 ARG A 9 -13.552 -11.007 4.932 1.00 0.00 H ATOM 161 HD2 ARG A 9 -11.936 -9.295 5.036 1.00 0.00 H ATOM 162 HD3 ARG A 9 -12.869 -9.122 6.528 1.00 0.00 H ATOM 163 HE ARG A 9 -10.431 -10.840 6.882 1.00 0.00 H ATOM 164 HH11 ARG A 9 -11.441 -7.506 6.772 1.00 0.00 H ATOM 165 HH12 ARG A 9 -9.973 -6.956 7.712 1.00 0.00 H ATOM 166 HH21 ARG A 9 -8.761 -10.165 7.931 1.00 0.00 H ATOM 167 HH22 ARG A 9 -8.547 -8.402 8.322 1.00 0.00 H ATOM 168 N PRO A 10 -16.832 -12.785 6.109 1.00 0.00 N ATOM 169 CA PRO A 10 -17.960 -12.768 5.126 1.00 0.00 C ATOM 170 C PRO A 10 -17.918 -11.660 4.019 1.00 0.00 C ATOM 171 O PRO A 10 -17.940 -10.461 4.309 1.00 0.00 O ATOM 172 CB PRO A 10 -19.209 -12.652 6.025 1.00 0.00 C ATOM 173 CG PRO A 10 -18.775 -13.229 7.370 1.00 0.00 C ATOM 174 CD PRO A 10 -17.317 -12.789 7.506 1.00 0.00 C ATOM 175 HA PRO A 10 -17.993 -13.769 4.650 1.00 0.00 H ATOM 176 HB2 PRO A 10 -19.517 -11.595 6.159 1.00 0.00 H ATOM 177 HB3 PRO A 10 -20.083 -13.182 5.601 1.00 0.00 H ATOM 178 HG2 PRO A 10 -19.408 -12.883 8.209 1.00 0.00 H ATOM 179 HG3 PRO A 10 -18.841 -14.335 7.351 1.00 0.00 H ATOM 180 HD2 PRO A 10 -17.244 -11.773 7.942 1.00 0.00 H ATOM 181 HD3 PRO A 10 -16.785 -13.490 8.176 1.00 0.00 H ATOM 182 N TYR A 11 -17.868 -12.086 2.746 1.00 0.00 N ATOM 183 CA TYR A 11 -17.919 -11.171 1.561 1.00 0.00 C ATOM 184 C TYR A 11 -18.494 -11.881 0.294 1.00 0.00 C ATOM 185 O TYR A 11 -19.501 -11.420 -0.250 1.00 0.00 O ATOM 186 CB TYR A 11 -16.599 -10.376 1.295 1.00 0.00 C ATOM 187 CG TYR A 11 -15.292 -11.165 1.072 1.00 0.00 C ATOM 188 CD1 TYR A 11 -14.503 -11.494 2.175 1.00 0.00 C ATOM 189 CD2 TYR A 11 -14.883 -11.571 -0.203 1.00 0.00 C ATOM 190 CE1 TYR A 11 -13.347 -12.253 2.017 1.00 0.00 C ATOM 191 CE2 TYR A 11 -13.724 -12.329 -0.364 1.00 0.00 C ATOM 192 CZ TYR A 11 -12.958 -12.673 0.750 1.00 0.00 C ATOM 193 OH TYR A 11 -11.826 -13.428 0.609 1.00 0.00 O ATOM 194 H TYR A 11 -17.845 -13.105 2.648 1.00 0.00 H ATOM 195 HA TYR A 11 -18.679 -10.396 1.790 1.00 0.00 H ATOM 196 HB2 TYR A 11 -16.761 -9.694 0.439 1.00 0.00 H ATOM 197 HB3 TYR A 11 -16.453 -9.677 2.142 1.00 0.00 H ATOM 198 HD1 TYR A 11 -14.820 -11.187 3.159 1.00 0.00 H ATOM 199 HD2 TYR A 11 -15.480 -11.322 -1.070 1.00 0.00 H ATOM 200 HE1 TYR A 11 -12.758 -12.530 2.879 1.00 0.00 H ATOM 201 HE2 TYR A 11 -13.430 -12.655 -1.350 1.00 0.00 H ATOM 202 HH TYR A 11 -11.671 -13.582 -0.325 1.00 0.00 H ATOM 203 N ILE A 12 -17.883 -12.988 -0.177 1.00 0.00 N ATOM 204 CA ILE A 12 -18.396 -13.775 -1.337 1.00 0.00 C ATOM 205 C ILE A 12 -19.389 -14.881 -0.833 1.00 0.00 C ATOM 206 O ILE A 12 -18.989 -15.996 -0.489 1.00 0.00 O ATOM 207 CB ILE A 12 -17.206 -14.219 -2.269 1.00 0.00 C ATOM 208 CG1 ILE A 12 -17.704 -14.706 -3.663 1.00 0.00 C ATOM 209 CG2 ILE A 12 -16.215 -15.246 -1.656 1.00 0.00 C ATOM 210 CD1 ILE A 12 -16.684 -14.550 -4.807 1.00 0.00 C ATOM 211 H ILE A 12 -17.047 -13.268 0.348 1.00 0.00 H ATOM 212 HA ILE A 12 -18.985 -13.086 -1.978 1.00 0.00 H ATOM 213 HB ILE A 12 -16.619 -13.297 -2.457 1.00 0.00 H ATOM 214 HG12 ILE A 12 -18.044 -15.758 -3.600 1.00 0.00 H ATOM 215 HG13 ILE A 12 -18.611 -14.144 -3.962 1.00 0.00 H ATOM 216 HG21 ILE A 12 -16.689 -16.231 -1.489 1.00 0.00 H ATOM 217 HG22 ILE A 12 -15.816 -14.910 -0.681 1.00 0.00 H ATOM 218 HG23 ILE A 12 -15.342 -15.420 -2.310 1.00 0.00 H ATOM 219 HD11 ILE A 12 -15.769 -15.146 -4.640 1.00 0.00 H ATOM 220 HD12 ILE A 12 -17.113 -14.881 -5.772 1.00 0.00 H ATOM 221 HD13 ILE A 12 -16.374 -13.496 -4.940 1.00 0.00 H ATOM 222 N LEU A 13 -20.686 -14.524 -0.760 1.00 0.00 N ATOM 223 CA LEU A 13 -21.776 -15.447 -0.337 1.00 0.00 C ATOM 224 C LEU A 13 -22.414 -16.147 -1.576 1.00 0.00 C ATOM 225 O LEU A 13 -22.400 -17.399 -1.633 1.00 0.00 O ATOM 226 CB LEU A 13 -22.849 -14.659 0.476 1.00 0.00 C ATOM 227 CG LEU A 13 -22.450 -14.120 1.879 1.00 0.00 C ATOM 228 CD1 LEU A 13 -23.465 -13.066 2.359 1.00 0.00 C ATOM 229 CD2 LEU A 13 -22.359 -15.237 2.936 1.00 0.00 C ATOM 230 OXT LEU A 13 -22.938 -15.457 -2.486 1.00 0.00 O ATOM 231 H LEU A 13 -20.895 -13.569 -1.064 1.00 0.00 H ATOM 232 HA LEU A 13 -21.372 -16.241 0.321 1.00 0.00 H ATOM 233 HB2 LEU A 13 -23.204 -13.820 -0.156 1.00 0.00 H ATOM 234 HB3 LEU A 13 -23.747 -15.297 0.595 1.00 0.00 H ATOM 235 HG LEU A 13 -21.461 -13.626 1.802 1.00 0.00 H ATOM 236 HD11 LEU A 13 -23.532 -12.217 1.653 1.00 0.00 H ATOM 237 HD12 LEU A 13 -24.484 -13.486 2.457 1.00 0.00 H ATOM 238 HD13 LEU A 13 -23.188 -12.641 3.341 1.00 0.00 H ATOM 239 HD21 LEU A 13 -23.329 -15.750 3.078 1.00 0.00 H ATOM 240 HD22 LEU A 13 -21.623 -16.011 2.653 1.00 0.00 H ATOM 241 HD23 LEU A 13 -22.050 -14.846 3.923 1.00 0.00 H TER 242 LEU A 13 ENDMDL MODEL 3 HETATM 1 N PCA A 1 -9.517 -28.029 1.124 1.00 0.00 N HETATM 2 CA PCA A 1 -8.408 -27.876 0.170 1.00 0.00 C HETATM 3 CB PCA A 1 -8.929 -28.701 -1.027 1.00 0.00 C HETATM 4 CG PCA A 1 -9.912 -29.708 -0.410 1.00 0.00 C HETATM 5 CD PCA A 1 -10.354 -28.999 0.850 1.00 0.00 C HETATM 6 OE PCA A 1 -11.348 -29.265 1.516 1.00 0.00 O HETATM 7 C PCA A 1 -8.034 -26.400 -0.161 1.00 0.00 C HETATM 8 O PCA A 1 -8.870 -25.613 -0.617 1.00 0.00 O HETATM 9 H1 PCA A 1 -9.776 -27.408 1.895 1.00 0.00 H HETATM 10 HA PCA A 1 -7.531 -28.403 0.598 1.00 0.00 H HETATM 11 HB2 PCA A 1 -8.115 -29.191 -1.593 1.00 0.00 H HETATM 12 HB3 PCA A 1 -9.469 -28.053 -1.748 1.00 0.00 H HETATM 13 HG2 PCA A 1 -9.421 -30.662 -0.142 1.00 0.00 H HETATM 14 HG3 PCA A 1 -10.769 -29.935 -1.070 1.00 0.00 H ATOM 15 N LEU A 2 -6.759 -26.034 0.058 1.00 0.00 N ATOM 16 CA LEU A 2 -6.235 -24.680 -0.275 1.00 0.00 C ATOM 17 C LEU A 2 -5.642 -24.674 -1.722 1.00 0.00 C ATOM 18 O LEU A 2 -4.633 -25.335 -1.990 1.00 0.00 O ATOM 19 CB LEU A 2 -5.192 -24.306 0.818 1.00 0.00 C ATOM 20 CG LEU A 2 -4.674 -22.841 0.814 1.00 0.00 C ATOM 21 CD1 LEU A 2 -5.717 -21.848 1.359 1.00 0.00 C ATOM 22 CD2 LEU A 2 -3.391 -22.728 1.655 1.00 0.00 C ATOM 23 H LEU A 2 -6.133 -26.787 0.357 1.00 0.00 H ATOM 24 HA LEU A 2 -7.058 -23.939 -0.205 1.00 0.00 H ATOM 25 HB2 LEU A 2 -5.601 -24.526 1.824 1.00 0.00 H ATOM 26 HB3 LEU A 2 -4.330 -24.996 0.716 1.00 0.00 H ATOM 27 HG LEU A 2 -4.417 -22.547 -0.224 1.00 0.00 H ATOM 28 HD11 LEU A 2 -5.998 -22.083 2.401 1.00 0.00 H ATOM 29 HD12 LEU A 2 -6.644 -21.847 0.758 1.00 0.00 H ATOM 30 HD13 LEU A 2 -5.336 -20.809 1.349 1.00 0.00 H ATOM 31 HD21 LEU A 2 -2.984 -21.699 1.649 1.00 0.00 H ATOM 32 HD22 LEU A 2 -3.553 -23.013 2.711 1.00 0.00 H ATOM 33 HD23 LEU A 2 -2.590 -23.382 1.261 1.00 0.00 H ATOM 34 N TYR A 3 -6.277 -23.931 -2.645 1.00 0.00 N ATOM 35 CA TYR A 3 -5.807 -23.805 -4.057 1.00 0.00 C ATOM 36 C TYR A 3 -5.478 -22.314 -4.399 1.00 0.00 C ATOM 37 O TYR A 3 -4.299 -21.980 -4.534 1.00 0.00 O ATOM 38 CB TYR A 3 -6.829 -24.544 -4.975 1.00 0.00 C ATOM 39 CG TYR A 3 -6.461 -24.588 -6.469 1.00 0.00 C ATOM 40 CD1 TYR A 3 -5.630 -25.596 -6.973 1.00 0.00 C ATOM 41 CD2 TYR A 3 -6.941 -23.601 -7.337 1.00 0.00 C ATOM 42 CE1 TYR A 3 -5.274 -25.603 -8.321 1.00 0.00 C ATOM 43 CE2 TYR A 3 -6.576 -23.604 -8.680 1.00 0.00 C ATOM 44 CZ TYR A 3 -5.742 -24.606 -9.171 1.00 0.00 C ATOM 45 OH TYR A 3 -5.376 -24.605 -10.490 1.00 0.00 O ATOM 46 H TYR A 3 -7.110 -23.444 -2.301 1.00 0.00 H ATOM 47 HA TYR A 3 -4.843 -24.339 -4.186 1.00 0.00 H ATOM 48 HB2 TYR A 3 -6.949 -25.585 -4.613 1.00 0.00 H ATOM 49 HB3 TYR A 3 -7.839 -24.108 -4.851 1.00 0.00 H ATOM 50 HD1 TYR A 3 -5.251 -26.371 -6.321 1.00 0.00 H ATOM 51 HD2 TYR A 3 -7.584 -22.814 -6.969 1.00 0.00 H ATOM 52 HE1 TYR A 3 -4.628 -26.377 -8.710 1.00 0.00 H ATOM 53 HE2 TYR A 3 -6.938 -22.822 -9.331 1.00 0.00 H ATOM 54 HH TYR A 3 -5.749 -23.828 -10.911 1.00 0.00 H ATOM 55 N GLU A 4 -6.490 -21.432 -4.535 1.00 0.00 N ATOM 56 CA GLU A 4 -6.281 -19.992 -4.864 1.00 0.00 C ATOM 57 C GLU A 4 -6.349 -19.100 -3.576 1.00 0.00 C ATOM 58 O GLU A 4 -5.310 -18.619 -3.116 1.00 0.00 O ATOM 59 CB GLU A 4 -7.258 -19.639 -6.021 1.00 0.00 C ATOM 60 CG GLU A 4 -7.031 -18.257 -6.681 1.00 0.00 C ATOM 61 CD GLU A 4 -7.977 -17.984 -7.841 1.00 0.00 C ATOM 62 OE1 GLU A 4 -7.665 -18.398 -8.977 1.00 0.00 O ATOM 63 OE2 GLU A 4 -9.030 -17.352 -7.620 1.00 0.00 O ATOM 64 H GLU A 4 -7.425 -21.841 -4.459 1.00 0.00 H ATOM 65 HA GLU A 4 -5.262 -19.848 -5.279 1.00 0.00 H ATOM 66 HB2 GLU A 4 -7.166 -20.402 -6.821 1.00 0.00 H ATOM 67 HB3 GLU A 4 -8.309 -19.712 -5.677 1.00 0.00 H ATOM 68 HG2 GLU A 4 -7.153 -17.437 -5.951 1.00 0.00 H ATOM 69 HG3 GLU A 4 -6.003 -18.172 -7.075 1.00 0.00 H ATOM 70 N ASN A 5 -7.538 -18.901 -2.971 1.00 0.00 N ATOM 71 CA ASN A 5 -7.692 -18.160 -1.685 1.00 0.00 C ATOM 72 C ASN A 5 -8.825 -18.781 -0.803 1.00 0.00 C ATOM 73 O ASN A 5 -9.920 -19.074 -1.293 1.00 0.00 O ATOM 74 CB ASN A 5 -7.857 -16.627 -1.920 1.00 0.00 C ATOM 75 CG ASN A 5 -9.058 -16.127 -2.739 1.00 0.00 C ATOM 76 OD1 ASN A 5 -8.973 -15.899 -3.938 1.00 0.00 O ATOM 77 ND2 ASN A 5 -10.200 -15.910 -2.131 1.00 0.00 N ATOM 78 H ASN A 5 -8.343 -19.261 -3.496 1.00 0.00 H ATOM 79 HA ASN A 5 -6.746 -18.276 -1.115 1.00 0.00 H ATOM 80 HB2 ASN A 5 -7.839 -16.098 -0.949 1.00 0.00 H ATOM 81 HB3 ASN A 5 -6.951 -16.259 -2.436 1.00 0.00 H ATOM 82 HD21 ASN A 5 -10.281 -16.265 -1.175 1.00 0.00 H ATOM 83 HD22 ASN A 5 -10.954 -15.679 -2.783 1.00 0.00 H ATOM 84 N LYS A 6 -8.584 -18.940 0.514 1.00 0.00 N ATOM 85 CA LYS A 6 -9.633 -19.400 1.472 1.00 0.00 C ATOM 86 C LYS A 6 -10.579 -18.224 1.930 1.00 0.00 C ATOM 87 O LYS A 6 -10.053 -17.259 2.503 1.00 0.00 O ATOM 88 CB LYS A 6 -8.986 -20.185 2.655 1.00 0.00 C ATOM 89 CG LYS A 6 -8.068 -19.424 3.652 1.00 0.00 C ATOM 90 CD LYS A 6 -7.532 -20.334 4.780 1.00 0.00 C ATOM 91 CE LYS A 6 -6.634 -19.582 5.780 1.00 0.00 C ATOM 92 NZ LYS A 6 -6.147 -20.518 6.833 1.00 0.00 N1+ ATOM 93 H LYS A 6 -7.669 -18.607 0.830 1.00 0.00 H ATOM 94 HA LYS A 6 -10.244 -20.160 0.949 1.00 0.00 H ATOM 95 HB2 LYS A 6 -9.807 -20.660 3.228 1.00 0.00 H ATOM 96 HB3 LYS A 6 -8.428 -21.042 2.233 1.00 0.00 H ATOM 97 HG2 LYS A 6 -7.226 -18.962 3.100 1.00 0.00 H ATOM 98 HG3 LYS A 6 -8.628 -18.577 4.094 1.00 0.00 H ATOM 99 HD2 LYS A 6 -8.391 -20.796 5.309 1.00 0.00 H ATOM 100 HD3 LYS A 6 -6.977 -21.181 4.330 1.00 0.00 H ATOM 101 HE2 LYS A 6 -5.779 -19.110 5.244 1.00 0.00 H ATOM 102 HE3 LYS A 6 -7.197 -18.736 6.232 1.00 0.00 H ATOM 103 HZ1 LYS A 6 -5.599 -21.298 6.444 1.00 0.00 H ATOM 104 HZ2 LYS A 6 -6.913 -20.961 7.356 1.00 0.00 H ATOM 105 HZ3 LYS A 6 -5.541 -20.076 7.538 1.00 0.00 H ATOM 106 N PRO A 7 -11.938 -18.229 1.745 1.00 0.00 N ATOM 107 CA PRO A 7 -12.811 -17.109 2.206 1.00 0.00 C ATOM 108 C PRO A 7 -13.059 -17.095 3.755 1.00 0.00 C ATOM 109 O PRO A 7 -14.067 -17.596 4.261 1.00 0.00 O ATOM 110 CB PRO A 7 -14.065 -17.302 1.326 1.00 0.00 C ATOM 111 CG PRO A 7 -14.125 -18.800 1.020 1.00 0.00 C ATOM 112 CD PRO A 7 -12.660 -19.230 0.928 1.00 0.00 C ATOM 113 HA PRO A 7 -12.365 -16.135 1.921 1.00 0.00 H ATOM 114 HB2 PRO A 7 -14.994 -16.931 1.800 1.00 0.00 H ATOM 115 HB3 PRO A 7 -13.954 -16.735 0.382 1.00 0.00 H ATOM 116 HG2 PRO A 7 -14.631 -19.334 1.848 1.00 0.00 H ATOM 117 HG3 PRO A 7 -14.695 -19.022 0.097 1.00 0.00 H ATOM 118 HD2 PRO A 7 -12.529 -20.264 1.303 1.00 0.00 H ATOM 119 HD3 PRO A 7 -12.310 -19.205 -0.124 1.00 0.00 H ATOM 120 N ARG A 8 -12.107 -16.502 4.499 1.00 0.00 N ATOM 121 CA ARG A 8 -12.171 -16.406 5.991 1.00 0.00 C ATOM 122 C ARG A 8 -13.129 -15.305 6.563 1.00 0.00 C ATOM 123 O ARG A 8 -13.898 -15.573 7.489 1.00 0.00 O ATOM 124 CB ARG A 8 -10.728 -16.367 6.586 1.00 0.00 C ATOM 125 CG ARG A 8 -9.838 -15.122 6.297 1.00 0.00 C ATOM 126 CD ARG A 8 -8.425 -15.162 6.922 1.00 0.00 C ATOM 127 NE ARG A 8 -8.463 -14.884 8.387 1.00 0.00 N ATOM 128 CZ ARG A 8 -7.401 -14.805 9.191 1.00 0.00 C ATOM 129 NH1 ARG A 8 -6.172 -15.034 8.797 1.00 0.00 N ATOM 130 NH2 ARG A 8 -7.592 -14.483 10.439 1.00 0.00 N ATOM 131 H ARG A 8 -11.247 -16.334 3.959 1.00 0.00 H ATOM 132 HA ARG A 8 -12.604 -17.359 6.359 1.00 0.00 H ATOM 133 HB2 ARG A 8 -10.812 -16.499 7.682 1.00 0.00 H ATOM 134 HB3 ARG A 8 -10.192 -17.275 6.246 1.00 0.00 H ATOM 135 HG2 ARG A 8 -9.726 -15.019 5.199 1.00 0.00 H ATOM 136 HG3 ARG A 8 -10.355 -14.192 6.604 1.00 0.00 H ATOM 137 HD2 ARG A 8 -7.948 -16.140 6.710 1.00 0.00 H ATOM 138 HD3 ARG A 8 -7.797 -14.401 6.412 1.00 0.00 H ATOM 139 HE ARG A 8 -9.351 -14.656 8.845 1.00 0.00 H ATOM 140 HH11 ARG A 8 -6.081 -15.245 7.803 1.00 0.00 H ATOM 141 HH12 ARG A 8 -5.417 -14.940 9.480 1.00 0.00 H ATOM 142 HH21 ARG A 8 -8.552 -14.287 10.728 1.00 0.00 H ATOM 143 HH22 ARG A 8 -6.766 -14.421 11.038 1.00 0.00 H ATOM 144 N ARG A 9 -13.082 -14.078 6.018 1.00 0.00 N ATOM 145 CA ARG A 9 -14.065 -13.003 6.322 1.00 0.00 C ATOM 146 C ARG A 9 -15.377 -13.208 5.470 1.00 0.00 C ATOM 147 O ARG A 9 -15.241 -13.327 4.246 1.00 0.00 O ATOM 148 CB ARG A 9 -13.307 -11.676 6.026 1.00 0.00 C ATOM 149 CG ARG A 9 -14.063 -10.357 6.313 1.00 0.00 C ATOM 150 CD ARG A 9 -13.193 -9.117 6.014 1.00 0.00 C ATOM 151 NE ARG A 9 -13.936 -7.866 6.346 1.00 0.00 N ATOM 152 CZ ARG A 9 -14.485 -7.018 5.475 1.00 0.00 C ATOM 153 NH1 ARG A 9 -14.443 -7.173 4.174 1.00 0.00 N ATOM 154 NH2 ARG A 9 -15.100 -5.972 5.947 1.00 0.00 N ATOM 155 H ARG A 9 -12.529 -14.062 5.155 1.00 0.00 H ATOM 156 HA ARG A 9 -14.294 -13.008 7.404 1.00 0.00 H ATOM 157 HB2 ARG A 9 -12.366 -11.667 6.613 1.00 0.00 H ATOM 158 HB3 ARG A 9 -12.974 -11.676 4.971 1.00 0.00 H ATOM 159 HG2 ARG A 9 -14.995 -10.316 5.715 1.00 0.00 H ATOM 160 HG3 ARG A 9 -14.393 -10.343 7.371 1.00 0.00 H ATOM 161 HD2 ARG A 9 -12.272 -9.156 6.632 1.00 0.00 H ATOM 162 HD3 ARG A 9 -12.812 -9.140 4.973 1.00 0.00 H ATOM 163 HE ARG A 9 -14.057 -7.586 7.324 1.00 0.00 H ATOM 164 HH11 ARG A 9 -13.943 -8.007 3.861 1.00 0.00 H ATOM 165 HH12 ARG A 9 -14.883 -6.464 3.586 1.00 0.00 H ATOM 166 HH21 ARG A 9 -15.124 -5.869 6.963 1.00 0.00 H ATOM 167 HH22 ARG A 9 -15.522 -5.333 5.271 1.00 0.00 H ATOM 168 N PRO A 10 -16.638 -13.243 6.006 1.00 0.00 N ATOM 169 CA PRO A 10 -17.861 -13.426 5.166 1.00 0.00 C ATOM 170 C PRO A 10 -18.196 -12.239 4.199 1.00 0.00 C ATOM 171 O PRO A 10 -18.834 -11.252 4.576 1.00 0.00 O ATOM 172 CB PRO A 10 -18.962 -13.725 6.209 1.00 0.00 C ATOM 173 CG PRO A 10 -18.214 -14.237 7.439 1.00 0.00 C ATOM 174 CD PRO A 10 -16.918 -13.426 7.446 1.00 0.00 C ATOM 175 HA PRO A 10 -17.731 -14.353 4.569 1.00 0.00 H ATOM 176 HB2 PRO A 10 -19.532 -12.813 6.476 1.00 0.00 H ATOM 177 HB3 PRO A 10 -19.703 -14.458 5.838 1.00 0.00 H ATOM 178 HG2 PRO A 10 -18.796 -14.124 8.373 1.00 0.00 H ATOM 179 HG3 PRO A 10 -17.986 -15.316 7.329 1.00 0.00 H ATOM 180 HD2 PRO A 10 -17.063 -12.444 7.938 1.00 0.00 H ATOM 181 HD3 PRO A 10 -16.134 -13.978 7.999 1.00 0.00 H ATOM 182 N TYR A 11 -17.726 -12.352 2.946 1.00 0.00 N ATOM 183 CA TYR A 11 -17.934 -11.319 1.885 1.00 0.00 C ATOM 184 C TYR A 11 -18.326 -11.922 0.495 1.00 0.00 C ATOM 185 O TYR A 11 -19.317 -11.481 -0.091 1.00 0.00 O ATOM 186 CB TYR A 11 -16.771 -10.276 1.844 1.00 0.00 C ATOM 187 CG TYR A 11 -15.357 -10.733 1.421 1.00 0.00 C ATOM 188 CD1 TYR A 11 -15.007 -10.832 0.070 1.00 0.00 C ATOM 189 CD2 TYR A 11 -14.399 -11.036 2.393 1.00 0.00 C ATOM 190 CE1 TYR A 11 -13.738 -11.274 -0.303 1.00 0.00 C ATOM 191 CE2 TYR A 11 -13.129 -11.473 2.021 1.00 0.00 C ATOM 192 CZ TYR A 11 -12.800 -11.594 0.677 1.00 0.00 C ATOM 193 OH TYR A 11 -11.552 -12.032 0.326 1.00 0.00 O ATOM 194 H TYR A 11 -17.048 -13.117 2.851 1.00 0.00 H ATOM 195 HA TYR A 11 -18.833 -10.730 2.161 1.00 0.00 H ATOM 196 HB2 TYR A 11 -17.080 -9.443 1.184 1.00 0.00 H ATOM 197 HB3 TYR A 11 -16.718 -9.796 2.841 1.00 0.00 H ATOM 198 HD1 TYR A 11 -15.731 -10.596 -0.698 1.00 0.00 H ATOM 199 HD2 TYR A 11 -14.653 -10.961 3.437 1.00 0.00 H ATOM 200 HE1 TYR A 11 -13.490 -11.371 -1.349 1.00 0.00 H ATOM 201 HE2 TYR A 11 -12.392 -11.728 2.769 1.00 0.00 H ATOM 202 HH TYR A 11 -11.471 -12.020 -0.629 1.00 0.00 H ATOM 203 N ILE A 12 -17.570 -12.902 -0.042 1.00 0.00 N ATOM 204 CA ILE A 12 -17.893 -13.572 -1.339 1.00 0.00 C ATOM 205 C ILE A 12 -18.826 -14.810 -1.086 1.00 0.00 C ATOM 206 O ILE A 12 -18.364 -15.934 -0.870 1.00 0.00 O ATOM 207 CB ILE A 12 -16.573 -13.811 -2.167 1.00 0.00 C ATOM 208 CG1 ILE A 12 -16.827 -14.191 -3.655 1.00 0.00 C ATOM 209 CG2 ILE A 12 -15.573 -14.826 -1.554 1.00 0.00 C ATOM 210 CD1 ILE A 12 -17.294 -13.029 -4.552 1.00 0.00 C ATOM 211 H ILE A 12 -16.765 -13.178 0.527 1.00 0.00 H ATOM 212 HA ILE A 12 -18.474 -12.858 -1.956 1.00 0.00 H ATOM 213 HB ILE A 12 -16.031 -12.844 -2.185 1.00 0.00 H ATOM 214 HG12 ILE A 12 -15.902 -14.595 -4.111 1.00 0.00 H ATOM 215 HG13 ILE A 12 -17.553 -15.026 -3.716 1.00 0.00 H ATOM 216 HG21 ILE A 12 -15.963 -15.861 -1.576 1.00 0.00 H ATOM 217 HG22 ILE A 12 -15.334 -14.592 -0.500 1.00 0.00 H ATOM 218 HG23 ILE A 12 -14.611 -14.836 -2.100 1.00 0.00 H ATOM 219 HD11 ILE A 12 -18.259 -12.600 -4.226 1.00 0.00 H ATOM 220 HD12 ILE A 12 -17.432 -13.364 -5.597 1.00 0.00 H ATOM 221 HD13 ILE A 12 -16.554 -12.206 -4.575 1.00 0.00 H ATOM 222 N LEU A 13 -20.147 -14.562 -1.076 1.00 0.00 N ATOM 223 CA LEU A 13 -21.190 -15.601 -0.846 1.00 0.00 C ATOM 224 C LEU A 13 -22.297 -15.442 -1.929 1.00 0.00 C ATOM 225 O LEU A 13 -22.941 -14.366 -2.015 1.00 0.00 O ATOM 226 CB LEU A 13 -21.785 -15.485 0.592 1.00 0.00 C ATOM 227 CG LEU A 13 -20.865 -15.861 1.787 1.00 0.00 C ATOM 228 CD1 LEU A 13 -21.452 -15.332 3.108 1.00 0.00 C ATOM 229 CD2 LEU A 13 -20.648 -17.381 1.908 1.00 0.00 C ATOM 230 OXT LEU A 13 -22.526 -16.402 -2.702 1.00 0.00 O ATOM 231 H LEU A 13 -20.417 -13.582 -1.210 1.00 0.00 H ATOM 232 HA LEU A 13 -20.765 -16.616 -0.970 1.00 0.00 H ATOM 233 HB2 LEU A 13 -22.155 -14.449 0.721 1.00 0.00 H ATOM 234 HB3 LEU A 13 -22.701 -16.104 0.651 1.00 0.00 H ATOM 235 HG LEU A 13 -19.879 -15.377 1.640 1.00 0.00 H ATOM 236 HD11 LEU A 13 -20.801 -15.566 3.969 1.00 0.00 H ATOM 237 HD12 LEU A 13 -22.448 -15.762 3.321 1.00 0.00 H ATOM 238 HD13 LEU A 13 -21.569 -14.232 3.086 1.00 0.00 H ATOM 239 HD21 LEU A 13 -20.198 -17.802 0.990 1.00 0.00 H ATOM 240 HD22 LEU A 13 -19.967 -17.634 2.741 1.00 0.00 H ATOM 241 HD23 LEU A 13 -21.597 -17.922 2.083 1.00 0.00 H TER 242 LEU A 13 ENDMDL MODEL 4 HETATM 1 N PCA A 1 -5.435 -11.347 -0.426 1.00 0.00 N HETATM 2 CA PCA A 1 -4.703 -12.623 -0.376 1.00 0.00 C HETATM 3 CB PCA A 1 -5.660 -13.553 -1.157 1.00 0.00 C HETATM 4 CG PCA A 1 -6.552 -12.623 -1.996 1.00 0.00 C HETATM 5 CD PCA A 1 -6.420 -11.296 -1.289 1.00 0.00 C HETATM 6 OE PCA A 1 -7.111 -10.303 -1.490 1.00 0.00 O HETATM 7 C PCA A 1 -3.259 -12.537 -0.968 1.00 0.00 C HETATM 8 O PCA A 1 -3.070 -12.184 -2.136 1.00 0.00 O HETATM 9 H1 PCA A 1 -5.173 -10.453 -0.001 1.00 0.00 H HETATM 10 HA PCA A 1 -4.660 -12.965 0.677 1.00 0.00 H HETATM 11 HB2 PCA A 1 -5.131 -14.305 -1.775 1.00 0.00 H HETATM 12 HB3 PCA A 1 -6.286 -14.125 -0.444 1.00 0.00 H HETATM 13 HG2 PCA A 1 -6.183 -12.520 -3.034 1.00 0.00 H HETATM 14 HG3 PCA A 1 -7.607 -12.947 -2.033 1.00 0.00 H ATOM 15 N LEU A 2 -2.243 -12.881 -0.157 1.00 0.00 N ATOM 16 CA LEU A 2 -0.813 -12.841 -0.588 1.00 0.00 C ATOM 17 C LEU A 2 -0.354 -14.117 -1.380 1.00 0.00 C ATOM 18 O LEU A 2 0.129 -13.983 -2.506 1.00 0.00 O ATOM 19 CB LEU A 2 0.043 -12.514 0.673 1.00 0.00 C ATOM 20 CG LEU A 2 1.534 -12.148 0.430 1.00 0.00 C ATOM 21 CD1 LEU A 2 1.707 -10.733 -0.155 1.00 0.00 C ATOM 22 CD2 LEU A 2 2.328 -12.240 1.745 1.00 0.00 C ATOM 23 H LEU A 2 -2.517 -13.140 0.796 1.00 0.00 H ATOM 24 HA LEU A 2 -0.686 -11.991 -1.288 1.00 0.00 H ATOM 25 HB2 LEU A 2 -0.421 -11.682 1.239 1.00 0.00 H ATOM 26 HB3 LEU A 2 -0.013 -13.378 1.363 1.00 0.00 H ATOM 27 HG LEU A 2 1.977 -12.877 -0.279 1.00 0.00 H ATOM 28 HD11 LEU A 2 1.185 -10.612 -1.122 1.00 0.00 H ATOM 29 HD12 LEU A 2 2.771 -10.498 -0.345 1.00 0.00 H ATOM 30 HD13 LEU A 2 1.320 -9.950 0.524 1.00 0.00 H ATOM 31 HD21 LEU A 2 2.276 -13.253 2.187 1.00 0.00 H ATOM 32 HD22 LEU A 2 3.401 -12.019 1.592 1.00 0.00 H ATOM 33 HD23 LEU A 2 1.955 -11.532 2.509 1.00 0.00 H ATOM 34 N TYR A 3 -0.485 -15.330 -0.804 1.00 0.00 N ATOM 35 CA TYR A 3 -0.124 -16.613 -1.486 1.00 0.00 C ATOM 36 C TYR A 3 -1.255 -17.697 -1.401 1.00 0.00 C ATOM 37 O TYR A 3 -1.717 -18.171 -2.442 1.00 0.00 O ATOM 38 CB TYR A 3 1.304 -17.090 -1.068 1.00 0.00 C ATOM 39 CG TYR A 3 1.519 -17.574 0.382 1.00 0.00 C ATOM 40 CD1 TYR A 3 1.794 -16.658 1.404 1.00 0.00 C ATOM 41 CD2 TYR A 3 1.400 -18.933 0.694 1.00 0.00 C ATOM 42 CE1 TYR A 3 1.922 -17.095 2.721 1.00 0.00 C ATOM 43 CE2 TYR A 3 1.517 -19.366 2.012 1.00 0.00 C ATOM 44 CZ TYR A 3 1.779 -18.446 3.024 1.00 0.00 C ATOM 45 OH TYR A 3 1.883 -18.869 4.322 1.00 0.00 O ATOM 46 H TYR A 3 -0.909 -15.305 0.127 1.00 0.00 H ATOM 47 HA TYR A 3 -0.045 -16.417 -2.575 1.00 0.00 H ATOM 48 HB2 TYR A 3 1.617 -17.891 -1.765 1.00 0.00 H ATOM 49 HB3 TYR A 3 2.024 -16.277 -1.286 1.00 0.00 H ATOM 50 HD1 TYR A 3 1.891 -15.606 1.181 1.00 0.00 H ATOM 51 HD2 TYR A 3 1.171 -19.654 -0.079 1.00 0.00 H ATOM 52 HE1 TYR A 3 2.122 -16.388 3.513 1.00 0.00 H ATOM 53 HE2 TYR A 3 1.387 -20.414 2.243 1.00 0.00 H ATOM 54 HH TYR A 3 1.679 -19.806 4.357 1.00 0.00 H ATOM 55 N GLU A 4 -1.702 -18.088 -0.190 1.00 0.00 N ATOM 56 CA GLU A 4 -2.758 -19.117 0.005 1.00 0.00 C ATOM 57 C GLU A 4 -4.165 -18.437 0.084 1.00 0.00 C ATOM 58 O GLU A 4 -4.453 -17.659 1.001 1.00 0.00 O ATOM 59 CB GLU A 4 -2.390 -19.928 1.279 1.00 0.00 C ATOM 60 CG GLU A 4 -3.198 -21.234 1.488 1.00 0.00 C ATOM 61 CD GLU A 4 -2.846 -21.979 2.768 1.00 0.00 C ATOM 62 OE1 GLU A 4 -1.867 -22.754 2.759 1.00 0.00 O ATOM 63 OE2 GLU A 4 -3.560 -21.813 3.781 1.00 0.00 O ATOM 64 H GLU A 4 -1.190 -17.689 0.603 1.00 0.00 H ATOM 65 HA GLU A 4 -2.731 -19.833 -0.842 1.00 0.00 H ATOM 66 HB2 GLU A 4 -1.318 -20.207 1.249 1.00 0.00 H ATOM 67 HB3 GLU A 4 -2.491 -19.283 2.175 1.00 0.00 H ATOM 68 HG2 GLU A 4 -4.282 -21.032 1.508 1.00 0.00 H ATOM 69 HG3 GLU A 4 -3.031 -21.933 0.650 1.00 0.00 H ATOM 70 N ASN A 5 -5.040 -18.727 -0.894 1.00 0.00 N ATOM 71 CA ASN A 5 -6.409 -18.147 -0.949 1.00 0.00 C ATOM 72 C ASN A 5 -7.434 -19.070 -0.206 1.00 0.00 C ATOM 73 O ASN A 5 -7.694 -20.203 -0.622 1.00 0.00 O ATOM 74 CB ASN A 5 -6.754 -17.896 -2.442 1.00 0.00 C ATOM 75 CG ASN A 5 -8.013 -17.052 -2.669 1.00 0.00 C ATOM 76 OD1 ASN A 5 -9.134 -17.545 -2.687 1.00 0.00 O ATOM 77 ND2 ASN A 5 -7.884 -15.759 -2.840 1.00 0.00 N ATOM 78 H ASN A 5 -4.694 -19.391 -1.595 1.00 0.00 H ATOM 79 HA ASN A 5 -6.393 -17.149 -0.460 1.00 0.00 H ATOM 80 HB2 ASN A 5 -5.900 -17.420 -2.964 1.00 0.00 H ATOM 81 HB3 ASN A 5 -6.896 -18.861 -2.964 1.00 0.00 H ATOM 82 HD21 ASN A 5 -6.937 -15.371 -2.826 1.00 0.00 H ATOM 83 HD22 ASN A 5 -8.770 -15.270 -2.995 1.00 0.00 H ATOM 84 N LYS A 6 -8.005 -18.567 0.900 1.00 0.00 N ATOM 85 CA LYS A 6 -9.040 -19.287 1.698 1.00 0.00 C ATOM 86 C LYS A 6 -10.147 -18.248 2.106 1.00 0.00 C ATOM 87 O LYS A 6 -9.787 -17.265 2.772 1.00 0.00 O ATOM 88 CB LYS A 6 -8.405 -19.946 2.963 1.00 0.00 C ATOM 89 CG LYS A 6 -7.488 -21.167 2.694 1.00 0.00 C ATOM 90 CD LYS A 6 -6.806 -21.769 3.943 1.00 0.00 C ATOM 91 CE LYS A 6 -7.673 -22.731 4.778 1.00 0.00 C ATOM 92 NZ LYS A 6 -6.859 -23.236 5.919 1.00 0.00 N1+ ATOM 93 H LYS A 6 -7.707 -17.618 1.147 1.00 0.00 H ATOM 94 HA LYS A 6 -9.496 -20.092 1.090 1.00 0.00 H ATOM 95 HB2 LYS A 6 -7.838 -19.176 3.524 1.00 0.00 H ATOM 96 HB3 LYS A 6 -9.214 -20.258 3.651 1.00 0.00 H ATOM 97 HG2 LYS A 6 -8.031 -21.950 2.129 1.00 0.00 H ATOM 98 HG3 LYS A 6 -6.683 -20.844 2.004 1.00 0.00 H ATOM 99 HD2 LYS A 6 -5.912 -22.320 3.589 1.00 0.00 H ATOM 100 HD3 LYS A 6 -6.387 -20.950 4.565 1.00 0.00 H ATOM 101 HE2 LYS A 6 -8.590 -22.213 5.136 1.00 0.00 H ATOM 102 HE3 LYS A 6 -8.035 -23.569 4.141 1.00 0.00 H ATOM 103 HZ1 LYS A 6 -7.348 -23.913 6.521 1.00 0.00 H ATOM 104 HZ2 LYS A 6 -6.534 -22.479 6.535 1.00 0.00 H ATOM 105 HZ3 LYS A 6 -5.994 -23.696 5.601 1.00 0.00 H ATOM 106 N PRO A 7 -11.474 -18.388 1.792 1.00 0.00 N ATOM 107 CA PRO A 7 -12.500 -17.378 2.187 1.00 0.00 C ATOM 108 C PRO A 7 -12.865 -17.401 3.713 1.00 0.00 C ATOM 109 O PRO A 7 -13.834 -18.031 4.143 1.00 0.00 O ATOM 110 CB PRO A 7 -13.656 -17.702 1.217 1.00 0.00 C ATOM 111 CG PRO A 7 -13.519 -19.193 0.899 1.00 0.00 C ATOM 112 CD PRO A 7 -12.010 -19.450 0.911 1.00 0.00 C ATOM 113 HA PRO A 7 -12.145 -16.359 1.935 1.00 0.00 H ATOM 114 HB2 PRO A 7 -14.654 -17.448 1.625 1.00 0.00 H ATOM 115 HB3 PRO A 7 -13.545 -17.110 0.287 1.00 0.00 H ATOM 116 HG2 PRO A 7 -14.017 -19.792 1.687 1.00 0.00 H ATOM 117 HG3 PRO A 7 -13.993 -19.468 -0.062 1.00 0.00 H ATOM 118 HD2 PRO A 7 -11.788 -20.469 1.284 1.00 0.00 H ATOM 119 HD3 PRO A 7 -11.589 -19.363 -0.111 1.00 0.00 H ATOM 120 N ARG A 8 -12.052 -16.696 4.523 1.00 0.00 N ATOM 121 CA ARG A 8 -12.220 -16.642 6.007 1.00 0.00 C ATOM 122 C ARG A 8 -13.238 -15.566 6.519 1.00 0.00 C ATOM 123 O ARG A 8 -14.143 -15.903 7.286 1.00 0.00 O ATOM 124 CB ARG A 8 -10.824 -16.618 6.708 1.00 0.00 C ATOM 125 CG ARG A 8 -9.930 -15.357 6.543 1.00 0.00 C ATOM 126 CD ARG A 8 -8.588 -15.457 7.295 1.00 0.00 C ATOM 127 NE ARG A 8 -7.813 -14.194 7.116 1.00 0.00 N ATOM 128 CZ ARG A 8 -6.526 -14.024 7.431 1.00 0.00 C ATOM 129 NH1 ARG A 8 -5.781 -14.949 7.982 1.00 0.00 N ATOM 130 NH2 ARG A 8 -5.974 -12.873 7.174 1.00 0.00 N ATOM 131 H ARG A 8 -11.167 -16.464 4.052 1.00 0.00 H ATOM 132 HA ARG A 8 -12.667 -17.607 6.325 1.00 0.00 H ATOM 133 HB2 ARG A 8 -10.991 -16.796 7.788 1.00 0.00 H ATOM 134 HB3 ARG A 8 -10.257 -17.509 6.374 1.00 0.00 H ATOM 135 HG2 ARG A 8 -9.741 -15.182 5.465 1.00 0.00 H ATOM 136 HG3 ARG A 8 -10.485 -14.470 6.904 1.00 0.00 H ATOM 137 HD2 ARG A 8 -8.772 -15.645 8.374 1.00 0.00 H ATOM 138 HD3 ARG A 8 -8.023 -16.335 6.917 1.00 0.00 H ATOM 139 HE ARG A 8 -8.249 -13.381 6.679 1.00 0.00 H ATOM 140 HH11 ARG A 8 -6.264 -15.831 8.161 1.00 0.00 H ATOM 141 HH12 ARG A 8 -4.802 -14.734 8.179 1.00 0.00 H ATOM 142 HH21 ARG A 8 -6.556 -12.170 6.720 1.00 0.00 H ATOM 143 HH22 ARG A 8 -4.988 -12.765 7.422 1.00 0.00 H ATOM 144 N ARG A 9 -13.103 -14.287 6.112 1.00 0.00 N ATOM 145 CA ARG A 9 -14.115 -13.231 6.409 1.00 0.00 C ATOM 146 C ARG A 9 -15.394 -13.323 5.486 1.00 0.00 C ATOM 147 O ARG A 9 -15.241 -13.706 4.320 1.00 0.00 O ATOM 148 CB ARG A 9 -13.407 -11.838 6.395 1.00 0.00 C ATOM 149 CG ARG A 9 -12.858 -11.306 5.040 1.00 0.00 C ATOM 150 CD ARG A 9 -12.195 -9.912 5.074 1.00 0.00 C ATOM 151 NE ARG A 9 -10.830 -9.952 5.673 1.00 0.00 N ATOM 152 CZ ARG A 9 -9.937 -8.957 5.628 1.00 0.00 C ATOM 153 NH1 ARG A 9 -10.151 -7.809 5.032 1.00 0.00 N ATOM 154 NH2 ARG A 9 -8.786 -9.129 6.211 1.00 0.00 N ATOM 155 H ARG A 9 -12.432 -14.192 5.345 1.00 0.00 H ATOM 156 HA ARG A 9 -14.448 -13.387 7.453 1.00 0.00 H ATOM 157 HB2 ARG A 9 -14.119 -11.092 6.795 1.00 0.00 H ATOM 158 HB3 ARG A 9 -12.589 -11.854 7.141 1.00 0.00 H ATOM 159 HG2 ARG A 9 -12.177 -12.041 4.569 1.00 0.00 H ATOM 160 HG3 ARG A 9 -13.711 -11.241 4.340 1.00 0.00 H ATOM 161 HD2 ARG A 9 -12.145 -9.535 4.031 1.00 0.00 H ATOM 162 HD3 ARG A 9 -12.843 -9.195 5.621 1.00 0.00 H ATOM 163 HE ARG A 9 -10.520 -10.781 6.184 1.00 0.00 H ATOM 164 HH11 ARG A 9 -11.076 -7.718 4.607 1.00 0.00 H ATOM 165 HH12 ARG A 9 -9.413 -7.102 5.050 1.00 0.00 H ATOM 166 HH21 ARG A 9 -8.655 -10.004 6.716 1.00 0.00 H ATOM 167 HH22 ARG A 9 -8.123 -8.352 6.165 1.00 0.00 H ATOM 168 N PRO A 10 -16.652 -12.989 5.910 1.00 0.00 N ATOM 169 CA PRO A 10 -17.848 -13.097 5.024 1.00 0.00 C ATOM 170 C PRO A 10 -17.981 -11.917 4.001 1.00 0.00 C ATOM 171 O PRO A 10 -18.251 -10.772 4.376 1.00 0.00 O ATOM 172 CB PRO A 10 -18.998 -13.190 6.048 1.00 0.00 C ATOM 173 CG PRO A 10 -18.507 -12.431 7.283 1.00 0.00 C ATOM 174 CD PRO A 10 -16.997 -12.681 7.315 1.00 0.00 C ATOM 175 HA PRO A 10 -17.823 -14.060 4.475 1.00 0.00 H ATOM 176 HB2 PRO A 10 -19.960 -12.797 5.665 1.00 0.00 H ATOM 177 HB3 PRO A 10 -19.182 -14.251 6.311 1.00 0.00 H ATOM 178 HG2 PRO A 10 -18.714 -11.349 7.166 1.00 0.00 H ATOM 179 HG3 PRO A 10 -19.013 -12.758 8.211 1.00 0.00 H ATOM 180 HD2 PRO A 10 -16.454 -11.797 7.700 1.00 0.00 H ATOM 181 HD3 PRO A 10 -16.762 -13.541 7.973 1.00 0.00 H ATOM 182 N TYR A 11 -17.776 -12.213 2.705 1.00 0.00 N ATOM 183 CA TYR A 11 -17.880 -11.204 1.604 1.00 0.00 C ATOM 184 C TYR A 11 -18.577 -11.768 0.322 1.00 0.00 C ATOM 185 O TYR A 11 -19.626 -11.249 -0.067 1.00 0.00 O ATOM 186 CB TYR A 11 -16.534 -10.449 1.359 1.00 0.00 C ATOM 187 CG TYR A 11 -15.335 -11.225 0.772 1.00 0.00 C ATOM 188 CD1 TYR A 11 -14.550 -12.028 1.600 1.00 0.00 C ATOM 189 CD2 TYR A 11 -15.014 -11.132 -0.587 1.00 0.00 C ATOM 190 CE1 TYR A 11 -13.471 -12.741 1.086 1.00 0.00 C ATOM 191 CE2 TYR A 11 -13.936 -11.848 -1.106 1.00 0.00 C ATOM 192 CZ TYR A 11 -13.165 -12.650 -0.269 1.00 0.00 C ATOM 193 OH TYR A 11 -12.101 -13.351 -0.768 1.00 0.00 O ATOM 194 H TYR A 11 -17.511 -13.189 2.537 1.00 0.00 H ATOM 195 HA TYR A 11 -18.583 -10.416 1.943 1.00 0.00 H ATOM 196 HB2 TYR A 11 -16.747 -9.572 0.718 1.00 0.00 H ATOM 197 HB3 TYR A 11 -16.221 -9.986 2.315 1.00 0.00 H ATOM 198 HD1 TYR A 11 -14.793 -12.102 2.645 1.00 0.00 H ATOM 199 HD2 TYR A 11 -15.613 -10.518 -1.244 1.00 0.00 H ATOM 200 HE1 TYR A 11 -12.874 -13.366 1.734 1.00 0.00 H ATOM 201 HE2 TYR A 11 -13.709 -11.780 -2.161 1.00 0.00 H ATOM 202 HH TYR A 11 -12.021 -13.164 -1.705 1.00 0.00 H ATOM 203 N ILE A 12 -18.028 -12.815 -0.328 1.00 0.00 N ATOM 204 CA ILE A 12 -18.701 -13.511 -1.468 1.00 0.00 C ATOM 205 C ILE A 12 -19.634 -14.649 -0.927 1.00 0.00 C ATOM 206 O ILE A 12 -19.166 -15.601 -0.293 1.00 0.00 O ATOM 207 CB ILE A 12 -17.701 -14.002 -2.582 1.00 0.00 C ATOM 208 CG1 ILE A 12 -16.548 -14.942 -2.110 1.00 0.00 C ATOM 209 CG2 ILE A 12 -17.127 -12.821 -3.407 1.00 0.00 C ATOM 210 CD1 ILE A 12 -16.009 -15.888 -3.200 1.00 0.00 C ATOM 211 H ILE A 12 -17.154 -13.162 0.080 1.00 0.00 H ATOM 212 HA ILE A 12 -19.351 -12.775 -1.985 1.00 0.00 H ATOM 213 HB ILE A 12 -18.322 -14.585 -3.293 1.00 0.00 H ATOM 214 HG12 ILE A 12 -15.718 -14.351 -1.678 1.00 0.00 H ATOM 215 HG13 ILE A 12 -16.896 -15.577 -1.274 1.00 0.00 H ATOM 216 HG21 ILE A 12 -16.517 -13.166 -4.262 1.00 0.00 H ATOM 217 HG22 ILE A 12 -17.924 -12.181 -3.828 1.00 0.00 H ATOM 218 HG23 ILE A 12 -16.481 -12.168 -2.796 1.00 0.00 H ATOM 219 HD11 ILE A 12 -15.564 -15.341 -4.051 1.00 0.00 H ATOM 220 HD12 ILE A 12 -16.809 -16.536 -3.606 1.00 0.00 H ATOM 221 HD13 ILE A 12 -15.227 -16.559 -2.799 1.00 0.00 H ATOM 222 N LEU A 13 -20.951 -14.531 -1.174 1.00 0.00 N ATOM 223 CA LEU A 13 -21.952 -15.574 -0.809 1.00 0.00 C ATOM 224 C LEU A 13 -22.192 -16.548 -2.001 1.00 0.00 C ATOM 225 O LEU A 13 -22.607 -16.103 -3.100 1.00 0.00 O ATOM 226 CB LEU A 13 -23.281 -14.897 -0.356 1.00 0.00 C ATOM 227 CG LEU A 13 -23.266 -14.097 0.978 1.00 0.00 C ATOM 228 CD1 LEU A 13 -24.508 -13.193 1.075 1.00 0.00 C ATOM 229 CD2 LEU A 13 -23.218 -15.013 2.216 1.00 0.00 C ATOM 230 OXT LEU A 13 -21.970 -17.771 -1.834 1.00 0.00 O ATOM 231 H LEU A 13 -21.227 -13.728 -1.745 1.00 0.00 H ATOM 232 HA LEU A 13 -21.581 -16.179 0.041 1.00 0.00 H ATOM 233 HB2 LEU A 13 -23.626 -14.242 -1.180 1.00 0.00 H ATOM 234 HB3 LEU A 13 -24.070 -15.671 -0.286 1.00 0.00 H ATOM 235 HG LEU A 13 -22.371 -13.444 0.991 1.00 0.00 H ATOM 236 HD11 LEU A 13 -25.448 -13.776 1.066 1.00 0.00 H ATOM 237 HD12 LEU A 13 -24.559 -12.483 0.228 1.00 0.00 H ATOM 238 HD13 LEU A 13 -24.506 -12.585 1.998 1.00 0.00 H ATOM 239 HD21 LEU A 13 -24.104 -15.674 2.276 1.00 0.00 H ATOM 240 HD22 LEU A 13 -22.326 -15.665 2.209 1.00 0.00 H ATOM 241 HD23 LEU A 13 -23.180 -14.431 3.155 1.00 0.00 H TER 242 LEU A 13 ENDMDL MODEL 5 HETATM 1 N PCA A 1 2.039 -27.251 -8.178 1.00 0.00 N HETATM 2 CA PCA A 1 1.289 -26.624 -7.079 1.00 0.00 C HETATM 3 CB PCA A 1 2.381 -25.734 -6.444 1.00 0.00 C HETATM 4 CG PCA A 1 3.707 -26.414 -6.820 1.00 0.00 C HETATM 5 CD PCA A 1 3.342 -27.158 -8.085 1.00 0.00 C HETATM 6 OE PCA A 1 4.130 -27.596 -8.915 1.00 0.00 O HETATM 7 C PCA A 1 0.002 -25.866 -7.519 1.00 0.00 C HETATM 8 O PCA A 1 0.052 -24.953 -8.349 1.00 0.00 O HETATM 9 H1 PCA A 1 1.672 -27.631 -9.056 1.00 0.00 H HETATM 10 HA PCA A 1 1.030 -27.426 -6.357 1.00 0.00 H HETATM 11 HB2 PCA A 1 2.254 -25.620 -5.351 1.00 0.00 H HETATM 12 HB3 PCA A 1 2.356 -24.712 -6.874 1.00 0.00 H HETATM 13 HG2 PCA A 1 4.040 -27.136 -6.051 1.00 0.00 H HETATM 14 HG3 PCA A 1 4.527 -25.694 -6.994 1.00 0.00 H ATOM 15 N LEU A 2 -1.153 -26.235 -6.938 1.00 0.00 N ATOM 16 CA LEU A 2 -2.449 -25.547 -7.204 1.00 0.00 C ATOM 17 C LEU A 2 -2.660 -24.416 -6.148 1.00 0.00 C ATOM 18 O LEU A 2 -2.854 -24.686 -4.958 1.00 0.00 O ATOM 19 CB LEU A 2 -3.567 -26.633 -7.234 1.00 0.00 C ATOM 20 CG LEU A 2 -4.938 -26.222 -7.843 1.00 0.00 C ATOM 21 CD1 LEU A 2 -5.736 -27.469 -8.267 1.00 0.00 C ATOM 22 CD2 LEU A 2 -5.815 -25.400 -6.880 1.00 0.00 C ATOM 23 H LEU A 2 -1.070 -26.949 -6.209 1.00 0.00 H ATOM 24 HA LEU A 2 -2.426 -25.102 -8.221 1.00 0.00 H ATOM 25 HB2 LEU A 2 -3.186 -27.484 -7.833 1.00 0.00 H ATOM 26 HB3 LEU A 2 -3.716 -27.057 -6.221 1.00 0.00 H ATOM 27 HG LEU A 2 -4.762 -25.616 -8.754 1.00 0.00 H ATOM 28 HD11 LEU A 2 -5.965 -28.129 -7.409 1.00 0.00 H ATOM 29 HD12 LEU A 2 -5.186 -28.076 -9.010 1.00 0.00 H ATOM 30 HD13 LEU A 2 -6.701 -27.199 -8.735 1.00 0.00 H ATOM 31 HD21 LEU A 2 -6.036 -25.945 -5.942 1.00 0.00 H ATOM 32 HD22 LEU A 2 -5.343 -24.445 -6.593 1.00 0.00 H ATOM 33 HD23 LEU A 2 -6.790 -25.132 -7.330 1.00 0.00 H ATOM 34 N TYR A 3 -2.618 -23.147 -6.591 1.00 0.00 N ATOM 35 CA TYR A 3 -2.846 -21.973 -5.704 1.00 0.00 C ATOM 36 C TYR A 3 -4.363 -21.592 -5.672 1.00 0.00 C ATOM 37 O TYR A 3 -4.929 -21.169 -6.685 1.00 0.00 O ATOM 38 CB TYR A 3 -1.920 -20.827 -6.205 1.00 0.00 C ATOM 39 CG TYR A 3 -1.876 -19.583 -5.300 1.00 0.00 C ATOM 40 CD1 TYR A 3 -0.979 -19.512 -4.227 1.00 0.00 C ATOM 41 CD2 TYR A 3 -2.741 -18.510 -5.540 1.00 0.00 C ATOM 42 CE1 TYR A 3 -0.958 -18.389 -3.402 1.00 0.00 C ATOM 43 CE2 TYR A 3 -2.713 -17.387 -4.718 1.00 0.00 C ATOM 44 CZ TYR A 3 -1.830 -17.330 -3.644 1.00 0.00 C ATOM 45 OH TYR A 3 -1.831 -16.236 -2.820 1.00 0.00 O ATOM 46 H TYR A 3 -2.475 -23.044 -7.600 1.00 0.00 H ATOM 47 HA TYR A 3 -2.507 -22.221 -4.676 1.00 0.00 H ATOM 48 HB2 TYR A 3 -0.887 -21.210 -6.323 1.00 0.00 H ATOM 49 HB3 TYR A 3 -2.213 -20.533 -7.232 1.00 0.00 H ATOM 50 HD1 TYR A 3 -0.301 -20.330 -4.027 1.00 0.00 H ATOM 51 HD2 TYR A 3 -3.452 -18.552 -6.355 1.00 0.00 H ATOM 52 HE1 TYR A 3 -0.266 -18.348 -2.573 1.00 0.00 H ATOM 53 HE2 TYR A 3 -3.388 -16.564 -4.903 1.00 0.00 H ATOM 54 HH TYR A 3 -1.107 -16.321 -2.196 1.00 0.00 H ATOM 55 N GLU A 4 -4.999 -21.734 -4.496 1.00 0.00 N ATOM 56 CA GLU A 4 -6.436 -21.399 -4.297 1.00 0.00 C ATOM 57 C GLU A 4 -6.613 -20.730 -2.896 1.00 0.00 C ATOM 58 O GLU A 4 -6.318 -21.334 -1.857 1.00 0.00 O ATOM 59 CB GLU A 4 -7.279 -22.695 -4.457 1.00 0.00 C ATOM 60 CG GLU A 4 -8.807 -22.477 -4.590 1.00 0.00 C ATOM 61 CD GLU A 4 -9.596 -23.774 -4.673 1.00 0.00 C ATOM 62 OE1 GLU A 4 -9.912 -24.351 -3.609 1.00 0.00 O ATOM 63 OE2 GLU A 4 -9.920 -24.209 -5.798 1.00 0.00 O ATOM 64 H GLU A 4 -4.435 -22.128 -3.737 1.00 0.00 H ATOM 65 HA GLU A 4 -6.765 -20.688 -5.084 1.00 0.00 H ATOM 66 HB2 GLU A 4 -6.946 -23.241 -5.360 1.00 0.00 H ATOM 67 HB3 GLU A 4 -7.070 -23.384 -3.615 1.00 0.00 H ATOM 68 HG2 GLU A 4 -9.209 -21.904 -3.737 1.00 0.00 H ATOM 69 HG3 GLU A 4 -9.039 -21.888 -5.496 1.00 0.00 H ATOM 70 N ASN A 5 -7.105 -19.478 -2.860 1.00 0.00 N ATOM 71 CA ASN A 5 -7.339 -18.741 -1.585 1.00 0.00 C ATOM 72 C ASN A 5 -8.757 -19.053 -1.003 1.00 0.00 C ATOM 73 O ASN A 5 -9.780 -18.815 -1.653 1.00 0.00 O ATOM 74 CB ASN A 5 -7.162 -17.211 -1.801 1.00 0.00 C ATOM 75 CG ASN A 5 -5.745 -16.733 -2.135 1.00 0.00 C ATOM 76 OD1 ASN A 5 -5.385 -16.577 -3.294 1.00 0.00 O ATOM 77 ND2 ASN A 5 -4.910 -16.459 -1.160 1.00 0.00 N ATOM 78 H ASN A 5 -7.306 -19.067 -3.777 1.00 0.00 H ATOM 79 HA ASN A 5 -6.570 -19.049 -0.845 1.00 0.00 H ATOM 80 HB2 ASN A 5 -7.830 -16.870 -2.614 1.00 0.00 H ATOM 81 HB3 ASN A 5 -7.517 -16.659 -0.910 1.00 0.00 H ATOM 82 HD21 ASN A 5 -5.263 -16.513 -0.201 1.00 0.00 H ATOM 83 HD22 ASN A 5 -3.994 -16.134 -1.486 1.00 0.00 H ATOM 84 N LYS A 6 -8.813 -19.549 0.245 1.00 0.00 N ATOM 85 CA LYS A 6 -10.095 -19.800 0.964 1.00 0.00 C ATOM 86 C LYS A 6 -10.578 -18.504 1.724 1.00 0.00 C ATOM 87 O LYS A 6 -9.827 -18.040 2.592 1.00 0.00 O ATOM 88 CB LYS A 6 -9.898 -20.983 1.956 1.00 0.00 C ATOM 89 CG LYS A 6 -9.729 -22.389 1.323 1.00 0.00 C ATOM 90 CD LYS A 6 -9.519 -23.482 2.398 1.00 0.00 C ATOM 91 CE LYS A 6 -9.316 -24.911 1.851 1.00 0.00 C ATOM 92 NZ LYS A 6 -10.604 -25.531 1.429 1.00 0.00 N1+ ATOM 93 H LYS A 6 -7.903 -19.685 0.697 1.00 0.00 H ATOM 94 HA LYS A 6 -10.866 -20.127 0.242 1.00 0.00 H ATOM 95 HB2 LYS A 6 -9.042 -20.761 2.624 1.00 0.00 H ATOM 96 HB3 LYS A 6 -10.772 -21.020 2.637 1.00 0.00 H ATOM 97 HG2 LYS A 6 -10.611 -22.620 0.695 1.00 0.00 H ATOM 98 HG3 LYS A 6 -8.869 -22.380 0.622 1.00 0.00 H ATOM 99 HD2 LYS A 6 -8.620 -23.212 2.987 1.00 0.00 H ATOM 100 HD3 LYS A 6 -10.343 -23.459 3.140 1.00 0.00 H ATOM 101 HE2 LYS A 6 -8.580 -24.902 1.015 1.00 0.00 H ATOM 102 HE3 LYS A 6 -8.831 -25.534 2.636 1.00 0.00 H ATOM 103 HZ1 LYS A 6 -11.060 -25.007 0.670 1.00 0.00 H ATOM 104 HZ2 LYS A 6 -10.503 -26.494 1.080 1.00 0.00 H ATOM 105 HZ3 LYS A 6 -11.292 -25.574 2.192 1.00 0.00 H ATOM 106 N PRO A 7 -11.785 -17.895 1.491 1.00 0.00 N ATOM 107 CA PRO A 7 -12.228 -16.674 2.227 1.00 0.00 C ATOM 108 C PRO A 7 -12.465 -16.851 3.763 1.00 0.00 C ATOM 109 O PRO A 7 -13.189 -17.754 4.193 1.00 0.00 O ATOM 110 CB PRO A 7 -13.518 -16.267 1.483 1.00 0.00 C ATOM 111 CG PRO A 7 -13.410 -16.916 0.105 1.00 0.00 C ATOM 112 CD PRO A 7 -12.687 -18.235 0.370 1.00 0.00 C ATOM 113 HA PRO A 7 -11.468 -15.887 2.046 1.00 0.00 H ATOM 114 HB2 PRO A 7 -14.423 -16.652 1.997 1.00 0.00 H ATOM 115 HB3 PRO A 7 -13.642 -15.170 1.420 1.00 0.00 H ATOM 116 HG2 PRO A 7 -14.397 -17.063 -0.374 1.00 0.00 H ATOM 117 HG3 PRO A 7 -12.811 -16.280 -0.576 1.00 0.00 H ATOM 118 HD2 PRO A 7 -13.399 -19.026 0.678 1.00 0.00 H ATOM 119 HD3 PRO A 7 -12.170 -18.576 -0.547 1.00 0.00 H ATOM 120 N ARG A 8 -11.856 -15.974 4.580 1.00 0.00 N ATOM 121 CA ARG A 8 -11.979 -16.034 6.068 1.00 0.00 C ATOM 122 C ARG A 8 -13.205 -15.225 6.625 1.00 0.00 C ATOM 123 O ARG A 8 -14.056 -15.816 7.294 1.00 0.00 O ATOM 124 CB ARG A 8 -10.593 -15.641 6.662 1.00 0.00 C ATOM 125 CG ARG A 8 -10.392 -15.859 8.184 1.00 0.00 C ATOM 126 CD ARG A 8 -10.058 -17.307 8.601 1.00 0.00 C ATOM 127 NE ARG A 8 -9.854 -17.333 10.077 1.00 0.00 N ATOM 128 CZ ARG A 8 -9.448 -18.382 10.793 1.00 0.00 C ATOM 129 NH1 ARG A 8 -9.171 -19.554 10.278 1.00 0.00 N ATOM 130 NH2 ARG A 8 -9.318 -18.234 12.081 1.00 0.00 N ATOM 131 H ARG A 8 -11.197 -15.352 4.105 1.00 0.00 H ATOM 132 HA ARG A 8 -12.156 -17.088 6.366 1.00 0.00 H ATOM 133 HB2 ARG A 8 -9.784 -16.176 6.123 1.00 0.00 H ATOM 134 HB3 ARG A 8 -10.405 -14.573 6.437 1.00 0.00 H ATOM 135 HG2 ARG A 8 -9.564 -15.198 8.509 1.00 0.00 H ATOM 136 HG3 ARG A 8 -11.282 -15.491 8.735 1.00 0.00 H ATOM 137 HD2 ARG A 8 -10.878 -17.994 8.304 1.00 0.00 H ATOM 138 HD3 ARG A 8 -9.147 -17.648 8.067 1.00 0.00 H ATOM 139 HE ARG A 8 -10.024 -16.492 10.635 1.00 0.00 H ATOM 140 HH11 ARG A 8 -9.293 -19.610 9.265 1.00 0.00 H ATOM 141 HH12 ARG A 8 -8.867 -20.302 10.905 1.00 0.00 H ATOM 142 HH21 ARG A 8 -9.538 -17.313 12.467 1.00 0.00 H ATOM 143 HH22 ARG A 8 -9.009 -19.047 12.618 1.00 0.00 H ATOM 144 N ARG A 9 -13.308 -13.901 6.377 1.00 0.00 N ATOM 145 CA ARG A 9 -14.516 -13.096 6.745 1.00 0.00 C ATOM 146 C ARG A 9 -15.735 -13.273 5.752 1.00 0.00 C ATOM 147 O ARG A 9 -15.499 -13.638 4.594 1.00 0.00 O ATOM 148 CB ARG A 9 -14.066 -11.619 6.986 1.00 0.00 C ATOM 149 CG ARG A 9 -13.687 -10.748 5.757 1.00 0.00 C ATOM 150 CD ARG A 9 -12.997 -9.402 6.078 1.00 0.00 C ATOM 151 NE ARG A 9 -13.948 -8.351 6.550 1.00 0.00 N ATOM 152 CZ ARG A 9 -14.167 -8.001 7.820 1.00 0.00 C ATOM 153 NH1 ARG A 9 -13.595 -8.583 8.844 1.00 0.00 N ATOM 154 NH2 ARG A 9 -15.000 -7.029 8.056 1.00 0.00 N ATOM 155 H ARG A 9 -12.595 -13.548 5.734 1.00 0.00 H ATOM 156 HA ARG A 9 -14.863 -13.466 7.730 1.00 0.00 H ATOM 157 HB2 ARG A 9 -14.869 -11.093 7.533 1.00 0.00 H ATOM 158 HB3 ARG A 9 -13.219 -11.631 7.699 1.00 0.00 H ATOM 159 HG2 ARG A 9 -13.016 -11.328 5.095 1.00 0.00 H ATOM 160 HG3 ARG A 9 -14.591 -10.560 5.144 1.00 0.00 H ATOM 161 HD2 ARG A 9 -12.129 -9.545 6.753 1.00 0.00 H ATOM 162 HD3 ARG A 9 -12.527 -9.029 5.144 1.00 0.00 H ATOM 163 HE ARG A 9 -14.478 -7.792 5.874 1.00 0.00 H ATOM 164 HH11 ARG A 9 -12.958 -9.338 8.587 1.00 0.00 H ATOM 165 HH12 ARG A 9 -13.819 -8.254 9.784 1.00 0.00 H ATOM 166 HH21 ARG A 9 -15.433 -6.579 7.247 1.00 0.00 H ATOM 167 HH22 ARG A 9 -15.156 -6.776 9.034 1.00 0.00 H ATOM 168 N PRO A 10 -17.035 -13.029 6.112 1.00 0.00 N ATOM 169 CA PRO A 10 -18.174 -13.214 5.166 1.00 0.00 C ATOM 170 C PRO A 10 -18.319 -12.049 4.129 1.00 0.00 C ATOM 171 O PRO A 10 -18.859 -10.979 4.430 1.00 0.00 O ATOM 172 CB PRO A 10 -19.367 -13.383 6.131 1.00 0.00 C ATOM 173 CG PRO A 10 -18.992 -12.588 7.383 1.00 0.00 C ATOM 174 CD PRO A 10 -17.473 -12.743 7.494 1.00 0.00 C ATOM 175 HA PRO A 10 -18.063 -14.173 4.619 1.00 0.00 H ATOM 176 HB2 PRO A 10 -20.332 -13.057 5.695 1.00 0.00 H ATOM 177 HB3 PRO A 10 -19.492 -14.453 6.390 1.00 0.00 H ATOM 178 HG2 PRO A 10 -19.261 -11.522 7.245 1.00 0.00 H ATOM 179 HG3 PRO A 10 -19.525 -12.941 8.286 1.00 0.00 H ATOM 180 HD2 PRO A 10 -17.016 -11.824 7.906 1.00 0.00 H ATOM 181 HD3 PRO A 10 -17.218 -13.584 8.169 1.00 0.00 H ATOM 182 N TYR A 11 -17.812 -12.275 2.905 1.00 0.00 N ATOM 183 CA TYR A 11 -17.875 -11.282 1.788 1.00 0.00 C ATOM 184 C TYR A 11 -18.328 -11.923 0.436 1.00 0.00 C ATOM 185 O TYR A 11 -19.380 -11.543 -0.087 1.00 0.00 O ATOM 186 CB TYR A 11 -16.590 -10.394 1.721 1.00 0.00 C ATOM 187 CG TYR A 11 -15.249 -11.043 1.313 1.00 0.00 C ATOM 188 CD1 TYR A 11 -14.464 -11.688 2.270 1.00 0.00 C ATOM 189 CD2 TYR A 11 -14.801 -10.994 -0.013 1.00 0.00 C ATOM 190 CE1 TYR A 11 -13.259 -12.288 1.916 1.00 0.00 C ATOM 191 CE2 TYR A 11 -13.599 -11.601 -0.371 1.00 0.00 C ATOM 192 CZ TYR A 11 -12.829 -12.246 0.592 1.00 0.00 C ATOM 193 OH TYR A 11 -11.651 -12.841 0.232 1.00 0.00 O ATOM 194 H TYR A 11 -17.298 -13.160 2.833 1.00 0.00 H ATOM 195 HA TYR A 11 -18.695 -10.569 2.012 1.00 0.00 H ATOM 196 HB2 TYR A 11 -16.798 -9.544 1.044 1.00 0.00 H ATOM 197 HB3 TYR A 11 -16.464 -9.902 2.705 1.00 0.00 H ATOM 198 HD1 TYR A 11 -14.805 -11.737 3.289 1.00 0.00 H ATOM 199 HD2 TYR A 11 -15.397 -10.507 -0.772 1.00 0.00 H ATOM 200 HE1 TYR A 11 -12.673 -12.793 2.669 1.00 0.00 H ATOM 201 HE2 TYR A 11 -13.262 -11.576 -1.398 1.00 0.00 H ATOM 202 HH TYR A 11 -11.198 -13.148 1.019 1.00 0.00 H ATOM 203 N ILE A 12 -17.568 -12.883 -0.130 1.00 0.00 N ATOM 204 CA ILE A 12 -17.957 -13.607 -1.377 1.00 0.00 C ATOM 205 C ILE A 12 -18.721 -14.924 -1.004 1.00 0.00 C ATOM 206 O ILE A 12 -18.116 -15.974 -0.772 1.00 0.00 O ATOM 207 CB ILE A 12 -16.733 -13.723 -2.359 1.00 0.00 C ATOM 208 CG1 ILE A 12 -17.173 -14.146 -3.792 1.00 0.00 C ATOM 209 CG2 ILE A 12 -15.559 -14.613 -1.869 1.00 0.00 C ATOM 210 CD1 ILE A 12 -16.230 -13.688 -4.921 1.00 0.00 C ATOM 211 H ILE A 12 -16.714 -13.112 0.389 1.00 0.00 H ATOM 212 HA ILE A 12 -18.675 -12.968 -1.933 1.00 0.00 H ATOM 213 HB ILE A 12 -16.326 -12.695 -2.447 1.00 0.00 H ATOM 214 HG12 ILE A 12 -17.314 -15.244 -3.840 1.00 0.00 H ATOM 215 HG13 ILE A 12 -18.174 -13.734 -4.022 1.00 0.00 H ATOM 216 HG21 ILE A 12 -14.683 -14.552 -2.541 1.00 0.00 H ATOM 217 HG22 ILE A 12 -15.845 -15.680 -1.817 1.00 0.00 H ATOM 218 HG23 ILE A 12 -15.205 -14.323 -0.864 1.00 0.00 H ATOM 219 HD11 ILE A 12 -15.217 -14.120 -4.824 1.00 0.00 H ATOM 220 HD12 ILE A 12 -16.120 -12.587 -4.942 1.00 0.00 H ATOM 221 HD13 ILE A 12 -16.616 -13.990 -5.912 1.00 0.00 H ATOM 222 N LEU A 13 -20.060 -14.824 -0.912 1.00 0.00 N ATOM 223 CA LEU A 13 -20.956 -15.964 -0.580 1.00 0.00 C ATOM 224 C LEU A 13 -21.412 -16.760 -1.842 1.00 0.00 C ATOM 225 O LEU A 13 -21.996 -16.169 -2.784 1.00 0.00 O ATOM 226 CB LEU A 13 -22.125 -15.504 0.348 1.00 0.00 C ATOM 227 CG LEU A 13 -23.257 -14.578 -0.195 1.00 0.00 C ATOM 228 CD1 LEU A 13 -24.501 -14.661 0.711 1.00 0.00 C ATOM 229 CD2 LEU A 13 -22.849 -13.097 -0.315 1.00 0.00 C ATOM 230 OXT LEU A 13 -21.183 -17.992 -1.888 1.00 0.00 O ATOM 231 H LEU A 13 -20.443 -13.891 -1.083 1.00 0.00 H ATOM 232 HA LEU A 13 -20.382 -16.680 0.041 1.00 0.00 H ATOM 233 HB2 LEU A 13 -22.595 -16.440 0.706 1.00 0.00 H ATOM 234 HB3 LEU A 13 -21.702 -15.059 1.270 1.00 0.00 H ATOM 235 HG LEU A 13 -23.555 -14.940 -1.199 1.00 0.00 H ATOM 236 HD11 LEU A 13 -24.880 -15.697 0.787 1.00 0.00 H ATOM 237 HD12 LEU A 13 -24.291 -14.313 1.740 1.00 0.00 H ATOM 238 HD13 LEU A 13 -25.336 -14.050 0.320 1.00 0.00 H ATOM 239 HD21 LEU A 13 -22.521 -12.675 0.654 1.00 0.00 H ATOM 240 HD22 LEU A 13 -23.685 -12.471 -0.680 1.00 0.00 H ATOM 241 HD23 LEU A 13 -22.026 -12.949 -1.033 1.00 0.00 H TER 242 LEU A 13 ENDMDL MODEL 6 HETATM 1 N PCA A 1 -5.843 -24.230 -11.721 1.00 0.00 N HETATM 2 CA PCA A 1 -5.607 -24.386 -10.275 1.00 0.00 C HETATM 3 CB PCA A 1 -4.611 -23.235 -10.007 1.00 0.00 C HETATM 4 CG PCA A 1 -4.786 -22.247 -11.171 1.00 0.00 C HETATM 5 CD PCA A 1 -5.434 -23.097 -12.239 1.00 0.00 C HETATM 6 OE PCA A 1 -5.580 -22.786 -13.416 1.00 0.00 O HETATM 7 C PCA A 1 -6.916 -24.328 -9.424 1.00 0.00 C HETATM 8 O PCA A 1 -7.669 -23.351 -9.478 1.00 0.00 O HETATM 9 H1 PCA A 1 -6.387 -24.835 -12.341 1.00 0.00 H HETATM 10 HA PCA A 1 -5.087 -25.349 -10.105 1.00 0.00 H HETATM 11 HB2 PCA A 1 -4.746 -22.751 -9.021 1.00 0.00 H HETATM 12 HB3 PCA A 1 -3.575 -23.626 -10.005 1.00 0.00 H HETATM 13 HG2 PCA A 1 -5.461 -21.413 -10.903 1.00 0.00 H HETATM 14 HG3 PCA A 1 -3.829 -21.817 -11.516 1.00 0.00 H ATOM 15 N LEU A 2 -7.180 -25.382 -8.630 1.00 0.00 N ATOM 16 CA LEU A 2 -8.407 -25.468 -7.781 1.00 0.00 C ATOM 17 C LEU A 2 -8.257 -24.727 -6.406 1.00 0.00 C ATOM 18 O LEU A 2 -9.062 -23.840 -6.110 1.00 0.00 O ATOM 19 CB LEU A 2 -8.869 -26.952 -7.629 1.00 0.00 C ATOM 20 CG LEU A 2 -9.570 -27.620 -8.849 1.00 0.00 C ATOM 21 CD1 LEU A 2 -8.596 -28.085 -9.949 1.00 0.00 C ATOM 22 CD2 LEU A 2 -10.397 -28.839 -8.397 1.00 0.00 C ATOM 23 H LEU A 2 -6.507 -26.152 -8.691 1.00 0.00 H ATOM 24 HA LEU A 2 -9.236 -24.942 -8.297 1.00 0.00 H ATOM 25 HB2 LEU A 2 -8.035 -27.587 -7.273 1.00 0.00 H ATOM 26 HB3 LEU A 2 -9.592 -26.973 -6.789 1.00 0.00 H ATOM 27 HG LEU A 2 -10.276 -26.892 -9.296 1.00 0.00 H ATOM 28 HD11 LEU A 2 -8.027 -27.247 -10.385 1.00 0.00 H ATOM 29 HD12 LEU A 2 -7.864 -28.825 -9.574 1.00 0.00 H ATOM 30 HD13 LEU A 2 -9.132 -28.560 -10.793 1.00 0.00 H ATOM 31 HD21 LEU A 2 -11.163 -28.563 -7.650 1.00 0.00 H ATOM 32 HD22 LEU A 2 -9.768 -29.628 -7.943 1.00 0.00 H ATOM 33 HD23 LEU A 2 -10.941 -29.304 -9.242 1.00 0.00 H ATOM 34 N TYR A 3 -7.261 -25.080 -5.566 1.00 0.00 N ATOM 35 CA TYR A 3 -6.984 -24.364 -4.289 1.00 0.00 C ATOM 36 C TYR A 3 -5.957 -23.203 -4.504 1.00 0.00 C ATOM 37 O TYR A 3 -4.808 -23.451 -4.880 1.00 0.00 O ATOM 38 CB TYR A 3 -6.487 -25.414 -3.253 1.00 0.00 C ATOM 39 CG TYR A 3 -6.391 -24.896 -1.805 1.00 0.00 C ATOM 40 CD1 TYR A 3 -7.492 -24.991 -0.948 1.00 0.00 C ATOM 41 CD2 TYR A 3 -5.205 -24.318 -1.334 1.00 0.00 C ATOM 42 CE1 TYR A 3 -7.409 -24.519 0.360 1.00 0.00 C ATOM 43 CE2 TYR A 3 -5.126 -23.840 -0.028 1.00 0.00 C ATOM 44 CZ TYR A 3 -6.226 -23.945 0.819 1.00 0.00 C ATOM 45 OH TYR A 3 -6.141 -23.501 2.110 1.00 0.00 O ATOM 46 H TYR A 3 -6.596 -25.749 -5.965 1.00 0.00 H ATOM 47 HA TYR A 3 -7.934 -23.951 -3.891 1.00 0.00 H ATOM 48 HB2 TYR A 3 -7.154 -26.298 -3.267 1.00 0.00 H ATOM 49 HB3 TYR A 3 -5.505 -25.817 -3.572 1.00 0.00 H ATOM 50 HD1 TYR A 3 -8.416 -25.433 -1.294 1.00 0.00 H ATOM 51 HD2 TYR A 3 -4.346 -24.227 -1.986 1.00 0.00 H ATOM 52 HE1 TYR A 3 -8.265 -24.605 1.013 1.00 0.00 H ATOM 53 HE2 TYR A 3 -4.209 -23.395 0.330 1.00 0.00 H ATOM 54 HH TYR A 3 -6.924 -23.793 2.581 1.00 0.00 H ATOM 55 N GLU A 4 -6.377 -21.959 -4.221 1.00 0.00 N ATOM 56 CA GLU A 4 -5.500 -20.749 -4.313 1.00 0.00 C ATOM 57 C GLU A 4 -5.680 -19.827 -3.057 1.00 0.00 C ATOM 58 O GLU A 4 -4.714 -19.599 -2.323 1.00 0.00 O ATOM 59 CB GLU A 4 -5.733 -19.996 -5.660 1.00 0.00 C ATOM 60 CG GLU A 4 -5.166 -20.670 -6.941 1.00 0.00 C ATOM 61 CD GLU A 4 -3.656 -20.588 -7.136 1.00 0.00 C ATOM 62 OE1 GLU A 4 -3.143 -19.477 -7.386 1.00 0.00 O ATOM 63 OE2 GLU A 4 -2.986 -21.640 -7.086 1.00 0.00 O ATOM 64 H GLU A 4 -7.352 -21.902 -3.914 1.00 0.00 H ATOM 65 HA GLU A 4 -4.433 -21.053 -4.296 1.00 0.00 H ATOM 66 HB2 GLU A 4 -6.817 -19.824 -5.801 1.00 0.00 H ATOM 67 HB3 GLU A 4 -5.299 -18.978 -5.596 1.00 0.00 H ATOM 68 HG2 GLU A 4 -5.459 -21.733 -6.984 1.00 0.00 H ATOM 69 HG3 GLU A 4 -5.610 -20.206 -7.837 1.00 0.00 H ATOM 70 N ASN A 5 -6.897 -19.299 -2.792 1.00 0.00 N ATOM 71 CA ASN A 5 -7.176 -18.418 -1.621 1.00 0.00 C ATOM 72 C ASN A 5 -8.485 -18.886 -0.906 1.00 0.00 C ATOM 73 O ASN A 5 -9.564 -18.925 -1.506 1.00 0.00 O ATOM 74 CB ASN A 5 -7.292 -16.930 -2.060 1.00 0.00 C ATOM 75 CG ASN A 5 -5.987 -16.263 -2.513 1.00 0.00 C ATOM 76 OD1 ASN A 5 -5.632 -16.263 -3.685 1.00 0.00 O ATOM 77 ND2 ASN A 5 -5.240 -15.656 -1.621 1.00 0.00 N ATOM 78 H ASN A 5 -7.616 -19.544 -3.479 1.00 0.00 H ATOM 79 HA ASN A 5 -6.341 -18.484 -0.892 1.00 0.00 H ATOM 80 HB2 ASN A 5 -8.021 -16.839 -2.886 1.00 0.00 H ATOM 81 HB3 ASN A 5 -7.733 -16.326 -1.244 1.00 0.00 H ATOM 82 HD21 ASN A 5 -5.580 -15.622 -0.658 1.00 0.00 H ATOM 83 HD22 ASN A 5 -4.391 -15.241 -2.014 1.00 0.00 H ATOM 84 N LYS A 6 -8.390 -19.208 0.396 1.00 0.00 N ATOM 85 CA LYS A 6 -9.557 -19.610 1.231 1.00 0.00 C ATOM 86 C LYS A 6 -10.318 -18.371 1.848 1.00 0.00 C ATOM 87 O LYS A 6 -9.677 -17.622 2.599 1.00 0.00 O ATOM 88 CB LYS A 6 -9.100 -20.669 2.285 1.00 0.00 C ATOM 89 CG LYS A 6 -8.171 -20.272 3.472 1.00 0.00 C ATOM 90 CD LYS A 6 -6.667 -20.139 3.126 1.00 0.00 C ATOM 91 CE LYS A 6 -5.739 -19.843 4.322 1.00 0.00 C ATOM 92 NZ LYS A 6 -5.789 -18.402 4.699 1.00 0.00 N1+ ATOM 93 H LYS A 6 -7.447 -19.150 0.783 1.00 0.00 H ATOM 94 HA LYS A 6 -10.257 -20.163 0.577 1.00 0.00 H ATOM 95 HB2 LYS A 6 -10.025 -21.088 2.727 1.00 0.00 H ATOM 96 HB3 LYS A 6 -8.660 -21.537 1.755 1.00 0.00 H ATOM 97 HG2 LYS A 6 -8.549 -19.351 3.953 1.00 0.00 H ATOM 98 HG3 LYS A 6 -8.279 -21.050 4.254 1.00 0.00 H ATOM 99 HD2 LYS A 6 -6.336 -21.087 2.662 1.00 0.00 H ATOM 100 HD3 LYS A 6 -6.508 -19.386 2.333 1.00 0.00 H ATOM 101 HE2 LYS A 6 -5.991 -20.501 5.184 1.00 0.00 H ATOM 102 HE3 LYS A 6 -4.697 -20.134 4.054 1.00 0.00 H ATOM 103 HZ1 LYS A 6 -5.169 -18.156 5.483 1.00 0.00 H ATOM 104 HZ2 LYS A 6 -6.734 -18.097 4.964 1.00 0.00 H ATOM 105 HZ3 LYS A 6 -5.516 -17.786 3.921 1.00 0.00 H ATOM 106 N PRO A 7 -11.641 -18.098 1.607 1.00 0.00 N ATOM 107 CA PRO A 7 -12.333 -16.913 2.190 1.00 0.00 C ATOM 108 C PRO A 7 -12.685 -17.076 3.708 1.00 0.00 C ATOM 109 O PRO A 7 -13.548 -17.871 4.089 1.00 0.00 O ATOM 110 CB PRO A 7 -13.559 -16.756 1.266 1.00 0.00 C ATOM 111 CG PRO A 7 -13.850 -18.162 0.737 1.00 0.00 C ATOM 112 CD PRO A 7 -12.474 -18.821 0.619 1.00 0.00 C ATOM 113 HA PRO A 7 -11.705 -16.010 2.049 1.00 0.00 H ATOM 114 HB2 PRO A 7 -14.435 -16.306 1.772 1.00 0.00 H ATOM 115 HB3 PRO A 7 -13.313 -16.081 0.422 1.00 0.00 H ATOM 116 HG2 PRO A 7 -14.476 -18.713 1.465 1.00 0.00 H ATOM 117 HG3 PRO A 7 -14.407 -18.151 -0.219 1.00 0.00 H ATOM 118 HD2 PRO A 7 -12.540 -19.907 0.827 1.00 0.00 H ATOM 119 HD3 PRO A 7 -12.065 -18.696 -0.404 1.00 0.00 H ATOM 120 N ARG A 8 -11.987 -16.314 4.569 1.00 0.00 N ATOM 121 CA ARG A 8 -12.179 -16.370 6.051 1.00 0.00 C ATOM 122 C ARG A 8 -13.304 -15.408 6.577 1.00 0.00 C ATOM 123 O ARG A 8 -14.218 -15.875 7.260 1.00 0.00 O ATOM 124 CB ARG A 8 -10.780 -16.163 6.704 1.00 0.00 C ATOM 125 CG ARG A 8 -10.661 -16.422 8.230 1.00 0.00 C ATOM 126 CD ARG A 8 -10.544 -17.906 8.641 1.00 0.00 C ATOM 127 NE ARG A 8 -10.356 -17.981 10.119 1.00 0.00 N ATOM 128 CZ ARG A 8 -10.506 -19.067 10.877 1.00 0.00 C ATOM 129 NH1 ARG A 8 -10.819 -20.248 10.404 1.00 0.00 N ATOM 130 NH2 ARG A 8 -10.332 -18.949 12.162 1.00 0.00 N ATOM 131 H ARG A 8 -11.221 -15.800 4.124 1.00 0.00 H ATOM 132 HA ARG A 8 -12.506 -17.394 6.325 1.00 0.00 H ATOM 133 HB2 ARG A 8 -10.023 -16.783 6.184 1.00 0.00 H ATOM 134 HB3 ARG A 8 -10.456 -15.122 6.506 1.00 0.00 H ATOM 135 HG2 ARG A 8 -9.766 -15.877 8.593 1.00 0.00 H ATOM 136 HG3 ARG A 8 -11.513 -15.946 8.758 1.00 0.00 H ATOM 137 HD2 ARG A 8 -11.449 -18.456 8.311 1.00 0.00 H ATOM 138 HD3 ARG A 8 -9.681 -18.377 8.125 1.00 0.00 H ATOM 139 HE ARG A 8 -10.110 -17.141 10.651 1.00 0.00 H ATOM 140 HH11 ARG A 8 -10.945 -20.278 9.391 1.00 0.00 H ATOM 141 HH12 ARG A 8 -10.926 -21.022 11.062 1.00 0.00 H ATOM 142 HH21 ARG A 8 -10.091 -18.021 12.517 1.00 0.00 H ATOM 143 HH22 ARG A 8 -10.459 -19.788 12.732 1.00 0.00 H ATOM 144 N ARG A 9 -13.247 -14.088 6.289 1.00 0.00 N ATOM 145 CA ARG A 9 -14.357 -13.137 6.615 1.00 0.00 C ATOM 146 C ARG A 9 -15.614 -13.269 5.662 1.00 0.00 C ATOM 147 O ARG A 9 -15.434 -13.688 4.512 1.00 0.00 O ATOM 148 CB ARG A 9 -13.761 -11.695 6.724 1.00 0.00 C ATOM 149 CG ARG A 9 -13.286 -10.986 5.423 1.00 0.00 C ATOM 150 CD ARG A 9 -12.648 -9.588 5.599 1.00 0.00 C ATOM 151 NE ARG A 9 -11.256 -9.670 6.127 1.00 0.00 N ATOM 152 CZ ARG A 9 -10.382 -8.662 6.178 1.00 0.00 C ATOM 153 NH1 ARG A 9 -10.644 -7.447 5.760 1.00 0.00 N ATOM 154 NH2 ARG A 9 -9.197 -8.895 6.669 1.00 0.00 N ATOM 155 H ARG A 9 -12.515 -13.854 5.613 1.00 0.00 H ATOM 156 HA ARG A 9 -14.706 -13.395 7.634 1.00 0.00 H ATOM 157 HB2 ARG A 9 -14.520 -11.046 7.202 1.00 0.00 H ATOM 158 HB3 ARG A 9 -12.932 -11.712 7.457 1.00 0.00 H ATOM 159 HG2 ARG A 9 -12.610 -11.641 4.838 1.00 0.00 H ATOM 160 HG3 ARG A 9 -14.172 -10.857 4.775 1.00 0.00 H ATOM 161 HD2 ARG A 9 -12.652 -9.086 4.609 1.00 0.00 H ATOM 162 HD3 ARG A 9 -13.284 -8.959 6.257 1.00 0.00 H ATOM 163 HE ARG A 9 -10.896 -10.555 6.496 1.00 0.00 H ATOM 164 HH11 ARG A 9 -11.587 -7.322 5.389 1.00 0.00 H ATOM 165 HH12 ARG A 9 -9.911 -6.738 5.832 1.00 0.00 H ATOM 166 HH21 ARG A 9 -9.006 -9.844 6.992 1.00 0.00 H ATOM 167 HH22 ARG A 9 -8.542 -8.111 6.697 1.00 0.00 H ATOM 168 N PRO A 10 -16.887 -12.936 6.046 1.00 0.00 N ATOM 169 CA PRO A 10 -18.062 -13.085 5.137 1.00 0.00 C ATOM 170 C PRO A 10 -18.189 -11.934 4.080 1.00 0.00 C ATOM 171 O PRO A 10 -18.606 -10.815 4.396 1.00 0.00 O ATOM 172 CB PRO A 10 -19.232 -13.176 6.138 1.00 0.00 C ATOM 173 CG PRO A 10 -18.784 -12.373 7.362 1.00 0.00 C ATOM 174 CD PRO A 10 -17.270 -12.588 7.432 1.00 0.00 C ATOM 175 HA PRO A 10 -18.012 -14.059 4.609 1.00 0.00 H ATOM 176 HB2 PRO A 10 -20.193 -12.814 5.723 1.00 0.00 H ATOM 177 HB3 PRO A 10 -19.400 -14.233 6.426 1.00 0.00 H ATOM 178 HG2 PRO A 10 -19.013 -11.300 7.210 1.00 0.00 H ATOM 179 HG3 PRO A 10 -19.303 -12.686 8.287 1.00 0.00 H ATOM 180 HD2 PRO A 10 -16.757 -11.678 7.798 1.00 0.00 H ATOM 181 HD3 PRO A 10 -17.031 -13.418 8.125 1.00 0.00 H ATOM 182 N TYR A 11 -17.812 -12.227 2.822 1.00 0.00 N ATOM 183 CA TYR A 11 -17.881 -11.248 1.692 1.00 0.00 C ATOM 184 C TYR A 11 -18.391 -11.887 0.358 1.00 0.00 C ATOM 185 O TYR A 11 -19.430 -11.461 -0.152 1.00 0.00 O ATOM 186 CB TYR A 11 -16.580 -10.390 1.572 1.00 0.00 C ATOM 187 CG TYR A 11 -15.275 -11.070 1.104 1.00 0.00 C ATOM 188 CD1 TYR A 11 -14.524 -11.834 1.997 1.00 0.00 C ATOM 189 CD2 TYR A 11 -14.825 -10.929 -0.214 1.00 0.00 C ATOM 190 CE1 TYR A 11 -13.352 -12.461 1.588 1.00 0.00 C ATOM 191 CE2 TYR A 11 -13.652 -11.558 -0.629 1.00 0.00 C ATOM 192 CZ TYR A 11 -12.916 -12.323 0.273 1.00 0.00 C ATOM 193 OH TYR A 11 -11.761 -12.941 -0.122 1.00 0.00 O ATOM 194 H TYR A 11 -17.418 -13.168 2.718 1.00 0.00 H ATOM 195 HA TYR A 11 -18.677 -10.514 1.936 1.00 0.00 H ATOM 196 HB2 TYR A 11 -16.801 -9.532 0.908 1.00 0.00 H ATOM 197 HB3 TYR A 11 -16.395 -9.905 2.550 1.00 0.00 H ATOM 198 HD1 TYR A 11 -14.865 -11.947 3.010 1.00 0.00 H ATOM 199 HD2 TYR A 11 -15.396 -10.347 -0.924 1.00 0.00 H ATOM 200 HE1 TYR A 11 -12.781 -13.056 2.286 1.00 0.00 H ATOM 201 HE2 TYR A 11 -13.323 -11.454 -1.653 1.00 0.00 H ATOM 202 HH TYR A 11 -11.584 -12.713 -1.037 1.00 0.00 H ATOM 203 N ILE A 12 -17.694 -12.897 -0.204 1.00 0.00 N ATOM 204 CA ILE A 12 -18.181 -13.662 -1.394 1.00 0.00 C ATOM 205 C ILE A 12 -19.065 -14.872 -0.932 1.00 0.00 C ATOM 206 O ILE A 12 -18.592 -15.764 -0.220 1.00 0.00 O ATOM 207 CB ILE A 12 -17.035 -14.078 -2.388 1.00 0.00 C ATOM 208 CG1 ILE A 12 -15.862 -14.908 -1.780 1.00 0.00 C ATOM 209 CG2 ILE A 12 -16.486 -12.861 -3.177 1.00 0.00 C ATOM 210 CD1 ILE A 12 -15.136 -15.819 -2.788 1.00 0.00 C ATOM 211 H ILE A 12 -16.845 -13.165 0.303 1.00 0.00 H ATOM 212 HA ILE A 12 -18.835 -12.990 -1.988 1.00 0.00 H ATOM 213 HB ILE A 12 -17.527 -14.722 -3.145 1.00 0.00 H ATOM 214 HG12 ILE A 12 -15.133 -14.240 -1.281 1.00 0.00 H ATOM 215 HG13 ILE A 12 -16.239 -15.558 -0.969 1.00 0.00 H ATOM 216 HG21 ILE A 12 -17.289 -12.302 -3.690 1.00 0.00 H ATOM 217 HG22 ILE A 12 -15.968 -12.144 -2.517 1.00 0.00 H ATOM 218 HG23 ILE A 12 -15.763 -13.161 -3.958 1.00 0.00 H ATOM 219 HD11 ILE A 12 -14.342 -16.411 -2.298 1.00 0.00 H ATOM 220 HD12 ILE A 12 -15.834 -16.541 -3.255 1.00 0.00 H ATOM 221 HD13 ILE A 12 -14.660 -15.247 -3.605 1.00 0.00 H ATOM 222 N LEU A 13 -20.347 -14.878 -1.337 1.00 0.00 N ATOM 223 CA LEU A 13 -21.302 -15.975 -1.021 1.00 0.00 C ATOM 224 C LEU A 13 -21.275 -17.086 -2.117 1.00 0.00 C ATOM 225 O LEU A 13 -21.566 -16.800 -3.305 1.00 0.00 O ATOM 226 CB LEU A 13 -22.705 -15.321 -0.840 1.00 0.00 C ATOM 227 CG LEU A 13 -23.818 -16.223 -0.237 1.00 0.00 C ATOM 228 CD1 LEU A 13 -23.653 -16.422 1.282 1.00 0.00 C ATOM 229 CD2 LEU A 13 -25.207 -15.623 -0.516 1.00 0.00 C ATOM 230 OXT LEU A 13 -20.971 -18.254 -1.782 1.00 0.00 O ATOM 231 H LEU A 13 -20.633 -14.092 -1.924 1.00 0.00 H ATOM 232 HA LEU A 13 -21.020 -16.438 -0.055 1.00 0.00 H ATOM 233 HB2 LEU A 13 -22.626 -14.408 -0.217 1.00 0.00 H ATOM 234 HB3 LEU A 13 -23.032 -14.951 -1.832 1.00 0.00 H ATOM 235 HG LEU A 13 -23.774 -17.216 -0.729 1.00 0.00 H ATOM 236 HD11 LEU A 13 -24.436 -17.084 1.695 1.00 0.00 H ATOM 237 HD12 LEU A 13 -22.681 -16.886 1.530 1.00 0.00 H ATOM 238 HD13 LEU A 13 -23.707 -15.464 1.833 1.00 0.00 H ATOM 239 HD21 LEU A 13 -26.019 -16.260 -0.119 1.00 0.00 H ATOM 240 HD22 LEU A 13 -25.389 -15.519 -1.602 1.00 0.00 H ATOM 241 HD23 LEU A 13 -25.324 -14.619 -0.067 1.00 0.00 H TER 242 LEU A 13 ENDMDL MODEL 7 HETATM 1 N PCA A 1 -1.673 -27.572 -7.874 1.00 0.00 N HETATM 2 CA PCA A 1 -2.530 -27.097 -6.774 1.00 0.00 C HETATM 3 CB PCA A 1 -1.538 -26.222 -5.972 1.00 0.00 C HETATM 4 CG PCA A 1 -0.399 -25.878 -6.946 1.00 0.00 C HETATM 5 CD PCA A 1 -0.534 -26.939 -8.013 1.00 0.00 C HETATM 6 OE PCA A 1 0.283 -27.178 -8.896 1.00 0.00 O HETATM 7 C PCA A 1 -3.807 -26.344 -7.266 1.00 0.00 C HETATM 8 O PCA A 1 -3.720 -25.359 -8.006 1.00 0.00 O HETATM 9 H1 PCA A 1 -1.909 -28.234 -8.618 1.00 0.00 H HETATM 10 HA PCA A 1 -2.819 -27.967 -6.153 1.00 0.00 H HETATM 11 HB2 PCA A 1 -2.003 -25.318 -5.533 1.00 0.00 H HETATM 12 HB3 PCA A 1 -1.134 -26.804 -5.121 1.00 0.00 H HETATM 13 HG2 PCA A 1 -0.537 -24.880 -7.404 1.00 0.00 H HETATM 14 HG3 PCA A 1 0.598 -25.905 -6.472 1.00 0.00 H ATOM 15 N LEU A 2 -4.997 -26.807 -6.841 1.00 0.00 N ATOM 16 CA LEU A 2 -6.295 -26.190 -7.249 1.00 0.00 C ATOM 17 C LEU A 2 -6.702 -24.960 -6.366 1.00 0.00 C ATOM 18 O LEU A 2 -6.935 -23.879 -6.911 1.00 0.00 O ATOM 19 CB LEU A 2 -7.417 -27.273 -7.333 1.00 0.00 C ATOM 20 CG LEU A 2 -7.400 -28.233 -8.560 1.00 0.00 C ATOM 21 CD1 LEU A 2 -6.370 -29.373 -8.443 1.00 0.00 C ATOM 22 CD2 LEU A 2 -8.790 -28.862 -8.771 1.00 0.00 C ATOM 23 H LEU A 2 -4.955 -27.659 -6.275 1.00 0.00 H ATOM 24 HA LEU A 2 -6.190 -25.778 -8.274 1.00 0.00 H ATOM 25 HB2 LEU A 2 -7.471 -27.854 -6.393 1.00 0.00 H ATOM 26 HB3 LEU A 2 -8.381 -26.728 -7.362 1.00 0.00 H ATOM 27 HG LEU A 2 -7.164 -27.644 -9.468 1.00 0.00 H ATOM 28 HD11 LEU A 2 -5.335 -28.997 -8.376 1.00 0.00 H ATOM 29 HD12 LEU A 2 -6.395 -30.036 -9.329 1.00 0.00 H ATOM 30 HD13 LEU A 2 -6.551 -30.011 -7.557 1.00 0.00 H ATOM 31 HD21 LEU A 2 -9.106 -29.480 -7.909 1.00 0.00 H ATOM 32 HD22 LEU A 2 -8.815 -29.514 -9.665 1.00 0.00 H ATOM 33 HD23 LEU A 2 -9.570 -28.094 -8.925 1.00 0.00 H ATOM 34 N TYR A 3 -6.809 -25.111 -5.030 1.00 0.00 N ATOM 35 CA TYR A 3 -7.091 -23.977 -4.104 1.00 0.00 C ATOM 36 C TYR A 3 -5.813 -23.143 -3.738 1.00 0.00 C ATOM 37 O TYR A 3 -4.728 -23.698 -3.534 1.00 0.00 O ATOM 38 CB TYR A 3 -7.865 -24.507 -2.855 1.00 0.00 C ATOM 39 CG TYR A 3 -7.076 -25.351 -1.830 1.00 0.00 C ATOM 40 CD1 TYR A 3 -6.421 -24.725 -0.762 1.00 0.00 C ATOM 41 CD2 TYR A 3 -6.959 -26.736 -1.989 1.00 0.00 C ATOM 42 CE1 TYR A 3 -5.638 -25.472 0.117 1.00 0.00 C ATOM 43 CE2 TYR A 3 -6.177 -27.480 -1.108 1.00 0.00 C ATOM 44 CZ TYR A 3 -5.516 -26.848 -0.059 1.00 0.00 C ATOM 45 OH TYR A 3 -4.730 -27.583 0.786 1.00 0.00 O ATOM 46 H TYR A 3 -6.479 -26.016 -4.683 1.00 0.00 H ATOM 47 HA TYR A 3 -7.800 -23.296 -4.620 1.00 0.00 H ATOM 48 HB2 TYR A 3 -8.308 -23.638 -2.333 1.00 0.00 H ATOM 49 HB3 TYR A 3 -8.755 -25.073 -3.192 1.00 0.00 H ATOM 50 HD1 TYR A 3 -6.484 -23.653 -0.636 1.00 0.00 H ATOM 51 HD2 TYR A 3 -7.455 -27.236 -2.809 1.00 0.00 H ATOM 52 HE1 TYR A 3 -5.114 -24.973 0.919 1.00 0.00 H ATOM 53 HE2 TYR A 3 -6.070 -28.546 -1.244 1.00 0.00 H ATOM 54 HH TYR A 3 -4.262 -26.989 1.374 1.00 0.00 H ATOM 55 N GLU A 4 -5.975 -21.815 -3.608 1.00 0.00 N ATOM 56 CA GLU A 4 -4.870 -20.893 -3.211 1.00 0.00 C ATOM 57 C GLU A 4 -5.328 -19.941 -2.054 1.00 0.00 C ATOM 58 O GLU A 4 -4.829 -20.058 -0.931 1.00 0.00 O ATOM 59 CB GLU A 4 -4.325 -20.206 -4.496 1.00 0.00 C ATOM 60 CG GLU A 4 -2.985 -19.450 -4.318 1.00 0.00 C ATOM 61 CD GLU A 4 -2.490 -18.791 -5.595 1.00 0.00 C ATOM 62 OE1 GLU A 4 -1.797 -19.461 -6.388 1.00 0.00 O ATOM 63 OE2 GLU A 4 -2.786 -17.595 -5.801 1.00 0.00 O ATOM 64 H GLU A 4 -6.907 -21.471 -3.855 1.00 0.00 H ATOM 65 HA GLU A 4 -4.030 -21.479 -2.787 1.00 0.00 H ATOM 66 HB2 GLU A 4 -4.167 -20.974 -5.281 1.00 0.00 H ATOM 67 HB3 GLU A 4 -5.085 -19.523 -4.921 1.00 0.00 H ATOM 68 HG2 GLU A 4 -3.065 -18.662 -3.549 1.00 0.00 H ATOM 69 HG3 GLU A 4 -2.190 -20.136 -3.976 1.00 0.00 H ATOM 70 N ASN A 5 -6.294 -19.030 -2.296 1.00 0.00 N ATOM 71 CA ASN A 5 -6.858 -18.137 -1.241 1.00 0.00 C ATOM 72 C ASN A 5 -8.092 -18.804 -0.542 1.00 0.00 C ATOM 73 O ASN A 5 -9.100 -19.111 -1.188 1.00 0.00 O ATOM 74 CB ASN A 5 -7.241 -16.766 -1.867 1.00 0.00 C ATOM 75 CG ASN A 5 -6.069 -15.866 -2.281 1.00 0.00 C ATOM 76 OD1 ASN A 5 -5.509 -15.130 -1.477 1.00 0.00 O ATOM 77 ND2 ASN A 5 -5.666 -15.878 -3.530 1.00 0.00 N ATOM 78 H ASN A 5 -6.637 -19.035 -3.260 1.00 0.00 H ATOM 79 HA ASN A 5 -6.079 -17.933 -0.476 1.00 0.00 H ATOM 80 HB2 ASN A 5 -7.949 -16.899 -2.707 1.00 0.00 H ATOM 81 HB3 ASN A 5 -7.814 -16.181 -1.123 1.00 0.00 H ATOM 82 HD21 ASN A 5 -6.059 -16.600 -4.138 1.00 0.00 H ATOM 83 HD22 ASN A 5 -4.819 -15.326 -3.696 1.00 0.00 H ATOM 84 N LYS A 6 -8.022 -19.002 0.788 1.00 0.00 N ATOM 85 CA LYS A 6 -9.157 -19.545 1.593 1.00 0.00 C ATOM 86 C LYS A 6 -10.076 -18.377 2.123 1.00 0.00 C ATOM 87 O LYS A 6 -9.548 -17.521 2.847 1.00 0.00 O ATOM 88 CB LYS A 6 -8.601 -20.386 2.784 1.00 0.00 C ATOM 89 CG LYS A 6 -7.901 -21.720 2.412 1.00 0.00 C ATOM 90 CD LYS A 6 -7.295 -22.494 3.609 1.00 0.00 C ATOM 91 CE LYS A 6 -8.312 -23.328 4.416 1.00 0.00 C ATOM 92 NZ LYS A 6 -7.610 -24.081 5.495 1.00 0.00 N1+ ATOM 93 H LYS A 6 -7.155 -18.671 1.224 1.00 0.00 H ATOM 94 HA LYS A 6 -9.753 -20.235 0.966 1.00 0.00 H ATOM 95 HB2 LYS A 6 -7.911 -19.755 3.378 1.00 0.00 H ATOM 96 HB3 LYS A 6 -9.436 -20.611 3.477 1.00 0.00 H ATOM 97 HG2 LYS A 6 -8.589 -22.371 1.836 1.00 0.00 H ATOM 98 HG3 LYS A 6 -7.082 -21.496 1.700 1.00 0.00 H ATOM 99 HD2 LYS A 6 -6.510 -23.166 3.208 1.00 0.00 H ATOM 100 HD3 LYS A 6 -6.748 -21.787 4.266 1.00 0.00 H ATOM 101 HE2 LYS A 6 -9.107 -22.672 4.835 1.00 0.00 H ATOM 102 HE3 LYS A 6 -8.849 -24.029 3.737 1.00 0.00 H ATOM 103 HZ1 LYS A 6 -8.234 -24.672 6.062 1.00 0.00 H ATOM 104 HZ2 LYS A 6 -6.890 -24.716 5.126 1.00 0.00 H ATOM 105 HZ3 LYS A 6 -7.114 -23.467 6.153 1.00 0.00 H ATOM 106 N PRO A 7 -11.417 -18.288 1.854 1.00 0.00 N ATOM 107 CA PRO A 7 -12.262 -17.167 2.359 1.00 0.00 C ATOM 108 C PRO A 7 -12.585 -17.262 3.889 1.00 0.00 C ATOM 109 O PRO A 7 -13.426 -18.053 4.327 1.00 0.00 O ATOM 110 CB PRO A 7 -13.494 -17.245 1.434 1.00 0.00 C ATOM 111 CG PRO A 7 -13.594 -18.714 1.017 1.00 0.00 C ATOM 112 CD PRO A 7 -12.142 -19.190 0.933 1.00 0.00 C ATOM 113 HA PRO A 7 -11.762 -16.200 2.149 1.00 0.00 H ATOM 114 HB2 PRO A 7 -14.423 -16.877 1.912 1.00 0.00 H ATOM 115 HB3 PRO A 7 -13.336 -16.610 0.540 1.00 0.00 H ATOM 116 HG2 PRO A 7 -14.140 -19.287 1.792 1.00 0.00 H ATOM 117 HG3 PRO A 7 -14.146 -18.851 0.068 1.00 0.00 H ATOM 118 HD2 PRO A 7 -12.061 -20.255 1.226 1.00 0.00 H ATOM 119 HD3 PRO A 7 -11.752 -19.091 -0.100 1.00 0.00 H ATOM 120 N ARG A 8 -11.885 -16.445 4.694 1.00 0.00 N ATOM 121 CA ARG A 8 -12.040 -16.432 6.181 1.00 0.00 C ATOM 122 C ARG A 8 -13.173 -15.464 6.678 1.00 0.00 C ATOM 123 O ARG A 8 -14.090 -15.910 7.371 1.00 0.00 O ATOM 124 CB ARG A 8 -10.626 -16.166 6.784 1.00 0.00 C ATOM 125 CG ARG A 8 -10.474 -16.345 8.320 1.00 0.00 C ATOM 126 CD ARG A 8 -10.362 -17.799 8.832 1.00 0.00 C ATOM 127 NE ARG A 8 -9.007 -18.368 8.571 1.00 0.00 N ATOM 128 CZ ARG A 8 -8.637 -19.626 8.817 1.00 0.00 C ATOM 129 NH1 ARG A 8 -9.452 -20.547 9.271 1.00 0.00 N ATOM 130 NH2 ARG A 8 -7.397 -19.961 8.596 1.00 0.00 N ATOM 131 H ARG A 8 -11.110 -15.979 4.211 1.00 0.00 H ATOM 132 HA ARG A 8 -12.342 -17.445 6.514 1.00 0.00 H ATOM 133 HB2 ARG A 8 -9.876 -16.809 6.282 1.00 0.00 H ATOM 134 HB3 ARG A 8 -10.318 -15.135 6.521 1.00 0.00 H ATOM 135 HG2 ARG A 8 -9.597 -15.765 8.672 1.00 0.00 H ATOM 136 HG3 ARG A 8 -11.327 -15.853 8.828 1.00 0.00 H ATOM 137 HD2 ARG A 8 -10.557 -17.802 9.925 1.00 0.00 H ATOM 138 HD3 ARG A 8 -11.164 -18.420 8.382 1.00 0.00 H ATOM 139 HE ARG A 8 -8.250 -17.766 8.236 1.00 0.00 H ATOM 140 HH11 ARG A 8 -10.404 -20.214 9.441 1.00 0.00 H ATOM 141 HH12 ARG A 8 -9.088 -21.483 9.455 1.00 0.00 H ATOM 142 HH21 ARG A 8 -6.769 -19.222 8.272 1.00 0.00 H ATOM 143 HH22 ARG A 8 -7.124 -20.915 8.837 1.00 0.00 H ATOM 144 N ARG A 9 -13.116 -14.159 6.342 1.00 0.00 N ATOM 145 CA ARG A 9 -14.226 -13.198 6.609 1.00 0.00 C ATOM 146 C ARG A 9 -15.393 -13.303 5.549 1.00 0.00 C ATOM 147 O ARG A 9 -15.069 -13.315 4.357 1.00 0.00 O ATOM 148 CB ARG A 9 -13.647 -11.755 6.767 1.00 0.00 C ATOM 149 CG ARG A 9 -13.072 -10.980 5.541 1.00 0.00 C ATOM 150 CD ARG A 9 -11.638 -11.317 5.067 1.00 0.00 C ATOM 151 NE ARG A 9 -10.585 -10.826 6.007 1.00 0.00 N ATOM 152 CZ ARG A 9 -9.882 -9.695 5.880 1.00 0.00 C ATOM 153 NH1 ARG A 9 -10.052 -8.834 4.907 1.00 0.00 N ATOM 154 NH2 ARG A 9 -8.973 -9.427 6.775 1.00 0.00 N ATOM 155 H ARG A 9 -12.394 -13.960 5.647 1.00 0.00 H ATOM 156 HA ARG A 9 -14.633 -13.441 7.606 1.00 0.00 H ATOM 157 HB2 ARG A 9 -14.472 -11.136 7.170 1.00 0.00 H ATOM 158 HB3 ARG A 9 -12.903 -11.749 7.587 1.00 0.00 H ATOM 159 HG2 ARG A 9 -13.768 -11.096 4.690 1.00 0.00 H ATOM 160 HG3 ARG A 9 -13.118 -9.895 5.761 1.00 0.00 H ATOM 161 HD2 ARG A 9 -11.528 -12.409 4.934 1.00 0.00 H ATOM 162 HD3 ARG A 9 -11.487 -10.935 4.037 1.00 0.00 H ATOM 163 HE ARG A 9 -10.338 -11.368 6.840 1.00 0.00 H ATOM 164 HH11 ARG A 9 -10.787 -9.084 4.244 1.00 0.00 H ATOM 165 HH12 ARG A 9 -9.468 -7.995 4.888 1.00 0.00 H ATOM 166 HH21 ARG A 9 -8.844 -10.104 7.529 1.00 0.00 H ATOM 167 HH22 ARG A 9 -8.447 -8.558 6.657 1.00 0.00 H ATOM 168 N PRO A 10 -16.726 -13.354 5.871 1.00 0.00 N ATOM 169 CA PRO A 10 -17.802 -13.423 4.836 1.00 0.00 C ATOM 170 C PRO A 10 -17.941 -12.168 3.912 1.00 0.00 C ATOM 171 O PRO A 10 -18.232 -11.062 4.377 1.00 0.00 O ATOM 172 CB PRO A 10 -19.076 -13.693 5.665 1.00 0.00 C ATOM 173 CG PRO A 10 -18.573 -14.317 6.965 1.00 0.00 C ATOM 174 CD PRO A 10 -17.247 -13.603 7.232 1.00 0.00 C ATOM 175 HA PRO A 10 -17.613 -14.326 4.221 1.00 0.00 H ATOM 176 HB2 PRO A 10 -19.623 -12.756 5.893 1.00 0.00 H ATOM 177 HB3 PRO A 10 -19.792 -14.349 5.133 1.00 0.00 H ATOM 178 HG2 PRO A 10 -19.295 -14.210 7.797 1.00 0.00 H ATOM 179 HG3 PRO A 10 -18.401 -15.403 6.827 1.00 0.00 H ATOM 180 HD2 PRO A 10 -17.410 -12.644 7.763 1.00 0.00 H ATOM 181 HD3 PRO A 10 -16.598 -14.242 7.860 1.00 0.00 H ATOM 182 N TYR A 11 -17.728 -12.359 2.600 1.00 0.00 N ATOM 183 CA TYR A 11 -17.848 -11.273 1.577 1.00 0.00 C ATOM 184 C TYR A 11 -18.629 -11.700 0.291 1.00 0.00 C ATOM 185 O TYR A 11 -19.567 -11.000 -0.101 1.00 0.00 O ATOM 186 CB TYR A 11 -16.480 -10.568 1.308 1.00 0.00 C ATOM 187 CG TYR A 11 -15.323 -11.390 0.699 1.00 0.00 C ATOM 188 CD1 TYR A 11 -15.227 -11.579 -0.684 1.00 0.00 C ATOM 189 CD2 TYR A 11 -14.348 -11.950 1.531 1.00 0.00 C ATOM 190 CE1 TYR A 11 -14.201 -12.353 -1.221 1.00 0.00 C ATOM 191 CE2 TYR A 11 -13.319 -12.719 0.994 1.00 0.00 C ATOM 192 CZ TYR A 11 -13.247 -12.924 -0.380 1.00 0.00 C ATOM 193 OH TYR A 11 -12.237 -13.685 -0.899 1.00 0.00 O ATOM 194 H TYR A 11 -17.431 -13.310 2.364 1.00 0.00 H ATOM 195 HA TYR A 11 -18.494 -10.477 2.002 1.00 0.00 H ATOM 196 HB2 TYR A 11 -16.663 -9.685 0.667 1.00 0.00 H ATOM 197 HB3 TYR A 11 -16.143 -10.116 2.262 1.00 0.00 H ATOM 198 HD1 TYR A 11 -15.967 -11.147 -1.344 1.00 0.00 H ATOM 199 HD2 TYR A 11 -14.393 -11.791 2.595 1.00 0.00 H ATOM 200 HE1 TYR A 11 -14.154 -12.510 -2.289 1.00 0.00 H ATOM 201 HE2 TYR A 11 -12.573 -13.158 1.643 1.00 0.00 H ATOM 202 HH TYR A 11 -12.313 -13.693 -1.855 1.00 0.00 H ATOM 203 N ILE A 12 -18.265 -12.819 -0.371 1.00 0.00 N ATOM 204 CA ILE A 12 -18.981 -13.322 -1.582 1.00 0.00 C ATOM 205 C ILE A 12 -20.139 -14.289 -1.155 1.00 0.00 C ATOM 206 O ILE A 12 -19.936 -15.495 -0.985 1.00 0.00 O ATOM 207 CB ILE A 12 -17.949 -13.841 -2.652 1.00 0.00 C ATOM 208 CG1 ILE A 12 -18.608 -14.044 -4.049 1.00 0.00 C ATOM 209 CG2 ILE A 12 -17.131 -15.099 -2.250 1.00 0.00 C ATOM 210 CD1 ILE A 12 -17.646 -13.919 -5.245 1.00 0.00 C ATOM 211 H ILE A 12 -17.463 -13.312 0.032 1.00 0.00 H ATOM 212 HA ILE A 12 -19.459 -12.453 -2.079 1.00 0.00 H ATOM 213 HB ILE A 12 -17.213 -13.021 -2.775 1.00 0.00 H ATOM 214 HG12 ILE A 12 -19.132 -15.021 -4.085 1.00 0.00 H ATOM 215 HG13 ILE A 12 -19.413 -13.300 -4.203 1.00 0.00 H ATOM 216 HG21 ILE A 12 -16.617 -14.971 -1.280 1.00 0.00 H ATOM 217 HG22 ILE A 12 -16.347 -15.338 -2.991 1.00 0.00 H ATOM 218 HG23 ILE A 12 -17.769 -15.998 -2.162 1.00 0.00 H ATOM 219 HD11 ILE A 12 -17.154 -12.928 -5.275 1.00 0.00 H ATOM 220 HD12 ILE A 12 -16.848 -14.684 -5.225 1.00 0.00 H ATOM 221 HD13 ILE A 12 -18.183 -14.039 -6.204 1.00 0.00 H ATOM 222 N LEU A 13 -21.346 -13.726 -0.948 1.00 0.00 N ATOM 223 CA LEU A 13 -22.556 -14.499 -0.546 1.00 0.00 C ATOM 224 C LEU A 13 -23.316 -15.161 -1.738 1.00 0.00 C ATOM 225 O LEU A 13 -23.847 -16.282 -1.553 1.00 0.00 O ATOM 226 CB LEU A 13 -23.442 -13.648 0.419 1.00 0.00 C ATOM 227 CG LEU A 13 -24.101 -12.319 -0.063 1.00 0.00 C ATOM 228 CD1 LEU A 13 -25.357 -12.535 -0.928 1.00 0.00 C ATOM 229 CD2 LEU A 13 -24.505 -11.449 1.143 1.00 0.00 C ATOM 230 OXT LEU A 13 -23.391 -14.580 -2.849 1.00 0.00 O ATOM 231 H LEU A 13 -21.383 -12.712 -1.084 1.00 0.00 H ATOM 232 HA LEU A 13 -22.216 -15.346 0.083 1.00 0.00 H ATOM 233 HB2 LEU A 13 -24.229 -14.305 0.835 1.00 0.00 H ATOM 234 HB3 LEU A 13 -22.807 -13.423 1.298 1.00 0.00 H ATOM 235 HG LEU A 13 -23.361 -11.749 -0.657 1.00 0.00 H ATOM 236 HD11 LEU A 13 -26.139 -13.103 -0.391 1.00 0.00 H ATOM 237 HD12 LEU A 13 -25.131 -13.096 -1.851 1.00 0.00 H ATOM 238 HD13 LEU A 13 -25.806 -11.578 -1.253 1.00 0.00 H ATOM 239 HD21 LEU A 13 -25.256 -11.950 1.783 1.00 0.00 H ATOM 240 HD22 LEU A 13 -23.637 -11.212 1.786 1.00 0.00 H ATOM 241 HD23 LEU A 13 -24.938 -10.481 0.828 1.00 0.00 H TER 242 LEU A 13 ENDMDL MODEL 8 HETATM 1 N PCA A 1 4.525 -23.949 -5.944 1.00 0.00 N HETATM 2 CA PCA A 1 3.393 -23.404 -5.179 1.00 0.00 C HETATM 3 CB PCA A 1 2.650 -24.698 -4.781 1.00 0.00 C HETATM 4 CG PCA A 1 3.061 -25.730 -5.844 1.00 0.00 C HETATM 5 CD PCA A 1 4.397 -25.199 -6.312 1.00 0.00 C HETATM 6 OE PCA A 1 5.249 -25.832 -6.926 1.00 0.00 O HETATM 7 C PCA A 1 3.799 -22.488 -3.985 1.00 0.00 C HETATM 8 O PCA A 1 4.573 -22.891 -3.111 1.00 0.00 O HETATM 9 H1 PCA A 1 5.446 -23.526 -6.094 1.00 0.00 H HETATM 10 HA PCA A 1 2.756 -22.841 -5.892 1.00 0.00 H HETATM 11 HB2 PCA A 1 2.976 -25.049 -3.781 1.00 0.00 H HETATM 12 HB3 PCA A 1 1.554 -24.558 -4.723 1.00 0.00 H HETATM 13 HG2 PCA A 1 2.357 -25.758 -6.696 1.00 0.00 H HETATM 14 HG3 PCA A 1 3.152 -26.754 -5.438 1.00 0.00 H ATOM 15 N LEU A 2 3.274 -21.251 -3.962 1.00 0.00 N ATOM 16 CA LEU A 2 3.555 -20.260 -2.874 1.00 0.00 C ATOM 17 C LEU A 2 2.248 -19.580 -2.345 1.00 0.00 C ATOM 18 O LEU A 2 1.979 -19.652 -1.144 1.00 0.00 O ATOM 19 CB LEU A 2 4.632 -19.224 -3.325 1.00 0.00 C ATOM 20 CG LEU A 2 6.091 -19.742 -3.478 1.00 0.00 C ATOM 21 CD1 LEU A 2 6.939 -18.747 -4.288 1.00 0.00 C ATOM 22 CD2 LEU A 2 6.775 -19.996 -2.121 1.00 0.00 C ATOM 23 H LEU A 2 2.603 -21.063 -4.712 1.00 0.00 H ATOM 24 HA LEU A 2 3.959 -20.787 -1.987 1.00 0.00 H ATOM 25 HB2 LEU A 2 4.299 -18.772 -4.279 1.00 0.00 H ATOM 26 HB3 LEU A 2 4.645 -18.374 -2.615 1.00 0.00 H ATOM 27 HG LEU A 2 6.077 -20.697 -4.040 1.00 0.00 H ATOM 28 HD11 LEU A 2 7.970 -19.119 -4.441 1.00 0.00 H ATOM 29 HD12 LEU A 2 6.516 -18.576 -5.295 1.00 0.00 H ATOM 30 HD13 LEU A 2 7.017 -17.762 -3.792 1.00 0.00 H ATOM 31 HD21 LEU A 2 7.799 -20.393 -2.250 1.00 0.00 H ATOM 32 HD22 LEU A 2 6.229 -20.740 -1.513 1.00 0.00 H ATOM 33 HD23 LEU A 2 6.859 -19.074 -1.515 1.00 0.00 H ATOM 34 N TYR A 3 1.444 -18.913 -3.201 1.00 0.00 N ATOM 35 CA TYR A 3 0.145 -18.303 -2.791 1.00 0.00 C ATOM 36 C TYR A 3 -1.036 -19.334 -2.726 1.00 0.00 C ATOM 37 O TYR A 3 -1.175 -20.193 -3.604 1.00 0.00 O ATOM 38 CB TYR A 3 -0.158 -17.071 -3.702 1.00 0.00 C ATOM 39 CG TYR A 3 -0.554 -17.335 -5.172 1.00 0.00 C ATOM 40 CD1 TYR A 3 0.426 -17.454 -6.163 1.00 0.00 C ATOM 41 CD2 TYR A 3 -1.902 -17.499 -5.518 1.00 0.00 C ATOM 42 CE1 TYR A 3 0.066 -17.761 -7.474 1.00 0.00 C ATOM 43 CE2 TYR A 3 -2.259 -17.807 -6.829 1.00 0.00 C ATOM 44 CZ TYR A 3 -1.273 -17.943 -7.804 1.00 0.00 C ATOM 45 OH TYR A 3 -1.617 -18.266 -9.089 1.00 0.00 O ATOM 46 H TYR A 3 1.727 -18.956 -4.183 1.00 0.00 H ATOM 47 HA TYR A 3 0.283 -17.888 -1.771 1.00 0.00 H ATOM 48 HB2 TYR A 3 -0.963 -16.481 -3.221 1.00 0.00 H ATOM 49 HB3 TYR A 3 0.705 -16.377 -3.674 1.00 0.00 H ATOM 50 HD1 TYR A 3 1.471 -17.321 -5.919 1.00 0.00 H ATOM 51 HD2 TYR A 3 -2.675 -17.414 -4.766 1.00 0.00 H ATOM 52 HE1 TYR A 3 0.825 -17.867 -8.236 1.00 0.00 H ATOM 53 HE2 TYR A 3 -3.300 -17.948 -7.077 1.00 0.00 H ATOM 54 HH TYR A 3 -2.567 -18.387 -9.134 1.00 0.00 H ATOM 55 N GLU A 4 -1.912 -19.202 -1.714 1.00 0.00 N ATOM 56 CA GLU A 4 -3.151 -20.023 -1.599 1.00 0.00 C ATOM 57 C GLU A 4 -4.345 -19.151 -1.091 1.00 0.00 C ATOM 58 O GLU A 4 -4.332 -18.623 0.026 1.00 0.00 O ATOM 59 CB GLU A 4 -2.923 -21.325 -0.780 1.00 0.00 C ATOM 60 CG GLU A 4 -2.477 -21.208 0.701 1.00 0.00 C ATOM 61 CD GLU A 4 -2.370 -22.556 1.396 1.00 0.00 C ATOM 62 OE1 GLU A 4 -1.331 -23.231 1.243 1.00 0.00 O ATOM 63 OE2 GLU A 4 -3.332 -22.947 2.092 1.00 0.00 O ATOM 64 H GLU A 4 -1.679 -18.490 -1.015 1.00 0.00 H ATOM 65 HA GLU A 4 -3.422 -20.383 -2.613 1.00 0.00 H ATOM 66 HB2 GLU A 4 -3.852 -21.925 -0.818 1.00 0.00 H ATOM 67 HB3 GLU A 4 -2.176 -21.945 -1.316 1.00 0.00 H ATOM 68 HG2 GLU A 4 -1.492 -20.715 0.776 1.00 0.00 H ATOM 69 HG3 GLU A 4 -3.176 -20.586 1.286 1.00 0.00 H ATOM 70 N ASN A 5 -5.391 -18.998 -1.924 1.00 0.00 N ATOM 71 CA ASN A 5 -6.601 -18.200 -1.573 1.00 0.00 C ATOM 72 C ASN A 5 -7.705 -19.114 -0.943 1.00 0.00 C ATOM 73 O ASN A 5 -8.158 -20.091 -1.552 1.00 0.00 O ATOM 74 CB ASN A 5 -7.129 -17.454 -2.831 1.00 0.00 C ATOM 75 CG ASN A 5 -6.234 -16.326 -3.364 1.00 0.00 C ATOM 76 OD1 ASN A 5 -5.362 -16.530 -4.202 1.00 0.00 O ATOM 77 ND2 ASN A 5 -6.420 -15.105 -2.916 1.00 0.00 N ATOM 78 H ASN A 5 -5.262 -19.412 -2.852 1.00 0.00 H ATOM 79 HA ASN A 5 -6.321 -17.417 -0.836 1.00 0.00 H ATOM 80 HB2 ASN A 5 -7.296 -18.173 -3.655 1.00 0.00 H ATOM 81 HB3 ASN A 5 -8.135 -17.041 -2.627 1.00 0.00 H ATOM 82 HD21 ASN A 5 -7.172 -14.958 -2.238 1.00 0.00 H ATOM 83 HD22 ASN A 5 -5.810 -14.406 -3.347 1.00 0.00 H ATOM 84 N LYS A 6 -8.134 -18.782 0.285 1.00 0.00 N ATOM 85 CA LYS A 6 -9.184 -19.533 1.034 1.00 0.00 C ATOM 86 C LYS A 6 -10.108 -18.486 1.765 1.00 0.00 C ATOM 87 O LYS A 6 -9.575 -17.750 2.607 1.00 0.00 O ATOM 88 CB LYS A 6 -8.521 -20.499 2.065 1.00 0.00 C ATOM 89 CG LYS A 6 -7.767 -21.741 1.520 1.00 0.00 C ATOM 90 CD LYS A 6 -8.689 -22.914 1.110 1.00 0.00 C ATOM 91 CE LYS A 6 -7.941 -24.192 0.672 1.00 0.00 C ATOM 92 NZ LYS A 6 -7.424 -24.066 -0.719 1.00 0.00 N1+ ATOM 93 H LYS A 6 -7.645 -17.989 0.716 1.00 0.00 H ATOM 94 HA LYS A 6 -9.790 -20.148 0.344 1.00 0.00 H ATOM 95 HB2 LYS A 6 -7.816 -19.911 2.687 1.00 0.00 H ATOM 96 HB3 LYS A 6 -9.284 -20.841 2.791 1.00 0.00 H ATOM 97 HG2 LYS A 6 -7.104 -21.443 0.685 1.00 0.00 H ATOM 98 HG3 LYS A 6 -7.071 -22.092 2.309 1.00 0.00 H ATOM 99 HD2 LYS A 6 -9.322 -23.172 1.984 1.00 0.00 H ATOM 100 HD3 LYS A 6 -9.413 -22.590 0.336 1.00 0.00 H ATOM 101 HE2 LYS A 6 -7.118 -24.422 1.387 1.00 0.00 H ATOM 102 HE3 LYS A 6 -8.626 -25.065 0.752 1.00 0.00 H ATOM 103 HZ1 LYS A 6 -6.760 -23.286 -0.814 1.00 0.00 H ATOM 104 HZ2 LYS A 6 -6.929 -24.904 -1.053 1.00 0.00 H ATOM 105 HZ3 LYS A 6 -8.169 -23.875 -1.402 1.00 0.00 H ATOM 106 N PRO A 7 -11.453 -18.358 1.533 1.00 0.00 N ATOM 107 CA PRO A 7 -12.301 -17.353 2.242 1.00 0.00 C ATOM 108 C PRO A 7 -12.439 -17.528 3.791 1.00 0.00 C ATOM 109 O PRO A 7 -12.650 -18.637 4.289 1.00 0.00 O ATOM 110 CB PRO A 7 -13.659 -17.468 1.520 1.00 0.00 C ATOM 111 CG PRO A 7 -13.331 -18.073 0.156 1.00 0.00 C ATOM 112 CD PRO A 7 -12.180 -19.038 0.440 1.00 0.00 C ATOM 113 HA PRO A 7 -11.877 -16.354 2.014 1.00 0.00 H ATOM 114 HB2 PRO A 7 -14.353 -18.142 2.063 1.00 0.00 H ATOM 115 HB3 PRO A 7 -14.175 -16.492 1.434 1.00 0.00 H ATOM 116 HG2 PRO A 7 -14.204 -18.570 -0.309 1.00 0.00 H ATOM 117 HG3 PRO A 7 -12.999 -17.280 -0.542 1.00 0.00 H ATOM 118 HD2 PRO A 7 -12.559 -20.020 0.785 1.00 0.00 H ATOM 119 HD3 PRO A 7 -11.581 -19.200 -0.476 1.00 0.00 H ATOM 120 N ARG A 8 -12.325 -16.414 4.536 1.00 0.00 N ATOM 121 CA ARG A 8 -12.442 -16.411 6.027 1.00 0.00 C ATOM 122 C ARG A 8 -13.517 -15.394 6.541 1.00 0.00 C ATOM 123 O ARG A 8 -14.469 -15.811 7.204 1.00 0.00 O ATOM 124 CB ARG A 8 -11.018 -16.234 6.634 1.00 0.00 C ATOM 125 CG ARG A 8 -10.919 -16.520 8.156 1.00 0.00 C ATOM 126 CD ARG A 8 -9.502 -16.355 8.751 1.00 0.00 C ATOM 127 NE ARG A 8 -9.117 -14.923 8.934 1.00 0.00 N ATOM 128 CZ ARG A 8 -9.252 -14.213 10.058 1.00 0.00 C ATOM 129 NH1 ARG A 8 -9.788 -14.682 11.158 1.00 0.00 N ATOM 130 NH2 ARG A 8 -8.829 -12.982 10.065 1.00 0.00 N ATOM 131 H ARG A 8 -12.153 -15.569 3.989 1.00 0.00 H ATOM 132 HA ARG A 8 -12.808 -17.402 6.367 1.00 0.00 H ATOM 133 HB2 ARG A 8 -10.320 -16.923 6.114 1.00 0.00 H ATOM 134 HB3 ARG A 8 -10.637 -15.221 6.408 1.00 0.00 H ATOM 135 HG2 ARG A 8 -11.644 -15.898 8.717 1.00 0.00 H ATOM 136 HG3 ARG A 8 -11.250 -17.562 8.335 1.00 0.00 H ATOM 137 HD2 ARG A 8 -9.415 -16.930 9.695 1.00 0.00 H ATOM 138 HD3 ARG A 8 -8.762 -16.851 8.089 1.00 0.00 H ATOM 139 HE ARG A 8 -8.677 -14.409 8.166 1.00 0.00 H ATOM 140 HH11 ARG A 8 -10.100 -15.653 11.091 1.00 0.00 H ATOM 141 HH12 ARG A 8 -9.838 -14.076 11.978 1.00 0.00 H ATOM 142 HH21 ARG A 8 -8.379 -12.645 9.214 1.00 0.00 H ATOM 143 HH22 ARG A 8 -8.930 -12.462 10.940 1.00 0.00 H ATOM 144 N ARG A 9 -13.386 -14.080 6.259 1.00 0.00 N ATOM 145 CA ARG A 9 -14.441 -13.069 6.583 1.00 0.00 C ATOM 146 C ARG A 9 -15.730 -13.155 5.668 1.00 0.00 C ATOM 147 O ARG A 9 -15.617 -13.663 4.546 1.00 0.00 O ATOM 148 CB ARG A 9 -13.756 -11.666 6.626 1.00 0.00 C ATOM 149 CG ARG A 9 -13.290 -11.031 5.285 1.00 0.00 C ATOM 150 CD ARG A 9 -12.511 -9.703 5.408 1.00 0.00 C ATOM 151 NE ARG A 9 -11.114 -9.886 5.906 1.00 0.00 N ATOM 152 CZ ARG A 9 -10.012 -9.947 5.153 1.00 0.00 C ATOM 153 NH1 ARG A 9 -10.019 -9.923 3.843 1.00 0.00 N ATOM 154 NH2 ARG A 9 -8.860 -10.037 5.753 1.00 0.00 N ATOM 155 H ARG A 9 -12.588 -13.858 5.660 1.00 0.00 H ATOM 156 HA ARG A 9 -14.777 -13.280 7.617 1.00 0.00 H ATOM 157 HB2 ARG A 9 -14.452 -10.955 7.111 1.00 0.00 H ATOM 158 HB3 ARG A 9 -12.900 -11.714 7.327 1.00 0.00 H ATOM 159 HG2 ARG A 9 -12.707 -11.757 4.686 1.00 0.00 H ATOM 160 HG3 ARG A 9 -14.194 -10.826 4.682 1.00 0.00 H ATOM 161 HD2 ARG A 9 -12.539 -9.157 4.443 1.00 0.00 H ATOM 162 HD3 ARG A 9 -13.056 -9.021 6.093 1.00 0.00 H ATOM 163 HE ARG A 9 -10.928 -9.902 6.913 1.00 0.00 H ATOM 164 HH11 ARG A 9 -10.947 -9.837 3.425 1.00 0.00 H ATOM 165 HH12 ARG A 9 -9.124 -9.951 3.349 1.00 0.00 H ATOM 166 HH21 ARG A 9 -8.866 -10.005 6.774 1.00 0.00 H ATOM 167 HH22 ARG A 9 -8.027 -10.068 5.160 1.00 0.00 H ATOM 168 N PRO A 10 -16.958 -12.684 6.054 1.00 0.00 N ATOM 169 CA PRO A 10 -18.163 -12.782 5.179 1.00 0.00 C ATOM 170 C PRO A 10 -18.211 -11.689 4.057 1.00 0.00 C ATOM 171 O PRO A 10 -18.571 -10.533 4.300 1.00 0.00 O ATOM 172 CB PRO A 10 -19.310 -12.713 6.207 1.00 0.00 C ATOM 173 CG PRO A 10 -18.766 -11.880 7.369 1.00 0.00 C ATOM 174 CD PRO A 10 -17.274 -12.219 7.422 1.00 0.00 C ATOM 175 HA PRO A 10 -18.212 -13.785 4.707 1.00 0.00 H ATOM 176 HB2 PRO A 10 -20.248 -12.297 5.790 1.00 0.00 H ATOM 177 HB3 PRO A 10 -19.559 -13.733 6.563 1.00 0.00 H ATOM 178 HG2 PRO A 10 -18.907 -10.802 7.156 1.00 0.00 H ATOM 179 HG3 PRO A 10 -19.286 -12.090 8.323 1.00 0.00 H ATOM 180 HD2 PRO A 10 -16.680 -11.334 7.719 1.00 0.00 H ATOM 181 HD3 PRO A 10 -17.087 -13.021 8.163 1.00 0.00 H ATOM 182 N TYR A 11 -17.829 -12.073 2.825 1.00 0.00 N ATOM 183 CA TYR A 11 -17.821 -11.159 1.640 1.00 0.00 C ATOM 184 C TYR A 11 -18.383 -11.830 0.344 1.00 0.00 C ATOM 185 O TYR A 11 -19.391 -11.357 -0.187 1.00 0.00 O ATOM 186 CB TYR A 11 -16.455 -10.416 1.478 1.00 0.00 C ATOM 187 CG TYR A 11 -15.208 -11.220 1.050 1.00 0.00 C ATOM 188 CD1 TYR A 11 -14.516 -11.992 1.984 1.00 0.00 C ATOM 189 CD2 TYR A 11 -14.747 -11.179 -0.271 1.00 0.00 C ATOM 190 CE1 TYR A 11 -13.387 -12.718 1.615 1.00 0.00 C ATOM 191 CE2 TYR A 11 -13.620 -11.909 -0.646 1.00 0.00 C ATOM 192 CZ TYR A 11 -12.939 -12.675 0.296 1.00 0.00 C ATOM 193 OH TYR A 11 -11.827 -13.379 -0.077 1.00 0.00 O ATOM 194 H TYR A 11 -17.478 -13.037 2.786 1.00 0.00 H ATOM 195 HA TYR A 11 -18.554 -10.350 1.838 1.00 0.00 H ATOM 196 HB2 TYR A 11 -16.608 -9.580 0.769 1.00 0.00 H ATOM 197 HB3 TYR A 11 -16.231 -9.895 2.429 1.00 0.00 H ATOM 198 HD1 TYR A 11 -14.870 -12.033 2.998 1.00 0.00 H ATOM 199 HD2 TYR A 11 -15.272 -10.595 -1.012 1.00 0.00 H ATOM 200 HE1 TYR A 11 -12.871 -13.313 2.352 1.00 0.00 H ATOM 201 HE2 TYR A 11 -13.275 -11.888 -1.670 1.00 0.00 H ATOM 202 HH TYR A 11 -11.458 -13.819 0.690 1.00 0.00 H ATOM 203 N ILE A 12 -17.764 -12.916 -0.164 1.00 0.00 N ATOM 204 CA ILE A 12 -18.313 -13.705 -1.311 1.00 0.00 C ATOM 205 C ILE A 12 -19.265 -14.832 -0.782 1.00 0.00 C ATOM 206 O ILE A 12 -18.841 -15.720 -0.034 1.00 0.00 O ATOM 207 CB ILE A 12 -17.208 -14.239 -2.296 1.00 0.00 C ATOM 208 CG1 ILE A 12 -16.084 -15.118 -1.667 1.00 0.00 C ATOM 209 CG2 ILE A 12 -16.589 -13.097 -3.143 1.00 0.00 C ATOM 210 CD1 ILE A 12 -15.442 -16.116 -2.648 1.00 0.00 C ATOM 211 H ILE A 12 -16.934 -13.218 0.354 1.00 0.00 H ATOM 212 HA ILE A 12 -18.931 -13.024 -1.932 1.00 0.00 H ATOM 213 HB ILE A 12 -17.752 -14.880 -3.019 1.00 0.00 H ATOM 214 HG12 ILE A 12 -15.303 -14.480 -1.209 1.00 0.00 H ATOM 215 HG13 ILE A 12 -16.490 -15.705 -0.822 1.00 0.00 H ATOM 216 HG21 ILE A 12 -16.015 -12.388 -2.520 1.00 0.00 H ATOM 217 HG22 ILE A 12 -15.897 -13.478 -3.916 1.00 0.00 H ATOM 218 HG23 ILE A 12 -17.359 -12.508 -3.674 1.00 0.00 H ATOM 219 HD11 ILE A 12 -14.941 -15.611 -3.494 1.00 0.00 H ATOM 220 HD12 ILE A 12 -14.682 -16.741 -2.149 1.00 0.00 H ATOM 221 HD13 ILE A 12 -16.195 -16.807 -3.073 1.00 0.00 H ATOM 222 N LEU A 13 -20.551 -14.772 -1.169 1.00 0.00 N ATOM 223 CA LEU A 13 -21.572 -15.787 -0.789 1.00 0.00 C ATOM 224 C LEU A 13 -21.635 -16.948 -1.829 1.00 0.00 C ATOM 225 O LEU A 13 -21.404 -18.117 -1.442 1.00 0.00 O ATOM 226 CB LEU A 13 -22.926 -15.035 -0.621 1.00 0.00 C ATOM 227 CG LEU A 13 -24.085 -15.832 0.038 1.00 0.00 C ATOM 228 CD1 LEU A 13 -23.909 -15.970 1.562 1.00 0.00 C ATOM 229 CD2 LEU A 13 -25.436 -15.155 -0.252 1.00 0.00 C ATOM 230 OXT LEU A 13 -21.923 -16.701 -3.027 1.00 0.00 O ATOM 231 H LEU A 13 -20.795 -13.997 -1.789 1.00 0.00 H ATOM 232 HA LEU A 13 -21.306 -16.222 0.195 1.00 0.00 H ATOM 233 HB2 LEU A 13 -22.777 -14.100 -0.044 1.00 0.00 H ATOM 234 HB3 LEU A 13 -23.244 -14.690 -1.626 1.00 0.00 H ATOM 235 HG LEU A 13 -24.114 -16.847 -0.407 1.00 0.00 H ATOM 236 HD11 LEU A 13 -22.966 -16.486 1.820 1.00 0.00 H ATOM 237 HD12 LEU A 13 -23.892 -14.987 2.068 1.00 0.00 H ATOM 238 HD13 LEU A 13 -24.727 -16.559 2.017 1.00 0.00 H ATOM 239 HD21 LEU A 13 -25.481 -14.126 0.150 1.00 0.00 H ATOM 240 HD22 LEU A 13 -25.628 -15.090 -1.339 1.00 0.00 H ATOM 241 HD23 LEU A 13 -26.281 -15.718 0.186 1.00 0.00 H TER 242 LEU A 13 ENDMDL MODEL 9 HETATM 1 N PCA A 1 -6.002 -24.660 -10.241 1.00 0.00 N HETATM 2 CA PCA A 1 -6.107 -23.582 -11.242 1.00 0.00 C HETATM 3 CB PCA A 1 -6.259 -24.395 -12.550 1.00 0.00 C HETATM 4 CG PCA A 1 -6.733 -25.793 -12.120 1.00 0.00 C HETATM 5 CD PCA A 1 -6.312 -25.859 -10.669 1.00 0.00 C HETATM 6 OE PCA A 1 -6.272 -26.873 -9.981 1.00 0.00 O HETATM 7 C PCA A 1 -7.209 -22.507 -10.963 1.00 0.00 C HETATM 8 O PCA A 1 -6.886 -21.319 -10.916 1.00 0.00 O HETATM 9 H1 PCA A 1 -5.664 -24.588 -9.275 1.00 0.00 H HETATM 10 HA PCA A 1 -5.141 -23.040 -11.274 1.00 0.00 H HETATM 11 HB2 PCA A 1 -5.273 -24.478 -13.049 1.00 0.00 H HETATM 12 HB3 PCA A 1 -6.936 -23.924 -13.289 1.00 0.00 H HETATM 13 HG2 PCA A 1 -6.272 -26.606 -12.711 1.00 0.00 H HETATM 14 HG3 PCA A 1 -7.830 -25.901 -12.190 1.00 0.00 H ATOM 15 N LEU A 2 -8.488 -22.899 -10.789 1.00 0.00 N ATOM 16 CA LEU A 2 -9.596 -21.948 -10.469 1.00 0.00 C ATOM 17 C LEU A 2 -9.692 -21.567 -8.949 1.00 0.00 C ATOM 18 O LEU A 2 -9.719 -20.377 -8.629 1.00 0.00 O ATOM 19 CB LEU A 2 -10.913 -22.535 -11.060 1.00 0.00 C ATOM 20 CG LEU A 2 -12.134 -21.574 -11.121 1.00 0.00 C ATOM 21 CD1 LEU A 2 -12.009 -20.533 -12.250 1.00 0.00 C ATOM 22 CD2 LEU A 2 -13.436 -22.369 -11.320 1.00 0.00 C ATOM 23 H LEU A 2 -8.617 -23.914 -10.847 1.00 0.00 H ATOM 24 HA LEU A 2 -9.398 -20.999 -11.007 1.00 0.00 H ATOM 25 HB2 LEU A 2 -10.732 -22.922 -12.083 1.00 0.00 H ATOM 26 HB3 LEU A 2 -11.183 -23.434 -10.473 1.00 0.00 H ATOM 27 HG LEU A 2 -12.220 -21.034 -10.156 1.00 0.00 H ATOM 28 HD11 LEU A 2 -11.958 -21.005 -13.249 1.00 0.00 H ATOM 29 HD12 LEU A 2 -12.873 -19.842 -12.264 1.00 0.00 H ATOM 30 HD13 LEU A 2 -11.108 -19.903 -12.141 1.00 0.00 H ATOM 31 HD21 LEU A 2 -14.322 -21.706 -11.334 1.00 0.00 H ATOM 32 HD22 LEU A 2 -13.601 -23.096 -10.503 1.00 0.00 H ATOM 33 HD23 LEU A 2 -13.439 -22.937 -12.270 1.00 0.00 H ATOM 34 N TYR A 3 -9.762 -22.548 -8.024 1.00 0.00 N ATOM 35 CA TYR A 3 -9.755 -22.281 -6.558 1.00 0.00 C ATOM 36 C TYR A 3 -8.295 -22.269 -5.996 1.00 0.00 C ATOM 37 O TYR A 3 -7.567 -23.261 -6.110 1.00 0.00 O ATOM 38 CB TYR A 3 -10.654 -23.348 -5.869 1.00 0.00 C ATOM 39 CG TYR A 3 -10.950 -23.082 -4.380 1.00 0.00 C ATOM 40 CD1 TYR A 3 -12.053 -22.307 -4.008 1.00 0.00 C ATOM 41 CD2 TYR A 3 -10.112 -23.603 -3.385 1.00 0.00 C ATOM 42 CE1 TYR A 3 -12.321 -22.063 -2.663 1.00 0.00 C ATOM 43 CE2 TYR A 3 -10.378 -23.352 -2.041 1.00 0.00 C ATOM 44 CZ TYR A 3 -11.486 -22.590 -1.680 1.00 0.00 C ATOM 45 OH TYR A 3 -11.779 -22.381 -0.361 1.00 0.00 O ATOM 46 H TYR A 3 -9.604 -23.486 -8.402 1.00 0.00 H ATOM 47 HA TYR A 3 -10.233 -21.296 -6.369 1.00 0.00 H ATOM 48 HB2 TYR A 3 -11.618 -23.426 -6.410 1.00 0.00 H ATOM 49 HB3 TYR A 3 -10.201 -24.352 -5.989 1.00 0.00 H ATOM 50 HD1 TYR A 3 -12.709 -21.892 -4.761 1.00 0.00 H ATOM 51 HD2 TYR A 3 -9.247 -24.192 -3.656 1.00 0.00 H ATOM 52 HE1 TYR A 3 -13.179 -21.468 -2.389 1.00 0.00 H ATOM 53 HE2 TYR A 3 -9.725 -23.752 -1.279 1.00 0.00 H ATOM 54 HH TYR A 3 -12.621 -21.923 -0.315 1.00 0.00 H ATOM 55 N GLU A 4 -7.905 -21.153 -5.358 1.00 0.00 N ATOM 56 CA GLU A 4 -6.561 -20.996 -4.730 1.00 0.00 C ATOM 57 C GLU A 4 -6.681 -20.399 -3.286 1.00 0.00 C ATOM 58 O GLU A 4 -6.335 -21.082 -2.317 1.00 0.00 O ATOM 59 CB GLU A 4 -5.646 -20.220 -5.721 1.00 0.00 C ATOM 60 CG GLU A 4 -4.136 -20.245 -5.378 1.00 0.00 C ATOM 61 CD GLU A 4 -3.271 -19.487 -6.373 1.00 0.00 C ATOM 62 OE1 GLU A 4 -3.230 -18.241 -6.304 1.00 0.00 O ATOM 63 OE2 GLU A 4 -2.617 -20.136 -7.216 1.00 0.00 O ATOM 64 H GLU A 4 -8.594 -20.396 -5.360 1.00 0.00 H ATOM 65 HA GLU A 4 -6.101 -21.996 -4.592 1.00 0.00 H ATOM 66 HB2 GLU A 4 -5.761 -20.650 -6.737 1.00 0.00 H ATOM 67 HB3 GLU A 4 -5.989 -19.172 -5.819 1.00 0.00 H ATOM 68 HG2 GLU A 4 -3.943 -19.809 -4.383 1.00 0.00 H ATOM 69 HG3 GLU A 4 -3.760 -21.283 -5.339 1.00 0.00 H ATOM 70 N ASN A 5 -7.190 -19.159 -3.115 1.00 0.00 N ATOM 71 CA ASN A 5 -7.412 -18.551 -1.771 1.00 0.00 C ATOM 72 C ASN A 5 -8.726 -19.037 -1.062 1.00 0.00 C ATOM 73 O ASN A 5 -9.810 -19.059 -1.655 1.00 0.00 O ATOM 74 CB ASN A 5 -7.296 -17.000 -1.867 1.00 0.00 C ATOM 75 CG ASN A 5 -8.339 -16.234 -2.697 1.00 0.00 C ATOM 76 OD1 ASN A 5 -8.166 -15.986 -3.884 1.00 0.00 O ATOM 77 ND2 ASN A 5 -9.439 -15.823 -2.112 1.00 0.00 N ATOM 78 H ASN A 5 -7.401 -18.659 -3.985 1.00 0.00 H ATOM 79 HA ASN A 5 -6.555 -18.855 -1.135 1.00 0.00 H ATOM 80 HB2 ASN A 5 -7.261 -16.572 -0.848 1.00 0.00 H ATOM 81 HB3 ASN A 5 -6.304 -16.745 -2.288 1.00 0.00 H ATOM 82 HD21 ASN A 5 -9.629 -16.213 -1.185 1.00 0.00 H ATOM 83 HD22 ASN A 5 -10.105 -15.407 -2.767 1.00 0.00 H ATOM 84 N LYS A 6 -8.631 -19.372 0.238 1.00 0.00 N ATOM 85 CA LYS A 6 -9.812 -19.734 1.076 1.00 0.00 C ATOM 86 C LYS A 6 -10.448 -18.451 1.740 1.00 0.00 C ATOM 87 O LYS A 6 -9.716 -17.761 2.462 1.00 0.00 O ATOM 88 CB LYS A 6 -9.367 -20.755 2.167 1.00 0.00 C ATOM 89 CG LYS A 6 -8.988 -22.177 1.678 1.00 0.00 C ATOM 90 CD LYS A 6 -8.535 -23.095 2.838 1.00 0.00 C ATOM 91 CE LYS A 6 -8.137 -24.528 2.424 1.00 0.00 C ATOM 92 NZ LYS A 6 -9.332 -25.386 2.182 1.00 0.00 N1+ ATOM 93 H LYS A 6 -7.694 -19.278 0.640 1.00 0.00 H ATOM 94 HA LYS A 6 -10.564 -20.242 0.444 1.00 0.00 H ATOM 95 HB2 LYS A 6 -8.530 -20.322 2.750 1.00 0.00 H ATOM 96 HB3 LYS A 6 -10.187 -20.858 2.905 1.00 0.00 H ATOM 97 HG2 LYS A 6 -9.850 -22.625 1.151 1.00 0.00 H ATOM 98 HG3 LYS A 6 -8.186 -22.107 0.915 1.00 0.00 H ATOM 99 HD2 LYS A 6 -7.659 -22.622 3.325 1.00 0.00 H ATOM 100 HD3 LYS A 6 -9.305 -23.118 3.636 1.00 0.00 H ATOM 101 HE2 LYS A 6 -7.469 -24.501 1.533 1.00 0.00 H ATOM 102 HE3 LYS A 6 -7.504 -24.973 3.225 1.00 0.00 H ATOM 103 HZ1 LYS A 6 -9.098 -26.353 1.917 1.00 0.00 H ATOM 104 HZ2 LYS A 6 -9.935 -25.021 1.433 1.00 0.00 H ATOM 105 HZ3 LYS A 6 -9.937 -25.460 3.010 1.00 0.00 H ATOM 106 N PRO A 7 -11.758 -18.082 1.576 1.00 0.00 N ATOM 107 CA PRO A 7 -12.334 -16.862 2.215 1.00 0.00 C ATOM 108 C PRO A 7 -12.575 -16.996 3.757 1.00 0.00 C ATOM 109 O PRO A 7 -13.302 -17.882 4.217 1.00 0.00 O ATOM 110 CB PRO A 7 -13.626 -16.645 1.402 1.00 0.00 C ATOM 111 CG PRO A 7 -14.032 -18.034 0.906 1.00 0.00 C ATOM 112 CD PRO A 7 -12.707 -18.763 0.669 1.00 0.00 C ATOM 113 HA PRO A 7 -11.667 -15.999 2.016 1.00 0.00 H ATOM 114 HB2 PRO A 7 -14.433 -16.153 1.982 1.00 0.00 H ATOM 115 HB3 PRO A 7 -13.423 -15.981 0.539 1.00 0.00 H ATOM 116 HG2 PRO A 7 -14.618 -18.554 1.690 1.00 0.00 H ATOM 117 HG3 PRO A 7 -14.671 -17.995 0.003 1.00 0.00 H ATOM 118 HD2 PRO A 7 -12.808 -19.841 0.895 1.00 0.00 H ATOM 119 HD3 PRO A 7 -12.380 -18.662 -0.386 1.00 0.00 H ATOM 120 N ARG A 8 -11.956 -16.099 4.547 1.00 0.00 N ATOM 121 CA ARG A 8 -12.058 -16.118 6.037 1.00 0.00 C ATOM 122 C ARG A 8 -13.256 -15.269 6.592 1.00 0.00 C ATOM 123 O ARG A 8 -14.129 -15.831 7.258 1.00 0.00 O ATOM 124 CB ARG A 8 -10.654 -15.755 6.608 1.00 0.00 C ATOM 125 CG ARG A 8 -10.478 -15.997 8.129 1.00 0.00 C ATOM 126 CD ARG A 8 -9.066 -15.636 8.633 1.00 0.00 C ATOM 127 NE ARG A 8 -8.989 -15.893 10.097 1.00 0.00 N ATOM 128 CZ ARG A 8 -7.874 -15.898 10.831 1.00 0.00 C ATOM 129 NH1 ARG A 8 -6.676 -15.699 10.338 1.00 0.00 N ATOM 130 NH2 ARG A 8 -7.979 -16.113 12.111 1.00 0.00 N ATOM 131 H ARG A 8 -11.294 -15.499 4.045 1.00 0.00 H ATOM 132 HA ARG A 8 -12.258 -17.160 6.363 1.00 0.00 H ATOM 133 HB2 ARG A 8 -9.884 -16.354 6.079 1.00 0.00 H ATOM 134 HB3 ARG A 8 -10.413 -14.702 6.365 1.00 0.00 H ATOM 135 HG2 ARG A 8 -11.241 -15.416 8.685 1.00 0.00 H ATOM 136 HG3 ARG A 8 -10.693 -17.061 8.354 1.00 0.00 H ATOM 137 HD2 ARG A 8 -8.312 -16.232 8.077 1.00 0.00 H ATOM 138 HD3 ARG A 8 -8.847 -14.569 8.417 1.00 0.00 H ATOM 139 HE ARG A 8 -9.843 -16.057 10.639 1.00 0.00 H ATOM 140 HH11 ARG A 8 -6.656 -15.532 9.330 1.00 0.00 H ATOM 141 HH12 ARG A 8 -5.876 -15.729 10.973 1.00 0.00 H ATOM 142 HH21 ARG A 8 -8.920 -16.260 12.481 1.00 0.00 H ATOM 143 HH22 ARG A 8 -7.116 -16.115 12.657 1.00 0.00 H ATOM 144 N ARG A 9 -13.313 -13.942 6.345 1.00 0.00 N ATOM 145 CA ARG A 9 -14.499 -13.100 6.704 1.00 0.00 C ATOM 146 C ARG A 9 -15.725 -13.272 5.717 1.00 0.00 C ATOM 147 O ARG A 9 -15.500 -13.654 4.562 1.00 0.00 O ATOM 148 CB ARG A 9 -14.019 -11.628 6.916 1.00 0.00 C ATOM 149 CG ARG A 9 -13.614 -10.789 5.670 1.00 0.00 C ATOM 150 CD ARG A 9 -12.888 -9.458 5.969 1.00 0.00 C ATOM 151 NE ARG A 9 -13.826 -8.401 6.448 1.00 0.00 N ATOM 152 CZ ARG A 9 -13.471 -7.172 6.834 1.00 0.00 C ATOM 153 NH1 ARG A 9 -12.232 -6.744 6.855 1.00 0.00 N ATOM 154 NH2 ARG A 9 -14.407 -6.348 7.211 1.00 0.00 N ATOM 155 H ARG A 9 -12.589 -13.615 5.700 1.00 0.00 H ATOM 156 HA ARG A 9 -14.848 -13.446 7.696 1.00 0.00 H ATOM 157 HB2 ARG A 9 -14.808 -11.075 7.458 1.00 0.00 H ATOM 158 HB3 ARG A 9 -13.174 -11.642 7.633 1.00 0.00 H ATOM 159 HG2 ARG A 9 -12.949 -11.401 5.031 1.00 0.00 H ATOM 160 HG3 ARG A 9 -14.504 -10.598 5.040 1.00 0.00 H ATOM 161 HD2 ARG A 9 -12.070 -9.635 6.697 1.00 0.00 H ATOM 162 HD3 ARG A 9 -12.390 -9.114 5.038 1.00 0.00 H ATOM 163 HE ARG A 9 -14.834 -8.577 6.479 1.00 0.00 H ATOM 164 HH11 ARG A 9 -11.542 -7.430 6.544 1.00 0.00 H ATOM 165 HH12 ARG A 9 -12.050 -5.788 7.167 1.00 0.00 H ATOM 166 HH21 ARG A 9 -15.368 -6.693 7.184 1.00 0.00 H ATOM 167 HH22 ARG A 9 -14.114 -5.413 7.503 1.00 0.00 H ATOM 168 N PRO A 10 -17.021 -13.010 6.078 1.00 0.00 N ATOM 169 CA PRO A 10 -18.164 -13.189 5.135 1.00 0.00 C ATOM 170 C PRO A 10 -18.300 -12.028 4.091 1.00 0.00 C ATOM 171 O PRO A 10 -18.822 -10.950 4.393 1.00 0.00 O ATOM 172 CB PRO A 10 -19.356 -13.347 6.101 1.00 0.00 C ATOM 173 CG PRO A 10 -18.970 -12.559 7.355 1.00 0.00 C ATOM 174 CD PRO A 10 -17.453 -12.727 7.464 1.00 0.00 C ATOM 175 HA PRO A 10 -18.060 -14.151 4.591 1.00 0.00 H ATOM 176 HB2 PRO A 10 -20.318 -13.011 5.668 1.00 0.00 H ATOM 177 HB3 PRO A 10 -19.492 -14.416 6.359 1.00 0.00 H ATOM 178 HG2 PRO A 10 -19.231 -11.491 7.221 1.00 0.00 H ATOM 179 HG3 PRO A 10 -19.505 -12.910 8.258 1.00 0.00 H ATOM 180 HD2 PRO A 10 -16.984 -11.816 7.880 1.00 0.00 H ATOM 181 HD3 PRO A 10 -17.204 -13.575 8.133 1.00 0.00 H ATOM 182 N TYR A 11 -17.804 -12.265 2.863 1.00 0.00 N ATOM 183 CA TYR A 11 -17.850 -11.269 1.746 1.00 0.00 C ATOM 184 C TYR A 11 -18.285 -11.898 0.381 1.00 0.00 C ATOM 185 O TYR A 11 -19.307 -11.482 -0.170 1.00 0.00 O ATOM 186 CB TYR A 11 -16.566 -10.380 1.701 1.00 0.00 C ATOM 187 CG TYR A 11 -15.228 -11.024 1.277 1.00 0.00 C ATOM 188 CD1 TYR A 11 -14.463 -11.732 2.205 1.00 0.00 C ATOM 189 CD2 TYR A 11 -14.769 -10.917 -0.040 1.00 0.00 C ATOM 190 CE1 TYR A 11 -13.274 -12.347 1.825 1.00 0.00 C ATOM 191 CE2 TYR A 11 -13.579 -11.534 -0.425 1.00 0.00 C ATOM 192 CZ TYR A 11 -12.834 -12.251 0.509 1.00 0.00 C ATOM 193 OH TYR A 11 -11.670 -12.867 0.139 1.00 0.00 O ATOM 194 H TYR A 11 -17.306 -13.159 2.790 1.00 0.00 H ATOM 195 HA TYR A 11 -18.673 -10.558 1.965 1.00 0.00 H ATOM 196 HB2 TYR A 11 -16.775 -9.516 1.042 1.00 0.00 H ATOM 197 HB3 TYR A 11 -16.437 -9.908 2.695 1.00 0.00 H ATOM 198 HD1 TYR A 11 -14.805 -11.816 3.220 1.00 0.00 H ATOM 199 HD2 TYR A 11 -15.351 -10.378 -0.775 1.00 0.00 H ATOM 200 HE1 TYR A 11 -12.693 -12.901 2.548 1.00 0.00 H ATOM 201 HE2 TYR A 11 -13.249 -11.464 -1.451 1.00 0.00 H ATOM 202 HH TYR A 11 -11.479 -12.646 -0.775 1.00 0.00 H ATOM 203 N ILE A 12 -17.544 -12.885 -0.166 1.00 0.00 N ATOM 204 CA ILE A 12 -17.970 -13.650 -1.379 1.00 0.00 C ATOM 205 C ILE A 12 -18.836 -14.885 -0.955 1.00 0.00 C ATOM 206 O ILE A 12 -18.364 -15.767 -0.229 1.00 0.00 O ATOM 207 CB ILE A 12 -16.783 -14.036 -2.338 1.00 0.00 C ATOM 208 CG1 ILE A 12 -15.609 -14.839 -1.695 1.00 0.00 C ATOM 209 CG2 ILE A 12 -16.242 -12.807 -3.111 1.00 0.00 C ATOM 210 CD1 ILE A 12 -14.829 -15.730 -2.681 1.00 0.00 C ATOM 211 H ILE A 12 -16.716 -13.148 0.377 1.00 0.00 H ATOM 212 HA ILE A 12 -18.620 -12.990 -1.990 1.00 0.00 H ATOM 213 HB ILE A 12 -17.235 -14.692 -3.110 1.00 0.00 H ATOM 214 HG12 ILE A 12 -14.913 -14.155 -1.172 1.00 0.00 H ATOM 215 HG13 ILE A 12 -15.995 -15.500 -0.897 1.00 0.00 H ATOM 216 HG21 ILE A 12 -15.762 -12.076 -2.438 1.00 0.00 H ATOM 217 HG22 ILE A 12 -17.044 -12.268 -3.648 1.00 0.00 H ATOM 218 HG23 ILE A 12 -15.490 -13.088 -3.871 1.00 0.00 H ATOM 219 HD11 ILE A 12 -14.340 -15.144 -3.481 1.00 0.00 H ATOM 220 HD12 ILE A 12 -15.493 -16.467 -3.171 1.00 0.00 H ATOM 221 HD13 ILE A 12 -14.037 -16.304 -2.166 1.00 0.00 H ATOM 222 N LEU A 13 -20.101 -14.925 -1.407 1.00 0.00 N ATOM 223 CA LEU A 13 -21.031 -16.055 -1.140 1.00 0.00 C ATOM 224 C LEU A 13 -21.031 -17.038 -2.350 1.00 0.00 C ATOM 225 O LEU A 13 -21.408 -16.640 -3.480 1.00 0.00 O ATOM 226 CB LEU A 13 -22.465 -15.528 -0.822 1.00 0.00 C ATOM 227 CG LEU A 13 -22.713 -14.869 0.568 1.00 0.00 C ATOM 228 CD1 LEU A 13 -22.226 -13.410 0.660 1.00 0.00 C ATOM 229 CD2 LEU A 13 -24.213 -14.895 0.917 1.00 0.00 C ATOM 230 OXT LEU A 13 -20.657 -18.220 -2.165 1.00 0.00 O ATOM 231 H LEU A 13 -20.385 -14.154 -2.016 1.00 0.00 H ATOM 232 HA LEU A 13 -20.697 -16.629 -0.253 1.00 0.00 H ATOM 233 HB2 LEU A 13 -22.817 -14.861 -1.633 1.00 0.00 H ATOM 234 HB3 LEU A 13 -23.136 -16.406 -0.893 1.00 0.00 H ATOM 235 HG LEU A 13 -22.179 -15.464 1.335 1.00 0.00 H ATOM 236 HD11 LEU A 13 -21.137 -13.327 0.498 1.00 0.00 H ATOM 237 HD12 LEU A 13 -22.422 -12.971 1.655 1.00 0.00 H ATOM 238 HD13 LEU A 13 -22.716 -12.760 -0.089 1.00 0.00 H ATOM 239 HD21 LEU A 13 -24.611 -15.927 0.926 1.00 0.00 H ATOM 240 HD22 LEU A 13 -24.412 -14.471 1.919 1.00 0.00 H ATOM 241 HD23 LEU A 13 -24.818 -14.320 0.190 1.00 0.00 H TER 242 LEU A 13 ENDMDL MODEL 10 HETATM 1 N PCA A 1 -4.055 -12.266 -1.623 1.00 0.00 N HETATM 2 CA PCA A 1 -3.252 -13.487 -1.797 1.00 0.00 C HETATM 3 CB PCA A 1 -3.755 -14.335 -0.610 1.00 0.00 C HETATM 4 CG PCA A 1 -4.257 -13.316 0.423 1.00 0.00 C HETATM 5 CD PCA A 1 -4.623 -12.138 -0.450 1.00 0.00 C HETATM 6 OE PCA A 1 -5.357 -11.207 -0.133 1.00 0.00 O HETATM 7 C PCA A 1 -3.391 -14.165 -3.194 1.00 0.00 C HETATM 8 O PCA A 1 -4.491 -14.536 -3.615 1.00 0.00 O HETATM 9 H1 PCA A 1 -4.347 -11.597 -2.342 1.00 0.00 H HETATM 10 HA PCA A 1 -2.193 -13.218 -1.608 1.00 0.00 H HETATM 11 HB2 PCA A 1 -2.979 -15.013 -0.205 1.00 0.00 H HETATM 12 HB3 PCA A 1 -4.599 -14.983 -0.922 1.00 0.00 H HETATM 13 HG2 PCA A 1 -3.468 -13.019 1.137 1.00 0.00 H HETATM 14 HG3 PCA A 1 -5.125 -13.684 1.000 1.00 0.00 H ATOM 15 N LEU A 2 -2.263 -14.331 -3.909 1.00 0.00 N ATOM 16 CA LEU A 2 -2.249 -14.942 -5.273 1.00 0.00 C ATOM 17 C LEU A 2 -2.263 -16.513 -5.254 1.00 0.00 C ATOM 18 O LEU A 2 -3.126 -17.110 -5.901 1.00 0.00 O ATOM 19 CB LEU A 2 -1.059 -14.375 -6.114 1.00 0.00 C ATOM 20 CG LEU A 2 -1.064 -12.911 -6.645 1.00 0.00 C ATOM 21 CD1 LEU A 2 -2.240 -12.599 -7.588 1.00 0.00 C ATOM 22 CD2 LEU A 2 -0.961 -11.830 -5.555 1.00 0.00 C ATOM 23 H LEU A 2 -1.423 -13.918 -3.495 1.00 0.00 H ATOM 24 HA LEU A 2 -3.177 -14.649 -5.804 1.00 0.00 H ATOM 25 HB2 LEU A 2 -0.112 -14.546 -5.567 1.00 0.00 H ATOM 26 HB3 LEU A 2 -0.953 -15.015 -7.013 1.00 0.00 H ATOM 27 HG LEU A 2 -0.146 -12.811 -7.258 1.00 0.00 H ATOM 28 HD11 LEU A 2 -3.212 -12.584 -7.060 1.00 0.00 H ATOM 29 HD12 LEU A 2 -2.121 -11.609 -8.068 1.00 0.00 H ATOM 30 HD13 LEU A 2 -2.320 -13.337 -8.407 1.00 0.00 H ATOM 31 HD21 LEU A 2 -1.879 -11.762 -4.943 1.00 0.00 H ATOM 32 HD22 LEU A 2 -0.797 -10.828 -5.994 1.00 0.00 H ATOM 33 HD23 LEU A 2 -0.114 -12.016 -4.870 1.00 0.00 H ATOM 34 N TYR A 3 -1.321 -17.183 -4.553 1.00 0.00 N ATOM 35 CA TYR A 3 -1.267 -18.676 -4.477 1.00 0.00 C ATOM 36 C TYR A 3 -2.274 -19.300 -3.448 1.00 0.00 C ATOM 37 O TYR A 3 -3.132 -20.088 -3.853 1.00 0.00 O ATOM 38 CB TYR A 3 0.224 -19.089 -4.275 1.00 0.00 C ATOM 39 CG TYR A 3 0.513 -20.599 -4.391 1.00 0.00 C ATOM 40 CD1 TYR A 3 0.782 -21.177 -5.637 1.00 0.00 C ATOM 41 CD2 TYR A 3 0.500 -21.410 -3.249 1.00 0.00 C ATOM 42 CE1 TYR A 3 1.024 -22.546 -5.740 1.00 0.00 C ATOM 43 CE2 TYR A 3 0.738 -22.778 -3.355 1.00 0.00 C ATOM 44 CZ TYR A 3 1.000 -23.345 -4.599 1.00 0.00 C ATOM 45 OH TYR A 3 1.227 -24.692 -4.694 1.00 0.00 O ATOM 46 H TYR A 3 -0.679 -16.579 -4.033 1.00 0.00 H ATOM 47 HA TYR A 3 -1.565 -19.081 -5.466 1.00 0.00 H ATOM 48 HB2 TYR A 3 0.858 -18.559 -5.013 1.00 0.00 H ATOM 49 HB3 TYR A 3 0.589 -18.716 -3.299 1.00 0.00 H ATOM 50 HD1 TYR A 3 0.798 -20.569 -6.530 1.00 0.00 H ATOM 51 HD2 TYR A 3 0.287 -20.985 -2.277 1.00 0.00 H ATOM 52 HE1 TYR A 3 1.226 -22.983 -6.707 1.00 0.00 H ATOM 53 HE2 TYR A 3 0.715 -23.403 -2.474 1.00 0.00 H ATOM 54 HH TYR A 3 1.367 -24.921 -5.615 1.00 0.00 H ATOM 55 N GLU A 4 -2.166 -18.983 -2.141 1.00 0.00 N ATOM 56 CA GLU A 4 -3.081 -19.527 -1.098 1.00 0.00 C ATOM 57 C GLU A 4 -4.365 -18.644 -0.965 1.00 0.00 C ATOM 58 O GLU A 4 -4.290 -17.478 -0.567 1.00 0.00 O ATOM 59 CB GLU A 4 -2.284 -19.639 0.232 1.00 0.00 C ATOM 60 CG GLU A 4 -3.001 -20.454 1.342 1.00 0.00 C ATOM 61 CD GLU A 4 -2.264 -20.510 2.670 1.00 0.00 C ATOM 62 OE1 GLU A 4 -2.322 -19.526 3.435 1.00 0.00 O ATOM 63 OE2 GLU A 4 -1.648 -21.556 2.962 1.00 0.00 O ATOM 64 H GLU A 4 -1.457 -18.278 -1.923 1.00 0.00 H ATOM 65 HA GLU A 4 -3.367 -20.562 -1.379 1.00 0.00 H ATOM 66 HB2 GLU A 4 -1.298 -20.110 0.045 1.00 0.00 H ATOM 67 HB3 GLU A 4 -2.050 -18.625 0.614 1.00 0.00 H ATOM 68 HG2 GLU A 4 -3.999 -20.036 1.557 1.00 0.00 H ATOM 69 HG3 GLU A 4 -3.163 -21.495 1.011 1.00 0.00 H ATOM 70 N ASN A 5 -5.542 -19.207 -1.290 1.00 0.00 N ATOM 71 CA ASN A 5 -6.841 -18.478 -1.230 1.00 0.00 C ATOM 72 C ASN A 5 -7.910 -19.301 -0.435 1.00 0.00 C ATOM 73 O ASN A 5 -8.265 -20.426 -0.798 1.00 0.00 O ATOM 74 CB ASN A 5 -7.287 -18.029 -2.652 1.00 0.00 C ATOM 75 CG ASN A 5 -7.577 -19.089 -3.731 1.00 0.00 C ATOM 76 OD1 ASN A 5 -7.383 -20.290 -3.584 1.00 0.00 O ATOM 77 ND2 ASN A 5 -8.049 -18.666 -4.878 1.00 0.00 N ATOM 78 H ASN A 5 -5.477 -20.144 -1.704 1.00 0.00 H ATOM 79 HA ASN A 5 -6.691 -17.526 -0.678 1.00 0.00 H ATOM 80 HB2 ASN A 5 -8.186 -17.393 -2.544 1.00 0.00 H ATOM 81 HB3 ASN A 5 -6.511 -17.349 -3.055 1.00 0.00 H ATOM 82 HD21 ASN A 5 -8.093 -17.654 -5.021 1.00 0.00 H ATOM 83 HD22 ASN A 5 -8.174 -19.412 -5.567 1.00 0.00 H ATOM 84 N LYS A 6 -8.417 -18.736 0.674 1.00 0.00 N ATOM 85 CA LYS A 6 -9.464 -19.375 1.521 1.00 0.00 C ATOM 86 C LYS A 6 -10.459 -18.255 1.994 1.00 0.00 C ATOM 87 O LYS A 6 -9.984 -17.317 2.651 1.00 0.00 O ATOM 88 CB LYS A 6 -8.818 -20.088 2.750 1.00 0.00 C ATOM 89 CG LYS A 6 -8.043 -21.398 2.456 1.00 0.00 C ATOM 90 CD LYS A 6 -7.407 -21.999 3.732 1.00 0.00 C ATOM 91 CE LYS A 6 -6.585 -23.287 3.514 1.00 0.00 C ATOM 92 NZ LYS A 6 -7.464 -24.482 3.362 1.00 0.00 N1+ ATOM 93 H LYS A 6 -8.047 -17.805 0.897 1.00 0.00 H ATOM 94 HA LYS A 6 -10.017 -20.135 0.937 1.00 0.00 H ATOM 95 HB2 LYS A 6 -8.154 -19.371 3.273 1.00 0.00 H ATOM 96 HB3 LYS A 6 -9.614 -20.320 3.485 1.00 0.00 H ATOM 97 HG2 LYS A 6 -8.720 -22.126 1.970 1.00 0.00 H ATOM 98 HG3 LYS A 6 -7.249 -21.195 1.708 1.00 0.00 H ATOM 99 HD2 LYS A 6 -6.728 -21.236 4.164 1.00 0.00 H ATOM 100 HD3 LYS A 6 -8.177 -22.151 4.516 1.00 0.00 H ATOM 101 HE2 LYS A 6 -5.903 -23.167 2.641 1.00 0.00 H ATOM 102 HE3 LYS A 6 -5.893 -23.427 4.376 1.00 0.00 H ATOM 103 HZ1 LYS A 6 -6.944 -25.361 3.234 1.00 0.00 H ATOM 104 HZ2 LYS A 6 -8.072 -24.629 4.178 1.00 0.00 H ATOM 105 HZ3 LYS A 6 -8.096 -24.404 2.556 1.00 0.00 H ATOM 106 N PRO A 7 -11.808 -18.280 1.749 1.00 0.00 N ATOM 107 CA PRO A 7 -12.724 -17.195 2.213 1.00 0.00 C ATOM 108 C PRO A 7 -13.014 -17.215 3.756 1.00 0.00 C ATOM 109 O PRO A 7 -14.025 -17.742 4.227 1.00 0.00 O ATOM 110 CB PRO A 7 -13.946 -17.398 1.292 1.00 0.00 C ATOM 111 CG PRO A 7 -13.956 -18.890 0.951 1.00 0.00 C ATOM 112 CD PRO A 7 -12.478 -19.279 0.886 1.00 0.00 C ATOM 113 HA PRO A 7 -12.295 -16.204 1.959 1.00 0.00 H ATOM 114 HB2 PRO A 7 -14.898 -17.062 1.747 1.00 0.00 H ATOM 115 HB3 PRO A 7 -13.825 -16.806 0.364 1.00 0.00 H ATOM 116 HG2 PRO A 7 -14.468 -19.454 1.756 1.00 0.00 H ATOM 117 HG3 PRO A 7 -14.499 -19.108 0.012 1.00 0.00 H ATOM 118 HD2 PRO A 7 -12.329 -20.318 1.241 1.00 0.00 H ATOM 119 HD3 PRO A 7 -12.100 -19.217 -0.154 1.00 0.00 H ATOM 120 N ARG A 8 -12.094 -16.615 4.532 1.00 0.00 N ATOM 121 CA ARG A 8 -12.209 -16.505 6.021 1.00 0.00 C ATOM 122 C ARG A 8 -13.163 -15.359 6.512 1.00 0.00 C ATOM 123 O ARG A 8 -13.980 -15.583 7.408 1.00 0.00 O ATOM 124 CB ARG A 8 -10.784 -16.373 6.645 1.00 0.00 C ATOM 125 CG ARG A 8 -9.903 -17.653 6.622 1.00 0.00 C ATOM 126 CD ARG A 8 -8.484 -17.480 7.216 1.00 0.00 C ATOM 127 NE ARG A 8 -8.504 -17.460 8.707 1.00 0.00 N ATOM 128 CZ ARG A 8 -7.461 -17.196 9.498 1.00 0.00 C ATOM 129 NH1 ARG A 8 -6.263 -16.910 9.052 1.00 0.00 N ATOM 130 NH2 ARG A 8 -7.640 -17.223 10.789 1.00 0.00 N ATOM 131 H ARG A 8 -11.223 -16.420 4.019 1.00 0.00 H ATOM 132 HA ARG A 8 -12.654 -17.443 6.412 1.00 0.00 H ATOM 133 HB2 ARG A 8 -10.243 -15.539 6.155 1.00 0.00 H ATOM 134 HB3 ARG A 8 -10.885 -16.050 7.700 1.00 0.00 H ATOM 135 HG2 ARG A 8 -10.431 -18.491 7.120 1.00 0.00 H ATOM 136 HG3 ARG A 8 -9.798 -17.984 5.570 1.00 0.00 H ATOM 137 HD2 ARG A 8 -7.849 -18.321 6.870 1.00 0.00 H ATOM 138 HD3 ARG A 8 -8.019 -16.561 6.802 1.00 0.00 H ATOM 139 HE ARG A 8 -9.371 -17.656 9.215 1.00 0.00 H ATOM 140 HH11 ARG A 8 -6.182 -16.900 8.034 1.00 0.00 H ATOM 141 HH12 ARG A 8 -5.523 -16.715 9.730 1.00 0.00 H ATOM 142 HH21 ARG A 8 -8.577 -17.450 11.126 1.00 0.00 H ATOM 143 HH22 ARG A 8 -6.829 -17.018 11.377 1.00 0.00 H ATOM 144 N ARG A 9 -13.054 -14.141 5.949 1.00 0.00 N ATOM 145 CA ARG A 9 -14.011 -13.028 6.207 1.00 0.00 C ATOM 146 C ARG A 9 -15.347 -13.231 5.387 1.00 0.00 C ATOM 147 O ARG A 9 -15.247 -13.490 4.181 1.00 0.00 O ATOM 148 CB ARG A 9 -13.223 -11.731 5.849 1.00 0.00 C ATOM 149 CG ARG A 9 -13.934 -10.378 6.099 1.00 0.00 C ATOM 150 CD ARG A 9 -13.049 -9.170 5.720 1.00 0.00 C ATOM 151 NE ARG A 9 -13.788 -7.909 6.004 1.00 0.00 N ATOM 152 CZ ARG A 9 -13.435 -6.688 5.597 1.00 0.00 C ATOM 153 NH1 ARG A 9 -12.371 -6.436 4.873 1.00 0.00 N ATOM 154 NH2 ARG A 9 -14.192 -5.684 5.938 1.00 0.00 N ATOM 155 H ARG A 9 -12.458 -14.150 5.116 1.00 0.00 H ATOM 156 HA ARG A 9 -14.230 -12.995 7.290 1.00 0.00 H ATOM 157 HB2 ARG A 9 -12.272 -11.724 6.419 1.00 0.00 H ATOM 158 HB3 ARG A 9 -12.909 -11.778 4.789 1.00 0.00 H ATOM 159 HG2 ARG A 9 -14.879 -10.342 5.520 1.00 0.00 H ATOM 160 HG3 ARG A 9 -14.233 -10.314 7.164 1.00 0.00 H ATOM 161 HD2 ARG A 9 -12.100 -9.196 6.297 1.00 0.00 H ATOM 162 HD3 ARG A 9 -12.764 -9.240 4.648 1.00 0.00 H ATOM 163 HE ARG A 9 -14.642 -7.927 6.569 1.00 0.00 H ATOM 164 HH11 ARG A 9 -11.810 -7.257 4.640 1.00 0.00 H ATOM 165 HH12 ARG A 9 -12.185 -5.468 4.603 1.00 0.00 H ATOM 166 HH21 ARG A 9 -15.014 -5.897 6.506 1.00 0.00 H ATOM 167 HH22 ARG A 9 -13.912 -4.755 5.618 1.00 0.00 H ATOM 168 N PRO A 10 -16.597 -13.123 5.939 1.00 0.00 N ATOM 169 CA PRO A 10 -17.843 -13.345 5.146 1.00 0.00 C ATOM 170 C PRO A 10 -18.194 -12.166 4.174 1.00 0.00 C ATOM 171 O PRO A 10 -18.863 -11.196 4.542 1.00 0.00 O ATOM 172 CB PRO A 10 -18.888 -13.630 6.246 1.00 0.00 C ATOM 173 CG PRO A 10 -18.375 -12.905 7.491 1.00 0.00 C ATOM 174 CD PRO A 10 -16.851 -13.003 7.389 1.00 0.00 C ATOM 175 HA PRO A 10 -17.748 -14.276 4.549 1.00 0.00 H ATOM 176 HB2 PRO A 10 -19.914 -13.320 5.968 1.00 0.00 H ATOM 177 HB3 PRO A 10 -18.940 -14.719 6.443 1.00 0.00 H ATOM 178 HG2 PRO A 10 -18.695 -11.845 7.466 1.00 0.00 H ATOM 179 HG3 PRO A 10 -18.770 -13.339 8.429 1.00 0.00 H ATOM 180 HD2 PRO A 10 -16.364 -12.116 7.838 1.00 0.00 H ATOM 181 HD3 PRO A 10 -16.480 -13.902 7.923 1.00 0.00 H ATOM 182 N TYR A 11 -17.709 -12.277 2.926 1.00 0.00 N ATOM 183 CA TYR A 11 -17.914 -11.251 1.856 1.00 0.00 C ATOM 184 C TYR A 11 -18.380 -11.851 0.488 1.00 0.00 C ATOM 185 O TYR A 11 -19.385 -11.389 -0.058 1.00 0.00 O ATOM 186 CB TYR A 11 -16.700 -10.273 1.756 1.00 0.00 C ATOM 187 CG TYR A 11 -15.334 -10.826 1.290 1.00 0.00 C ATOM 188 CD1 TYR A 11 -15.020 -10.920 -0.070 1.00 0.00 C ATOM 189 CD2 TYR A 11 -14.396 -11.250 2.235 1.00 0.00 C ATOM 190 CE1 TYR A 11 -13.806 -11.470 -0.479 1.00 0.00 C ATOM 191 CE2 TYR A 11 -13.182 -11.797 1.827 1.00 0.00 C ATOM 192 CZ TYR A 11 -12.888 -11.909 0.474 1.00 0.00 C ATOM 193 OH TYR A 11 -11.694 -12.454 0.088 1.00 0.00 O ATOM 194 H TYR A 11 -17.028 -13.041 2.839 1.00 0.00 H ATOM 195 HA TYR A 11 -18.771 -10.613 2.155 1.00 0.00 H ATOM 196 HB2 TYR A 11 -16.986 -9.435 1.092 1.00 0.00 H ATOM 197 HB3 TYR A 11 -16.579 -9.781 2.740 1.00 0.00 H ATOM 198 HD1 TYR A 11 -15.735 -10.601 -0.817 1.00 0.00 H ATOM 199 HD2 TYR A 11 -14.626 -11.179 3.284 1.00 0.00 H ATOM 200 HE1 TYR A 11 -13.587 -11.562 -1.531 1.00 0.00 H ATOM 201 HE2 TYR A 11 -12.465 -12.147 2.556 1.00 0.00 H ATOM 202 HH TYR A 11 -11.628 -12.420 -0.868 1.00 0.00 H ATOM 203 N ILE A 12 -17.680 -12.862 -0.069 1.00 0.00 N ATOM 204 CA ILE A 12 -18.089 -13.547 -1.332 1.00 0.00 C ATOM 205 C ILE A 12 -19.037 -14.752 -0.998 1.00 0.00 C ATOM 206 O ILE A 12 -18.586 -15.877 -0.764 1.00 0.00 O ATOM 207 CB ILE A 12 -16.822 -13.839 -2.224 1.00 0.00 C ATOM 208 CG1 ILE A 12 -17.167 -14.245 -3.688 1.00 0.00 C ATOM 209 CG2 ILE A 12 -15.815 -14.868 -1.645 1.00 0.00 C ATOM 210 CD1 ILE A 12 -17.661 -13.093 -4.582 1.00 0.00 C ATOM 211 H ILE A 12 -16.863 -13.162 0.472 1.00 0.00 H ATOM 212 HA ILE A 12 -18.684 -12.830 -1.933 1.00 0.00 H ATOM 213 HB ILE A 12 -16.258 -12.888 -2.294 1.00 0.00 H ATOM 214 HG12 ILE A 12 -16.275 -14.676 -4.185 1.00 0.00 H ATOM 215 HG13 ILE A 12 -17.909 -15.067 -3.691 1.00 0.00 H ATOM 216 HG21 ILE A 12 -16.230 -15.894 -1.627 1.00 0.00 H ATOM 217 HG22 ILE A 12 -15.513 -14.622 -0.611 1.00 0.00 H ATOM 218 HG23 ILE A 12 -14.884 -14.912 -2.242 1.00 0.00 H ATOM 219 HD11 ILE A 12 -18.602 -12.644 -4.215 1.00 0.00 H ATOM 220 HD12 ILE A 12 -17.859 -13.446 -5.611 1.00 0.00 H ATOM 221 HD13 ILE A 12 -16.913 -12.282 -4.660 1.00 0.00 H ATOM 222 N LEU A 13 -20.354 -14.479 -0.944 1.00 0.00 N ATOM 223 CA LEU A 13 -21.398 -15.501 -0.655 1.00 0.00 C ATOM 224 C LEU A 13 -22.002 -16.033 -1.991 1.00 0.00 C ATOM 225 O LEU A 13 -21.882 -17.251 -2.263 1.00 0.00 O ATOM 226 CB LEU A 13 -22.504 -14.923 0.285 1.00 0.00 C ATOM 227 CG LEU A 13 -22.172 -14.748 1.797 1.00 0.00 C ATOM 228 CD1 LEU A 13 -21.335 -13.492 2.103 1.00 0.00 C ATOM 229 CD2 LEU A 13 -23.465 -14.673 2.632 1.00 0.00 C ATOM 230 OXT LEU A 13 -22.605 -15.247 -2.764 1.00 0.00 O ATOM 231 H LEU A 13 -20.609 -13.503 -1.119 1.00 0.00 H ATOM 232 HA LEU A 13 -20.952 -16.369 -0.130 1.00 0.00 H ATOM 233 HB2 LEU A 13 -22.906 -13.980 -0.133 1.00 0.00 H ATOM 234 HB3 LEU A 13 -23.359 -15.624 0.220 1.00 0.00 H ATOM 235 HG LEU A 13 -21.604 -15.637 2.135 1.00 0.00 H ATOM 236 HD11 LEU A 13 -21.837 -12.564 1.770 1.00 0.00 H ATOM 237 HD12 LEU A 13 -21.125 -13.383 3.183 1.00 0.00 H ATOM 238 HD13 LEU A 13 -20.355 -13.530 1.602 1.00 0.00 H ATOM 239 HD21 LEU A 13 -23.254 -14.587 3.714 1.00 0.00 H ATOM 240 HD22 LEU A 13 -24.091 -13.806 2.349 1.00 0.00 H ATOM 241 HD23 LEU A 13 -24.086 -15.578 2.502 1.00 0.00 H TER 242 LEU A 13 ENDMDL MODEL 11 HETATM 1 N PCA A 1 4.028 -20.984 -2.853 1.00 0.00 N HETATM 2 CA PCA A 1 3.438 -22.117 -2.117 1.00 0.00 C HETATM 3 CB PCA A 1 4.301 -22.120 -0.835 1.00 0.00 C HETATM 4 CG PCA A 1 5.626 -21.462 -1.256 1.00 0.00 C HETATM 5 CD PCA A 1 5.213 -20.612 -2.437 1.00 0.00 C HETATM 6 OE PCA A 1 5.874 -19.712 -2.943 1.00 0.00 O HETATM 7 C PCA A 1 1.893 -22.111 -1.906 1.00 0.00 C HETATM 8 O PCA A 1 1.247 -23.126 -2.178 1.00 0.00 O HETATM 9 H1 PCA A 1 3.667 -20.511 -3.687 1.00 0.00 H HETATM 10 HA PCA A 1 3.672 -23.036 -2.690 1.00 0.00 H HETATM 11 HB2 PCA A 1 3.827 -21.518 -0.035 1.00 0.00 H HETATM 12 HB3 PCA A 1 4.443 -23.137 -0.423 1.00 0.00 H HETATM 13 HG2 PCA A 1 6.375 -22.206 -1.585 1.00 0.00 H HETATM 14 HG3 PCA A 1 6.079 -20.850 -0.455 1.00 0.00 H ATOM 15 N LEU A 2 1.290 -20.999 -1.438 1.00 0.00 N ATOM 16 CA LEU A 2 -0.187 -20.893 -1.263 1.00 0.00 C ATOM 17 C LEU A 2 -0.864 -20.420 -2.594 1.00 0.00 C ATOM 18 O LEU A 2 -0.945 -19.221 -2.877 1.00 0.00 O ATOM 19 CB LEU A 2 -0.452 -19.958 -0.045 1.00 0.00 C ATOM 20 CG LEU A 2 -1.914 -19.907 0.482 1.00 0.00 C ATOM 21 CD1 LEU A 2 -2.301 -21.170 1.275 1.00 0.00 C ATOM 22 CD2 LEU A 2 -2.115 -18.675 1.383 1.00 0.00 C ATOM 23 H LEU A 2 1.917 -20.194 -1.335 1.00 0.00 H ATOM 24 HA LEU A 2 -0.595 -21.887 -0.989 1.00 0.00 H ATOM 25 HB2 LEU A 2 0.209 -20.237 0.799 1.00 0.00 H ATOM 26 HB3 LEU A 2 -0.128 -18.936 -0.323 1.00 0.00 H ATOM 27 HG LEU A 2 -2.609 -19.804 -0.377 1.00 0.00 H ATOM 28 HD11 LEU A 2 -2.216 -22.088 0.668 1.00 0.00 H ATOM 29 HD12 LEU A 2 -3.350 -21.124 1.624 1.00 0.00 H ATOM 30 HD13 LEU A 2 -1.668 -21.309 2.172 1.00 0.00 H ATOM 31 HD21 LEU A 2 -1.456 -18.693 2.272 1.00 0.00 H ATOM 32 HD22 LEU A 2 -1.907 -17.735 0.839 1.00 0.00 H ATOM 33 HD23 LEU A 2 -3.156 -18.599 1.748 1.00 0.00 H ATOM 34 N TYR A 3 -1.332 -21.378 -3.416 1.00 0.00 N ATOM 35 CA TYR A 3 -1.972 -21.077 -4.732 1.00 0.00 C ATOM 36 C TYR A 3 -3.490 -20.695 -4.609 1.00 0.00 C ATOM 37 O TYR A 3 -3.863 -19.581 -4.988 1.00 0.00 O ATOM 38 CB TYR A 3 -1.644 -22.260 -5.692 1.00 0.00 C ATOM 39 CG TYR A 3 -2.068 -22.056 -7.158 1.00 0.00 C ATOM 40 CD1 TYR A 3 -1.217 -21.419 -8.069 1.00 0.00 C ATOM 41 CD2 TYR A 3 -3.323 -22.498 -7.589 1.00 0.00 C ATOM 42 CE1 TYR A 3 -1.625 -21.217 -9.387 1.00 0.00 C ATOM 43 CE2 TYR A 3 -3.732 -22.288 -8.903 1.00 0.00 C ATOM 44 CZ TYR A 3 -2.882 -21.647 -9.801 1.00 0.00 C ATOM 45 OH TYR A 3 -3.284 -21.434 -11.092 1.00 0.00 O ATOM 46 H TYR A 3 -1.101 -22.333 -3.121 1.00 0.00 H ATOM 47 HA TYR A 3 -1.476 -20.185 -5.167 1.00 0.00 H ATOM 48 HB2 TYR A 3 -0.554 -22.461 -5.670 1.00 0.00 H ATOM 49 HB3 TYR A 3 -2.091 -23.196 -5.302 1.00 0.00 H ATOM 50 HD1 TYR A 3 -0.241 -21.075 -7.758 1.00 0.00 H ATOM 51 HD2 TYR A 3 -3.991 -22.993 -6.900 1.00 0.00 H ATOM 52 HE1 TYR A 3 -0.970 -20.722 -10.090 1.00 0.00 H ATOM 53 HE2 TYR A 3 -4.711 -22.622 -9.216 1.00 0.00 H ATOM 54 HH TYR A 3 -4.177 -21.766 -11.195 1.00 0.00 H ATOM 55 N GLU A 4 -4.354 -21.593 -4.092 1.00 0.00 N ATOM 56 CA GLU A 4 -5.790 -21.282 -3.842 1.00 0.00 C ATOM 57 C GLU A 4 -5.983 -20.550 -2.473 1.00 0.00 C ATOM 58 O GLU A 4 -5.583 -21.043 -1.411 1.00 0.00 O ATOM 59 CB GLU A 4 -6.640 -22.580 -3.885 1.00 0.00 C ATOM 60 CG GLU A 4 -6.837 -23.217 -5.283 1.00 0.00 C ATOM 61 CD GLU A 4 -7.685 -24.476 -5.261 1.00 0.00 C ATOM 62 OE1 GLU A 4 -8.928 -24.364 -5.243 1.00 0.00 O ATOM 63 OE2 GLU A 4 -7.108 -25.584 -5.279 1.00 0.00 O ATOM 64 H GLU A 4 -3.927 -22.461 -3.758 1.00 0.00 H ATOM 65 HA GLU A 4 -6.163 -20.634 -4.662 1.00 0.00 H ATOM 66 HB2 GLU A 4 -6.223 -23.330 -3.184 1.00 0.00 H ATOM 67 HB3 GLU A 4 -7.651 -22.360 -3.484 1.00 0.00 H ATOM 68 HG2 GLU A 4 -7.320 -22.509 -5.979 1.00 0.00 H ATOM 69 HG3 GLU A 4 -5.868 -23.483 -5.735 1.00 0.00 H ATOM 70 N ASN A 5 -6.627 -19.372 -2.506 1.00 0.00 N ATOM 71 CA ASN A 5 -6.930 -18.579 -1.282 1.00 0.00 C ATOM 72 C ASN A 5 -8.359 -18.922 -0.748 1.00 0.00 C ATOM 73 O ASN A 5 -9.357 -18.720 -1.447 1.00 0.00 O ATOM 74 CB ASN A 5 -6.796 -17.064 -1.604 1.00 0.00 C ATOM 75 CG ASN A 5 -5.364 -16.554 -1.811 1.00 0.00 C ATOM 76 OD1 ASN A 5 -4.651 -16.238 -0.866 1.00 0.00 O ATOM 77 ND2 ASN A 5 -4.897 -16.446 -3.032 1.00 0.00 N ATOM 78 H ASN A 5 -6.945 -19.091 -3.438 1.00 0.00 H ATOM 79 HA ASN A 5 -6.185 -18.808 -0.491 1.00 0.00 H ATOM 80 HB2 ASN A 5 -7.442 -16.783 -2.458 1.00 0.00 H ATOM 81 HB3 ASN A 5 -7.202 -16.481 -0.756 1.00 0.00 H ATOM 82 HD21 ASN A 5 -5.459 -16.864 -3.778 1.00 0.00 H ATOM 83 HD22 ASN A 5 -3.908 -16.185 -3.069 1.00 0.00 H ATOM 84 N LYS A 6 -8.459 -19.419 0.500 1.00 0.00 N ATOM 85 CA LYS A 6 -9.767 -19.722 1.153 1.00 0.00 C ATOM 86 C LYS A 6 -10.391 -18.450 1.849 1.00 0.00 C ATOM 87 O LYS A 6 -9.757 -17.939 2.780 1.00 0.00 O ATOM 88 CB LYS A 6 -9.623 -20.963 2.091 1.00 0.00 C ATOM 89 CG LYS A 6 -8.709 -20.848 3.343 1.00 0.00 C ATOM 90 CD LYS A 6 -8.582 -22.142 4.182 1.00 0.00 C ATOM 91 CE LYS A 6 -9.769 -22.400 5.131 1.00 0.00 C ATOM 92 NZ LYS A 6 -9.521 -23.624 5.945 1.00 0.00 N1+ ATOM 93 H LYS A 6 -7.566 -19.523 0.992 1.00 0.00 H ATOM 94 HA LYS A 6 -10.462 -20.076 0.370 1.00 0.00 H ATOM 95 HB2 LYS A 6 -10.638 -21.262 2.413 1.00 0.00 H ATOM 96 HB3 LYS A 6 -9.273 -21.816 1.475 1.00 0.00 H ATOM 97 HG2 LYS A 6 -7.695 -20.552 3.009 1.00 0.00 H ATOM 98 HG3 LYS A 6 -9.037 -20.008 3.986 1.00 0.00 H ATOM 99 HD2 LYS A 6 -8.415 -23.007 3.508 1.00 0.00 H ATOM 100 HD3 LYS A 6 -7.649 -22.063 4.776 1.00 0.00 H ATOM 101 HE2 LYS A 6 -9.916 -21.516 5.793 1.00 0.00 H ATOM 102 HE3 LYS A 6 -10.719 -22.484 4.558 1.00 0.00 H ATOM 103 HZ1 LYS A 6 -10.266 -23.825 6.626 1.00 0.00 H ATOM 104 HZ2 LYS A 6 -9.427 -24.470 5.368 1.00 0.00 H ATOM 105 HZ3 LYS A 6 -8.651 -23.566 6.490 1.00 0.00 H ATOM 106 N PRO A 7 -11.593 -17.897 1.484 1.00 0.00 N ATOM 107 CA PRO A 7 -12.158 -16.687 2.151 1.00 0.00 C ATOM 108 C PRO A 7 -12.562 -16.871 3.651 1.00 0.00 C ATOM 109 O PRO A 7 -13.496 -17.613 3.968 1.00 0.00 O ATOM 110 CB PRO A 7 -13.358 -16.322 1.248 1.00 0.00 C ATOM 111 CG PRO A 7 -13.050 -16.959 -0.104 1.00 0.00 C ATOM 112 CD PRO A 7 -12.342 -18.262 0.260 1.00 0.00 C ATOM 113 HA PRO A 7 -11.412 -15.872 2.058 1.00 0.00 H ATOM 114 HB2 PRO A 7 -14.307 -16.739 1.640 1.00 0.00 H ATOM 115 HB3 PRO A 7 -13.512 -15.231 1.167 1.00 0.00 H ATOM 116 HG2 PRO A 7 -13.958 -17.126 -0.715 1.00 0.00 H ATOM 117 HG3 PRO A 7 -12.377 -16.308 -0.696 1.00 0.00 H ATOM 118 HD2 PRO A 7 -13.072 -19.066 0.481 1.00 0.00 H ATOM 119 HD3 PRO A 7 -11.713 -18.596 -0.586 1.00 0.00 H ATOM 120 N ARG A 8 -11.847 -16.195 4.571 1.00 0.00 N ATOM 121 CA ARG A 8 -12.119 -16.302 6.041 1.00 0.00 C ATOM 122 C ARG A 8 -13.265 -15.386 6.586 1.00 0.00 C ATOM 123 O ARG A 8 -14.114 -15.864 7.341 1.00 0.00 O ATOM 124 CB ARG A 8 -10.785 -16.243 6.847 1.00 0.00 C ATOM 125 CG ARG A 8 -9.973 -14.915 6.907 1.00 0.00 C ATOM 126 CD ARG A 8 -10.337 -13.918 8.033 1.00 0.00 C ATOM 127 NE ARG A 8 -9.790 -14.346 9.352 1.00 0.00 N ATOM 128 CZ ARG A 8 -9.784 -13.609 10.464 1.00 0.00 C ATOM 129 NH1 ARG A 8 -10.279 -12.399 10.532 1.00 0.00 N ATOM 130 NH2 ARG A 8 -9.262 -14.116 11.543 1.00 0.00 N ATOM 131 H ARG A 8 -10.989 -15.782 4.195 1.00 0.00 H ATOM 132 HA ARG A 8 -12.496 -17.329 6.228 1.00 0.00 H ATOM 133 HB2 ARG A 8 -10.980 -16.602 7.876 1.00 0.00 H ATOM 134 HB3 ARG A 8 -10.121 -17.026 6.429 1.00 0.00 H ATOM 135 HG2 ARG A 8 -8.893 -15.156 6.977 1.00 0.00 H ATOM 136 HG3 ARG A 8 -10.055 -14.402 5.930 1.00 0.00 H ATOM 137 HD2 ARG A 8 -9.933 -12.925 7.753 1.00 0.00 H ATOM 138 HD3 ARG A 8 -11.434 -13.790 8.103 1.00 0.00 H ATOM 139 HE ARG A 8 -9.385 -15.280 9.465 1.00 0.00 H ATOM 140 HH11 ARG A 8 -10.723 -12.098 9.665 1.00 0.00 H ATOM 141 HH12 ARG A 8 -10.253 -11.916 11.432 1.00 0.00 H ATOM 142 HH21 ARG A 8 -8.892 -15.067 11.478 1.00 0.00 H ATOM 143 HH22 ARG A 8 -9.265 -13.536 12.385 1.00 0.00 H ATOM 144 N ARG A 9 -13.289 -14.086 6.236 1.00 0.00 N ATOM 145 CA ARG A 9 -14.399 -13.163 6.616 1.00 0.00 C ATOM 146 C ARG A 9 -15.662 -13.286 5.678 1.00 0.00 C ATOM 147 O ARG A 9 -15.499 -13.701 4.523 1.00 0.00 O ATOM 148 CB ARG A 9 -13.807 -11.726 6.757 1.00 0.00 C ATOM 149 CG ARG A 9 -13.353 -10.985 5.470 1.00 0.00 C ATOM 150 CD ARG A 9 -12.655 -9.627 5.695 1.00 0.00 C ATOM 151 NE ARG A 9 -11.231 -9.768 6.129 1.00 0.00 N ATOM 152 CZ ARG A 9 -10.770 -9.615 7.372 1.00 0.00 C ATOM 153 NH1 ARG A 9 -11.540 -9.408 8.411 1.00 0.00 N ATOM 154 NH2 ARG A 9 -9.484 -9.680 7.565 1.00 0.00 N ATOM 155 H ARG A 9 -12.618 -13.859 5.498 1.00 0.00 H ATOM 156 HA ARG A 9 -14.731 -13.450 7.633 1.00 0.00 H ATOM 157 HB2 ARG A 9 -14.555 -11.091 7.268 1.00 0.00 H ATOM 158 HB3 ARG A 9 -12.961 -11.773 7.467 1.00 0.00 H ATOM 159 HG2 ARG A 9 -12.713 -11.637 4.843 1.00 0.00 H ATOM 160 HG3 ARG A 9 -14.252 -10.799 4.853 1.00 0.00 H ATOM 161 HD2 ARG A 9 -12.658 -9.079 4.730 1.00 0.00 H ATOM 162 HD3 ARG A 9 -13.258 -8.970 6.354 1.00 0.00 H ATOM 163 HE ARG A 9 -10.493 -9.888 5.427 1.00 0.00 H ATOM 164 HH11 ARG A 9 -12.532 -9.335 8.174 1.00 0.00 H ATOM 165 HH12 ARG A 9 -11.107 -9.211 9.315 1.00 0.00 H ATOM 166 HH21 ARG A 9 -8.898 -9.801 6.735 1.00 0.00 H ATOM 167 HH22 ARG A 9 -9.140 -9.522 8.514 1.00 0.00 H ATOM 168 N PRO A 10 -16.924 -12.945 6.083 1.00 0.00 N ATOM 169 CA PRO A 10 -18.111 -13.089 5.193 1.00 0.00 C ATOM 170 C PRO A 10 -18.232 -11.944 4.130 1.00 0.00 C ATOM 171 O PRO A 10 -18.691 -10.837 4.426 1.00 0.00 O ATOM 172 CB PRO A 10 -19.262 -13.166 6.216 1.00 0.00 C ATOM 173 CG PRO A 10 -18.789 -12.358 7.426 1.00 0.00 C ATOM 174 CD PRO A 10 -17.278 -12.589 7.474 1.00 0.00 C ATOM 175 HA PRO A 10 -18.077 -14.066 4.669 1.00 0.00 H ATOM 176 HB2 PRO A 10 -20.228 -12.802 5.814 1.00 0.00 H ATOM 177 HB3 PRO A 10 -19.429 -14.220 6.513 1.00 0.00 H ATOM 178 HG2 PRO A 10 -19.009 -11.284 7.270 1.00 0.00 H ATOM 179 HG3 PRO A 10 -19.296 -12.659 8.363 1.00 0.00 H ATOM 180 HD2 PRO A 10 -16.753 -11.682 7.828 1.00 0.00 H ATOM 181 HD3 PRO A 10 -17.035 -13.419 8.167 1.00 0.00 H ATOM 182 N TYR A 11 -17.796 -12.231 2.891 1.00 0.00 N ATOM 183 CA TYR A 11 -17.853 -11.262 1.751 1.00 0.00 C ATOM 184 C TYR A 11 -18.362 -11.908 0.421 1.00 0.00 C ATOM 185 O TYR A 11 -19.386 -11.468 -0.109 1.00 0.00 O ATOM 186 CB TYR A 11 -16.542 -10.419 1.631 1.00 0.00 C ATOM 187 CG TYR A 11 -15.244 -11.107 1.157 1.00 0.00 C ATOM 188 CD1 TYR A 11 -14.473 -11.844 2.057 1.00 0.00 C ATOM 189 CD2 TYR A 11 -14.809 -10.987 -0.169 1.00 0.00 C ATOM 190 CE1 TYR A 11 -13.290 -12.453 1.651 1.00 0.00 C ATOM 191 CE2 TYR A 11 -13.628 -11.603 -0.581 1.00 0.00 C ATOM 192 CZ TYR A 11 -12.869 -12.334 0.329 1.00 0.00 C ATOM 193 OH TYR A 11 -11.712 -12.936 -0.083 1.00 0.00 O ATOM 194 H TYR A 11 -17.346 -13.149 2.818 1.00 0.00 H ATOM 195 HA TYR A 11 -18.642 -10.517 1.984 1.00 0.00 H ATOM 196 HB2 TYR A 11 -16.754 -9.557 0.971 1.00 0.00 H ATOM 197 HB3 TYR A 11 -16.351 -9.938 2.610 1.00 0.00 H ATOM 198 HD1 TYR A 11 -14.805 -11.949 3.074 1.00 0.00 H ATOM 199 HD2 TYR A 11 -15.391 -10.423 -0.885 1.00 0.00 H ATOM 200 HE1 TYR A 11 -12.714 -13.027 2.362 1.00 0.00 H ATOM 201 HE2 TYR A 11 -13.296 -11.512 -1.605 1.00 0.00 H ATOM 202 HH TYR A 11 -11.278 -13.337 0.671 1.00 0.00 H ATOM 203 N ILE A 12 -17.680 -12.940 -0.118 1.00 0.00 N ATOM 204 CA ILE A 12 -18.131 -13.671 -1.342 1.00 0.00 C ATOM 205 C ILE A 12 -19.087 -14.855 -0.943 1.00 0.00 C ATOM 206 O ILE A 12 -18.649 -15.978 -0.682 1.00 0.00 O ATOM 207 CB ILE A 12 -16.891 -14.001 -2.257 1.00 0.00 C ATOM 208 CG1 ILE A 12 -17.271 -14.457 -3.696 1.00 0.00 C ATOM 209 CG2 ILE A 12 -15.875 -15.012 -1.665 1.00 0.00 C ATOM 210 CD1 ILE A 12 -17.774 -13.335 -4.623 1.00 0.00 C ATOM 211 H ILE A 12 -16.833 -13.204 0.393 1.00 0.00 H ATOM 212 HA ILE A 12 -18.734 -12.970 -1.955 1.00 0.00 H ATOM 213 HB ILE A 12 -16.323 -13.055 -2.374 1.00 0.00 H ATOM 214 HG12 ILE A 12 -16.395 -14.915 -4.196 1.00 0.00 H ATOM 215 HG13 ILE A 12 -18.021 -15.272 -3.652 1.00 0.00 H ATOM 216 HG21 ILE A 12 -14.961 -15.082 -2.284 1.00 0.00 H ATOM 217 HG22 ILE A 12 -16.296 -16.032 -1.595 1.00 0.00 H ATOM 218 HG23 ILE A 12 -15.543 -14.725 -0.651 1.00 0.00 H ATOM 219 HD11 ILE A 12 -18.701 -12.861 -4.253 1.00 0.00 H ATOM 220 HD12 ILE A 12 -17.998 -13.726 -5.633 1.00 0.00 H ATOM 221 HD13 ILE A 12 -17.018 -12.537 -4.750 1.00 0.00 H ATOM 222 N LEU A 13 -20.398 -14.557 -0.869 1.00 0.00 N ATOM 223 CA LEU A 13 -21.463 -15.535 -0.499 1.00 0.00 C ATOM 224 C LEU A 13 -22.013 -16.248 -1.773 1.00 0.00 C ATOM 225 O LEU A 13 -21.910 -17.494 -1.857 1.00 0.00 O ATOM 226 CB LEU A 13 -22.534 -14.731 0.309 1.00 0.00 C ATOM 227 CG LEU A 13 -23.708 -15.443 1.043 1.00 0.00 C ATOM 228 CD1 LEU A 13 -24.723 -16.125 0.108 1.00 0.00 C ATOM 229 CD2 LEU A 13 -23.251 -16.422 2.137 1.00 0.00 C ATOM 230 OXT LEU A 13 -22.560 -15.575 -2.682 1.00 0.00 O ATOM 231 H LEU A 13 -20.630 -13.577 -1.056 1.00 0.00 H ATOM 232 HA LEU A 13 -21.042 -16.305 0.176 1.00 0.00 H ATOM 233 HB2 LEU A 13 -22.010 -14.139 1.085 1.00 0.00 H ATOM 234 HB3 LEU A 13 -22.973 -13.964 -0.360 1.00 0.00 H ATOM 235 HG LEU A 13 -24.267 -14.637 1.559 1.00 0.00 H ATOM 236 HD11 LEU A 13 -25.061 -15.441 -0.692 1.00 0.00 H ATOM 237 HD12 LEU A 13 -24.294 -17.014 -0.392 1.00 0.00 H ATOM 238 HD13 LEU A 13 -25.624 -16.462 0.652 1.00 0.00 H ATOM 239 HD21 LEU A 13 -22.553 -15.942 2.848 1.00 0.00 H ATOM 240 HD22 LEU A 13 -24.106 -16.795 2.731 1.00 0.00 H ATOM 241 HD23 LEU A 13 -22.736 -17.304 1.713 1.00 0.00 H TER 242 LEU A 13 ENDMDL MODEL 12 HETATM 1 N PCA A 1 -1.601 -24.371 -10.155 1.00 0.00 N HETATM 2 CA PCA A 1 -1.519 -23.201 -9.266 1.00 0.00 C HETATM 3 CB PCA A 1 -3.001 -22.772 -9.199 1.00 0.00 C HETATM 4 CG PCA A 1 -3.626 -23.316 -10.494 1.00 0.00 C HETATM 5 CD PCA A 1 -2.721 -24.481 -10.825 1.00 0.00 C HETATM 6 OE PCA A 1 -2.985 -25.406 -11.586 1.00 0.00 O HETATM 7 C PCA A 1 -0.855 -23.482 -7.885 1.00 0.00 C HETATM 8 O PCA A 1 -1.270 -24.386 -7.154 1.00 0.00 O HETATM 9 H1 PCA A 1 -0.972 -25.178 -10.191 1.00 0.00 H HETATM 10 HA PCA A 1 -0.953 -22.416 -9.807 1.00 0.00 H HETATM 11 HB2 PCA A 1 -3.124 -21.678 -9.091 1.00 0.00 H HETATM 12 HB3 PCA A 1 -3.506 -23.232 -8.324 1.00 0.00 H HETATM 13 HG2 PCA A 1 -4.674 -23.642 -10.364 1.00 0.00 H HETATM 14 HG3 PCA A 1 -3.593 -22.580 -11.317 1.00 0.00 H ATOM 15 N LEU A 2 0.175 -22.694 -7.527 1.00 0.00 N ATOM 16 CA LEU A 2 0.903 -22.851 -6.232 1.00 0.00 C ATOM 17 C LEU A 2 0.201 -22.143 -5.021 1.00 0.00 C ATOM 18 O LEU A 2 -0.099 -22.808 -4.027 1.00 0.00 O ATOM 19 CB LEU A 2 2.381 -22.413 -6.469 1.00 0.00 C ATOM 20 CG LEU A 2 3.394 -22.741 -5.338 1.00 0.00 C ATOM 21 CD1 LEU A 2 3.760 -24.237 -5.289 1.00 0.00 C ATOM 22 CD2 LEU A 2 4.683 -21.920 -5.519 1.00 0.00 C ATOM 23 H LEU A 2 0.448 -21.995 -8.225 1.00 0.00 H ATOM 24 HA LEU A 2 0.928 -23.929 -5.977 1.00 0.00 H ATOM 25 HB2 LEU A 2 2.761 -22.863 -7.408 1.00 0.00 H ATOM 26 HB3 LEU A 2 2.391 -21.323 -6.664 1.00 0.00 H ATOM 27 HG LEU A 2 2.954 -22.458 -4.361 1.00 0.00 H ATOM 28 HD11 LEU A 2 2.876 -24.879 -5.125 1.00 0.00 H ATOM 29 HD12 LEU A 2 4.463 -24.458 -4.463 1.00 0.00 H ATOM 30 HD13 LEU A 2 4.243 -24.580 -6.224 1.00 0.00 H ATOM 31 HD21 LEU A 2 4.480 -20.833 -5.510 1.00 0.00 H ATOM 32 HD22 LEU A 2 5.408 -22.111 -4.705 1.00 0.00 H ATOM 33 HD23 LEU A 2 5.196 -22.150 -6.472 1.00 0.00 H ATOM 34 N TYR A 3 -0.050 -20.819 -5.085 1.00 0.00 N ATOM 35 CA TYR A 3 -0.795 -20.080 -4.025 1.00 0.00 C ATOM 36 C TYR A 3 -2.352 -20.206 -4.163 1.00 0.00 C ATOM 37 O TYR A 3 -2.901 -20.125 -5.268 1.00 0.00 O ATOM 38 CB TYR A 3 -0.290 -18.602 -3.973 1.00 0.00 C ATOM 39 CG TYR A 3 -0.670 -17.663 -5.140 1.00 0.00 C ATOM 40 CD1 TYR A 3 0.137 -17.584 -6.281 1.00 0.00 C ATOM 41 CD2 TYR A 3 -1.847 -16.908 -5.080 1.00 0.00 C ATOM 42 CE1 TYR A 3 -0.245 -16.785 -7.358 1.00 0.00 C ATOM 43 CE2 TYR A 3 -2.226 -16.110 -6.157 1.00 0.00 C ATOM 44 CZ TYR A 3 -1.428 -16.053 -7.296 1.00 0.00 C ATOM 45 OH TYR A 3 -1.819 -15.282 -8.358 1.00 0.00 O ATOM 46 H TYR A 3 0.147 -20.396 -5.995 1.00 0.00 H ATOM 47 HA TYR A 3 -0.507 -20.521 -3.048 1.00 0.00 H ATOM 48 HB2 TYR A 3 -0.649 -18.152 -3.028 1.00 0.00 H ATOM 49 HB3 TYR A 3 0.810 -18.599 -3.843 1.00 0.00 H ATOM 50 HD1 TYR A 3 1.054 -18.151 -6.342 1.00 0.00 H ATOM 51 HD2 TYR A 3 -2.488 -16.958 -4.210 1.00 0.00 H ATOM 52 HE1 TYR A 3 0.378 -16.743 -8.239 1.00 0.00 H ATOM 53 HE2 TYR A 3 -3.145 -15.543 -6.114 1.00 0.00 H ATOM 54 HH TYR A 3 -1.181 -15.383 -9.067 1.00 0.00 H ATOM 55 N GLU A 4 -3.055 -20.354 -3.027 1.00 0.00 N ATOM 56 CA GLU A 4 -4.546 -20.336 -2.975 1.00 0.00 C ATOM 57 C GLU A 4 -5.043 -19.503 -1.749 1.00 0.00 C ATOM 58 O GLU A 4 -4.540 -19.634 -0.628 1.00 0.00 O ATOM 59 CB GLU A 4 -5.146 -21.772 -3.076 1.00 0.00 C ATOM 60 CG GLU A 4 -4.819 -22.837 -1.988 1.00 0.00 C ATOM 61 CD GLU A 4 -5.588 -22.771 -0.668 1.00 0.00 C ATOM 62 OE1 GLU A 4 -6.835 -22.863 -0.687 1.00 0.00 O ATOM 63 OE2 GLU A 4 -4.948 -22.711 0.402 1.00 0.00 O ATOM 64 H GLU A 4 -2.507 -20.425 -2.164 1.00 0.00 H ATOM 65 HA GLU A 4 -4.912 -19.811 -3.882 1.00 0.00 H ATOM 66 HB2 GLU A 4 -6.246 -21.694 -3.173 1.00 0.00 H ATOM 67 HB3 GLU A 4 -4.826 -22.184 -4.053 1.00 0.00 H ATOM 68 HG2 GLU A 4 -5.035 -23.838 -2.398 1.00 0.00 H ATOM 69 HG3 GLU A 4 -3.736 -22.850 -1.769 1.00 0.00 H ATOM 70 N ASN A 5 -6.030 -18.616 -1.970 1.00 0.00 N ATOM 71 CA ASN A 5 -6.646 -17.805 -0.883 1.00 0.00 C ATOM 72 C ASN A 5 -7.930 -18.508 -0.336 1.00 0.00 C ATOM 73 O ASN A 5 -8.899 -18.737 -1.068 1.00 0.00 O ATOM 74 CB ASN A 5 -6.964 -16.371 -1.392 1.00 0.00 C ATOM 75 CG ASN A 5 -5.748 -15.481 -1.686 1.00 0.00 C ATOM 76 OD1 ASN A 5 -5.224 -15.441 -2.793 1.00 0.00 O ATOM 77 ND2 ASN A 5 -5.268 -14.730 -0.723 1.00 0.00 N ATOM 78 H ASN A 5 -6.333 -18.541 -2.946 1.00 0.00 H ATOM 79 HA ASN A 5 -5.920 -17.690 -0.049 1.00 0.00 H ATOM 80 HB2 ASN A 5 -7.579 -16.424 -2.310 1.00 0.00 H ATOM 81 HB3 ASN A 5 -7.615 -15.851 -0.663 1.00 0.00 H ATOM 82 HD21 ASN A 5 -5.727 -14.777 0.190 1.00 0.00 H ATOM 83 HD22 ASN A 5 -4.467 -14.156 -1.003 1.00 0.00 H ATOM 84 N LYS A 6 -7.950 -18.802 0.975 1.00 0.00 N ATOM 85 CA LYS A 6 -9.138 -19.387 1.658 1.00 0.00 C ATOM 86 C LYS A 6 -10.162 -18.260 2.059 1.00 0.00 C ATOM 87 O LYS A 6 -9.746 -17.340 2.779 1.00 0.00 O ATOM 88 CB LYS A 6 -8.668 -20.150 2.933 1.00 0.00 C ATOM 89 CG LYS A 6 -7.828 -21.438 2.735 1.00 0.00 C ATOM 90 CD LYS A 6 -8.660 -22.690 2.386 1.00 0.00 C ATOM 91 CE LYS A 6 -7.774 -23.947 2.294 1.00 0.00 C ATOM 92 NZ LYS A 6 -8.599 -25.124 1.918 1.00 0.00 N1+ ATOM 93 H LYS A 6 -7.090 -18.570 1.481 1.00 0.00 H ATOM 94 HA LYS A 6 -9.616 -20.123 0.984 1.00 0.00 H ATOM 95 HB2 LYS A 6 -8.089 -19.446 3.562 1.00 0.00 H ATOM 96 HB3 LYS A 6 -9.549 -20.397 3.558 1.00 0.00 H ATOM 97 HG2 LYS A 6 -7.048 -21.275 1.960 1.00 0.00 H ATOM 98 HG3 LYS A 6 -7.261 -21.629 3.667 1.00 0.00 H ATOM 99 HD2 LYS A 6 -9.458 -22.832 3.143 1.00 0.00 H ATOM 100 HD3 LYS A 6 -9.179 -22.518 1.421 1.00 0.00 H ATOM 101 HE2 LYS A 6 -6.963 -23.782 1.547 1.00 0.00 H ATOM 102 HE3 LYS A 6 -7.235 -24.120 3.251 1.00 0.00 H ATOM 103 HZ1 LYS A 6 -9.346 -25.324 2.594 1.00 0.00 H ATOM 104 HZ2 LYS A 6 -8.049 -25.988 1.817 1.00 0.00 H ATOM 105 HZ3 LYS A 6 -9.060 -24.982 1.009 1.00 0.00 H ATOM 106 N PRO A 7 -11.482 -18.276 1.693 1.00 0.00 N ATOM 107 CA PRO A 7 -12.434 -17.196 2.088 1.00 0.00 C ATOM 108 C PRO A 7 -12.874 -17.245 3.593 1.00 0.00 C ATOM 109 O PRO A 7 -13.915 -17.798 3.957 1.00 0.00 O ATOM 110 CB PRO A 7 -13.566 -17.380 1.057 1.00 0.00 C ATOM 111 CG PRO A 7 -13.540 -18.862 0.679 1.00 0.00 C ATOM 112 CD PRO A 7 -12.062 -19.250 0.745 1.00 0.00 C ATOM 113 HA PRO A 7 -11.981 -16.202 1.894 1.00 0.00 H ATOM 114 HB2 PRO A 7 -14.555 -17.060 1.438 1.00 0.00 H ATOM 115 HB3 PRO A 7 -13.366 -16.761 0.160 1.00 0.00 H ATOM 116 HG2 PRO A 7 -14.126 -19.447 1.416 1.00 0.00 H ATOM 117 HG3 PRO A 7 -13.983 -19.057 -0.315 1.00 0.00 H ATOM 118 HD2 PRO A 7 -11.945 -20.298 1.083 1.00 0.00 H ATOM 119 HD3 PRO A 7 -11.586 -19.158 -0.252 1.00 0.00 H ATOM 120 N ARG A 8 -12.044 -16.641 4.461 1.00 0.00 N ATOM 121 CA ARG A 8 -12.293 -16.580 5.935 1.00 0.00 C ATOM 122 C ARG A 8 -13.260 -15.433 6.395 1.00 0.00 C ATOM 123 O ARG A 8 -14.107 -15.668 7.260 1.00 0.00 O ATOM 124 CB ARG A 8 -10.927 -16.509 6.681 1.00 0.00 C ATOM 125 CG ARG A 8 -10.092 -17.816 6.691 1.00 0.00 C ATOM 126 CD ARG A 8 -8.756 -17.662 7.447 1.00 0.00 C ATOM 127 NE ARG A 8 -7.980 -18.939 7.427 1.00 0.00 N ATOM 128 CZ ARG A 8 -7.836 -19.785 8.452 1.00 0.00 C ATOM 129 NH1 ARG A 8 -8.400 -19.622 9.624 1.00 0.00 N ATOM 130 NH2 ARG A 8 -7.091 -20.839 8.280 1.00 0.00 N ATOM 131 H ARG A 8 -11.127 -16.440 4.040 1.00 0.00 H ATOM 132 HA ARG A 8 -12.790 -17.520 6.252 1.00 0.00 H ATOM 133 HB2 ARG A 8 -10.323 -15.675 6.269 1.00 0.00 H ATOM 134 HB3 ARG A 8 -11.112 -16.219 7.735 1.00 0.00 H ATOM 135 HG2 ARG A 8 -10.690 -18.632 7.145 1.00 0.00 H ATOM 136 HG3 ARG A 8 -9.898 -18.141 5.649 1.00 0.00 H ATOM 137 HD2 ARG A 8 -8.150 -16.869 6.962 1.00 0.00 H ATOM 138 HD3 ARG A 8 -8.927 -17.270 8.470 1.00 0.00 H ATOM 139 HE ARG A 8 -7.454 -19.210 6.592 1.00 0.00 H ATOM 140 HH11 ARG A 8 -8.974 -18.782 9.707 1.00 0.00 H ATOM 141 HH12 ARG A 8 -8.225 -20.317 10.352 1.00 0.00 H ATOM 142 HH21 ARG A 8 -6.644 -20.950 7.369 1.00 0.00 H ATOM 143 HH22 ARG A 8 -6.992 -21.473 9.076 1.00 0.00 H ATOM 144 N ARG A 9 -13.136 -14.204 5.854 1.00 0.00 N ATOM 145 CA ARG A 9 -14.099 -13.097 6.123 1.00 0.00 C ATOM 146 C ARG A 9 -15.476 -13.309 5.381 1.00 0.00 C ATOM 147 O ARG A 9 -15.435 -13.636 4.186 1.00 0.00 O ATOM 148 CB ARG A 9 -13.478 -11.756 5.640 1.00 0.00 C ATOM 149 CG ARG A 9 -12.238 -11.215 6.394 1.00 0.00 C ATOM 150 CD ARG A 9 -11.701 -9.874 5.837 1.00 0.00 C ATOM 151 NE ARG A 9 -12.533 -8.698 6.238 1.00 0.00 N ATOM 152 CZ ARG A 9 -12.301 -7.895 7.279 1.00 0.00 C ATOM 153 NH1 ARG A 9 -11.313 -8.065 8.122 1.00 0.00 N ATOM 154 NH2 ARG A 9 -13.101 -6.886 7.472 1.00 0.00 N ATOM 155 H ARG A 9 -12.511 -14.191 5.042 1.00 0.00 H ATOM 156 HA ARG A 9 -14.250 -13.017 7.213 1.00 0.00 H ATOM 157 HB2 ARG A 9 -13.220 -11.872 4.573 1.00 0.00 H ATOM 158 HB3 ARG A 9 -14.261 -10.973 5.659 1.00 0.00 H ATOM 159 HG2 ARG A 9 -12.453 -11.128 7.476 1.00 0.00 H ATOM 160 HG3 ARG A 9 -11.431 -11.970 6.325 1.00 0.00 H ATOM 161 HD2 ARG A 9 -10.636 -9.743 6.116 1.00 0.00 H ATOM 162 HD3 ARG A 9 -11.657 -9.920 4.731 1.00 0.00 H ATOM 163 HE ARG A 9 -13.347 -8.422 5.680 1.00 0.00 H ATOM 164 HH11 ARG A 9 -10.729 -8.879 7.921 1.00 0.00 H ATOM 165 HH12 ARG A 9 -11.202 -7.401 8.890 1.00 0.00 H ATOM 166 HH21 ARG A 9 -13.866 -6.761 6.806 1.00 0.00 H ATOM 167 HH22 ARG A 9 -12.904 -6.285 8.275 1.00 0.00 H ATOM 168 N PRO A 10 -16.695 -13.076 5.968 1.00 0.00 N ATOM 169 CA PRO A 10 -17.982 -13.189 5.217 1.00 0.00 C ATOM 170 C PRO A 10 -18.226 -12.061 4.153 1.00 0.00 C ATOM 171 O PRO A 10 -18.913 -11.066 4.402 1.00 0.00 O ATOM 172 CB PRO A 10 -19.038 -13.258 6.346 1.00 0.00 C ATOM 173 CG PRO A 10 -18.264 -13.615 7.614 1.00 0.00 C ATOM 174 CD PRO A 10 -16.906 -12.942 7.424 1.00 0.00 C ATOM 175 HA PRO A 10 -18.001 -14.169 4.699 1.00 0.00 H ATOM 176 HB2 PRO A 10 -19.550 -12.287 6.492 1.00 0.00 H ATOM 177 HB3 PRO A 10 -19.835 -13.995 6.126 1.00 0.00 H ATOM 178 HG2 PRO A 10 -18.778 -13.287 8.538 1.00 0.00 H ATOM 179 HG3 PRO A 10 -18.134 -14.713 7.690 1.00 0.00 H ATOM 180 HD2 PRO A 10 -16.943 -11.872 7.710 1.00 0.00 H ATOM 181 HD3 PRO A 10 -16.147 -13.443 8.054 1.00 0.00 H ATOM 182 N TYR A 11 -17.632 -12.240 2.961 1.00 0.00 N ATOM 183 CA TYR A 11 -17.766 -11.290 1.813 1.00 0.00 C ATOM 184 C TYR A 11 -18.181 -11.931 0.447 1.00 0.00 C ATOM 185 O TYR A 11 -18.878 -11.266 -0.324 1.00 0.00 O ATOM 186 CB TYR A 11 -16.543 -10.322 1.720 1.00 0.00 C ATOM 187 CG TYR A 11 -15.127 -10.852 1.386 1.00 0.00 C ATOM 188 CD1 TYR A 11 -14.840 -11.436 0.147 1.00 0.00 C ATOM 189 CD2 TYR A 11 -14.077 -10.645 2.289 1.00 0.00 C ATOM 190 CE1 TYR A 11 -13.551 -11.865 -0.158 1.00 0.00 C ATOM 191 CE2 TYR A 11 -12.783 -11.058 1.976 1.00 0.00 C ATOM 192 CZ TYR A 11 -12.523 -11.678 0.761 1.00 0.00 C ATOM 193 OH TYR A 11 -11.251 -12.088 0.467 1.00 0.00 O ATOM 194 H TYR A 11 -16.898 -12.960 3.010 1.00 0.00 H ATOM 195 HA TYR A 11 -18.628 -10.624 2.025 1.00 0.00 H ATOM 196 HB2 TYR A 11 -16.783 -9.539 0.976 1.00 0.00 H ATOM 197 HB3 TYR A 11 -16.512 -9.755 2.671 1.00 0.00 H ATOM 198 HD1 TYR A 11 -15.615 -11.553 -0.597 1.00 0.00 H ATOM 199 HD2 TYR A 11 -14.261 -10.150 3.231 1.00 0.00 H ATOM 200 HE1 TYR A 11 -13.350 -12.329 -1.112 1.00 0.00 H ATOM 201 HE2 TYR A 11 -11.968 -10.895 2.666 1.00 0.00 H ATOM 202 HH TYR A 11 -11.240 -12.459 -0.417 1.00 0.00 H ATOM 203 N ILE A 12 -17.760 -13.171 0.112 1.00 0.00 N ATOM 204 CA ILE A 12 -18.172 -13.852 -1.154 1.00 0.00 C ATOM 205 C ILE A 12 -19.618 -14.445 -1.029 1.00 0.00 C ATOM 206 O ILE A 12 -19.901 -15.247 -0.133 1.00 0.00 O ATOM 207 CB ILE A 12 -17.135 -14.916 -1.672 1.00 0.00 C ATOM 208 CG1 ILE A 12 -16.794 -16.069 -0.681 1.00 0.00 C ATOM 209 CG2 ILE A 12 -15.831 -14.271 -2.204 1.00 0.00 C ATOM 210 CD1 ILE A 12 -16.373 -17.384 -1.360 1.00 0.00 C ATOM 211 H ILE A 12 -17.244 -13.657 0.851 1.00 0.00 H ATOM 212 HA ILE A 12 -18.200 -13.075 -1.947 1.00 0.00 H ATOM 213 HB ILE A 12 -17.615 -15.378 -2.558 1.00 0.00 H ATOM 214 HG12 ILE A 12 -16.017 -15.743 0.037 1.00 0.00 H ATOM 215 HG13 ILE A 12 -17.669 -16.298 -0.046 1.00 0.00 H ATOM 216 HG21 ILE A 12 -15.228 -13.845 -1.384 1.00 0.00 H ATOM 217 HG22 ILE A 12 -16.028 -13.457 -2.925 1.00 0.00 H ATOM 218 HG23 ILE A 12 -15.188 -15.005 -2.723 1.00 0.00 H ATOM 219 HD11 ILE A 12 -16.224 -18.186 -0.615 1.00 0.00 H ATOM 220 HD12 ILE A 12 -15.429 -17.280 -1.927 1.00 0.00 H ATOM 221 HD13 ILE A 12 -17.146 -17.744 -2.064 1.00 0.00 H ATOM 222 N LEU A 13 -20.520 -14.027 -1.930 1.00 0.00 N ATOM 223 CA LEU A 13 -21.924 -14.518 -1.981 1.00 0.00 C ATOM 224 C LEU A 13 -22.271 -14.869 -3.457 1.00 0.00 C ATOM 225 O LEU A 13 -22.204 -13.981 -4.344 1.00 0.00 O ATOM 226 CB LEU A 13 -22.902 -13.456 -1.393 1.00 0.00 C ATOM 227 CG LEU A 13 -22.818 -13.171 0.134 1.00 0.00 C ATOM 228 CD1 LEU A 13 -23.535 -11.855 0.478 1.00 0.00 C ATOM 229 CD2 LEU A 13 -23.415 -14.311 0.979 1.00 0.00 C ATOM 230 OXT LEU A 13 -22.605 -16.044 -3.734 1.00 0.00 O ATOM 231 H LEU A 13 -20.189 -13.361 -2.634 1.00 0.00 H ATOM 232 HA LEU A 13 -22.033 -15.454 -1.399 1.00 0.00 H ATOM 233 HB2 LEU A 13 -22.750 -12.512 -1.954 1.00 0.00 H ATOM 234 HB3 LEU A 13 -23.940 -13.750 -1.638 1.00 0.00 H ATOM 235 HG LEU A 13 -21.752 -13.051 0.415 1.00 0.00 H ATOM 236 HD11 LEU A 13 -23.458 -11.613 1.554 1.00 0.00 H ATOM 237 HD12 LEU A 13 -24.610 -11.888 0.220 1.00 0.00 H ATOM 238 HD13 LEU A 13 -23.094 -11.002 -0.072 1.00 0.00 H ATOM 239 HD21 LEU A 13 -24.488 -14.468 0.764 1.00 0.00 H ATOM 240 HD22 LEU A 13 -22.899 -15.270 0.789 1.00 0.00 H ATOM 241 HD23 LEU A 13 -23.321 -14.110 2.062 1.00 0.00 H TER 242 LEU A 13 ENDMDL MODEL 13 HETATM 1 N PCA A 1 -7.167 -19.097 -11.725 1.00 0.00 N HETATM 2 CA PCA A 1 -6.226 -20.141 -12.170 1.00 0.00 C HETATM 3 CB PCA A 1 -6.252 -19.932 -13.701 1.00 0.00 C HETATM 4 CG PCA A 1 -7.613 -19.277 -13.984 1.00 0.00 C HETATM 5 CD PCA A 1 -7.946 -18.619 -12.663 1.00 0.00 C HETATM 6 OE PCA A 1 -8.813 -17.771 -12.480 1.00 0.00 O HETATM 7 C PCA A 1 -4.813 -20.171 -11.512 1.00 0.00 C HETATM 8 O PCA A 1 -4.356 -21.253 -11.140 1.00 0.00 O HETATM 9 H1 PCA A 1 -7.352 -18.782 -10.766 1.00 0.00 H HETATM 10 HA PCA A 1 -6.695 -21.120 -11.948 1.00 0.00 H HETATM 11 HB2 PCA A 1 -6.108 -20.876 -14.260 1.00 0.00 H HETATM 12 HB3 PCA A 1 -5.442 -19.249 -14.024 1.00 0.00 H HETATM 13 HG2 PCA A 1 -8.391 -20.024 -14.229 1.00 0.00 H HETATM 14 HG3 PCA A 1 -7.575 -18.540 -14.806 1.00 0.00 H ATOM 15 N LEU A 2 -4.118 -19.024 -11.376 1.00 0.00 N ATOM 16 CA LEU A 2 -2.764 -18.966 -10.744 1.00 0.00 C ATOM 17 C LEU A 2 -2.816 -18.880 -9.180 1.00 0.00 C ATOM 18 O LEU A 2 -2.235 -19.738 -8.512 1.00 0.00 O ATOM 19 CB LEU A 2 -1.892 -17.840 -11.382 1.00 0.00 C ATOM 20 CG LEU A 2 -1.302 -18.101 -12.799 1.00 0.00 C ATOM 21 CD1 LEU A 2 -2.314 -17.881 -13.938 1.00 0.00 C ATOM 22 CD2 LEU A 2 -0.086 -17.191 -13.057 1.00 0.00 C ATOM 23 H LEU A 2 -4.600 -18.198 -11.744 1.00 0.00 H ATOM 24 HA LEU A 2 -2.233 -19.918 -10.955 1.00 0.00 H ATOM 25 HB2 LEU A 2 -2.428 -16.871 -11.361 1.00 0.00 H ATOM 26 HB3 LEU A 2 -1.034 -17.680 -10.699 1.00 0.00 H ATOM 27 HG LEU A 2 -0.945 -19.149 -12.848 1.00 0.00 H ATOM 28 HD11 LEU A 2 -2.712 -16.849 -13.952 1.00 0.00 H ATOM 29 HD12 LEU A 2 -3.175 -18.567 -13.864 1.00 0.00 H ATOM 30 HD13 LEU A 2 -1.861 -18.069 -14.930 1.00 0.00 H ATOM 31 HD21 LEU A 2 0.710 -17.346 -12.305 1.00 0.00 H ATOM 32 HD22 LEU A 2 0.375 -17.391 -14.043 1.00 0.00 H ATOM 33 HD23 LEU A 2 -0.353 -16.118 -13.033 1.00 0.00 H ATOM 34 N TYR A 3 -3.476 -17.860 -8.592 1.00 0.00 N ATOM 35 CA TYR A 3 -3.655 -17.754 -7.114 1.00 0.00 C ATOM 36 C TYR A 3 -4.840 -18.626 -6.570 1.00 0.00 C ATOM 37 O TYR A 3 -5.904 -18.716 -7.193 1.00 0.00 O ATOM 38 CB TYR A 3 -3.753 -16.251 -6.703 1.00 0.00 C ATOM 39 CG TYR A 3 -5.044 -15.490 -7.076 1.00 0.00 C ATOM 40 CD1 TYR A 3 -5.171 -14.873 -8.325 1.00 0.00 C ATOM 41 CD2 TYR A 3 -6.123 -15.461 -6.184 1.00 0.00 C ATOM 42 CE1 TYR A 3 -6.369 -14.261 -8.687 1.00 0.00 C ATOM 43 CE2 TYR A 3 -7.320 -14.849 -6.548 1.00 0.00 C ATOM 44 CZ TYR A 3 -7.442 -14.253 -7.801 1.00 0.00 C ATOM 45 OH TYR A 3 -8.622 -13.668 -8.173 1.00 0.00 O ATOM 46 H TYR A 3 -4.013 -17.277 -9.240 1.00 0.00 H ATOM 47 HA TYR A 3 -2.722 -18.126 -6.640 1.00 0.00 H ATOM 48 HB2 TYR A 3 -3.609 -16.185 -5.607 1.00 0.00 H ATOM 49 HB3 TYR A 3 -2.876 -15.706 -7.101 1.00 0.00 H ATOM 50 HD1 TYR A 3 -4.348 -14.882 -9.026 1.00 0.00 H ATOM 51 HD2 TYR A 3 -6.044 -15.940 -5.216 1.00 0.00 H ATOM 52 HE1 TYR A 3 -6.472 -13.800 -9.658 1.00 0.00 H ATOM 53 HE2 TYR A 3 -8.151 -14.851 -5.859 1.00 0.00 H ATOM 54 HH TYR A 3 -9.263 -13.789 -7.470 1.00 0.00 H ATOM 55 N GLU A 4 -4.656 -19.223 -5.380 1.00 0.00 N ATOM 56 CA GLU A 4 -5.709 -20.021 -4.695 1.00 0.00 C ATOM 57 C GLU A 4 -5.757 -19.594 -3.193 1.00 0.00 C ATOM 58 O GLU A 4 -4.817 -19.845 -2.430 1.00 0.00 O ATOM 59 CB GLU A 4 -5.400 -21.528 -4.913 1.00 0.00 C ATOM 60 CG GLU A 4 -6.550 -22.490 -4.524 1.00 0.00 C ATOM 61 CD GLU A 4 -6.210 -23.958 -4.726 1.00 0.00 C ATOM 62 OE1 GLU A 4 -5.567 -24.552 -3.835 1.00 0.00 O ATOM 63 OE2 GLU A 4 -6.602 -24.526 -5.766 1.00 0.00 O ATOM 64 H GLU A 4 -3.736 -19.085 -4.952 1.00 0.00 H ATOM 65 HA GLU A 4 -6.699 -19.823 -5.156 1.00 0.00 H ATOM 66 HB2 GLU A 4 -5.157 -21.706 -5.980 1.00 0.00 H ATOM 67 HB3 GLU A 4 -4.480 -21.806 -4.361 1.00 0.00 H ATOM 68 HG2 GLU A 4 -6.835 -22.366 -3.466 1.00 0.00 H ATOM 69 HG3 GLU A 4 -7.456 -22.278 -5.119 1.00 0.00 H ATOM 70 N ASN A 5 -6.843 -18.919 -2.773 1.00 0.00 N ATOM 71 CA ASN A 5 -7.001 -18.416 -1.377 1.00 0.00 C ATOM 72 C ASN A 5 -8.431 -18.742 -0.839 1.00 0.00 C ATOM 73 O ASN A 5 -9.447 -18.497 -1.499 1.00 0.00 O ATOM 74 CB ASN A 5 -6.705 -16.889 -1.297 1.00 0.00 C ATOM 75 CG ASN A 5 -5.230 -16.494 -1.450 1.00 0.00 C ATOM 76 OD1 ASN A 5 -4.737 -16.227 -2.541 1.00 0.00 O ATOM 77 ND2 ASN A 5 -4.483 -16.425 -0.372 1.00 0.00 N ATOM 78 H ASN A 5 -7.568 -18.784 -3.485 1.00 0.00 H ATOM 79 HA ASN A 5 -6.270 -18.930 -0.715 1.00 0.00 H ATOM 80 HB2 ASN A 5 -7.286 -16.351 -2.069 1.00 0.00 H ATOM 81 HB3 ASN A 5 -7.082 -16.479 -0.341 1.00 0.00 H ATOM 82 HD21 ASN A 5 -4.922 -16.646 0.525 1.00 0.00 H ATOM 83 HD22 ASN A 5 -3.507 -16.176 -0.556 1.00 0.00 H ATOM 84 N LYS A 6 -8.500 -19.276 0.392 1.00 0.00 N ATOM 85 CA LYS A 6 -9.777 -19.682 1.041 1.00 0.00 C ATOM 86 C LYS A 6 -10.462 -18.470 1.784 1.00 0.00 C ATOM 87 O LYS A 6 -9.802 -17.903 2.664 1.00 0.00 O ATOM 88 CB LYS A 6 -9.409 -20.842 2.012 1.00 0.00 C ATOM 89 CG LYS A 6 -10.589 -21.752 2.421 1.00 0.00 C ATOM 90 CD LYS A 6 -10.154 -22.817 3.456 1.00 0.00 C ATOM 91 CE LYS A 6 -11.245 -23.839 3.836 1.00 0.00 C ATOM 92 NZ LYS A 6 -12.251 -23.241 4.758 1.00 0.00 N1+ ATOM 93 H LYS A 6 -7.597 -19.404 0.857 1.00 0.00 H ATOM 94 HA LYS A 6 -10.449 -20.103 0.269 1.00 0.00 H ATOM 95 HB2 LYS A 6 -8.634 -21.496 1.559 1.00 0.00 H ATOM 96 HB3 LYS A 6 -8.922 -20.420 2.915 1.00 0.00 H ATOM 97 HG2 LYS A 6 -11.419 -21.136 2.817 1.00 0.00 H ATOM 98 HG3 LYS A 6 -10.989 -22.250 1.514 1.00 0.00 H ATOM 99 HD2 LYS A 6 -9.292 -23.377 3.040 1.00 0.00 H ATOM 100 HD3 LYS A 6 -9.742 -22.326 4.361 1.00 0.00 H ATOM 101 HE2 LYS A 6 -11.725 -24.248 2.918 1.00 0.00 H ATOM 102 HE3 LYS A 6 -10.765 -24.725 4.311 1.00 0.00 H ATOM 103 HZ1 LYS A 6 -13.000 -23.891 5.032 1.00 0.00 H ATOM 104 HZ2 LYS A 6 -12.716 -22.420 4.351 1.00 0.00 H ATOM 105 HZ3 LYS A 6 -11.828 -22.906 5.635 1.00 0.00 H ATOM 106 N PRO A 7 -11.738 -18.035 1.526 1.00 0.00 N ATOM 107 CA PRO A 7 -12.342 -16.862 2.226 1.00 0.00 C ATOM 108 C PRO A 7 -12.561 -17.031 3.765 1.00 0.00 C ATOM 109 O PRO A 7 -13.259 -17.946 4.212 1.00 0.00 O ATOM 110 CB PRO A 7 -13.662 -16.630 1.462 1.00 0.00 C ATOM 111 CG PRO A 7 -13.443 -17.281 0.097 1.00 0.00 C ATOM 112 CD PRO A 7 -12.567 -18.497 0.393 1.00 0.00 C ATOM 113 HA PRO A 7 -11.688 -15.989 2.029 1.00 0.00 H ATOM 114 HB2 PRO A 7 -14.520 -17.117 1.968 1.00 0.00 H ATOM 115 HB3 PRO A 7 -13.918 -15.556 1.378 1.00 0.00 H ATOM 116 HG2 PRO A 7 -14.394 -17.547 -0.404 1.00 0.00 H ATOM 117 HG3 PRO A 7 -12.907 -16.583 -0.575 1.00 0.00 H ATOM 118 HD2 PRO A 7 -13.182 -19.367 0.697 1.00 0.00 H ATOM 119 HD3 PRO A 7 -11.992 -18.781 -0.510 1.00 0.00 H ATOM 120 N ARG A 8 -11.950 -16.138 4.562 1.00 0.00 N ATOM 121 CA ARG A 8 -12.057 -16.171 6.051 1.00 0.00 C ATOM 122 C ARG A 8 -13.237 -15.296 6.600 1.00 0.00 C ATOM 123 O ARG A 8 -14.126 -15.834 7.264 1.00 0.00 O ATOM 124 CB ARG A 8 -10.649 -15.844 6.630 1.00 0.00 C ATOM 125 CG ARG A 8 -10.491 -16.104 8.148 1.00 0.00 C ATOM 126 CD ARG A 8 -9.090 -15.740 8.675 1.00 0.00 C ATOM 127 NE ARG A 8 -9.032 -16.021 10.135 1.00 0.00 N ATOM 128 CZ ARG A 8 -8.030 -15.690 10.953 1.00 0.00 C ATOM 129 NH1 ARG A 8 -6.940 -15.077 10.559 1.00 0.00 N ATOM 130 NH2 ARG A 8 -8.139 -15.992 12.215 1.00 0.00 N ATOM 131 H ARG A 8 -11.294 -15.527 4.068 1.00 0.00 H ATOM 132 HA ARG A 8 -12.285 -17.210 6.369 1.00 0.00 H ATOM 133 HB2 ARG A 8 -9.890 -16.456 6.101 1.00 0.00 H ATOM 134 HB3 ARG A 8 -10.384 -14.795 6.396 1.00 0.00 H ATOM 135 HG2 ARG A 8 -11.262 -15.533 8.704 1.00 0.00 H ATOM 136 HG3 ARG A 8 -10.707 -17.172 8.356 1.00 0.00 H ATOM 137 HD2 ARG A 8 -8.316 -16.327 8.136 1.00 0.00 H ATOM 138 HD3 ARG A 8 -8.881 -14.671 8.465 1.00 0.00 H ATOM 139 HE ARG A 8 -9.806 -16.505 10.601 1.00 0.00 H ATOM 140 HH11 ARG A 8 -6.903 -14.884 9.557 1.00 0.00 H ATOM 141 HH12 ARG A 8 -6.222 -14.867 11.255 1.00 0.00 H ATOM 142 HH21 ARG A 8 -8.993 -16.472 12.506 1.00 0.00 H ATOM 143 HH22 ARG A 8 -7.363 -15.732 12.827 1.00 0.00 H ATOM 144 N ARG A 9 -13.259 -13.970 6.344 1.00 0.00 N ATOM 145 CA ARG A 9 -14.429 -13.100 6.676 1.00 0.00 C ATOM 146 C ARG A 9 -15.661 -13.276 5.698 1.00 0.00 C ATOM 147 O ARG A 9 -15.442 -13.676 4.548 1.00 0.00 O ATOM 148 CB ARG A 9 -13.916 -11.632 6.832 1.00 0.00 C ATOM 149 CG ARG A 9 -13.455 -10.864 5.560 1.00 0.00 C ATOM 150 CD ARG A 9 -12.898 -9.446 5.812 1.00 0.00 C ATOM 151 NE ARG A 9 -11.515 -9.478 6.371 1.00 0.00 N ATOM 152 CZ ARG A 9 -10.852 -8.424 6.856 1.00 0.00 C ATOM 153 NH1 ARG A 9 -11.357 -7.217 6.932 1.00 0.00 N ATOM 154 NH2 ARG A 9 -9.633 -8.601 7.280 1.00 0.00 N ATOM 155 H ARG A 9 -12.530 -13.672 5.692 1.00 0.00 H ATOM 156 HA ARG A 9 -14.780 -13.405 7.681 1.00 0.00 H ATOM 157 HB2 ARG A 9 -14.716 -11.038 7.312 1.00 0.00 H ATOM 158 HB3 ARG A 9 -13.099 -11.624 7.580 1.00 0.00 H ATOM 159 HG2 ARG A 9 -12.735 -11.463 4.969 1.00 0.00 H ATOM 160 HG3 ARG A 9 -14.334 -10.757 4.898 1.00 0.00 H ATOM 161 HD2 ARG A 9 -12.890 -8.891 4.850 1.00 0.00 H ATOM 162 HD3 ARG A 9 -13.596 -8.890 6.472 1.00 0.00 H ATOM 163 HE ARG A 9 -10.976 -10.347 6.371 1.00 0.00 H ATOM 164 HH11 ARG A 9 -12.311 -7.134 6.576 1.00 0.00 H ATOM 165 HH12 ARG A 9 -10.781 -6.469 7.322 1.00 0.00 H ATOM 166 HH21 ARG A 9 -9.244 -9.541 7.201 1.00 0.00 H ATOM 167 HH22 ARG A 9 -9.145 -7.780 7.645 1.00 0.00 H ATOM 168 N PRO A 10 -16.953 -12.997 6.061 1.00 0.00 N ATOM 169 CA PRO A 10 -18.103 -13.175 5.125 1.00 0.00 C ATOM 170 C PRO A 10 -18.252 -12.008 4.089 1.00 0.00 C ATOM 171 O PRO A 10 -18.718 -10.913 4.418 1.00 0.00 O ATOM 172 CB PRO A 10 -19.287 -13.331 6.101 1.00 0.00 C ATOM 173 CG PRO A 10 -18.896 -12.533 7.347 1.00 0.00 C ATOM 174 CD PRO A 10 -17.376 -12.688 7.444 1.00 0.00 C ATOM 175 HA PRO A 10 -18.004 -14.135 4.579 1.00 0.00 H ATOM 176 HB2 PRO A 10 -20.254 -13.001 5.673 1.00 0.00 H ATOM 177 HB3 PRO A 10 -19.418 -14.399 6.366 1.00 0.00 H ATOM 178 HG2 PRO A 10 -19.166 -11.468 7.210 1.00 0.00 H ATOM 179 HG3 PRO A 10 -19.420 -12.884 8.256 1.00 0.00 H ATOM 180 HD2 PRO A 10 -16.910 -11.764 7.834 1.00 0.00 H ATOM 181 HD3 PRO A 10 -17.116 -13.519 8.129 1.00 0.00 H ATOM 182 N TYR A 11 -17.836 -12.259 2.834 1.00 0.00 N ATOM 183 CA TYR A 11 -17.914 -11.257 1.724 1.00 0.00 C ATOM 184 C TYR A 11 -18.393 -11.878 0.372 1.00 0.00 C ATOM 185 O TYR A 11 -19.446 -11.476 -0.131 1.00 0.00 O ATOM 186 CB TYR A 11 -16.633 -10.365 1.641 1.00 0.00 C ATOM 187 CG TYR A 11 -15.301 -11.005 1.194 1.00 0.00 C ATOM 188 CD1 TYR A 11 -14.542 -11.748 2.099 1.00 0.00 C ATOM 189 CD2 TYR A 11 -14.827 -10.838 -0.113 1.00 0.00 C ATOM 190 CE1 TYR A 11 -13.338 -12.329 1.713 1.00 0.00 C ATOM 191 CE2 TYR A 11 -13.624 -11.422 -0.504 1.00 0.00 C ATOM 192 CZ TYR A 11 -12.879 -12.165 0.408 1.00 0.00 C ATOM 193 OH TYR A 11 -11.693 -12.724 0.019 1.00 0.00 O ATOM 194 H TYR A 11 -17.405 -13.182 2.718 1.00 0.00 H ATOM 195 HA TYR A 11 -18.730 -10.546 1.974 1.00 0.00 H ATOM 196 HB2 TYR A 11 -16.862 -9.506 0.982 1.00 0.00 H ATOM 197 HB3 TYR A 11 -16.482 -9.887 2.628 1.00 0.00 H ATOM 198 HD1 TYR A 11 -14.901 -11.879 3.104 1.00 0.00 H ATOM 199 HD2 TYR A 11 -15.400 -10.268 -0.830 1.00 0.00 H ATOM 200 HE1 TYR A 11 -12.770 -12.906 2.428 1.00 0.00 H ATOM 201 HE2 TYR A 11 -13.265 -11.302 -1.517 1.00 0.00 H ATOM 202 HH TYR A 11 -11.270 -13.127 0.779 1.00 0.00 H ATOM 203 N ILE A 12 -17.658 -12.845 -0.215 1.00 0.00 N ATOM 204 CA ILE A 12 -18.112 -13.591 -1.429 1.00 0.00 C ATOM 205 C ILE A 12 -18.916 -14.868 -1.004 1.00 0.00 C ATOM 206 O ILE A 12 -18.373 -15.775 -0.364 1.00 0.00 O ATOM 207 CB ILE A 12 -16.960 -13.895 -2.456 1.00 0.00 C ATOM 208 CG1 ILE A 12 -15.728 -14.679 -1.907 1.00 0.00 C ATOM 209 CG2 ILE A 12 -16.496 -12.614 -3.198 1.00 0.00 C ATOM 210 CD1 ILE A 12 -14.977 -15.496 -2.976 1.00 0.00 C ATOM 211 H ILE A 12 -16.800 -13.094 0.286 1.00 0.00 H ATOM 212 HA ILE A 12 -18.814 -12.940 -1.992 1.00 0.00 H ATOM 213 HB ILE A 12 -17.428 -14.533 -3.234 1.00 0.00 H ATOM 214 HG12 ILE A 12 -15.028 -13.991 -1.394 1.00 0.00 H ATOM 215 HG13 ILE A 12 -16.048 -15.384 -1.118 1.00 0.00 H ATOM 216 HG21 ILE A 12 -17.340 -12.082 -3.675 1.00 0.00 H ATOM 217 HG22 ILE A 12 -15.771 -12.837 -4.002 1.00 0.00 H ATOM 218 HG23 ILE A 12 -16.008 -11.897 -2.515 1.00 0.00 H ATOM 219 HD11 ILE A 12 -14.129 -16.053 -2.540 1.00 0.00 H ATOM 220 HD12 ILE A 12 -15.639 -16.243 -3.453 1.00 0.00 H ATOM 221 HD13 ILE A 12 -14.564 -14.859 -3.779 1.00 0.00 H ATOM 222 N LEU A 13 -20.212 -14.913 -1.359 1.00 0.00 N ATOM 223 CA LEU A 13 -21.102 -16.077 -1.092 1.00 0.00 C ATOM 224 C LEU A 13 -21.124 -17.025 -2.328 1.00 0.00 C ATOM 225 O LEU A 13 -21.579 -16.615 -3.425 1.00 0.00 O ATOM 226 CB LEU A 13 -22.490 -15.500 -0.670 1.00 0.00 C ATOM 227 CG LEU A 13 -23.530 -16.486 -0.064 1.00 0.00 C ATOM 228 CD1 LEU A 13 -24.598 -15.717 0.738 1.00 0.00 C ATOM 229 CD2 LEU A 13 -24.252 -17.342 -1.122 1.00 0.00 C ATOM 230 OXT LEU A 13 -20.693 -18.195 -2.196 1.00 0.00 O ATOM 231 H LEU A 13 -20.555 -14.112 -1.895 1.00 0.00 H ATOM 232 HA LEU A 13 -20.716 -16.652 -0.227 1.00 0.00 H ATOM 233 HB2 LEU A 13 -22.301 -14.717 0.091 1.00 0.00 H ATOM 234 HB3 LEU A 13 -22.945 -14.954 -1.519 1.00 0.00 H ATOM 235 HG LEU A 13 -23.003 -17.165 0.637 1.00 0.00 H ATOM 236 HD11 LEU A 13 -25.334 -16.398 1.205 1.00 0.00 H ATOM 237 HD12 LEU A 13 -25.163 -15.010 0.101 1.00 0.00 H ATOM 238 HD13 LEU A 13 -24.147 -15.128 1.558 1.00 0.00 H ATOM 239 HD21 LEU A 13 -24.781 -16.718 -1.868 1.00 0.00 H ATOM 240 HD22 LEU A 13 -23.549 -17.983 -1.684 1.00 0.00 H ATOM 241 HD23 LEU A 13 -24.996 -18.022 -0.670 1.00 0.00 H TER 242 LEU A 13 ENDMDL MODEL 14 HETATM 1 N PCA A 1 -2.641 -24.135 -9.972 1.00 0.00 N HETATM 2 CA PCA A 1 -2.333 -23.763 -8.580 1.00 0.00 C HETATM 3 CB PCA A 1 -2.153 -22.232 -8.708 1.00 0.00 C HETATM 4 CG PCA A 1 -2.863 -21.832 -10.011 1.00 0.00 C HETATM 5 CD PCA A 1 -2.946 -23.138 -10.766 1.00 0.00 C HETATM 6 OE PCA A 1 -3.260 -23.270 -11.945 1.00 0.00 O HETATM 7 C PCA A 1 -3.432 -24.208 -7.562 1.00 0.00 C HETATM 8 O PCA A 1 -4.605 -23.849 -7.693 1.00 0.00 O HETATM 9 H1 PCA A 1 -2.775 -25.072 -10.360 1.00 0.00 H HETATM 10 HA PCA A 1 -1.359 -24.212 -8.305 1.00 0.00 H HETATM 11 HB2 PCA A 1 -1.076 -21.988 -8.784 1.00 0.00 H HETATM 12 HB3 PCA A 1 -2.534 -21.665 -7.835 1.00 0.00 H HETATM 13 HG2 PCA A 1 -2.312 -21.064 -10.583 1.00 0.00 H HETATM 14 HG3 PCA A 1 -3.883 -21.448 -9.820 1.00 0.00 H ATOM 15 N LEU A 2 -3.041 -24.987 -6.536 1.00 0.00 N ATOM 16 CA LEU A 2 -3.992 -25.495 -5.500 1.00 0.00 C ATOM 17 C LEU A 2 -4.244 -24.470 -4.340 1.00 0.00 C ATOM 18 O LEU A 2 -5.397 -24.103 -4.096 1.00 0.00 O ATOM 19 CB LEU A 2 -3.546 -26.899 -4.985 1.00 0.00 C ATOM 20 CG LEU A 2 -3.786 -28.122 -5.918 1.00 0.00 C ATOM 21 CD1 LEU A 2 -2.745 -28.259 -7.046 1.00 0.00 C ATOM 22 CD2 LEU A 2 -3.785 -29.430 -5.105 1.00 0.00 C ATOM 23 H LEU A 2 -2.058 -25.270 -6.554 1.00 0.00 H ATOM 24 HA LEU A 2 -4.987 -25.643 -5.968 1.00 0.00 H ATOM 25 HB2 LEU A 2 -2.491 -26.876 -4.650 1.00 0.00 H ATOM 26 HB3 LEU A 2 -4.113 -27.088 -4.051 1.00 0.00 H ATOM 27 HG LEU A 2 -4.788 -28.024 -6.382 1.00 0.00 H ATOM 28 HD11 LEU A 2 -2.946 -29.142 -7.681 1.00 0.00 H ATOM 29 HD12 LEU A 2 -1.716 -28.370 -6.654 1.00 0.00 H ATOM 30 HD13 LEU A 2 -2.748 -27.390 -7.726 1.00 0.00 H ATOM 31 HD21 LEU A 2 -4.557 -29.423 -4.313 1.00 0.00 H ATOM 32 HD22 LEU A 2 -2.812 -29.615 -4.610 1.00 0.00 H ATOM 33 HD23 LEU A 2 -3.999 -30.310 -5.740 1.00 0.00 H ATOM 34 N TYR A 3 -3.197 -24.018 -3.619 1.00 0.00 N ATOM 35 CA TYR A 3 -3.323 -22.956 -2.582 1.00 0.00 C ATOM 36 C TYR A 3 -3.092 -21.541 -3.209 1.00 0.00 C ATOM 37 O TYR A 3 -1.996 -21.237 -3.691 1.00 0.00 O ATOM 38 CB TYR A 3 -2.323 -23.293 -1.438 1.00 0.00 C ATOM 39 CG TYR A 3 -2.448 -22.412 -0.181 1.00 0.00 C ATOM 40 CD1 TYR A 3 -1.709 -21.227 -0.073 1.00 0.00 C ATOM 41 CD2 TYR A 3 -3.298 -22.785 0.867 1.00 0.00 C ATOM 42 CE1 TYR A 3 -1.829 -20.423 1.058 1.00 0.00 C ATOM 43 CE2 TYR A 3 -3.404 -21.985 2.003 1.00 0.00 C ATOM 44 CZ TYR A 3 -2.679 -20.802 2.094 1.00 0.00 C ATOM 45 OH TYR A 3 -2.806 -20.018 3.209 1.00 0.00 O ATOM 46 H TYR A 3 -2.285 -24.316 -3.980 1.00 0.00 H ATOM 47 HA TYR A 3 -4.339 -23.001 -2.135 1.00 0.00 H ATOM 48 HB2 TYR A 3 -2.445 -24.353 -1.140 1.00 0.00 H ATOM 49 HB3 TYR A 3 -1.286 -23.243 -1.824 1.00 0.00 H ATOM 50 HD1 TYR A 3 -1.049 -20.921 -0.873 1.00 0.00 H ATOM 51 HD2 TYR A 3 -3.871 -23.699 0.804 1.00 0.00 H ATOM 52 HE1 TYR A 3 -1.258 -19.508 1.126 1.00 0.00 H ATOM 53 HE2 TYR A 3 -4.038 -22.279 2.825 1.00 0.00 H ATOM 54 HH TYR A 3 -2.223 -19.260 3.121 1.00 0.00 H ATOM 55 N GLU A 4 -4.124 -20.681 -3.161 1.00 0.00 N ATOM 56 CA GLU A 4 -4.046 -19.280 -3.669 1.00 0.00 C ATOM 57 C GLU A 4 -4.723 -18.300 -2.651 1.00 0.00 C ATOM 58 O GLU A 4 -4.018 -17.557 -1.962 1.00 0.00 O ATOM 59 CB GLU A 4 -4.585 -19.255 -5.130 1.00 0.00 C ATOM 60 CG GLU A 4 -4.328 -17.939 -5.904 1.00 0.00 C ATOM 61 CD GLU A 4 -4.859 -17.965 -7.328 1.00 0.00 C ATOM 62 OE1 GLU A 4 -6.061 -17.688 -7.522 1.00 0.00 O ATOM 63 OE2 GLU A 4 -4.074 -18.248 -8.257 1.00 0.00 O ATOM 64 H GLU A 4 -4.995 -21.075 -2.795 1.00 0.00 H ATOM 65 HA GLU A 4 -2.984 -18.964 -3.717 1.00 0.00 H ATOM 66 HB2 GLU A 4 -4.114 -20.078 -5.705 1.00 0.00 H ATOM 67 HB3 GLU A 4 -5.667 -19.490 -5.144 1.00 0.00 H ATOM 68 HG2 GLU A 4 -4.793 -17.077 -5.397 1.00 0.00 H ATOM 69 HG3 GLU A 4 -3.247 -17.721 -5.960 1.00 0.00 H ATOM 70 N ASN A 5 -6.067 -18.308 -2.519 1.00 0.00 N ATOM 71 CA ASN A 5 -6.797 -17.509 -1.495 1.00 0.00 C ATOM 72 C ASN A 5 -7.958 -18.375 -0.897 1.00 0.00 C ATOM 73 O ASN A 5 -8.908 -18.729 -1.602 1.00 0.00 O ATOM 74 CB ASN A 5 -7.278 -16.182 -2.152 1.00 0.00 C ATOM 75 CG ASN A 5 -7.796 -15.123 -1.173 1.00 0.00 C ATOM 76 OD1 ASN A 5 -8.970 -15.073 -0.826 1.00 0.00 O ATOM 77 ND2 ASN A 5 -6.949 -14.238 -0.700 1.00 0.00 N ATOM 78 H ASN A 5 -6.551 -18.896 -3.206 1.00 0.00 H ATOM 79 HA ASN A 5 -6.099 -17.240 -0.675 1.00 0.00 H ATOM 80 HB2 ASN A 5 -6.464 -15.740 -2.760 1.00 0.00 H ATOM 81 HB3 ASN A 5 -8.080 -16.393 -2.883 1.00 0.00 H ATOM 82 HD21 ASN A 5 -5.987 -14.280 -1.048 1.00 0.00 H ATOM 83 HD22 ASN A 5 -7.374 -13.542 -0.083 1.00 0.00 H ATOM 84 N LYS A 6 -7.881 -18.717 0.404 1.00 0.00 N ATOM 85 CA LYS A 6 -8.963 -19.464 1.115 1.00 0.00 C ATOM 86 C LYS A 6 -9.953 -18.462 1.821 1.00 0.00 C ATOM 87 O LYS A 6 -9.490 -17.750 2.721 1.00 0.00 O ATOM 88 CB LYS A 6 -8.337 -20.445 2.153 1.00 0.00 C ATOM 89 CG LYS A 6 -7.585 -21.669 1.568 1.00 0.00 C ATOM 90 CD LYS A 6 -6.953 -22.599 2.634 1.00 0.00 C ATOM 91 CE LYS A 6 -7.893 -23.572 3.379 1.00 0.00 C ATOM 92 NZ LYS A 6 -8.246 -24.745 2.530 1.00 0.00 N1+ ATOM 93 H LYS A 6 -7.090 -18.305 0.909 1.00 0.00 H ATOM 94 HA LYS A 6 -9.519 -20.096 0.397 1.00 0.00 H ATOM 95 HB2 LYS A 6 -7.664 -19.878 2.827 1.00 0.00 H ATOM 96 HB3 LYS A 6 -9.142 -20.814 2.816 1.00 0.00 H ATOM 97 HG2 LYS A 6 -8.244 -22.240 0.885 1.00 0.00 H ATOM 98 HG3 LYS A 6 -6.771 -21.294 0.914 1.00 0.00 H ATOM 99 HD2 LYS A 6 -6.130 -23.172 2.163 1.00 0.00 H ATOM 100 HD3 LYS A 6 -6.430 -21.967 3.379 1.00 0.00 H ATOM 101 HE2 LYS A 6 -7.388 -23.917 4.310 1.00 0.00 H ATOM 102 HE3 LYS A 6 -8.801 -23.041 3.741 1.00 0.00 H ATOM 103 HZ1 LYS A 6 -7.416 -25.266 2.215 1.00 0.00 H ATOM 104 HZ2 LYS A 6 -8.846 -25.435 3.003 1.00 0.00 H ATOM 105 HZ3 LYS A 6 -8.740 -24.476 1.670 1.00 0.00 H ATOM 106 N PRO A 7 -11.288 -18.374 1.515 1.00 0.00 N ATOM 107 CA PRO A 7 -12.208 -17.418 2.200 1.00 0.00 C ATOM 108 C PRO A 7 -12.414 -17.637 3.737 1.00 0.00 C ATOM 109 O PRO A 7 -12.592 -18.767 4.203 1.00 0.00 O ATOM 110 CB PRO A 7 -13.522 -17.569 1.404 1.00 0.00 C ATOM 111 CG PRO A 7 -13.107 -18.133 0.046 1.00 0.00 C ATOM 112 CD PRO A 7 -11.930 -19.054 0.369 1.00 0.00 C ATOM 113 HA PRO A 7 -11.812 -16.398 2.013 1.00 0.00 H ATOM 114 HB2 PRO A 7 -14.218 -18.276 1.899 1.00 0.00 H ATOM 115 HB3 PRO A 7 -14.066 -16.609 1.308 1.00 0.00 H ATOM 116 HG2 PRO A 7 -13.933 -18.659 -0.469 1.00 0.00 H ATOM 117 HG3 PRO A 7 -12.776 -17.316 -0.625 1.00 0.00 H ATOM 118 HD2 PRO A 7 -12.283 -20.060 0.671 1.00 0.00 H ATOM 119 HD3 PRO A 7 -11.279 -19.169 -0.518 1.00 0.00 H ATOM 120 N ARG A 8 -12.379 -16.540 4.513 1.00 0.00 N ATOM 121 CA ARG A 8 -12.600 -16.572 5.996 1.00 0.00 C ATOM 122 C ARG A 8 -13.617 -15.480 6.476 1.00 0.00 C ATOM 123 O ARG A 8 -14.589 -15.826 7.151 1.00 0.00 O ATOM 124 CB ARG A 8 -11.246 -16.525 6.774 1.00 0.00 C ATOM 125 CG ARG A 8 -10.401 -17.828 6.714 1.00 0.00 C ATOM 126 CD ARG A 8 -9.044 -17.787 7.452 1.00 0.00 C ATOM 127 NE ARG A 8 -9.199 -17.921 8.931 1.00 0.00 N ATOM 128 CZ ARG A 8 -8.206 -18.141 9.797 1.00 0.00 C ATOM 129 NH1 ARG A 8 -6.951 -18.286 9.445 1.00 0.00 N ATOM 130 NH2 ARG A 8 -8.495 -18.218 11.065 1.00 0.00 N ATOM 131 H ARG A 8 -12.270 -15.672 3.983 1.00 0.00 H ATOM 132 HA ARG A 8 -13.092 -17.528 6.271 1.00 0.00 H ATOM 133 HB2 ARG A 8 -10.642 -15.670 6.413 1.00 0.00 H ATOM 134 HB3 ARG A 8 -11.451 -16.297 7.838 1.00 0.00 H ATOM 135 HG2 ARG A 8 -11.001 -18.693 7.064 1.00 0.00 H ATOM 136 HG3 ARG A 8 -10.200 -18.059 5.648 1.00 0.00 H ATOM 137 HD2 ARG A 8 -8.420 -18.614 7.056 1.00 0.00 H ATOM 138 HD3 ARG A 8 -8.501 -16.854 7.195 1.00 0.00 H ATOM 139 HE ARG A 8 -10.122 -17.828 9.365 1.00 0.00 H ATOM 140 HH11 ARG A 8 -6.783 -18.210 8.441 1.00 0.00 H ATOM 141 HH12 ARG A 8 -6.257 -18.460 10.174 1.00 0.00 H ATOM 142 HH21 ARG A 8 -9.476 -18.099 11.326 1.00 0.00 H ATOM 143 HH22 ARG A 8 -7.722 -18.389 11.710 1.00 0.00 H ATOM 144 N ARG A 9 -13.415 -14.179 6.165 1.00 0.00 N ATOM 145 CA ARG A 9 -14.394 -13.099 6.506 1.00 0.00 C ATOM 146 C ARG A 9 -15.722 -13.115 5.642 1.00 0.00 C ATOM 147 O ARG A 9 -15.692 -13.662 4.533 1.00 0.00 O ATOM 148 CB ARG A 9 -13.620 -11.741 6.509 1.00 0.00 C ATOM 149 CG ARG A 9 -13.170 -11.144 5.145 1.00 0.00 C ATOM 150 CD ARG A 9 -12.300 -9.869 5.222 1.00 0.00 C ATOM 151 NE ARG A 9 -10.898 -10.141 5.659 1.00 0.00 N ATOM 152 CZ ARG A 9 -9.839 -10.300 4.860 1.00 0.00 C ATOM 153 NH1 ARG A 9 -9.899 -10.275 3.552 1.00 0.00 N ATOM 154 NH2 ARG A 9 -8.675 -10.493 5.414 1.00 0.00 N ATOM 155 H ARG A 9 -12.603 -14.009 5.568 1.00 0.00 H ATOM 156 HA ARG A 9 -14.706 -13.274 7.555 1.00 0.00 H ATOM 157 HB2 ARG A 9 -14.246 -10.984 7.017 1.00 0.00 H ATOM 158 HB3 ARG A 9 -12.740 -11.840 7.174 1.00 0.00 H ATOM 159 HG2 ARG A 9 -12.663 -11.911 4.528 1.00 0.00 H ATOM 160 HG3 ARG A 9 -14.084 -10.882 4.580 1.00 0.00 H ATOM 161 HD2 ARG A 9 -12.334 -9.328 4.254 1.00 0.00 H ATOM 162 HD3 ARG A 9 -12.767 -9.149 5.925 1.00 0.00 H ATOM 163 HE ARG A 9 -10.670 -10.187 6.656 1.00 0.00 H ATOM 164 HH11 ARG A 9 -10.836 -10.124 3.174 1.00 0.00 H ATOM 165 HH12 ARG A 9 -9.034 -10.392 3.021 1.00 0.00 H ATOM 166 HH21 ARG A 9 -8.640 -10.501 6.435 1.00 0.00 H ATOM 167 HH22 ARG A 9 -7.874 -10.606 4.789 1.00 0.00 H ATOM 168 N PRO A 10 -16.899 -12.546 6.060 1.00 0.00 N ATOM 169 CA PRO A 10 -18.144 -12.588 5.237 1.00 0.00 C ATOM 170 C PRO A 10 -18.163 -11.535 4.076 1.00 0.00 C ATOM 171 O PRO A 10 -18.472 -10.357 4.279 1.00 0.00 O ATOM 172 CB PRO A 10 -19.240 -12.401 6.308 1.00 0.00 C ATOM 173 CG PRO A 10 -18.588 -11.571 7.415 1.00 0.00 C ATOM 174 CD PRO A 10 -17.124 -12.019 7.423 1.00 0.00 C ATOM 175 HA PRO A 10 -18.284 -13.600 4.807 1.00 0.00 H ATOM 176 HB2 PRO A 10 -20.162 -11.932 5.913 1.00 0.00 H ATOM 177 HB3 PRO A 10 -19.545 -13.387 6.710 1.00 0.00 H ATOM 178 HG2 PRO A 10 -18.659 -10.494 7.166 1.00 0.00 H ATOM 179 HG3 PRO A 10 -19.082 -11.707 8.395 1.00 0.00 H ATOM 180 HD2 PRO A 10 -16.456 -11.172 7.668 1.00 0.00 H ATOM 181 HD3 PRO A 10 -16.966 -12.810 8.183 1.00 0.00 H ATOM 182 N TYR A 11 -17.818 -11.984 2.856 1.00 0.00 N ATOM 183 CA TYR A 11 -17.792 -11.119 1.634 1.00 0.00 C ATOM 184 C TYR A 11 -18.408 -11.810 0.376 1.00 0.00 C ATOM 185 O TYR A 11 -19.381 -11.291 -0.179 1.00 0.00 O ATOM 186 CB TYR A 11 -16.393 -10.462 1.405 1.00 0.00 C ATOM 187 CG TYR A 11 -15.208 -11.356 0.978 1.00 0.00 C ATOM 188 CD1 TYR A 11 -14.533 -12.116 1.933 1.00 0.00 C ATOM 189 CD2 TYR A 11 -14.787 -11.415 -0.357 1.00 0.00 C ATOM 190 CE1 TYR A 11 -13.457 -12.920 1.575 1.00 0.00 C ATOM 191 CE2 TYR A 11 -13.709 -12.221 -0.721 1.00 0.00 C ATOM 192 CZ TYR A 11 -13.042 -12.970 0.248 1.00 0.00 C ATOM 193 OH TYR A 11 -11.972 -13.758 -0.081 1.00 0.00 O ATOM 194 H TYR A 11 -17.497 -12.958 2.856 1.00 0.00 H ATOM 195 HA TYR A 11 -18.479 -10.266 1.813 1.00 0.00 H ATOM 196 HB2 TYR A 11 -16.519 -9.649 0.665 1.00 0.00 H ATOM 197 HB3 TYR A 11 -16.115 -9.917 2.328 1.00 0.00 H ATOM 198 HD1 TYR A 11 -14.861 -12.089 2.956 1.00 0.00 H ATOM 199 HD2 TYR A 11 -15.306 -10.845 -1.115 1.00 0.00 H ATOM 200 HE1 TYR A 11 -12.945 -13.507 2.322 1.00 0.00 H ATOM 201 HE2 TYR A 11 -13.397 -12.262 -1.754 1.00 0.00 H ATOM 202 HH TYR A 11 -11.773 -13.663 -1.016 1.00 0.00 H ATOM 203 N ILE A 12 -17.879 -12.968 -0.070 1.00 0.00 N ATOM 204 CA ILE A 12 -18.461 -13.750 -1.202 1.00 0.00 C ATOM 205 C ILE A 12 -19.506 -14.785 -0.655 1.00 0.00 C ATOM 206 O ILE A 12 -19.159 -15.909 -0.280 1.00 0.00 O ATOM 207 CB ILE A 12 -17.320 -14.285 -2.145 1.00 0.00 C ATOM 208 CG1 ILE A 12 -17.879 -14.784 -3.511 1.00 0.00 C ATOM 209 CG2 ILE A 12 -16.372 -15.347 -1.523 1.00 0.00 C ATOM 210 CD1 ILE A 12 -16.883 -14.713 -4.684 1.00 0.00 C ATOM 211 H ILE A 12 -17.063 -13.296 0.457 1.00 0.00 H ATOM 212 HA ILE A 12 -19.023 -13.043 -1.848 1.00 0.00 H ATOM 213 HB ILE A 12 -16.688 -13.402 -2.372 1.00 0.00 H ATOM 214 HG12 ILE A 12 -18.272 -15.815 -3.409 1.00 0.00 H ATOM 215 HG13 ILE A 12 -18.763 -14.184 -3.804 1.00 0.00 H ATOM 216 HG21 ILE A 12 -15.932 -15.006 -0.568 1.00 0.00 H ATOM 217 HG22 ILE A 12 -16.895 -16.300 -1.316 1.00 0.00 H ATOM 218 HG23 ILE A 12 -15.525 -15.588 -2.191 1.00 0.00 H ATOM 219 HD11 ILE A 12 -16.523 -13.681 -4.853 1.00 0.00 H ATOM 220 HD12 ILE A 12 -15.996 -15.352 -4.520 1.00 0.00 H ATOM 221 HD13 ILE A 12 -17.353 -15.048 -5.627 1.00 0.00 H ATOM 222 N LEU A 13 -20.782 -14.360 -0.580 1.00 0.00 N ATOM 223 CA LEU A 13 -21.907 -15.205 -0.094 1.00 0.00 C ATOM 224 C LEU A 13 -22.651 -15.846 -1.305 1.00 0.00 C ATOM 225 O LEU A 13 -23.214 -15.113 -2.156 1.00 0.00 O ATOM 226 CB LEU A 13 -22.883 -14.377 0.801 1.00 0.00 C ATOM 227 CG LEU A 13 -22.437 -14.023 2.251 1.00 0.00 C ATOM 228 CD1 LEU A 13 -21.461 -12.836 2.322 1.00 0.00 C ATOM 229 CD2 LEU A 13 -23.657 -13.686 3.130 1.00 0.00 C ATOM 230 OXT LEU A 13 -22.681 -17.096 -1.400 1.00 0.00 O ATOM 231 H LEU A 13 -20.945 -13.399 -0.892 1.00 0.00 H ATOM 232 HA LEU A 13 -21.523 -16.035 0.531 1.00 0.00 H ATOM 233 HB2 LEU A 13 -23.212 -13.465 0.266 1.00 0.00 H ATOM 234 HB3 LEU A 13 -23.810 -14.979 0.886 1.00 0.00 H ATOM 235 HG LEU A 13 -21.941 -14.911 2.690 1.00 0.00 H ATOM 236 HD11 LEU A 13 -21.166 -12.598 3.360 1.00 0.00 H ATOM 237 HD12 LEU A 13 -20.526 -13.052 1.779 1.00 0.00 H ATOM 238 HD13 LEU A 13 -21.888 -11.916 1.880 1.00 0.00 H ATOM 239 HD21 LEU A 13 -24.209 -12.804 2.753 1.00 0.00 H ATOM 240 HD22 LEU A 13 -24.375 -14.526 3.169 1.00 0.00 H ATOM 241 HD23 LEU A 13 -23.367 -13.470 4.175 1.00 0.00 H TER 242 LEU A 13 ENDMDL MODEL 15 HETATM 1 N PCA A 1 6.580 -23.439 -3.419 1.00 0.00 N HETATM 2 CA PCA A 1 5.603 -22.488 -2.867 1.00 0.00 C HETATM 3 CB PCA A 1 5.806 -21.278 -3.806 1.00 0.00 C HETATM 4 CG PCA A 1 7.244 -21.426 -4.332 1.00 0.00 C HETATM 5 CD PCA A 1 7.480 -22.914 -4.214 1.00 0.00 C HETATM 6 OE PCA A 1 8.361 -23.551 -4.780 1.00 0.00 O HETATM 7 C PCA A 1 4.141 -23.026 -2.785 1.00 0.00 C HETATM 8 O PCA A 1 3.555 -23.446 -3.787 1.00 0.00 O HETATM 9 H1 PCA A 1 6.576 -24.461 -3.349 1.00 0.00 H HETATM 10 HA PCA A 1 5.959 -22.203 -1.856 1.00 0.00 H HETATM 11 HB2 PCA A 1 5.097 -21.316 -4.658 1.00 0.00 H HETATM 12 HB3 PCA A 1 5.637 -20.311 -3.297 1.00 0.00 H HETATM 13 HG2 PCA A 1 7.977 -20.886 -3.704 1.00 0.00 H HETATM 14 HG3 PCA A 1 7.361 -21.078 -5.374 1.00 0.00 H ATOM 15 N LEU A 2 3.549 -22.992 -1.577 1.00 0.00 N ATOM 16 CA LEU A 2 2.139 -23.419 -1.342 1.00 0.00 C ATOM 17 C LEU A 2 1.180 -22.199 -1.534 1.00 0.00 C ATOM 18 O LEU A 2 1.240 -21.225 -0.775 1.00 0.00 O ATOM 19 CB LEU A 2 2.097 -24.051 0.085 1.00 0.00 C ATOM 20 CG LEU A 2 0.840 -24.819 0.583 1.00 0.00 C ATOM 21 CD1 LEU A 2 -0.408 -23.944 0.791 1.00 0.00 C ATOM 22 CD2 LEU A 2 0.484 -26.051 -0.267 1.00 0.00 C ATOM 23 H LEU A 2 4.100 -22.553 -0.834 1.00 0.00 H ATOM 24 HA LEU A 2 1.871 -24.223 -2.059 1.00 0.00 H ATOM 25 HB2 LEU A 2 2.940 -24.765 0.173 1.00 0.00 H ATOM 26 HB3 LEU A 2 2.334 -23.266 0.830 1.00 0.00 H ATOM 27 HG LEU A 2 1.105 -25.206 1.588 1.00 0.00 H ATOM 28 HD11 LEU A 2 -0.854 -23.605 -0.162 1.00 0.00 H ATOM 29 HD12 LEU A 2 -0.190 -23.044 1.394 1.00 0.00 H ATOM 30 HD13 LEU A 2 -1.207 -24.500 1.320 1.00 0.00 H ATOM 31 HD21 LEU A 2 1.348 -26.726 -0.403 1.00 0.00 H ATOM 32 HD22 LEU A 2 -0.316 -26.648 0.213 1.00 0.00 H ATOM 33 HD23 LEU A 2 0.109 -25.777 -1.270 1.00 0.00 H ATOM 34 N TYR A 3 0.305 -22.256 -2.553 1.00 0.00 N ATOM 35 CA TYR A 3 -0.699 -21.190 -2.827 1.00 0.00 C ATOM 36 C TYR A 3 -2.129 -21.821 -2.856 1.00 0.00 C ATOM 37 O TYR A 3 -2.450 -22.610 -3.751 1.00 0.00 O ATOM 38 CB TYR A 3 -0.299 -20.475 -4.151 1.00 0.00 C ATOM 39 CG TYR A 3 -1.125 -19.220 -4.486 1.00 0.00 C ATOM 40 CD1 TYR A 3 -0.741 -17.961 -4.009 1.00 0.00 C ATOM 41 CD2 TYR A 3 -2.280 -19.332 -5.266 1.00 0.00 C ATOM 42 CE1 TYR A 3 -1.510 -16.835 -4.300 1.00 0.00 C ATOM 43 CE2 TYR A 3 -3.042 -18.206 -5.561 1.00 0.00 C ATOM 44 CZ TYR A 3 -2.663 -16.959 -5.070 1.00 0.00 C ATOM 45 OH TYR A 3 -3.438 -15.864 -5.336 1.00 0.00 O ATOM 46 H TYR A 3 0.336 -23.119 -3.106 1.00 0.00 H ATOM 47 HA TYR A 3 -0.668 -20.418 -2.029 1.00 0.00 H ATOM 48 HB2 TYR A 3 0.771 -20.192 -4.108 1.00 0.00 H ATOM 49 HB3 TYR A 3 -0.349 -21.194 -4.992 1.00 0.00 H ATOM 50 HD1 TYR A 3 0.151 -17.853 -3.407 1.00 0.00 H ATOM 51 HD2 TYR A 3 -2.604 -20.299 -5.629 1.00 0.00 H ATOM 52 HE1 TYR A 3 -1.216 -15.864 -3.929 1.00 0.00 H ATOM 53 HE2 TYR A 3 -3.938 -18.310 -6.155 1.00 0.00 H ATOM 54 HH TYR A 3 -4.170 -16.144 -5.889 1.00 0.00 H ATOM 55 N GLU A 4 -2.978 -21.451 -1.883 1.00 0.00 N ATOM 56 CA GLU A 4 -4.390 -21.922 -1.798 1.00 0.00 C ATOM 57 C GLU A 4 -5.293 -20.735 -1.330 1.00 0.00 C ATOM 58 O GLU A 4 -5.085 -20.161 -0.254 1.00 0.00 O ATOM 59 CB GLU A 4 -4.527 -23.123 -0.818 1.00 0.00 C ATOM 60 CG GLU A 4 -3.980 -24.483 -1.320 1.00 0.00 C ATOM 61 CD GLU A 4 -4.150 -25.613 -0.316 1.00 0.00 C ATOM 62 OE1 GLU A 4 -5.292 -26.087 -0.133 1.00 0.00 O ATOM 63 OE2 GLU A 4 -3.142 -26.038 0.285 1.00 0.00 O ATOM 64 H GLU A 4 -2.603 -20.783 -1.203 1.00 0.00 H ATOM 65 HA GLU A 4 -4.738 -22.260 -2.796 1.00 0.00 H ATOM 66 HB2 GLU A 4 -4.058 -22.869 0.153 1.00 0.00 H ATOM 67 HB3 GLU A 4 -5.599 -23.272 -0.581 1.00 0.00 H ATOM 68 HG2 GLU A 4 -4.483 -24.792 -2.252 1.00 0.00 H ATOM 69 HG3 GLU A 4 -2.906 -24.411 -1.567 1.00 0.00 H ATOM 70 N ASN A 5 -6.320 -20.379 -2.123 1.00 0.00 N ATOM 71 CA ASN A 5 -7.286 -19.303 -1.757 1.00 0.00 C ATOM 72 C ASN A 5 -8.508 -19.884 -0.969 1.00 0.00 C ATOM 73 O ASN A 5 -9.262 -20.714 -1.488 1.00 0.00 O ATOM 74 CB ASN A 5 -7.754 -18.548 -3.034 1.00 0.00 C ATOM 75 CG ASN A 5 -6.697 -17.685 -3.736 1.00 0.00 C ATOM 76 OD1 ASN A 5 -6.040 -18.110 -4.678 1.00 0.00 O ATOM 77 ND2 ASN A 5 -6.510 -16.451 -3.331 1.00 0.00 N ATOM 78 H ASN A 5 -6.399 -20.916 -2.992 1.00 0.00 H ATOM 79 HA ASN A 5 -6.774 -18.554 -1.116 1.00 0.00 H ATOM 80 HB2 ASN A 5 -8.149 -19.270 -3.774 1.00 0.00 H ATOM 81 HB3 ASN A 5 -8.624 -17.906 -2.796 1.00 0.00 H ATOM 82 HD21 ASN A 5 -7.117 -16.098 -2.587 1.00 0.00 H ATOM 83 HD22 ASN A 5 -5.769 -15.952 -3.832 1.00 0.00 H ATOM 84 N LYS A 6 -8.716 -19.420 0.277 1.00 0.00 N ATOM 85 CA LYS A 6 -9.871 -19.830 1.130 1.00 0.00 C ATOM 86 C LYS A 6 -10.501 -18.562 1.821 1.00 0.00 C ATOM 87 O LYS A 6 -9.797 -17.946 2.632 1.00 0.00 O ATOM 88 CB LYS A 6 -9.466 -20.974 2.115 1.00 0.00 C ATOM 89 CG LYS A 6 -8.361 -20.687 3.169 1.00 0.00 C ATOM 90 CD LYS A 6 -7.990 -21.885 4.075 1.00 0.00 C ATOM 91 CE LYS A 6 -8.967 -22.123 5.245 1.00 0.00 C ATOM 92 NZ LYS A 6 -8.491 -23.265 6.076 1.00 0.00 N1+ ATOM 93 H LYS A 6 -8.012 -18.755 0.613 1.00 0.00 H ATOM 94 HA LYS A 6 -10.648 -20.289 0.490 1.00 0.00 H ATOM 95 HB2 LYS A 6 -10.382 -21.323 2.628 1.00 0.00 H ATOM 96 HB3 LYS A 6 -9.148 -21.843 1.504 1.00 0.00 H ATOM 97 HG2 LYS A 6 -7.448 -20.368 2.627 1.00 0.00 H ATOM 98 HG3 LYS A 6 -8.632 -19.810 3.788 1.00 0.00 H ATOM 99 HD2 LYS A 6 -7.881 -22.797 3.452 1.00 0.00 H ATOM 100 HD3 LYS A 6 -6.974 -21.699 4.476 1.00 0.00 H ATOM 101 HE2 LYS A 6 -9.059 -21.198 5.857 1.00 0.00 H ATOM 102 HE3 LYS A 6 -9.993 -22.312 4.860 1.00 0.00 H ATOM 103 HZ1 LYS A 6 -8.437 -24.143 5.542 1.00 0.00 H ATOM 104 HZ2 LYS A 6 -9.088 -23.466 6.890 1.00 0.00 H ATOM 105 HZ3 LYS A 6 -7.542 -23.119 6.447 1.00 0.00 H ATOM 106 N PRO A 7 -11.774 -18.111 1.575 1.00 0.00 N ATOM 107 CA PRO A 7 -12.346 -16.909 2.252 1.00 0.00 C ATOM 108 C PRO A 7 -12.531 -17.028 3.800 1.00 0.00 C ATOM 109 O PRO A 7 -13.204 -17.938 4.292 1.00 0.00 O ATOM 110 CB PRO A 7 -13.684 -16.697 1.513 1.00 0.00 C ATOM 111 CG PRO A 7 -13.509 -17.390 0.163 1.00 0.00 C ATOM 112 CD PRO A 7 -12.645 -18.609 0.487 1.00 0.00 C ATOM 113 HA PRO A 7 -11.688 -16.051 2.012 1.00 0.00 H ATOM 114 HB2 PRO A 7 -14.529 -17.166 2.057 1.00 0.00 H ATOM 115 HB3 PRO A 7 -13.947 -15.630 1.403 1.00 0.00 H ATOM 116 HG2 PRO A 7 -14.477 -17.659 -0.303 1.00 0.00 H ATOM 117 HG3 PRO A 7 -12.985 -16.723 -0.549 1.00 0.00 H ATOM 118 HD2 PRO A 7 -13.267 -19.451 0.849 1.00 0.00 H ATOM 119 HD3 PRO A 7 -12.102 -18.946 -0.417 1.00 0.00 H ATOM 120 N ARG A 8 -11.919 -16.103 4.560 1.00 0.00 N ATOM 121 CA ARG A 8 -11.988 -16.108 6.053 1.00 0.00 C ATOM 122 C ARG A 8 -13.172 -15.246 6.623 1.00 0.00 C ATOM 123 O ARG A 8 -14.000 -15.778 7.363 1.00 0.00 O ATOM 124 CB ARG A 8 -10.565 -15.756 6.583 1.00 0.00 C ATOM 125 CG ARG A 8 -10.362 -15.927 8.114 1.00 0.00 C ATOM 126 CD ARG A 8 -8.972 -15.510 8.645 1.00 0.00 C ATOM 127 NE ARG A 8 -7.924 -16.530 8.356 1.00 0.00 N ATOM 128 CZ ARG A 8 -6.628 -16.418 8.666 1.00 0.00 C ATOM 129 NH1 ARG A 8 -6.106 -15.365 9.247 1.00 0.00 N ATOM 130 NH2 ARG A 8 -5.834 -17.407 8.377 1.00 0.00 N ATOM 131 H ARG A 8 -11.289 -15.493 4.032 1.00 0.00 H ATOM 132 HA ARG A 8 -12.190 -17.143 6.398 1.00 0.00 H ATOM 133 HB2 ARG A 8 -9.821 -16.395 6.067 1.00 0.00 H ATOM 134 HB3 ARG A 8 -10.300 -14.727 6.278 1.00 0.00 H ATOM 135 HG2 ARG A 8 -11.127 -15.324 8.643 1.00 0.00 H ATOM 136 HG3 ARG A 8 -10.593 -16.968 8.417 1.00 0.00 H ATOM 137 HD2 ARG A 8 -8.688 -14.525 8.224 1.00 0.00 H ATOM 138 HD3 ARG A 8 -9.047 -15.362 9.743 1.00 0.00 H ATOM 139 HE ARG A 8 -8.173 -17.417 7.911 1.00 0.00 H ATOM 140 HH11 ARG A 8 -6.773 -14.626 9.470 1.00 0.00 H ATOM 141 HH12 ARG A 8 -5.103 -15.367 9.447 1.00 0.00 H ATOM 142 HH21 ARG A 8 -6.251 -18.227 7.934 1.00 0.00 H ATOM 143 HH22 ARG A 8 -4.848 -17.300 8.627 1.00 0.00 H ATOM 144 N ARG A 9 -13.255 -13.937 6.302 1.00 0.00 N ATOM 145 CA ARG A 9 -14.438 -13.090 6.658 1.00 0.00 C ATOM 146 C ARG A 9 -15.668 -13.264 5.678 1.00 0.00 C ATOM 147 O ARG A 9 -15.437 -13.596 4.510 1.00 0.00 O ATOM 148 CB ARG A 9 -13.982 -11.604 6.816 1.00 0.00 C ATOM 149 CG ARG A 9 -13.491 -10.800 5.576 1.00 0.00 C ATOM 150 CD ARG A 9 -12.039 -11.021 5.089 1.00 0.00 C ATOM 151 NE ARG A 9 -11.020 -10.339 5.942 1.00 0.00 N ATOM 152 CZ ARG A 9 -10.328 -10.892 6.939 1.00 0.00 C ATOM 153 NH1 ARG A 9 -10.513 -12.115 7.358 1.00 0.00 N ATOM 154 NH2 ARG A 9 -9.426 -10.170 7.540 1.00 0.00 N ATOM 155 H ARG A 9 -12.727 -13.741 5.448 1.00 0.00 H ATOM 156 HA ARG A 9 -14.783 -13.408 7.661 1.00 0.00 H ATOM 157 HB2 ARG A 9 -14.846 -11.046 7.225 1.00 0.00 H ATOM 158 HB3 ARG A 9 -13.241 -11.526 7.633 1.00 0.00 H ATOM 159 HG2 ARG A 9 -14.187 -10.985 4.736 1.00 0.00 H ATOM 160 HG3 ARG A 9 -13.626 -9.719 5.782 1.00 0.00 H ATOM 161 HD2 ARG A 9 -11.811 -12.089 4.913 1.00 0.00 H ATOM 162 HD3 ARG A 9 -11.961 -10.587 4.071 1.00 0.00 H ATOM 163 HE ARG A 9 -10.767 -9.363 5.761 1.00 0.00 H ATOM 164 HH11 ARG A 9 -11.303 -12.584 6.906 1.00 0.00 H ATOM 165 HH12 ARG A 9 -9.976 -12.434 8.164 1.00 0.00 H ATOM 166 HH21 ARG A 9 -9.304 -9.211 7.210 1.00 0.00 H ATOM 167 HH22 ARG A 9 -8.910 -10.604 8.307 1.00 0.00 H ATOM 168 N PRO A 10 -16.966 -13.034 6.058 1.00 0.00 N ATOM 169 CA PRO A 10 -18.115 -13.187 5.120 1.00 0.00 C ATOM 170 C PRO A 10 -18.266 -11.995 4.115 1.00 0.00 C ATOM 171 O PRO A 10 -18.712 -10.900 4.471 1.00 0.00 O ATOM 172 CB PRO A 10 -19.302 -13.358 6.090 1.00 0.00 C ATOM 173 CG PRO A 10 -18.907 -12.585 7.349 1.00 0.00 C ATOM 174 CD PRO A 10 -17.390 -12.763 7.449 1.00 0.00 C ATOM 175 HA PRO A 10 -18.016 -14.136 4.554 1.00 0.00 H ATOM 176 HB2 PRO A 10 -20.266 -13.014 5.666 1.00 0.00 H ATOM 177 HB3 PRO A 10 -19.438 -14.430 6.334 1.00 0.00 H ATOM 178 HG2 PRO A 10 -19.161 -11.513 7.226 1.00 0.00 H ATOM 179 HG3 PRO A 10 -19.441 -12.940 8.251 1.00 0.00 H ATOM 180 HD2 PRO A 10 -16.917 -11.856 7.871 1.00 0.00 H ATOM 181 HD3 PRO A 10 -17.141 -13.617 8.109 1.00 0.00 H ATOM 182 N TYR A 11 -17.877 -12.234 2.853 1.00 0.00 N ATOM 183 CA TYR A 11 -17.977 -11.228 1.749 1.00 0.00 C ATOM 184 C TYR A 11 -18.655 -11.812 0.464 1.00 0.00 C ATOM 185 O TYR A 11 -19.669 -11.285 0.000 1.00 0.00 O ATOM 186 CB TYR A 11 -16.606 -10.502 1.528 1.00 0.00 C ATOM 187 CG TYR A 11 -15.425 -11.286 0.908 1.00 0.00 C ATOM 188 CD1 TYR A 11 -14.579 -12.057 1.709 1.00 0.00 C ATOM 189 CD2 TYR A 11 -15.202 -11.249 -0.475 1.00 0.00 C ATOM 190 CE1 TYR A 11 -13.551 -12.806 1.141 1.00 0.00 C ATOM 191 CE2 TYR A 11 -14.187 -12.012 -1.046 1.00 0.00 C ATOM 192 CZ TYR A 11 -13.364 -12.791 -0.241 1.00 0.00 C ATOM 193 OH TYR A 11 -12.375 -13.544 -0.815 1.00 0.00 O ATOM 194 H TYR A 11 -17.447 -13.155 2.724 1.00 0.00 H ATOM 195 HA TYR A 11 -18.677 -10.428 2.066 1.00 0.00 H ATOM 196 HB2 TYR A 11 -16.797 -9.602 0.912 1.00 0.00 H ATOM 197 HB3 TYR A 11 -16.281 -10.074 2.496 1.00 0.00 H ATOM 198 HD1 TYR A 11 -14.727 -12.083 2.775 1.00 0.00 H ATOM 199 HD2 TYR A 11 -15.838 -10.656 -1.113 1.00 0.00 H ATOM 200 HE1 TYR A 11 -12.912 -13.405 1.771 1.00 0.00 H ATOM 201 HE2 TYR A 11 -14.044 -12.010 -2.118 1.00 0.00 H ATOM 202 HH TYR A 11 -11.896 -14.013 -0.131 1.00 0.00 H ATOM 203 N ILE A 12 -18.082 -12.883 -0.108 1.00 0.00 N ATOM 204 CA ILE A 12 -18.572 -13.559 -1.344 1.00 0.00 C ATOM 205 C ILE A 12 -18.437 -15.084 -1.007 1.00 0.00 C ATOM 206 O ILE A 12 -17.334 -15.640 -1.066 1.00 0.00 O ATOM 207 CB ILE A 12 -17.754 -13.042 -2.593 1.00 0.00 C ATOM 208 CG1 ILE A 12 -18.052 -11.565 -3.010 1.00 0.00 C ATOM 209 CG2 ILE A 12 -17.795 -13.946 -3.849 1.00 0.00 C ATOM 210 CD1 ILE A 12 -19.464 -11.235 -3.536 1.00 0.00 C ATOM 211 H ILE A 12 -17.228 -13.197 0.363 1.00 0.00 H ATOM 212 HA ILE A 12 -19.644 -13.336 -1.521 1.00 0.00 H ATOM 213 HB ILE A 12 -16.689 -13.061 -2.287 1.00 0.00 H ATOM 214 HG12 ILE A 12 -17.857 -10.899 -2.150 1.00 0.00 H ATOM 215 HG13 ILE A 12 -17.311 -11.245 -3.767 1.00 0.00 H ATOM 216 HG21 ILE A 12 -18.808 -14.028 -4.283 1.00 0.00 H ATOM 217 HG22 ILE A 12 -17.124 -13.566 -4.643 1.00 0.00 H ATOM 218 HG23 ILE A 12 -17.451 -14.975 -3.629 1.00 0.00 H ATOM 219 HD11 ILE A 12 -19.554 -10.159 -3.779 1.00 0.00 H ATOM 220 HD12 ILE A 12 -20.249 -11.457 -2.790 1.00 0.00 H ATOM 221 HD13 ILE A 12 -19.708 -11.793 -4.458 1.00 0.00 H ATOM 222 N LEU A 13 -19.548 -15.732 -0.602 1.00 0.00 N ATOM 223 CA LEU A 13 -19.571 -17.182 -0.250 1.00 0.00 C ATOM 224 C LEU A 13 -19.934 -18.047 -1.496 1.00 0.00 C ATOM 225 O LEU A 13 -19.125 -18.927 -1.875 1.00 0.00 O ATOM 226 CB LEU A 13 -20.574 -17.438 0.916 1.00 0.00 C ATOM 227 CG LEU A 13 -20.212 -16.885 2.324 1.00 0.00 C ATOM 228 CD1 LEU A 13 -21.456 -16.875 3.232 1.00 0.00 C ATOM 229 CD2 LEU A 13 -19.104 -17.703 3.013 1.00 0.00 C ATOM 230 OXT LEU A 13 -21.026 -17.863 -2.090 1.00 0.00 O ATOM 231 H LEU A 13 -20.419 -15.200 -0.667 1.00 0.00 H ATOM 232 HA LEU A 13 -18.570 -17.506 0.095 1.00 0.00 H ATOM 233 HB2 LEU A 13 -21.563 -17.046 0.604 1.00 0.00 H ATOM 234 HB3 LEU A 13 -20.743 -18.529 1.010 1.00 0.00 H ATOM 235 HG LEU A 13 -19.863 -15.840 2.215 1.00 0.00 H ATOM 236 HD11 LEU A 13 -22.270 -16.264 2.800 1.00 0.00 H ATOM 237 HD12 LEU A 13 -21.864 -17.892 3.388 1.00 0.00 H ATOM 238 HD13 LEU A 13 -21.237 -16.453 4.231 1.00 0.00 H ATOM 239 HD21 LEU A 13 -18.835 -17.283 4.000 1.00 0.00 H ATOM 240 HD22 LEU A 13 -18.176 -17.727 2.413 1.00 0.00 H ATOM 241 HD23 LEU A 13 -19.408 -18.754 3.179 1.00 0.00 H TER 242 LEU A 13 ENDMDL MODEL 16 HETATM 1 N PCA A 1 -3.319 -26.000 -9.448 1.00 0.00 N HETATM 2 CA PCA A 1 -3.494 -24.612 -8.987 1.00 0.00 C HETATM 3 CB PCA A 1 -4.634 -24.777 -7.955 1.00 0.00 C HETATM 4 CG PCA A 1 -4.633 -26.264 -7.563 1.00 0.00 C HETATM 5 CD PCA A 1 -3.896 -26.915 -8.710 1.00 0.00 C HETATM 6 OE PCA A 1 -3.823 -28.121 -8.925 1.00 0.00 O HETATM 7 C PCA A 1 -2.183 -23.979 -8.418 1.00 0.00 C HETATM 8 O PCA A 1 -1.581 -24.501 -7.475 1.00 0.00 O HETATM 9 H1 PCA A 1 -2.706 -26.345 -10.192 1.00 0.00 H HETATM 10 HA PCA A 1 -3.870 -24.005 -9.835 1.00 0.00 H HETATM 11 HB2 PCA A 1 -4.535 -24.110 -7.076 1.00 0.00 H HETATM 12 HB3 PCA A 1 -5.603 -24.520 -8.426 1.00 0.00 H HETATM 13 HG2 PCA A 1 -5.650 -26.680 -7.447 1.00 0.00 H HETATM 14 HG3 PCA A 1 -4.078 -26.441 -6.624 1.00 0.00 H ATOM 15 N LEU A 2 -1.751 -22.840 -8.991 1.00 0.00 N ATOM 16 CA LEU A 2 -0.512 -22.130 -8.548 1.00 0.00 C ATOM 17 C LEU A 2 -0.731 -21.198 -7.306 1.00 0.00 C ATOM 18 O LEU A 2 -0.065 -21.386 -6.286 1.00 0.00 O ATOM 19 CB LEU A 2 0.090 -21.418 -9.797 1.00 0.00 C ATOM 20 CG LEU A 2 1.520 -20.831 -9.643 1.00 0.00 C ATOM 21 CD1 LEU A 2 2.609 -21.921 -9.644 1.00 0.00 C ATOM 22 CD2 LEU A 2 1.815 -19.834 -10.777 1.00 0.00 C ATOM 23 H LEU A 2 -2.322 -22.504 -9.771 1.00 0.00 H ATOM 24 HA LEU A 2 0.228 -22.891 -8.228 1.00 0.00 H ATOM 25 HB2 LEU A 2 0.098 -22.113 -10.661 1.00 0.00 H ATOM 26 HB3 LEU A 2 -0.604 -20.611 -10.103 1.00 0.00 H ATOM 27 HG LEU A 2 1.585 -20.274 -8.686 1.00 0.00 H ATOM 28 HD11 LEU A 2 2.626 -22.493 -10.591 1.00 0.00 H ATOM 29 HD12 LEU A 2 3.618 -21.490 -9.509 1.00 0.00 H ATOM 30 HD13 LEU A 2 2.470 -22.651 -8.826 1.00 0.00 H ATOM 31 HD21 LEU A 2 1.779 -20.311 -11.775 1.00 0.00 H ATOM 32 HD22 LEU A 2 1.089 -19.000 -10.788 1.00 0.00 H ATOM 33 HD23 LEU A 2 2.816 -19.376 -10.671 1.00 0.00 H ATOM 34 N TYR A 3 -1.635 -20.200 -7.388 1.00 0.00 N ATOM 35 CA TYR A 3 -1.994 -19.320 -6.241 1.00 0.00 C ATOM 36 C TYR A 3 -3.550 -19.255 -6.115 1.00 0.00 C ATOM 37 O TYR A 3 -4.236 -18.776 -7.025 1.00 0.00 O ATOM 38 CB TYR A 3 -1.338 -17.926 -6.465 1.00 0.00 C ATOM 39 CG TYR A 3 -1.427 -16.962 -5.267 1.00 0.00 C ATOM 40 CD1 TYR A 3 -0.427 -16.960 -4.287 1.00 0.00 C ATOM 41 CD2 TYR A 3 -2.506 -16.078 -5.145 1.00 0.00 C ATOM 42 CE1 TYR A 3 -0.507 -16.088 -3.203 1.00 0.00 C ATOM 43 CE2 TYR A 3 -2.586 -15.210 -4.057 1.00 0.00 C ATOM 44 CZ TYR A 3 -1.585 -15.215 -3.089 1.00 0.00 C ATOM 45 OH TYR A 3 -1.654 -14.363 -2.020 1.00 0.00 O ATOM 46 H TYR A 3 -2.159 -20.174 -8.268 1.00 0.00 H ATOM 47 HA TYR A 3 -1.576 -19.734 -5.299 1.00 0.00 H ATOM 48 HB2 TYR A 3 -0.270 -18.062 -6.728 1.00 0.00 H ATOM 49 HB3 TYR A 3 -1.772 -17.448 -7.365 1.00 0.00 H ATOM 50 HD1 TYR A 3 0.413 -17.636 -4.362 1.00 0.00 H ATOM 51 HD2 TYR A 3 -3.291 -16.071 -5.889 1.00 0.00 H ATOM 52 HE1 TYR A 3 0.266 -16.087 -2.448 1.00 0.00 H ATOM 53 HE2 TYR A 3 -3.425 -14.536 -3.972 1.00 0.00 H ATOM 54 HH TYR A 3 -2.462 -13.850 -2.079 1.00 0.00 H ATOM 55 N GLU A 4 -4.093 -19.710 -4.974 1.00 0.00 N ATOM 56 CA GLU A 4 -5.542 -19.591 -4.647 1.00 0.00 C ATOM 57 C GLU A 4 -5.721 -19.161 -3.153 1.00 0.00 C ATOM 58 O GLU A 4 -5.071 -19.692 -2.247 1.00 0.00 O ATOM 59 CB GLU A 4 -6.335 -20.863 -5.080 1.00 0.00 C ATOM 60 CG GLU A 4 -5.968 -22.256 -4.491 1.00 0.00 C ATOM 61 CD GLU A 4 -6.446 -22.564 -3.077 1.00 0.00 C ATOM 62 OE1 GLU A 4 -7.672 -22.562 -2.838 1.00 0.00 O ATOM 63 OE2 GLU A 4 -5.596 -22.859 -2.211 1.00 0.00 O ATOM 64 H GLU A 4 -3.436 -20.081 -4.279 1.00 0.00 H ATOM 65 HA GLU A 4 -5.967 -18.771 -5.262 1.00 0.00 H ATOM 66 HB2 GLU A 4 -7.416 -20.685 -4.915 1.00 0.00 H ATOM 67 HB3 GLU A 4 -6.247 -20.939 -6.181 1.00 0.00 H ATOM 68 HG2 GLU A 4 -6.410 -23.045 -5.122 1.00 0.00 H ATOM 69 HG3 GLU A 4 -4.878 -22.426 -4.534 1.00 0.00 H ATOM 70 N ASN A 5 -6.574 -18.150 -2.896 1.00 0.00 N ATOM 71 CA ASN A 5 -6.858 -17.669 -1.515 1.00 0.00 C ATOM 72 C ASN A 5 -8.141 -18.348 -0.928 1.00 0.00 C ATOM 73 O ASN A 5 -9.204 -18.385 -1.555 1.00 0.00 O ATOM 74 CB ASN A 5 -6.950 -16.119 -1.545 1.00 0.00 C ATOM 75 CG ASN A 5 -6.916 -15.454 -0.163 1.00 0.00 C ATOM 76 OD1 ASN A 5 -5.862 -15.219 0.415 1.00 0.00 O ATOM 77 ND2 ASN A 5 -8.049 -15.150 0.423 1.00 0.00 N ATOM 78 H ASN A 5 -7.070 -17.789 -3.716 1.00 0.00 H ATOM 79 HA ASN A 5 -5.988 -17.918 -0.869 1.00 0.00 H ATOM 80 HB2 ASN A 5 -6.085 -15.709 -2.101 1.00 0.00 H ATOM 81 HB3 ASN A 5 -7.838 -15.789 -2.117 1.00 0.00 H ATOM 82 HD21 ASN A 5 -8.896 -15.520 -0.018 1.00 0.00 H ATOM 83 HD22 ASN A 5 -7.927 -14.837 1.389 1.00 0.00 H ATOM 84 N LYS A 6 -8.034 -18.824 0.321 1.00 0.00 N ATOM 85 CA LYS A 6 -9.141 -19.514 1.033 1.00 0.00 C ATOM 86 C LYS A 6 -10.076 -18.484 1.780 1.00 0.00 C ATOM 87 O LYS A 6 -9.548 -17.749 2.626 1.00 0.00 O ATOM 88 CB LYS A 6 -8.447 -20.514 2.004 1.00 0.00 C ATOM 89 CG LYS A 6 -9.341 -21.678 2.482 1.00 0.00 C ATOM 90 CD LYS A 6 -8.618 -22.564 3.519 1.00 0.00 C ATOM 91 CE LYS A 6 -9.470 -23.773 3.937 1.00 0.00 C ATOM 92 NZ LYS A 6 -8.743 -24.577 4.958 1.00 0.00 N1+ ATOM 93 H LYS A 6 -7.109 -18.704 0.746 1.00 0.00 H ATOM 94 HA LYS A 6 -9.715 -20.114 0.302 1.00 0.00 H ATOM 95 HB2 LYS A 6 -7.557 -20.969 1.519 1.00 0.00 H ATOM 96 HB3 LYS A 6 -8.042 -19.958 2.873 1.00 0.00 H ATOM 97 HG2 LYS A 6 -10.286 -21.282 2.905 1.00 0.00 H ATOM 98 HG3 LYS A 6 -9.635 -22.285 1.601 1.00 0.00 H ATOM 99 HD2 LYS A 6 -7.648 -22.903 3.098 1.00 0.00 H ATOM 100 HD3 LYS A 6 -8.357 -21.943 4.401 1.00 0.00 H ATOM 101 HE2 LYS A 6 -10.454 -23.428 4.329 1.00 0.00 H ATOM 102 HE3 LYS A 6 -9.714 -24.392 3.044 1.00 0.00 H ATOM 103 HZ1 LYS A 6 -8.519 -24.031 5.801 1.00 0.00 H ATOM 104 HZ2 LYS A 6 -9.266 -25.401 5.281 1.00 0.00 H ATOM 105 HZ3 LYS A 6 -7.841 -24.929 4.610 1.00 0.00 H ATOM 106 N PRO A 7 -11.424 -18.371 1.555 1.00 0.00 N ATOM 107 CA PRO A 7 -12.277 -17.368 2.262 1.00 0.00 C ATOM 108 C PRO A 7 -12.402 -17.532 3.813 1.00 0.00 C ATOM 109 O PRO A 7 -12.568 -18.644 4.324 1.00 0.00 O ATOM 110 CB PRO A 7 -13.638 -17.498 1.548 1.00 0.00 C ATOM 111 CG PRO A 7 -13.315 -18.111 0.186 1.00 0.00 C ATOM 112 CD PRO A 7 -12.146 -19.057 0.464 1.00 0.00 C ATOM 113 HA PRO A 7 -11.863 -16.368 2.024 1.00 0.00 H ATOM 114 HB2 PRO A 7 -14.326 -18.170 2.100 1.00 0.00 H ATOM 115 HB3 PRO A 7 -14.159 -16.525 1.456 1.00 0.00 H ATOM 116 HG2 PRO A 7 -14.184 -18.626 -0.265 1.00 0.00 H ATOM 117 HG3 PRO A 7 -13.003 -17.321 -0.525 1.00 0.00 H ATOM 118 HD2 PRO A 7 -12.507 -20.047 0.806 1.00 0.00 H ATOM 119 HD3 PRO A 7 -11.549 -19.208 -0.456 1.00 0.00 H ATOM 120 N ARG A 8 -12.321 -16.408 4.547 1.00 0.00 N ATOM 121 CA ARG A 8 -12.410 -16.395 6.040 1.00 0.00 C ATOM 122 C ARG A 8 -13.503 -15.400 6.561 1.00 0.00 C ATOM 123 O ARG A 8 -14.452 -15.844 7.211 1.00 0.00 O ATOM 124 CB ARG A 8 -10.979 -16.187 6.620 1.00 0.00 C ATOM 125 CG ARG A 8 -10.838 -16.471 8.139 1.00 0.00 C ATOM 126 CD ARG A 8 -9.412 -16.289 8.702 1.00 0.00 C ATOM 127 NE ARG A 8 -9.083 -14.847 8.887 1.00 0.00 N ATOM 128 CZ ARG A 8 -7.935 -14.373 9.376 1.00 0.00 C ATOM 129 NH1 ARG A 8 -6.923 -15.130 9.724 1.00 0.00 N ATOM 130 NH2 ARG A 8 -7.810 -13.085 9.519 1.00 0.00 N ATOM 131 H ARG A 8 -12.196 -15.559 3.991 1.00 0.00 H ATOM 132 HA ARG A 8 -12.750 -17.391 6.392 1.00 0.00 H ATOM 133 HB2 ARG A 8 -10.279 -16.864 6.087 1.00 0.00 H ATOM 134 HB3 ARG A 8 -10.619 -15.169 6.382 1.00 0.00 H ATOM 135 HG2 ARG A 8 -11.565 -15.871 8.723 1.00 0.00 H ATOM 136 HG3 ARG A 8 -11.147 -17.520 8.323 1.00 0.00 H ATOM 137 HD2 ARG A 8 -9.348 -16.818 9.677 1.00 0.00 H ATOM 138 HD3 ARG A 8 -8.677 -16.790 8.038 1.00 0.00 H ATOM 139 HE ARG A 8 -9.778 -14.129 8.670 1.00 0.00 H ATOM 140 HH11 ARG A 8 -7.079 -16.131 9.590 1.00 0.00 H ATOM 141 HH12 ARG A 8 -6.080 -14.683 10.090 1.00 0.00 H ATOM 142 HH21 ARG A 8 -8.611 -12.509 9.255 1.00 0.00 H ATOM 143 HH22 ARG A 8 -6.925 -12.742 9.898 1.00 0.00 H ATOM 144 N ARG A 9 -13.396 -14.077 6.302 1.00 0.00 N ATOM 145 CA ARG A 9 -14.473 -13.095 6.652 1.00 0.00 C ATOM 146 C ARG A 9 -15.737 -13.158 5.701 1.00 0.00 C ATOM 147 O ARG A 9 -15.568 -13.560 4.543 1.00 0.00 O ATOM 148 CB ARG A 9 -13.834 -11.676 6.792 1.00 0.00 C ATOM 149 CG ARG A 9 -13.376 -10.944 5.498 1.00 0.00 C ATOM 150 CD ARG A 9 -12.472 -9.706 5.693 1.00 0.00 C ATOM 151 NE ARG A 9 -13.238 -8.521 6.177 1.00 0.00 N ATOM 152 CZ ARG A 9 -12.781 -7.266 6.215 1.00 0.00 C ATOM 153 NH1 ARG A 9 -11.575 -6.916 5.837 1.00 0.00 N ATOM 154 NH2 ARG A 9 -13.576 -6.331 6.652 1.00 0.00 N ATOM 155 H ARG A 9 -12.610 -13.830 5.696 1.00 0.00 H ATOM 156 HA ARG A 9 -14.813 -13.368 7.667 1.00 0.00 H ATOM 157 HB2 ARG A 9 -14.556 -11.024 7.320 1.00 0.00 H ATOM 158 HB3 ARG A 9 -12.980 -11.748 7.493 1.00 0.00 H ATOM 159 HG2 ARG A 9 -12.828 -11.662 4.858 1.00 0.00 H ATOM 160 HG3 ARG A 9 -14.262 -10.663 4.896 1.00 0.00 H ATOM 161 HD2 ARG A 9 -11.639 -9.945 6.385 1.00 0.00 H ATOM 162 HD3 ARG A 9 -11.995 -9.478 4.716 1.00 0.00 H ATOM 163 HE ARG A 9 -14.206 -8.624 6.495 1.00 0.00 H ATOM 164 HH11 ARG A 9 -10.996 -7.685 5.496 1.00 0.00 H ATOM 165 HH12 ARG A 9 -11.315 -5.929 5.890 1.00 0.00 H ATOM 166 HH21 ARG A 9 -14.514 -6.614 6.940 1.00 0.00 H ATOM 167 HH22 ARG A 9 -13.209 -5.377 6.670 1.00 0.00 H ATOM 168 N PRO A 10 -16.998 -12.770 6.079 1.00 0.00 N ATOM 169 CA PRO A 10 -18.165 -12.822 5.146 1.00 0.00 C ATOM 170 C PRO A 10 -18.155 -11.719 4.034 1.00 0.00 C ATOM 171 O PRO A 10 -18.402 -10.539 4.305 1.00 0.00 O ATOM 172 CB PRO A 10 -19.385 -12.738 6.093 1.00 0.00 C ATOM 173 CG PRO A 10 -18.845 -13.087 7.480 1.00 0.00 C ATOM 174 CD PRO A 10 -17.421 -12.533 7.475 1.00 0.00 C ATOM 175 HA PRO A 10 -18.192 -13.826 4.675 1.00 0.00 H ATOM 176 HB2 PRO A 10 -19.821 -11.719 6.116 1.00 0.00 H ATOM 177 HB3 PRO A 10 -20.203 -13.415 5.783 1.00 0.00 H ATOM 178 HG2 PRO A 10 -19.464 -12.673 8.298 1.00 0.00 H ATOM 179 HG3 PRO A 10 -18.826 -14.187 7.618 1.00 0.00 H ATOM 180 HD2 PRO A 10 -17.414 -11.447 7.698 1.00 0.00 H ATOM 181 HD3 PRO A 10 -16.815 -13.043 8.245 1.00 0.00 H ATOM 182 N TYR A 11 -17.851 -12.112 2.784 1.00 0.00 N ATOM 183 CA TYR A 11 -17.829 -11.181 1.612 1.00 0.00 C ATOM 184 C TYR A 11 -18.393 -11.826 0.303 1.00 0.00 C ATOM 185 O TYR A 11 -19.368 -11.306 -0.246 1.00 0.00 O ATOM 186 CB TYR A 11 -16.463 -10.439 1.455 1.00 0.00 C ATOM 187 CG TYR A 11 -15.210 -11.258 1.081 1.00 0.00 C ATOM 188 CD1 TYR A 11 -14.476 -11.906 2.075 1.00 0.00 C ATOM 189 CD2 TYR A 11 -14.790 -11.362 -0.250 1.00 0.00 C ATOM 190 CE1 TYR A 11 -13.358 -12.669 1.753 1.00 0.00 C ATOM 191 CE2 TYR A 11 -13.674 -12.130 -0.577 1.00 0.00 C ATOM 192 CZ TYR A 11 -12.959 -12.783 0.422 1.00 0.00 C ATOM 193 OH TYR A 11 -11.862 -13.533 0.095 1.00 0.00 O ATOM 194 H TYR A 11 -17.585 -13.100 2.714 1.00 0.00 H ATOM 195 HA TYR A 11 -18.560 -10.373 1.822 1.00 0.00 H ATOM 196 HB2 TYR A 11 -16.598 -9.626 0.716 1.00 0.00 H ATOM 197 HB3 TYR A 11 -16.263 -9.889 2.394 1.00 0.00 H ATOM 198 HD1 TYR A 11 -14.792 -11.823 3.099 1.00 0.00 H ATOM 199 HD2 TYR A 11 -15.343 -10.863 -1.033 1.00 0.00 H ATOM 200 HE1 TYR A 11 -12.812 -13.173 2.536 1.00 0.00 H ATOM 201 HE2 TYR A 11 -13.361 -12.224 -1.608 1.00 0.00 H ATOM 202 HH TYR A 11 -11.429 -13.818 0.901 1.00 0.00 H ATOM 203 N ILE A 12 -17.816 -12.938 -0.199 1.00 0.00 N ATOM 204 CA ILE A 12 -18.388 -13.700 -1.353 1.00 0.00 C ATOM 205 C ILE A 12 -19.449 -14.737 -0.848 1.00 0.00 C ATOM 206 O ILE A 12 -19.132 -15.634 -0.059 1.00 0.00 O ATOM 207 CB ILE A 12 -17.302 -14.341 -2.294 1.00 0.00 C ATOM 208 CG1 ILE A 12 -16.276 -15.300 -1.614 1.00 0.00 C ATOM 209 CG2 ILE A 12 -16.563 -13.274 -3.141 1.00 0.00 C ATOM 210 CD1 ILE A 12 -15.693 -16.368 -2.557 1.00 0.00 C ATOM 211 H ILE A 12 -17.010 -13.281 0.333 1.00 0.00 H ATOM 212 HA ILE A 12 -18.924 -12.977 -2.003 1.00 0.00 H ATOM 213 HB ILE A 12 -17.876 -14.949 -3.023 1.00 0.00 H ATOM 214 HG12 ILE A 12 -15.458 -14.722 -1.142 1.00 0.00 H ATOM 215 HG13 ILE A 12 -16.757 -15.834 -0.773 1.00 0.00 H ATOM 216 HG21 ILE A 12 -15.895 -13.730 -3.895 1.00 0.00 H ATOM 217 HG22 ILE A 12 -17.265 -12.623 -3.695 1.00 0.00 H ATOM 218 HG23 ILE A 12 -15.937 -12.614 -2.517 1.00 0.00 H ATOM 219 HD11 ILE A 12 -16.489 -16.997 -2.998 1.00 0.00 H ATOM 220 HD12 ILE A 12 -15.121 -15.924 -3.392 1.00 0.00 H ATOM 221 HD13 ILE A 12 -15.008 -17.049 -2.022 1.00 0.00 H ATOM 222 N LEU A 13 -20.705 -14.593 -1.306 1.00 0.00 N ATOM 223 CA LEU A 13 -21.817 -15.519 -0.962 1.00 0.00 C ATOM 224 C LEU A 13 -21.911 -16.697 -1.982 1.00 0.00 C ATOM 225 O LEU A 13 -22.114 -16.458 -3.198 1.00 0.00 O ATOM 226 CB LEU A 13 -23.118 -14.664 -0.886 1.00 0.00 C ATOM 227 CG LEU A 13 -24.368 -15.357 -0.277 1.00 0.00 C ATOM 228 CD1 LEU A 13 -24.286 -15.471 1.257 1.00 0.00 C ATOM 229 CD2 LEU A 13 -25.646 -14.589 -0.655 1.00 0.00 C ATOM 230 OXT LEU A 13 -21.791 -17.871 -1.558 1.00 0.00 O ATOM 231 H LEU A 13 -20.856 -13.817 -1.956 1.00 0.00 H ATOM 232 HA LEU A 13 -21.638 -15.948 0.043 1.00 0.00 H ATOM 233 HB2 LEU A 13 -22.931 -13.730 -0.321 1.00 0.00 H ATOM 234 HB3 LEU A 13 -23.354 -14.322 -1.914 1.00 0.00 H ATOM 235 HG LEU A 13 -24.449 -16.378 -0.702 1.00 0.00 H ATOM 236 HD11 LEU A 13 -24.221 -14.479 1.743 1.00 0.00 H ATOM 237 HD12 LEU A 13 -23.400 -16.049 1.578 1.00 0.00 H ATOM 238 HD13 LEU A 13 -25.169 -15.985 1.678 1.00 0.00 H ATOM 239 HD21 LEU A 13 -26.554 -15.077 -0.254 1.00 0.00 H ATOM 240 HD22 LEU A 13 -25.634 -13.549 -0.278 1.00 0.00 H ATOM 241 HD23 LEU A 13 -25.773 -14.536 -1.753 1.00 0.00 H TER 242 LEU A 13 ENDMDL MODEL 17 HETATM 1 N PCA A 1 2.773 -26.061 -8.902 1.00 0.00 N HETATM 2 CA PCA A 1 1.898 -25.781 -7.753 1.00 0.00 C HETATM 3 CB PCA A 1 2.848 -24.966 -6.849 1.00 0.00 C HETATM 4 CG PCA A 1 4.261 -25.409 -7.262 1.00 0.00 C HETATM 5 CD PCA A 1 4.051 -25.868 -8.687 1.00 0.00 C HETATM 6 OE PCA A 1 4.927 -26.024 -9.531 1.00 0.00 O HETATM 7 C PCA A 1 0.562 -25.066 -8.111 1.00 0.00 C HETATM 8 O PCA A 1 0.557 -23.986 -8.710 1.00 0.00 O HETATM 9 H1 PCA A 1 2.499 -26.259 -9.869 1.00 0.00 H HETATM 10 HA PCA A 1 1.689 -26.750 -7.255 1.00 0.00 H HETATM 11 HB2 PCA A 1 2.735 -23.878 -7.035 1.00 0.00 H HETATM 12 HB3 PCA A 1 2.650 -25.122 -5.772 1.00 0.00 H HETATM 13 HG2 PCA A 1 4.629 -26.255 -6.654 1.00 0.00 H HETATM 14 HG3 PCA A 1 5.004 -24.593 -7.204 1.00 0.00 H ATOM 15 N LEU A 2 -0.577 -25.664 -7.720 1.00 0.00 N ATOM 16 CA LEU A 2 -1.925 -25.060 -7.929 1.00 0.00 C ATOM 17 C LEU A 2 -2.318 -24.216 -6.673 1.00 0.00 C ATOM 18 O LEU A 2 -2.489 -24.757 -5.575 1.00 0.00 O ATOM 19 CB LEU A 2 -2.916 -26.213 -8.273 1.00 0.00 C ATOM 20 CG LEU A 2 -4.277 -25.813 -8.912 1.00 0.00 C ATOM 21 CD1 LEU A 2 -4.911 -27.019 -9.630 1.00 0.00 C ATOM 22 CD2 LEU A 2 -5.299 -25.273 -7.895 1.00 0.00 C ATOM 23 H LEU A 2 -0.458 -26.516 -7.163 1.00 0.00 H ATOM 24 HA LEU A 2 -1.895 -24.401 -8.821 1.00 0.00 H ATOM 25 HB2 LEU A 2 -2.406 -26.887 -8.992 1.00 0.00 H ATOM 26 HB3 LEU A 2 -3.089 -26.848 -7.382 1.00 0.00 H ATOM 27 HG LEU A 2 -4.099 -25.029 -9.676 1.00 0.00 H ATOM 28 HD11 LEU A 2 -5.132 -27.850 -8.933 1.00 0.00 H ATOM 29 HD12 LEU A 2 -5.863 -26.748 -10.123 1.00 0.00 H ATOM 30 HD13 LEU A 2 -4.252 -27.421 -10.421 1.00 0.00 H ATOM 31 HD21 LEU A 2 -6.261 -25.005 -8.373 1.00 0.00 H ATOM 32 HD22 LEU A 2 -4.953 -24.352 -7.396 1.00 0.00 H ATOM 33 HD23 LEU A 2 -5.529 -26.007 -7.100 1.00 0.00 H ATOM 34 N TYR A 3 -2.453 -22.888 -6.839 1.00 0.00 N ATOM 35 CA TYR A 3 -2.838 -21.970 -5.730 1.00 0.00 C ATOM 36 C TYR A 3 -4.388 -21.917 -5.515 1.00 0.00 C ATOM 37 O TYR A 3 -5.149 -21.727 -6.469 1.00 0.00 O ATOM 38 CB TYR A 3 -2.236 -20.571 -6.051 1.00 0.00 C ATOM 39 CG TYR A 3 -2.288 -19.562 -4.888 1.00 0.00 C ATOM 40 CD1 TYR A 3 -1.246 -19.501 -3.957 1.00 0.00 C ATOM 41 CD2 TYR A 3 -3.390 -18.710 -4.739 1.00 0.00 C ATOM 42 CE1 TYR A 3 -1.307 -18.607 -2.889 1.00 0.00 C ATOM 43 CE2 TYR A 3 -3.449 -17.820 -3.670 1.00 0.00 C ATOM 44 CZ TYR A 3 -2.413 -17.770 -2.745 1.00 0.00 C ATOM 45 OH TYR A 3 -2.486 -16.896 -1.694 1.00 0.00 O ATOM 46 H TYR A 3 -2.325 -22.555 -7.799 1.00 0.00 H ATOM 47 HA TYR A 3 -2.351 -22.329 -4.799 1.00 0.00 H ATOM 48 HB2 TYR A 3 -1.180 -20.679 -6.371 1.00 0.00 H ATOM 49 HB3 TYR A 3 -2.740 -20.144 -6.941 1.00 0.00 H ATOM 50 HD1 TYR A 3 -0.387 -20.151 -4.056 1.00 0.00 H ATOM 51 HD2 TYR A 3 -4.212 -18.752 -5.441 1.00 0.00 H ATOM 52 HE1 TYR A 3 -0.495 -18.569 -2.178 1.00 0.00 H ATOM 53 HE2 TYR A 3 -4.297 -17.161 -3.561 1.00 0.00 H ATOM 54 HH TYR A 3 -1.655 -16.922 -1.215 1.00 0.00 H ATOM 55 N GLU A 4 -4.824 -22.028 -4.249 1.00 0.00 N ATOM 56 CA GLU A 4 -6.256 -21.891 -3.857 1.00 0.00 C ATOM 57 C GLU A 4 -6.355 -20.906 -2.649 1.00 0.00 C ATOM 58 O GLU A 4 -5.781 -21.143 -1.578 1.00 0.00 O ATOM 59 CB GLU A 4 -6.859 -23.280 -3.494 1.00 0.00 C ATOM 60 CG GLU A 4 -7.144 -24.231 -4.687 1.00 0.00 C ATOM 61 CD GLU A 4 -8.383 -23.910 -5.516 1.00 0.00 C ATOM 62 OE1 GLU A 4 -8.388 -22.894 -6.240 1.00 0.00 O ATOM 63 OE2 GLU A 4 -9.350 -24.698 -5.460 1.00 0.00 O ATOM 64 H GLU A 4 -4.089 -22.115 -3.542 1.00 0.00 H ATOM 65 HA GLU A 4 -6.852 -21.480 -4.699 1.00 0.00 H ATOM 66 HB2 GLU A 4 -6.192 -23.790 -2.773 1.00 0.00 H ATOM 67 HB3 GLU A 4 -7.808 -23.142 -2.939 1.00 0.00 H ATOM 68 HG2 GLU A 4 -6.282 -24.261 -5.374 1.00 0.00 H ATOM 69 HG3 GLU A 4 -7.263 -25.265 -4.320 1.00 0.00 H ATOM 70 N ASN A 5 -7.102 -19.799 -2.814 1.00 0.00 N ATOM 71 CA ASN A 5 -7.350 -18.825 -1.716 1.00 0.00 C ATOM 72 C ASN A 5 -8.670 -19.180 -0.953 1.00 0.00 C ATOM 73 O ASN A 5 -9.763 -19.130 -1.523 1.00 0.00 O ATOM 74 CB ASN A 5 -7.356 -17.399 -2.329 1.00 0.00 C ATOM 75 CG ASN A 5 -7.279 -16.267 -1.298 1.00 0.00 C ATOM 76 OD1 ASN A 5 -8.283 -15.789 -0.784 1.00 0.00 O ATOM 77 ND2 ASN A 5 -6.101 -15.805 -0.949 1.00 0.00 N ATOM 78 H ASN A 5 -7.598 -19.754 -3.711 1.00 0.00 H ATOM 79 HA ASN A 5 -6.494 -18.859 -1.008 1.00 0.00 H ATOM 80 HB2 ASN A 5 -6.529 -17.281 -3.054 1.00 0.00 H ATOM 81 HB3 ASN A 5 -8.271 -17.251 -2.932 1.00 0.00 H ATOM 82 HD21 ASN A 5 -5.276 -16.193 -1.417 1.00 0.00 H ATOM 83 HD22 ASN A 5 -6.146 -15.016 -0.299 1.00 0.00 H ATOM 84 N LYS A 6 -8.554 -19.524 0.341 1.00 0.00 N ATOM 85 CA LYS A 6 -9.718 -19.833 1.216 1.00 0.00 C ATOM 86 C LYS A 6 -10.307 -18.537 1.898 1.00 0.00 C ATOM 87 O LYS A 6 -9.585 -17.935 2.704 1.00 0.00 O ATOM 88 CB LYS A 6 -9.350 -20.984 2.206 1.00 0.00 C ATOM 89 CG LYS A 6 -8.325 -20.764 3.356 1.00 0.00 C ATOM 90 CD LYS A 6 -6.836 -20.805 2.940 1.00 0.00 C ATOM 91 CE LYS A 6 -5.887 -20.625 4.138 1.00 0.00 C ATOM 92 NZ LYS A 6 -4.470 -20.648 3.679 1.00 0.00 N1+ ATOM 93 H LYS A 6 -7.597 -19.517 0.697 1.00 0.00 H ATOM 94 HA LYS A 6 -10.506 -20.288 0.586 1.00 0.00 H ATOM 95 HB2 LYS A 6 -10.299 -21.301 2.681 1.00 0.00 H ATOM 96 HB3 LYS A 6 -9.051 -21.878 1.623 1.00 0.00 H ATOM 97 HG2 LYS A 6 -8.556 -19.822 3.890 1.00 0.00 H ATOM 98 HG3 LYS A 6 -8.499 -21.554 4.115 1.00 0.00 H ATOM 99 HD2 LYS A 6 -6.631 -21.763 2.421 1.00 0.00 H ATOM 100 HD3 LYS A 6 -6.641 -20.012 2.194 1.00 0.00 H ATOM 101 HE2 LYS A 6 -6.116 -19.666 4.656 1.00 0.00 H ATOM 102 HE3 LYS A 6 -6.073 -21.413 4.902 1.00 0.00 H ATOM 103 HZ1 LYS A 6 -4.217 -21.538 3.230 1.00 0.00 H ATOM 104 HZ2 LYS A 6 -3.789 -20.507 4.438 1.00 0.00 H ATOM 105 HZ3 LYS A 6 -4.270 -19.921 2.980 1.00 0.00 H ATOM 106 N PRO A 7 -11.569 -18.057 1.652 1.00 0.00 N ATOM 107 CA PRO A 7 -12.105 -16.827 2.309 1.00 0.00 C ATOM 108 C PRO A 7 -12.353 -16.937 3.849 1.00 0.00 C ATOM 109 O PRO A 7 -13.088 -17.819 4.303 1.00 0.00 O ATOM 110 CB PRO A 7 -13.409 -16.558 1.524 1.00 0.00 C ATOM 111 CG PRO A 7 -13.233 -17.278 0.189 1.00 0.00 C ATOM 112 CD PRO A 7 -12.444 -18.533 0.557 1.00 0.00 C ATOM 113 HA PRO A 7 -11.400 -16.000 2.094 1.00 0.00 H ATOM 114 HB2 PRO A 7 -14.293 -16.974 2.048 1.00 0.00 H ATOM 115 HB3 PRO A 7 -13.610 -15.480 1.392 1.00 0.00 H ATOM 116 HG2 PRO A 7 -14.197 -17.506 -0.305 1.00 0.00 H ATOM 117 HG3 PRO A 7 -12.650 -16.651 -0.515 1.00 0.00 H ATOM 118 HD2 PRO A 7 -13.115 -19.336 0.922 1.00 0.00 H ATOM 119 HD3 PRO A 7 -11.911 -18.916 -0.332 1.00 0.00 H ATOM 120 N ARG A 8 -11.749 -16.035 4.649 1.00 0.00 N ATOM 121 CA ARG A 8 -11.907 -16.045 6.138 1.00 0.00 C ATOM 122 C ARG A 8 -13.160 -15.270 6.675 1.00 0.00 C ATOM 123 O ARG A 8 -13.997 -15.877 7.348 1.00 0.00 O ATOM 124 CB ARG A 8 -10.554 -15.726 6.845 1.00 0.00 C ATOM 125 CG ARG A 8 -9.957 -14.297 6.710 1.00 0.00 C ATOM 126 CD ARG A 8 -8.602 -14.079 7.418 1.00 0.00 C ATOM 127 NE ARG A 8 -8.765 -13.932 8.894 1.00 0.00 N ATOM 128 CZ ARG A 8 -7.827 -13.493 9.737 1.00 0.00 C ATOM 129 NH1 ARG A 8 -6.613 -13.162 9.367 1.00 0.00 N ATOM 130 NH2 ARG A 8 -8.131 -13.386 10.999 1.00 0.00 N ATOM 131 H ARG A 8 -11.078 -15.435 4.163 1.00 0.00 H ATOM 132 HA ARG A 8 -12.105 -17.095 6.440 1.00 0.00 H ATOM 133 HB2 ARG A 8 -10.670 -15.966 7.920 1.00 0.00 H ATOM 134 HB3 ARG A 8 -9.803 -16.459 6.489 1.00 0.00 H ATOM 135 HG2 ARG A 8 -9.820 -14.077 5.633 1.00 0.00 H ATOM 136 HG3 ARG A 8 -10.681 -13.535 7.059 1.00 0.00 H ATOM 137 HD2 ARG A 8 -7.906 -14.910 7.178 1.00 0.00 H ATOM 138 HD3 ARG A 8 -8.138 -13.166 6.990 1.00 0.00 H ATOM 139 HE ARG A 8 -9.660 -14.152 9.340 1.00 0.00 H ATOM 140 HH11 ARG A 8 -6.432 -13.272 8.368 1.00 0.00 H ATOM 141 HH12 ARG A 8 -5.959 -12.831 10.079 1.00 0.00 H ATOM 142 HH21 ARG A 8 -9.080 -13.646 11.273 1.00 0.00 H ATOM 143 HH22 ARG A 8 -7.400 -13.046 11.627 1.00 0.00 H ATOM 144 N ARG A 9 -13.307 -13.958 6.400 1.00 0.00 N ATOM 145 CA ARG A 9 -14.540 -13.186 6.755 1.00 0.00 C ATOM 146 C ARG A 9 -15.702 -13.354 5.704 1.00 0.00 C ATOM 147 O ARG A 9 -15.399 -13.602 4.530 1.00 0.00 O ATOM 148 CB ARG A 9 -14.142 -11.706 7.066 1.00 0.00 C ATOM 149 CG ARG A 9 -13.640 -10.770 5.927 1.00 0.00 C ATOM 150 CD ARG A 9 -14.717 -10.054 5.077 1.00 0.00 C ATOM 151 NE ARG A 9 -15.421 -8.945 5.789 1.00 0.00 N ATOM 152 CZ ARG A 9 -15.104 -7.649 5.731 1.00 0.00 C ATOM 153 NH1 ARG A 9 -14.090 -7.173 5.051 1.00 0.00 N ATOM 154 NH2 ARG A 9 -15.844 -6.806 6.391 1.00 0.00 N ATOM 155 H ARG A 9 -12.626 -13.609 5.721 1.00 0.00 H ATOM 156 HA ARG A 9 -14.920 -13.597 7.711 1.00 0.00 H ATOM 157 HB2 ARG A 9 -14.981 -11.209 7.588 1.00 0.00 H ATOM 158 HB3 ARG A 9 -13.354 -11.739 7.845 1.00 0.00 H ATOM 159 HG2 ARG A 9 -12.970 -10.004 6.365 1.00 0.00 H ATOM 160 HG3 ARG A 9 -12.977 -11.348 5.253 1.00 0.00 H ATOM 161 HD2 ARG A 9 -14.270 -9.709 4.123 1.00 0.00 H ATOM 162 HD3 ARG A 9 -15.476 -10.788 4.745 1.00 0.00 H ATOM 163 HE ARG A 9 -16.255 -9.143 6.350 1.00 0.00 H ATOM 164 HH11 ARG A 9 -13.542 -7.879 4.558 1.00 0.00 H ATOM 165 HH12 ARG A 9 -13.931 -6.163 5.055 1.00 0.00 H ATOM 166 HH21 ARG A 9 -16.631 -7.192 6.917 1.00 0.00 H ATOM 167 HH22 ARG A 9 -15.590 -5.817 6.337 1.00 0.00 H ATOM 168 N PRO A 10 -17.024 -13.199 6.023 1.00 0.00 N ATOM 169 CA PRO A 10 -18.109 -13.335 5.009 1.00 0.00 C ATOM 170 C PRO A 10 -18.201 -12.112 4.035 1.00 0.00 C ATOM 171 O PRO A 10 -18.620 -11.014 4.416 1.00 0.00 O ATOM 172 CB PRO A 10 -19.353 -13.562 5.893 1.00 0.00 C ATOM 173 CG PRO A 10 -19.045 -12.859 7.217 1.00 0.00 C ATOM 174 CD PRO A 10 -17.535 -13.033 7.400 1.00 0.00 C ATOM 175 HA PRO A 10 -17.955 -14.264 4.422 1.00 0.00 H ATOM 176 HB2 PRO A 10 -20.292 -13.203 5.430 1.00 0.00 H ATOM 177 HB3 PRO A 10 -19.493 -14.647 6.072 1.00 0.00 H ATOM 178 HG2 PRO A 10 -19.302 -11.785 7.140 1.00 0.00 H ATOM 179 HG3 PRO A 10 -19.627 -13.271 8.063 1.00 0.00 H ATOM 180 HD2 PRO A 10 -17.098 -12.160 7.919 1.00 0.00 H ATOM 181 HD3 PRO A 10 -17.317 -13.934 8.008 1.00 0.00 H ATOM 182 N TYR A 11 -17.765 -12.319 2.781 1.00 0.00 N ATOM 183 CA TYR A 11 -17.803 -11.279 1.708 1.00 0.00 C ATOM 184 C TYR A 11 -18.413 -11.798 0.365 1.00 0.00 C ATOM 185 O TYR A 11 -19.385 -11.211 -0.117 1.00 0.00 O ATOM 186 CB TYR A 11 -16.439 -10.530 1.573 1.00 0.00 C ATOM 187 CG TYR A 11 -15.208 -11.300 1.043 1.00 0.00 C ATOM 188 CD1 TYR A 11 -14.934 -11.334 -0.329 1.00 0.00 C ATOM 189 CD2 TYR A 11 -14.350 -11.970 1.922 1.00 0.00 C ATOM 190 CE1 TYR A 11 -13.845 -12.055 -0.813 1.00 0.00 C ATOM 191 CE2 TYR A 11 -13.252 -12.677 1.440 1.00 0.00 C ATOM 192 CZ TYR A 11 -13.006 -12.727 0.071 1.00 0.00 C ATOM 193 OH TYR A 11 -11.946 -13.442 -0.419 1.00 0.00 O ATOM 194 H TYR A 11 -17.348 -13.245 2.638 1.00 0.00 H ATOM 195 HA TYR A 11 -18.523 -10.494 2.020 1.00 0.00 H ATOM 196 HB2 TYR A 11 -16.601 -9.641 0.934 1.00 0.00 H ATOM 197 HB3 TYR A 11 -16.197 -10.083 2.554 1.00 0.00 H ATOM 198 HD1 TYR A 11 -15.585 -10.827 -1.027 1.00 0.00 H ATOM 199 HD2 TYR A 11 -14.538 -11.955 2.981 1.00 0.00 H ATOM 200 HE1 TYR A 11 -13.652 -12.100 -1.875 1.00 0.00 H ATOM 201 HE2 TYR A 11 -12.607 -13.198 2.133 1.00 0.00 H ATOM 202 HH TYR A 11 -11.426 -13.788 0.308 1.00 0.00 H ATOM 203 N ILE A 12 -17.868 -12.872 -0.243 1.00 0.00 N ATOM 204 CA ILE A 12 -18.416 -13.465 -1.501 1.00 0.00 C ATOM 205 C ILE A 12 -19.479 -14.565 -1.156 1.00 0.00 C ATOM 206 O ILE A 12 -19.152 -15.739 -0.960 1.00 0.00 O ATOM 207 CB ILE A 12 -17.250 -13.851 -2.485 1.00 0.00 C ATOM 208 CG1 ILE A 12 -17.772 -14.134 -3.926 1.00 0.00 C ATOM 209 CG2 ILE A 12 -16.316 -14.997 -2.009 1.00 0.00 C ATOM 210 CD1 ILE A 12 -16.746 -13.892 -5.049 1.00 0.00 C ATOM 211 H ILE A 12 -17.050 -13.265 0.230 1.00 0.00 H ATOM 212 HA ILE A 12 -18.955 -12.661 -2.045 1.00 0.00 H ATOM 213 HB ILE A 12 -16.614 -12.945 -2.560 1.00 0.00 H ATOM 214 HG12 ILE A 12 -18.170 -15.166 -3.992 1.00 0.00 H ATOM 215 HG13 ILE A 12 -18.647 -13.492 -4.148 1.00 0.00 H ATOM 216 HG21 ILE A 12 -15.453 -15.136 -2.687 1.00 0.00 H ATOM 217 HG22 ILE A 12 -16.842 -15.968 -1.960 1.00 0.00 H ATOM 218 HG23 ILE A 12 -15.896 -14.803 -1.005 1.00 0.00 H ATOM 219 HD11 ILE A 12 -17.191 -14.078 -6.044 1.00 0.00 H ATOM 220 HD12 ILE A 12 -15.864 -14.553 -4.962 1.00 0.00 H ATOM 221 HD13 ILE A 12 -16.379 -12.849 -5.052 1.00 0.00 H ATOM 222 N LEU A 13 -20.751 -14.138 -1.049 1.00 0.00 N ATOM 223 CA LEU A 13 -21.903 -15.025 -0.728 1.00 0.00 C ATOM 224 C LEU A 13 -22.573 -15.522 -2.044 1.00 0.00 C ATOM 225 O LEU A 13 -23.108 -14.698 -2.827 1.00 0.00 O ATOM 226 CB LEU A 13 -22.838 -14.227 0.235 1.00 0.00 C ATOM 227 CG LEU A 13 -23.989 -15.003 0.939 1.00 0.00 C ATOM 228 CD1 LEU A 13 -24.480 -14.235 2.182 1.00 0.00 C ATOM 229 CD2 LEU A 13 -25.206 -15.255 0.028 1.00 0.00 C ATOM 230 OXT LEU A 13 -22.577 -16.752 -2.288 1.00 0.00 O ATOM 231 H LEU A 13 -20.885 -13.132 -1.184 1.00 0.00 H ATOM 232 HA LEU A 13 -21.545 -15.912 -0.169 1.00 0.00 H ATOM 233 HB2 LEU A 13 -22.197 -13.798 1.032 1.00 0.00 H ATOM 234 HB3 LEU A 13 -23.252 -13.343 -0.289 1.00 0.00 H ATOM 235 HG LEU A 13 -23.596 -15.982 1.279 1.00 0.00 H ATOM 236 HD11 LEU A 13 -24.884 -13.239 1.920 1.00 0.00 H ATOM 237 HD12 LEU A 13 -23.664 -14.072 2.911 1.00 0.00 H ATOM 238 HD13 LEU A 13 -25.278 -14.782 2.718 1.00 0.00 H ATOM 239 HD21 LEU A 13 -26.015 -15.794 0.554 1.00 0.00 H ATOM 240 HD22 LEU A 13 -24.944 -15.874 -0.849 1.00 0.00 H ATOM 241 HD23 LEU A 13 -25.633 -14.313 -0.363 1.00 0.00 H TER 242 LEU A 13 ENDMDL MODEL 18 HETATM 1 N PCA A 1 5.236 -23.036 -6.990 1.00 0.00 N HETATM 2 CA PCA A 1 4.183 -23.013 -5.962 1.00 0.00 C HETATM 3 CB PCA A 1 4.941 -22.391 -4.765 1.00 0.00 C HETATM 4 CG PCA A 1 6.157 -21.669 -5.368 1.00 0.00 C HETATM 5 CD PCA A 1 6.303 -22.325 -6.721 1.00 0.00 C HETATM 6 OE PCA A 1 7.262 -22.208 -7.476 1.00 0.00 O HETATM 7 C PCA A 1 2.906 -22.229 -6.403 1.00 0.00 C HETATM 8 O PCA A 1 2.964 -21.035 -6.718 1.00 0.00 O HETATM 9 H1 PCA A 1 5.197 -23.454 -7.925 1.00 0.00 H HETATM 10 HA PCA A 1 3.917 -24.058 -5.707 1.00 0.00 H HETATM 11 HB2 PCA A 1 5.286 -23.195 -4.086 1.00 0.00 H HETATM 12 HB3 PCA A 1 4.315 -21.716 -4.149 1.00 0.00 H HETATM 13 HG2 PCA A 1 5.969 -20.589 -5.505 1.00 0.00 H HETATM 14 HG3 PCA A 1 7.073 -21.787 -4.762 1.00 0.00 H ATOM 15 N LEU A 2 1.743 -22.904 -6.401 1.00 0.00 N ATOM 16 CA LEU A 2 0.439 -22.270 -6.743 1.00 0.00 C ATOM 17 C LEU A 2 -0.228 -21.677 -5.458 1.00 0.00 C ATOM 18 O LEU A 2 -0.596 -22.418 -4.540 1.00 0.00 O ATOM 19 CB LEU A 2 -0.431 -23.351 -7.448 1.00 0.00 C ATOM 20 CG LEU A 2 -1.739 -22.856 -8.125 1.00 0.00 C ATOM 21 CD1 LEU A 2 -1.474 -22.107 -9.446 1.00 0.00 C ATOM 22 CD2 LEU A 2 -2.676 -24.043 -8.408 1.00 0.00 C ATOM 23 H LEU A 2 1.792 -23.862 -6.042 1.00 0.00 H ATOM 24 HA LEU A 2 0.611 -21.460 -7.481 1.00 0.00 H ATOM 25 HB2 LEU A 2 0.169 -23.885 -8.212 1.00 0.00 H ATOM 26 HB3 LEU A 2 -0.680 -24.131 -6.701 1.00 0.00 H ATOM 27 HG LEU A 2 -2.273 -22.172 -7.434 1.00 0.00 H ATOM 28 HD11 LEU A 2 -0.834 -21.218 -9.303 1.00 0.00 H ATOM 29 HD12 LEU A 2 -2.414 -21.746 -9.903 1.00 0.00 H ATOM 30 HD13 LEU A 2 -0.976 -22.750 -10.197 1.00 0.00 H ATOM 31 HD21 LEU A 2 -2.224 -24.781 -9.098 1.00 0.00 H ATOM 32 HD22 LEU A 2 -2.942 -24.582 -7.480 1.00 0.00 H ATOM 33 HD23 LEU A 2 -3.631 -23.713 -8.860 1.00 0.00 H ATOM 34 N TYR A 3 -0.377 -20.342 -5.394 1.00 0.00 N ATOM 35 CA TYR A 3 -1.025 -19.659 -4.238 1.00 0.00 C ATOM 36 C TYR A 3 -2.580 -19.613 -4.404 1.00 0.00 C ATOM 37 O TYR A 3 -3.091 -19.073 -5.391 1.00 0.00 O ATOM 38 CB TYR A 3 -0.387 -18.246 -4.100 1.00 0.00 C ATOM 39 CG TYR A 3 -0.788 -17.475 -2.827 1.00 0.00 C ATOM 40 CD1 TYR A 3 -0.055 -17.625 -1.645 1.00 0.00 C ATOM 41 CD2 TYR A 3 -1.906 -16.631 -2.836 1.00 0.00 C ATOM 42 CE1 TYR A 3 -0.438 -16.948 -0.489 1.00 0.00 C ATOM 43 CE2 TYR A 3 -2.287 -15.955 -1.679 1.00 0.00 C ATOM 44 CZ TYR A 3 -1.554 -16.115 -0.507 1.00 0.00 C ATOM 45 OH TYR A 3 -1.924 -15.447 0.630 1.00 0.00 O ATOM 46 H TYR A 3 -0.068 -19.828 -6.224 1.00 0.00 H ATOM 47 HA TYR A 3 -0.769 -20.213 -3.311 1.00 0.00 H ATOM 48 HB2 TYR A 3 0.717 -18.332 -4.126 1.00 0.00 H ATOM 49 HB3 TYR A 3 -0.629 -17.640 -4.996 1.00 0.00 H ATOM 50 HD1 TYR A 3 0.813 -18.270 -1.617 1.00 0.00 H ATOM 51 HD2 TYR A 3 -2.493 -16.514 -3.737 1.00 0.00 H ATOM 52 HE1 TYR A 3 0.131 -17.062 0.422 1.00 0.00 H ATOM 53 HE2 TYR A 3 -3.155 -15.312 -1.699 1.00 0.00 H ATOM 54 HH TYR A 3 -2.522 -14.738 0.391 1.00 0.00 H ATOM 55 N GLU A 4 -3.310 -20.145 -3.409 1.00 0.00 N ATOM 56 CA GLU A 4 -4.798 -20.138 -3.392 1.00 0.00 C ATOM 57 C GLU A 4 -5.287 -19.649 -1.990 1.00 0.00 C ATOM 58 O GLU A 4 -5.034 -20.295 -0.965 1.00 0.00 O ATOM 59 CB GLU A 4 -5.296 -21.568 -3.748 1.00 0.00 C ATOM 60 CG GLU A 4 -6.807 -21.685 -4.079 1.00 0.00 C ATOM 61 CD GLU A 4 -7.211 -21.164 -5.451 1.00 0.00 C ATOM 62 OE1 GLU A 4 -7.418 -19.940 -5.588 1.00 0.00 O ATOM 63 OE2 GLU A 4 -7.345 -21.982 -6.384 1.00 0.00 O ATOM 64 H GLU A 4 -2.771 -20.555 -2.640 1.00 0.00 H ATOM 65 HA GLU A 4 -5.186 -19.449 -4.172 1.00 0.00 H ATOM 66 HB2 GLU A 4 -4.726 -21.961 -4.615 1.00 0.00 H ATOM 67 HB3 GLU A 4 -5.049 -22.257 -2.918 1.00 0.00 H ATOM 68 HG2 GLU A 4 -7.115 -22.744 -4.044 1.00 0.00 H ATOM 69 HG3 GLU A 4 -7.429 -21.168 -3.328 1.00 0.00 H ATOM 70 N ASN A 5 -5.985 -18.500 -1.937 1.00 0.00 N ATOM 71 CA ASN A 5 -6.507 -17.933 -0.662 1.00 0.00 C ATOM 72 C ASN A 5 -7.907 -18.536 -0.287 1.00 0.00 C ATOM 73 O ASN A 5 -8.841 -18.539 -1.094 1.00 0.00 O ATOM 74 CB ASN A 5 -6.517 -16.386 -0.811 1.00 0.00 C ATOM 75 CG ASN A 5 -6.713 -15.606 0.495 1.00 0.00 C ATOM 76 OD1 ASN A 5 -7.824 -15.312 0.918 1.00 0.00 O ATOM 77 ND2 ASN A 5 -5.652 -15.242 1.178 1.00 0.00 N ATOM 78 H ASN A 5 -6.227 -18.113 -2.856 1.00 0.00 H ATOM 79 HA ASN A 5 -5.780 -18.172 0.144 1.00 0.00 H ATOM 80 HB2 ASN A 5 -5.585 -16.034 -1.295 1.00 0.00 H ATOM 81 HB3 ASN A 5 -7.320 -16.082 -1.508 1.00 0.00 H ATOM 82 HD21 ASN A 5 -4.747 -15.590 0.856 1.00 0.00 H ATOM 83 HD22 ASN A 5 -5.871 -14.745 2.046 1.00 0.00 H ATOM 84 N LYS A 6 -8.050 -19.026 0.958 1.00 0.00 N ATOM 85 CA LYS A 6 -9.347 -19.543 1.484 1.00 0.00 C ATOM 86 C LYS A 6 -10.269 -18.368 1.991 1.00 0.00 C ATOM 87 O LYS A 6 -9.801 -17.621 2.861 1.00 0.00 O ATOM 88 CB LYS A 6 -9.063 -20.532 2.654 1.00 0.00 C ATOM 89 CG LYS A 6 -8.373 -21.878 2.315 1.00 0.00 C ATOM 90 CD LYS A 6 -9.318 -22.945 1.720 1.00 0.00 C ATOM 91 CE LYS A 6 -8.592 -24.282 1.473 1.00 0.00 C ATOM 92 NZ LYS A 6 -9.541 -25.287 0.918 1.00 0.00 N1+ ATOM 93 H LYS A 6 -7.241 -18.882 1.569 1.00 0.00 H ATOM 94 HA LYS A 6 -9.857 -20.119 0.691 1.00 0.00 H ATOM 95 HB2 LYS A 6 -8.453 -20.005 3.415 1.00 0.00 H ATOM 96 HB3 LYS A 6 -10.008 -20.749 3.190 1.00 0.00 H ATOM 97 HG2 LYS A 6 -7.510 -21.700 1.640 1.00 0.00 H ATOM 98 HG3 LYS A 6 -7.923 -22.273 3.248 1.00 0.00 H ATOM 99 HD2 LYS A 6 -10.174 -23.094 2.409 1.00 0.00 H ATOM 100 HD3 LYS A 6 -9.757 -22.562 0.777 1.00 0.00 H ATOM 101 HE2 LYS A 6 -7.731 -24.126 0.784 1.00 0.00 H ATOM 102 HE3 LYS A 6 -8.137 -24.651 2.420 1.00 0.00 H ATOM 103 HZ1 LYS A 6 -9.109 -26.203 0.736 1.00 0.00 H ATOM 104 HZ2 LYS A 6 -10.337 -25.467 1.544 1.00 0.00 H ATOM 105 HZ3 LYS A 6 -9.953 -24.986 0.025 1.00 0.00 H ATOM 106 N PRO A 7 -11.558 -18.174 1.560 1.00 0.00 N ATOM 107 CA PRO A 7 -12.414 -17.059 2.065 1.00 0.00 C ATOM 108 C PRO A 7 -12.811 -17.132 3.580 1.00 0.00 C ATOM 109 O PRO A 7 -13.786 -17.778 3.972 1.00 0.00 O ATOM 110 CB PRO A 7 -13.618 -17.079 1.100 1.00 0.00 C ATOM 111 CG PRO A 7 -13.118 -17.787 -0.158 1.00 0.00 C ATOM 112 CD PRO A 7 -12.140 -18.835 0.372 1.00 0.00 C ATOM 113 HA PRO A 7 -11.874 -16.108 1.878 1.00 0.00 H ATOM 114 HB2 PRO A 7 -14.474 -17.643 1.523 1.00 0.00 H ATOM 115 HB3 PRO A 7 -13.990 -16.059 0.888 1.00 0.00 H ATOM 116 HG2 PRO A 7 -13.937 -18.228 -0.756 1.00 0.00 H ATOM 117 HG3 PRO A 7 -12.587 -17.071 -0.817 1.00 0.00 H ATOM 118 HD2 PRO A 7 -12.670 -19.761 0.668 1.00 0.00 H ATOM 119 HD3 PRO A 7 -11.406 -19.095 -0.415 1.00 0.00 H ATOM 120 N ARG A 8 -12.018 -16.456 4.426 1.00 0.00 N ATOM 121 CA ARG A 8 -12.214 -16.445 5.909 1.00 0.00 C ATOM 122 C ARG A 8 -13.227 -15.356 6.419 1.00 0.00 C ATOM 123 O ARG A 8 -14.067 -15.659 7.270 1.00 0.00 O ATOM 124 CB ARG A 8 -10.794 -16.333 6.542 1.00 0.00 C ATOM 125 CG ARG A 8 -10.677 -16.566 8.072 1.00 0.00 C ATOM 126 CD ARG A 8 -10.608 -18.049 8.498 1.00 0.00 C ATOM 127 NE ARG A 8 -10.521 -18.159 9.985 1.00 0.00 N ATOM 128 CZ ARG A 8 -9.413 -18.374 10.701 1.00 0.00 C ATOM 129 NH1 ARG A 8 -8.226 -18.557 10.178 1.00 0.00 N ATOM 130 NH2 ARG A 8 -9.516 -18.401 12.000 1.00 0.00 N ATOM 131 H ARG A 8 -11.122 -16.208 3.988 1.00 0.00 H ATOM 132 HA ARG A 8 -12.634 -17.425 6.216 1.00 0.00 H ATOM 133 HB2 ARG A 8 -10.090 -17.020 6.028 1.00 0.00 H ATOM 134 HB3 ARG A 8 -10.394 -15.325 6.314 1.00 0.00 H ATOM 135 HG2 ARG A 8 -9.763 -16.053 8.431 1.00 0.00 H ATOM 136 HG3 ARG A 8 -11.507 -16.052 8.597 1.00 0.00 H ATOM 137 HD2 ARG A 8 -11.521 -18.576 8.154 1.00 0.00 H ATOM 138 HD3 ARG A 8 -9.784 -18.574 7.974 1.00 0.00 H ATOM 139 HE ARG A 8 -11.360 -18.027 10.558 1.00 0.00 H ATOM 140 HH11 ARG A 8 -8.202 -18.521 9.158 1.00 0.00 H ATOM 141 HH12 ARG A 8 -7.437 -18.723 10.806 1.00 0.00 H ATOM 142 HH21 ARG A 8 -10.445 -18.249 12.396 1.00 0.00 H ATOM 143 HH22 ARG A 8 -8.659 -18.563 12.533 1.00 0.00 H ATOM 144 N ARG A 9 -13.147 -14.104 5.925 1.00 0.00 N ATOM 145 CA ARG A 9 -14.168 -13.049 6.196 1.00 0.00 C ATOM 146 C ARG A 9 -15.526 -13.304 5.431 1.00 0.00 C ATOM 147 O ARG A 9 -15.464 -13.690 4.255 1.00 0.00 O ATOM 148 CB ARG A 9 -13.602 -11.676 5.730 1.00 0.00 C ATOM 149 CG ARG A 9 -12.386 -11.085 6.483 1.00 0.00 C ATOM 150 CD ARG A 9 -11.966 -9.706 5.929 1.00 0.00 C ATOM 151 NE ARG A 9 -10.780 -9.215 6.681 1.00 0.00 N ATOM 152 CZ ARG A 9 -10.233 -8.003 6.572 1.00 0.00 C ATOM 153 NH1 ARG A 9 -10.678 -7.069 5.769 1.00 0.00 N ATOM 154 NH2 ARG A 9 -9.194 -7.733 7.310 1.00 0.00 N ATOM 155 H ARG A 9 -12.514 -14.042 5.122 1.00 0.00 H ATOM 156 HA ARG A 9 -14.351 -13.005 7.286 1.00 0.00 H ATOM 157 HB2 ARG A 9 -13.342 -11.770 4.661 1.00 0.00 H ATOM 158 HB3 ARG A 9 -14.418 -10.926 5.756 1.00 0.00 H ATOM 159 HG2 ARG A 9 -12.628 -11.004 7.561 1.00 0.00 H ATOM 160 HG3 ARG A 9 -11.539 -11.796 6.418 1.00 0.00 H ATOM 161 HD2 ARG A 9 -11.728 -9.783 4.848 1.00 0.00 H ATOM 162 HD3 ARG A 9 -12.815 -8.995 6.011 1.00 0.00 H ATOM 163 HE ARG A 9 -10.305 -9.827 7.350 1.00 0.00 H ATOM 164 HH11 ARG A 9 -11.492 -7.337 5.213 1.00 0.00 H ATOM 165 HH12 ARG A 9 -10.197 -6.167 5.759 1.00 0.00 H ATOM 166 HH21 ARG A 9 -8.861 -8.474 7.929 1.00 0.00 H ATOM 167 HH22 ARG A 9 -8.787 -6.800 7.222 1.00 0.00 H ATOM 168 N PRO A 10 -16.753 -13.041 5.982 1.00 0.00 N ATOM 169 CA PRO A 10 -18.024 -13.196 5.215 1.00 0.00 C ATOM 170 C PRO A 10 -18.290 -12.052 4.173 1.00 0.00 C ATOM 171 O PRO A 10 -19.061 -11.118 4.413 1.00 0.00 O ATOM 172 CB PRO A 10 -19.057 -13.316 6.357 1.00 0.00 C ATOM 173 CG PRO A 10 -18.481 -12.496 7.514 1.00 0.00 C ATOM 174 CD PRO A 10 -16.966 -12.687 7.402 1.00 0.00 C ATOM 175 HA PRO A 10 -18.028 -14.161 4.669 1.00 0.00 H ATOM 176 HB2 PRO A 10 -20.072 -12.982 6.065 1.00 0.00 H ATOM 177 HB3 PRO A 10 -19.158 -14.376 6.663 1.00 0.00 H ATOM 178 HG2 PRO A 10 -18.745 -11.428 7.386 1.00 0.00 H ATOM 179 HG3 PRO A 10 -18.879 -12.812 8.497 1.00 0.00 H ATOM 180 HD2 PRO A 10 -16.426 -11.766 7.696 1.00 0.00 H ATOM 181 HD3 PRO A 10 -16.627 -13.509 8.063 1.00 0.00 H ATOM 182 N TYR A 11 -17.629 -12.158 3.006 1.00 0.00 N ATOM 183 CA TYR A 11 -17.788 -11.201 1.866 1.00 0.00 C ATOM 184 C TYR A 11 -18.240 -11.839 0.510 1.00 0.00 C ATOM 185 O TYR A 11 -19.038 -11.219 -0.199 1.00 0.00 O ATOM 186 CB TYR A 11 -16.563 -10.241 1.743 1.00 0.00 C ATOM 187 CG TYR A 11 -15.147 -10.783 1.430 1.00 0.00 C ATOM 188 CD1 TYR A 11 -14.845 -11.384 0.201 1.00 0.00 C ATOM 189 CD2 TYR A 11 -14.109 -10.571 2.345 1.00 0.00 C ATOM 190 CE1 TYR A 11 -13.554 -11.820 -0.080 1.00 0.00 C ATOM 191 CE2 TYR A 11 -12.811 -10.988 2.055 1.00 0.00 C ATOM 192 CZ TYR A 11 -12.536 -11.621 0.848 1.00 0.00 C ATOM 193 OH TYR A 11 -11.264 -12.030 0.552 1.00 0.00 O ATOM 194 H TYR A 11 -16.880 -12.863 3.051 1.00 0.00 H ATOM 195 HA TYR A 11 -18.639 -10.528 2.100 1.00 0.00 H ATOM 196 HB2 TYR A 11 -16.801 -9.478 0.977 1.00 0.00 H ATOM 197 HB3 TYR A 11 -16.534 -9.648 2.678 1.00 0.00 H ATOM 198 HD1 TYR A 11 -15.606 -11.500 -0.556 1.00 0.00 H ATOM 199 HD2 TYR A 11 -14.307 -10.067 3.280 1.00 0.00 H ATOM 200 HE1 TYR A 11 -13.331 -12.296 -1.024 1.00 0.00 H ATOM 201 HE2 TYR A 11 -12.015 -10.815 2.764 1.00 0.00 H ATOM 202 HH TYR A 11 -10.674 -11.783 1.267 1.00 0.00 H ATOM 203 N ILE A 12 -17.743 -13.032 0.122 1.00 0.00 N ATOM 204 CA ILE A 12 -18.140 -13.710 -1.151 1.00 0.00 C ATOM 205 C ILE A 12 -19.403 -14.601 -0.890 1.00 0.00 C ATOM 206 O ILE A 12 -19.301 -15.774 -0.520 1.00 0.00 O ATOM 207 CB ILE A 12 -16.881 -14.377 -1.823 1.00 0.00 C ATOM 208 CG1 ILE A 12 -17.019 -14.663 -3.348 1.00 0.00 C ATOM 209 CG2 ILE A 12 -16.263 -15.587 -1.079 1.00 0.00 C ATOM 210 CD1 ILE A 12 -18.047 -15.718 -3.800 1.00 0.00 C ATOM 211 H ILE A 12 -17.129 -13.478 0.810 1.00 0.00 H ATOM 212 HA ILE A 12 -18.440 -12.928 -1.880 1.00 0.00 H ATOM 213 HB ILE A 12 -16.090 -13.602 -1.787 1.00 0.00 H ATOM 214 HG12 ILE A 12 -17.243 -13.714 -3.874 1.00 0.00 H ATOM 215 HG13 ILE A 12 -16.029 -14.960 -3.746 1.00 0.00 H ATOM 216 HG21 ILE A 12 -15.301 -15.897 -1.526 1.00 0.00 H ATOM 217 HG22 ILE A 12 -16.927 -16.471 -1.095 1.00 0.00 H ATOM 218 HG23 ILE A 12 -16.064 -15.356 -0.018 1.00 0.00 H ATOM 219 HD11 ILE A 12 -19.084 -15.436 -3.537 1.00 0.00 H ATOM 220 HD12 ILE A 12 -17.853 -16.709 -3.351 1.00 0.00 H ATOM 221 HD13 ILE A 12 -18.028 -15.851 -4.898 1.00 0.00 H ATOM 222 N LEU A 13 -20.593 -13.998 -1.065 1.00 0.00 N ATOM 223 CA LEU A 13 -21.903 -14.694 -0.930 1.00 0.00 C ATOM 224 C LEU A 13 -22.394 -15.194 -2.321 1.00 0.00 C ATOM 225 O LEU A 13 -22.589 -14.371 -3.251 1.00 0.00 O ATOM 226 CB LEU A 13 -22.939 -13.734 -0.268 1.00 0.00 C ATOM 227 CG LEU A 13 -22.730 -13.354 1.226 1.00 0.00 C ATOM 228 CD1 LEU A 13 -23.602 -12.142 1.600 1.00 0.00 C ATOM 229 CD2 LEU A 13 -23.059 -14.515 2.183 1.00 0.00 C ATOM 230 OXT LEU A 13 -22.592 -16.421 -2.484 1.00 0.00 O ATOM 231 H LEU A 13 -20.547 -13.013 -1.343 1.00 0.00 H ATOM 232 HA LEU A 13 -21.800 -15.581 -0.275 1.00 0.00 H ATOM 233 HB2 LEU A 13 -22.988 -12.812 -0.881 1.00 0.00 H ATOM 234 HB3 LEU A 13 -23.950 -14.175 -0.373 1.00 0.00 H ATOM 235 HG LEU A 13 -21.670 -13.066 1.374 1.00 0.00 H ATOM 236 HD11 LEU A 13 -23.366 -11.263 0.971 1.00 0.00 H ATOM 237 HD12 LEU A 13 -24.681 -12.351 1.473 1.00 0.00 H ATOM 238 HD13 LEU A 13 -23.448 -11.830 2.650 1.00 0.00 H ATOM 239 HD21 LEU A 13 -22.886 -14.239 3.239 1.00 0.00 H ATOM 240 HD22 LEU A 13 -22.434 -15.404 1.979 1.00 0.00 H ATOM 241 HD23 LEU A 13 -24.115 -14.834 2.097 1.00 0.00 H TER 242 LEU A 13 ENDMDL MODEL 19 HETATM 1 N PCA A 1 4.061 -24.077 -1.676 1.00 0.00 N HETATM 2 CA PCA A 1 3.676 -22.869 -2.422 1.00 0.00 C HETATM 3 CB PCA A 1 4.007 -23.297 -3.869 1.00 0.00 C HETATM 4 CG PCA A 1 5.089 -24.380 -3.721 1.00 0.00 C HETATM 5 CD PCA A 1 4.816 -24.920 -2.335 1.00 0.00 C HETATM 6 OE PCA A 1 5.218 -25.988 -1.887 1.00 0.00 O HETATM 7 C PCA A 1 2.206 -22.404 -2.199 1.00 0.00 C HETATM 8 O PCA A 1 1.256 -23.159 -2.427 1.00 0.00 O HETATM 9 H1 PCA A 1 3.720 -24.390 -0.762 1.00 0.00 H HETATM 10 HA PCA A 1 4.379 -22.063 -2.129 1.00 0.00 H HETATM 11 HB2 PCA A 1 4.336 -22.450 -4.499 1.00 0.00 H HETATM 12 HB3 PCA A 1 3.116 -23.733 -4.365 1.00 0.00 H HETATM 13 HG2 PCA A 1 5.014 -25.172 -4.487 1.00 0.00 H HETATM 14 HG3 PCA A 1 6.110 -23.959 -3.758 1.00 0.00 H ATOM 15 N LEU A 2 2.022 -21.142 -1.772 1.00 0.00 N ATOM 16 CA LEU A 2 0.672 -20.537 -1.584 1.00 0.00 C ATOM 17 C LEU A 2 0.248 -19.791 -2.890 1.00 0.00 C ATOM 18 O LEU A 2 0.857 -18.785 -3.267 1.00 0.00 O ATOM 19 CB LEU A 2 0.727 -19.638 -0.312 1.00 0.00 C ATOM 20 CG LEU A 2 -0.632 -19.183 0.296 1.00 0.00 C ATOM 21 CD1 LEU A 2 -0.444 -18.760 1.766 1.00 0.00 C ATOM 22 CD2 LEU A 2 -1.287 -18.011 -0.459 1.00 0.00 C ATOM 23 H LEU A 2 2.874 -20.579 -1.685 1.00 0.00 H ATOM 24 HA LEU A 2 -0.062 -21.340 -1.361 1.00 0.00 H ATOM 25 HB2 LEU A 2 1.261 -20.210 0.474 1.00 0.00 H ATOM 26 HB3 LEU A 2 1.373 -18.756 -0.493 1.00 0.00 H ATOM 27 HG LEU A 2 -1.334 -20.041 0.287 1.00 0.00 H ATOM 28 HD11 LEU A 2 -0.032 -19.582 2.381 1.00 0.00 H ATOM 29 HD12 LEU A 2 0.244 -17.900 1.868 1.00 0.00 H ATOM 30 HD13 LEU A 2 -1.402 -18.469 2.236 1.00 0.00 H ATOM 31 HD21 LEU A 2 -2.241 -17.704 0.008 1.00 0.00 H ATOM 32 HD22 LEU A 2 -1.531 -18.264 -1.506 1.00 0.00 H ATOM 33 HD23 LEU A 2 -0.635 -17.117 -0.486 1.00 0.00 H ATOM 34 N TYR A 3 -0.796 -20.295 -3.571 1.00 0.00 N ATOM 35 CA TYR A 3 -1.329 -19.684 -4.825 1.00 0.00 C ATOM 36 C TYR A 3 -2.843 -19.304 -4.685 1.00 0.00 C ATOM 37 O TYR A 3 -3.169 -18.115 -4.744 1.00 0.00 O ATOM 38 CB TYR A 3 -0.955 -20.619 -6.015 1.00 0.00 C ATOM 39 CG TYR A 3 -1.262 -20.050 -7.410 1.00 0.00 C ATOM 40 CD1 TYR A 3 -0.333 -19.239 -8.074 1.00 0.00 C ATOM 41 CD2 TYR A 3 -2.490 -20.324 -8.022 1.00 0.00 C ATOM 42 CE1 TYR A 3 -0.637 -18.703 -9.324 1.00 0.00 C ATOM 43 CE2 TYR A 3 -2.794 -19.782 -9.267 1.00 0.00 C ATOM 44 CZ TYR A 3 -1.867 -18.972 -9.918 1.00 0.00 C ATOM 45 OH TYR A 3 -2.166 -18.433 -11.140 1.00 0.00 O ATOM 46 H TYR A 3 -1.199 -21.145 -3.163 1.00 0.00 H ATOM 47 HA TYR A 3 -0.815 -18.720 -5.018 1.00 0.00 H ATOM 48 HB2 TYR A 3 0.127 -20.856 -5.965 1.00 0.00 H ATOM 49 HB3 TYR A 3 -1.445 -21.605 -5.892 1.00 0.00 H ATOM 50 HD1 TYR A 3 0.622 -19.016 -7.619 1.00 0.00 H ATOM 51 HD2 TYR A 3 -3.217 -20.947 -7.524 1.00 0.00 H ATOM 52 HE1 TYR A 3 0.078 -18.074 -9.836 1.00 0.00 H ATOM 53 HE2 TYR A 3 -3.753 -19.992 -9.719 1.00 0.00 H ATOM 54 HH TYR A 3 -3.054 -18.700 -11.384 1.00 0.00 H ATOM 55 N GLU A 4 -3.761 -20.276 -4.496 1.00 0.00 N ATOM 56 CA GLU A 4 -5.207 -19.990 -4.269 1.00 0.00 C ATOM 57 C GLU A 4 -5.496 -19.614 -2.777 1.00 0.00 C ATOM 58 O GLU A 4 -5.137 -20.340 -1.843 1.00 0.00 O ATOM 59 CB GLU A 4 -6.073 -21.208 -4.691 1.00 0.00 C ATOM 60 CG GLU A 4 -6.170 -21.479 -6.213 1.00 0.00 C ATOM 61 CD GLU A 4 -7.032 -22.680 -6.560 1.00 0.00 C ATOM 62 OE1 GLU A 4 -6.508 -23.813 -6.554 1.00 0.00 O ATOM 63 OE2 GLU A 4 -8.231 -22.492 -6.856 1.00 0.00 O ATOM 64 H GLU A 4 -3.391 -21.229 -4.445 1.00 0.00 H ATOM 65 HA GLU A 4 -5.508 -19.146 -4.924 1.00 0.00 H ATOM 66 HB2 GLU A 4 -5.723 -22.120 -4.168 1.00 0.00 H ATOM 67 HB3 GLU A 4 -7.108 -21.058 -4.322 1.00 0.00 H ATOM 68 HG2 GLU A 4 -6.584 -20.607 -6.748 1.00 0.00 H ATOM 69 HG3 GLU A 4 -5.175 -21.664 -6.646 1.00 0.00 H ATOM 70 N ASN A 5 -6.176 -18.475 -2.563 1.00 0.00 N ATOM 71 CA ASN A 5 -6.578 -18.009 -1.206 1.00 0.00 C ATOM 72 C ASN A 5 -7.932 -18.633 -0.716 1.00 0.00 C ATOM 73 O ASN A 5 -8.938 -18.626 -1.432 1.00 0.00 O ATOM 74 CB ASN A 5 -6.542 -16.453 -1.160 1.00 0.00 C ATOM 75 CG ASN A 5 -7.541 -15.665 -2.023 1.00 0.00 C ATOM 76 OD1 ASN A 5 -8.616 -15.278 -1.580 1.00 0.00 O ATOM 77 ND2 ASN A 5 -7.215 -15.379 -3.262 1.00 0.00 N ATOM 78 H ASN A 5 -6.487 -18.002 -3.416 1.00 0.00 H ATOM 79 HA ASN A 5 -5.784 -18.326 -0.498 1.00 0.00 H ATOM 80 HB2 ASN A 5 -6.709 -16.132 -0.115 1.00 0.00 H ATOM 81 HB3 ASN A 5 -5.515 -16.101 -1.378 1.00 0.00 H ATOM 82 HD21 ASN A 5 -6.286 -15.666 -3.583 1.00 0.00 H ATOM 83 HD22 ASN A 5 -7.930 -14.852 -3.771 1.00 0.00 H ATOM 84 N LYS A 6 -7.954 -19.155 0.524 1.00 0.00 N ATOM 85 CA LYS A 6 -9.193 -19.697 1.160 1.00 0.00 C ATOM 86 C LYS A 6 -9.993 -18.550 1.890 1.00 0.00 C ATOM 87 O LYS A 6 -9.404 -17.925 2.781 1.00 0.00 O ATOM 88 CB LYS A 6 -8.812 -20.828 2.163 1.00 0.00 C ATOM 89 CG LYS A 6 -8.267 -22.139 1.536 1.00 0.00 C ATOM 90 CD LYS A 6 -7.837 -23.219 2.559 1.00 0.00 C ATOM 91 CE LYS A 6 -9.000 -24.046 3.144 1.00 0.00 C ATOM 92 NZ LYS A 6 -8.467 -25.080 4.078 1.00 0.00 N1+ ATOM 93 H LYS A 6 -7.076 -19.067 1.044 1.00 0.00 H ATOM 94 HA LYS A 6 -9.826 -20.168 0.385 1.00 0.00 H ATOM 95 HB2 LYS A 6 -8.082 -20.431 2.897 1.00 0.00 H ATOM 96 HB3 LYS A 6 -9.705 -21.075 2.769 1.00 0.00 H ATOM 97 HG2 LYS A 6 -8.998 -22.556 0.814 1.00 0.00 H ATOM 98 HG3 LYS A 6 -7.386 -21.887 0.912 1.00 0.00 H ATOM 99 HD2 LYS A 6 -7.125 -23.899 2.049 1.00 0.00 H ATOM 100 HD3 LYS A 6 -7.242 -22.744 3.365 1.00 0.00 H ATOM 101 HE2 LYS A 6 -9.728 -23.382 3.660 1.00 0.00 H ATOM 102 HE3 LYS A 6 -9.579 -24.521 2.320 1.00 0.00 H ATOM 103 HZ1 LYS A 6 -7.959 -24.670 4.873 1.00 0.00 H ATOM 104 HZ2 LYS A 6 -9.194 -25.684 4.486 1.00 0.00 H ATOM 105 HZ3 LYS A 6 -7.797 -25.714 3.623 1.00 0.00 H ATOM 106 N PRO A 7 -11.300 -18.242 1.611 1.00 0.00 N ATOM 107 CA PRO A 7 -12.044 -17.163 2.327 1.00 0.00 C ATOM 108 C PRO A 7 -12.248 -17.356 3.867 1.00 0.00 C ATOM 109 O PRO A 7 -12.589 -18.447 4.332 1.00 0.00 O ATOM 110 CB PRO A 7 -13.387 -17.105 1.569 1.00 0.00 C ATOM 111 CG PRO A 7 -13.092 -17.694 0.190 1.00 0.00 C ATOM 112 CD PRO A 7 -12.059 -18.787 0.465 1.00 0.00 C ATOM 113 HA PRO A 7 -11.499 -16.217 2.138 1.00 0.00 H ATOM 114 HB2 PRO A 7 -14.161 -17.720 2.071 1.00 0.00 H ATOM 115 HB3 PRO A 7 -13.796 -16.079 1.509 1.00 0.00 H ATOM 116 HG2 PRO A 7 -14.000 -18.080 -0.310 1.00 0.00 H ATOM 117 HG3 PRO A 7 -12.662 -16.921 -0.477 1.00 0.00 H ATOM 118 HD2 PRO A 7 -12.551 -19.739 0.749 1.00 0.00 H ATOM 119 HD3 PRO A 7 -11.448 -18.971 -0.440 1.00 0.00 H ATOM 120 N ARG A 8 -12.043 -16.276 4.642 1.00 0.00 N ATOM 121 CA ARG A 8 -12.196 -16.292 6.129 1.00 0.00 C ATOM 122 C ARG A 8 -13.388 -15.396 6.614 1.00 0.00 C ATOM 123 O ARG A 8 -14.339 -15.920 7.199 1.00 0.00 O ATOM 124 CB ARG A 8 -10.804 -15.975 6.754 1.00 0.00 C ATOM 125 CG ARG A 8 -10.699 -16.230 8.281 1.00 0.00 C ATOM 126 CD ARG A 8 -9.311 -15.957 8.900 1.00 0.00 C ATOM 127 NE ARG A 8 -9.068 -14.496 9.071 1.00 0.00 N ATOM 128 CZ ARG A 8 -8.101 -13.954 9.817 1.00 0.00 C ATOM 129 NH1 ARG A 8 -7.208 -14.652 10.473 1.00 0.00 N ATOM 130 NH2 ARG A 8 -8.040 -12.656 9.901 1.00 0.00 N ATOM 131 H ARG A 8 -11.734 -15.451 4.123 1.00 0.00 H ATOM 132 HA ARG A 8 -12.458 -17.317 6.464 1.00 0.00 H ATOM 133 HB2 ARG A 8 -10.039 -16.606 6.256 1.00 0.00 H ATOM 134 HB3 ARG A 8 -10.509 -14.936 6.516 1.00 0.00 H ATOM 135 HG2 ARG A 8 -11.480 -15.666 8.830 1.00 0.00 H ATOM 136 HG3 ARG A 8 -10.952 -17.293 8.469 1.00 0.00 H ATOM 137 HD2 ARG A 8 -9.267 -16.476 9.880 1.00 0.00 H ATOM 138 HD3 ARG A 8 -8.515 -16.421 8.279 1.00 0.00 H ATOM 139 HE ARG A 8 -9.690 -13.817 8.628 1.00 0.00 H ATOM 140 HH11 ARG A 8 -7.301 -15.664 10.368 1.00 0.00 H ATOM 141 HH12 ARG A 8 -6.508 -14.155 11.028 1.00 0.00 H ATOM 142 HH21 ARG A 8 -8.747 -12.123 9.392 1.00 0.00 H ATOM 143 HH22 ARG A 8 -7.297 -12.262 10.482 1.00 0.00 H ATOM 144 N ARG A 9 -13.354 -14.066 6.388 1.00 0.00 N ATOM 145 CA ARG A 9 -14.507 -13.158 6.675 1.00 0.00 C ATOM 146 C ARG A 9 -15.702 -13.267 5.644 1.00 0.00 C ATOM 147 O ARG A 9 -15.439 -13.606 4.485 1.00 0.00 O ATOM 148 CB ARG A 9 -13.970 -11.703 6.869 1.00 0.00 C ATOM 149 CG ARG A 9 -13.426 -10.885 5.661 1.00 0.00 C ATOM 150 CD ARG A 9 -11.972 -11.183 5.237 1.00 0.00 C ATOM 151 NE ARG A 9 -11.560 -10.311 4.097 1.00 0.00 N ATOM 152 CZ ARG A 9 -10.759 -9.243 4.166 1.00 0.00 C ATOM 153 NH1 ARG A 9 -10.244 -8.782 5.279 1.00 0.00 N ATOM 154 NH2 ARG A 9 -10.474 -8.617 3.060 1.00 0.00 N ATOM 155 H ARG A 9 -12.563 -13.769 5.817 1.00 0.00 H ATOM 156 HA ARG A 9 -14.913 -13.465 7.659 1.00 0.00 H ATOM 157 HB2 ARG A 9 -14.807 -11.114 7.290 1.00 0.00 H ATOM 158 HB3 ARG A 9 -13.226 -11.696 7.688 1.00 0.00 H ATOM 159 HG2 ARG A 9 -14.112 -10.994 4.799 1.00 0.00 H ATOM 160 HG3 ARG A 9 -13.495 -9.810 5.921 1.00 0.00 H ATOM 161 HD2 ARG A 9 -11.288 -11.117 6.107 1.00 0.00 H ATOM 162 HD3 ARG A 9 -11.889 -12.235 4.905 1.00 0.00 H ATOM 163 HE ARG A 9 -11.885 -10.514 3.146 1.00 0.00 H ATOM 164 HH11 ARG A 9 -10.526 -9.288 6.119 1.00 0.00 H ATOM 165 HH12 ARG A 9 -9.647 -7.954 5.230 1.00 0.00 H ATOM 166 HH21 ARG A 9 -10.882 -8.982 2.197 1.00 0.00 H ATOM 167 HH22 ARG A 9 -9.863 -7.800 3.129 1.00 0.00 H ATOM 168 N PRO A 10 -17.003 -12.982 5.971 1.00 0.00 N ATOM 169 CA PRO A 10 -18.118 -13.087 4.985 1.00 0.00 C ATOM 170 C PRO A 10 -18.159 -11.912 3.948 1.00 0.00 C ATOM 171 O PRO A 10 -18.490 -10.771 4.284 1.00 0.00 O ATOM 172 CB PRO A 10 -19.358 -13.175 5.900 1.00 0.00 C ATOM 173 CG PRO A 10 -18.972 -12.434 7.181 1.00 0.00 C ATOM 174 CD PRO A 10 -17.475 -12.709 7.347 1.00 0.00 C ATOM 175 HA PRO A 10 -18.046 -14.052 4.443 1.00 0.00 H ATOM 176 HB2 PRO A 10 -20.277 -12.766 5.436 1.00 0.00 H ATOM 177 HB3 PRO A 10 -19.579 -14.236 6.134 1.00 0.00 H ATOM 178 HG2 PRO A 10 -19.151 -11.348 7.056 1.00 0.00 H ATOM 179 HG3 PRO A 10 -19.566 -12.760 8.056 1.00 0.00 H ATOM 180 HD2 PRO A 10 -16.966 -11.844 7.812 1.00 0.00 H ATOM 181 HD3 PRO A 10 -17.313 -13.591 7.997 1.00 0.00 H ATOM 182 N TYR A 11 -17.802 -12.213 2.687 1.00 0.00 N ATOM 183 CA TYR A 11 -17.782 -11.213 1.572 1.00 0.00 C ATOM 184 C TYR A 11 -18.460 -11.725 0.256 1.00 0.00 C ATOM 185 O TYR A 11 -19.375 -11.061 -0.238 1.00 0.00 O ATOM 186 CB TYR A 11 -16.367 -10.577 1.392 1.00 0.00 C ATOM 187 CG TYR A 11 -15.212 -11.471 0.893 1.00 0.00 C ATOM 188 CD1 TYR A 11 -14.971 -11.613 -0.476 1.00 0.00 C ATOM 189 CD2 TYR A 11 -14.409 -12.168 1.801 1.00 0.00 C ATOM 190 CE1 TYR A 11 -13.979 -12.479 -0.932 1.00 0.00 C ATOM 191 CE2 TYR A 11 -13.412 -13.029 1.347 1.00 0.00 C ATOM 192 CZ TYR A 11 -13.204 -13.190 -0.021 1.00 0.00 C ATOM 193 OH TYR A 11 -12.248 -14.052 -0.489 1.00 0.00 O ATOM 194 H TYR A 11 -17.479 -13.178 2.570 1.00 0.00 H ATOM 195 HA TYR A 11 -18.433 -10.364 1.868 1.00 0.00 H ATOM 196 HB2 TYR A 11 -16.467 -9.708 0.713 1.00 0.00 H ATOM 197 HB3 TYR A 11 -16.077 -10.109 2.353 1.00 0.00 H ATOM 198 HD1 TYR A 11 -15.583 -11.082 -1.193 1.00 0.00 H ATOM 199 HD2 TYR A 11 -14.578 -12.057 2.858 1.00 0.00 H ATOM 200 HE1 TYR A 11 -13.820 -12.614 -1.992 1.00 0.00 H ATOM 201 HE2 TYR A 11 -12.818 -13.582 2.060 1.00 0.00 H ATOM 202 HH TYR A 11 -11.743 -14.410 0.243 1.00 0.00 H ATOM 203 N ILE A 12 -18.045 -12.877 -0.313 1.00 0.00 N ATOM 204 CA ILE A 12 -18.756 -13.522 -1.463 1.00 0.00 C ATOM 205 C ILE A 12 -19.915 -14.434 -0.935 1.00 0.00 C ATOM 206 O ILE A 12 -19.675 -15.393 -0.193 1.00 0.00 O ATOM 207 CB ILE A 12 -17.803 -14.275 -2.465 1.00 0.00 C ATOM 208 CG1 ILE A 12 -16.860 -15.353 -1.845 1.00 0.00 C ATOM 209 CG2 ILE A 12 -16.996 -13.294 -3.352 1.00 0.00 C ATOM 210 CD1 ILE A 12 -16.449 -16.476 -2.815 1.00 0.00 C ATOM 211 H ILE A 12 -17.270 -13.340 0.170 1.00 0.00 H ATOM 212 HA ILE A 12 -19.223 -12.717 -2.068 1.00 0.00 H ATOM 213 HB ILE A 12 -18.481 -14.806 -3.165 1.00 0.00 H ATOM 214 HG12 ILE A 12 -15.958 -14.877 -1.415 1.00 0.00 H ATOM 215 HG13 ILE A 12 -17.356 -15.835 -0.981 1.00 0.00 H ATOM 216 HG21 ILE A 12 -17.647 -12.559 -3.861 1.00 0.00 H ATOM 217 HG22 ILE A 12 -16.433 -13.817 -4.146 1.00 0.00 H ATOM 218 HG23 ILE A 12 -16.261 -12.718 -2.765 1.00 0.00 H ATOM 219 HD11 ILE A 12 -15.874 -16.096 -3.679 1.00 0.00 H ATOM 220 HD12 ILE A 12 -15.820 -17.233 -2.312 1.00 0.00 H ATOM 221 HD13 ILE A 12 -17.333 -17.009 -3.215 1.00 0.00 H ATOM 222 N LEU A 13 -21.163 -14.115 -1.319 1.00 0.00 N ATOM 223 CA LEU A 13 -22.363 -14.916 -0.955 1.00 0.00 C ATOM 224 C LEU A 13 -22.737 -15.871 -2.129 1.00 0.00 C ATOM 225 O LEU A 13 -22.711 -17.109 -1.929 1.00 0.00 O ATOM 226 CB LEU A 13 -23.552 -13.986 -0.562 1.00 0.00 C ATOM 227 CG LEU A 13 -23.497 -13.272 0.821 1.00 0.00 C ATOM 228 CD1 LEU A 13 -22.594 -12.023 0.838 1.00 0.00 C ATOM 229 CD2 LEU A 13 -24.909 -12.847 1.266 1.00 0.00 C ATOM 230 OXT LEU A 13 -23.061 -15.396 -3.245 1.00 0.00 O ATOM 231 H LEU A 13 -21.248 -13.314 -1.950 1.00 0.00 H ATOM 232 HA LEU A 13 -22.150 -15.552 -0.073 1.00 0.00 H ATOM 233 HB2 LEU A 13 -23.748 -13.253 -1.368 1.00 0.00 H ATOM 234 HB3 LEU A 13 -24.456 -14.627 -0.564 1.00 0.00 H ATOM 235 HG LEU A 13 -23.110 -13.991 1.570 1.00 0.00 H ATOM 236 HD11 LEU A 13 -21.544 -12.272 0.607 1.00 0.00 H ATOM 237 HD12 LEU A 13 -22.918 -11.265 0.101 1.00 0.00 H ATOM 238 HD13 LEU A 13 -22.581 -11.535 1.830 1.00 0.00 H ATOM 239 HD21 LEU A 13 -24.902 -12.373 2.265 1.00 0.00 H ATOM 240 HD22 LEU A 13 -25.592 -13.714 1.332 1.00 0.00 H ATOM 241 HD23 LEU A 13 -25.365 -12.126 0.562 1.00 0.00 H TER 242 LEU A 13 ENDMDL MODEL 20 HETATM 1 N PCA A 1 -4.876 -21.668 -12.086 1.00 0.00 N HETATM 2 CA PCA A 1 -5.548 -22.298 -10.936 1.00 0.00 C HETATM 3 CB PCA A 1 -4.377 -22.422 -9.933 1.00 0.00 C HETATM 4 CG PCA A 1 -3.315 -21.413 -10.397 1.00 0.00 C HETATM 5 CD PCA A 1 -3.690 -21.167 -11.840 1.00 0.00 C HETATM 6 OE PCA A 1 -3.006 -20.581 -12.673 1.00 0.00 O HETATM 7 C PCA A 1 -6.776 -21.483 -10.415 1.00 0.00 C HETATM 8 O PCA A 1 -6.653 -20.313 -10.043 1.00 0.00 O HETATM 9 H1 PCA A 1 -5.265 -21.461 -13.010 1.00 0.00 H HETATM 10 HA PCA A 1 -5.869 -23.316 -11.232 1.00 0.00 H HETATM 11 HB2 PCA A 1 -3.956 -23.445 -9.974 1.00 0.00 H HETATM 12 HB3 PCA A 1 -4.675 -22.255 -8.878 1.00 0.00 H HETATM 13 HG2 PCA A 1 -2.284 -21.799 -10.303 1.00 0.00 H HETATM 14 HG3 PCA A 1 -3.374 -20.466 -9.828 1.00 0.00 H ATOM 15 N LEU A 2 -7.966 -22.113 -10.378 1.00 0.00 N ATOM 16 CA LEU A 2 -9.216 -21.451 -9.888 1.00 0.00 C ATOM 17 C LEU A 2 -9.347 -21.410 -8.327 1.00 0.00 C ATOM 18 O LEU A 2 -9.525 -20.326 -7.765 1.00 0.00 O ATOM 19 CB LEU A 2 -10.459 -22.100 -10.572 1.00 0.00 C ATOM 20 CG LEU A 2 -10.648 -21.841 -12.094 1.00 0.00 C ATOM 21 CD1 LEU A 2 -11.660 -22.837 -12.687 1.00 0.00 C ATOM 22 CD2 LEU A 2 -11.129 -20.408 -12.394 1.00 0.00 C ATOM 23 H LEU A 2 -7.963 -23.070 -10.743 1.00 0.00 H ATOM 24 HA LEU A 2 -9.199 -20.388 -10.200 1.00 0.00 H ATOM 25 HB2 LEU A 2 -10.432 -23.191 -10.381 1.00 0.00 H ATOM 26 HB3 LEU A 2 -11.379 -21.764 -10.053 1.00 0.00 H ATOM 27 HG LEU A 2 -9.681 -21.999 -12.611 1.00 0.00 H ATOM 28 HD11 LEU A 2 -12.662 -22.740 -12.228 1.00 0.00 H ATOM 29 HD12 LEU A 2 -11.787 -22.693 -13.777 1.00 0.00 H ATOM 30 HD13 LEU A 2 -11.337 -23.885 -12.544 1.00 0.00 H ATOM 31 HD21 LEU A 2 -11.236 -20.234 -13.481 1.00 0.00 H ATOM 32 HD22 LEU A 2 -12.112 -20.193 -11.934 1.00 0.00 H ATOM 33 HD23 LEU A 2 -10.423 -19.643 -12.024 1.00 0.00 H ATOM 34 N TYR A 3 -9.276 -22.562 -7.628 1.00 0.00 N ATOM 35 CA TYR A 3 -9.294 -22.609 -6.140 1.00 0.00 C ATOM 36 C TYR A 3 -7.835 -22.575 -5.574 1.00 0.00 C ATOM 37 O TYR A 3 -7.061 -23.519 -5.766 1.00 0.00 O ATOM 38 CB TYR A 3 -10.097 -23.873 -5.721 1.00 0.00 C ATOM 39 CG TYR A 3 -10.381 -23.992 -4.214 1.00 0.00 C ATOM 40 CD1 TYR A 3 -11.533 -23.432 -3.648 1.00 0.00 C ATOM 41 CD2 TYR A 3 -9.476 -24.673 -3.392 1.00 0.00 C ATOM 42 CE1 TYR A 3 -11.779 -23.561 -2.280 1.00 0.00 C ATOM 43 CE2 TYR A 3 -9.720 -24.796 -2.030 1.00 0.00 C ATOM 44 CZ TYR A 3 -10.872 -24.249 -1.476 1.00 0.00 C ATOM 45 OH TYR A 3 -11.089 -24.434 -0.141 1.00 0.00 O ATOM 46 H TYR A 3 -9.017 -23.376 -8.192 1.00 0.00 H ATOM 47 HA TYR A 3 -9.861 -21.738 -5.750 1.00 0.00 H ATOM 48 HB2 TYR A 3 -11.062 -23.900 -6.264 1.00 0.00 H ATOM 49 HB3 TYR A 3 -9.568 -24.782 -6.073 1.00 0.00 H ATOM 50 HD1 TYR A 3 -12.243 -22.902 -4.268 1.00 0.00 H ATOM 51 HD2 TYR A 3 -8.575 -25.102 -3.808 1.00 0.00 H ATOM 52 HE1 TYR A 3 -12.675 -23.139 -1.848 1.00 0.00 H ATOM 53 HE2 TYR A 3 -9.010 -25.326 -1.412 1.00 0.00 H ATOM 54 HH TYR A 3 -10.345 -24.970 0.136 1.00 0.00 H ATOM 55 N GLU A 4 -7.488 -21.489 -4.864 1.00 0.00 N ATOM 56 CA GLU A 4 -6.141 -21.310 -4.244 1.00 0.00 C ATOM 57 C GLU A 4 -6.259 -20.651 -2.827 1.00 0.00 C ATOM 58 O GLU A 4 -5.906 -21.281 -1.826 1.00 0.00 O ATOM 59 CB GLU A 4 -5.217 -20.571 -5.257 1.00 0.00 C ATOM 60 CG GLU A 4 -3.708 -20.599 -4.913 1.00 0.00 C ATOM 61 CD GLU A 4 -2.844 -19.866 -5.927 1.00 0.00 C ATOM 62 OE1 GLU A 4 -2.734 -18.625 -5.830 1.00 0.00 O ATOM 63 OE2 GLU A 4 -2.266 -20.528 -6.815 1.00 0.00 O ATOM 64 H GLU A 4 -8.212 -20.766 -4.815 1.00 0.00 H ATOM 65 HA GLU A 4 -5.691 -22.308 -4.067 1.00 0.00 H ATOM 66 HB2 GLU A 4 -5.335 -21.027 -6.262 1.00 0.00 H ATOM 67 HB3 GLU A 4 -5.550 -19.523 -5.386 1.00 0.00 H ATOM 68 HG2 GLU A 4 -3.511 -20.146 -3.926 1.00 0.00 H ATOM 69 HG3 GLU A 4 -3.338 -21.638 -4.855 1.00 0.00 H ATOM 70 N ASN A 5 -6.777 -19.409 -2.723 1.00 0.00 N ATOM 71 CA ASN A 5 -6.998 -18.720 -1.418 1.00 0.00 C ATOM 72 C ASN A 5 -8.390 -19.087 -0.796 1.00 0.00 C ATOM 73 O ASN A 5 -9.435 -18.945 -1.441 1.00 0.00 O ATOM 74 CB ASN A 5 -6.876 -17.182 -1.615 1.00 0.00 C ATOM 75 CG ASN A 5 -5.462 -16.650 -1.882 1.00 0.00 C ATOM 76 OD1 ASN A 5 -4.684 -16.409 -0.966 1.00 0.00 O ATOM 77 ND2 ASN A 5 -5.085 -16.434 -3.121 1.00 0.00 N ATOM 78 H ASN A 5 -7.037 -18.993 -3.621 1.00 0.00 H ATOM 79 HA ASN A 5 -6.198 -19.023 -0.709 1.00 0.00 H ATOM 80 HB2 ASN A 5 -7.582 -16.826 -2.389 1.00 0.00 H ATOM 81 HB3 ASN A 5 -7.212 -16.674 -0.692 1.00 0.00 H ATOM 82 HD21 ASN A 5 -5.711 -16.764 -3.860 1.00 0.00 H ATOM 83 HD22 ASN A 5 -4.098 -16.178 -3.214 1.00 0.00 H ATOM 84 N LYS A 6 -8.405 -19.518 0.479 1.00 0.00 N ATOM 85 CA LYS A 6 -9.667 -19.793 1.231 1.00 0.00 C ATOM 86 C LYS A 6 -10.220 -18.479 1.904 1.00 0.00 C ATOM 87 O LYS A 6 -9.470 -17.882 2.687 1.00 0.00 O ATOM 88 CB LYS A 6 -9.406 -20.889 2.311 1.00 0.00 C ATOM 89 CG LYS A 6 -9.138 -22.319 1.772 1.00 0.00 C ATOM 90 CD LYS A 6 -8.825 -23.383 2.857 1.00 0.00 C ATOM 91 CE LYS A 6 -10.015 -23.949 3.668 1.00 0.00 C ATOM 92 NZ LYS A 6 -10.814 -24.941 2.896 1.00 0.00 N1+ ATOM 93 H LYS A 6 -7.486 -19.552 0.930 1.00 0.00 H ATOM 94 HA LYS A 6 -10.421 -20.202 0.532 1.00 0.00 H ATOM 95 HB2 LYS A 6 -8.567 -20.569 2.960 1.00 0.00 H ATOM 96 HB3 LYS A 6 -10.279 -20.932 2.990 1.00 0.00 H ATOM 97 HG2 LYS A 6 -9.982 -22.638 1.135 1.00 0.00 H ATOM 98 HG3 LYS A 6 -8.275 -22.272 1.077 1.00 0.00 H ATOM 99 HD2 LYS A 6 -8.257 -24.216 2.395 1.00 0.00 H ATOM 100 HD3 LYS A 6 -8.092 -22.946 3.564 1.00 0.00 H ATOM 101 HE2 LYS A 6 -9.620 -24.423 4.596 1.00 0.00 H ATOM 102 HE3 LYS A 6 -10.655 -23.119 4.041 1.00 0.00 H ATOM 103 HZ1 LYS A 6 -10.248 -25.740 2.580 1.00 0.00 H ATOM 104 HZ2 LYS A 6 -11.588 -25.352 3.436 1.00 0.00 H ATOM 105 HZ3 LYS A 6 -11.248 -24.535 2.054 1.00 0.00 H ATOM 106 N PRO A 7 -11.483 -17.993 1.691 1.00 0.00 N ATOM 107 CA PRO A 7 -11.988 -16.758 2.357 1.00 0.00 C ATOM 108 C PRO A 7 -12.351 -16.946 3.869 1.00 0.00 C ATOM 109 O PRO A 7 -13.167 -17.800 4.228 1.00 0.00 O ATOM 110 CB PRO A 7 -13.192 -16.386 1.471 1.00 0.00 C ATOM 111 CG PRO A 7 -13.692 -17.703 0.877 1.00 0.00 C ATOM 112 CD PRO A 7 -12.426 -18.544 0.693 1.00 0.00 C ATOM 113 HA PRO A 7 -11.234 -15.951 2.250 1.00 0.00 H ATOM 114 HB2 PRO A 7 -13.985 -15.831 2.011 1.00 0.00 H ATOM 115 HB3 PRO A 7 -12.860 -15.723 0.650 1.00 0.00 H ATOM 116 HG2 PRO A 7 -14.382 -18.196 1.589 1.00 0.00 H ATOM 117 HG3 PRO A 7 -14.252 -17.556 -0.066 1.00 0.00 H ATOM 118 HD2 PRO A 7 -12.642 -19.618 0.854 1.00 0.00 H ATOM 119 HD3 PRO A 7 -12.020 -18.427 -0.332 1.00 0.00 H ATOM 120 N ARG A 8 -11.735 -16.137 4.751 1.00 0.00 N ATOM 121 CA ARG A 8 -11.980 -16.208 6.225 1.00 0.00 C ATOM 122 C ARG A 8 -13.230 -15.377 6.690 1.00 0.00 C ATOM 123 O ARG A 8 -14.145 -15.944 7.290 1.00 0.00 O ATOM 124 CB ARG A 8 -10.681 -15.850 7.017 1.00 0.00 C ATOM 125 CG ARG A 8 -9.547 -16.914 7.072 1.00 0.00 C ATOM 126 CD ARG A 8 -8.576 -16.984 5.871 1.00 0.00 C ATOM 127 NE ARG A 8 -7.610 -15.842 5.825 1.00 0.00 N ATOM 128 CZ ARG A 8 -6.352 -15.863 6.275 1.00 0.00 C ATOM 129 NH1 ARG A 8 -5.813 -16.884 6.894 1.00 0.00 N ATOM 130 NH2 ARG A 8 -5.614 -14.806 6.092 1.00 0.00 N ATOM 131 H ARG A 8 -11.031 -15.525 4.331 1.00 0.00 H ATOM 132 HA ARG A 8 -12.226 -17.256 6.496 1.00 0.00 H ATOM 133 HB2 ARG A 8 -10.280 -14.871 6.693 1.00 0.00 H ATOM 134 HB3 ARG A 8 -10.979 -15.675 8.070 1.00 0.00 H ATOM 135 HG2 ARG A 8 -8.954 -16.759 7.995 1.00 0.00 H ATOM 136 HG3 ARG A 8 -10.005 -17.913 7.219 1.00 0.00 H ATOM 137 HD2 ARG A 8 -8.060 -17.965 5.859 1.00 0.00 H ATOM 138 HD3 ARG A 8 -9.157 -17.008 4.931 1.00 0.00 H ATOM 139 HE ARG A 8 -7.858 -14.974 5.347 1.00 0.00 H ATOM 140 HH11 ARG A 8 -6.438 -17.682 7.016 1.00 0.00 H ATOM 141 HH12 ARG A 8 -4.840 -16.812 7.200 1.00 0.00 H ATOM 142 HH21 ARG A 8 -6.040 -14.018 5.601 1.00 0.00 H ATOM 143 HH22 ARG A 8 -4.655 -14.841 6.444 1.00 0.00 H ATOM 144 N ARG A 9 -13.271 -14.053 6.439 1.00 0.00 N ATOM 145 CA ARG A 9 -14.465 -13.202 6.723 1.00 0.00 C ATOM 146 C ARG A 9 -15.623 -13.345 5.658 1.00 0.00 C ATOM 147 O ARG A 9 -15.306 -13.574 4.485 1.00 0.00 O ATOM 148 CB ARG A 9 -13.998 -11.729 6.953 1.00 0.00 C ATOM 149 CG ARG A 9 -13.462 -10.866 5.773 1.00 0.00 C ATOM 150 CD ARG A 9 -11.997 -11.119 5.357 1.00 0.00 C ATOM 151 NE ARG A 9 -11.607 -10.165 4.280 1.00 0.00 N ATOM 152 CZ ARG A 9 -10.446 -10.170 3.621 1.00 0.00 C ATOM 153 NH1 ARG A 9 -9.476 -11.017 3.865 1.00 0.00 N ATOM 154 NH2 ARG A 9 -10.259 -9.284 2.686 1.00 0.00 N ATOM 155 H ARG A 9 -12.524 -13.741 5.819 1.00 0.00 H ATOM 156 HA ARG A 9 -14.875 -13.541 7.695 1.00 0.00 H ATOM 157 HB2 ARG A 9 -14.870 -11.186 7.365 1.00 0.00 H ATOM 158 HB3 ARG A 9 -13.271 -11.703 7.789 1.00 0.00 H ATOM 159 HG2 ARG A 9 -14.138 -10.971 4.904 1.00 0.00 H ATOM 160 HG3 ARG A 9 -13.560 -9.803 6.071 1.00 0.00 H ATOM 161 HD2 ARG A 9 -11.334 -11.001 6.240 1.00 0.00 H ATOM 162 HD3 ARG A 9 -11.881 -12.161 5.004 1.00 0.00 H ATOM 163 HE ARG A 9 -12.254 -9.433 3.973 1.00 0.00 H ATOM 164 HH11 ARG A 9 -9.676 -11.665 4.627 1.00 0.00 H ATOM 165 HH12 ARG A 9 -8.620 -10.945 3.312 1.00 0.00 H ATOM 166 HH21 ARG A 9 -11.021 -8.627 2.509 1.00 0.00 H ATOM 167 HH22 ARG A 9 -9.364 -9.303 2.194 1.00 0.00 H ATOM 168 N PRO A 10 -16.951 -13.202 5.970 1.00 0.00 N ATOM 169 CA PRO A 10 -18.032 -13.348 4.952 1.00 0.00 C ATOM 170 C PRO A 10 -18.148 -12.129 3.974 1.00 0.00 C ATOM 171 O PRO A 10 -18.564 -11.033 4.359 1.00 0.00 O ATOM 172 CB PRO A 10 -19.280 -13.582 5.828 1.00 0.00 C ATOM 173 CG PRO A 10 -18.981 -12.883 7.155 1.00 0.00 C ATOM 174 CD PRO A 10 -17.471 -13.051 7.346 1.00 0.00 C ATOM 175 HA PRO A 10 -17.866 -14.276 4.367 1.00 0.00 H ATOM 176 HB2 PRO A 10 -20.218 -13.221 5.361 1.00 0.00 H ATOM 177 HB3 PRO A 10 -19.422 -14.667 6.000 1.00 0.00 H ATOM 178 HG2 PRO A 10 -19.241 -11.808 7.080 1.00 0.00 H ATOM 179 HG3 PRO A 10 -19.569 -13.298 7.996 1.00 0.00 H ATOM 180 HD2 PRO A 10 -17.040 -12.179 7.875 1.00 0.00 H ATOM 181 HD3 PRO A 10 -17.255 -13.956 7.947 1.00 0.00 H ATOM 182 N TYR A 11 -17.760 -12.344 2.705 1.00 0.00 N ATOM 183 CA TYR A 11 -17.805 -11.296 1.638 1.00 0.00 C ATOM 184 C TYR A 11 -18.462 -11.781 0.302 1.00 0.00 C ATOM 185 O TYR A 11 -19.398 -11.136 -0.176 1.00 0.00 O ATOM 186 CB TYR A 11 -16.424 -10.583 1.478 1.00 0.00 C ATOM 187 CG TYR A 11 -15.218 -11.391 0.949 1.00 0.00 C ATOM 188 CD1 TYR A 11 -14.988 -11.513 -0.425 1.00 0.00 C ATOM 189 CD2 TYR A 11 -14.332 -12.001 1.843 1.00 0.00 C ATOM 190 CE1 TYR A 11 -13.911 -12.260 -0.898 1.00 0.00 C ATOM 191 CE2 TYR A 11 -13.249 -12.737 1.372 1.00 0.00 C ATOM 192 CZ TYR A 11 -13.039 -12.866 0.003 1.00 0.00 C ATOM 193 OH TYR A 11 -11.976 -13.597 -0.455 1.00 0.00 O ATOM 194 H TYR A 11 -17.353 -13.272 2.552 1.00 0.00 H ATOM 195 HA TYR A 11 -18.495 -10.495 1.974 1.00 0.00 H ATOM 196 HB2 TYR A 11 -16.567 -9.698 0.829 1.00 0.00 H ATOM 197 HB3 TYR A 11 -16.160 -10.134 2.455 1.00 0.00 H ATOM 198 HD1 TYR A 11 -15.664 -11.052 -1.133 1.00 0.00 H ATOM 199 HD2 TYR A 11 -14.492 -11.914 2.904 1.00 0.00 H ATOM 200 HE1 TYR A 11 -13.762 -12.368 -1.962 1.00 0.00 H ATOM 201 HE2 TYR A 11 -12.579 -13.221 2.068 1.00 0.00 H ATOM 202 HH TYR A 11 -12.012 -13.631 -1.413 1.00 0.00 H ATOM 203 N ILE A 12 -17.986 -12.887 -0.305 1.00 0.00 N ATOM 204 CA ILE A 12 -18.582 -13.468 -1.546 1.00 0.00 C ATOM 205 C ILE A 12 -19.691 -14.507 -1.157 1.00 0.00 C ATOM 206 O ILE A 12 -19.394 -15.564 -0.591 1.00 0.00 O ATOM 207 CB ILE A 12 -17.443 -13.980 -2.508 1.00 0.00 C ATOM 208 CG1 ILE A 12 -17.933 -14.294 -3.952 1.00 0.00 C ATOM 209 CG2 ILE A 12 -16.626 -15.192 -1.987 1.00 0.00 C ATOM 210 CD1 ILE A 12 -18.240 -13.058 -4.818 1.00 0.00 C ATOM 211 H ILE A 12 -17.214 -13.344 0.187 1.00 0.00 H ATOM 212 HA ILE A 12 -19.069 -12.643 -2.103 1.00 0.00 H ATOM 213 HB ILE A 12 -16.710 -13.153 -2.604 1.00 0.00 H ATOM 214 HG12 ILE A 12 -17.168 -14.882 -4.497 1.00 0.00 H ATOM 215 HG13 ILE A 12 -18.820 -14.958 -3.920 1.00 0.00 H ATOM 216 HG21 ILE A 12 -15.760 -15.416 -2.638 1.00 0.00 H ATOM 217 HG22 ILE A 12 -16.221 -15.018 -0.974 1.00 0.00 H ATOM 218 HG23 ILE A 12 -17.239 -16.113 -1.937 1.00 0.00 H ATOM 219 HD11 ILE A 12 -18.555 -13.356 -5.836 1.00 0.00 H ATOM 220 HD12 ILE A 12 -19.055 -12.439 -4.402 1.00 0.00 H ATOM 221 HD13 ILE A 12 -17.352 -12.408 -4.936 1.00 0.00 H ATOM 222 N LEU A 13 -20.964 -14.172 -1.434 1.00 0.00 N ATOM 223 CA LEU A 13 -22.127 -15.068 -1.166 1.00 0.00 C ATOM 224 C LEU A 13 -22.436 -15.960 -2.406 1.00 0.00 C ATOM 225 O LEU A 13 -22.419 -17.206 -2.270 1.00 0.00 O ATOM 226 CB LEU A 13 -23.369 -14.216 -0.763 1.00 0.00 C ATOM 227 CG LEU A 13 -23.329 -13.472 0.603 1.00 0.00 C ATOM 228 CD1 LEU A 13 -24.426 -12.393 0.659 1.00 0.00 C ATOM 229 CD2 LEU A 13 -23.509 -14.424 1.800 1.00 0.00 C ATOM 230 OXT LEU A 13 -22.705 -15.426 -3.511 1.00 0.00 O ATOM 231 H LEU A 13 -21.090 -13.299 -1.951 1.00 0.00 H ATOM 232 HA LEU A 13 -21.898 -15.745 -0.320 1.00 0.00 H ATOM 233 HB2 LEU A 13 -23.559 -13.489 -1.577 1.00 0.00 H ATOM 234 HB3 LEU A 13 -24.267 -14.865 -0.775 1.00 0.00 H ATOM 235 HG LEU A 13 -22.349 -12.964 0.702 1.00 0.00 H ATOM 236 HD11 LEU A 13 -24.397 -11.823 1.607 1.00 0.00 H ATOM 237 HD12 LEU A 13 -25.440 -12.826 0.565 1.00 0.00 H ATOM 238 HD13 LEU A 13 -24.311 -11.656 -0.157 1.00 0.00 H ATOM 239 HD21 LEU A 13 -23.449 -13.886 2.765 1.00 0.00 H ATOM 240 HD22 LEU A 13 -22.728 -15.206 1.823 1.00 0.00 H ATOM 241 HD23 LEU A 13 -24.487 -14.941 1.774 1.00 0.00 H TER 242 LEU A 13 ENDMDL MODEL 21 HETATM 1 N PCA A 1 -9.087 -15.215 -5.635 1.00 0.00 N HETATM 2 CA PCA A 1 -9.011 -16.623 -6.056 1.00 0.00 C HETATM 3 CB PCA A 1 -7.509 -16.919 -5.842 1.00 0.00 C HETATM 4 CG PCA A 1 -6.820 -15.547 -5.908 1.00 0.00 C HETATM 5 CD PCA A 1 -7.936 -14.604 -5.521 1.00 0.00 C HETATM 6 OE PCA A 1 -7.802 -13.447 -5.137 1.00 0.00 O HETATM 7 C PCA A 1 -9.981 -17.568 -5.287 1.00 0.00 C HETATM 8 O PCA A 1 -10.041 -17.535 -4.057 1.00 0.00 O HETATM 9 H1 PCA A 1 -9.901 -14.717 -5.264 1.00 0.00 H HETATM 10 HA PCA A 1 -9.227 -16.657 -7.142 1.00 0.00 H HETATM 11 HB2 PCA A 1 -7.331 -17.367 -4.846 1.00 0.00 H HETATM 12 HB3 PCA A 1 -7.103 -17.636 -6.580 1.00 0.00 H HETATM 13 HG2 PCA A 1 -5.959 -15.459 -5.220 1.00 0.00 H HETATM 14 HG3 PCA A 1 -6.472 -15.303 -6.929 1.00 0.00 H ATOM 15 N LEU A 2 -10.734 -18.412 -6.013 1.00 0.00 N ATOM 16 CA LEU A 2 -11.703 -19.372 -5.396 1.00 0.00 C ATOM 17 C LEU A 2 -11.060 -20.718 -4.904 1.00 0.00 C ATOM 18 O LEU A 2 -11.300 -21.117 -3.763 1.00 0.00 O ATOM 19 CB LEU A 2 -12.875 -19.557 -6.409 1.00 0.00 C ATOM 20 CG LEU A 2 -14.150 -20.276 -5.888 1.00 0.00 C ATOM 21 CD1 LEU A 2 -14.999 -19.381 -4.964 1.00 0.00 C ATOM 22 CD2 LEU A 2 -15.024 -20.738 -7.068 1.00 0.00 C ATOM 23 H LEU A 2 -10.661 -18.292 -7.028 1.00 0.00 H ATOM 24 HA LEU A 2 -12.134 -18.898 -4.491 1.00 0.00 H ATOM 25 HB2 LEU A 2 -13.186 -18.572 -6.813 1.00 0.00 H ATOM 26 HB3 LEU A 2 -12.484 -20.102 -7.290 1.00 0.00 H ATOM 27 HG LEU A 2 -13.852 -21.181 -5.320 1.00 0.00 H ATOM 28 HD11 LEU A 2 -15.367 -18.474 -5.482 1.00 0.00 H ATOM 29 HD12 LEU A 2 -15.890 -19.916 -4.584 1.00 0.00 H ATOM 30 HD13 LEU A 2 -14.437 -19.043 -4.075 1.00 0.00 H ATOM 31 HD21 LEU A 2 -15.923 -21.284 -6.724 1.00 0.00 H ATOM 32 HD22 LEU A 2 -14.477 -21.426 -7.739 1.00 0.00 H ATOM 33 HD23 LEU A 2 -15.376 -19.890 -7.686 1.00 0.00 H ATOM 34 N TYR A 3 -10.274 -21.422 -5.748 1.00 0.00 N ATOM 35 CA TYR A 3 -9.597 -22.697 -5.361 1.00 0.00 C ATOM 36 C TYR A 3 -8.338 -22.519 -4.439 1.00 0.00 C ATOM 37 O TYR A 3 -8.273 -23.166 -3.391 1.00 0.00 O ATOM 38 CB TYR A 3 -9.333 -23.503 -6.669 1.00 0.00 C ATOM 39 CG TYR A 3 -8.888 -24.964 -6.464 1.00 0.00 C ATOM 40 CD1 TYR A 3 -9.839 -25.982 -6.327 1.00 0.00 C ATOM 41 CD2 TYR A 3 -7.527 -25.287 -6.403 1.00 0.00 C ATOM 42 CE1 TYR A 3 -9.434 -27.300 -6.124 1.00 0.00 C ATOM 43 CE2 TYR A 3 -7.125 -26.604 -6.197 1.00 0.00 C ATOM 44 CZ TYR A 3 -8.079 -27.610 -6.058 1.00 0.00 C ATOM 45 OH TYR A 3 -7.688 -28.905 -5.848 1.00 0.00 O ATOM 46 H TYR A 3 -10.166 -20.996 -6.672 1.00 0.00 H ATOM 47 HA TYR A 3 -10.317 -23.295 -4.766 1.00 0.00 H ATOM 48 HB2 TYR A 3 -10.248 -23.510 -7.294 1.00 0.00 H ATOM 49 HB3 TYR A 3 -8.590 -22.973 -7.296 1.00 0.00 H ATOM 50 HD1 TYR A 3 -10.895 -25.755 -6.369 1.00 0.00 H ATOM 51 HD2 TYR A 3 -6.776 -24.514 -6.496 1.00 0.00 H ATOM 52 HE1 TYR A 3 -10.168 -28.085 -6.013 1.00 0.00 H ATOM 53 HE2 TYR A 3 -6.071 -26.837 -6.139 1.00 0.00 H ATOM 54 HH TYR A 3 -6.730 -28.932 -5.792 1.00 0.00 H ATOM 55 N GLU A 4 -7.350 -21.681 -4.818 1.00 0.00 N ATOM 56 CA GLU A 4 -6.098 -21.485 -4.025 1.00 0.00 C ATOM 57 C GLU A 4 -6.291 -20.667 -2.695 1.00 0.00 C ATOM 58 O GLU A 4 -5.921 -21.144 -1.619 1.00 0.00 O ATOM 59 CB GLU A 4 -5.023 -20.897 -4.990 1.00 0.00 C ATOM 60 CG GLU A 4 -3.554 -20.960 -4.491 1.00 0.00 C ATOM 61 CD GLU A 4 -2.899 -22.333 -4.566 1.00 0.00 C ATOM 62 OE1 GLU A 4 -3.069 -23.134 -3.625 1.00 0.00 O ATOM 63 OE2 GLU A 4 -2.198 -22.605 -5.563 1.00 0.00 O ATOM 64 H GLU A 4 -7.501 -21.223 -5.720 1.00 0.00 H ATOM 65 HA GLU A 4 -5.731 -22.488 -3.723 1.00 0.00 H ATOM 66 HB2 GLU A 4 -5.060 -21.415 -5.970 1.00 0.00 H ATOM 67 HB3 GLU A 4 -5.275 -19.845 -5.223 1.00 0.00 H ATOM 68 HG2 GLU A 4 -2.923 -20.284 -5.094 1.00 0.00 H ATOM 69 HG3 GLU A 4 -3.462 -20.600 -3.451 1.00 0.00 H ATOM 70 N ASN A 5 -6.879 -19.453 -2.751 1.00 0.00 N ATOM 71 CA ASN A 5 -7.183 -18.641 -1.539 1.00 0.00 C ATOM 72 C ASN A 5 -8.587 -19.007 -0.945 1.00 0.00 C ATOM 73 O ASN A 5 -9.618 -18.862 -1.605 1.00 0.00 O ATOM 74 CB ASN A 5 -7.064 -17.144 -1.940 1.00 0.00 C ATOM 75 CG ASN A 5 -7.000 -16.161 -0.767 1.00 0.00 C ATOM 76 OD1 ASN A 5 -5.946 -15.898 -0.201 1.00 0.00 O ATOM 77 ND2 ASN A 5 -8.107 -15.587 -0.362 1.00 0.00 N ATOM 78 H ASN A 5 -7.258 -19.229 -3.675 1.00 0.00 H ATOM 79 HA ASN A 5 -6.396 -18.833 -0.779 1.00 0.00 H ATOM 80 HB2 ASN A 5 -6.135 -16.981 -2.519 1.00 0.00 H ATOM 81 HB3 ASN A 5 -7.880 -16.858 -2.631 1.00 0.00 H ATOM 82 HD21 ASN A 5 -8.977 -15.895 -0.805 1.00 0.00 H ATOM 83 HD22 ASN A 5 -7.985 -14.976 0.450 1.00 0.00 H ATOM 84 N LYS A 6 -8.635 -19.439 0.327 1.00 0.00 N ATOM 85 CA LYS A 6 -9.920 -19.724 1.033 1.00 0.00 C ATOM 86 C LYS A 6 -10.479 -18.425 1.733 1.00 0.00 C ATOM 87 O LYS A 6 -9.745 -17.860 2.555 1.00 0.00 O ATOM 88 CB LYS A 6 -9.698 -20.862 2.073 1.00 0.00 C ATOM 89 CG LYS A 6 -9.420 -22.273 1.488 1.00 0.00 C ATOM 90 CD LYS A 6 -9.128 -23.359 2.554 1.00 0.00 C ATOM 91 CE LYS A 6 -10.344 -23.934 3.315 1.00 0.00 C ATOM 92 NZ LYS A 6 -11.102 -24.911 2.481 1.00 0.00 N1+ ATOM 93 H LYS A 6 -7.725 -19.494 0.796 1.00 0.00 H ATOM 94 HA LYS A 6 -10.659 -20.100 0.301 1.00 0.00 H ATOM 95 HB2 LYS A 6 -8.874 -20.571 2.755 1.00 0.00 H ATOM 96 HB3 LYS A 6 -10.589 -20.922 2.726 1.00 0.00 H ATOM 97 HG2 LYS A 6 -10.245 -22.584 0.819 1.00 0.00 H ATOM 98 HG3 LYS A 6 -8.539 -22.207 0.817 1.00 0.00 H ATOM 99 HD2 LYS A 6 -8.554 -24.184 2.085 1.00 0.00 H ATOM 100 HD3 LYS A 6 -8.411 -22.942 3.290 1.00 0.00 H ATOM 101 HE2 LYS A 6 -9.985 -24.429 4.245 1.00 0.00 H ATOM 102 HE3 LYS A 6 -11.002 -23.114 3.679 1.00 0.00 H ATOM 103 HZ1 LYS A 6 -10.515 -25.693 2.163 1.00 0.00 H ATOM 104 HZ2 LYS A 6 -11.479 -24.488 1.624 1.00 0.00 H ATOM 105 HZ3 LYS A 6 -11.902 -25.338 2.968 1.00 0.00 H ATOM 106 N PRO A 7 -11.734 -17.921 1.504 1.00 0.00 N ATOM 107 CA PRO A 7 -12.238 -16.692 2.184 1.00 0.00 C ATOM 108 C PRO A 7 -12.581 -16.891 3.701 1.00 0.00 C ATOM 109 O PRO A 7 -13.423 -17.718 4.065 1.00 0.00 O ATOM 110 CB PRO A 7 -13.452 -16.312 1.312 1.00 0.00 C ATOM 111 CG PRO A 7 -13.945 -17.630 0.708 1.00 0.00 C ATOM 112 CD PRO A 7 -12.674 -18.455 0.494 1.00 0.00 C ATOM 113 HA PRO A 7 -11.487 -15.883 2.074 1.00 0.00 H ATOM 114 HB2 PRO A 7 -14.247 -15.781 1.871 1.00 0.00 H ATOM 115 HB3 PRO A 7 -13.135 -15.625 0.502 1.00 0.00 H ATOM 116 HG2 PRO A 7 -14.617 -18.141 1.425 1.00 0.00 H ATOM 117 HG3 PRO A 7 -14.523 -17.484 -0.224 1.00 0.00 H ATOM 118 HD2 PRO A 7 -12.882 -19.534 0.630 1.00 0.00 H ATOM 119 HD3 PRO A 7 -12.273 -18.312 -0.530 1.00 0.00 H ATOM 120 N ARG A 8 -11.910 -16.124 4.580 1.00 0.00 N ATOM 121 CA ARG A 8 -12.103 -16.218 6.061 1.00 0.00 C ATOM 122 C ARG A 8 -13.277 -15.322 6.601 1.00 0.00 C ATOM 123 O ARG A 8 -14.172 -15.848 7.266 1.00 0.00 O ATOM 124 CB ARG A 8 -10.715 -15.961 6.727 1.00 0.00 C ATOM 125 CG ARG A 8 -10.588 -16.242 8.252 1.00 0.00 C ATOM 126 CD ARG A 8 -10.414 -17.720 8.683 1.00 0.00 C ATOM 127 NE ARG A 8 -9.046 -18.265 8.407 1.00 0.00 N ATOM 128 CZ ARG A 8 -8.019 -18.288 9.264 1.00 0.00 C ATOM 129 NH1 ARG A 8 -8.072 -17.809 10.482 1.00 0.00 N ATOM 130 NH2 ARG A 8 -6.896 -18.814 8.867 1.00 0.00 N ATOM 131 H ARG A 8 -11.168 -15.563 4.153 1.00 0.00 H ATOM 132 HA ARG A 8 -12.382 -17.261 6.313 1.00 0.00 H ATOM 133 HB2 ARG A 8 -9.931 -16.542 6.201 1.00 0.00 H ATOM 134 HB3 ARG A 8 -10.433 -14.905 6.547 1.00 0.00 H ATOM 135 HG2 ARG A 8 -9.741 -15.651 8.653 1.00 0.00 H ATOM 136 HG3 ARG A 8 -11.472 -15.819 8.770 1.00 0.00 H ATOM 137 HD2 ARG A 8 -10.690 -17.834 9.751 1.00 0.00 H ATOM 138 HD3 ARG A 8 -11.167 -18.347 8.164 1.00 0.00 H ATOM 139 HE ARG A 8 -8.825 -18.664 7.491 1.00 0.00 H ATOM 140 HH11 ARG A 8 -8.972 -17.397 10.736 1.00 0.00 H ATOM 141 HH12 ARG A 8 -7.238 -17.874 11.069 1.00 0.00 H ATOM 142 HH21 ARG A 8 -6.864 -19.183 7.914 1.00 0.00 H ATOM 143 HH22 ARG A 8 -6.123 -18.823 9.536 1.00 0.00 H ATOM 144 N ARG A 9 -13.286 -13.996 6.342 1.00 0.00 N ATOM 145 CA ARG A 9 -14.437 -13.103 6.694 1.00 0.00 C ATOM 146 C ARG A 9 -15.693 -13.256 5.740 1.00 0.00 C ATOM 147 O ARG A 9 -15.508 -13.686 4.594 1.00 0.00 O ATOM 148 CB ARG A 9 -13.892 -11.645 6.843 1.00 0.00 C ATOM 149 CG ARG A 9 -13.464 -10.877 5.560 1.00 0.00 C ATOM 150 CD ARG A 9 -12.827 -9.486 5.787 1.00 0.00 C ATOM 151 NE ARG A 9 -11.427 -9.553 6.304 1.00 0.00 N ATOM 152 CZ ARG A 9 -10.311 -9.490 5.571 1.00 0.00 C ATOM 153 NH1 ARG A 9 -10.298 -9.373 4.266 1.00 0.00 N ATOM 154 NH2 ARG A 9 -9.165 -9.549 6.188 1.00 0.00 N ATOM 155 H ARG A 9 -12.548 -13.699 5.699 1.00 0.00 H ATOM 156 HA ARG A 9 -14.778 -13.403 7.705 1.00 0.00 H ATOM 157 HB2 ARG A 9 -14.661 -11.038 7.357 1.00 0.00 H ATOM 158 HB3 ARG A 9 -13.048 -11.659 7.560 1.00 0.00 H ATOM 159 HG2 ARG A 9 -12.798 -11.501 4.934 1.00 0.00 H ATOM 160 HG3 ARG A 9 -14.371 -10.724 4.947 1.00 0.00 H ATOM 161 HD2 ARG A 9 -12.894 -8.883 4.858 1.00 0.00 H ATOM 162 HD3 ARG A 9 -13.450 -8.910 6.501 1.00 0.00 H ATOM 163 HE ARG A 9 -11.252 -9.649 7.308 1.00 0.00 H ATOM 164 HH11 ARG A 9 -11.224 -9.338 3.835 1.00 0.00 H ATOM 165 HH12 ARG A 9 -9.396 -9.320 3.790 1.00 0.00 H ATOM 166 HH21 ARG A 9 -9.187 -9.637 7.206 1.00 0.00 H ATOM 167 HH22 ARG A 9 -8.321 -9.496 5.613 1.00 0.00 H ATOM 168 N PRO A 10 -16.970 -12.926 6.117 1.00 0.00 N ATOM 169 CA PRO A 10 -18.142 -13.093 5.207 1.00 0.00 C ATOM 170 C PRO A 10 -18.271 -11.955 4.138 1.00 0.00 C ATOM 171 O PRO A 10 -18.765 -10.859 4.417 1.00 0.00 O ATOM 172 CB PRO A 10 -19.313 -13.183 6.207 1.00 0.00 C ATOM 173 CG PRO A 10 -18.874 -12.361 7.421 1.00 0.00 C ATOM 174 CD PRO A 10 -17.358 -12.567 7.498 1.00 0.00 C ATOM 175 HA PRO A 10 -18.085 -14.072 4.688 1.00 0.00 H ATOM 176 HB2 PRO A 10 -20.276 -12.834 5.785 1.00 0.00 H ATOM 177 HB3 PRO A 10 -19.473 -14.238 6.506 1.00 0.00 H ATOM 178 HG2 PRO A 10 -19.109 -11.292 7.253 1.00 0.00 H ATOM 179 HG3 PRO A 10 -19.395 -12.664 8.349 1.00 0.00 H ATOM 180 HD2 PRO A 10 -16.856 -11.650 7.857 1.00 0.00 H ATOM 181 HD3 PRO A 10 -17.116 -13.389 8.201 1.00 0.00 H ATOM 182 N TYR A 11 -17.807 -12.238 2.908 1.00 0.00 N ATOM 183 CA TYR A 11 -17.864 -11.276 1.763 1.00 0.00 C ATOM 184 C TYR A 11 -18.304 -11.949 0.423 1.00 0.00 C ATOM 185 O TYR A 11 -19.327 -11.553 -0.143 1.00 0.00 O ATOM 186 CB TYR A 11 -16.581 -10.388 1.675 1.00 0.00 C ATOM 187 CG TYR A 11 -15.246 -11.039 1.252 1.00 0.00 C ATOM 188 CD1 TYR A 11 -14.500 -11.766 2.180 1.00 0.00 C ATOM 189 CD2 TYR A 11 -14.759 -10.905 -0.055 1.00 0.00 C ATOM 190 CE1 TYR A 11 -13.290 -12.352 1.821 1.00 0.00 C ATOM 191 CE2 TYR A 11 -13.547 -11.492 -0.418 1.00 0.00 C ATOM 192 CZ TYR A 11 -12.812 -12.212 0.522 1.00 0.00 C ATOM 193 OH TYR A 11 -11.616 -12.781 0.181 1.00 0.00 O ATOM 194 H TYR A 11 -17.342 -13.150 2.846 1.00 0.00 H ATOM 195 HA TYR A 11 -18.688 -10.560 1.966 1.00 0.00 H ATOM 196 HB2 TYR A 11 -16.802 -9.541 0.997 1.00 0.00 H ATOM 197 HB3 TYR A 11 -16.440 -9.890 2.654 1.00 0.00 H ATOM 198 HD1 TYR A 11 -14.874 -11.884 3.181 1.00 0.00 H ATOM 199 HD2 TYR A 11 -15.327 -10.356 -0.792 1.00 0.00 H ATOM 200 HE1 TYR A 11 -12.724 -12.917 2.547 1.00 0.00 H ATOM 201 HE2 TYR A 11 -13.185 -11.384 -1.430 1.00 0.00 H ATOM 202 HH TYR A 11 -11.416 -12.559 -0.731 1.00 0.00 H ATOM 203 N ILE A 12 -17.562 -12.954 -0.088 1.00 0.00 N ATOM 204 CA ILE A 12 -17.946 -13.709 -1.319 1.00 0.00 C ATOM 205 C ILE A 12 -18.839 -14.941 -0.935 1.00 0.00 C ATOM 206 O ILE A 12 -18.340 -16.030 -0.638 1.00 0.00 O ATOM 207 CB ILE A 12 -16.685 -13.967 -2.223 1.00 0.00 C ATOM 208 CG1 ILE A 12 -17.079 -14.421 -3.661 1.00 0.00 C ATOM 209 CG2 ILE A 12 -15.615 -14.920 -1.627 1.00 0.00 C ATOM 210 CD1 ILE A 12 -16.040 -14.095 -4.750 1.00 0.00 C ATOM 211 H ILE A 12 -16.727 -13.187 0.458 1.00 0.00 H ATOM 212 HA ILE A 12 -18.578 -13.040 -1.941 1.00 0.00 H ATOM 213 HB ILE A 12 -16.193 -12.979 -2.333 1.00 0.00 H ATOM 214 HG12 ILE A 12 -17.309 -15.505 -3.668 1.00 0.00 H ATOM 215 HG13 ILE A 12 -18.028 -13.940 -3.966 1.00 0.00 H ATOM 216 HG21 ILE A 12 -14.703 -14.964 -2.250 1.00 0.00 H ATOM 217 HG22 ILE A 12 -15.292 -14.604 -0.618 1.00 0.00 H ATOM 218 HG23 ILE A 12 -15.990 -15.956 -1.538 1.00 0.00 H ATOM 219 HD11 ILE A 12 -15.838 -13.009 -4.812 1.00 0.00 H ATOM 220 HD12 ILE A 12 -15.074 -14.603 -4.575 1.00 0.00 H ATOM 221 HD13 ILE A 12 -16.396 -14.412 -5.749 1.00 0.00 H ATOM 222 N LEU A 13 -20.167 -14.723 -0.913 1.00 0.00 N ATOM 223 CA LEU A 13 -21.172 -15.760 -0.553 1.00 0.00 C ATOM 224 C LEU A 13 -21.634 -16.562 -1.810 1.00 0.00 C ATOM 225 O LEU A 13 -22.182 -15.964 -2.769 1.00 0.00 O ATOM 226 CB LEU A 13 -22.344 -15.028 0.171 1.00 0.00 C ATOM 227 CG LEU A 13 -23.408 -15.925 0.864 1.00 0.00 C ATOM 228 CD1 LEU A 13 -22.900 -16.522 2.190 1.00 0.00 C ATOM 229 CD2 LEU A 13 -24.696 -15.128 1.138 1.00 0.00 C ATOM 230 OXT LEU A 13 -21.458 -17.803 -1.829 1.00 0.00 O ATOM 231 H LEU A 13 -20.454 -13.762 -1.120 1.00 0.00 H ATOM 232 HA LEU A 13 -20.722 -16.472 0.167 1.00 0.00 H ATOM 233 HB2 LEU A 13 -21.946 -14.318 0.924 1.00 0.00 H ATOM 234 HB3 LEU A 13 -22.846 -14.382 -0.576 1.00 0.00 H ATOM 235 HG LEU A 13 -23.668 -16.758 0.180 1.00 0.00 H ATOM 236 HD11 LEU A 13 -23.655 -17.180 2.659 1.00 0.00 H ATOM 237 HD12 LEU A 13 -21.993 -17.137 2.040 1.00 0.00 H ATOM 238 HD13 LEU A 13 -22.645 -15.737 2.927 1.00 0.00 H ATOM 239 HD21 LEU A 13 -25.130 -14.730 0.201 1.00 0.00 H ATOM 240 HD22 LEU A 13 -25.477 -15.755 1.607 1.00 0.00 H ATOM 241 HD23 LEU A 13 -24.519 -14.265 1.807 1.00 0.00 H TER 242 LEU A 13 ENDMDL MODEL 22 HETATM 1 N PCA A 1 -1.655 -22.583 -9.387 1.00 0.00 N HETATM 2 CA PCA A 1 -2.955 -22.496 -10.079 1.00 0.00 C HETATM 3 CB PCA A 1 -2.666 -23.314 -11.358 1.00 0.00 C HETATM 4 CG PCA A 1 -1.144 -23.216 -11.550 1.00 0.00 C HETATM 5 CD PCA A 1 -0.649 -22.939 -10.148 1.00 0.00 C HETATM 6 OE PCA A 1 0.514 -23.021 -9.767 1.00 0.00 O HETATM 7 C PCA A 1 -4.233 -22.909 -9.285 1.00 0.00 C HETATM 8 O PCA A 1 -5.231 -22.190 -9.352 1.00 0.00 O HETATM 9 H1 PCA A 1 -1.421 -22.252 -8.446 1.00 0.00 H HETATM 10 HA PCA A 1 -3.099 -21.436 -10.371 1.00 0.00 H HETATM 11 HB2 PCA A 1 -3.231 -22.941 -12.233 1.00 0.00 H HETATM 12 HB3 PCA A 1 -2.956 -24.375 -11.223 1.00 0.00 H HETATM 13 HG2 PCA A 1 -0.700 -24.140 -11.962 1.00 0.00 H HETATM 14 HG3 PCA A 1 -0.861 -22.376 -12.211 1.00 0.00 H ATOM 15 N LEU A 2 -4.231 -24.043 -8.556 1.00 0.00 N ATOM 16 CA LEU A 2 -5.404 -24.480 -7.734 1.00 0.00 C ATOM 17 C LEU A 2 -5.515 -23.766 -6.343 1.00 0.00 C ATOM 18 O LEU A 2 -6.571 -23.205 -6.037 1.00 0.00 O ATOM 19 CB LEU A 2 -5.412 -26.034 -7.601 1.00 0.00 C ATOM 20 CG LEU A 2 -5.720 -26.856 -8.885 1.00 0.00 C ATOM 21 CD1 LEU A 2 -5.323 -28.329 -8.685 1.00 0.00 C ATOM 22 CD2 LEU A 2 -7.207 -26.794 -9.285 1.00 0.00 C ATOM 23 H LEU A 2 -3.350 -24.564 -8.602 1.00 0.00 H ATOM 24 HA LEU A 2 -6.333 -24.202 -8.271 1.00 0.00 H ATOM 25 HB2 LEU A 2 -4.438 -26.351 -7.180 1.00 0.00 H ATOM 26 HB3 LEU A 2 -6.146 -26.329 -6.825 1.00 0.00 H ATOM 27 HG LEU A 2 -5.116 -26.456 -9.724 1.00 0.00 H ATOM 28 HD11 LEU A 2 -5.891 -28.808 -7.865 1.00 0.00 H ATOM 29 HD12 LEU A 2 -4.249 -28.435 -8.443 1.00 0.00 H ATOM 30 HD13 LEU A 2 -5.500 -28.929 -9.597 1.00 0.00 H ATOM 31 HD21 LEU A 2 -7.547 -25.761 -9.478 1.00 0.00 H ATOM 32 HD22 LEU A 2 -7.404 -27.365 -10.212 1.00 0.00 H ATOM 33 HD23 LEU A 2 -7.868 -27.213 -8.502 1.00 0.00 H ATOM 34 N TYR A 3 -4.464 -23.793 -5.497 1.00 0.00 N ATOM 35 CA TYR A 3 -4.451 -23.065 -4.198 1.00 0.00 C ATOM 36 C TYR A 3 -3.890 -21.615 -4.377 1.00 0.00 C ATOM 37 O TYR A 3 -2.729 -21.433 -4.760 1.00 0.00 O ATOM 38 CB TYR A 3 -3.631 -23.913 -3.183 1.00 0.00 C ATOM 39 CG TYR A 3 -3.714 -23.443 -1.718 1.00 0.00 C ATOM 40 CD1 TYR A 3 -2.800 -22.506 -1.218 1.00 0.00 C ATOM 41 CD2 TYR A 3 -4.703 -23.952 -0.869 1.00 0.00 C ATOM 42 CE1 TYR A 3 -2.885 -22.076 0.105 1.00 0.00 C ATOM 43 CE2 TYR A 3 -4.773 -23.534 0.456 1.00 0.00 C ATOM 44 CZ TYR A 3 -3.875 -22.588 0.940 1.00 0.00 C ATOM 45 OH TYR A 3 -3.981 -22.160 2.236 1.00 0.00 O ATOM 46 H TYR A 3 -3.614 -24.195 -5.903 1.00 0.00 H ATOM 47 HA TYR A 3 -5.488 -23.014 -3.802 1.00 0.00 H ATOM 48 HB2 TYR A 3 -3.961 -24.969 -3.230 1.00 0.00 H ATOM 49 HB3 TYR A 3 -2.570 -23.953 -3.502 1.00 0.00 H ATOM 50 HD1 TYR A 3 -2.028 -22.101 -1.859 1.00 0.00 H ATOM 51 HD2 TYR A 3 -5.418 -24.675 -1.237 1.00 0.00 H ATOM 52 HE1 TYR A 3 -2.180 -21.346 0.475 1.00 0.00 H ATOM 53 HE2 TYR A 3 -5.525 -23.936 1.115 1.00 0.00 H ATOM 54 HH TYR A 3 -3.270 -21.540 2.415 1.00 0.00 H ATOM 55 N GLU A 4 -4.711 -20.601 -4.054 1.00 0.00 N ATOM 56 CA GLU A 4 -4.289 -19.168 -4.077 1.00 0.00 C ATOM 57 C GLU A 4 -4.786 -18.377 -2.822 1.00 0.00 C ATOM 58 O GLU A 4 -3.960 -17.883 -2.050 1.00 0.00 O ATOM 59 CB GLU A 4 -4.565 -18.506 -5.461 1.00 0.00 C ATOM 60 CG GLU A 4 -6.033 -18.354 -5.942 1.00 0.00 C ATOM 61 CD GLU A 4 -6.157 -17.669 -7.292 1.00 0.00 C ATOM 62 OE1 GLU A 4 -6.229 -16.422 -7.319 1.00 0.00 O ATOM 63 OE2 GLU A 4 -6.199 -18.370 -8.324 1.00 0.00 O ATOM 64 H GLU A 4 -5.661 -20.884 -3.801 1.00 0.00 H ATOM 65 HA GLU A 4 -3.185 -19.135 -3.977 1.00 0.00 H ATOM 66 HB2 GLU A 4 -4.085 -17.508 -5.471 1.00 0.00 H ATOM 67 HB3 GLU A 4 -4.009 -19.078 -6.231 1.00 0.00 H ATOM 68 HG2 GLU A 4 -6.526 -19.339 -6.025 1.00 0.00 H ATOM 69 HG3 GLU A 4 -6.634 -17.755 -5.240 1.00 0.00 H ATOM 70 N ASN A 5 -6.111 -18.258 -2.599 1.00 0.00 N ATOM 71 CA ASN A 5 -6.690 -17.536 -1.428 1.00 0.00 C ATOM 72 C ASN A 5 -7.901 -18.355 -0.867 1.00 0.00 C ATOM 73 O ASN A 5 -8.888 -18.589 -1.573 1.00 0.00 O ATOM 74 CB ASN A 5 -7.123 -16.095 -1.829 1.00 0.00 C ATOM 75 CG ASN A 5 -5.987 -15.096 -2.088 1.00 0.00 C ATOM 76 OD1 ASN A 5 -5.443 -14.489 -1.172 1.00 0.00 O ATOM 77 ND2 ASN A 5 -5.601 -14.873 -3.323 1.00 0.00 N ATOM 78 H ASN A 5 -6.694 -18.679 -3.329 1.00 0.00 H ATOM 79 HA ASN A 5 -5.929 -17.445 -0.624 1.00 0.00 H ATOM 80 HB2 ASN A 5 -7.820 -16.120 -2.688 1.00 0.00 H ATOM 81 HB3 ASN A 5 -7.720 -15.657 -1.007 1.00 0.00 H ATOM 82 HD21 ASN A 5 -5.984 -15.485 -4.049 1.00 0.00 H ATOM 83 HD22 ASN A 5 -4.786 -14.258 -3.392 1.00 0.00 H ATOM 84 N LYS A 6 -7.838 -18.780 0.409 1.00 0.00 N ATOM 85 CA LYS A 6 -8.956 -19.506 1.087 1.00 0.00 C ATOM 86 C LYS A 6 -9.939 -18.497 1.795 1.00 0.00 C ATOM 87 O LYS A 6 -9.466 -17.774 2.682 1.00 0.00 O ATOM 88 CB LYS A 6 -8.374 -20.503 2.136 1.00 0.00 C ATOM 89 CG LYS A 6 -7.586 -21.730 1.605 1.00 0.00 C ATOM 90 CD LYS A 6 -8.432 -22.898 1.035 1.00 0.00 C ATOM 91 CE LYS A 6 -9.123 -23.825 2.062 1.00 0.00 C ATOM 92 NZ LYS A 6 -8.156 -24.755 2.717 1.00 0.00 N1+ ATOM 93 H LYS A 6 -7.005 -18.473 0.922 1.00 0.00 H ATOM 94 HA LYS A 6 -9.507 -20.113 0.345 1.00 0.00 H ATOM 95 HB2 LYS A 6 -7.717 -19.935 2.825 1.00 0.00 H ATOM 96 HB3 LYS A 6 -9.189 -20.862 2.793 1.00 0.00 H ATOM 97 HG2 LYS A 6 -6.878 -21.385 0.824 1.00 0.00 H ATOM 98 HG3 LYS A 6 -6.918 -22.105 2.405 1.00 0.00 H ATOM 99 HD2 LYS A 6 -9.198 -22.479 0.353 1.00 0.00 H ATOM 100 HD3 LYS A 6 -7.800 -23.503 0.355 1.00 0.00 H ATOM 101 HE2 LYS A 6 -9.677 -23.223 2.815 1.00 0.00 H ATOM 102 HE3 LYS A 6 -9.916 -24.408 1.541 1.00 0.00 H ATOM 103 HZ1 LYS A 6 -7.663 -25.353 2.041 1.00 0.00 H ATOM 104 HZ2 LYS A 6 -7.419 -24.262 3.237 1.00 0.00 H ATOM 105 HZ3 LYS A 6 -8.595 -25.401 3.388 1.00 0.00 H ATOM 106 N PRO A 7 -11.279 -18.417 1.515 1.00 0.00 N ATOM 107 CA PRO A 7 -12.186 -17.452 2.206 1.00 0.00 C ATOM 108 C PRO A 7 -12.382 -17.650 3.750 1.00 0.00 C ATOM 109 O PRO A 7 -12.504 -18.774 4.259 1.00 0.00 O ATOM 110 CB PRO A 7 -13.506 -17.585 1.419 1.00 0.00 C ATOM 111 CG PRO A 7 -13.105 -18.153 0.057 1.00 0.00 C ATOM 112 CD PRO A 7 -11.930 -19.081 0.366 1.00 0.00 C ATOM 113 HA PRO A 7 -11.780 -16.437 2.009 1.00 0.00 H ATOM 114 HB2 PRO A 7 -14.208 -18.282 1.917 1.00 0.00 H ATOM 115 HB3 PRO A 7 -14.037 -16.618 1.325 1.00 0.00 H ATOM 116 HG2 PRO A 7 -13.939 -18.674 -0.449 1.00 0.00 H ATOM 117 HG3 PRO A 7 -12.777 -17.336 -0.617 1.00 0.00 H ATOM 118 HD2 PRO A 7 -12.286 -20.089 0.657 1.00 0.00 H ATOM 119 HD3 PRO A 7 -11.284 -19.188 -0.527 1.00 0.00 H ATOM 120 N ARG A 8 -12.402 -16.528 4.491 1.00 0.00 N ATOM 121 CA ARG A 8 -12.586 -16.523 5.976 1.00 0.00 C ATOM 122 C ARG A 8 -13.621 -15.449 6.456 1.00 0.00 C ATOM 123 O ARG A 8 -14.592 -15.823 7.118 1.00 0.00 O ATOM 124 CB ARG A 8 -11.213 -16.421 6.708 1.00 0.00 C ATOM 125 CG ARG A 8 -10.257 -17.647 6.642 1.00 0.00 C ATOM 126 CD ARG A 8 -10.566 -18.821 7.596 1.00 0.00 C ATOM 127 NE ARG A 8 -11.645 -19.699 7.065 1.00 0.00 N ATOM 128 CZ ARG A 8 -12.149 -20.763 7.694 1.00 0.00 C ATOM 129 NH1 ARG A 8 -11.734 -21.182 8.868 1.00 0.00 N ATOM 130 NH2 ARG A 8 -13.104 -21.427 7.113 1.00 0.00 N ATOM 131 H ARG A 8 -12.288 -15.671 3.942 1.00 0.00 H ATOM 132 HA ARG A 8 -13.049 -17.479 6.289 1.00 0.00 H ATOM 133 HB2 ARG A 8 -10.673 -15.538 6.314 1.00 0.00 H ATOM 134 HB3 ARG A 8 -11.383 -16.174 7.775 1.00 0.00 H ATOM 135 HG2 ARG A 8 -10.140 -18.003 5.598 1.00 0.00 H ATOM 136 HG3 ARG A 8 -9.245 -17.280 6.901 1.00 0.00 H ATOM 137 HD2 ARG A 8 -9.639 -19.418 7.731 1.00 0.00 H ATOM 138 HD3 ARG A 8 -10.819 -18.430 8.604 1.00 0.00 H ATOM 139 HE ARG A 8 -12.054 -19.502 6.138 1.00 0.00 H ATOM 140 HH11 ARG A 8 -10.986 -20.618 9.277 1.00 0.00 H ATOM 141 HH12 ARG A 8 -12.177 -22.004 9.282 1.00 0.00 H ATOM 142 HH21 ARG A 8 -13.422 -21.068 6.210 1.00 0.00 H ATOM 143 HH22 ARG A 8 -13.487 -22.231 7.614 1.00 0.00 H ATOM 144 N ARG A 9 -13.445 -14.140 6.161 1.00 0.00 N ATOM 145 CA ARG A 9 -14.453 -13.089 6.516 1.00 0.00 C ATOM 146 C ARG A 9 -15.762 -13.119 5.627 1.00 0.00 C ATOM 147 O ARG A 9 -15.695 -13.630 4.503 1.00 0.00 O ATOM 148 CB ARG A 9 -13.728 -11.705 6.590 1.00 0.00 C ATOM 149 CG ARG A 9 -13.289 -11.019 5.266 1.00 0.00 C ATOM 150 CD ARG A 9 -12.352 -9.801 5.434 1.00 0.00 C ATOM 151 NE ARG A 9 -13.089 -8.586 5.889 1.00 0.00 N ATOM 152 CZ ARG A 9 -12.525 -7.442 6.284 1.00 0.00 C ATOM 153 NH1 ARG A 9 -11.229 -7.254 6.356 1.00 0.00 N ATOM 154 NH2 ARG A 9 -13.303 -6.452 6.619 1.00 0.00 N ATOM 155 H ARG A 9 -12.635 -13.942 5.568 1.00 0.00 H ATOM 156 HA ARG A 9 -14.781 -13.307 7.551 1.00 0.00 H ATOM 157 HB2 ARG A 9 -14.377 -10.997 7.138 1.00 0.00 H ATOM 158 HB3 ARG A 9 -12.847 -11.813 7.253 1.00 0.00 H ATOM 159 HG2 ARG A 9 -12.768 -11.764 4.633 1.00 0.00 H ATOM 160 HG3 ARG A 9 -14.180 -10.730 4.676 1.00 0.00 H ATOM 161 HD2 ARG A 9 -11.526 -10.064 6.125 1.00 0.00 H ATOM 162 HD3 ARG A 9 -11.868 -9.588 4.457 1.00 0.00 H ATOM 163 HE ARG A 9 -14.113 -8.566 5.875 1.00 0.00 H ATOM 164 HH11 ARG A 9 -10.669 -8.060 6.073 1.00 0.00 H ATOM 165 HH12 ARG A 9 -10.884 -6.347 6.675 1.00 0.00 H ATOM 166 HH21 ARG A 9 -14.310 -6.607 6.549 1.00 0.00 H ATOM 167 HH22 ARG A 9 -12.851 -5.585 6.919 1.00 0.00 H ATOM 168 N PRO A 10 -16.962 -12.603 6.041 1.00 0.00 N ATOM 169 CA PRO A 10 -18.189 -12.655 5.191 1.00 0.00 C ATOM 170 C PRO A 10 -18.202 -11.582 4.049 1.00 0.00 C ATOM 171 O PRO A 10 -18.529 -10.412 4.268 1.00 0.00 O ATOM 172 CB PRO A 10 -19.312 -12.515 6.240 1.00 0.00 C ATOM 173 CG PRO A 10 -18.701 -11.703 7.384 1.00 0.00 C ATOM 174 CD PRO A 10 -17.231 -12.128 7.416 1.00 0.00 C ATOM 175 HA PRO A 10 -18.295 -13.662 4.739 1.00 0.00 H ATOM 176 HB2 PRO A 10 -20.233 -12.052 5.836 1.00 0.00 H ATOM 177 HB3 PRO A 10 -19.608 -13.517 6.610 1.00 0.00 H ATOM 178 HG2 PRO A 10 -18.784 -10.621 7.161 1.00 0.00 H ATOM 179 HG3 PRO A 10 -19.216 -11.874 8.348 1.00 0.00 H ATOM 180 HD2 PRO A 10 -16.584 -11.281 7.710 1.00 0.00 H ATOM 181 HD3 PRO A 10 -17.079 -12.944 8.150 1.00 0.00 H ATOM 182 N TYR A 11 -17.822 -12.005 2.830 1.00 0.00 N ATOM 183 CA TYR A 11 -17.781 -11.121 1.623 1.00 0.00 C ATOM 184 C TYR A 11 -18.401 -11.795 0.354 1.00 0.00 C ATOM 185 O TYR A 11 -19.390 -11.281 -0.175 1.00 0.00 O ATOM 186 CB TYR A 11 -16.377 -10.462 1.427 1.00 0.00 C ATOM 187 CG TYR A 11 -15.187 -11.350 1.005 1.00 0.00 C ATOM 188 CD1 TYR A 11 -14.489 -12.091 1.960 1.00 0.00 C ATOM 189 CD2 TYR A 11 -14.794 -11.431 -0.336 1.00 0.00 C ATOM 190 CE1 TYR A 11 -13.435 -12.920 1.588 1.00 0.00 C ATOM 191 CE2 TYR A 11 -13.741 -12.264 -0.713 1.00 0.00 C ATOM 192 CZ TYR A 11 -13.064 -13.010 0.250 1.00 0.00 C ATOM 193 OH TYR A 11 -12.037 -13.839 -0.110 1.00 0.00 O ATOM 194 H TYR A 11 -17.471 -12.969 2.823 1.00 0.00 H ATOM 195 HA TYR A 11 -18.465 -10.267 1.809 1.00 0.00 H ATOM 196 HB2 TYR A 11 -16.489 -9.638 0.698 1.00 0.00 H ATOM 197 HB3 TYR A 11 -16.112 -9.931 2.362 1.00 0.00 H ATOM 198 HD1 TYR A 11 -14.779 -12.031 2.993 1.00 0.00 H ATOM 199 HD2 TYR A 11 -15.326 -10.869 -1.090 1.00 0.00 H ATOM 200 HE1 TYR A 11 -12.906 -13.496 2.332 1.00 0.00 H ATOM 201 HE2 TYR A 11 -13.465 -12.337 -1.755 1.00 0.00 H ATOM 202 HH TYR A 11 -11.879 -13.747 -1.051 1.00 0.00 H ATOM 203 N ILE A 12 -17.855 -12.930 -0.131 1.00 0.00 N ATOM 204 CA ILE A 12 -18.473 -13.727 -1.236 1.00 0.00 C ATOM 205 C ILE A 12 -19.480 -14.772 -0.641 1.00 0.00 C ATOM 206 O ILE A 12 -19.085 -15.672 0.107 1.00 0.00 O ATOM 207 CB ILE A 12 -17.421 -14.366 -2.218 1.00 0.00 C ATOM 208 CG1 ILE A 12 -16.333 -15.278 -1.570 1.00 0.00 C ATOM 209 CG2 ILE A 12 -16.758 -13.303 -3.132 1.00 0.00 C ATOM 210 CD1 ILE A 12 -15.759 -16.352 -2.513 1.00 0.00 C ATOM 211 H ILE A 12 -17.038 -13.267 0.387 1.00 0.00 H ATOM 212 HA ILE A 12 -19.062 -13.034 -1.873 1.00 0.00 H ATOM 213 HB ILE A 12 -18.015 -15.010 -2.899 1.00 0.00 H ATOM 214 HG12 ILE A 12 -15.512 -14.664 -1.152 1.00 0.00 H ATOM 215 HG13 ILE A 12 -16.753 -15.805 -0.694 1.00 0.00 H ATOM 216 HG21 ILE A 12 -16.132 -12.599 -2.557 1.00 0.00 H ATOM 217 HG22 ILE A 12 -16.106 -13.759 -3.899 1.00 0.00 H ATOM 218 HG23 ILE A 12 -17.506 -12.697 -3.675 1.00 0.00 H ATOM 219 HD11 ILE A 12 -15.026 -16.993 -1.992 1.00 0.00 H ATOM 220 HD12 ILE A 12 -16.554 -17.021 -2.895 1.00 0.00 H ATOM 221 HD13 ILE A 12 -15.246 -15.915 -3.388 1.00 0.00 H ATOM 222 N LEU A 13 -20.775 -14.631 -0.973 1.00 0.00 N ATOM 223 CA LEU A 13 -21.836 -15.596 -0.565 1.00 0.00 C ATOM 224 C LEU A 13 -22.056 -16.671 -1.672 1.00 0.00 C ATOM 225 O LEU A 13 -22.396 -16.319 -2.829 1.00 0.00 O ATOM 226 CB LEU A 13 -23.156 -14.829 -0.252 1.00 0.00 C ATOM 227 CG LEU A 13 -23.174 -13.904 0.999 1.00 0.00 C ATOM 228 CD1 LEU A 13 -24.380 -12.948 0.942 1.00 0.00 C ATOM 229 CD2 LEU A 13 -23.228 -14.696 2.319 1.00 0.00 C ATOM 230 OXT LEU A 13 -21.894 -17.879 -1.378 1.00 0.00 O ATOM 231 H LEU A 13 -20.987 -13.877 -1.631 1.00 0.00 H ATOM 232 HA LEU A 13 -21.535 -16.129 0.357 1.00 0.00 H ATOM 233 HB2 LEU A 13 -23.430 -14.243 -1.152 1.00 0.00 H ATOM 234 HB3 LEU A 13 -23.980 -15.562 -0.152 1.00 0.00 H ATOM 235 HG LEU A 13 -22.254 -13.287 0.998 1.00 0.00 H ATOM 236 HD11 LEU A 13 -24.398 -12.254 1.802 1.00 0.00 H ATOM 237 HD12 LEU A 13 -25.342 -13.494 0.937 1.00 0.00 H ATOM 238 HD13 LEU A 13 -24.356 -12.322 0.030 1.00 0.00 H ATOM 239 HD21 LEU A 13 -23.212 -14.028 3.200 1.00 0.00 H ATOM 240 HD22 LEU A 13 -22.365 -15.379 2.422 1.00 0.00 H ATOM 241 HD23 LEU A 13 -24.142 -15.315 2.393 1.00 0.00 H TER 242 LEU A 13 ENDMDL MODEL 23 HETATM 1 N PCA A 1 -3.434 -26.847 -9.244 1.00 0.00 N HETATM 2 CA PCA A 1 -3.466 -25.722 -8.297 1.00 0.00 C HETATM 3 CB PCA A 1 -4.007 -26.415 -7.028 1.00 0.00 C HETATM 4 CG PCA A 1 -4.788 -27.631 -7.548 1.00 0.00 C HETATM 5 CD PCA A 1 -4.118 -27.901 -8.877 1.00 0.00 C HETATM 6 OE PCA A 1 -4.175 -28.948 -9.514 1.00 0.00 O HETATM 7 C PCA A 1 -2.100 -24.994 -8.116 1.00 0.00 C HETATM 8 O PCA A 1 -1.082 -25.619 -7.806 1.00 0.00 O HETATM 9 H1 PCA A 1 -2.827 -26.963 -10.061 1.00 0.00 H HETATM 10 HA PCA A 1 -4.237 -25.008 -8.655 1.00 0.00 H HETATM 11 HB2 PCA A 1 -3.178 -26.755 -6.375 1.00 0.00 H HETATM 12 HB3 PCA A 1 -4.635 -25.741 -6.414 1.00 0.00 H HETATM 13 HG2 PCA A 1 -4.726 -28.503 -6.873 1.00 0.00 H HETATM 14 HG3 PCA A 1 -5.856 -27.396 -7.712 1.00 0.00 H ATOM 15 N LEU A 2 -2.091 -23.664 -8.316 1.00 0.00 N ATOM 16 CA LEU A 2 -0.864 -22.821 -8.168 1.00 0.00 C ATOM 17 C LEU A 2 -1.093 -21.647 -7.157 1.00 0.00 C ATOM 18 O LEU A 2 -0.416 -21.600 -6.127 1.00 0.00 O ATOM 19 CB LEU A 2 -0.386 -22.394 -9.590 1.00 0.00 C ATOM 20 CG LEU A 2 1.004 -21.705 -9.682 1.00 0.00 C ATOM 21 CD1 LEU A 2 2.167 -22.698 -9.501 1.00 0.00 C ATOM 22 CD2 LEU A 2 1.162 -20.997 -11.039 1.00 0.00 C ATOM 23 H LEU A 2 -3.010 -23.263 -8.524 1.00 0.00 H ATOM 24 HA LEU A 2 -0.049 -23.426 -7.722 1.00 0.00 H ATOM 25 HB2 LEU A 2 -0.377 -23.279 -10.258 1.00 0.00 H ATOM 26 HB3 LEU A 2 -1.156 -21.732 -10.030 1.00 0.00 H ATOM 27 HG LEU A 2 1.079 -20.931 -8.892 1.00 0.00 H ATOM 28 HD11 LEU A 2 2.175 -23.480 -10.285 1.00 0.00 H ATOM 29 HD12 LEU A 2 3.149 -22.190 -9.544 1.00 0.00 H ATOM 30 HD13 LEU A 2 2.127 -23.218 -8.526 1.00 0.00 H ATOM 31 HD21 LEU A 2 0.377 -20.235 -11.198 1.00 0.00 H ATOM 32 HD22 LEU A 2 1.108 -21.704 -11.889 1.00 0.00 H ATOM 33 HD23 LEU A 2 2.132 -20.470 -11.116 1.00 0.00 H ATOM 34 N TYR A 3 -2.022 -20.709 -7.437 1.00 0.00 N ATOM 35 CA TYR A 3 -2.380 -19.604 -6.506 1.00 0.00 C ATOM 36 C TYR A 3 -3.933 -19.569 -6.326 1.00 0.00 C ATOM 37 O TYR A 3 -4.665 -19.235 -7.264 1.00 0.00 O ATOM 38 CB TYR A 3 -1.785 -18.284 -7.078 1.00 0.00 C ATOM 39 CG TYR A 3 -1.896 -17.059 -6.154 1.00 0.00 C ATOM 40 CD1 TYR A 3 -0.901 -16.788 -5.208 1.00 0.00 C ATOM 41 CD2 TYR A 3 -2.994 -16.197 -6.259 1.00 0.00 C ATOM 42 CE1 TYR A 3 -1.009 -15.678 -4.371 1.00 0.00 C ATOM 43 CE2 TYR A 3 -3.095 -15.085 -5.429 1.00 0.00 C ATOM 44 CZ TYR A 3 -2.111 -14.831 -4.479 1.00 0.00 C ATOM 45 OH TYR A 3 -2.244 -13.756 -3.642 1.00 0.00 O ATOM 46 H TYR A 3 -2.528 -20.855 -8.315 1.00 0.00 H ATOM 47 HA TYR A 3 -1.911 -19.769 -5.513 1.00 0.00 H ATOM 48 HB2 TYR A 3 -0.717 -18.439 -7.326 1.00 0.00 H ATOM 49 HB3 TYR A 3 -2.253 -18.059 -8.057 1.00 0.00 H ATOM 50 HD1 TYR A 3 -0.042 -17.438 -5.118 1.00 0.00 H ATOM 51 HD2 TYR A 3 -3.778 -16.395 -6.977 1.00 0.00 H ATOM 52 HE1 TYR A 3 -0.237 -15.480 -3.642 1.00 0.00 H ATOM 53 HE2 TYR A 3 -3.943 -14.421 -5.513 1.00 0.00 H ATOM 54 HH TYR A 3 -1.474 -13.707 -3.071 1.00 0.00 H ATOM 55 N GLU A 4 -4.423 -19.892 -5.116 1.00 0.00 N ATOM 56 CA GLU A 4 -5.873 -19.825 -4.775 1.00 0.00 C ATOM 57 C GLU A 4 -6.060 -19.383 -3.287 1.00 0.00 C ATOM 58 O GLU A 4 -5.515 -19.994 -2.361 1.00 0.00 O ATOM 59 CB GLU A 4 -6.636 -21.131 -5.144 1.00 0.00 C ATOM 60 CG GLU A 4 -6.188 -22.461 -4.482 1.00 0.00 C ATOM 61 CD GLU A 4 -7.027 -23.656 -4.904 1.00 0.00 C ATOM 62 OE1 GLU A 4 -8.048 -23.937 -4.243 1.00 0.00 O ATOM 63 OE2 GLU A 4 -6.660 -24.325 -5.894 1.00 0.00 O ATOM 64 H GLU A 4 -3.729 -20.173 -4.416 1.00 0.00 H ATOM 65 HA GLU A 4 -6.333 -19.039 -5.410 1.00 0.00 H ATOM 66 HB2 GLU A 4 -7.712 -20.979 -4.927 1.00 0.00 H ATOM 67 HB3 GLU A 4 -6.597 -21.257 -6.244 1.00 0.00 H ATOM 68 HG2 GLU A 4 -5.138 -22.688 -4.732 1.00 0.00 H ATOM 69 HG3 GLU A 4 -6.235 -22.393 -3.381 1.00 0.00 H ATOM 70 N ASN A 5 -6.825 -18.299 -3.059 1.00 0.00 N ATOM 71 CA ASN A 5 -7.084 -17.765 -1.690 1.00 0.00 C ATOM 72 C ASN A 5 -8.360 -18.404 -1.054 1.00 0.00 C ATOM 73 O ASN A 5 -9.436 -18.450 -1.660 1.00 0.00 O ATOM 74 CB ASN A 5 -7.203 -16.216 -1.734 1.00 0.00 C ATOM 75 CG ASN A 5 -5.878 -15.469 -1.921 1.00 0.00 C ATOM 76 OD1 ASN A 5 -5.114 -15.263 -0.986 1.00 0.00 O ATOM 77 ND2 ASN A 5 -5.562 -15.037 -3.115 1.00 0.00 N ATOM 78 H ASN A 5 -7.294 -17.929 -3.890 1.00 0.00 H ATOM 79 HA ASN A 5 -6.211 -18.000 -1.043 1.00 0.00 H ATOM 80 HB2 ASN A 5 -7.955 -15.896 -2.480 1.00 0.00 H ATOM 81 HB3 ASN A 5 -7.609 -15.856 -0.770 1.00 0.00 H ATOM 82 HD21 ASN A 5 -6.151 -15.357 -3.886 1.00 0.00 H ATOM 83 HD22 ASN A 5 -4.616 -14.642 -3.167 1.00 0.00 H ATOM 84 N LYS A 6 -8.230 -18.868 0.199 1.00 0.00 N ATOM 85 CA LYS A 6 -9.329 -19.541 0.942 1.00 0.00 C ATOM 86 C LYS A 6 -10.221 -18.495 1.714 1.00 0.00 C ATOM 87 O LYS A 6 -9.656 -17.801 2.571 1.00 0.00 O ATOM 88 CB LYS A 6 -8.642 -20.555 1.904 1.00 0.00 C ATOM 89 CG LYS A 6 -9.552 -21.711 2.382 1.00 0.00 C ATOM 90 CD LYS A 6 -8.864 -22.670 3.386 1.00 0.00 C ATOM 91 CE LYS A 6 -8.838 -22.207 4.858 1.00 0.00 C ATOM 92 NZ LYS A 6 -10.179 -22.361 5.490 1.00 0.00 N1+ ATOM 93 H LYS A 6 -7.295 -18.749 0.602 1.00 0.00 H ATOM 94 HA LYS A 6 -9.938 -20.127 0.227 1.00 0.00 H ATOM 95 HB2 LYS A 6 -7.763 -21.019 1.410 1.00 0.00 H ATOM 96 HB3 LYS A 6 -8.217 -20.009 2.769 1.00 0.00 H ATOM 97 HG2 LYS A 6 -10.505 -21.320 2.788 1.00 0.00 H ATOM 98 HG3 LYS A 6 -9.850 -22.299 1.490 1.00 0.00 H ATOM 99 HD2 LYS A 6 -9.330 -23.673 3.313 1.00 0.00 H ATOM 100 HD3 LYS A 6 -7.823 -22.853 3.048 1.00 0.00 H ATOM 101 HE2 LYS A 6 -8.079 -22.805 5.412 1.00 0.00 H ATOM 102 HE3 LYS A 6 -8.473 -21.158 4.926 1.00 0.00 H ATOM 103 HZ1 LYS A 6 -10.528 -23.327 5.432 1.00 0.00 H ATOM 104 HZ2 LYS A 6 -10.899 -21.786 5.030 1.00 0.00 H ATOM 105 HZ3 LYS A 6 -10.207 -22.112 6.488 1.00 0.00 H ATOM 106 N PRO A 7 -11.568 -18.337 1.511 1.00 0.00 N ATOM 107 CA PRO A 7 -12.373 -17.315 2.244 1.00 0.00 C ATOM 108 C PRO A 7 -12.444 -17.477 3.800 1.00 0.00 C ATOM 109 O PRO A 7 -12.583 -18.589 4.322 1.00 0.00 O ATOM 110 CB PRO A 7 -13.757 -17.411 1.572 1.00 0.00 C ATOM 111 CG PRO A 7 -13.490 -18.021 0.195 1.00 0.00 C ATOM 112 CD PRO A 7 -12.333 -18.995 0.430 1.00 0.00 C ATOM 113 HA PRO A 7 -11.942 -16.324 1.992 1.00 0.00 H ATOM 114 HB2 PRO A 7 -14.442 -18.070 2.142 1.00 0.00 H ATOM 115 HB3 PRO A 7 -14.258 -16.426 1.501 1.00 0.00 H ATOM 116 HG2 PRO A 7 -14.385 -18.511 -0.233 1.00 0.00 H ATOM 117 HG3 PRO A 7 -13.183 -17.233 -0.520 1.00 0.00 H ATOM 118 HD2 PRO A 7 -12.708 -19.980 0.773 1.00 0.00 H ATOM 119 HD3 PRO A 7 -11.763 -19.151 -0.505 1.00 0.00 H ATOM 120 N ARG A 8 -12.331 -16.351 4.527 1.00 0.00 N ATOM 121 CA ARG A 8 -12.377 -16.329 6.021 1.00 0.00 C ATOM 122 C ARG A 8 -13.467 -15.338 6.561 1.00 0.00 C ATOM 123 O ARG A 8 -14.393 -15.786 7.240 1.00 0.00 O ATOM 124 CB ARG A 8 -10.927 -16.119 6.559 1.00 0.00 C ATOM 125 CG ARG A 8 -10.746 -16.356 8.082 1.00 0.00 C ATOM 126 CD ARG A 8 -9.322 -16.103 8.629 1.00 0.00 C ATOM 127 NE ARG A 8 -8.387 -17.227 8.329 1.00 0.00 N ATOM 128 CZ ARG A 8 -7.133 -17.330 8.779 1.00 0.00 C ATOM 129 NH1 ARG A 8 -6.558 -16.433 9.543 1.00 0.00 N ATOM 130 NH2 ARG A 8 -6.436 -18.378 8.445 1.00 0.00 N ATOM 131 H ARG A 8 -12.221 -15.506 3.960 1.00 0.00 H ATOM 132 HA ARG A 8 -12.704 -17.324 6.390 1.00 0.00 H ATOM 133 HB2 ARG A 8 -10.242 -16.804 6.019 1.00 0.00 H ATOM 134 HB3 ARG A 8 -10.576 -15.104 6.291 1.00 0.00 H ATOM 135 HG2 ARG A 8 -11.442 -15.685 8.624 1.00 0.00 H ATOM 136 HG3 ARG A 8 -11.087 -17.374 8.359 1.00 0.00 H ATOM 137 HD2 ARG A 8 -8.929 -15.145 8.231 1.00 0.00 H ATOM 138 HD3 ARG A 8 -9.397 -15.963 9.728 1.00 0.00 H ATOM 139 HE ARG A 8 -8.688 -18.005 7.737 1.00 0.00 H ATOM 140 HH11 ARG A 8 -7.149 -15.634 9.776 1.00 0.00 H ATOM 141 HH12 ARG A 8 -5.595 -16.594 9.846 1.00 0.00 H ATOM 142 HH21 ARG A 8 -6.894 -19.072 7.854 1.00 0.00 H ATOM 143 HH22 ARG A 8 -5.481 -18.436 8.806 1.00 0.00 H ATOM 144 N ARG A 9 -13.383 -14.018 6.282 1.00 0.00 N ATOM 145 CA ARG A 9 -14.464 -13.042 6.637 1.00 0.00 C ATOM 146 C ARG A 9 -15.750 -13.125 5.715 1.00 0.00 C ATOM 147 O ARG A 9 -15.631 -13.620 4.587 1.00 0.00 O ATOM 148 CB ARG A 9 -13.813 -11.625 6.752 1.00 0.00 C ATOM 149 CG ARG A 9 -13.357 -10.903 5.453 1.00 0.00 C ATOM 150 CD ARG A 9 -12.627 -9.558 5.666 1.00 0.00 C ATOM 151 NE ARG A 9 -11.220 -9.757 6.117 1.00 0.00 N ATOM 152 CZ ARG A 9 -10.407 -8.798 6.569 1.00 0.00 C ATOM 153 NH1 ARG A 9 -10.761 -7.543 6.698 1.00 0.00 N ATOM 154 NH2 ARG A 9 -9.191 -9.125 6.903 1.00 0.00 N ATOM 155 H ARG A 9 -12.613 -13.771 5.657 1.00 0.00 H ATOM 156 HA ARG A 9 -14.804 -13.301 7.659 1.00 0.00 H ATOM 157 HB2 ARG A 9 -14.527 -10.958 7.270 1.00 0.00 H ATOM 158 HB3 ARG A 9 -12.961 -11.686 7.456 1.00 0.00 H ATOM 159 HG2 ARG A 9 -12.751 -11.574 4.813 1.00 0.00 H ATOM 160 HG3 ARG A 9 -14.262 -10.692 4.852 1.00 0.00 H ATOM 161 HD2 ARG A 9 -12.627 -8.997 4.708 1.00 0.00 H ATOM 162 HD3 ARG A 9 -13.206 -8.935 6.379 1.00 0.00 H ATOM 163 HE ARG A 9 -10.785 -10.681 6.065 1.00 0.00 H ATOM 164 HH11 ARG A 9 -11.721 -7.343 6.412 1.00 0.00 H ATOM 165 HH12 ARG A 9 -10.075 -6.876 7.057 1.00 0.00 H ATOM 166 HH21 ARG A 9 -8.922 -10.103 6.784 1.00 0.00 H ATOM 167 HH22 ARG A 9 -8.585 -8.376 7.245 1.00 0.00 H ATOM 168 N PRO A 10 -16.986 -12.671 6.103 1.00 0.00 N ATOM 169 CA PRO A 10 -18.190 -12.780 5.227 1.00 0.00 C ATOM 170 C PRO A 10 -18.251 -11.686 4.106 1.00 0.00 C ATOM 171 O PRO A 10 -18.646 -10.540 4.342 1.00 0.00 O ATOM 172 CB PRO A 10 -19.341 -12.724 6.253 1.00 0.00 C ATOM 173 CG PRO A 10 -18.804 -11.891 7.418 1.00 0.00 C ATOM 174 CD PRO A 10 -17.311 -12.223 7.474 1.00 0.00 C ATOM 175 HA PRO A 10 -18.229 -13.782 4.754 1.00 0.00 H ATOM 176 HB2 PRO A 10 -20.281 -12.312 5.835 1.00 0.00 H ATOM 177 HB3 PRO A 10 -19.583 -13.747 6.604 1.00 0.00 H ATOM 178 HG2 PRO A 10 -18.951 -10.813 7.205 1.00 0.00 H ATOM 179 HG3 PRO A 10 -19.327 -12.105 8.369 1.00 0.00 H ATOM 180 HD2 PRO A 10 -16.726 -11.337 7.783 1.00 0.00 H ATOM 181 HD3 PRO A 10 -17.122 -13.032 8.208 1.00 0.00 H ATOM 182 N TYR A 11 -17.840 -12.063 2.883 1.00 0.00 N ATOM 183 CA TYR A 11 -17.842 -11.155 1.694 1.00 0.00 C ATOM 184 C TYR A 11 -18.349 -11.858 0.394 1.00 0.00 C ATOM 185 O TYR A 11 -19.350 -11.418 -0.178 1.00 0.00 O ATOM 186 CB TYR A 11 -16.500 -10.368 1.549 1.00 0.00 C ATOM 187 CG TYR A 11 -15.220 -11.136 1.151 1.00 0.00 C ATOM 188 CD1 TYR A 11 -14.518 -11.863 2.113 1.00 0.00 C ATOM 189 CD2 TYR A 11 -14.741 -11.109 -0.165 1.00 0.00 C ATOM 190 CE1 TYR A 11 -13.361 -12.557 1.776 1.00 0.00 C ATOM 191 CE2 TYR A 11 -13.580 -11.802 -0.505 1.00 0.00 C ATOM 192 CZ TYR A 11 -12.890 -12.524 0.467 1.00 0.00 C ATOM 193 OH TYR A 11 -11.743 -13.199 0.149 1.00 0.00 O ATOM 194 H TYR A 11 -17.451 -13.012 2.857 1.00 0.00 H ATOM 195 HA TYR A 11 -18.609 -10.373 1.872 1.00 0.00 H ATOM 196 HB2 TYR A 11 -16.666 -9.544 0.829 1.00 0.00 H ATOM 197 HB3 TYR A 11 -16.311 -9.831 2.499 1.00 0.00 H ATOM 198 HD1 TYR A 11 -14.883 -11.893 3.123 1.00 0.00 H ATOM 199 HD2 TYR A 11 -15.274 -10.558 -0.927 1.00 0.00 H ATOM 200 HE1 TYR A 11 -12.826 -13.119 2.526 1.00 0.00 H ATOM 201 HE2 TYR A 11 -13.221 -11.775 -1.524 1.00 0.00 H ATOM 202 HH TYR A 11 -11.529 -13.032 -0.771 1.00 0.00 H ATOM 203 N ILE A 12 -17.687 -12.937 -0.076 1.00 0.00 N ATOM 204 CA ILE A 12 -18.143 -13.721 -1.263 1.00 0.00 C ATOM 205 C ILE A 12 -19.112 -14.869 -0.810 1.00 0.00 C ATOM 206 O ILE A 12 -18.684 -15.974 -0.466 1.00 0.00 O ATOM 207 CB ILE A 12 -16.917 -14.108 -2.171 1.00 0.00 C ATOM 208 CG1 ILE A 12 -17.367 -14.598 -3.580 1.00 0.00 C ATOM 209 CG2 ILE A 12 -15.902 -15.103 -1.545 1.00 0.00 C ATOM 210 CD1 ILE A 12 -16.331 -14.389 -4.701 1.00 0.00 C ATOM 211 H ILE A 12 -16.861 -13.201 0.469 1.00 0.00 H ATOM 212 HA ILE A 12 -18.737 -13.040 -1.908 1.00 0.00 H ATOM 213 HB ILE A 12 -16.361 -13.162 -2.334 1.00 0.00 H ATOM 214 HG12 ILE A 12 -17.667 -15.663 -3.535 1.00 0.00 H ATOM 215 HG13 ILE A 12 -18.289 -14.069 -3.892 1.00 0.00 H ATOM 216 HG21 ILE A 12 -15.009 -15.240 -2.183 1.00 0.00 H ATOM 217 HG22 ILE A 12 -16.342 -16.107 -1.396 1.00 0.00 H ATOM 218 HG23 ILE A 12 -15.535 -14.762 -0.560 1.00 0.00 H ATOM 219 HD11 ILE A 12 -15.397 -14.951 -4.520 1.00 0.00 H ATOM 220 HD12 ILE A 12 -16.061 -13.322 -4.815 1.00 0.00 H ATOM 221 HD13 ILE A 12 -16.727 -14.726 -5.677 1.00 0.00 H ATOM 222 N LEU A 13 -20.422 -14.559 -0.781 1.00 0.00 N ATOM 223 CA LEU A 13 -21.489 -15.507 -0.358 1.00 0.00 C ATOM 224 C LEU A 13 -22.028 -16.334 -1.567 1.00 0.00 C ATOM 225 O LEU A 13 -21.938 -17.583 -1.530 1.00 0.00 O ATOM 226 CB LEU A 13 -22.595 -14.666 0.352 1.00 0.00 C ATOM 227 CG LEU A 13 -23.700 -15.459 1.104 1.00 0.00 C ATOM 228 CD1 LEU A 13 -23.205 -16.026 2.448 1.00 0.00 C ATOM 229 CD2 LEU A 13 -24.928 -14.567 1.361 1.00 0.00 C ATOM 230 OXT LEU A 13 -22.551 -15.744 -2.546 1.00 0.00 O ATOM 231 H LEU A 13 -20.646 -13.592 -1.031 1.00 0.00 H ATOM 232 HA LEU A 13 -21.074 -16.215 0.387 1.00 0.00 H ATOM 233 HB2 LEU A 13 -22.135 -13.952 1.063 1.00 0.00 H ATOM 234 HB3 LEU A 13 -23.068 -14.023 -0.417 1.00 0.00 H ATOM 235 HG LEU A 13 -24.027 -16.304 0.464 1.00 0.00 H ATOM 236 HD11 LEU A 13 -22.344 -16.706 2.312 1.00 0.00 H ATOM 237 HD12 LEU A 13 -23.993 -16.610 2.960 1.00 0.00 H ATOM 238 HD13 LEU A 13 -22.885 -15.227 3.142 1.00 0.00 H ATOM 239 HD21 LEU A 13 -24.682 -13.688 1.985 1.00 0.00 H ATOM 240 HD22 LEU A 13 -25.739 -15.119 1.872 1.00 0.00 H ATOM 241 HD23 LEU A 13 -25.353 -14.186 0.413 1.00 0.00 H TER 242 LEU A 13 ENDMDL MODEL 24 HETATM 1 N PCA A 1 -2.524 -24.920 -9.532 1.00 0.00 N HETATM 2 CA PCA A 1 -2.370 -23.543 -9.036 1.00 0.00 C HETATM 3 CB PCA A 1 -3.843 -23.148 -8.790 1.00 0.00 C HETATM 4 CG PCA A 1 -4.655 -24.055 -9.729 1.00 0.00 C HETATM 5 CD PCA A 1 -3.738 -25.243 -9.904 1.00 0.00 C HETATM 6 OE PCA A 1 -4.065 -26.353 -10.311 1.00 0.00 O HETATM 7 C PCA A 1 -1.438 -23.399 -7.796 1.00 0.00 C HETATM 8 O PCA A 1 -1.629 -24.070 -6.777 1.00 0.00 O HETATM 9 H1 PCA A 1 -1.851 -25.689 -9.468 1.00 0.00 H HETATM 10 HA PCA A 1 -1.981 -22.933 -9.876 1.00 0.00 H HETATM 11 HB2 PCA A 1 -4.031 -22.072 -8.966 1.00 0.00 H HETATM 12 HB3 PCA A 1 -4.136 -23.350 -7.739 1.00 0.00 H HETATM 13 HG2 PCA A 1 -5.630 -24.353 -9.304 1.00 0.00 H HETATM 14 HG3 PCA A 1 -4.837 -23.584 -10.713 1.00 0.00 H ATOM 15 N LEU A 2 -0.432 -22.511 -7.885 1.00 0.00 N ATOM 16 CA LEU A 2 0.534 -22.266 -6.770 1.00 0.00 C ATOM 17 C LEU A 2 0.001 -21.264 -5.687 1.00 0.00 C ATOM 18 O LEU A 2 -0.077 -21.634 -4.513 1.00 0.00 O ATOM 19 CB LEU A 2 1.898 -21.868 -7.412 1.00 0.00 C ATOM 20 CG LEU A 2 3.127 -21.824 -6.464 1.00 0.00 C ATOM 21 CD1 LEU A 2 3.630 -23.230 -6.084 1.00 0.00 C ATOM 22 CD2 LEU A 2 4.281 -21.043 -7.117 1.00 0.00 C ATOM 23 H LEU A 2 -0.357 -22.031 -8.786 1.00 0.00 H ATOM 24 HA LEU A 2 0.700 -23.225 -6.239 1.00 0.00 H ATOM 25 HB2 LEU A 2 2.137 -22.556 -8.248 1.00 0.00 H ATOM 26 HB3 LEU A 2 1.775 -20.880 -7.898 1.00 0.00 H ATOM 27 HG LEU A 2 2.850 -21.289 -5.533 1.00 0.00 H ATOM 28 HD11 LEU A 2 2.853 -23.830 -5.577 1.00 0.00 H ATOM 29 HD12 LEU A 2 4.489 -23.182 -5.390 1.00 0.00 H ATOM 30 HD13 LEU A 2 3.962 -23.807 -6.968 1.00 0.00 H ATOM 31 HD21 LEU A 2 4.627 -21.516 -8.056 1.00 0.00 H ATOM 32 HD22 LEU A 2 3.986 -20.006 -7.363 1.00 0.00 H ATOM 33 HD23 LEU A 2 5.158 -20.969 -6.447 1.00 0.00 H ATOM 34 N TYR A 3 -0.353 -20.016 -6.059 1.00 0.00 N ATOM 35 CA TYR A 3 -0.968 -19.035 -5.123 1.00 0.00 C ATOM 36 C TYR A 3 -2.530 -19.141 -5.153 1.00 0.00 C ATOM 37 O TYR A 3 -3.157 -18.894 -6.189 1.00 0.00 O ATOM 38 CB TYR A 3 -0.440 -17.622 -5.510 1.00 0.00 C ATOM 39 CG TYR A 3 -0.764 -16.504 -4.502 1.00 0.00 C ATOM 40 CD1 TYR A 3 0.095 -16.244 -3.429 1.00 0.00 C ATOM 41 CD2 TYR A 3 -1.922 -15.731 -4.654 1.00 0.00 C ATOM 42 CE1 TYR A 3 -0.200 -15.231 -2.519 1.00 0.00 C ATOM 43 CE2 TYR A 3 -2.210 -14.715 -3.747 1.00 0.00 C ATOM 44 CZ TYR A 3 -1.355 -14.468 -2.678 1.00 0.00 C ATOM 45 OH TYR A 3 -1.655 -13.470 -1.791 1.00 0.00 O ATOM 46 H TYR A 3 -0.317 -19.853 -7.069 1.00 0.00 H ATOM 47 HA TYR A 3 -0.605 -19.236 -4.093 1.00 0.00 H ATOM 48 HB2 TYR A 3 0.660 -17.658 -5.644 1.00 0.00 H ATOM 49 HB3 TYR A 3 -0.818 -17.343 -6.514 1.00 0.00 H ATOM 50 HD1 TYR A 3 0.997 -16.827 -3.298 1.00 0.00 H ATOM 51 HD2 TYR A 3 -2.603 -15.921 -5.472 1.00 0.00 H ATOM 52 HE1 TYR A 3 0.471 -15.039 -1.694 1.00 0.00 H ATOM 53 HE2 TYR A 3 -3.095 -14.111 -3.872 1.00 0.00 H ATOM 54 HH TYR A 3 -0.993 -13.457 -1.098 1.00 0.00 H ATOM 55 N GLU A 4 -3.142 -19.474 -4.004 1.00 0.00 N ATOM 56 CA GLU A 4 -4.623 -19.500 -3.834 1.00 0.00 C ATOM 57 C GLU A 4 -5.043 -18.839 -2.480 1.00 0.00 C ATOM 58 O GLU A 4 -4.405 -19.028 -1.438 1.00 0.00 O ATOM 59 CB GLU A 4 -5.207 -20.928 -4.067 1.00 0.00 C ATOM 60 CG GLU A 4 -4.754 -22.122 -3.173 1.00 0.00 C ATOM 61 CD GLU A 4 -5.350 -22.255 -1.769 1.00 0.00 C ATOM 62 OE1 GLU A 4 -6.578 -22.450 -1.643 1.00 0.00 O ATOM 63 OE2 GLU A 4 -4.584 -22.239 -0.782 1.00 0.00 O ATOM 64 H GLU A 4 -2.525 -19.655 -3.206 1.00 0.00 H ATOM 65 HA GLU A 4 -5.068 -18.874 -4.636 1.00 0.00 H ATOM 66 HB2 GLU A 4 -6.313 -20.873 -4.049 1.00 0.00 H ATOM 67 HB3 GLU A 4 -4.977 -21.197 -5.117 1.00 0.00 H ATOM 68 HG2 GLU A 4 -5.015 -23.062 -3.687 1.00 0.00 H ATOM 69 HG3 GLU A 4 -3.653 -22.143 -3.090 1.00 0.00 H ATOM 70 N ASN A 5 -6.121 -18.033 -2.502 1.00 0.00 N ATOM 71 CA ASN A 5 -6.679 -17.397 -1.275 1.00 0.00 C ATOM 72 C ASN A 5 -7.836 -18.267 -0.685 1.00 0.00 C ATOM 73 O ASN A 5 -8.848 -18.514 -1.351 1.00 0.00 O ATOM 74 CB ASN A 5 -7.182 -15.962 -1.595 1.00 0.00 C ATOM 75 CG ASN A 5 -6.098 -14.914 -1.865 1.00 0.00 C ATOM 76 OD1 ASN A 5 -5.534 -14.315 -0.957 1.00 0.00 O ATOM 77 ND2 ASN A 5 -5.788 -14.634 -3.106 1.00 0.00 N ATOM 78 H ASN A 5 -6.598 -17.988 -3.407 1.00 0.00 H ATOM 79 HA ASN A 5 -5.880 -17.292 -0.510 1.00 0.00 H ATOM 80 HB2 ASN A 5 -7.925 -15.980 -2.415 1.00 0.00 H ATOM 81 HB3 ASN A 5 -7.750 -15.581 -0.725 1.00 0.00 H ATOM 82 HD21 ASN A 5 -6.176 -15.246 -3.827 1.00 0.00 H ATOM 83 HD22 ASN A 5 -5.019 -13.964 -3.186 1.00 0.00 H ATOM 84 N LYS A 6 -7.702 -18.688 0.584 1.00 0.00 N ATOM 85 CA LYS A 6 -8.760 -19.457 1.302 1.00 0.00 C ATOM 86 C LYS A 6 -9.782 -18.482 2.002 1.00 0.00 C ATOM 87 O LYS A 6 -9.338 -17.724 2.876 1.00 0.00 O ATOM 88 CB LYS A 6 -8.088 -20.393 2.347 1.00 0.00 C ATOM 89 CG LYS A 6 -7.302 -21.600 1.775 1.00 0.00 C ATOM 90 CD LYS A 6 -6.655 -22.448 2.895 1.00 0.00 C ATOM 91 CE LYS A 6 -5.826 -23.646 2.388 1.00 0.00 C ATOM 92 NZ LYS A 6 -6.705 -24.784 2.002 1.00 0.00 N1+ ATOM 93 H LYS A 6 -6.818 -18.430 1.033 1.00 0.00 H ATOM 94 HA LYS A 6 -9.288 -20.116 0.588 1.00 0.00 H ATOM 95 HB2 LYS A 6 -7.433 -19.792 3.009 1.00 0.00 H ATOM 96 HB3 LYS A 6 -8.873 -20.787 3.023 1.00 0.00 H ATOM 97 HG2 LYS A 6 -7.973 -22.220 1.149 1.00 0.00 H ATOM 98 HG3 LYS A 6 -6.518 -21.245 1.072 1.00 0.00 H ATOM 99 HD2 LYS A 6 -5.981 -21.787 3.477 1.00 0.00 H ATOM 100 HD3 LYS A 6 -7.419 -22.771 3.631 1.00 0.00 H ATOM 101 HE2 LYS A 6 -5.177 -23.330 1.535 1.00 0.00 H ATOM 102 HE3 LYS A 6 -5.114 -23.960 3.184 1.00 0.00 H ATOM 103 HZ1 LYS A 6 -6.185 -25.618 1.701 1.00 0.00 H ATOM 104 HZ2 LYS A 6 -7.315 -24.533 1.212 1.00 0.00 H ATOM 105 HZ3 LYS A 6 -7.328 -25.082 2.763 1.00 0.00 H ATOM 106 N PRO A 7 -11.123 -18.457 1.716 1.00 0.00 N ATOM 107 CA PRO A 7 -12.070 -17.519 2.390 1.00 0.00 C ATOM 108 C PRO A 7 -12.244 -17.700 3.936 1.00 0.00 C ATOM 109 O PRO A 7 -12.368 -18.821 4.439 1.00 0.00 O ATOM 110 CB PRO A 7 -13.388 -17.743 1.621 1.00 0.00 C ATOM 111 CG PRO A 7 -12.970 -18.324 0.270 1.00 0.00 C ATOM 112 CD PRO A 7 -11.753 -19.190 0.596 1.00 0.00 C ATOM 113 HA PRO A 7 -11.718 -16.491 2.168 1.00 0.00 H ATOM 114 HB2 PRO A 7 -14.046 -18.466 2.144 1.00 0.00 H ATOM 115 HB3 PRO A 7 -13.972 -16.809 1.510 1.00 0.00 H ATOM 116 HG2 PRO A 7 -13.781 -18.895 -0.220 1.00 0.00 H ATOM 117 HG3 PRO A 7 -12.681 -17.511 -0.424 1.00 0.00 H ATOM 118 HD2 PRO A 7 -12.059 -20.203 0.926 1.00 0.00 H ATOM 119 HD3 PRO A 7 -11.110 -19.300 -0.298 1.00 0.00 H ATOM 120 N ARG A 8 -12.250 -16.579 4.679 1.00 0.00 N ATOM 121 CA ARG A 8 -12.454 -16.576 6.164 1.00 0.00 C ATOM 122 C ARG A 8 -13.518 -15.515 6.609 1.00 0.00 C ATOM 123 O ARG A 8 -14.510 -15.886 7.241 1.00 0.00 O ATOM 124 CB ARG A 8 -11.096 -16.434 6.922 1.00 0.00 C ATOM 125 CG ARG A 8 -10.182 -17.691 6.901 1.00 0.00 C ATOM 126 CD ARG A 8 -8.827 -17.521 7.624 1.00 0.00 C ATOM 127 NE ARG A 8 -8.959 -17.600 9.111 1.00 0.00 N ATOM 128 CZ ARG A 8 -8.039 -17.199 9.990 1.00 0.00 C ATOM 129 NH1 ARG A 8 -6.896 -16.652 9.651 1.00 0.00 N ATOM 130 NH2 ARG A 8 -8.285 -17.359 11.259 1.00 0.00 N ATOM 131 H ARG A 8 -12.196 -15.723 4.121 1.00 0.00 H ATOM 132 HA ARG A 8 -12.896 -17.545 6.478 1.00 0.00 H ATOM 133 HB2 ARG A 8 -10.541 -15.564 6.523 1.00 0.00 H ATOM 134 HB3 ARG A 8 -11.299 -16.178 7.980 1.00 0.00 H ATOM 135 HG2 ARG A 8 -10.726 -18.574 7.292 1.00 0.00 H ATOM 136 HG3 ARG A 8 -9.976 -17.953 5.843 1.00 0.00 H ATOM 137 HD2 ARG A 8 -8.139 -18.321 7.278 1.00 0.00 H ATOM 138 HD3 ARG A 8 -8.362 -16.570 7.293 1.00 0.00 H ATOM 139 HE ARG A 8 -9.795 -18.014 9.533 1.00 0.00 H ATOM 140 HH11 ARG A 8 -6.755 -16.563 8.644 1.00 0.00 H ATOM 141 HH12 ARG A 8 -6.250 -16.369 10.390 1.00 0.00 H ATOM 142 HH21 ARG A 8 -9.174 -17.798 11.506 1.00 0.00 H ATOM 143 HH22 ARG A 8 -7.567 -17.048 11.916 1.00 0.00 H ATOM 144 N ARG A 9 -13.332 -14.212 6.306 1.00 0.00 N ATOM 145 CA ARG A 9 -14.351 -13.156 6.587 1.00 0.00 C ATOM 146 C ARG A 9 -15.573 -13.167 5.585 1.00 0.00 C ATOM 147 O ARG A 9 -15.321 -13.368 4.392 1.00 0.00 O ATOM 148 CB ARG A 9 -13.648 -11.767 6.704 1.00 0.00 C ATOM 149 CG ARG A 9 -13.061 -11.053 5.450 1.00 0.00 C ATOM 150 CD ARG A 9 -11.680 -11.542 4.964 1.00 0.00 C ATOM 151 NE ARG A 9 -11.223 -10.747 3.783 1.00 0.00 N ATOM 152 CZ ARG A 9 -10.269 -9.812 3.781 1.00 0.00 C ATOM 153 NH1 ARG A 9 -9.642 -9.402 4.856 1.00 0.00 N ATOM 154 NH2 ARG A 9 -9.944 -9.269 2.643 1.00 0.00 N ATOM 155 H ARG A 9 -12.511 -14.032 5.728 1.00 0.00 H ATOM 156 HA ARG A 9 -14.737 -13.362 7.601 1.00 0.00 H ATOM 157 HB2 ARG A 9 -14.401 -11.077 7.133 1.00 0.00 H ATOM 158 HB3 ARG A 9 -12.874 -11.817 7.495 1.00 0.00 H ATOM 159 HG2 ARG A 9 -13.796 -11.093 4.624 1.00 0.00 H ATOM 160 HG3 ARG A 9 -12.979 -9.973 5.684 1.00 0.00 H ATOM 161 HD2 ARG A 9 -10.949 -11.548 5.799 1.00 0.00 H ATOM 162 HD3 ARG A 9 -11.747 -12.603 4.657 1.00 0.00 H ATOM 163 HE ARG A 9 -11.606 -10.940 2.852 1.00 0.00 H ATOM 164 HH11 ARG A 9 -9.946 -9.849 5.722 1.00 0.00 H ATOM 165 HH12 ARG A 9 -8.927 -8.678 4.757 1.00 0.00 H ATOM 166 HH21 ARG A 9 -10.436 -9.602 1.812 1.00 0.00 H ATOM 167 HH22 ARG A 9 -9.215 -8.553 2.658 1.00 0.00 H ATOM 168 N PRO A 10 -16.876 -12.940 5.955 1.00 0.00 N ATOM 169 CA PRO A 10 -18.003 -12.939 4.973 1.00 0.00 C ATOM 170 C PRO A 10 -17.975 -11.789 3.912 1.00 0.00 C ATOM 171 O PRO A 10 -18.106 -10.607 4.244 1.00 0.00 O ATOM 172 CB PRO A 10 -19.260 -12.894 5.870 1.00 0.00 C ATOM 173 CG PRO A 10 -18.796 -13.432 7.222 1.00 0.00 C ATOM 174 CD PRO A 10 -17.359 -12.923 7.353 1.00 0.00 C ATOM 175 HA PRO A 10 -18.002 -13.923 4.463 1.00 0.00 H ATOM 176 HB2 PRO A 10 -19.638 -11.859 5.995 1.00 0.00 H ATOM 177 HB3 PRO A 10 -20.098 -13.482 5.447 1.00 0.00 H ATOM 178 HG2 PRO A 10 -19.445 -13.105 8.056 1.00 0.00 H ATOM 179 HG3 PRO A 10 -18.810 -14.540 7.218 1.00 0.00 H ATOM 180 HD2 PRO A 10 -17.337 -11.891 7.755 1.00 0.00 H ATOM 181 HD3 PRO A 10 -16.796 -13.576 8.044 1.00 0.00 H ATOM 182 N TYR A 11 -17.796 -12.157 2.633 1.00 0.00 N ATOM 183 CA TYR A 11 -17.781 -11.191 1.490 1.00 0.00 C ATOM 184 C TYR A 11 -18.589 -11.684 0.247 1.00 0.00 C ATOM 185 O TYR A 11 -19.449 -10.946 -0.240 1.00 0.00 O ATOM 186 CB TYR A 11 -16.342 -10.671 1.174 1.00 0.00 C ATOM 187 CG TYR A 11 -15.273 -11.672 0.685 1.00 0.00 C ATOM 188 CD1 TYR A 11 -15.181 -12.023 -0.666 1.00 0.00 C ATOM 189 CD2 TYR A 11 -14.374 -12.238 1.595 1.00 0.00 C ATOM 190 CE1 TYR A 11 -14.241 -12.959 -1.092 1.00 0.00 C ATOM 191 CE2 TYR A 11 -13.431 -13.170 1.171 1.00 0.00 C ATOM 192 CZ TYR A 11 -13.367 -13.534 -0.170 1.00 0.00 C ATOM 193 OH TYR A 11 -12.444 -14.457 -0.578 1.00 0.00 O ATOM 194 H TYR A 11 -17.635 -13.161 2.511 1.00 0.00 H ATOM 195 HA TYR A 11 -18.344 -10.288 1.806 1.00 0.00 H ATOM 196 HB2 TYR A 11 -16.424 -9.851 0.435 1.00 0.00 H ATOM 197 HB3 TYR A 11 -15.969 -10.152 2.079 1.00 0.00 H ATOM 198 HD1 TYR A 11 -15.863 -11.591 -1.387 1.00 0.00 H ATOM 199 HD2 TYR A 11 -14.420 -11.962 2.635 1.00 0.00 H ATOM 200 HE1 TYR A 11 -14.202 -13.239 -2.134 1.00 0.00 H ATOM 201 HE2 TYR A 11 -12.752 -13.620 1.882 1.00 0.00 H ATOM 202 HH TYR A 11 -12.516 -14.570 -1.528 1.00 0.00 H ATOM 203 N ILE A 12 -18.333 -12.903 -0.274 1.00 0.00 N ATOM 204 CA ILE A 12 -19.094 -13.478 -1.423 1.00 0.00 C ATOM 205 C ILE A 12 -20.333 -14.283 -0.894 1.00 0.00 C ATOM 206 O ILE A 12 -20.245 -15.479 -0.599 1.00 0.00 O ATOM 207 CB ILE A 12 -18.113 -14.201 -2.420 1.00 0.00 C ATOM 208 CG1 ILE A 12 -18.782 -14.494 -3.796 1.00 0.00 C ATOM 209 CG2 ILE A 12 -17.414 -15.476 -1.873 1.00 0.00 C ATOM 210 CD1 ILE A 12 -17.807 -14.594 -4.985 1.00 0.00 C ATOM 211 H ILE A 12 -17.589 -13.423 0.199 1.00 0.00 H ATOM 212 HA ILE A 12 -19.497 -12.633 -2.021 1.00 0.00 H ATOM 213 HB ILE A 12 -17.305 -13.469 -2.622 1.00 0.00 H ATOM 214 HG12 ILE A 12 -19.397 -15.414 -3.732 1.00 0.00 H ATOM 215 HG13 ILE A 12 -19.510 -13.697 -4.043 1.00 0.00 H ATOM 216 HG21 ILE A 12 -16.652 -15.864 -2.573 1.00 0.00 H ATOM 217 HG22 ILE A 12 -16.895 -15.290 -0.915 1.00 0.00 H ATOM 218 HG23 ILE A 12 -18.131 -16.299 -1.697 1.00 0.00 H ATOM 219 HD11 ILE A 12 -17.223 -13.663 -5.116 1.00 0.00 H ATOM 220 HD12 ILE A 12 -18.349 -14.768 -5.933 1.00 0.00 H ATOM 221 HD13 ILE A 12 -17.086 -15.424 -4.869 1.00 0.00 H ATOM 222 N LEU A 13 -21.474 -13.585 -0.743 1.00 0.00 N ATOM 223 CA LEU A 13 -22.759 -14.185 -0.285 1.00 0.00 C ATOM 224 C LEU A 13 -23.621 -14.634 -1.504 1.00 0.00 C ATOM 225 O LEU A 13 -23.973 -13.793 -2.368 1.00 0.00 O ATOM 226 CB LEU A 13 -23.532 -13.163 0.604 1.00 0.00 C ATOM 227 CG LEU A 13 -22.937 -12.812 1.998 1.00 0.00 C ATOM 228 CD1 LEU A 13 -23.594 -11.537 2.557 1.00 0.00 C ATOM 229 CD2 LEU A 13 -23.117 -13.951 3.020 1.00 0.00 C ATOM 230 OXT LEU A 13 -23.957 -15.839 -1.591 1.00 0.00 O ATOM 231 H LEU A 13 -21.421 -12.597 -1.009 1.00 0.00 H ATOM 232 HA LEU A 13 -22.562 -15.084 0.331 1.00 0.00 H ATOM 233 HB2 LEU A 13 -23.665 -12.234 0.014 1.00 0.00 H ATOM 234 HB3 LEU A 13 -24.566 -13.530 0.754 1.00 0.00 H ATOM 235 HG LEU A 13 -21.853 -12.610 1.881 1.00 0.00 H ATOM 236 HD11 LEU A 13 -23.451 -10.676 1.878 1.00 0.00 H ATOM 237 HD12 LEU A 13 -23.166 -11.245 3.534 1.00 0.00 H ATOM 238 HD13 LEU A 13 -24.685 -11.660 2.699 1.00 0.00 H ATOM 239 HD21 LEU A 13 -24.185 -14.178 3.200 1.00 0.00 H ATOM 240 HD22 LEU A 13 -22.667 -13.700 3.998 1.00 0.00 H ATOM 241 HD23 LEU A 13 -22.639 -14.887 2.679 1.00 0.00 H TER 242 LEU A 13 ENDMDL CONECT 1 2 5 CONECT 2 1 3 7 10 CONECT 3 2 4 11 12 CONECT 4 3 5 13 14 CONECT 5 1 4 6 CONECT 6 5 CONECT 7 2 8 15 CONECT 8 7 CONECT 10 2 CONECT 11 3 CONECT 12 3 CONECT 13 4 CONECT 14 4 CONECT 15 7 MASTER 202 0 1 0 0 0 0 6 119 1 14 1 END