HEADER TRANSFERASE 22-MAY-02 1LUK TITLE NMR STRUCTURE OF THE ITK SH2 DOMAIN, PRO287CIS, ENERGY TITLE 2 MINIMIZED AVERAGE STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: TYROSINE-PROTEIN KINASE ITK/TSK; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: SRC HOMOLOGY 2 (SH2) DOMAIN (RESIDUES 238-344); COMPND 5 SYNONYM: INTERLEUKIN-2 TYROSINE KINASE, T-CELL-SPECIFIC COMPND 6 KINASE, IL-2-INDUCIBLE T-CELL KINASE, KINASE EMT, KINASE COMPND 7 TLK; COMPND 8 EC: 2.7.1.112; COMPND 9 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; SOURCE 3 ORGANISM_COMMON: HOUSE MOUSE; SOURCE 4 ORGANISM_TAXID: 10090; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 511693; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PGEX KEYWDS CIS/TRANS ISOMERIZATION, INTERLEUKIN-2 TYROSINE KINASE, ITK, KEYWDS 2 T-CELL SPECIFIC KINASE, TSK, SRC HOMOLOGY 2, SH2, PROLINE, KEYWDS 3 TRANSFERASE EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR R.J.MALLIS,K.N.BRAZIN,B.F.FULTON,A.H.ANDREOTTI REVDAT 2 24-FEB-09 1LUK 1 VERSN REVDAT 1 27-NOV-02 1LUK 0 JRNL AUTH R.J.MALLIS,K.N.BRAZIN,D.B.FULTON,A.H.ANDREOTTI JRNL TITL STRUCTURAL CHARACTERIZATION OF A PROLINE-DRIVEN JRNL TITL 2 CONFORMATIONAL SWITCH WITHIN THE ITK SH2 DOMAIN JRNL REF NAT.STRUCT.BIOL. V. 9 900 2002 JRNL REFN ISSN 1072-8368 JRNL PMID 12402030 JRNL DOI 10.1038/NSB864 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 1.0 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: THE STRUCTURES ARE BASED ON 2324 NOE REMARK 3 -DERIVED DISTANCE CONSTRAINTS, 59 PHI/PSI DIHEDRAL ANGLE REMARK 3 RESTRAINTS,9 CHI DIHEDRAL ANGLE RESTRAINTS AND 30 DISTANCE REMARK 3 RESTRAINTS FROM HYDROGEN BONDS REMARK 4 REMARK 4 1LUK COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 10-JUN-02. REMARK 100 THE RCSB ID CODE IS RCSB016285. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 7.4 REMARK 210 IONIC STRENGTH : 125MM REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 1 MM ITK SH2, U-15N,13C, REMARK 210 125MM PHOSPHATE BUFFER, PH REMARK 210 7.4; 1 MM ITK SH2, U-15N, REMARK 210 125MM PHOSPHATE BUFFER, PH REMARK 210 7.4; 1 MM ITK SH2, 125MM REMARK 210 PHOSPHATE BUFFER, PH 7.4 REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_13C-SEPARATED_NOESY, 3D_ REMARK 210 15N-SEPARATED_NOESY, DQF-COSY, REMARK 210 2D NOESY, 2D TOCSY REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ REMARK 210 SPECTROMETER MODEL : DRX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : XWINNMR, NMRPIPE, NMRVIEW REMARK 210 4.1.3 REMARK 210 METHOD USED : DISTANCE GEOMETRY AND REMARK 210 SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL 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 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 O PHE A 34 N VAL A 109 1.96 REMARK 500 OG1 THR A 44 O ILE A 66 2.02 REMARK 500 N THR A 69 O ARG A 75 2.08 REMARK 500 N GLY A 32 OG1 THR A 51 2.08 REMARK 500 O ILE A 87 N ILE A 91 2.12 REMARK 500 N ASN A 13 O VAL A 36 2.16 REMARK 500 O THR A 69 N ASP A 71 2.17 REMARK 500 O GLU A 10 O VAL A 109 2.17 REMARK 500 N VAL A 47 O TYR A 64 2.18 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 ASN A 5 140.53 67.26 REMARK 500 GLU A 7 40.39 -60.08 REMARK 500 LYS A 14 -97.21 -62.24 REMARK 500 SER A 15 -10.12 -40.11 REMARK 500 THR A 41 -167.79 -46.27 REMARK 500 PRO A 42 0.39 -45.11 REMARK 500 LYS A 52 106.95 -29.27 REMARK 500 ILE A 54 100.92 89.50 REMARK 500 GLU A 57 88.88 -173.12 REMARK 500 PRO A 59 -170.25 -62.22 REMARK 500 ASN A 70 76.97 -37.63 REMARK 500 ASP A 71 -152.66 -97.11 REMARK 500 LYS A 74 148.22 -20.92 REMARK 500 ARG A 75 -49.55 -164.85 REMARK 500 ALA A 79 25.06 138.48 REMARK 500 GLU A 80 21.89 46.34 REMARK 500 LYS A 81 -77.32 -89.76 REMARK 500 TYR A 96 -80.35 -95.12 REMARK 500 ASN A 97 -86.09 -38.99 REMARK 500 LEU A 101 -162.67 -120.02 REMARK 500 THR A 103 29.99 156.34 REMARK 500 ARG A 104 124.04 37.52 REMARK 500 LEU A 105 70.65 -6.27 REMARK 500 TYR A 107 94.19 -167.23 REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NH2 A 112 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1LUI RELATED DB: PDB REMARK 900 NMR STRUCTURE OF THE ITK SH2 DOMAIN, PRO287CIS, 20 LOW REMARK 900 ENERGY STRUCTURES REMARK 900 RELATED ID: 1LUM RELATED DB: PDB REMARK 900 NMR STRUCTURES OF THE ITK SH2 DOMAIN, PRO287TRANS ISOFORM, REMARK 900 ENSEMBLE OF 20 LOW ENERGY STRUCTURES REMARK 900 RELATED ID: 1LUN RELATED DB: PDB REMARK 900 NMR STRUCTURES OF THE ITK SH2 DOMAIN, PRO287TRANS ISOFORM, REMARK 900 MINIMIZED AVERAGE STRUCTURE DBREF 1LUK A 4 110 UNP Q03526 ITK_MOUSE 238 344 SEQADV 1LUK GLY A 111 UNP Q03526 CLONING ARTIFACT SEQRES 1 A 110 ACE ASN ASN LEU GLU THR TYR GLU TRP TYR ASN LYS SER SEQRES 2 A 110 ILE SER ARG ASP LYS ALA GLU LYS LEU LEU LEU ASP THR SEQRES 3 A 110 GLY LYS GLU GLY ALA PHE MET VAL ARG ASP SER ARG THR SEQRES 4 A 110 PRO GLY THR TYR THR VAL SER VAL PHE THR LYS ALA ILE SEQRES 5 A 110 ILE SER GLU ASN PRO CYS ILE LYS HIS TYR HIS ILE LYS SEQRES 6 A 110 GLU THR ASN ASP SER PRO LYS ARG TYR TYR VAL ALA GLU SEQRES 7 A 110 LYS TYR VAL PHE ASP SER ILE PRO LEU LEU ILE GLN TYR SEQRES 8 A 110 HIS GLN TYR ASN GLY GLY GLY LEU VAL THR ARG LEU ARG SEQRES 9 A 110 TYR PRO VAL CYS GLY NH2 HET ACE A 3 6 HET NH2 A 112 3 HETNAM ACE ACETYL GROUP HETNAM NH2 AMINO GROUP FORMUL 1 ACE C2 H4 O FORMUL 1 NH2 H2 N HELIX 1 1 SER A 17 GLY A 29 1 13 HELIX 2 2 SER A 86 TYR A 96 1 11 SHEET 1 A 4 ILE A 61 HIS A 65 0 SHEET 2 A 4 TYR A 45 PHE A 50 -1 N VAL A 47 O TYR A 64 SHEET 3 A 4 ALA A 33 ASP A 38 -1 N ALA A 33 O PHE A 50 SHEET 4 A 4 TYR A 107 PRO A 108 1 O TYR A 107 N PHE A 34 SHEET 1 B 2 LYS A 67 GLU A 68 0 SHEET 2 B 2 TYR A 76 TYR A 77 -1 O TYR A 77 N LYS A 67 LINK C ACE A 3 N ASN A 4 1555 1555 1.33 LINK C GLY A 111 N NH2 A 112 1555 1555 1.33 CISPEP 1 ASN A 58 PRO A 59 0 0.14 CISPEP 2 SER A 72 PRO A 73 0 -0.04 SITE 1 AC2 1 GLY A 111 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 HETATM 1 C ACE A 3 -12.867 11.495 5.447 1.00 3.09 C HETATM 2 O ACE A 3 -12.207 11.680 6.469 1.00 3.42 O HETATM 3 CH3 ACE A 3 -13.790 12.565 4.920 1.00 3.71 C HETATM 4 H1 ACE A 3 -13.451 13.532 5.254 1.00 3.91 H HETATM 5 H2 ACE A 3 -14.793 12.384 5.287 1.00 4.04 H HETATM 6 H3 ACE A 3 -13.789 12.545 3.843 1.00 4.07 H ATOM 7 N ASN A 4 -12.819 10.365 4.749 1.00 2.64 N ATOM 8 CA ASN A 4 -11.968 9.252 5.152 1.00 2.25 C ATOM 9 C ASN A 4 -10.515 9.697 5.281 1.00 1.62 C ATOM 10 O ASN A 4 -10.078 10.125 6.349 1.00 2.21 O ATOM 11 CB ASN A 4 -12.075 8.108 4.142 1.00 2.66 C ATOM 12 CG ASN A 4 -13.342 7.294 4.321 1.00 3.36 C ATOM 13 OD1 ASN A 4 -13.297 6.068 4.418 1.00 3.83 O ATOM 14 ND2 ASN A 4 -14.481 7.975 4.364 1.00 3.94 N ATOM 15 H ASN A 4 -13.368 10.279 3.941 1.00 2.94 H ATOM 16 HA ASN A 4 -12.312 8.904 6.115 1.00 2.56 H ATOM 17 HB2 ASN A 4 -12.070 8.517 3.143 1.00 2.89 H ATOM 18 HB3 ASN A 4 -11.226 7.451 4.261 1.00 2.76 H ATOM 19 HD21 ASN A 4 -14.442 8.950 4.279 1.00 3.98 H ATOM 20 HD22 ASN A 4 -15.316 7.473 4.478 1.00 4.54 H ATOM 21 N ASN A 5 -9.771 9.593 4.184 1.00 1.28 N ATOM 22 CA ASN A 5 -8.367 9.985 4.173 1.00 1.33 C ATOM 23 C ASN A 5 -7.534 9.054 5.048 1.00 1.23 C ATOM 24 O ASN A 5 -7.968 8.644 6.125 1.00 2.10 O ATOM 25 CB ASN A 5 -8.215 11.429 4.654 1.00 1.93 C ATOM 26 CG ASN A 5 -9.188 12.371 3.973 1.00 2.43 C ATOM 27 OD1 ASN A 5 -10.055 11.942 3.212 1.00 2.97 O ATOM 28 ND2 ASN A 5 -9.048 13.664 4.243 1.00 2.90 N ATOM 29 H ASN A 5 -10.177 9.244 3.363 1.00 1.80 H ATOM 30 HA ASN A 5 -8.012 9.915 3.155 1.00 1.67 H ATOM 31 HB2 ASN A 5 -8.391 11.468 5.719 1.00 2.21 H ATOM 32 HB3 ASN A 5 -7.210 11.767 4.448 1.00 2.41 H ATOM 33 HD21 ASN A 5 -8.334 13.934 4.858 1.00 3.04 H ATOM 34 HD22 ASN A 5 -9.664 14.295 3.816 1.00 3.42 H ATOM 35 N LEU A 6 -6.335 8.724 4.579 1.00 0.55 N ATOM 36 CA LEU A 6 -5.439 7.842 5.319 1.00 0.47 C ATOM 37 C LEU A 6 -4.117 8.526 5.598 1.00 0.67 C ATOM 38 O LEU A 6 -3.147 7.886 6.003 1.00 1.58 O ATOM 39 CB LEU A 6 -5.182 6.562 4.534 1.00 0.59 C ATOM 40 CG LEU A 6 -5.814 6.522 3.153 1.00 0.35 C ATOM 41 CD1 LEU A 6 -4.885 5.833 2.170 1.00 0.37 C ATOM 42 CD2 LEU A 6 -7.147 5.812 3.233 1.00 0.37 C ATOM 43 H LEU A 6 -6.045 9.083 3.715 1.00 0.98 H ATOM 44 HA LEU A 6 -5.912 7.596 6.256 1.00 0.58 H ATOM 45 HB2 LEU A 6 -4.115 6.440 4.422 1.00 0.92 H ATOM 46 HB3 LEU A 6 -5.566 5.729 5.101 1.00 0.94 H ATOM 47 HG LEU A 6 -5.986 7.530 2.808 1.00 0.52 H ATOM 48 HD11 LEU A 6 -3.953 5.602 2.663 1.00 1.04 H ATOM 49 HD12 LEU A 6 -4.697 6.489 1.333 1.00 1.05 H ATOM 50 HD13 LEU A 6 -5.344 4.921 1.818 1.00 0.99 H ATOM 51 HD21 LEU A 6 -7.940 6.543 3.261 1.00 1.11 H ATOM 52 HD22 LEU A 6 -7.172 5.217 4.135 1.00 1.15 H ATOM 53 HD23 LEU A 6 -7.269 5.173 2.374 1.00 0.96 H ATOM 54 N GLU A 7 -4.075 9.825 5.365 1.00 0.48 N ATOM 55 CA GLU A 7 -2.856 10.589 5.582 1.00 0.48 C ATOM 56 C GLU A 7 -2.402 10.511 7.036 1.00 0.52 C ATOM 57 O GLU A 7 -1.952 11.502 7.611 1.00 0.97 O ATOM 58 CB GLU A 7 -3.056 12.049 5.170 1.00 0.64 C ATOM 59 CG GLU A 7 -4.414 12.610 5.559 1.00 0.88 C ATOM 60 CD GLU A 7 -4.541 14.090 5.256 1.00 1.63 C ATOM 61 OE1 GLU A 7 -4.036 14.905 6.056 1.00 2.26 O ATOM 62 OE2 GLU A 7 -5.146 14.434 4.219 1.00 2.35 O ATOM 63 H GLU A 7 -4.877 10.277 5.029 1.00 1.11 H ATOM 64 HA GLU A 7 -2.092 10.150 4.964 1.00 0.52 H ATOM 65 HB2 GLU A 7 -2.294 12.651 5.642 1.00 0.87 H ATOM 66 HB3 GLU A 7 -2.952 12.126 4.098 1.00 0.80 H ATOM 67 HG2 GLU A 7 -5.179 12.079 5.011 1.00 1.23 H ATOM 68 HG3 GLU A 7 -4.562 12.459 6.618 1.00 1.19 H ATOM 69 N THR A 8 -2.517 9.325 7.623 1.00 0.42 N ATOM 70 CA THR A 8 -2.113 9.112 9.005 1.00 0.55 C ATOM 71 C THR A 8 -1.572 7.698 9.214 1.00 0.52 C ATOM 72 O THR A 8 -1.254 7.313 10.339 1.00 0.81 O ATOM 73 CB THR A 8 -3.293 9.362 9.946 1.00 0.70 C ATOM 74 OG1 THR A 8 -3.114 8.669 11.168 1.00 1.22 O ATOM 75 CG2 THR A 8 -4.623 8.934 9.365 1.00 1.09 C ATOM 76 H THR A 8 -2.880 8.576 7.114 1.00 0.63 H ATOM 77 HA THR A 8 -1.330 9.820 9.231 1.00 0.65 H ATOM 78 HB THR A 8 -3.350 10.420 10.161 1.00 1.07 H ATOM 79 HG1 THR A 8 -2.852 7.763 10.987 1.00 1.59 H ATOM 80 HG21 THR A 8 -4.604 9.055 8.292 1.00 1.53 H ATOM 81 HG22 THR A 8 -5.411 9.544 9.782 1.00 1.65 H ATOM 82 HG23 THR A 8 -4.805 7.897 9.607 1.00 1.65 H ATOM 83 N TYR A 9 -1.470 6.922 8.133 1.00 0.30 N ATOM 84 CA TYR A 9 -0.969 5.558 8.230 1.00 0.26 C ATOM 85 C TYR A 9 0.521 5.493 7.959 1.00 0.26 C ATOM 86 O TYR A 9 1.009 6.007 6.952 1.00 0.27 O ATOM 87 CB TYR A 9 -1.725 4.644 7.272 1.00 0.23 C ATOM 88 CG TYR A 9 -3.200 4.631 7.579 1.00 0.23 C ATOM 89 CD1 TYR A 9 -3.694 3.848 8.612 1.00 0.30 C ATOM 90 CD2 TYR A 9 -4.094 5.428 6.869 1.00 0.24 C ATOM 91 CE1 TYR A 9 -5.035 3.849 8.929 1.00 0.33 C ATOM 92 CE2 TYR A 9 -5.440 5.436 7.187 1.00 0.27 C ATOM 93 CZ TYR A 9 -5.904 4.646 8.215 1.00 0.30 C ATOM 94 OH TYR A 9 -7.243 4.653 8.532 1.00 0.35 O ATOM 95 H TYR A 9 -1.739 7.269 7.257 1.00 0.40 H ATOM 96 HA TYR A 9 -1.151 5.220 9.240 1.00 0.28 H ATOM 97 HB2 TYR A 9 -1.587 4.989 6.257 1.00 0.23 H ATOM 98 HB3 TYR A 9 -1.345 3.628 7.364 1.00 0.25 H ATOM 99 HD1 TYR A 9 -3.011 3.225 9.170 1.00 0.36 H ATOM 100 HD2 TYR A 9 -3.726 6.050 6.060 1.00 0.27 H ATOM 101 HE1 TYR A 9 -5.396 3.232 9.736 1.00 0.41 H ATOM 102 HE2 TYR A 9 -6.122 6.056 6.629 1.00 0.32 H ATOM 103 HH TYR A 9 -7.353 4.449 9.464 1.00 0.85 H ATOM 104 N GLU A 10 1.235 4.851 8.867 1.00 0.26 N ATOM 105 CA GLU A 10 2.671 4.700 8.743 1.00 0.28 C ATOM 106 C GLU A 10 3.053 4.381 7.304 1.00 0.25 C ATOM 107 O GLU A 10 4.203 4.558 6.902 1.00 0.30 O ATOM 108 CB GLU A 10 3.149 3.580 9.667 1.00 0.30 C ATOM 109 CG GLU A 10 4.277 2.749 9.087 1.00 1.04 C ATOM 110 CD GLU A 10 5.336 2.405 10.115 1.00 1.38 C ATOM 111 OE1 GLU A 10 4.969 1.936 11.212 1.00 1.83 O ATOM 112 OE2 GLU A 10 6.534 2.604 9.822 1.00 1.93 O ATOM 113 H GLU A 10 0.780 4.462 9.643 1.00 0.27 H ATOM 114 HA GLU A 10 3.136 5.628 9.037 1.00 0.30 H ATOM 115 HB2 GLU A 10 3.489 4.013 10.595 1.00 1.02 H ATOM 116 HB3 GLU A 10 2.316 2.920 9.870 1.00 1.02 H ATOM 117 HG2 GLU A 10 3.864 1.829 8.695 1.00 1.56 H ATOM 118 HG3 GLU A 10 4.740 3.304 8.284 1.00 1.53 H ATOM 119 N TRP A 11 2.089 3.876 6.539 1.00 0.20 N ATOM 120 CA TRP A 11 2.333 3.496 5.159 1.00 0.19 C ATOM 121 C TRP A 11 1.868 4.547 4.146 1.00 0.19 C ATOM 122 O TRP A 11 2.411 4.632 3.047 1.00 0.22 O ATOM 123 CB TRP A 11 1.600 2.196 4.892 1.00 0.18 C ATOM 124 CG TRP A 11 0.228 2.173 5.502 1.00 0.17 C ATOM 125 CD1 TRP A 11 -0.161 1.596 6.683 1.00 0.19 C ATOM 126 CD2 TRP A 11 -0.944 2.749 4.936 1.00 0.17 C ATOM 127 NE1 TRP A 11 -1.519 1.772 6.864 1.00 0.20 N ATOM 128 CE2 TRP A 11 -2.017 2.482 5.804 1.00 0.18 C ATOM 129 CE3 TRP A 11 -1.182 3.465 3.771 1.00 0.17 C ATOM 130 CZ2 TRP A 11 -3.315 2.909 5.531 1.00 0.20 C ATOM 131 CZ3 TRP A 11 -2.466 3.889 3.498 1.00 0.18 C ATOM 132 CH2 TRP A 11 -3.518 3.609 4.375 1.00 0.19 C ATOM 133 H TRP A 11 1.192 3.723 6.921 1.00 0.20 H ATOM 134 HA TRP A 11 3.391 3.329 5.037 1.00 0.21 H ATOM 135 HB2 TRP A 11 1.493 2.066 3.825 1.00 0.19 H ATOM 136 HB3 TRP A 11 2.167 1.376 5.294 1.00 0.20 H ATOM 137 HD1 TRP A 11 0.502 1.074 7.356 1.00 0.21 H ATOM 138 HE1 TRP A 11 -2.042 1.448 7.629 1.00 0.22 H ATOM 139 HE3 TRP A 11 -0.379 3.690 3.090 1.00 0.18 H ATOM 140 HZ2 TRP A 11 -4.141 2.703 6.196 1.00 0.22 H ATOM 141 HZ3 TRP A 11 -2.668 4.443 2.595 1.00 0.20 H ATOM 142 HH2 TRP A 11 -4.506 3.951 4.117 1.00 0.21 H ATOM 143 N TYR A 12 0.839 5.311 4.488 1.00 0.21 N ATOM 144 CA TYR A 12 0.296 6.304 3.559 1.00 0.23 C ATOM 145 C TYR A 12 1.270 7.431 3.227 1.00 0.26 C ATOM 146 O TYR A 12 2.022 7.905 4.078 1.00 0.33 O ATOM 147 CB TYR A 12 -0.996 6.905 4.094 1.00 0.28 C ATOM 148 CG TYR A 12 -1.704 7.745 3.061 1.00 0.31 C ATOM 149 CD1 TYR A 12 -2.435 7.149 2.043 1.00 0.55 C ATOM 150 CD2 TYR A 12 -1.631 9.130 3.093 1.00 0.73 C ATOM 151 CE1 TYR A 12 -3.078 7.910 1.088 1.00 0.60 C ATOM 152 CE2 TYR A 12 -2.271 9.900 2.141 1.00 0.76 C ATOM 153 CZ TYR A 12 -2.994 9.285 1.141 1.00 0.45 C ATOM 154 OH TYR A 12 -3.632 10.048 0.190 1.00 0.53 O ATOM 155 H TYR A 12 0.413 5.185 5.361 1.00 0.24 H ATOM 156 HA TYR A 12 0.066 5.787 2.641 1.00 0.22 H ATOM 157 HB2 TYR A 12 -1.662 6.111 4.398 1.00 0.29 H ATOM 158 HB3 TYR A 12 -0.774 7.534 4.943 1.00 0.34 H ATOM 159 HD1 TYR A 12 -2.497 6.072 2.003 1.00 0.93 H ATOM 160 HD2 TYR A 12 -1.062 9.607 3.876 1.00 1.12 H ATOM 161 HE1 TYR A 12 -3.641 7.427 0.306 1.00 0.98 H ATOM 162 HE2 TYR A 12 -2.201 10.976 2.183 1.00 1.16 H ATOM 163 HH TYR A 12 -4.572 10.081 0.384 1.00 0.98 H ATOM 164 N ASN A 13 1.215 7.860 1.965 1.00 0.28 N ATOM 165 CA ASN A 13 2.047 8.941 1.456 1.00 0.33 C ATOM 166 C ASN A 13 1.282 9.742 0.400 1.00 0.38 C ATOM 167 O ASN A 13 1.206 9.341 -0.761 1.00 0.42 O ATOM 168 CB ASN A 13 3.326 8.374 0.858 1.00 0.33 C ATOM 169 CG ASN A 13 4.551 8.762 1.654 1.00 0.64 C ATOM 170 OD1 ASN A 13 4.984 9.915 1.637 1.00 1.33 O ATOM 171 ND2 ASN A 13 5.110 7.798 2.363 1.00 0.97 N ATOM 172 H ASN A 13 0.583 7.432 1.352 1.00 0.30 H ATOM 173 HA ASN A 13 2.298 9.590 2.279 1.00 0.38 H ATOM 174 HB2 ASN A 13 3.255 7.297 0.842 1.00 0.48 H ATOM 175 HB3 ASN A 13 3.439 8.736 -0.148 1.00 0.56 H ATOM 176 HD21 ASN A 13 4.701 6.910 2.330 1.00 1.35 H ATOM 177 HD22 ASN A 13 5.908 8.010 2.888 1.00 1.21 H ATOM 178 N LYS A 14 0.696 10.863 0.818 1.00 0.46 N ATOM 179 CA LYS A 14 -0.089 11.709 -0.082 1.00 0.55 C ATOM 180 C LYS A 14 0.750 12.278 -1.228 1.00 0.54 C ATOM 181 O LYS A 14 0.957 11.617 -2.245 1.00 1.18 O ATOM 182 CB LYS A 14 -0.736 12.850 0.703 1.00 0.72 C ATOM 183 CG LYS A 14 -2.235 12.686 0.891 1.00 1.57 C ATOM 184 CD LYS A 14 -3.007 13.817 0.231 1.00 1.91 C ATOM 185 CE LYS A 14 -3.937 14.506 1.216 1.00 2.03 C ATOM 186 NZ LYS A 14 -3.517 15.907 1.491 1.00 2.63 N ATOM 187 H LYS A 14 0.778 11.120 1.760 1.00 0.51 H ATOM 188 HA LYS A 14 -0.871 11.098 -0.501 1.00 0.58 H ATOM 189 HB2 LYS A 14 -0.278 12.905 1.678 1.00 1.30 H ATOM 190 HB3 LYS A 14 -0.562 13.776 0.178 1.00 1.13 H ATOM 191 HG2 LYS A 14 -2.542 11.749 0.451 1.00 2.18 H ATOM 192 HG3 LYS A 14 -2.456 12.680 1.948 1.00 2.19 H ATOM 193 HD2 LYS A 14 -2.305 14.542 -0.153 1.00 2.08 H ATOM 194 HD3 LYS A 14 -3.592 13.413 -0.583 1.00 2.66 H ATOM 195 HE2 LYS A 14 -4.935 14.514 0.803 1.00 2.37 H ATOM 196 HE3 LYS A 14 -3.936 13.950 2.142 1.00 2.31 H ATOM 197 HZ1 LYS A 14 -2.814 15.926 2.258 1.00 2.99 H ATOM 198 HZ2 LYS A 14 -4.338 16.478 1.775 1.00 3.07 H ATOM 199 HZ3 LYS A 14 -3.094 16.328 0.639 1.00 2.95 H ATOM 200 N SER A 15 1.214 13.516 -1.060 1.00 0.94 N ATOM 201 CA SER A 15 2.014 14.196 -2.081 1.00 1.01 C ATOM 202 C SER A 15 3.016 13.253 -2.745 1.00 0.82 C ATOM 203 O SER A 15 3.652 13.609 -3.737 1.00 0.81 O ATOM 204 CB SER A 15 2.752 15.385 -1.464 1.00 1.21 C ATOM 205 OG SER A 15 3.069 16.355 -2.446 1.00 1.90 O ATOM 206 H SER A 15 1.002 13.993 -0.231 1.00 1.55 H ATOM 207 HA SER A 15 1.336 14.564 -2.836 1.00 1.12 H ATOM 208 HB2 SER A 15 2.127 15.843 -0.712 1.00 1.43 H ATOM 209 HB3 SER A 15 3.668 15.039 -1.008 1.00 1.58 H ATOM 210 HG SER A 15 2.656 16.115 -3.279 1.00 2.28 H ATOM 211 N ILE A 16 3.166 12.063 -2.184 1.00 0.71 N ATOM 212 CA ILE A 16 4.096 11.076 -2.699 1.00 0.54 C ATOM 213 C ILE A 16 3.799 10.660 -4.132 1.00 0.53 C ATOM 214 O ILE A 16 2.706 10.877 -4.654 1.00 0.64 O ATOM 215 CB ILE A 16 4.046 9.814 -1.841 1.00 0.44 C ATOM 216 CG1 ILE A 16 5.377 9.578 -1.163 1.00 0.44 C ATOM 217 CG2 ILE A 16 3.672 8.610 -2.688 1.00 0.38 C ATOM 218 CD1 ILE A 16 5.702 8.109 -1.017 1.00 0.37 C ATOM 219 H ILE A 16 2.651 11.841 -1.384 1.00 0.76 H ATOM 220 HA ILE A 16 5.093 11.484 -2.643 1.00 0.56 H ATOM 221 HB ILE A 16 3.283 9.947 -1.090 1.00 0.53 H ATOM 222 HG12 ILE A 16 6.158 10.041 -1.746 1.00 0.47 H ATOM 223 HG13 ILE A 16 5.350 10.020 -0.181 1.00 0.58 H ATOM 224 HG21 ILE A 16 4.520 8.319 -3.292 1.00 1.07 H ATOM 225 HG22 ILE A 16 2.845 8.865 -3.332 1.00 1.06 H ATOM 226 HG23 ILE A 16 3.392 7.789 -2.040 1.00 1.06 H ATOM 227 HD11 ILE A 16 5.632 7.831 0.022 1.00 1.06 H ATOM 228 HD12 ILE A 16 6.702 7.924 -1.377 1.00 1.12 H ATOM 229 HD13 ILE A 16 4.996 7.523 -1.596 1.00 1.05 H ATOM 230 N SER A 17 4.793 10.020 -4.735 1.00 0.46 N ATOM 231 CA SER A 17 4.689 9.506 -6.090 1.00 0.53 C ATOM 232 C SER A 17 5.064 8.028 -6.099 1.00 0.53 C ATOM 233 O SER A 17 5.267 7.428 -5.043 1.00 0.72 O ATOM 234 CB SER A 17 5.599 10.289 -7.034 1.00 0.57 C ATOM 235 OG SER A 17 5.000 10.443 -8.309 1.00 0.70 O ATOM 236 H SER A 17 5.621 9.864 -4.235 1.00 0.42 H ATOM 237 HA SER A 17 3.664 9.613 -6.410 1.00 0.61 H ATOM 238 HB2 SER A 17 5.783 11.268 -6.616 1.00 0.62 H ATOM 239 HB3 SER A 17 6.536 9.761 -7.149 1.00 0.71 H ATOM 240 HG SER A 17 5.420 9.847 -8.934 1.00 1.25 H ATOM 241 N ARG A 18 5.163 7.443 -7.284 1.00 0.50 N ATOM 242 CA ARG A 18 5.523 6.036 -7.403 1.00 0.55 C ATOM 243 C ARG A 18 7.015 5.821 -7.144 1.00 0.52 C ATOM 244 O ARG A 18 7.413 4.822 -6.545 1.00 0.58 O ATOM 245 CB ARG A 18 5.155 5.510 -8.792 1.00 0.67 C ATOM 246 CG ARG A 18 6.002 6.095 -9.910 1.00 0.96 C ATOM 247 CD ARG A 18 6.322 5.054 -10.971 1.00 1.61 C ATOM 248 NE ARG A 18 6.121 5.570 -12.322 1.00 2.06 N ATOM 249 CZ ARG A 18 6.610 4.988 -13.412 1.00 2.65 C ATOM 250 NH1 ARG A 18 7.324 3.876 -13.309 1.00 3.05 N ATOM 251 NH2 ARG A 18 6.385 5.518 -14.606 1.00 3.33 N ATOM 252 H ARG A 18 4.996 7.968 -8.095 1.00 0.59 H ATOM 253 HA ARG A 18 4.960 5.488 -6.662 1.00 0.58 H ATOM 254 HB2 ARG A 18 5.277 4.437 -8.802 1.00 0.91 H ATOM 255 HB3 ARG A 18 4.120 5.747 -8.992 1.00 0.73 H ATOM 256 HG2 ARG A 18 5.461 6.909 -10.370 1.00 1.50 H ATOM 257 HG3 ARG A 18 6.927 6.466 -9.492 1.00 1.37 H ATOM 258 HD2 ARG A 18 7.352 4.751 -10.861 1.00 2.12 H ATOM 259 HD3 ARG A 18 5.678 4.199 -10.823 1.00 2.21 H ATOM 260 HE ARG A 18 5.596 6.392 -12.421 1.00 2.39 H ATOM 261 HH11 ARG A 18 7.496 3.474 -12.410 1.00 2.96 H ATOM 262 HH12 ARG A 18 7.691 3.439 -14.130 1.00 3.74 H ATOM 263 HH21 ARG A 18 5.846 6.357 -14.687 1.00 3.54 H ATOM 264 HH22 ARG A 18 6.753 5.079 -15.426 1.00 3.87 H ATOM 265 N ASP A 19 7.833 6.754 -7.622 1.00 0.53 N ATOM 266 CA ASP A 19 9.285 6.664 -7.471 1.00 0.60 C ATOM 267 C ASP A 19 9.759 6.965 -6.046 1.00 0.55 C ATOM 268 O ASP A 19 10.609 6.254 -5.510 1.00 0.63 O ATOM 269 CB ASP A 19 9.970 7.618 -8.451 1.00 0.73 C ATOM 270 CG ASP A 19 10.255 6.965 -9.789 1.00 1.24 C ATOM 271 OD1 ASP A 19 9.302 6.777 -10.573 1.00 1.82 O ATOM 272 OD2 ASP A 19 11.432 6.642 -10.053 1.00 1.95 O ATOM 273 H ASP A 19 7.452 7.516 -8.106 1.00 0.54 H ATOM 274 HA ASP A 19 9.574 5.655 -7.720 1.00 0.69 H ATOM 275 HB2 ASP A 19 9.331 8.473 -8.617 1.00 1.00 H ATOM 276 HB3 ASP A 19 10.905 7.950 -8.025 1.00 0.94 H ATOM 277 N LYS A 20 9.236 8.031 -5.446 1.00 0.50 N ATOM 278 CA LYS A 20 9.647 8.424 -4.099 1.00 0.51 C ATOM 279 C LYS A 20 9.442 7.302 -3.089 1.00 0.42 C ATOM 280 O LYS A 20 10.351 6.976 -2.318 1.00 0.40 O ATOM 281 CB LYS A 20 8.883 9.668 -3.647 1.00 0.59 C ATOM 282 CG LYS A 20 8.833 10.760 -4.698 1.00 0.84 C ATOM 283 CD LYS A 20 7.459 10.842 -5.334 1.00 1.46 C ATOM 284 CE LYS A 20 6.619 11.940 -4.702 1.00 2.13 C ATOM 285 NZ LYS A 20 7.119 13.297 -5.058 1.00 2.91 N ATOM 286 H LYS A 20 8.576 8.577 -5.923 1.00 0.50 H ATOM 287 HA LYS A 20 10.699 8.663 -4.137 1.00 0.58 H ATOM 288 HB2 LYS A 20 7.870 9.385 -3.403 1.00 0.69 H ATOM 289 HB3 LYS A 20 9.359 10.068 -2.764 1.00 0.98 H ATOM 290 HG2 LYS A 20 9.062 11.707 -4.232 1.00 0.90 H ATOM 291 HG3 LYS A 20 9.564 10.545 -5.463 1.00 1.17 H ATOM 292 HD2 LYS A 20 7.572 11.049 -6.388 1.00 1.81 H ATOM 293 HD3 LYS A 20 6.958 9.893 -5.202 1.00 1.74 H ATOM 294 HE2 LYS A 20 5.600 11.842 -5.045 1.00 2.30 H ATOM 295 HE3 LYS A 20 6.649 11.826 -3.628 1.00 2.66 H ATOM 296 HZ1 LYS A 20 7.619 13.265 -5.970 1.00 3.25 H ATOM 297 HZ2 LYS A 20 7.774 13.640 -4.328 1.00 3.32 H ATOM 298 HZ3 LYS A 20 6.323 13.963 -5.134 1.00 3.31 H ATOM 299 N ALA A 21 8.249 6.717 -3.083 1.00 0.39 N ATOM 300 CA ALA A 21 7.951 5.644 -2.147 1.00 0.33 C ATOM 301 C ALA A 21 9.056 4.596 -2.164 1.00 0.29 C ATOM 302 O ALA A 21 9.561 4.193 -1.119 1.00 0.30 O ATOM 303 CB ALA A 21 6.599 5.018 -2.442 1.00 0.35 C ATOM 304 H ALA A 21 7.560 7.018 -3.713 1.00 0.43 H ATOM 305 HA ALA A 21 7.904 6.076 -1.162 1.00 0.34 H ATOM 306 HB1 ALA A 21 6.109 4.781 -1.507 1.00 1.04 H ATOM 307 HB2 ALA A 21 6.736 4.115 -3.018 1.00 1.09 H ATOM 308 HB3 ALA A 21 5.992 5.716 -2.999 1.00 1.08 H ATOM 309 N GLU A 22 9.454 4.169 -3.351 1.00 0.30 N ATOM 310 CA GLU A 22 10.521 3.190 -3.459 1.00 0.31 C ATOM 311 C GLU A 22 11.781 3.737 -2.799 1.00 0.31 C ATOM 312 O GLU A 22 12.432 3.055 -2.002 1.00 0.33 O ATOM 313 CB GLU A 22 10.793 2.843 -4.924 1.00 0.36 C ATOM 314 CG GLU A 22 9.626 2.154 -5.612 1.00 0.44 C ATOM 315 CD GLU A 22 10.063 1.308 -6.792 1.00 1.06 C ATOM 316 OE1 GLU A 22 11.121 1.611 -7.381 1.00 1.76 O ATOM 317 OE2 GLU A 22 9.345 0.342 -7.127 1.00 1.83 O ATOM 318 H GLU A 22 9.040 4.530 -4.162 1.00 0.34 H ATOM 319 HA GLU A 22 10.209 2.302 -2.930 1.00 0.31 H ATOM 320 HB2 GLU A 22 11.014 3.753 -5.462 1.00 0.40 H ATOM 321 HB3 GLU A 22 11.651 2.188 -4.974 1.00 0.38 H ATOM 322 HG2 GLU A 22 9.129 1.517 -4.897 1.00 1.02 H ATOM 323 HG3 GLU A 22 8.936 2.907 -5.963 1.00 0.74 H ATOM 324 N LYS A 23 12.101 4.988 -3.120 1.00 0.35 N ATOM 325 CA LYS A 23 13.265 5.648 -2.547 1.00 0.38 C ATOM 326 C LYS A 23 13.132 5.711 -1.032 1.00 0.36 C ATOM 327 O LYS A 23 14.062 5.370 -0.302 1.00 0.40 O ATOM 328 CB LYS A 23 13.415 7.059 -3.122 1.00 0.47 C ATOM 329 CG LYS A 23 12.810 8.144 -2.244 1.00 0.85 C ATOM 330 CD LYS A 23 13.514 9.476 -2.440 1.00 1.32 C ATOM 331 CE LYS A 23 12.561 10.644 -2.245 1.00 1.72 C ATOM 332 NZ LYS A 23 13.269 11.953 -2.295 1.00 2.31 N ATOM 333 H LYS A 23 11.530 5.482 -3.744 1.00 0.39 H ATOM 334 HA LYS A 23 14.138 5.066 -2.800 1.00 0.41 H ATOM 335 HB2 LYS A 23 14.466 7.273 -3.248 1.00 0.61 H ATOM 336 HB3 LYS A 23 12.930 7.095 -4.086 1.00 0.86 H ATOM 337 HG2 LYS A 23 11.767 8.260 -2.498 1.00 1.20 H ATOM 338 HG3 LYS A 23 12.899 7.848 -1.209 1.00 1.20 H ATOM 339 HD2 LYS A 23 14.318 9.557 -1.723 1.00 1.65 H ATOM 340 HD3 LYS A 23 13.918 9.515 -3.441 1.00 1.57 H ATOM 341 HE2 LYS A 23 11.816 10.618 -3.026 1.00 1.95 H ATOM 342 HE3 LYS A 23 12.079 10.541 -1.284 1.00 2.05 H ATOM 343 HZ1 LYS A 23 12.862 12.606 -1.596 1.00 2.68 H ATOM 344 HZ2 LYS A 23 13.177 12.373 -3.241 1.00 2.59 H ATOM 345 HZ3 LYS A 23 14.279 11.821 -2.084 1.00 2.80 H ATOM 346 N LEU A 24 11.962 6.140 -0.566 1.00 0.37 N ATOM 347 CA LEU A 24 11.705 6.233 0.867 1.00 0.42 C ATOM 348 C LEU A 24 11.680 4.846 1.495 1.00 0.42 C ATOM 349 O LEU A 24 12.199 4.640 2.592 1.00 0.50 O ATOM 350 CB LEU A 24 10.377 6.939 1.132 1.00 0.50 C ATOM 351 CG LEU A 24 9.230 6.522 0.214 1.00 0.74 C ATOM 352 CD1 LEU A 24 8.608 5.210 0.677 1.00 1.00 C ATOM 353 CD2 LEU A 24 8.180 7.618 0.154 1.00 1.77 C ATOM 354 H LEU A 24 11.254 6.391 -1.201 1.00 0.38 H ATOM 355 HA LEU A 24 12.505 6.805 1.312 1.00 0.45 H ATOM 356 HB2 LEU A 24 10.085 6.738 2.155 1.00 0.93 H ATOM 357 HB3 LEU A 24 10.531 8.004 1.018 1.00 0.81 H ATOM 358 HG LEU A 24 9.612 6.372 -0.783 1.00 1.54 H ATOM 359 HD11 LEU A 24 9.236 4.387 0.377 1.00 1.61 H ATOM 360 HD12 LEU A 24 7.629 5.093 0.227 1.00 1.59 H ATOM 361 HD13 LEU A 24 8.517 5.217 1.752 1.00 1.38 H ATOM 362 HD21 LEU A 24 8.273 8.255 1.021 1.00 2.28 H ATOM 363 HD22 LEU A 24 7.198 7.171 0.137 1.00 2.26 H ATOM 364 HD23 LEU A 24 8.324 8.205 -0.742 1.00 2.40 H ATOM 365 N LEU A 25 11.075 3.896 0.789 1.00 0.36 N ATOM 366 CA LEU A 25 10.988 2.527 1.277 1.00 0.40 C ATOM 367 C LEU A 25 12.363 1.880 1.268 1.00 0.43 C ATOM 368 O LEU A 25 12.746 1.193 2.214 1.00 0.51 O ATOM 369 CB LEU A 25 10.021 1.710 0.419 1.00 0.40 C ATOM 370 CG LEU A 25 8.537 1.977 0.679 1.00 0.50 C ATOM 371 CD1 LEU A 25 7.790 2.156 -0.634 1.00 1.23 C ATOM 372 CD2 LEU A 25 7.924 0.845 1.492 1.00 0.94 C ATOM 373 H LEU A 25 10.684 4.120 -0.083 1.00 0.35 H ATOM 374 HA LEU A 25 10.622 2.558 2.292 1.00 0.48 H ATOM 375 HB2 LEU A 25 10.227 1.923 -0.620 1.00 0.40 H ATOM 376 HB3 LEU A 25 10.212 0.663 0.599 1.00 0.50 H ATOM 377 HG LEU A 25 8.436 2.890 1.247 1.00 1.26 H ATOM 378 HD11 LEU A 25 7.080 2.964 -0.536 1.00 1.86 H ATOM 379 HD12 LEU A 25 7.267 1.243 -0.878 1.00 1.82 H ATOM 380 HD13 LEU A 25 8.494 2.389 -1.419 1.00 1.66 H ATOM 381 HD21 LEU A 25 6.851 0.856 1.373 1.00 1.64 H ATOM 382 HD22 LEU A 25 8.172 0.975 2.535 1.00 1.58 H ATOM 383 HD23 LEU A 25 8.314 -0.101 1.144 1.00 1.37 H ATOM 384 N LEU A 26 13.107 2.110 0.192 1.00 0.44 N ATOM 385 CA LEU A 26 14.444 1.554 0.062 1.00 0.53 C ATOM 386 C LEU A 26 15.352 2.056 1.179 1.00 0.57 C ATOM 387 O LEU A 26 16.148 1.298 1.735 1.00 0.67 O ATOM 388 CB LEU A 26 15.036 1.916 -1.295 1.00 0.63 C ATOM 389 CG LEU A 26 15.731 0.764 -2.014 1.00 1.02 C ATOM 390 CD1 LEU A 26 14.760 0.051 -2.941 1.00 1.55 C ATOM 391 CD2 LEU A 26 16.939 1.270 -2.787 1.00 1.57 C ATOM 392 H LEU A 26 12.747 2.670 -0.532 1.00 0.42 H ATOM 393 HA LEU A 26 14.364 0.481 0.133 1.00 0.57 H ATOM 394 HB2 LEU A 26 14.238 2.280 -1.925 1.00 0.98 H ATOM 395 HB3 LEU A 26 15.753 2.709 -1.153 1.00 0.88 H ATOM 396 HG LEU A 26 16.075 0.051 -1.280 1.00 1.41 H ATOM 397 HD11 LEU A 26 14.005 0.746 -3.276 1.00 2.11 H ATOM 398 HD12 LEU A 26 14.289 -0.764 -2.410 1.00 1.92 H ATOM 399 HD13 LEU A 26 15.296 -0.338 -3.795 1.00 1.97 H ATOM 400 HD21 LEU A 26 16.761 2.285 -3.110 1.00 2.12 H ATOM 401 HD22 LEU A 26 17.104 0.641 -3.649 1.00 2.08 H ATOM 402 HD23 LEU A 26 17.811 1.243 -2.150 1.00 1.88 H ATOM 403 N ASP A 27 15.227 3.338 1.504 1.00 0.58 N ATOM 404 CA ASP A 27 16.036 3.944 2.555 1.00 0.67 C ATOM 405 C ASP A 27 15.688 3.356 3.919 1.00 0.63 C ATOM 406 O ASP A 27 16.574 2.998 4.695 1.00 0.73 O ATOM 407 CB ASP A 27 15.833 5.460 2.574 1.00 0.78 C ATOM 408 CG ASP A 27 16.803 6.163 3.503 1.00 1.59 C ATOM 409 OD1 ASP A 27 17.097 5.609 4.583 1.00 2.16 O ATOM 410 OD2 ASP A 27 17.269 7.266 3.150 1.00 2.41 O ATOM 411 H ASP A 27 14.575 3.891 1.024 1.00 0.58 H ATOM 412 HA ASP A 27 17.073 3.732 2.339 1.00 0.75 H ATOM 413 HB2 ASP A 27 15.974 5.848 1.576 1.00 1.18 H ATOM 414 HB3 ASP A 27 14.827 5.678 2.902 1.00 1.24 H ATOM 415 N THR A 28 14.393 3.261 4.205 1.00 0.55 N ATOM 416 CA THR A 28 13.932 2.717 5.478 1.00 0.59 C ATOM 417 C THR A 28 14.578 1.365 5.756 1.00 0.53 C ATOM 418 O THR A 28 15.188 1.162 6.806 1.00 0.70 O ATOM 419 CB THR A 28 12.409 2.577 5.472 1.00 0.63 C ATOM 420 OG1 THR A 28 11.873 2.852 6.754 1.00 1.32 O ATOM 421 CG2 THR A 28 11.930 1.203 5.060 1.00 0.88 C ATOM 422 H THR A 28 13.734 3.564 3.547 1.00 0.51 H ATOM 423 HA THR A 28 14.218 3.407 6.257 1.00 0.72 H ATOM 424 HB THR A 28 11.998 3.289 4.774 1.00 1.11 H ATOM 425 HG1 THR A 28 12.448 3.467 7.216 1.00 1.79 H ATOM 426 HG21 THR A 28 11.983 1.112 3.986 1.00 1.47 H ATOM 427 HG22 THR A 28 10.908 1.067 5.383 1.00 1.47 H ATOM 428 HG23 THR A 28 12.555 0.452 5.516 1.00 1.48 H ATOM 429 N GLY A 29 14.438 0.443 4.811 1.00 0.42 N ATOM 430 CA GLY A 29 15.015 -0.878 4.976 1.00 0.48 C ATOM 431 C GLY A 29 14.148 -1.779 5.831 1.00 0.57 C ATOM 432 O GLY A 29 14.424 -1.981 7.013 1.00 1.22 O ATOM 433 H GLY A 29 13.937 0.661 3.995 1.00 0.41 H ATOM 434 HA2 GLY A 29 15.138 -1.331 4.003 1.00 0.49 H ATOM 435 HA3 GLY A 29 15.984 -0.781 5.443 1.00 0.57 H ATOM 436 N LYS A 30 13.093 -2.317 5.231 1.00 0.44 N ATOM 437 CA LYS A 30 12.173 -3.196 5.941 1.00 0.44 C ATOM 438 C LYS A 30 11.710 -4.343 5.063 1.00 0.40 C ATOM 439 O LYS A 30 11.540 -4.184 3.854 1.00 0.39 O ATOM 440 CB LYS A 30 10.946 -2.418 6.407 1.00 0.46 C ATOM 441 CG LYS A 30 11.160 -1.641 7.686 1.00 0.73 C ATOM 442 CD LYS A 30 11.832 -0.305 7.425 1.00 1.05 C ATOM 443 CE LYS A 30 12.195 0.399 8.720 1.00 1.36 C ATOM 444 NZ LYS A 30 11.155 1.379 9.133 1.00 1.61 N ATOM 445 H LYS A 30 12.925 -2.113 4.288 1.00 0.87 H ATOM 446 HA LYS A 30 12.686 -3.594 6.803 1.00 0.55 H ATOM 447 HB2 LYS A 30 10.663 -1.720 5.633 1.00 0.51 H ATOM 448 HB3 LYS A 30 10.134 -3.112 6.565 1.00 0.67 H ATOM 449 HG2 LYS A 30 10.201 -1.467 8.145 1.00 1.16 H ATOM 450 HG3 LYS A 30 11.779 -2.225 8.349 1.00 1.41 H ATOM 451 HD2 LYS A 30 12.732 -0.473 6.854 1.00 1.75 H ATOM 452 HD3 LYS A 30 11.156 0.321 6.863 1.00 1.41 H ATOM 453 HE2 LYS A 30 12.307 -0.342 9.496 1.00 1.80 H ATOM 454 HE3 LYS A 30 13.132 0.919 8.579 1.00 1.96 H ATOM 455 HZ1 LYS A 30 11.604 2.249 9.485 1.00 2.05 H ATOM 456 HZ2 LYS A 30 10.565 0.977 9.889 1.00 1.91 H ATOM 457 HZ3 LYS A 30 10.548 1.618 8.323 1.00 1.99 H ATOM 458 N GLU A 31 11.466 -5.490 5.683 1.00 0.42 N ATOM 459 CA GLU A 31 10.975 -6.640 4.950 1.00 0.43 C ATOM 460 C GLU A 31 9.467 -6.516 4.803 1.00 0.36 C ATOM 461 O GLU A 31 8.721 -6.696 5.765 1.00 0.39 O ATOM 462 CB GLU A 31 11.334 -7.938 5.677 1.00 0.54 C ATOM 463 CG GLU A 31 10.593 -9.156 5.148 1.00 0.78 C ATOM 464 CD GLU A 31 11.154 -10.458 5.685 1.00 1.52 C ATOM 465 OE1 GLU A 31 12.037 -10.405 6.567 1.00 2.22 O ATOM 466 OE2 GLU A 31 10.710 -11.530 5.225 1.00 2.14 O ATOM 467 H GLU A 31 11.590 -5.551 6.653 1.00 0.45 H ATOM 468 HA GLU A 31 11.430 -6.636 3.971 1.00 0.45 H ATOM 469 HB2 GLU A 31 12.394 -8.115 5.572 1.00 0.90 H ATOM 470 HB3 GLU A 31 11.098 -7.827 6.725 1.00 0.89 H ATOM 471 HG2 GLU A 31 9.555 -9.083 5.436 1.00 1.16 H ATOM 472 HG3 GLU A 31 10.667 -9.166 4.070 1.00 1.26 H ATOM 473 N GLY A 32 9.026 -6.189 3.599 1.00 0.32 N ATOM 474 CA GLY A 32 7.612 -6.025 3.350 1.00 0.30 C ATOM 475 C GLY A 32 7.120 -4.642 3.732 1.00 0.28 C ATOM 476 O GLY A 32 5.938 -4.460 4.025 1.00 0.36 O ATOM 477 H GLY A 32 9.667 -6.043 2.874 1.00 0.35 H ATOM 478 HA2 GLY A 32 7.420 -6.187 2.300 1.00 0.34 H ATOM 479 HA3 GLY A 32 7.068 -6.760 3.923 1.00 0.31 H ATOM 480 N ALA A 33 8.022 -3.659 3.720 1.00 0.22 N ATOM 481 CA ALA A 33 7.650 -2.298 4.056 1.00 0.21 C ATOM 482 C ALA A 33 6.432 -1.904 3.252 1.00 0.19 C ATOM 483 O ALA A 33 6.340 -2.212 2.062 1.00 0.22 O ATOM 484 CB ALA A 33 8.800 -1.341 3.808 1.00 0.25 C ATOM 485 H ALA A 33 8.941 -3.852 3.468 1.00 0.24 H ATOM 486 HA ALA A 33 7.402 -2.268 5.107 1.00 0.21 H ATOM 487 HB1 ALA A 33 8.484 -0.573 3.119 1.00 1.06 H ATOM 488 HB2 ALA A 33 9.634 -1.882 3.391 1.00 0.91 H ATOM 489 HB3 ALA A 33 9.096 -0.886 4.742 1.00 1.10 H ATOM 490 N PHE A 34 5.483 -1.266 3.911 1.00 0.16 N ATOM 491 CA PHE A 34 4.247 -0.886 3.254 1.00 0.15 C ATOM 492 C PHE A 34 3.968 0.604 3.288 1.00 0.16 C ATOM 493 O PHE A 34 4.057 1.249 4.326 1.00 0.25 O ATOM 494 CB PHE A 34 3.086 -1.601 3.903 1.00 0.16 C ATOM 495 CG PHE A 34 1.790 -0.900 3.623 1.00 0.15 C ATOM 496 CD1 PHE A 34 1.390 -0.683 2.320 1.00 0.15 C ATOM 497 CD2 PHE A 34 0.988 -0.434 4.639 1.00 0.16 C ATOM 498 CE1 PHE A 34 0.217 -0.017 2.039 1.00 0.15 C ATOM 499 CE2 PHE A 34 -0.170 0.227 4.364 1.00 0.16 C ATOM 500 CZ PHE A 34 -0.564 0.443 3.068 1.00 0.15 C ATOM 501 H PHE A 34 5.604 -1.076 4.865 1.00 0.18 H ATOM 502 HA PHE A 34 4.300 -1.199 2.228 1.00 0.16 H ATOM 503 HB2 PHE A 34 3.035 -2.610 3.518 1.00 0.18 H ATOM 504 HB3 PHE A 34 3.238 -1.630 4.971 1.00 0.18 H ATOM 505 HD1 PHE A 34 1.997 -1.052 1.524 1.00 0.16 H ATOM 506 HD2 PHE A 34 1.270 -0.582 5.660 1.00 0.17 H ATOM 507 HE1 PHE A 34 -0.082 0.152 1.018 1.00 0.16 H ATOM 508 HE2 PHE A 34 -0.770 0.568 5.169 1.00 0.17 H ATOM 509 HZ PHE A 34 -1.482 0.971 2.861 1.00 0.16 H ATOM 510 N MET A 35 3.579 1.137 2.148 1.00 0.16 N ATOM 511 CA MET A 35 3.235 2.540 2.057 1.00 0.18 C ATOM 512 C MET A 35 2.051 2.723 1.125 1.00 0.17 C ATOM 513 O MET A 35 1.660 1.794 0.422 1.00 0.34 O ATOM 514 CB MET A 35 4.428 3.357 1.575 1.00 0.31 C ATOM 515 CG MET A 35 4.142 4.836 1.443 1.00 0.60 C ATOM 516 SD MET A 35 5.490 5.710 0.656 1.00 0.68 S ATOM 517 CE MET A 35 6.573 5.841 2.068 1.00 0.50 C ATOM 518 H MET A 35 3.495 0.566 1.353 1.00 0.21 H ATOM 519 HA MET A 35 2.955 2.874 3.045 1.00 0.21 H ATOM 520 HB2 MET A 35 5.230 3.242 2.286 1.00 0.45 H ATOM 521 HB3 MET A 35 4.748 2.983 0.613 1.00 0.74 H ATOM 522 HG2 MET A 35 3.244 4.977 0.865 1.00 1.00 H ATOM 523 HG3 MET A 35 4.011 5.248 2.435 1.00 0.78 H ATOM 524 HE1 MET A 35 7.083 4.901 2.209 1.00 1.13 H ATOM 525 HE2 MET A 35 5.987 6.067 2.951 1.00 1.22 H ATOM 526 HE3 MET A 35 7.296 6.624 1.899 1.00 1.16 H ATOM 527 N VAL A 36 1.484 3.916 1.119 1.00 0.21 N ATOM 528 CA VAL A 36 0.344 4.197 0.257 1.00 0.18 C ATOM 529 C VAL A 36 0.413 5.600 -0.311 1.00 0.20 C ATOM 530 O VAL A 36 0.982 6.503 0.298 1.00 0.21 O ATOM 531 CB VAL A 36 -1.004 4.006 0.975 1.00 0.17 C ATOM 532 CG1 VAL A 36 -2.160 4.369 0.057 1.00 0.20 C ATOM 533 CG2 VAL A 36 -1.135 2.573 1.459 1.00 0.17 C ATOM 534 H VAL A 36 1.842 4.620 1.701 1.00 0.37 H ATOM 535 HA VAL A 36 0.384 3.496 -0.560 1.00 0.17 H ATOM 536 HB VAL A 36 -1.037 4.663 1.828 1.00 0.19 H ATOM 537 HG11 VAL A 36 -2.994 4.717 0.648 1.00 1.04 H ATOM 538 HG12 VAL A 36 -2.456 3.498 -0.509 1.00 1.03 H ATOM 539 HG13 VAL A 36 -1.849 5.149 -0.621 1.00 1.00 H ATOM 540 HG21 VAL A 36 -2.078 2.449 1.970 1.00 1.02 H ATOM 541 HG22 VAL A 36 -0.325 2.348 2.135 1.00 0.98 H ATOM 542 HG23 VAL A 36 -1.093 1.904 0.614 1.00 1.04 H ATOM 543 N ARG A 37 -0.161 5.771 -1.490 1.00 0.21 N ATOM 544 CA ARG A 37 -0.155 7.061 -2.150 1.00 0.25 C ATOM 545 C ARG A 37 -1.436 7.269 -2.945 1.00 0.26 C ATOM 546 O ARG A 37 -1.756 6.500 -3.850 1.00 0.26 O ATOM 547 CB ARG A 37 1.077 7.163 -3.044 1.00 0.26 C ATOM 548 CG ARG A 37 0.799 6.992 -4.524 1.00 0.26 C ATOM 549 CD ARG A 37 1.838 6.084 -5.154 1.00 0.28 C ATOM 550 NE ARG A 37 1.794 6.121 -6.614 1.00 0.38 N ATOM 551 CZ ARG A 37 1.927 7.231 -7.333 1.00 1.09 C ATOM 552 NH1 ARG A 37 2.135 8.394 -6.732 1.00 2.18 N ATOM 553 NH2 ARG A 37 1.859 7.178 -8.656 1.00 1.04 N ATOM 554 H ARG A 37 -0.591 5.007 -1.929 1.00 0.20 H ATOM 555 HA ARG A 37 -0.097 7.820 -1.386 1.00 0.28 H ATOM 556 HB2 ARG A 37 1.535 8.126 -2.895 1.00 0.31 H ATOM 557 HB3 ARG A 37 1.775 6.390 -2.747 1.00 0.25 H ATOM 558 HG2 ARG A 37 -0.177 6.554 -4.654 1.00 0.25 H ATOM 559 HG3 ARG A 37 0.834 7.957 -5.004 1.00 0.31 H ATOM 560 HD2 ARG A 37 2.821 6.397 -4.818 1.00 0.35 H ATOM 561 HD3 ARG A 37 1.652 5.072 -4.823 1.00 0.31 H ATOM 562 HE ARG A 37 1.651 5.272 -7.084 1.00 0.97 H ATOM 563 HH11 ARG A 37 2.195 8.439 -5.735 1.00 2.29 H ATOM 564 HH12 ARG A 37 2.231 9.227 -7.276 1.00 2.94 H ATOM 565 HH21 ARG A 37 1.707 6.302 -9.114 1.00 0.70 H ATOM 566 HH22 ARG A 37 1.959 8.014 -9.195 1.00 1.74 H ATOM 567 N ASP A 38 -2.179 8.306 -2.579 1.00 0.32 N ATOM 568 CA ASP A 38 -3.440 8.610 -3.237 1.00 0.36 C ATOM 569 C ASP A 38 -3.264 8.763 -4.741 1.00 0.31 C ATOM 570 O ASP A 38 -2.212 9.189 -5.218 1.00 0.34 O ATOM 571 CB ASP A 38 -4.060 9.877 -2.647 1.00 0.48 C ATOM 572 CG ASP A 38 -5.276 10.341 -3.424 1.00 0.55 C ATOM 573 OD1 ASP A 38 -5.107 10.792 -4.577 1.00 1.14 O ATOM 574 OD2 ASP A 38 -6.397 10.253 -2.881 1.00 1.38 O ATOM 575 H ASP A 38 -1.878 8.872 -1.838 1.00 0.36 H ATOM 576 HA ASP A 38 -4.102 7.778 -3.055 1.00 0.37 H ATOM 577 HB2 ASP A 38 -4.361 9.683 -1.628 1.00 0.64 H ATOM 578 HB3 ASP A 38 -3.325 10.668 -2.657 1.00 0.59 H ATOM 579 N SER A 39 -4.307 8.402 -5.480 1.00 0.31 N ATOM 580 CA SER A 39 -4.286 8.483 -6.932 1.00 0.30 C ATOM 581 C SER A 39 -5.544 9.164 -7.461 1.00 0.40 C ATOM 582 O SER A 39 -6.529 9.317 -6.739 1.00 1.16 O ATOM 583 CB SER A 39 -4.171 7.081 -7.524 1.00 0.38 C ATOM 584 OG SER A 39 -4.560 7.066 -8.886 1.00 1.29 O ATOM 585 H SER A 39 -5.110 8.066 -5.037 1.00 0.34 H ATOM 586 HA SER A 39 -3.424 9.061 -7.221 1.00 0.32 H ATOM 587 HB2 SER A 39 -3.148 6.743 -7.450 1.00 0.97 H ATOM 588 HB3 SER A 39 -4.813 6.408 -6.970 1.00 0.84 H ATOM 589 HG SER A 39 -3.794 6.888 -9.437 1.00 1.86 H ATOM 590 N ARG A 40 -5.508 9.559 -8.729 1.00 0.88 N ATOM 591 CA ARG A 40 -6.650 10.211 -9.359 1.00 0.96 C ATOM 592 C ARG A 40 -7.670 9.172 -9.810 1.00 1.04 C ATOM 593 O ARG A 40 -8.795 9.505 -10.182 1.00 1.79 O ATOM 594 CB ARG A 40 -6.194 11.051 -10.553 1.00 1.22 C ATOM 595 CG ARG A 40 -5.115 12.064 -10.208 1.00 1.87 C ATOM 596 CD ARG A 40 -5.673 13.477 -10.157 1.00 2.21 C ATOM 597 NE ARG A 40 -5.053 14.272 -9.102 1.00 2.67 N ATOM 598 CZ ARG A 40 -5.460 15.491 -8.762 1.00 2.96 C ATOM 599 NH1 ARG A 40 -6.483 16.050 -9.393 1.00 3.10 N ATOM 600 NH2 ARG A 40 -4.844 16.150 -7.790 1.00 3.68 N ATOM 601 H ARG A 40 -4.697 9.402 -9.257 1.00 1.53 H ATOM 602 HA ARG A 40 -7.110 10.858 -8.626 1.00 0.88 H ATOM 603 HB2 ARG A 40 -5.808 10.391 -11.316 1.00 1.57 H ATOM 604 HB3 ARG A 40 -7.046 11.585 -10.949 1.00 1.42 H ATOM 605 HG2 ARG A 40 -4.699 11.818 -9.243 1.00 2.44 H ATOM 606 HG3 ARG A 40 -4.340 12.019 -10.959 1.00 2.43 H ATOM 607 HD2 ARG A 40 -5.493 13.956 -11.108 1.00 2.39 H ATOM 608 HD3 ARG A 40 -6.737 13.424 -9.978 1.00 2.72 H ATOM 609 HE ARG A 40 -4.294 13.878 -8.622 1.00 3.18 H ATOM 610 HH11 ARG A 40 -6.949 15.555 -10.126 1.00 2.92 H ATOM 611 HH12 ARG A 40 -6.788 16.967 -9.136 1.00 3.73 H ATOM 612 HH21 ARG A 40 -4.073 15.731 -7.312 1.00 4.03 H ATOM 613 HH22 ARG A 40 -5.152 17.067 -7.536 1.00 4.09 H ATOM 614 N THR A 41 -7.261 7.908 -9.770 1.00 0.96 N ATOM 615 CA THR A 41 -8.123 6.802 -10.167 1.00 1.06 C ATOM 616 C THR A 41 -9.514 6.947 -9.549 1.00 0.87 C ATOM 617 O THR A 41 -9.857 8.004 -9.019 1.00 0.72 O ATOM 618 CB THR A 41 -7.483 5.477 -9.747 1.00 1.18 C ATOM 619 OG1 THR A 41 -7.734 4.467 -10.707 1.00 1.46 O ATOM 620 CG2 THR A 41 -7.966 4.973 -8.403 1.00 0.97 C ATOM 621 H THR A 41 -6.351 7.713 -9.460 1.00 1.41 H ATOM 622 HA THR A 41 -8.215 6.822 -11.242 1.00 1.28 H ATOM 623 HB THR A 41 -6.413 5.617 -9.679 1.00 1.30 H ATOM 624 HG1 THR A 41 -7.140 4.579 -11.453 1.00 1.80 H ATOM 625 HG21 THR A 41 -7.230 5.204 -7.647 1.00 1.25 H ATOM 626 HG22 THR A 41 -8.109 3.904 -8.451 1.00 1.55 H ATOM 627 HG23 THR A 41 -8.901 5.451 -8.153 1.00 1.22 H ATOM 628 N PRO A 42 -10.340 5.887 -9.614 1.00 0.97 N ATOM 629 CA PRO A 42 -11.701 5.904 -9.066 1.00 0.97 C ATOM 630 C PRO A 42 -11.792 6.522 -7.670 1.00 0.78 C ATOM 631 O PRO A 42 -12.876 6.599 -7.093 1.00 0.92 O ATOM 632 CB PRO A 42 -12.069 4.423 -9.022 1.00 1.10 C ATOM 633 CG PRO A 42 -11.316 3.827 -10.159 1.00 1.28 C ATOM 634 CD PRO A 42 -10.019 4.588 -10.240 1.00 1.21 C ATOM 635 HA PRO A 42 -12.382 6.421 -9.726 1.00 1.10 H ATOM 636 HB2 PRO A 42 -11.763 3.999 -8.076 1.00 1.07 H ATOM 637 HB3 PRO A 42 -13.135 4.307 -9.150 1.00 1.25 H ATOM 638 HG2 PRO A 42 -11.126 2.781 -9.966 1.00 1.35 H ATOM 639 HG3 PRO A 42 -11.878 3.944 -11.074 1.00 1.53 H ATOM 640 HD2 PRO A 42 -9.251 4.072 -9.689 1.00 1.16 H ATOM 641 HD3 PRO A 42 -9.723 4.720 -11.271 1.00 1.45 H ATOM 642 N GLY A 43 -10.661 6.969 -7.129 1.00 0.57 N ATOM 643 CA GLY A 43 -10.671 7.576 -5.810 1.00 0.54 C ATOM 644 C GLY A 43 -9.930 6.761 -4.771 1.00 0.47 C ATOM 645 O GLY A 43 -10.122 6.955 -3.571 1.00 0.65 O ATOM 646 H GLY A 43 -9.822 6.889 -7.624 1.00 0.56 H ATOM 647 HA2 GLY A 43 -10.216 8.552 -5.873 1.00 0.54 H ATOM 648 HA3 GLY A 43 -11.696 7.689 -5.492 1.00 0.71 H ATOM 649 N THR A 44 -9.089 5.843 -5.227 1.00 0.38 N ATOM 650 CA THR A 44 -8.331 4.995 -4.318 1.00 0.44 C ATOM 651 C THR A 44 -6.921 5.515 -4.096 1.00 0.37 C ATOM 652 O THR A 44 -6.488 6.487 -4.717 1.00 0.46 O ATOM 653 CB THR A 44 -8.230 3.576 -4.862 1.00 0.59 C ATOM 654 OG1 THR A 44 -6.904 3.096 -4.728 1.00 0.54 O ATOM 655 CG2 THR A 44 -8.609 3.452 -6.320 1.00 0.73 C ATOM 656 H THR A 44 -8.980 5.731 -6.192 1.00 0.42 H ATOM 657 HA THR A 44 -8.851 4.971 -3.373 1.00 0.57 H ATOM 658 HB THR A 44 -8.879 2.936 -4.291 1.00 0.82 H ATOM 659 HG1 THR A 44 -6.901 2.310 -4.176 1.00 0.77 H ATOM 660 HG21 THR A 44 -9.209 4.300 -6.613 1.00 1.17 H ATOM 661 HG22 THR A 44 -9.174 2.543 -6.469 1.00 1.40 H ATOM 662 HG23 THR A 44 -7.711 3.419 -6.921 1.00 1.19 H ATOM 663 N TYR A 45 -6.207 4.831 -3.212 1.00 0.31 N ATOM 664 CA TYR A 45 -4.834 5.172 -2.893 1.00 0.27 C ATOM 665 C TYR A 45 -3.880 4.087 -3.379 1.00 0.22 C ATOM 666 O TYR A 45 -4.283 2.949 -3.660 1.00 0.24 O ATOM 667 CB TYR A 45 -4.653 5.379 -1.390 1.00 0.35 C ATOM 668 CG TYR A 45 -5.749 6.197 -0.760 1.00 0.37 C ATOM 669 CD1 TYR A 45 -5.819 7.567 -0.961 1.00 1.35 C ATOM 670 CD2 TYR A 45 -6.714 5.597 0.029 1.00 1.14 C ATOM 671 CE1 TYR A 45 -6.827 8.318 -0.388 1.00 1.39 C ATOM 672 CE2 TYR A 45 -7.723 6.336 0.605 1.00 1.14 C ATOM 673 CZ TYR A 45 -7.778 7.697 0.394 1.00 0.46 C ATOM 674 OH TYR A 45 -8.785 8.439 0.967 1.00 0.51 O ATOM 675 H TYR A 45 -6.619 4.064 -2.767 1.00 0.36 H ATOM 676 HA TYR A 45 -4.601 6.091 -3.401 1.00 0.26 H ATOM 677 HB2 TYR A 45 -4.632 4.417 -0.900 1.00 0.41 H ATOM 678 HB3 TYR A 45 -3.717 5.888 -1.215 1.00 0.38 H ATOM 679 HD1 TYR A 45 -5.070 8.046 -1.574 1.00 2.25 H ATOM 680 HD2 TYR A 45 -6.666 4.533 0.196 1.00 2.05 H ATOM 681 HE1 TYR A 45 -6.868 9.382 -0.555 1.00 2.31 H ATOM 682 HE2 TYR A 45 -8.463 5.845 1.214 1.00 2.03 H ATOM 683 HH TYR A 45 -9.089 8.003 1.767 1.00 0.94 H ATOM 684 N THR A 46 -2.614 4.450 -3.478 1.00 0.20 N ATOM 685 CA THR A 46 -1.583 3.528 -3.914 1.00 0.19 C ATOM 686 C THR A 46 -0.887 2.928 -2.698 1.00 0.17 C ATOM 687 O THR A 46 -0.875 3.540 -1.635 1.00 0.17 O ATOM 688 CB THR A 46 -0.582 4.253 -4.801 1.00 0.22 C ATOM 689 OG1 THR A 46 -1.249 4.972 -5.824 1.00 0.24 O ATOM 690 CG2 THR A 46 0.399 3.318 -5.463 1.00 0.24 C ATOM 691 H THR A 46 -2.363 5.366 -3.241 1.00 0.23 H ATOM 692 HA THR A 46 -2.052 2.739 -4.477 1.00 0.19 H ATOM 693 HB THR A 46 -0.027 4.957 -4.198 1.00 0.22 H ATOM 694 HG1 THR A 46 -1.308 4.427 -6.612 1.00 0.95 H ATOM 695 HG21 THR A 46 1.124 2.979 -4.736 1.00 1.08 H ATOM 696 HG22 THR A 46 0.904 3.834 -6.265 1.00 1.02 H ATOM 697 HG23 THR A 46 -0.137 2.468 -5.861 1.00 1.03 H ATOM 698 N VAL A 47 -0.321 1.732 -2.844 1.00 0.18 N ATOM 699 CA VAL A 47 0.354 1.074 -1.728 1.00 0.17 C ATOM 700 C VAL A 47 1.775 0.663 -2.079 1.00 0.18 C ATOM 701 O VAL A 47 1.988 -0.220 -2.908 1.00 0.19 O ATOM 702 CB VAL A 47 -0.402 -0.185 -1.258 1.00 0.17 C ATOM 703 CG1 VAL A 47 0.492 -1.039 -0.365 1.00 0.17 C ATOM 704 CG2 VAL A 47 -1.683 0.195 -0.534 1.00 0.18 C ATOM 705 H VAL A 47 -0.364 1.281 -3.712 1.00 0.20 H ATOM 706 HA VAL A 47 0.385 1.768 -0.905 1.00 0.17 H ATOM 707 HB VAL A 47 -0.665 -0.769 -2.128 1.00 0.18 H ATOM 708 HG11 VAL A 47 0.940 -1.828 -0.951 1.00 1.04 H ATOM 709 HG12 VAL A 47 -0.099 -1.471 0.433 1.00 1.00 H ATOM 710 HG13 VAL A 47 1.270 -0.419 0.061 1.00 1.03 H ATOM 711 HG21 VAL A 47 -1.896 1.240 -0.707 1.00 0.99 H ATOM 712 HG22 VAL A 47 -1.565 0.022 0.527 1.00 1.06 H ATOM 713 HG23 VAL A 47 -2.499 -0.405 -0.907 1.00 1.05 H ATOM 714 N SER A 48 2.745 1.281 -1.419 1.00 0.19 N ATOM 715 CA SER A 48 4.140 0.939 -1.648 1.00 0.22 C ATOM 716 C SER A 48 4.556 -0.180 -0.701 1.00 0.20 C ATOM 717 O SER A 48 4.684 0.031 0.507 1.00 0.26 O ATOM 718 CB SER A 48 5.063 2.147 -1.451 1.00 0.28 C ATOM 719 OG SER A 48 5.979 2.266 -2.526 1.00 1.46 O ATOM 720 H SER A 48 2.516 1.958 -0.751 1.00 0.20 H ATOM 721 HA SER A 48 4.228 0.588 -2.667 1.00 0.24 H ATOM 722 HB2 SER A 48 4.479 3.052 -1.395 1.00 0.94 H ATOM 723 HB3 SER A 48 5.622 2.020 -0.534 1.00 0.90 H ATOM 724 HG SER A 48 6.261 1.391 -2.804 1.00 1.92 H ATOM 725 N VAL A 49 4.768 -1.364 -1.259 1.00 0.22 N ATOM 726 CA VAL A 49 5.181 -2.522 -0.477 1.00 0.23 C ATOM 727 C VAL A 49 6.583 -2.941 -0.892 1.00 0.23 C ATOM 728 O VAL A 49 6.790 -3.398 -2.016 1.00 0.29 O ATOM 729 CB VAL A 49 4.215 -3.708 -0.667 1.00 0.26 C ATOM 730 CG1 VAL A 49 2.824 -3.355 -0.162 1.00 0.45 C ATOM 731 CG2 VAL A 49 4.166 -4.126 -2.128 1.00 0.38 C ATOM 732 H VAL A 49 4.650 -1.462 -2.226 1.00 0.28 H ATOM 733 HA VAL A 49 5.186 -2.242 0.566 1.00 0.23 H ATOM 734 HB VAL A 49 4.582 -4.542 -0.088 1.00 0.34 H ATOM 735 HG11 VAL A 49 2.108 -4.063 -0.553 1.00 1.07 H ATOM 736 HG12 VAL A 49 2.563 -2.360 -0.491 1.00 0.91 H ATOM 737 HG13 VAL A 49 2.813 -3.391 0.918 1.00 1.12 H ATOM 738 HG21 VAL A 49 3.347 -4.814 -2.279 1.00 1.11 H ATOM 739 HG22 VAL A 49 5.095 -4.607 -2.396 1.00 1.16 H ATOM 740 HG23 VAL A 49 4.022 -3.253 -2.748 1.00 1.01 H ATOM 741 N PHE A 50 7.553 -2.757 -0.003 1.00 0.22 N ATOM 742 CA PHE A 50 8.932 -3.097 -0.334 1.00 0.24 C ATOM 743 C PHE A 50 9.564 -4.043 0.686 1.00 0.26 C ATOM 744 O PHE A 50 9.326 -3.941 1.898 1.00 0.25 O ATOM 745 CB PHE A 50 9.756 -1.816 -0.495 1.00 0.27 C ATOM 746 CG PHE A 50 10.869 -1.642 0.497 1.00 0.26 C ATOM 747 CD1 PHE A 50 10.621 -1.085 1.737 1.00 0.90 C ATOM 748 CD2 PHE A 50 12.166 -2.006 0.175 1.00 0.94 C ATOM 749 CE1 PHE A 50 11.645 -0.891 2.642 1.00 0.94 C ATOM 750 CE2 PHE A 50 13.195 -1.820 1.077 1.00 0.95 C ATOM 751 CZ PHE A 50 12.934 -1.259 2.312 1.00 0.38 C ATOM 752 H PHE A 50 7.342 -2.366 0.875 1.00 0.24 H ATOM 753 HA PHE A 50 8.910 -3.605 -1.286 1.00 0.26 H ATOM 754 HB2 PHE A 50 10.197 -1.804 -1.479 1.00 0.33 H ATOM 755 HB3 PHE A 50 9.095 -0.966 -0.399 1.00 0.33 H ATOM 756 HD1 PHE A 50 9.614 -0.800 1.995 1.00 1.57 H ATOM 757 HD2 PHE A 50 12.369 -2.446 -0.790 1.00 1.61 H ATOM 758 HE1 PHE A 50 11.437 -0.455 3.607 1.00 1.61 H ATOM 759 HE2 PHE A 50 14.203 -2.108 0.815 1.00 1.62 H ATOM 760 HZ PHE A 50 13.736 -1.102 3.016 1.00 0.46 H ATOM 761 N THR A 51 10.365 -4.976 0.164 1.00 0.29 N ATOM 762 CA THR A 51 11.041 -5.973 0.985 1.00 0.33 C ATOM 763 C THR A 51 12.436 -6.273 0.454 1.00 0.40 C ATOM 764 O THR A 51 12.590 -7.020 -0.512 1.00 0.45 O ATOM 765 CB THR A 51 10.234 -7.269 0.998 1.00 0.35 C ATOM 766 OG1 THR A 51 9.040 -7.121 1.741 1.00 1.05 O ATOM 767 CG2 THR A 51 10.998 -8.440 1.574 1.00 0.94 C ATOM 768 H THR A 51 10.495 -4.998 -0.808 1.00 0.30 H ATOM 769 HA THR A 51 11.123 -5.591 1.987 1.00 0.32 H ATOM 770 HB THR A 51 9.970 -7.520 -0.019 1.00 0.83 H ATOM 771 HG1 THR A 51 8.975 -7.829 2.387 1.00 1.42 H ATOM 772 HG21 THR A 51 10.321 -9.264 1.743 1.00 1.61 H ATOM 773 HG22 THR A 51 11.452 -8.148 2.509 1.00 1.53 H ATOM 774 HG23 THR A 51 11.767 -8.742 0.878 1.00 1.45 H ATOM 775 N LYS A 52 13.451 -5.709 1.095 1.00 0.45 N ATOM 776 CA LYS A 52 14.819 -5.951 0.679 1.00 0.54 C ATOM 777 C LYS A 52 14.937 -7.332 0.043 1.00 0.59 C ATOM 778 O LYS A 52 14.891 -8.354 0.726 1.00 0.65 O ATOM 779 CB LYS A 52 15.770 -5.841 1.873 1.00 0.62 C ATOM 780 CG LYS A 52 15.495 -4.640 2.763 1.00 1.55 C ATOM 781 CD LYS A 52 16.308 -4.699 4.046 1.00 2.28 C ATOM 782 CE LYS A 52 17.662 -4.028 3.879 1.00 2.89 C ATOM 783 NZ LYS A 52 17.530 -2.565 3.638 1.00 3.57 N ATOM 784 H LYS A 52 13.274 -5.135 1.867 1.00 0.45 H ATOM 785 HA LYS A 52 15.083 -5.204 -0.054 1.00 0.54 H ATOM 786 HB2 LYS A 52 15.680 -6.734 2.474 1.00 1.06 H ATOM 787 HB3 LYS A 52 16.783 -5.765 1.506 1.00 1.21 H ATOM 788 HG2 LYS A 52 15.754 -3.739 2.227 1.00 2.06 H ATOM 789 HG3 LYS A 52 14.444 -4.622 3.014 1.00 2.14 H ATOM 790 HD2 LYS A 52 15.763 -4.197 4.831 1.00 2.84 H ATOM 791 HD3 LYS A 52 16.460 -5.734 4.317 1.00 2.65 H ATOM 792 HE2 LYS A 52 18.240 -4.185 4.777 1.00 3.13 H ATOM 793 HE3 LYS A 52 18.172 -4.479 3.040 1.00 3.34 H ATOM 794 HZ1 LYS A 52 17.958 -2.033 4.424 1.00 3.85 H ATOM 795 HZ2 LYS A 52 16.527 -2.303 3.564 1.00 3.99 H ATOM 796 HZ3 LYS A 52 18.011 -2.304 2.754 1.00 3.91 H ATOM 797 N ALA A 53 15.090 -7.341 -1.276 1.00 0.63 N ATOM 798 CA ALA A 53 15.216 -8.583 -2.022 1.00 0.73 C ATOM 799 C ALA A 53 15.589 -8.326 -3.478 1.00 0.75 C ATOM 800 O ALA A 53 15.597 -7.184 -3.936 1.00 1.53 O ATOM 801 CB ALA A 53 13.918 -9.370 -1.936 1.00 0.81 C ATOM 802 H ALA A 53 15.112 -6.489 -1.757 1.00 0.62 H ATOM 803 HA ALA A 53 15.995 -9.171 -1.560 1.00 0.85 H ATOM 804 HB1 ALA A 53 13.270 -8.913 -1.201 1.00 1.38 H ATOM 805 HB2 ALA A 53 14.133 -10.388 -1.644 1.00 1.19 H ATOM 806 HB3 ALA A 53 13.430 -9.366 -2.899 1.00 1.36 H ATOM 807 N ILE A 54 15.896 -9.401 -4.200 1.00 0.81 N ATOM 808 CA ILE A 54 16.272 -9.305 -5.606 1.00 0.85 C ATOM 809 C ILE A 54 17.778 -9.118 -5.761 1.00 0.89 C ATOM 810 O ILE A 54 18.298 -8.015 -5.590 1.00 1.15 O ATOM 811 CB ILE A 54 15.545 -8.143 -6.310 1.00 0.98 C ATOM 812 CG1 ILE A 54 14.030 -8.328 -6.211 1.00 1.27 C ATOM 813 CG2 ILE A 54 15.977 -8.052 -7.765 1.00 1.12 C ATOM 814 CD1 ILE A 54 13.359 -7.337 -5.285 1.00 1.41 C ATOM 815 H ILE A 54 15.870 -10.284 -3.774 1.00 1.40 H ATOM 816 HA ILE A 54 15.984 -10.227 -6.090 1.00 1.02 H ATOM 817 HB ILE A 54 15.822 -7.223 -5.820 1.00 1.05 H ATOM 818 HG12 ILE A 54 13.594 -8.210 -7.192 1.00 1.61 H ATOM 819 HG13 ILE A 54 13.818 -9.322 -5.844 1.00 1.60 H ATOM 820 HG21 ILE A 54 15.155 -8.341 -8.404 1.00 1.63 H ATOM 821 HG22 ILE A 54 16.814 -8.713 -7.934 1.00 1.54 H ATOM 822 HG23 ILE A 54 16.269 -7.037 -7.991 1.00 1.45 H ATOM 823 HD11 ILE A 54 14.073 -6.588 -4.979 1.00 1.79 H ATOM 824 HD12 ILE A 54 12.984 -7.855 -4.414 1.00 1.80 H ATOM 825 HD13 ILE A 54 12.538 -6.862 -5.801 1.00 1.84 H ATOM 826 N ILE A 55 18.472 -10.203 -6.087 1.00 1.24 N ATOM 827 CA ILE A 55 19.918 -10.162 -6.266 1.00 1.49 C ATOM 828 C ILE A 55 20.297 -9.350 -7.499 1.00 1.32 C ATOM 829 O ILE A 55 21.463 -9.004 -7.693 1.00 1.58 O ATOM 830 CB ILE A 55 20.508 -11.579 -6.400 1.00 2.05 C ATOM 831 CG1 ILE A 55 19.968 -12.487 -5.294 1.00 2.70 C ATOM 832 CG2 ILE A 55 22.027 -11.527 -6.356 1.00 2.47 C ATOM 833 CD1 ILE A 55 20.490 -12.139 -3.917 1.00 3.49 C ATOM 834 H ILE A 55 18.000 -11.053 -6.210 1.00 1.57 H ATOM 835 HA ILE A 55 20.350 -9.696 -5.392 1.00 1.75 H ATOM 836 HB ILE A 55 20.213 -11.978 -7.359 1.00 2.17 H ATOM 837 HG12 ILE A 55 18.891 -12.411 -5.268 1.00 2.87 H ATOM 838 HG13 ILE A 55 20.247 -13.509 -5.507 1.00 3.08 H ATOM 839 HG21 ILE A 55 22.404 -12.413 -5.866 1.00 2.70 H ATOM 840 HG22 ILE A 55 22.342 -10.651 -5.809 1.00 2.81 H ATOM 841 HG23 ILE A 55 22.415 -11.481 -7.364 1.00 2.83 H ATOM 842 HD11 ILE A 55 19.751 -12.400 -3.174 1.00 3.90 H ATOM 843 HD12 ILE A 55 20.693 -11.079 -3.866 1.00 3.77 H ATOM 844 HD13 ILE A 55 21.400 -12.689 -3.727 1.00 3.93 H ATOM 845 N SER A 56 19.306 -9.052 -8.333 1.00 1.27 N ATOM 846 CA SER A 56 19.538 -8.283 -9.550 1.00 1.55 C ATOM 847 C SER A 56 19.015 -6.857 -9.406 1.00 1.64 C ATOM 848 O SER A 56 19.308 -5.993 -10.233 1.00 2.22 O ATOM 849 CB SER A 56 18.867 -8.965 -10.744 1.00 1.96 C ATOM 850 OG SER A 56 18.069 -10.058 -10.324 1.00 2.57 O ATOM 851 H SER A 56 18.399 -9.358 -8.126 1.00 1.33 H ATOM 852 HA SER A 56 20.603 -8.246 -9.720 1.00 1.78 H ATOM 853 HB2 SER A 56 18.239 -8.253 -11.257 1.00 2.31 H ATOM 854 HB3 SER A 56 19.627 -9.328 -11.420 1.00 2.27 H ATOM 855 HG SER A 56 17.245 -9.730 -9.955 1.00 2.91 H ATOM 856 N GLU A 57 18.239 -6.614 -8.353 1.00 1.47 N ATOM 857 CA GLU A 57 17.679 -5.289 -8.111 1.00 1.67 C ATOM 858 C GLU A 57 16.970 -5.226 -6.761 1.00 1.29 C ATOM 859 O GLU A 57 15.768 -5.470 -6.667 1.00 2.04 O ATOM 860 CB GLU A 57 16.705 -4.912 -9.228 1.00 2.50 C ATOM 861 CG GLU A 57 16.090 -3.532 -9.060 1.00 3.02 C ATOM 862 CD GLU A 57 16.333 -2.635 -10.258 1.00 3.91 C ATOM 863 OE1 GLU A 57 17.364 -1.931 -10.273 1.00 4.54 O ATOM 864 OE2 GLU A 57 15.492 -2.637 -11.181 1.00 4.35 O ATOM 865 H GLU A 57 18.039 -7.341 -7.728 1.00 1.57 H ATOM 866 HA GLU A 57 18.495 -4.582 -8.107 1.00 2.00 H ATOM 867 HB2 GLU A 57 17.230 -4.936 -10.172 1.00 2.98 H ATOM 868 HB3 GLU A 57 15.906 -5.638 -9.254 1.00 2.85 H ATOM 869 HG2 GLU A 57 15.025 -3.641 -8.921 1.00 3.39 H ATOM 870 HG3 GLU A 57 16.520 -3.066 -8.185 1.00 2.93 H ATOM 871 N ASN A 58 17.724 -4.888 -5.720 1.00 1.06 N ATOM 872 CA ASN A 58 17.174 -4.781 -4.373 1.00 1.39 C ATOM 873 C ASN A 58 17.633 -3.486 -3.712 1.00 1.46 C ATOM 874 O ASN A 58 18.600 -2.866 -4.157 1.00 1.82 O ATOM 875 CB ASN A 58 17.605 -5.980 -3.525 1.00 2.02 C ATOM 876 CG ASN A 58 18.960 -5.772 -2.877 1.00 2.95 C ATOM 877 OD1 ASN A 58 19.988 -6.182 -3.415 1.00 3.53 O ATOM 878 ND2 ASN A 58 18.967 -5.130 -1.714 1.00 3.66 N ATOM 879 H ASN A 58 18.676 -4.700 -5.862 1.00 1.53 H ATOM 880 HA ASN A 58 16.098 -4.774 -4.452 1.00 1.72 H ATOM 881 HB2 ASN A 58 16.876 -6.143 -2.746 1.00 2.05 H ATOM 882 HB3 ASN A 58 17.657 -6.857 -4.153 1.00 2.46 H ATOM 883 HD21 ASN A 58 18.110 -4.832 -1.345 1.00 3.64 H ATOM 884 HD22 ASN A 58 19.829 -4.982 -1.273 1.00 4.42 H ATOM 885 N PRO A 59 16.949 -3.051 -2.641 1.00 1.30 N ATOM 886 CA PRO A 59 15.789 -3.757 -2.075 1.00 1.05 C ATOM 887 C PRO A 59 14.621 -3.859 -3.053 1.00 0.85 C ATOM 888 O PRO A 59 14.756 -3.549 -4.237 1.00 1.19 O ATOM 889 CB PRO A 59 15.392 -2.895 -0.868 1.00 1.11 C ATOM 890 CG PRO A 59 16.594 -2.067 -0.570 1.00 1.47 C ATOM 891 CD PRO A 59 17.262 -1.828 -1.892 1.00 1.60 C ATOM 892 HA PRO A 59 16.058 -4.747 -1.738 1.00 1.24 H ATOM 893 HB2 PRO A 59 14.544 -2.279 -1.128 1.00 1.13 H ATOM 894 HB3 PRO A 59 15.138 -3.533 -0.035 1.00 1.48 H ATOM 895 HG2 PRO A 59 16.295 -1.131 -0.123 1.00 1.84 H ATOM 896 HG3 PRO A 59 17.256 -2.605 0.092 1.00 1.76 H ATOM 897 HD2 PRO A 59 16.845 -0.960 -2.378 1.00 1.89 H ATOM 898 HD3 PRO A 59 18.328 -1.717 -1.764 1.00 1.88 H ATOM 899 N CYS A 60 13.473 -4.303 -2.547 1.00 0.61 N ATOM 900 CA CYS A 60 12.278 -4.460 -3.371 1.00 0.60 C ATOM 901 C CYS A 60 11.156 -3.530 -2.920 1.00 0.49 C ATOM 902 O CYS A 60 10.754 -3.552 -1.759 1.00 0.53 O ATOM 903 CB CYS A 60 11.787 -5.909 -3.310 1.00 0.76 C ATOM 904 SG CYS A 60 10.622 -6.349 -4.621 1.00 1.56 S ATOM 905 H CYS A 60 13.430 -4.538 -1.596 1.00 0.77 H ATOM 906 HA CYS A 60 12.542 -4.222 -4.390 1.00 0.80 H ATOM 907 HB2 CYS A 60 12.634 -6.572 -3.386 1.00 0.92 H ATOM 908 HB3 CYS A 60 11.292 -6.074 -2.361 1.00 1.04 H ATOM 909 HG CYS A 60 10.504 -7.302 -4.605 1.00 1.78 H ATOM 910 N ILE A 61 10.635 -2.735 -3.855 1.00 0.46 N ATOM 911 CA ILE A 61 9.535 -1.820 -3.562 1.00 0.38 C ATOM 912 C ILE A 61 8.440 -1.945 -4.611 1.00 0.42 C ATOM 913 O ILE A 61 8.618 -1.543 -5.761 1.00 0.66 O ATOM 914 CB ILE A 61 9.985 -0.346 -3.501 1.00 0.43 C ATOM 915 CG1 ILE A 61 11.392 -0.233 -2.910 1.00 0.60 C ATOM 916 CG2 ILE A 61 8.987 0.473 -2.687 1.00 0.44 C ATOM 917 CD1 ILE A 61 11.415 0.310 -1.499 1.00 0.84 C ATOM 918 H ILE A 61 10.987 -2.781 -4.769 1.00 0.56 H ATOM 919 HA ILE A 61 9.124 -2.091 -2.600 1.00 0.32 H ATOM 920 HB ILE A 61 9.993 0.044 -4.508 1.00 0.51 H ATOM 921 HG12 ILE A 61 11.850 -1.210 -2.896 1.00 1.10 H ATOM 922 HG13 ILE A 61 11.981 0.428 -3.530 1.00 0.98 H ATOM 923 HG21 ILE A 61 9.516 1.089 -1.977 1.00 1.24 H ATOM 924 HG22 ILE A 61 8.321 -0.193 -2.158 1.00 0.96 H ATOM 925 HG23 ILE A 61 8.410 1.103 -3.350 1.00 1.15 H ATOM 926 HD11 ILE A 61 11.605 1.373 -1.526 1.00 1.42 H ATOM 927 HD12 ILE A 61 12.195 -0.180 -0.937 1.00 1.36 H ATOM 928 HD13 ILE A 61 10.461 0.128 -1.028 1.00 1.47 H ATOM 929 N LYS A 62 7.309 -2.503 -4.207 1.00 0.36 N ATOM 930 CA LYS A 62 6.181 -2.682 -5.111 1.00 0.40 C ATOM 931 C LYS A 62 5.074 -1.692 -4.789 1.00 0.37 C ATOM 932 O LYS A 62 4.795 -1.421 -3.622 1.00 0.44 O ATOM 933 CB LYS A 62 5.636 -4.103 -5.005 1.00 0.42 C ATOM 934 CG LYS A 62 4.956 -4.590 -6.274 1.00 0.49 C ATOM 935 CD LYS A 62 5.181 -6.078 -6.491 1.00 0.68 C ATOM 936 CE LYS A 62 4.379 -6.595 -7.674 1.00 0.75 C ATOM 937 NZ LYS A 62 2.939 -6.768 -7.337 1.00 0.71 N ATOM 938 H LYS A 62 7.228 -2.801 -3.277 1.00 0.47 H ATOM 939 HA LYS A 62 6.527 -2.509 -6.119 1.00 0.44 H ATOM 940 HB2 LYS A 62 6.451 -4.774 -4.776 1.00 0.42 H ATOM 941 HB3 LYS A 62 4.915 -4.134 -4.200 1.00 0.42 H ATOM 942 HG2 LYS A 62 3.895 -4.404 -6.196 1.00 0.73 H ATOM 943 HG3 LYS A 62 5.357 -4.046 -7.117 1.00 0.66 H ATOM 944 HD2 LYS A 62 6.230 -6.250 -6.678 1.00 1.03 H ATOM 945 HD3 LYS A 62 4.879 -6.611 -5.602 1.00 1.04 H ATOM 946 HE2 LYS A 62 4.467 -5.891 -8.488 1.00 1.21 H ATOM 947 HE3 LYS A 62 4.786 -7.548 -7.979 1.00 1.04 H ATOM 948 HZ1 LYS A 62 2.407 -7.061 -8.181 1.00 1.03 H ATOM 949 HZ2 LYS A 62 2.544 -5.873 -6.985 1.00 1.24 H ATOM 950 HZ3 LYS A 62 2.830 -7.495 -6.601 1.00 1.06 H ATOM 951 N HIS A 63 4.440 -1.156 -5.822 1.00 0.31 N ATOM 952 CA HIS A 63 3.366 -0.205 -5.625 1.00 0.29 C ATOM 953 C HIS A 63 2.012 -0.844 -5.916 1.00 0.27 C ATOM 954 O HIS A 63 1.657 -1.076 -7.072 1.00 0.29 O ATOM 955 CB HIS A 63 3.575 1.005 -6.532 1.00 0.32 C ATOM 956 CG HIS A 63 4.884 1.699 -6.316 1.00 0.49 C ATOM 957 ND1 HIS A 63 5.264 2.267 -5.121 1.00 0.80 N ATOM 958 CD2 HIS A 63 5.913 1.909 -7.175 1.00 0.65 C ATOM 959 CE1 HIS A 63 6.485 2.795 -5.287 1.00 1.00 C ATOM 960 NE2 HIS A 63 6.924 2.604 -6.516 1.00 0.91 N ATOM 961 H HIS A 63 4.697 -1.404 -6.732 1.00 0.32 H ATOM 962 HA HIS A 63 3.389 0.118 -4.595 1.00 0.28 H ATOM 963 HB2 HIS A 63 3.537 0.684 -7.562 1.00 0.44 H ATOM 964 HB3 HIS A 63 2.787 1.714 -6.354 1.00 0.41 H ATOM 965 HD1 HIS A 63 4.735 2.285 -4.295 1.00 0.95 H ATOM 966 HD2 HIS A 63 5.953 1.593 -8.207 1.00 0.74 H ATOM 967 HE1 HIS A 63 7.038 3.308 -4.514 1.00 1.28 H ATOM 968 N TYR A 64 1.258 -1.112 -4.857 1.00 0.25 N ATOM 969 CA TYR A 64 -0.064 -1.710 -4.986 1.00 0.25 C ATOM 970 C TYR A 64 -1.146 -0.657 -4.846 1.00 0.22 C ATOM 971 O TYR A 64 -1.240 0.009 -3.816 1.00 0.20 O ATOM 972 CB TYR A 64 -0.262 -2.786 -3.928 1.00 0.30 C ATOM 973 CG TYR A 64 0.558 -4.006 -4.210 1.00 0.40 C ATOM 974 CD1 TYR A 64 1.937 -3.935 -4.194 1.00 0.72 C ATOM 975 CD2 TYR A 64 -0.040 -5.216 -4.520 1.00 1.04 C ATOM 976 CE1 TYR A 64 2.705 -5.037 -4.475 1.00 0.75 C ATOM 977 CE2 TYR A 64 0.722 -6.330 -4.800 1.00 1.13 C ATOM 978 CZ TYR A 64 2.097 -6.236 -4.778 1.00 0.63 C ATOM 979 OH TYR A 64 2.865 -7.343 -5.060 1.00 0.75 O ATOM 980 H TYR A 64 1.601 -0.904 -3.966 1.00 0.25 H ATOM 981 HA TYR A 64 -0.132 -2.168 -5.961 1.00 0.28 H ATOM 982 HB2 TYR A 64 0.029 -2.398 -2.963 1.00 0.31 H ATOM 983 HB3 TYR A 64 -1.302 -3.077 -3.902 1.00 0.33 H ATOM 984 HD1 TYR A 64 2.414 -2.993 -3.953 1.00 1.27 H ATOM 985 HD2 TYR A 64 -1.117 -5.282 -4.536 1.00 1.58 H ATOM 986 HE1 TYR A 64 3.772 -4.954 -4.459 1.00 1.26 H ATOM 987 HE2 TYR A 64 0.241 -7.264 -5.039 1.00 1.72 H ATOM 988 HH TYR A 64 3.108 -7.781 -4.241 1.00 0.98 H ATOM 989 N HIS A 65 -1.970 -0.507 -5.871 1.00 0.22 N ATOM 990 CA HIS A 65 -3.041 0.469 -5.813 1.00 0.21 C ATOM 991 C HIS A 65 -4.289 -0.145 -5.230 1.00 0.21 C ATOM 992 O HIS A 65 -4.581 -1.317 -5.461 1.00 0.39 O ATOM 993 CB HIS A 65 -3.357 1.059 -7.177 1.00 0.24 C ATOM 994 CG HIS A 65 -3.627 2.509 -7.091 1.00 0.25 C ATOM 995 ND1 HIS A 65 -3.618 3.199 -5.911 1.00 0.41 N ATOM 996 CD2 HIS A 65 -3.912 3.407 -8.054 1.00 0.69 C ATOM 997 CE1 HIS A 65 -3.889 4.470 -6.182 1.00 0.28 C ATOM 998 NE2 HIS A 65 -4.078 4.657 -7.473 1.00 0.63 N ATOM 999 H HIS A 65 -1.862 -1.065 -6.670 1.00 0.25 H ATOM 1000 HA HIS A 65 -2.717 1.262 -5.160 1.00 0.20 H ATOM 1001 HB2 HIS A 65 -2.522 0.912 -7.841 1.00 0.34 H ATOM 1002 HB3 HIS A 65 -4.238 0.583 -7.580 1.00 0.28 H ATOM 1003 HD1 HIS A 65 -3.456 2.820 -5.024 1.00 0.81 H ATOM 1004 HD2 HIS A 65 -4.009 3.194 -9.100 1.00 1.11 H ATOM 1005 HE1 HIS A 65 -3.938 5.239 -5.443 1.00 0.40 H ATOM 1006 N ILE A 66 -5.031 0.648 -4.474 1.00 0.24 N ATOM 1007 CA ILE A 66 -6.252 0.142 -3.872 1.00 0.24 C ATOM 1008 C ILE A 66 -7.424 0.296 -4.828 1.00 0.25 C ATOM 1009 O ILE A 66 -7.952 1.387 -5.012 1.00 0.27 O ATOM 1010 CB ILE A 66 -6.567 0.846 -2.537 1.00 0.27 C ATOM 1011 CG1 ILE A 66 -5.335 1.595 -2.034 1.00 0.32 C ATOM 1012 CG2 ILE A 66 -7.029 -0.171 -1.504 1.00 0.36 C ATOM 1013 CD1 ILE A 66 -4.033 0.873 -2.301 1.00 0.45 C ATOM 1014 H ILE A 66 -4.753 1.586 -4.328 1.00 0.38 H ATOM 1015 HA ILE A 66 -6.108 -0.909 -3.671 1.00 0.25 H ATOM 1016 HB ILE A 66 -7.370 1.550 -2.698 1.00 0.33 H ATOM 1017 HG12 ILE A 66 -5.288 2.559 -2.511 1.00 0.47 H ATOM 1018 HG13 ILE A 66 -5.418 1.733 -0.973 1.00 0.51 H ATOM 1019 HG21 ILE A 66 -8.071 -0.400 -1.666 1.00 1.09 H ATOM 1020 HG22 ILE A 66 -6.899 0.238 -0.513 1.00 1.06 H ATOM 1021 HG23 ILE A 66 -6.443 -1.073 -1.602 1.00 1.10 H ATOM 1022 HD11 ILE A 66 -3.556 1.294 -3.173 1.00 1.11 H ATOM 1023 HD12 ILE A 66 -4.230 -0.175 -2.470 1.00 1.13 H ATOM 1024 HD13 ILE A 66 -3.384 0.983 -1.448 1.00 1.09 H ATOM 1025 N LYS A 67 -7.834 -0.810 -5.432 1.00 0.27 N ATOM 1026 CA LYS A 67 -8.949 -0.789 -6.363 1.00 0.33 C ATOM 1027 C LYS A 67 -10.235 -0.472 -5.616 1.00 0.30 C ATOM 1028 O LYS A 67 -10.381 -0.851 -4.456 1.00 0.28 O ATOM 1029 CB LYS A 67 -9.072 -2.132 -7.085 1.00 0.40 C ATOM 1030 CG LYS A 67 -10.037 -2.104 -8.259 1.00 0.45 C ATOM 1031 CD LYS A 67 -9.651 -1.037 -9.271 1.00 0.56 C ATOM 1032 CE LYS A 67 -8.145 -0.840 -9.325 1.00 0.96 C ATOM 1033 NZ LYS A 67 -7.693 -0.379 -10.667 1.00 1.80 N ATOM 1034 H LYS A 67 -7.379 -1.657 -5.244 1.00 0.29 H ATOM 1035 HA LYS A 67 -8.760 -0.011 -7.089 1.00 0.37 H ATOM 1036 HB2 LYS A 67 -8.098 -2.419 -7.454 1.00 0.46 H ATOM 1037 HB3 LYS A 67 -9.414 -2.876 -6.382 1.00 0.40 H ATOM 1038 HG2 LYS A 67 -10.025 -3.068 -8.745 1.00 0.54 H ATOM 1039 HG3 LYS A 67 -11.030 -1.895 -7.891 1.00 0.59 H ATOM 1040 HD2 LYS A 67 -10.000 -1.338 -10.247 1.00 1.10 H ATOM 1041 HD3 LYS A 67 -10.117 -0.104 -8.991 1.00 1.15 H ATOM 1042 HE2 LYS A 67 -7.864 -0.103 -8.589 1.00 1.44 H ATOM 1043 HE3 LYS A 67 -7.663 -1.779 -9.095 1.00 1.49 H ATOM 1044 HZ1 LYS A 67 -8.215 0.476 -10.946 1.00 2.26 H ATOM 1045 HZ2 LYS A 67 -7.861 -1.121 -11.376 1.00 2.33 H ATOM 1046 HZ3 LYS A 67 -6.676 -0.161 -10.646 1.00 2.22 H ATOM 1047 N GLU A 68 -11.153 0.227 -6.282 1.00 0.35 N ATOM 1048 CA GLU A 68 -12.428 0.610 -5.675 1.00 0.35 C ATOM 1049 C GLU A 68 -13.591 -0.099 -6.367 1.00 0.38 C ATOM 1050 O GLU A 68 -13.629 -0.188 -7.594 1.00 0.46 O ATOM 1051 CB GLU A 68 -12.620 2.128 -5.778 1.00 0.45 C ATOM 1052 CG GLU A 68 -11.852 2.922 -4.734 1.00 0.56 C ATOM 1053 CD GLU A 68 -12.721 3.942 -4.025 1.00 1.30 C ATOM 1054 OE1 GLU A 68 -13.921 4.034 -4.359 1.00 2.12 O ATOM 1055 OE2 GLU A 68 -12.202 4.650 -3.136 1.00 2.00 O ATOM 1056 H GLU A 68 -10.966 0.501 -7.205 1.00 0.40 H ATOM 1057 HA GLU A 68 -12.407 0.327 -4.633 1.00 0.32 H ATOM 1058 HB2 GLU A 68 -12.293 2.455 -6.755 1.00 0.55 H ATOM 1059 HB3 GLU A 68 -13.671 2.354 -5.668 1.00 0.71 H ATOM 1060 HG2 GLU A 68 -11.453 2.239 -3.999 1.00 1.12 H ATOM 1061 HG3 GLU A 68 -11.039 3.442 -5.221 1.00 1.26 H ATOM 1062 N THR A 69 -14.538 -0.605 -5.577 1.00 0.36 N ATOM 1063 CA THR A 69 -15.692 -1.304 -6.129 1.00 0.43 C ATOM 1064 C THR A 69 -16.938 -1.029 -5.297 1.00 0.47 C ATOM 1065 O THR A 69 -17.145 -1.646 -4.253 1.00 1.01 O ATOM 1066 CB THR A 69 -15.425 -2.808 -6.186 1.00 0.50 C ATOM 1067 OG1 THR A 69 -16.641 -3.535 -6.180 1.00 0.87 O ATOM 1068 CG2 THR A 69 -14.583 -3.311 -5.033 1.00 0.61 C ATOM 1069 H THR A 69 -14.459 -0.509 -4.600 1.00 0.34 H ATOM 1070 HA THR A 69 -15.854 -0.937 -7.131 1.00 0.47 H ATOM 1071 HB THR A 69 -14.899 -3.035 -7.103 1.00 0.69 H ATOM 1072 HG1 THR A 69 -16.812 -3.866 -5.295 1.00 1.17 H ATOM 1073 HG21 THR A 69 -14.977 -2.925 -4.105 1.00 1.07 H ATOM 1074 HG22 THR A 69 -13.564 -2.977 -5.158 1.00 1.28 H ATOM 1075 HG23 THR A 69 -14.608 -4.391 -5.013 1.00 1.23 H ATOM 1076 N ASN A 70 -17.763 -0.098 -5.765 1.00 0.69 N ATOM 1077 CA ASN A 70 -18.990 0.262 -5.064 1.00 0.74 C ATOM 1078 C ASN A 70 -19.647 -0.967 -4.445 1.00 0.80 C ATOM 1079 O ASN A 70 -20.635 -1.484 -4.968 1.00 1.15 O ATOM 1080 CB ASN A 70 -19.966 0.949 -6.021 1.00 1.05 C ATOM 1081 CG ASN A 70 -19.847 0.430 -7.440 1.00 1.59 C ATOM 1082 OD1 ASN A 70 -19.174 1.029 -8.279 1.00 2.30 O ATOM 1083 ND2 ASN A 70 -20.503 -0.692 -7.717 1.00 2.29 N ATOM 1084 H ASN A 70 -17.540 0.359 -6.603 1.00 1.15 H ATOM 1085 HA ASN A 70 -18.729 0.951 -4.275 1.00 0.82 H ATOM 1086 HB2 ASN A 70 -20.976 0.779 -5.679 1.00 1.49 H ATOM 1087 HB3 ASN A 70 -19.767 2.011 -6.027 1.00 1.65 H ATOM 1088 HD21 ASN A 70 -21.019 -1.115 -6.999 1.00 2.46 H ATOM 1089 HD22 ASN A 70 -20.444 -1.050 -8.627 1.00 3.00 H ATOM 1090 N ASP A 71 -19.097 -1.429 -3.327 1.00 0.92 N ATOM 1091 CA ASP A 71 -19.634 -2.594 -2.638 1.00 1.23 C ATOM 1092 C ASP A 71 -20.551 -2.169 -1.498 1.00 1.05 C ATOM 1093 O ASP A 71 -21.154 -1.096 -1.542 1.00 1.54 O ATOM 1094 CB ASP A 71 -18.501 -3.471 -2.101 1.00 2.11 C ATOM 1095 CG ASP A 71 -18.702 -4.937 -2.429 1.00 3.19 C ATOM 1096 OD1 ASP A 71 -19.585 -5.569 -1.810 1.00 3.70 O ATOM 1097 OD2 ASP A 71 -17.977 -5.455 -3.304 1.00 3.93 O ATOM 1098 H ASP A 71 -18.312 -0.973 -2.957 1.00 1.05 H ATOM 1099 HA ASP A 71 -20.207 -3.163 -3.350 1.00 1.75 H ATOM 1100 HB2 ASP A 71 -17.566 -3.149 -2.538 1.00 2.13 H ATOM 1101 HB3 ASP A 71 -18.451 -3.364 -1.025 1.00 2.53 H ATOM 1102 N SER A 72 -20.655 -3.014 -0.481 1.00 1.24 N ATOM 1103 CA SER A 72 -21.503 -2.721 0.667 1.00 1.84 C ATOM 1104 C SER A 72 -20.906 -3.283 1.954 1.00 2.35 C ATOM 1105 O SER A 72 -21.284 -4.365 2.403 1.00 2.78 O ATOM 1106 CB SER A 72 -22.904 -3.295 0.450 1.00 2.17 C ATOM 1107 OG SER A 72 -22.911 -4.702 0.621 1.00 2.98 O ATOM 1108 H SER A 72 -20.152 -3.854 -0.505 1.00 1.46 H ATOM 1109 HA SER A 72 -21.575 -1.649 0.757 1.00 2.27 H ATOM 1110 HB2 SER A 72 -23.585 -2.855 1.164 1.00 2.32 H ATOM 1111 HB3 SER A 72 -23.234 -3.064 -0.552 1.00 2.44 H ATOM 1112 HG SER A 72 -22.706 -5.127 -0.215 1.00 3.21 H ATOM 1113 N PRO A 73 -19.961 -2.551 2.566 1.00 2.66 N ATOM 1114 CA PRO A 73 -19.489 -1.267 2.063 1.00 2.57 C ATOM 1115 C PRO A 73 -18.276 -1.413 1.148 1.00 1.81 C ATOM 1116 O PRO A 73 -17.949 -0.507 0.382 1.00 2.42 O ATOM 1117 CB PRO A 73 -19.101 -0.550 3.351 1.00 3.51 C ATOM 1118 CG PRO A 73 -18.604 -1.635 4.253 1.00 3.88 C ATOM 1119 CD PRO A 73 -19.272 -2.921 3.812 1.00 3.46 C ATOM 1120 HA PRO A 73 -20.268 -0.718 1.557 1.00 2.79 H ATOM 1121 HB2 PRO A 73 -18.329 0.177 3.142 1.00 3.56 H ATOM 1122 HB3 PRO A 73 -19.966 -0.057 3.767 1.00 4.05 H ATOM 1123 HG2 PRO A 73 -17.532 -1.724 4.161 1.00 4.01 H ATOM 1124 HG3 PRO A 73 -18.872 -1.409 5.275 1.00 4.52 H ATOM 1125 HD2 PRO A 73 -18.531 -3.685 3.629 1.00 3.46 H ATOM 1126 HD3 PRO A 73 -19.979 -3.253 4.559 1.00 3.92 H ATOM 1127 N LYS A 74 -17.613 -2.561 1.244 1.00 1.08 N ATOM 1128 CA LYS A 74 -16.431 -2.844 0.436 1.00 0.54 C ATOM 1129 C LYS A 74 -16.373 -1.970 -0.804 1.00 0.47 C ATOM 1130 O LYS A 74 -17.398 -1.585 -1.365 1.00 0.84 O ATOM 1131 CB LYS A 74 -16.402 -4.318 0.036 1.00 1.14 C ATOM 1132 CG LYS A 74 -16.871 -5.256 1.136 1.00 1.62 C ATOM 1133 CD LYS A 74 -18.199 -5.906 0.784 1.00 2.01 C ATOM 1134 CE LYS A 74 -18.019 -7.022 -0.232 1.00 2.71 C ATOM 1135 NZ LYS A 74 -19.164 -7.974 -0.220 1.00 3.40 N ATOM 1136 H LYS A 74 -17.926 -3.238 1.879 1.00 1.61 H ATOM 1137 HA LYS A 74 -15.560 -2.630 1.032 1.00 1.04 H ATOM 1138 HB2 LYS A 74 -17.038 -4.460 -0.825 1.00 1.53 H ATOM 1139 HB3 LYS A 74 -15.390 -4.586 -0.227 1.00 1.64 H ATOM 1140 HG2 LYS A 74 -16.130 -6.028 1.278 1.00 2.21 H ATOM 1141 HG3 LYS A 74 -16.987 -4.693 2.051 1.00 1.69 H ATOM 1142 HD2 LYS A 74 -18.637 -6.317 1.681 1.00 2.34 H ATOM 1143 HD3 LYS A 74 -18.857 -5.156 0.370 1.00 1.98 H ATOM 1144 HE2 LYS A 74 -17.936 -6.586 -1.217 1.00 2.85 H ATOM 1145 HE3 LYS A 74 -17.112 -7.560 0.000 1.00 2.98 H ATOM 1146 HZ1 LYS A 74 -19.051 -8.679 -0.977 1.00 3.85 H ATOM 1147 HZ2 LYS A 74 -20.057 -7.463 -0.370 1.00 3.49 H ATOM 1148 HZ3 LYS A 74 -19.209 -8.467 0.695 1.00 3.78 H ATOM 1149 N ARG A 75 -15.154 -1.657 -1.218 1.00 0.37 N ATOM 1150 CA ARG A 75 -14.935 -0.827 -2.386 1.00 0.36 C ATOM 1151 C ARG A 75 -13.495 -0.921 -2.861 1.00 0.31 C ATOM 1152 O ARG A 75 -13.230 -1.110 -4.045 1.00 0.34 O ATOM 1153 CB ARG A 75 -15.257 0.629 -2.068 1.00 0.48 C ATOM 1154 CG ARG A 75 -15.158 0.966 -0.591 1.00 1.10 C ATOM 1155 CD ARG A 75 -15.887 2.258 -0.263 1.00 1.16 C ATOM 1156 NE ARG A 75 -16.530 2.840 -1.438 1.00 1.71 N ATOM 1157 CZ ARG A 75 -17.558 3.679 -1.374 1.00 2.39 C ATOM 1158 NH1 ARG A 75 -18.058 4.030 -0.198 1.00 2.40 N ATOM 1159 NH2 ARG A 75 -18.087 4.168 -2.488 1.00 3.48 N ATOM 1160 H ARG A 75 -14.380 -1.992 -0.719 1.00 0.65 H ATOM 1161 HA ARG A 75 -15.590 -1.165 -3.171 1.00 0.39 H ATOM 1162 HB2 ARG A 75 -14.562 1.258 -2.605 1.00 1.02 H ATOM 1163 HB3 ARG A 75 -16.260 0.847 -2.401 1.00 1.05 H ATOM 1164 HG2 ARG A 75 -15.595 0.162 -0.019 1.00 1.78 H ATOM 1165 HG3 ARG A 75 -14.115 1.073 -0.328 1.00 1.76 H ATOM 1166 HD2 ARG A 75 -16.641 2.052 0.482 1.00 1.74 H ATOM 1167 HD3 ARG A 75 -15.174 2.967 0.134 1.00 1.56 H ATOM 1168 HE ARG A 75 -16.176 2.592 -2.318 1.00 2.13 H ATOM 1169 HH11 ARG A 75 -17.662 3.663 0.644 1.00 2.15 H ATOM 1170 HH12 ARG A 75 -18.832 4.662 -0.151 1.00 3.03 H ATOM 1171 HH21 ARG A 75 -17.712 3.905 -3.377 1.00 3.88 H ATOM 1172 HH22 ARG A 75 -18.861 4.800 -2.438 1.00 4.06 H ATOM 1173 N TYR A 76 -12.564 -0.754 -1.934 1.00 0.30 N ATOM 1174 CA TYR A 76 -11.154 -0.775 -2.273 1.00 0.28 C ATOM 1175 C TYR A 76 -10.555 -2.165 -2.149 1.00 0.26 C ATOM 1176 O TYR A 76 -10.952 -2.952 -1.291 1.00 0.30 O ATOM 1177 CB TYR A 76 -10.403 0.215 -1.397 1.00 0.30 C ATOM 1178 CG TYR A 76 -11.187 1.475 -1.176 1.00 0.32 C ATOM 1179 CD1 TYR A 76 -12.343 1.710 -1.901 1.00 1.23 C ATOM 1180 CD2 TYR A 76 -10.784 2.421 -0.252 1.00 1.15 C ATOM 1181 CE1 TYR A 76 -13.082 2.850 -1.714 1.00 1.24 C ATOM 1182 CE2 TYR A 76 -11.518 3.575 -0.053 1.00 1.17 C ATOM 1183 CZ TYR A 76 -12.670 3.786 -0.787 1.00 0.40 C ATOM 1184 OH TYR A 76 -13.406 4.932 -0.594 1.00 0.45 O ATOM 1185 H TYR A 76 -12.832 -0.586 -1.010 1.00 0.35 H ATOM 1186 HA TYR A 76 -11.073 -0.450 -3.296 1.00 0.29 H ATOM 1187 HB2 TYR A 76 -10.200 -0.233 -0.438 1.00 0.31 H ATOM 1188 HB3 TYR A 76 -9.474 0.482 -1.877 1.00 0.32 H ATOM 1189 HD1 TYR A 76 -12.662 0.982 -2.627 1.00 2.10 H ATOM 1190 HD2 TYR A 76 -9.885 2.245 0.319 1.00 2.01 H ATOM 1191 HE1 TYR A 76 -13.981 3.001 -2.291 1.00 2.12 H ATOM 1192 HE2 TYR A 76 -11.189 4.304 0.670 1.00 2.04 H ATOM 1193 HH TYR A 76 -13.280 5.247 0.304 1.00 0.99 H ATOM 1194 N TYR A 77 -9.595 -2.447 -3.023 1.00 0.25 N ATOM 1195 CA TYR A 77 -8.914 -3.744 -3.042 1.00 0.26 C ATOM 1196 C TYR A 77 -7.745 -3.738 -4.028 1.00 0.30 C ATOM 1197 O TYR A 77 -7.744 -2.978 -4.995 1.00 0.44 O ATOM 1198 CB TYR A 77 -9.897 -4.851 -3.424 1.00 0.32 C ATOM 1199 CG TYR A 77 -10.220 -4.884 -4.898 1.00 0.34 C ATOM 1200 CD1 TYR A 77 -11.043 -3.919 -5.466 1.00 1.15 C ATOM 1201 CD2 TYR A 77 -9.702 -5.875 -5.721 1.00 1.24 C ATOM 1202 CE1 TYR A 77 -11.341 -3.939 -6.814 1.00 1.19 C ATOM 1203 CE2 TYR A 77 -9.997 -5.900 -7.073 1.00 1.25 C ATOM 1204 CZ TYR A 77 -10.816 -4.931 -7.613 1.00 0.45 C ATOM 1205 OH TYR A 77 -11.109 -4.954 -8.957 1.00 0.53 O ATOM 1206 H TYR A 77 -9.340 -1.758 -3.674 1.00 0.25 H ATOM 1207 HA TYR A 77 -8.537 -3.938 -2.051 1.00 0.25 H ATOM 1208 HB2 TYR A 77 -9.476 -5.808 -3.155 1.00 0.36 H ATOM 1209 HB3 TYR A 77 -10.819 -4.704 -2.887 1.00 0.34 H ATOM 1210 HD1 TYR A 77 -11.453 -3.143 -4.836 1.00 2.01 H ATOM 1211 HD2 TYR A 77 -9.060 -6.637 -5.290 1.00 2.11 H ATOM 1212 HE1 TYR A 77 -11.983 -3.179 -7.236 1.00 2.06 H ATOM 1213 HE2 TYR A 77 -9.586 -6.676 -7.701 1.00 2.11 H ATOM 1214 HH TYR A 77 -11.783 -4.298 -9.150 1.00 1.02 H ATOM 1215 N VAL A 78 -6.754 -4.596 -3.784 1.00 0.37 N ATOM 1216 CA VAL A 78 -5.587 -4.685 -4.662 1.00 0.43 C ATOM 1217 C VAL A 78 -5.306 -6.119 -5.082 1.00 0.67 C ATOM 1218 O VAL A 78 -4.349 -6.731 -4.610 1.00 1.61 O ATOM 1219 CB VAL A 78 -4.315 -4.145 -3.987 1.00 0.47 C ATOM 1220 CG1 VAL A 78 -4.491 -2.697 -3.571 1.00 1.21 C ATOM 1221 CG2 VAL A 78 -3.942 -5.016 -2.799 1.00 1.32 C ATOM 1222 H VAL A 78 -6.810 -5.184 -3.002 1.00 0.48 H ATOM 1223 HA VAL A 78 -5.783 -4.091 -5.542 1.00 0.49 H ATOM 1224 HB VAL A 78 -3.509 -4.195 -4.704 1.00 0.87 H ATOM 1225 HG11 VAL A 78 -3.651 -2.116 -3.928 1.00 1.82 H ATOM 1226 HG12 VAL A 78 -4.541 -2.635 -2.494 1.00 1.81 H ATOM 1227 HG13 VAL A 78 -5.403 -2.311 -3.998 1.00 1.68 H ATOM 1228 HG21 VAL A 78 -4.248 -4.530 -1.885 1.00 1.95 H ATOM 1229 HG22 VAL A 78 -2.873 -5.168 -2.787 1.00 1.86 H ATOM 1230 HG23 VAL A 78 -4.440 -5.971 -2.885 1.00 1.75 H ATOM 1231 N ALA A 79 -6.124 -6.651 -5.978 1.00 0.62 N ATOM 1232 CA ALA A 79 -5.927 -8.012 -6.451 1.00 0.58 C ATOM 1233 C ALA A 79 -7.247 -8.761 -6.572 1.00 0.58 C ATOM 1234 O ALA A 79 -7.280 -9.988 -6.481 1.00 0.60 O ATOM 1235 CB ALA A 79 -4.995 -8.764 -5.511 1.00 0.62 C ATOM 1236 H ALA A 79 -6.866 -6.119 -6.332 1.00 1.31 H ATOM 1237 HA ALA A 79 -5.454 -7.959 -7.417 1.00 0.62 H ATOM 1238 HB1 ALA A 79 -5.011 -9.816 -5.753 1.00 1.29 H ATOM 1239 HB2 ALA A 79 -5.326 -8.625 -4.490 1.00 1.12 H ATOM 1240 HB3 ALA A 79 -3.990 -8.384 -5.619 1.00 1.18 H ATOM 1241 N GLU A 80 -8.340 -8.029 -6.752 1.00 0.61 N ATOM 1242 CA GLU A 80 -9.646 -8.665 -6.846 1.00 0.65 C ATOM 1243 C GLU A 80 -9.763 -9.683 -5.724 1.00 0.64 C ATOM 1244 O GLU A 80 -10.543 -10.633 -5.791 1.00 0.68 O ATOM 1245 CB GLU A 80 -9.821 -9.346 -8.205 1.00 0.71 C ATOM 1246 CG GLU A 80 -9.640 -8.405 -9.385 1.00 1.15 C ATOM 1247 CD GLU A 80 -9.984 -9.057 -10.710 1.00 1.36 C ATOM 1248 OE1 GLU A 80 -10.693 -10.085 -10.699 1.00 2.08 O ATOM 1249 OE2 GLU A 80 -9.545 -8.539 -11.758 1.00 1.69 O ATOM 1250 H GLU A 80 -8.266 -7.054 -6.800 1.00 0.62 H ATOM 1251 HA GLU A 80 -10.405 -7.908 -6.719 1.00 0.68 H ATOM 1252 HB2 GLU A 80 -9.096 -10.142 -8.292 1.00 0.86 H ATOM 1253 HB3 GLU A 80 -10.813 -9.768 -8.259 1.00 0.88 H ATOM 1254 HG2 GLU A 80 -10.281 -7.547 -9.247 1.00 1.57 H ATOM 1255 HG3 GLU A 80 -8.609 -8.082 -9.416 1.00 1.67 H ATOM 1256 N LYS A 81 -8.947 -9.465 -4.700 1.00 0.62 N ATOM 1257 CA LYS A 81 -8.889 -10.337 -3.537 1.00 0.65 C ATOM 1258 C LYS A 81 -9.869 -9.905 -2.456 1.00 0.69 C ATOM 1259 O LYS A 81 -10.924 -10.512 -2.269 1.00 1.42 O ATOM 1260 CB LYS A 81 -7.487 -10.296 -2.943 1.00 0.69 C ATOM 1261 CG LYS A 81 -6.382 -10.731 -3.885 1.00 1.22 C ATOM 1262 CD LYS A 81 -5.020 -10.362 -3.320 1.00 1.13 C ATOM 1263 CE LYS A 81 -4.509 -11.422 -2.362 1.00 1.82 C ATOM 1264 NZ LYS A 81 -4.216 -10.851 -1.020 1.00 2.25 N ATOM 1265 H LYS A 81 -8.347 -8.691 -4.734 1.00 0.61 H ATOM 1266 HA LYS A 81 -9.115 -11.344 -3.850 1.00 0.79 H ATOM 1267 HB2 LYS A 81 -7.279 -9.280 -2.639 1.00 1.27 H ATOM 1268 HB3 LYS A 81 -7.462 -10.935 -2.076 1.00 1.34 H ATOM 1269 HG2 LYS A 81 -6.431 -11.802 -4.018 1.00 1.95 H ATOM 1270 HG3 LYS A 81 -6.514 -10.238 -4.835 1.00 1.82 H ATOM 1271 HD2 LYS A 81 -4.318 -10.255 -4.131 1.00 1.67 H ATOM 1272 HD3 LYS A 81 -5.107 -9.422 -2.786 1.00 0.95 H ATOM 1273 HE2 LYS A 81 -5.259 -12.192 -2.262 1.00 2.19 H ATOM 1274 HE3 LYS A 81 -3.604 -11.850 -2.768 1.00 2.39 H ATOM 1275 HZ1 LYS A 81 -3.242 -10.490 -0.991 1.00 2.53 H ATOM 1276 HZ2 LYS A 81 -4.326 -11.583 -0.290 1.00 2.57 H ATOM 1277 HZ3 LYS A 81 -4.870 -10.070 -0.813 1.00 2.72 H ATOM 1278 N TYR A 82 -9.487 -8.857 -1.733 1.00 0.54 N ATOM 1279 CA TYR A 82 -10.294 -8.332 -0.645 1.00 0.50 C ATOM 1280 C TYR A 82 -10.580 -6.857 -0.843 1.00 0.46 C ATOM 1281 O TYR A 82 -9.661 -6.039 -0.899 1.00 0.74 O ATOM 1282 CB TYR A 82 -9.575 -8.509 0.696 1.00 0.55 C ATOM 1283 CG TYR A 82 -8.671 -9.715 0.768 1.00 0.51 C ATOM 1284 CD1 TYR A 82 -7.706 -9.943 -0.202 1.00 0.99 C ATOM 1285 CD2 TYR A 82 -8.779 -10.622 1.812 1.00 1.06 C ATOM 1286 CE1 TYR A 82 -6.873 -11.040 -0.136 1.00 1.02 C ATOM 1287 CE2 TYR A 82 -7.950 -11.722 1.888 1.00 1.10 C ATOM 1288 CZ TYR A 82 -6.997 -11.928 0.912 1.00 0.62 C ATOM 1289 OH TYR A 82 -6.168 -13.024 0.983 1.00 0.73 O ATOM 1290 H TYR A 82 -8.630 -8.430 -1.934 1.00 1.06 H ATOM 1291 HA TYR A 82 -11.226 -8.875 -0.622 1.00 0.57 H ATOM 1292 HB2 TYR A 82 -8.964 -7.637 0.881 1.00 0.57 H ATOM 1293 HB3 TYR A 82 -10.312 -8.598 1.481 1.00 0.67 H ATOM 1294 HD1 TYR A 82 -7.609 -9.246 -1.018 1.00 1.62 H ATOM 1295 HD2 TYR A 82 -9.526 -10.458 2.575 1.00 1.71 H ATOM 1296 HE1 TYR A 82 -6.130 -11.197 -0.905 1.00 1.66 H ATOM 1297 HE2 TYR A 82 -8.049 -12.413 2.710 1.00 1.74 H ATOM 1298 HH TYR A 82 -5.303 -12.794 0.638 1.00 1.06 H ATOM 1299 N VAL A 83 -11.852 -6.513 -0.916 1.00 0.38 N ATOM 1300 CA VAL A 83 -12.237 -5.126 -1.069 1.00 0.37 C ATOM 1301 C VAL A 83 -12.682 -4.572 0.265 1.00 0.38 C ATOM 1302 O VAL A 83 -13.203 -5.304 1.107 1.00 0.61 O ATOM 1303 CB VAL A 83 -13.358 -4.946 -2.097 1.00 0.51 C ATOM 1304 CG1 VAL A 83 -12.835 -5.225 -3.494 1.00 0.94 C ATOM 1305 CG2 VAL A 83 -14.535 -5.841 -1.755 1.00 0.95 C ATOM 1306 H VAL A 83 -12.544 -7.202 -0.842 1.00 0.55 H ATOM 1307 HA VAL A 83 -11.372 -4.578 -1.402 1.00 0.36 H ATOM 1308 HB VAL A 83 -13.691 -3.918 -2.061 1.00 1.10 H ATOM 1309 HG11 VAL A 83 -13.602 -5.709 -4.078 1.00 1.67 H ATOM 1310 HG12 VAL A 83 -11.966 -5.869 -3.430 1.00 1.41 H ATOM 1311 HG13 VAL A 83 -12.557 -4.292 -3.963 1.00 1.41 H ATOM 1312 HG21 VAL A 83 -14.402 -6.806 -2.219 1.00 1.53 H ATOM 1313 HG22 VAL A 83 -15.447 -5.388 -2.115 1.00 1.53 H ATOM 1314 HG23 VAL A 83 -14.591 -5.960 -0.682 1.00 1.52 H ATOM 1315 N PHE A 84 -12.466 -3.288 0.468 1.00 0.36 N ATOM 1316 CA PHE A 84 -12.843 -2.671 1.722 1.00 0.35 C ATOM 1317 C PHE A 84 -13.384 -1.269 1.498 1.00 0.36 C ATOM 1318 O PHE A 84 -13.397 -0.767 0.374 1.00 0.48 O ATOM 1319 CB PHE A 84 -11.641 -2.635 2.669 1.00 0.34 C ATOM 1320 CG PHE A 84 -10.904 -3.945 2.754 1.00 0.34 C ATOM 1321 CD1 PHE A 84 -11.264 -4.898 3.693 1.00 1.24 C ATOM 1322 CD2 PHE A 84 -9.848 -4.222 1.898 1.00 1.14 C ATOM 1323 CE1 PHE A 84 -10.587 -6.103 3.777 1.00 1.24 C ATOM 1324 CE2 PHE A 84 -9.166 -5.425 1.977 1.00 1.17 C ATOM 1325 CZ PHE A 84 -9.537 -6.367 2.918 1.00 0.41 C ATOM 1326 H PHE A 84 -12.039 -2.747 -0.233 1.00 0.52 H ATOM 1327 HA PHE A 84 -13.619 -3.278 2.163 1.00 0.38 H ATOM 1328 HB2 PHE A 84 -10.944 -1.883 2.327 1.00 0.35 H ATOM 1329 HB3 PHE A 84 -11.984 -2.380 3.664 1.00 0.38 H ATOM 1330 HD1 PHE A 84 -12.084 -4.693 4.366 1.00 2.11 H ATOM 1331 HD2 PHE A 84 -9.557 -3.487 1.162 1.00 2.01 H ATOM 1332 HE1 PHE A 84 -10.879 -6.837 4.513 1.00 2.10 H ATOM 1333 HE2 PHE A 84 -8.340 -5.627 1.307 1.00 2.05 H ATOM 1334 HZ PHE A 84 -9.007 -7.310 2.981 1.00 0.46 H ATOM 1335 N ASP A 85 -13.828 -0.643 2.576 1.00 0.35 N ATOM 1336 CA ASP A 85 -14.371 0.702 2.502 1.00 0.37 C ATOM 1337 C ASP A 85 -13.304 1.724 2.860 1.00 0.36 C ATOM 1338 O ASP A 85 -13.572 2.924 2.919 1.00 0.48 O ATOM 1339 CB ASP A 85 -15.573 0.847 3.436 1.00 0.45 C ATOM 1340 CG ASP A 85 -15.660 2.228 4.055 1.00 1.21 C ATOM 1341 OD1 ASP A 85 -14.848 2.528 4.955 1.00 1.97 O ATOM 1342 OD2 ASP A 85 -16.540 3.011 3.638 1.00 1.97 O ATOM 1343 H ASP A 85 -13.787 -1.096 3.442 1.00 0.40 H ATOM 1344 HA ASP A 85 -14.690 0.870 1.486 1.00 0.38 H ATOM 1345 HB2 ASP A 85 -16.479 0.665 2.878 1.00 0.95 H ATOM 1346 HB3 ASP A 85 -15.492 0.120 4.231 1.00 1.01 H ATOM 1347 N SER A 86 -12.090 1.239 3.099 1.00 0.35 N ATOM 1348 CA SER A 86 -10.983 2.114 3.451 1.00 0.39 C ATOM 1349 C SER A 86 -9.641 1.401 3.320 1.00 0.33 C ATOM 1350 O SER A 86 -9.471 0.241 3.741 1.00 0.33 O ATOM 1351 CB SER A 86 -11.154 2.642 4.877 1.00 0.49 C ATOM 1352 OG SER A 86 -10.610 3.944 5.008 1.00 1.44 O ATOM 1353 H SER A 86 -11.938 0.273 3.035 1.00 0.42 H ATOM 1354 HA SER A 86 -10.997 2.950 2.768 1.00 0.45 H ATOM 1355 HB2 SER A 86 -12.205 2.679 5.121 1.00 1.15 H ATOM 1356 HB3 SER A 86 -10.648 1.982 5.566 1.00 0.93 H ATOM 1357 HG SER A 86 -11.264 4.593 4.737 1.00 1.95 H ATOM 1358 N ILE A 87 -8.677 2.107 2.744 1.00 0.29 N ATOM 1359 CA ILE A 87 -7.355 1.557 2.573 1.00 0.25 C ATOM 1360 C ILE A 87 -6.830 1.039 3.902 1.00 0.23 C ATOM 1361 O ILE A 87 -6.217 -0.015 3.954 1.00 0.22 O ATOM 1362 CB ILE A 87 -6.373 2.591 1.996 1.00 0.26 C ATOM 1363 CG1 ILE A 87 -6.251 2.415 0.486 1.00 0.36 C ATOM 1364 CG2 ILE A 87 -5.008 2.445 2.648 1.00 0.31 C ATOM 1365 CD1 ILE A 87 -7.507 2.762 -0.286 1.00 0.23 C ATOM 1366 H ILE A 87 -8.863 3.018 2.436 1.00 0.31 H ATOM 1367 HA ILE A 87 -7.425 0.731 1.879 1.00 0.27 H ATOM 1368 HB ILE A 87 -6.750 3.578 2.211 1.00 0.35 H ATOM 1369 HG12 ILE A 87 -5.455 3.046 0.121 1.00 0.60 H ATOM 1370 HG13 ILE A 87 -6.009 1.383 0.278 1.00 0.65 H ATOM 1371 HG21 ILE A 87 -4.421 3.330 2.453 1.00 1.01 H ATOM 1372 HG22 ILE A 87 -4.505 1.583 2.235 1.00 1.03 H ATOM 1373 HG23 ILE A 87 -5.127 2.318 3.714 1.00 1.12 H ATOM 1374 HD11 ILE A 87 -7.267 3.490 -1.051 1.00 1.02 H ATOM 1375 HD12 ILE A 87 -8.242 3.177 0.388 1.00 1.01 H ATOM 1376 HD13 ILE A 87 -7.904 1.870 -0.751 1.00 1.11 H ATOM 1377 N PRO A 88 -7.079 1.757 5.011 1.00 0.26 N ATOM 1378 CA PRO A 88 -6.629 1.316 6.327 1.00 0.27 C ATOM 1379 C PRO A 88 -7.086 -0.104 6.607 1.00 0.26 C ATOM 1380 O PRO A 88 -6.285 -0.957 6.989 1.00 0.26 O ATOM 1381 CB PRO A 88 -7.275 2.297 7.305 1.00 0.33 C ATOM 1382 CG PRO A 88 -8.282 3.063 6.508 1.00 0.57 C ATOM 1383 CD PRO A 88 -7.819 3.021 5.079 1.00 0.31 C ATOM 1384 HA PRO A 88 -5.552 1.367 6.412 1.00 0.26 H ATOM 1385 HB2 PRO A 88 -7.744 1.747 8.107 1.00 0.52 H ATOM 1386 HB3 PRO A 88 -6.515 2.944 7.706 1.00 0.36 H ATOM 1387 HG2 PRO A 88 -9.252 2.598 6.599 1.00 0.93 H ATOM 1388 HG3 PRO A 88 -8.323 4.085 6.857 1.00 0.90 H ATOM 1389 HD2 PRO A 88 -8.664 3.015 4.409 1.00 0.34 H ATOM 1390 HD3 PRO A 88 -7.172 3.858 4.867 1.00 0.47 H ATOM 1391 N LEU A 89 -8.368 -0.374 6.365 1.00 0.29 N ATOM 1392 CA LEU A 89 -8.878 -1.723 6.548 1.00 0.30 C ATOM 1393 C LEU A 89 -8.278 -2.574 5.451 1.00 0.27 C ATOM 1394 O LEU A 89 -7.703 -3.642 5.702 1.00 0.27 O ATOM 1395 CB LEU A 89 -10.413 -1.806 6.488 1.00 0.34 C ATOM 1396 CG LEU A 89 -11.180 -0.483 6.520 1.00 0.46 C ATOM 1397 CD1 LEU A 89 -11.805 -0.212 5.160 1.00 0.62 C ATOM 1398 CD2 LEU A 89 -12.253 -0.524 7.597 1.00 0.79 C ATOM 1399 H LEU A 89 -8.952 0.328 6.019 1.00 0.31 H ATOM 1400 HA LEU A 89 -8.531 -2.085 7.505 1.00 0.31 H ATOM 1401 HB2 LEU A 89 -10.683 -2.323 5.579 1.00 0.34 H ATOM 1402 HB3 LEU A 89 -10.745 -2.403 7.325 1.00 0.44 H ATOM 1403 HG LEU A 89 -10.505 0.324 6.751 1.00 0.81 H ATOM 1404 HD11 LEU A 89 -11.069 -0.372 4.386 1.00 1.28 H ATOM 1405 HD12 LEU A 89 -12.155 0.808 5.121 1.00 1.24 H ATOM 1406 HD13 LEU A 89 -12.637 -0.884 5.008 1.00 1.22 H ATOM 1407 HD21 LEU A 89 -12.882 0.350 7.511 1.00 1.26 H ATOM 1408 HD22 LEU A 89 -11.786 -0.537 8.570 1.00 1.36 H ATOM 1409 HD23 LEU A 89 -12.853 -1.413 7.474 1.00 1.41 H ATOM 1410 N LEU A 90 -8.373 -2.062 4.223 1.00 0.26 N ATOM 1411 CA LEU A 90 -7.796 -2.753 3.087 1.00 0.25 C ATOM 1412 C LEU A 90 -6.324 -3.012 3.369 1.00 0.22 C ATOM 1413 O LEU A 90 -5.776 -4.052 3.002 1.00 0.22 O ATOM 1414 CB LEU A 90 -7.972 -1.926 1.814 1.00 0.26 C ATOM 1415 CG LEU A 90 -7.463 -2.593 0.537 1.00 0.26 C ATOM 1416 CD1 LEU A 90 -8.388 -2.288 -0.629 1.00 0.28 C ATOM 1417 CD2 LEU A 90 -6.044 -2.139 0.229 1.00 0.29 C ATOM 1418 H LEU A 90 -8.812 -1.186 4.091 1.00 0.28 H ATOM 1419 HA LEU A 90 -8.302 -3.698 2.978 1.00 0.26 H ATOM 1420 HB2 LEU A 90 -9.028 -1.713 1.694 1.00 0.29 H ATOM 1421 HB3 LEU A 90 -7.447 -0.992 1.942 1.00 0.27 H ATOM 1422 HG LEU A 90 -7.448 -3.664 0.679 1.00 0.30 H ATOM 1423 HD11 LEU A 90 -8.879 -1.341 -0.461 1.00 1.05 H ATOM 1424 HD12 LEU A 90 -9.130 -3.067 -0.713 1.00 1.08 H ATOM 1425 HD13 LEU A 90 -7.813 -2.238 -1.542 1.00 1.04 H ATOM 1426 HD21 LEU A 90 -5.992 -1.061 0.279 1.00 1.07 H ATOM 1427 HD22 LEU A 90 -5.768 -2.466 -0.762 1.00 1.01 H ATOM 1428 HD23 LEU A 90 -5.364 -2.566 0.952 1.00 1.10 H ATOM 1429 N ILE A 91 -5.704 -2.065 4.067 1.00 0.21 N ATOM 1430 CA ILE A 91 -4.312 -2.181 4.459 1.00 0.20 C ATOM 1431 C ILE A 91 -4.228 -3.075 5.678 1.00 0.22 C ATOM 1432 O ILE A 91 -3.336 -3.914 5.800 1.00 0.26 O ATOM 1433 CB ILE A 91 -3.680 -0.809 4.793 1.00 0.21 C ATOM 1434 CG1 ILE A 91 -3.764 0.117 3.588 1.00 0.21 C ATOM 1435 CG2 ILE A 91 -2.224 -0.970 5.224 1.00 0.22 C ATOM 1436 CD1 ILE A 91 -2.975 -0.390 2.412 1.00 0.15 C ATOM 1437 H ILE A 91 -6.213 -1.278 4.353 1.00 0.23 H ATOM 1438 HA ILE A 91 -3.769 -2.630 3.641 1.00 0.22 H ATOM 1439 HB ILE A 91 -4.229 -0.372 5.614 1.00 0.22 H ATOM 1440 HG12 ILE A 91 -4.792 0.213 3.280 1.00 0.26 H ATOM 1441 HG13 ILE A 91 -3.377 1.088 3.857 1.00 0.25 H ATOM 1442 HG21 ILE A 91 -1.588 -1.020 4.344 1.00 1.01 H ATOM 1443 HG22 ILE A 91 -2.115 -1.876 5.798 1.00 0.97 H ATOM 1444 HG23 ILE A 91 -1.930 -0.120 5.832 1.00 1.01 H ATOM 1445 HD11 ILE A 91 -2.676 0.447 1.796 1.00 1.06 H ATOM 1446 HD12 ILE A 91 -3.587 -1.070 1.838 1.00 1.03 H ATOM 1447 HD13 ILE A 91 -2.098 -0.910 2.771 1.00 0.97 H ATOM 1448 N GLN A 92 -5.197 -2.896 6.570 1.00 0.29 N ATOM 1449 CA GLN A 92 -5.277 -3.693 7.778 1.00 0.35 C ATOM 1450 C GLN A 92 -5.378 -5.160 7.403 1.00 0.32 C ATOM 1451 O GLN A 92 -4.813 -6.023 8.075 1.00 0.36 O ATOM 1452 CB GLN A 92 -6.485 -3.279 8.621 1.00 0.45 C ATOM 1453 CG GLN A 92 -6.271 -1.992 9.399 1.00 0.48 C ATOM 1454 CD GLN A 92 -4.804 -1.642 9.554 1.00 0.69 C ATOM 1455 OE1 GLN A 92 -4.246 -1.725 10.648 1.00 1.60 O ATOM 1456 NE2 GLN A 92 -4.170 -1.248 8.455 1.00 0.57 N ATOM 1457 H GLN A 92 -5.886 -2.221 6.396 1.00 0.33 H ATOM 1458 HA GLN A 92 -4.373 -3.535 8.347 1.00 0.39 H ATOM 1459 HB2 GLN A 92 -7.334 -3.145 7.969 1.00 0.65 H ATOM 1460 HB3 GLN A 92 -6.705 -4.068 9.325 1.00 0.66 H ATOM 1461 HG2 GLN A 92 -6.764 -1.185 8.878 1.00 0.74 H ATOM 1462 HG3 GLN A 92 -6.706 -2.103 10.381 1.00 0.89 H ATOM 1463 HE21 GLN A 92 -4.678 -1.205 7.618 1.00 1.02 H ATOM 1464 HE22 GLN A 92 -3.221 -1.016 8.527 1.00 0.78 H ATOM 1465 N TYR A 93 -6.084 -5.439 6.306 1.00 0.31 N ATOM 1466 CA TYR A 93 -6.221 -6.805 5.843 1.00 0.34 C ATOM 1467 C TYR A 93 -4.881 -7.289 5.303 1.00 0.29 C ATOM 1468 O TYR A 93 -4.527 -8.459 5.453 1.00 0.34 O ATOM 1469 CB TYR A 93 -7.314 -6.905 4.778 1.00 0.43 C ATOM 1470 CG TYR A 93 -6.831 -7.427 3.448 1.00 0.40 C ATOM 1471 CD1 TYR A 93 -6.516 -8.768 3.275 1.00 0.74 C ATOM 1472 CD2 TYR A 93 -6.698 -6.577 2.362 1.00 0.68 C ATOM 1473 CE1 TYR A 93 -6.080 -9.245 2.054 1.00 0.88 C ATOM 1474 CE2 TYR A 93 -6.263 -7.045 1.140 1.00 0.74 C ATOM 1475 CZ TYR A 93 -5.955 -8.380 0.990 1.00 0.69 C ATOM 1476 OH TYR A 93 -5.524 -8.851 -0.229 1.00 0.91 O ATOM 1477 H TYR A 93 -6.503 -4.709 5.790 1.00 0.33 H ATOM 1478 HA TYR A 93 -6.495 -7.415 6.691 1.00 0.40 H ATOM 1479 HB2 TYR A 93 -8.088 -7.570 5.131 1.00 0.53 H ATOM 1480 HB3 TYR A 93 -7.737 -5.924 4.616 1.00 0.59 H ATOM 1481 HD1 TYR A 93 -6.614 -9.444 4.112 1.00 1.08 H ATOM 1482 HD2 TYR A 93 -6.939 -5.531 2.481 1.00 1.06 H ATOM 1483 HE1 TYR A 93 -5.839 -10.289 1.936 1.00 1.30 H ATOM 1484 HE2 TYR A 93 -6.163 -6.366 0.311 1.00 1.09 H ATOM 1485 HH TYR A 93 -6.041 -8.448 -0.930 1.00 1.41 H ATOM 1486 N HIS A 94 -4.122 -6.373 4.696 1.00 0.25 N ATOM 1487 CA HIS A 94 -2.809 -6.710 4.166 1.00 0.28 C ATOM 1488 C HIS A 94 -1.737 -6.556 5.241 1.00 0.29 C ATOM 1489 O HIS A 94 -0.654 -7.133 5.140 1.00 0.45 O ATOM 1490 CB HIS A 94 -2.483 -5.849 2.948 1.00 0.34 C ATOM 1491 CG HIS A 94 -2.778 -6.543 1.659 1.00 0.49 C ATOM 1492 ND1 HIS A 94 -3.929 -6.326 0.938 1.00 0.59 N ATOM 1493 CD2 HIS A 94 -2.083 -7.484 0.981 1.00 1.28 C ATOM 1494 CE1 HIS A 94 -3.933 -7.108 -0.125 1.00 0.50 C ATOM 1495 NE2 HIS A 94 -2.823 -7.821 -0.125 1.00 1.07 N ATOM 1496 H HIS A 94 -4.447 -5.444 4.616 1.00 0.25 H ATOM 1497 HA HIS A 94 -2.835 -7.740 3.862 1.00 0.34 H ATOM 1498 HB2 HIS A 94 -3.073 -4.945 2.983 1.00 0.37 H ATOM 1499 HB3 HIS A 94 -1.433 -5.595 2.960 1.00 0.37 H ATOM 1500 HD1 HIS A 94 -4.637 -5.688 1.167 1.00 1.22 H ATOM 1501 HD2 HIS A 94 -1.122 -7.895 1.259 1.00 2.02 H ATOM 1502 HE1 HIS A 94 -4.722 -7.174 -0.857 1.00 0.74 H ATOM 1503 HE2 HIS A 94 -2.672 -8.611 -0.681 1.00 1.52 H ATOM 1504 N GLN A 95 -2.051 -5.779 6.275 1.00 0.24 N ATOM 1505 CA GLN A 95 -1.121 -5.552 7.378 1.00 0.30 C ATOM 1506 C GLN A 95 -1.169 -6.706 8.375 1.00 0.37 C ATOM 1507 O GLN A 95 -0.135 -7.158 8.866 1.00 0.63 O ATOM 1508 CB GLN A 95 -1.454 -4.240 8.089 1.00 0.36 C ATOM 1509 CG GLN A 95 -0.435 -3.139 7.845 1.00 0.69 C ATOM 1510 CD GLN A 95 -0.458 -2.074 8.925 1.00 0.86 C ATOM 1511 OE1 GLN A 95 -0.348 -2.376 10.113 1.00 1.51 O ATOM 1512 NE2 GLN A 95 -0.602 -0.819 8.516 1.00 1.24 N ATOM 1513 H GLN A 95 -2.932 -5.351 6.299 1.00 0.29 H ATOM 1514 HA GLN A 95 -0.125 -5.485 6.972 1.00 0.28 H ATOM 1515 HB2 GLN A 95 -2.416 -3.893 7.745 1.00 0.71 H ATOM 1516 HB3 GLN A 95 -1.505 -4.425 9.151 1.00 0.67 H ATOM 1517 HG2 GLN A 95 0.551 -3.578 7.816 1.00 1.22 H ATOM 1518 HG3 GLN A 95 -0.649 -2.672 6.895 1.00 1.09 H ATOM 1519 HE21 GLN A 95 -0.684 -0.653 7.553 1.00 1.56 H ATOM 1520 HE22 GLN A 95 -0.621 -0.111 9.192 1.00 1.60 H ATOM 1521 N TYR A 96 -2.377 -7.176 8.671 1.00 0.42 N ATOM 1522 CA TYR A 96 -2.561 -8.275 9.610 1.00 0.51 C ATOM 1523 C TYR A 96 -2.656 -9.610 8.879 1.00 0.58 C ATOM 1524 O TYR A 96 -1.682 -10.358 8.803 1.00 0.94 O ATOM 1525 CB TYR A 96 -3.821 -8.051 10.448 1.00 0.60 C ATOM 1526 CG TYR A 96 -3.606 -7.134 11.630 1.00 0.70 C ATOM 1527 CD1 TYR A 96 -3.361 -5.779 11.447 1.00 0.87 C ATOM 1528 CD2 TYR A 96 -3.650 -7.623 12.930 1.00 1.08 C ATOM 1529 CE1 TYR A 96 -3.165 -4.938 12.525 1.00 1.01 C ATOM 1530 CE2 TYR A 96 -3.455 -6.788 14.013 1.00 1.24 C ATOM 1531 CZ TYR A 96 -3.213 -5.446 13.805 1.00 1.06 C ATOM 1532 OH TYR A 96 -3.018 -4.611 14.881 1.00 1.28 O ATOM 1533 H TYR A 96 -3.163 -6.773 8.249 1.00 0.57 H ATOM 1534 HA TYR A 96 -1.704 -8.296 10.264 1.00 0.53 H ATOM 1535 HB2 TYR A 96 -4.587 -7.610 9.823 1.00 0.64 H ATOM 1536 HB3 TYR A 96 -4.169 -9.004 10.824 1.00 0.68 H ATOM 1537 HD1 TYR A 96 -3.325 -5.384 10.442 1.00 1.15 H ATOM 1538 HD2 TYR A 96 -3.840 -8.674 13.089 1.00 1.41 H ATOM 1539 HE1 TYR A 96 -2.975 -3.887 12.361 1.00 1.32 H ATOM 1540 HE2 TYR A 96 -3.492 -7.187 15.016 1.00 1.64 H ATOM 1541 HH TYR A 96 -2.340 -3.966 14.668 1.00 1.50 H ATOM 1542 N ASN A 97 -3.837 -9.902 8.343 1.00 0.70 N ATOM 1543 CA ASN A 97 -4.060 -11.147 7.618 1.00 0.77 C ATOM 1544 C ASN A 97 -2.845 -11.506 6.771 1.00 0.84 C ATOM 1545 O ASN A 97 -1.971 -12.254 7.207 1.00 1.51 O ATOM 1546 CB ASN A 97 -5.300 -11.030 6.729 1.00 0.77 C ATOM 1547 CG ASN A 97 -6.558 -10.742 7.524 1.00 1.15 C ATOM 1548 OD1 ASN A 97 -7.351 -11.642 7.799 1.00 1.88 O ATOM 1549 ND2 ASN A 97 -6.746 -9.482 7.899 1.00 1.55 N ATOM 1550 H ASN A 97 -4.574 -9.265 8.437 1.00 0.99 H ATOM 1551 HA ASN A 97 -4.222 -11.929 8.344 1.00 0.88 H ATOM 1552 HB2 ASN A 97 -5.153 -10.227 6.021 1.00 1.19 H ATOM 1553 HB3 ASN A 97 -5.439 -11.956 6.192 1.00 1.09 H ATOM 1554 HD21 ASN A 97 -6.072 -8.818 7.644 1.00 1.71 H ATOM 1555 HD22 ASN A 97 -7.552 -9.268 8.414 1.00 2.07 H ATOM 1556 N GLY A 98 -2.795 -10.964 5.559 1.00 1.14 N ATOM 1557 CA GLY A 98 -1.681 -11.236 4.673 1.00 1.22 C ATOM 1558 C GLY A 98 -2.119 -11.464 3.240 1.00 0.89 C ATOM 1559 O GLY A 98 -2.330 -12.602 2.822 1.00 1.48 O ATOM 1560 H GLY A 98 -3.520 -10.372 5.266 1.00 1.73 H ATOM 1561 HA2 GLY A 98 -1.003 -10.397 4.700 1.00 1.50 H ATOM 1562 HA3 GLY A 98 -1.163 -12.116 5.023 1.00 1.53 H ATOM 1563 N GLY A 99 -2.254 -10.379 2.483 1.00 0.76 N ATOM 1564 CA GLY A 99 -2.665 -10.493 1.097 1.00 0.65 C ATOM 1565 C GLY A 99 -1.551 -11.006 0.205 1.00 0.90 C ATOM 1566 O GLY A 99 -0.405 -10.570 0.318 1.00 1.91 O ATOM 1567 H GLY A 99 -2.070 -9.497 2.868 1.00 1.31 H ATOM 1568 HA2 GLY A 99 -3.501 -11.174 1.039 1.00 0.76 H ATOM 1569 HA3 GLY A 99 -2.981 -9.521 0.742 1.00 0.83 H ATOM 1570 N GLY A 100 -1.887 -11.940 -0.680 1.00 0.79 N ATOM 1571 CA GLY A 100 -0.901 -12.508 -1.581 1.00 0.85 C ATOM 1572 C GLY A 100 -0.132 -11.457 -2.360 1.00 1.01 C ATOM 1573 O GLY A 100 -0.233 -11.385 -3.584 1.00 1.91 O ATOM 1574 H GLY A 100 -2.815 -12.251 -0.719 1.00 1.44 H ATOM 1575 HA2 GLY A 100 -0.200 -13.093 -1.004 1.00 0.88 H ATOM 1576 HA3 GLY A 100 -1.404 -13.159 -2.280 1.00 0.98 H ATOM 1577 N LEU A 101 0.649 -10.649 -1.650 1.00 0.89 N ATOM 1578 CA LEU A 101 1.451 -9.607 -2.282 1.00 0.90 C ATOM 1579 C LEU A 101 2.931 -9.836 -1.992 1.00 0.81 C ATOM 1580 O LEU A 101 3.328 -10.930 -1.594 1.00 1.12 O ATOM 1581 CB LEU A 101 1.026 -8.223 -1.783 1.00 0.94 C ATOM 1582 CG LEU A 101 -0.358 -7.762 -2.245 1.00 0.86 C ATOM 1583 CD1 LEU A 101 -1.341 -8.921 -2.223 1.00 1.26 C ATOM 1584 CD2 LEU A 101 -0.852 -6.615 -1.376 1.00 1.49 C ATOM 1585 H LEU A 101 0.695 -10.763 -0.678 1.00 1.46 H ATOM 1586 HA LEU A 101 1.291 -9.664 -3.348 1.00 1.09 H ATOM 1587 HB2 LEU A 101 1.036 -8.235 -0.703 1.00 1.12 H ATOM 1588 HB3 LEU A 101 1.752 -7.502 -2.125 1.00 1.31 H ATOM 1589 HG LEU A 101 -0.294 -7.405 -3.261 1.00 1.39 H ATOM 1590 HD11 LEU A 101 -2.343 -8.546 -2.368 1.00 1.73 H ATOM 1591 HD12 LEU A 101 -1.279 -9.427 -1.271 1.00 1.87 H ATOM 1592 HD13 LEU A 101 -1.098 -9.614 -3.015 1.00 1.78 H ATOM 1593 HD21 LEU A 101 -0.562 -6.790 -0.350 1.00 1.85 H ATOM 1594 HD22 LEU A 101 -1.928 -6.551 -1.441 1.00 2.00 H ATOM 1595 HD23 LEU A 101 -0.415 -5.689 -1.719 1.00 2.07 H ATOM 1596 N VAL A 102 3.745 -8.804 -2.188 1.00 0.69 N ATOM 1597 CA VAL A 102 5.175 -8.917 -1.936 1.00 0.61 C ATOM 1598 C VAL A 102 5.435 -9.415 -0.518 1.00 0.53 C ATOM 1599 O VAL A 102 6.546 -9.829 -0.187 1.00 0.64 O ATOM 1600 CB VAL A 102 5.900 -7.573 -2.148 1.00 0.55 C ATOM 1601 CG1 VAL A 102 5.095 -6.671 -3.070 1.00 1.09 C ATOM 1602 CG2 VAL A 102 6.167 -6.887 -0.817 1.00 1.11 C ATOM 1603 H VAL A 102 3.377 -7.952 -2.503 1.00 0.89 H ATOM 1604 HA VAL A 102 5.579 -9.634 -2.636 1.00 0.74 H ATOM 1605 HB VAL A 102 6.851 -7.773 -2.621 1.00 1.04 H ATOM 1606 HG11 VAL A 102 4.743 -7.243 -3.916 1.00 1.53 H ATOM 1607 HG12 VAL A 102 5.721 -5.863 -3.418 1.00 1.74 H ATOM 1608 HG13 VAL A 102 4.251 -6.268 -2.531 1.00 1.67 H ATOM 1609 HG21 VAL A 102 5.509 -7.292 -0.063 1.00 1.76 H ATOM 1610 HG22 VAL A 102 5.990 -5.826 -0.918 1.00 1.78 H ATOM 1611 HG23 VAL A 102 7.195 -7.054 -0.526 1.00 1.40 H ATOM 1612 N THR A 103 4.396 -9.380 0.313 1.00 0.48 N ATOM 1613 CA THR A 103 4.502 -9.836 1.696 1.00 0.53 C ATOM 1614 C THR A 103 3.434 -9.189 2.576 1.00 0.51 C ATOM 1615 O THR A 103 3.644 -8.990 3.771 1.00 0.86 O ATOM 1616 CB THR A 103 5.893 -9.533 2.254 1.00 0.61 C ATOM 1617 OG1 THR A 103 5.890 -9.596 3.669 1.00 1.08 O ATOM 1618 CG2 THR A 103 6.416 -8.170 1.857 1.00 0.57 C ATOM 1619 H THR A 103 3.535 -9.045 -0.014 1.00 0.51 H ATOM 1620 HA THR A 103 4.350 -10.905 1.700 1.00 0.64 H ATOM 1621 HB THR A 103 6.587 -10.274 1.883 1.00 1.03 H ATOM 1622 HG1 THR A 103 5.149 -10.131 3.964 1.00 1.65 H ATOM 1623 HG21 THR A 103 5.643 -7.431 2.002 1.00 1.19 H ATOM 1624 HG22 THR A 103 6.710 -8.186 0.818 1.00 1.16 H ATOM 1625 HG23 THR A 103 7.271 -7.923 2.468 1.00 1.26 H ATOM 1626 N ARG A 104 2.287 -8.873 1.976 1.00 0.47 N ATOM 1627 CA ARG A 104 1.175 -8.255 2.698 1.00 0.52 C ATOM 1628 C ARG A 104 1.667 -7.250 3.737 1.00 0.60 C ATOM 1629 O ARG A 104 2.459 -7.586 4.615 1.00 1.21 O ATOM 1630 CB ARG A 104 0.324 -9.330 3.378 1.00 0.60 C ATOM 1631 CG ARG A 104 1.109 -10.220 4.328 1.00 0.68 C ATOM 1632 CD ARG A 104 0.939 -9.781 5.774 1.00 1.02 C ATOM 1633 NE ARG A 104 1.865 -10.472 6.667 1.00 1.25 N ATOM 1634 CZ ARG A 104 1.981 -10.201 7.963 1.00 1.29 C ATOM 1635 NH1 ARG A 104 1.231 -9.256 8.514 1.00 1.59 N ATOM 1636 NH2 ARG A 104 2.846 -10.874 8.708 1.00 1.78 N ATOM 1637 H ARG A 104 2.183 -9.065 1.021 1.00 0.69 H ATOM 1638 HA ARG A 104 0.564 -7.734 1.976 1.00 0.55 H ATOM 1639 HB2 ARG A 104 -0.463 -8.847 3.939 1.00 0.85 H ATOM 1640 HB3 ARG A 104 -0.120 -9.955 2.618 1.00 0.72 H ATOM 1641 HG2 ARG A 104 0.755 -11.235 4.228 1.00 0.95 H ATOM 1642 HG3 ARG A 104 2.155 -10.174 4.068 1.00 0.90 H ATOM 1643 HD2 ARG A 104 1.119 -8.718 5.838 1.00 1.23 H ATOM 1644 HD3 ARG A 104 -0.074 -9.992 6.087 1.00 1.56 H ATOM 1645 HE ARG A 104 2.428 -11.175 6.280 1.00 1.83 H ATOM 1646 HH11 ARG A 104 0.577 -8.746 7.954 1.00 1.74 H ATOM 1647 HH12 ARG A 104 1.320 -9.053 9.489 1.00 2.05 H ATOM 1648 HH21 ARG A 104 3.412 -11.587 8.296 1.00 2.24 H ATOM 1649 HH22 ARG A 104 2.932 -10.668 9.683 1.00 1.96 H ATOM 1650 N LEU A 105 1.183 -6.014 3.632 1.00 0.31 N ATOM 1651 CA LEU A 105 1.568 -4.956 4.563 1.00 0.27 C ATOM 1652 C LEU A 105 2.429 -5.501 5.696 1.00 0.26 C ATOM 1653 O LEU A 105 1.989 -5.576 6.843 1.00 0.32 O ATOM 1654 CB LEU A 105 0.329 -4.262 5.135 1.00 0.30 C ATOM 1655 CG LEU A 105 -0.290 -3.206 4.236 1.00 0.42 C ATOM 1656 CD1 LEU A 105 0.540 -3.031 2.988 1.00 0.34 C ATOM 1657 CD2 LEU A 105 -1.712 -3.574 3.876 1.00 0.91 C ATOM 1658 H LEU A 105 0.550 -5.809 2.913 1.00 0.70 H ATOM 1659 HA LEU A 105 2.148 -4.231 4.011 1.00 0.31 H ATOM 1660 HB2 LEU A 105 -0.419 -5.005 5.330 1.00 0.27 H ATOM 1661 HB3 LEU A 105 0.601 -3.793 6.068 1.00 0.37 H ATOM 1662 HG LEU A 105 -0.313 -2.268 4.760 1.00 0.81 H ATOM 1663 HD11 LEU A 105 0.553 -3.955 2.433 1.00 1.10 H ATOM 1664 HD12 LEU A 105 1.544 -2.763 3.269 1.00 1.13 H ATOM 1665 HD13 LEU A 105 0.112 -2.249 2.381 1.00 1.03 H ATOM 1666 HD21 LEU A 105 -2.355 -2.744 4.102 1.00 1.55 H ATOM 1667 HD22 LEU A 105 -2.018 -4.436 4.449 1.00 1.35 H ATOM 1668 HD23 LEU A 105 -1.769 -3.798 2.820 1.00 1.47 H ATOM 1669 N ARG A 106 3.660 -5.874 5.367 1.00 0.24 N ATOM 1670 CA ARG A 106 4.587 -6.403 6.358 1.00 0.26 C ATOM 1671 C ARG A 106 4.972 -5.321 7.357 1.00 0.25 C ATOM 1672 O ARG A 106 5.099 -5.579 8.554 1.00 0.30 O ATOM 1673 CB ARG A 106 5.841 -6.945 5.673 1.00 0.28 C ATOM 1674 CG ARG A 106 6.493 -8.098 6.418 1.00 0.63 C ATOM 1675 CD ARG A 106 6.751 -7.746 7.874 1.00 1.22 C ATOM 1676 NE ARG A 106 7.205 -8.901 8.644 1.00 1.36 N ATOM 1677 CZ ARG A 106 6.921 -9.087 9.928 1.00 1.65 C ATOM 1678 NH1 ARG A 106 6.187 -8.198 10.583 1.00 2.07 N ATOM 1679 NH2 ARG A 106 7.371 -10.163 10.560 1.00 2.23 N ATOM 1680 H ARG A 106 3.955 -5.784 4.436 1.00 0.27 H ATOM 1681 HA ARG A 106 4.094 -7.208 6.882 1.00 0.28 H ATOM 1682 HB2 ARG A 106 5.577 -7.286 4.683 1.00 0.57 H ATOM 1683 HB3 ARG A 106 6.561 -6.144 5.589 1.00 0.48 H ATOM 1684 HG2 ARG A 106 5.839 -8.956 6.376 1.00 1.13 H ATOM 1685 HG3 ARG A 106 7.433 -8.336 5.942 1.00 1.37 H ATOM 1686 HD2 ARG A 106 7.507 -6.977 7.917 1.00 1.97 H ATOM 1687 HD3 ARG A 106 5.835 -7.374 8.308 1.00 1.92 H ATOM 1688 HE ARG A 106 7.749 -9.571 8.179 1.00 1.87 H ATOM 1689 HH11 ARG A 106 5.846 -7.385 10.109 1.00 2.22 H ATOM 1690 HH12 ARG A 106 5.974 -8.339 11.549 1.00 2.62 H ATOM 1691 HH21 ARG A 106 7.924 -10.836 10.070 1.00 2.62 H ATOM 1692 HH22 ARG A 106 7.156 -10.301 11.527 1.00 2.58 H ATOM 1693 N TYR A 107 5.151 -4.106 6.853 1.00 0.22 N ATOM 1694 CA TYR A 107 5.518 -2.975 7.695 1.00 0.23 C ATOM 1695 C TYR A 107 5.355 -1.663 6.943 1.00 0.21 C ATOM 1696 O TYR A 107 6.260 -1.228 6.231 1.00 0.22 O ATOM 1697 CB TYR A 107 6.959 -3.099 8.182 1.00 0.26 C ATOM 1698 CG TYR A 107 7.371 -1.936 9.048 1.00 0.31 C ATOM 1699 CD1 TYR A 107 6.895 -1.821 10.345 1.00 1.19 C ATOM 1700 CD2 TYR A 107 8.211 -0.943 8.565 1.00 1.20 C ATOM 1701 CE1 TYR A 107 7.245 -0.751 11.139 1.00 1.23 C ATOM 1702 CE2 TYR A 107 8.570 0.130 9.354 1.00 1.23 C ATOM 1703 CZ TYR A 107 8.083 0.224 10.641 1.00 0.50 C ATOM 1704 OH TYR A 107 8.435 1.294 11.430 1.00 0.62 O ATOM 1705 H TYR A 107 5.030 -3.965 5.887 1.00 0.20 H ATOM 1706 HA TYR A 107 4.861 -2.966 8.554 1.00 0.25 H ATOM 1707 HB2 TYR A 107 7.065 -4.005 8.761 1.00 0.30 H ATOM 1708 HB3 TYR A 107 7.623 -3.136 7.331 1.00 0.28 H ATOM 1709 HD1 TYR A 107 6.241 -2.587 10.734 1.00 2.05 H ATOM 1710 HD2 TYR A 107 8.593 -1.020 7.558 1.00 2.07 H ATOM 1711 HE1 TYR A 107 6.860 -0.682 12.143 1.00 2.10 H ATOM 1712 HE2 TYR A 107 9.222 0.892 8.959 1.00 2.10 H ATOM 1713 HH TYR A 107 7.796 2.001 11.315 1.00 0.91 H ATOM 1714 N PRO A 108 4.198 -1.010 7.090 1.00 0.21 N ATOM 1715 CA PRO A 108 3.925 0.257 6.424 1.00 0.22 C ATOM 1716 C PRO A 108 5.065 1.264 6.595 1.00 0.23 C ATOM 1717 O PRO A 108 5.508 1.534 7.709 1.00 0.42 O ATOM 1718 CB PRO A 108 2.642 0.760 7.107 1.00 0.26 C ATOM 1719 CG PRO A 108 2.433 -0.135 8.283 1.00 0.28 C ATOM 1720 CD PRO A 108 3.062 -1.442 7.909 1.00 0.25 C ATOM 1721 HA PRO A 108 3.736 0.107 5.374 1.00 0.23 H ATOM 1722 HB2 PRO A 108 2.771 1.787 7.410 1.00 0.30 H ATOM 1723 HB3 PRO A 108 1.819 0.687 6.412 1.00 0.28 H ATOM 1724 HG2 PRO A 108 2.917 0.280 9.155 1.00 0.30 H ATOM 1725 HG3 PRO A 108 1.375 -0.266 8.463 1.00 0.31 H ATOM 1726 HD2 PRO A 108 3.390 -1.976 8.788 1.00 0.27 H ATOM 1727 HD3 PRO A 108 2.371 -2.038 7.328 1.00 0.25 H ATOM 1728 N VAL A 109 5.541 1.803 5.477 1.00 0.35 N ATOM 1729 CA VAL A 109 6.618 2.763 5.471 1.00 0.38 C ATOM 1730 C VAL A 109 6.083 4.182 5.368 1.00 0.37 C ATOM 1731 O VAL A 109 4.977 4.405 4.877 1.00 0.44 O ATOM 1732 CB VAL A 109 7.532 2.506 4.271 1.00 0.44 C ATOM 1733 CG1 VAL A 109 8.130 3.805 3.770 1.00 1.28 C ATOM 1734 CG2 VAL A 109 8.594 1.489 4.633 1.00 1.42 C ATOM 1735 H VAL A 109 5.164 1.541 4.623 1.00 0.54 H ATOM 1736 HA VAL A 109 7.192 2.652 6.377 1.00 0.43 H ATOM 1737 HB VAL A 109 6.929 2.090 3.476 1.00 1.37 H ATOM 1738 HG11 VAL A 109 8.852 4.170 4.484 1.00 1.87 H ATOM 1739 HG12 VAL A 109 7.339 4.533 3.647 1.00 1.96 H ATOM 1740 HG13 VAL A 109 8.613 3.635 2.819 1.00 1.85 H ATOM 1741 HG21 VAL A 109 9.136 1.826 5.503 1.00 1.94 H ATOM 1742 HG22 VAL A 109 9.277 1.365 3.805 1.00 2.05 H ATOM 1743 HG23 VAL A 109 8.110 0.548 4.851 1.00 2.05 H ATOM 1744 N CYS A 110 6.881 5.142 5.808 1.00 0.48 N ATOM 1745 CA CYS A 110 6.489 6.537 5.737 1.00 0.53 C ATOM 1746 C CYS A 110 7.695 7.412 5.438 1.00 0.58 C ATOM 1747 O CYS A 110 8.343 7.939 6.342 1.00 0.65 O ATOM 1748 CB CYS A 110 5.818 6.974 7.036 1.00 0.64 C ATOM 1749 SG CYS A 110 6.248 8.647 7.570 1.00 1.12 S ATOM 1750 H CYS A 110 7.760 4.908 6.172 1.00 0.63 H ATOM 1751 HA CYS A 110 5.782 6.637 4.927 1.00 0.51 H ATOM 1752 HB2 CYS A 110 4.748 6.938 6.902 1.00 0.85 H ATOM 1753 HB3 CYS A 110 6.101 6.292 7.823 1.00 0.78 H ATOM 1754 HG CYS A 110 5.528 9.231 7.323 1.00 1.63 H ATOM 1755 N GLY A 111 7.987 7.553 4.154 1.00 0.58 N ATOM 1756 CA GLY A 111 9.115 8.361 3.729 1.00 0.67 C ATOM 1757 C GLY A 111 9.241 9.646 4.524 1.00 1.30 C ATOM 1758 O GLY A 111 8.404 9.938 5.379 1.00 2.11 O ATOM 1759 H GLY A 111 7.430 7.097 3.487 1.00 0.55 H ATOM 1760 HA2 GLY A 111 10.021 7.786 3.851 1.00 1.38 H ATOM 1761 HA3 GLY A 111 8.995 8.607 2.685 1.00 1.17 H HETATM 1762 N NH2 A 112 10.284 10.421 4.251 1.00 2.09 N HETATM 1763 HN1 NH2 A 112 10.910 10.126 3.557 1.00 2.34 H HETATM 1764 HN2 NH2 A 112 10.385 11.255 4.755 1.00 2.80 H TER 1765 NH2 A 112 CONECT 1 2 3 7 CONECT 2 1 CONECT 3 1 4 5 6 CONECT 4 3 CONECT 5 3 CONECT 6 3 CONECT 7 1 CONECT 1757 1762 CONECT 1762 1757 1763 1764 CONECT 1763 1762 CONECT 1764 1762 MASTER 132 0 2 2 6 0 1 6 1764 1 11 9 END