HEADER DNA-BINDING PROTEIN 24-DEC-98 1B4O TITLE NMR STUDY OF SSO7D MUTANT (F31A) MINIMIZED AVERAGE STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: ENDORIBONUCLEASE P2; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: SSO7D; COMPND 5 EC: 3.1.27.-; COMPND 6 ENGINEERED: YES; COMPND 7 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS; SOURCE 3 ORGANISM_TAXID: 2287; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 6 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3) PLYSE; SOURCE 7 EXPRESSION_SYSTEM_PLASMID: PT7-7 KEYWDS RNASE AND DNA-BINDING PROTEIN, THERMOSTABLE RIBONUCLEASE, KEYWDS 2 3D-STRUCTURE, NMR, SULFOLOBUS SOLFATARICUS EXPDTA SOLUTION NMR AUTHOR R.CONSONNI,L.SANTOMO,L.ZETTA REVDAT 3 24-FEB-09 1B4O 1 VERSN REVDAT 2 01-APR-03 1B4O 1 JRNL REVDAT 1 05-JAN-00 1B4O 0 JRNL AUTH R.CONSONNI,L.SANTOMO,P.FUSI,P.TORTORA,L.ZETTA JRNL TITL A SINGLE-POINT MUTATION IN THE EXTREME HEAT- AND JRNL TITL 2 PRESSURE-RESISTANT SSO7D PROTEIN FROM SULFOLOBUS JRNL TITL 3 SOLFATARICUS LEADS TO A MAJOR REARRANGEMENT OF THE JRNL TITL 4 HYDROPHOBIC CORE. JRNL REF BIOCHEMISTRY V. 38 12709 1999 JRNL REFN ISSN 0006-2960 JRNL PMID 10504241 JRNL DOI 10.1021/BI9911280 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH F.CATANZANO,G.GRAZIANO,P.FUSI,P.TORTORA,G.BARONE REMARK 1 TITL DIFFERENTIAL SCANNING CALORIMETRY STUDY OF THE REMARK 1 TITL 2 THERMODYNAMIC STABILITY OF SOME MUTANTS OF SSO7D REMARK 1 TITL 3 FROM SULFOLOBUS SOLFATARICUS REMARK 1 REF BIOCHEMISTRY V. 37 10493 1998 REMARK 1 REFN ISSN 0006-2960 REMARK 1 REFERENCE 2 REMARK 1 AUTH P.FUSI,K.GOOSSENS,R.CONSONNI,M.GRISA,P.PURICELLI, REMARK 1 AUTH 2 G.VECCHIO,M.VANONI,L.ZETTA,K.HEREMANS,P.TORTORA REMARK 1 TITL EXTREME HEAT-AND PRESSURE-RESISTANT 7-KDA PROTEIN REMARK 1 TITL 2 P2 FROM THE ARCHAEON SULFOLOBUS SOLFATARICUS IS REMARK 1 TITL 3 DRAMATICALLY DESTABILIZED BY A SINGLE-POINT AMINO REMARK 1 TITL 4 ACID SUBSTITUTION REMARK 1 REF PROTEINS V. 29 381 1997 REMARK 1 REFN ISSN 0887-3585 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : DISCOVER 2.9 REMARK 3 AUTHORS : DAUBER-OSGUTHORPE REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1B4O COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 300 REMARK 210 PH : 4.5 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : H2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : DQF-COSY, GE-TOCSY, GE-NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ REMARK 210 SPECTROMETER MODEL : DMX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : DISCOVER, FELIX REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 50 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : LOWEST ENERGY TERM REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: THE MINIMIZED AVERAGE STRUCTURE WAS DETERMINED USING 22 REMARK 210 SELECTED CONFORMERS 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: COVALENT BOND LENGTHS REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 GLU A 10 CD GLU A 10 OE2 0.118 REMARK 500 GLU A 11 CD GLU A 11 OE2 0.120 REMARK 500 GLU A 35 CD GLU A 35 OE2 0.121 REMARK 500 GLU A 47 CD GLU A 47 OE2 0.120 REMARK 500 GLU A 53 CD GLU A 53 OE2 0.119 REMARK 500 GLU A 59 CD GLU A 59 OE2 0.118 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 ARG A 24 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES REMARK 500 ARG A 42 NE - CZ - NH1 ANGL. DEV. = 3.6 DEGREES REMARK 500 LEU A 58 CA - C - N ANGL. DEV. = 13.7 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 PHE A 5 -117.09 -101.67 REMARK 500 LYS A 6 85.33 56.00 REMARK 500 LYS A 8 -64.17 -98.07 REMARK 500 LYS A 21 107.78 80.46 REMARK 500 VAL A 22 -83.79 -128.33 REMARK 500 ARG A 24 -73.13 -143.53 REMARK 500 GLU A 47 -47.51 -158.21 REMARK 500 GLU A 59 84.98 85.15 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS REMARK 500 REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH REMARK 500 CIS AND TRANS CONFORMATION. CIS BONDS, IF ANY, ARE LISTED REMARK 500 ON CISPEP RECORDS. TRANS IS DEFINED AS 180 +/- 30 AND REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES. REMARK 500 MODEL OMEGA REMARK 500 ARG A 24 VAL A 25 -148.84 REMARK 500 REMARK 500 REMARK: NULL DBREF 1B4O A 1 62 UNP P61991 DN71_SULSO 1 62 SEQADV 1B4O ALA A 31 UNP P61991 PHE 31 CONFLICT SEQRES 1 A 62 ALA THR VAL LYS PHE LYS TYR LYS GLY GLU GLU LYS GLN SEQRES 2 A 62 VAL ASP ILE SER LYS ILE LYS LYS VAL TRP ARG VAL GLY SEQRES 3 A 62 LYS MET ILE SER ALA THR TYR ASP GLU GLY GLY GLY LYS SEQRES 4 A 62 THR GLY ARG GLY ALA VAL SER GLU LYS ASP ALA PRO LYS SEQRES 5 A 62 GLU LEU LEU GLN MET LEU GLU LYS GLN LYS HELIX 1 H1 LYS A 52 LEU A 58 1 7 SHEET 1 A 2 SER A 30 ALA A 31 0 SHEET 2 A 2 GLY A 43 ALA A 44 -1 O GLY A 43 N ALA A 31 CISPEP 1 LEU A 58 GLU A 59 0 -8.94 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 ATOM 1 N ALA A 1 -4.395 0.453 -11.213 1.00 0.00 N ATOM 2 CA ALA A 1 -3.702 1.482 -10.412 1.00 0.00 C ATOM 3 C ALA A 1 -2.983 0.805 -9.222 1.00 0.00 C ATOM 4 O ALA A 1 -3.625 0.380 -8.254 1.00 0.00 O ATOM 5 CB ALA A 1 -4.709 2.561 -9.972 1.00 0.00 C ATOM 6 H1 ALA A 1 -3.747 -0.277 -11.531 1.00 0.00 H ATOM 7 H2 ALA A 1 -5.133 -0.011 -10.672 1.00 0.00 H ATOM 8 H3 ALA A 1 -4.834 0.856 -12.049 1.00 0.00 H ATOM 9 HA ALA A 1 -2.966 1.979 -11.076 1.00 0.00 H ATOM 10 HB1 ALA A 1 -5.204 3.037 -10.839 1.00 0.00 H ATOM 11 HB2 ALA A 1 -5.506 2.155 -9.321 1.00 0.00 H ATOM 12 HB3 ALA A 1 -4.208 3.369 -9.408 1.00 0.00 H ATOM 13 N THR A 2 -1.644 0.695 -9.318 1.00 0.00 N ATOM 14 CA THR A 2 -0.814 -0.037 -8.318 1.00 0.00 C ATOM 15 C THR A 2 -0.300 0.904 -7.192 1.00 0.00 C ATOM 16 O THR A 2 -0.067 2.098 -7.410 1.00 0.00 O ATOM 17 CB THR A 2 0.338 -0.848 -8.989 1.00 0.00 C ATOM 18 OG1 THR A 2 1.199 -0.003 -9.749 1.00 0.00 O ATOM 19 CG2 THR A 2 -0.141 -2.014 -9.875 1.00 0.00 C ATOM 20 H THR A 2 -1.233 1.116 -10.158 1.00 0.00 H ATOM 21 HA THR A 2 -1.458 -0.790 -7.835 1.00 0.00 H ATOM 22 HB THR A 2 0.950 -1.302 -8.189 1.00 0.00 H ATOM 23 HG1 THR A 2 1.616 0.586 -9.116 1.00 0.00 H ATOM 24 HG21 THR A 2 -0.783 -2.715 -9.309 1.00 0.00 H ATOM 25 HG22 THR A 2 -0.726 -1.663 -10.744 1.00 0.00 H ATOM 26 HG23 THR A 2 0.711 -2.601 -10.268 1.00 0.00 H ATOM 27 N VAL A 3 -0.112 0.333 -5.983 1.00 0.00 N ATOM 28 CA VAL A 3 0.381 1.082 -4.789 1.00 0.00 C ATOM 29 C VAL A 3 1.936 1.255 -4.843 1.00 0.00 C ATOM 30 O VAL A 3 2.697 0.479 -4.256 1.00 0.00 O ATOM 31 CB VAL A 3 -0.143 0.464 -3.441 1.00 0.00 C ATOM 32 CG1 VAL A 3 -1.629 0.774 -3.159 1.00 0.00 C ATOM 33 CG2 VAL A 3 0.112 -1.048 -3.228 1.00 0.00 C ATOM 34 H VAL A 3 -0.336 -0.668 -5.942 1.00 0.00 H ATOM 35 HA VAL A 3 -0.055 2.102 -4.819 1.00 0.00 H ATOM 36 HB VAL A 3 0.399 0.981 -2.631 1.00 0.00 H ATOM 37 HG11 VAL A 3 -1.805 1.862 -3.114 1.00 0.00 H ATOM 38 HG12 VAL A 3 -2.299 0.363 -3.935 1.00 0.00 H ATOM 39 HG13 VAL A 3 -1.962 0.366 -2.186 1.00 0.00 H ATOM 40 HG21 VAL A 3 1.169 -1.325 -3.382 1.00 0.00 H ATOM 41 HG22 VAL A 3 -0.141 -1.352 -2.196 1.00 0.00 H ATOM 42 HG23 VAL A 3 -0.491 -1.674 -3.911 1.00 0.00 H ATOM 43 N LYS A 4 2.389 2.304 -5.559 1.00 0.00 N ATOM 44 CA LYS A 4 3.831 2.620 -5.735 1.00 0.00 C ATOM 45 C LYS A 4 4.262 3.587 -4.601 1.00 0.00 C ATOM 46 O LYS A 4 3.648 4.643 -4.404 1.00 0.00 O ATOM 47 CB LYS A 4 4.116 3.258 -7.124 1.00 0.00 C ATOM 48 CG LYS A 4 3.798 2.374 -8.354 1.00 0.00 C ATOM 49 CD LYS A 4 4.392 2.856 -9.700 1.00 0.00 C ATOM 50 CE LYS A 4 3.760 4.105 -10.352 1.00 0.00 C ATOM 51 NZ LYS A 4 4.104 5.375 -9.685 1.00 0.00 N ATOM 52 H LYS A 4 1.656 2.877 -5.993 1.00 0.00 H ATOM 53 HA LYS A 4 4.423 1.682 -5.688 1.00 0.00 H ATOM 54 HB2 LYS A 4 3.569 4.216 -7.215 1.00 0.00 H ATOM 55 HB3 LYS A 4 5.188 3.532 -7.165 1.00 0.00 H ATOM 56 HG2 LYS A 4 4.180 1.356 -8.158 1.00 0.00 H ATOM 57 HG3 LYS A 4 2.704 2.247 -8.454 1.00 0.00 H ATOM 58 HD2 LYS A 4 5.488 2.981 -9.610 1.00 0.00 H ATOM 59 HD3 LYS A 4 4.272 2.024 -10.420 1.00 0.00 H ATOM 60 HE2 LYS A 4 4.097 4.170 -11.403 1.00 0.00 H ATOM 61 HE3 LYS A 4 2.661 4.000 -10.399 1.00 0.00 H ATOM 62 HZ1 LYS A 4 5.118 5.535 -9.671 1.00 0.00 H ATOM 63 HZ2 LYS A 4 3.675 6.180 -10.156 1.00 0.00 H ATOM 64 HZ3 LYS A 4 3.783 5.386 -8.711 1.00 0.00 H ATOM 65 N PHE A 5 5.313 3.204 -3.854 1.00 0.00 N ATOM 66 CA PHE A 5 5.730 3.932 -2.621 1.00 0.00 C ATOM 67 C PHE A 5 6.963 4.812 -2.999 1.00 0.00 C ATOM 68 O PHE A 5 6.829 5.691 -3.858 1.00 0.00 O ATOM 69 CB PHE A 5 5.882 2.939 -1.415 1.00 0.00 C ATOM 70 CG PHE A 5 4.753 1.922 -1.138 1.00 0.00 C ATOM 71 CD1 PHE A 5 3.423 2.336 -1.003 1.00 0.00 C ATOM 72 CD2 PHE A 5 5.054 0.556 -1.062 1.00 0.00 C ATOM 73 CE1 PHE A 5 2.411 1.399 -0.816 1.00 0.00 C ATOM 74 CE2 PHE A 5 4.039 -0.378 -0.885 1.00 0.00 C ATOM 75 CZ PHE A 5 2.719 0.041 -0.781 1.00 0.00 C ATOM 76 H PHE A 5 5.766 2.335 -4.155 1.00 0.00 H ATOM 77 HA PHE A 5 4.937 4.642 -2.313 1.00 0.00 H ATOM 78 HB2 PHE A 5 6.836 2.390 -1.535 1.00 0.00 H ATOM 79 HB3 PHE A 5 6.030 3.536 -0.496 1.00 0.00 H ATOM 80 HD1 PHE A 5 3.167 3.381 -1.085 1.00 0.00 H ATOM 81 HD2 PHE A 5 6.073 0.208 -1.157 1.00 0.00 H ATOM 82 HE1 PHE A 5 1.388 1.726 -0.712 1.00 0.00 H ATOM 83 HE2 PHE A 5 4.275 -1.429 -0.834 1.00 0.00 H ATOM 84 HZ PHE A 5 1.937 -0.694 -0.666 1.00 0.00 H ATOM 85 N LYS A 6 8.147 4.567 -2.400 1.00 0.00 N ATOM 86 CA LYS A 6 9.474 5.028 -2.898 1.00 0.00 C ATOM 87 C LYS A 6 9.603 6.565 -3.114 1.00 0.00 C ATOM 88 O LYS A 6 9.400 7.064 -4.227 1.00 0.00 O ATOM 89 CB LYS A 6 9.985 4.206 -4.123 1.00 0.00 C ATOM 90 CG LYS A 6 9.960 2.657 -4.054 1.00 0.00 C ATOM 91 CD LYS A 6 10.648 2.025 -2.822 1.00 0.00 C ATOM 92 CE LYS A 6 10.690 0.483 -2.792 1.00 0.00 C ATOM 93 NZ LYS A 6 9.355 -0.136 -2.670 1.00 0.00 N ATOM 94 H LYS A 6 8.096 3.826 -1.692 1.00 0.00 H ATOM 95 HA LYS A 6 10.178 4.768 -2.082 1.00 0.00 H ATOM 96 HB2 LYS A 6 9.421 4.507 -5.026 1.00 0.00 H ATOM 97 HB3 LYS A 6 11.022 4.526 -4.327 1.00 0.00 H ATOM 98 HG2 LYS A 6 8.910 2.312 -4.106 1.00 0.00 H ATOM 99 HG3 LYS A 6 10.433 2.263 -4.974 1.00 0.00 H ATOM 100 HD2 LYS A 6 11.683 2.403 -2.778 1.00 0.00 H ATOM 101 HD3 LYS A 6 10.172 2.389 -1.893 1.00 0.00 H ATOM 102 HE2 LYS A 6 11.195 0.093 -3.695 1.00 0.00 H ATOM 103 HE3 LYS A 6 11.308 0.151 -1.937 1.00 0.00 H ATOM 104 HZ1 LYS A 6 8.865 0.168 -1.823 1.00 0.00 H ATOM 105 HZ2 LYS A 6 8.759 0.108 -3.469 1.00 0.00 H ATOM 106 HZ3 LYS A 6 9.414 -1.160 -2.644 1.00 0.00 H ATOM 107 N TYR A 7 9.940 7.302 -2.041 1.00 0.00 N ATOM 108 CA TYR A 7 10.086 8.784 -2.096 1.00 0.00 C ATOM 109 C TYR A 7 11.485 9.229 -2.624 1.00 0.00 C ATOM 110 O TYR A 7 11.542 9.925 -3.642 1.00 0.00 O ATOM 111 CB TYR A 7 9.728 9.442 -0.729 1.00 0.00 C ATOM 112 CG TYR A 7 8.296 9.292 -0.152 1.00 0.00 C ATOM 113 CD1 TYR A 7 7.150 9.229 -0.964 1.00 0.00 C ATOM 114 CD2 TYR A 7 8.137 9.287 1.239 1.00 0.00 C ATOM 115 CE1 TYR A 7 5.884 9.143 -0.389 1.00 0.00 C ATOM 116 CE2 TYR A 7 6.871 9.212 1.809 1.00 0.00 C ATOM 117 CZ TYR A 7 5.742 9.137 0.993 1.00 0.00 C ATOM 118 OH TYR A 7 4.496 9.074 1.559 1.00 0.00 O ATOM 119 H TYR A 7 10.055 6.774 -1.170 1.00 0.00 H ATOM 120 HA TYR A 7 9.351 9.183 -2.821 1.00 0.00 H ATOM 121 HB2 TYR A 7 10.465 9.091 0.021 1.00 0.00 H ATOM 122 HB3 TYR A 7 9.930 10.528 -0.804 1.00 0.00 H ATOM 123 HD1 TYR A 7 7.230 9.251 -2.039 1.00 0.00 H ATOM 124 HD2 TYR A 7 8.997 9.355 1.893 1.00 0.00 H ATOM 125 HE1 TYR A 7 5.008 9.093 -1.025 1.00 0.00 H ATOM 126 HE2 TYR A 7 6.763 9.221 2.883 1.00 0.00 H ATOM 127 HH TYR A 7 3.836 9.079 0.862 1.00 0.00 H ATOM 128 N LYS A 8 12.589 8.858 -1.939 1.00 0.00 N ATOM 129 CA LYS A 8 13.942 9.420 -2.215 1.00 0.00 C ATOM 130 C LYS A 8 14.811 8.499 -3.126 1.00 0.00 C ATOM 131 O LYS A 8 15.189 8.930 -4.219 1.00 0.00 O ATOM 132 CB LYS A 8 14.680 9.788 -0.896 1.00 0.00 C ATOM 133 CG LYS A 8 14.009 10.862 -0.009 1.00 0.00 C ATOM 134 CD LYS A 8 14.826 11.143 1.266 1.00 0.00 C ATOM 135 CE LYS A 8 14.224 12.253 2.146 1.00 0.00 C ATOM 136 NZ LYS A 8 15.013 12.419 3.379 1.00 0.00 N ATOM 137 H LYS A 8 12.405 8.281 -1.110 1.00 0.00 H ATOM 138 HA LYS A 8 13.831 10.380 -2.758 1.00 0.00 H ATOM 139 HB2 LYS A 8 14.852 8.872 -0.297 1.00 0.00 H ATOM 140 HB3 LYS A 8 15.692 10.155 -1.155 1.00 0.00 H ATOM 141 HG2 LYS A 8 13.881 11.795 -0.591 1.00 0.00 H ATOM 142 HG3 LYS A 8 12.989 10.538 0.273 1.00 0.00 H ATOM 143 HD2 LYS A 8 14.913 10.206 1.851 1.00 0.00 H ATOM 144 HD3 LYS A 8 15.860 11.421 0.985 1.00 0.00 H ATOM 145 HE2 LYS A 8 14.202 13.211 1.596 1.00 0.00 H ATOM 146 HE3 LYS A 8 13.176 12.021 2.411 1.00 0.00 H ATOM 147 HZ1 LYS A 8 16.004 12.583 3.170 1.00 0.00 H ATOM 148 HZ2 LYS A 8 14.682 13.209 3.944 1.00 0.00 H ATOM 149 HZ3 LYS A 8 14.966 11.580 3.968 1.00 0.00 H ATOM 150 N GLY A 9 15.169 7.280 -2.668 1.00 0.00 N ATOM 151 CA GLY A 9 16.269 6.487 -3.270 1.00 0.00 C ATOM 152 C GLY A 9 15.837 5.260 -4.092 1.00 0.00 C ATOM 153 O GLY A 9 16.036 5.238 -5.310 1.00 0.00 O ATOM 154 H GLY A 9 14.767 7.033 -1.757 1.00 0.00 H ATOM 155 HA2 GLY A 9 16.930 7.123 -3.891 1.00 0.00 H ATOM 156 HA3 GLY A 9 16.932 6.150 -2.451 1.00 0.00 H ATOM 157 N GLU A 10 15.307 4.227 -3.409 1.00 0.00 N ATOM 158 CA GLU A 10 15.130 2.863 -3.981 1.00 0.00 C ATOM 159 C GLU A 10 14.120 2.800 -5.173 1.00 0.00 C ATOM 160 O GLU A 10 13.086 3.471 -5.180 1.00 0.00 O ATOM 161 CB GLU A 10 14.768 1.923 -2.790 1.00 0.00 C ATOM 162 CG GLU A 10 14.693 0.404 -3.064 1.00 0.00 C ATOM 163 CD GLU A 10 16.031 -0.216 -3.485 1.00 0.00 C ATOM 164 OE1 GLU A 10 16.909 -0.544 -2.689 1.00 0.00 O ATOM 165 OE2 GLU A 10 16.136 -0.344 -4.845 1.00 0.00 O ATOM 166 H GLU A 10 15.204 4.396 -2.402 1.00 0.00 H ATOM 167 HA GLU A 10 16.132 2.545 -4.338 1.00 0.00 H ATOM 168 HB2 GLU A 10 15.496 2.069 -1.968 1.00 0.00 H ATOM 169 HB3 GLU A 10 13.806 2.240 -2.350 1.00 0.00 H ATOM 170 HG2 GLU A 10 14.351 -0.106 -2.144 1.00 0.00 H ATOM 171 HG3 GLU A 10 13.911 0.186 -3.816 1.00 0.00 H ATOM 172 HE2 GLU A 10 15.327 -0.083 -5.292 1.00 0.00 H ATOM 173 N GLU A 11 14.476 1.999 -6.191 1.00 0.00 N ATOM 174 CA GLU A 11 13.749 1.928 -7.492 1.00 0.00 C ATOM 175 C GLU A 11 12.378 1.177 -7.500 1.00 0.00 C ATOM 176 O GLU A 11 11.499 1.559 -8.279 1.00 0.00 O ATOM 177 CB GLU A 11 14.744 1.306 -8.521 1.00 0.00 C ATOM 178 CG GLU A 11 14.326 1.279 -10.011 1.00 0.00 C ATOM 179 CD GLU A 11 14.203 2.658 -10.669 1.00 0.00 C ATOM 180 OE1 GLU A 11 15.173 3.335 -11.008 1.00 0.00 O ATOM 181 OE2 GLU A 11 12.896 3.039 -10.837 1.00 0.00 O ATOM 182 H GLU A 11 15.359 1.497 -6.046 1.00 0.00 H ATOM 183 HA GLU A 11 13.554 2.969 -7.816 1.00 0.00 H ATOM 184 HB2 GLU A 11 15.723 1.821 -8.462 1.00 0.00 H ATOM 185 HB3 GLU A 11 14.964 0.263 -8.220 1.00 0.00 H ATOM 186 HG2 GLU A 11 15.075 0.696 -10.578 1.00 0.00 H ATOM 187 HG3 GLU A 11 13.385 0.709 -10.134 1.00 0.00 H ATOM 188 HE2 GLU A 11 12.282 2.371 -10.524 1.00 0.00 H ATOM 189 N LYS A 12 12.219 0.087 -6.722 1.00 0.00 N ATOM 190 CA LYS A 12 11.248 -0.997 -7.030 1.00 0.00 C ATOM 191 C LYS A 12 9.764 -0.579 -6.803 1.00 0.00 C ATOM 192 O LYS A 12 9.382 -0.164 -5.707 1.00 0.00 O ATOM 193 CB LYS A 12 11.587 -2.264 -6.187 1.00 0.00 C ATOM 194 CG LYS A 12 12.865 -3.058 -6.564 1.00 0.00 C ATOM 195 CD LYS A 12 14.199 -2.482 -6.035 1.00 0.00 C ATOM 196 CE LYS A 12 15.470 -3.269 -6.410 1.00 0.00 C ATOM 197 NZ LYS A 12 15.558 -4.596 -5.773 1.00 0.00 N ATOM 198 H LYS A 12 13.016 -0.092 -6.102 1.00 0.00 H ATOM 199 HA LYS A 12 11.391 -1.279 -8.094 1.00 0.00 H ATOM 200 HB2 LYS A 12 11.601 -2.021 -5.106 1.00 0.00 H ATOM 201 HB3 LYS A 12 10.748 -2.977 -6.291 1.00 0.00 H ATOM 202 HG2 LYS A 12 12.754 -4.083 -6.162 1.00 0.00 H ATOM 203 HG3 LYS A 12 12.915 -3.185 -7.661 1.00 0.00 H ATOM 204 HD2 LYS A 12 14.332 -1.460 -6.429 1.00 0.00 H ATOM 205 HD3 LYS A 12 14.147 -2.357 -4.936 1.00 0.00 H ATOM 206 HE2 LYS A 12 15.546 -3.378 -7.508 1.00 0.00 H ATOM 207 HE3 LYS A 12 16.359 -2.685 -6.108 1.00 0.00 H ATOM 208 HZ1 LYS A 12 15.530 -4.529 -4.749 1.00 0.00 H ATOM 209 HZ2 LYS A 12 14.784 -5.205 -6.061 1.00 0.00 H ATOM 210 HZ3 LYS A 12 16.431 -5.074 -6.023 1.00 0.00 H ATOM 211 N GLN A 13 8.930 -0.734 -7.847 1.00 0.00 N ATOM 212 CA GLN A 13 7.457 -0.532 -7.752 1.00 0.00 C ATOM 213 C GLN A 13 6.741 -1.775 -7.140 1.00 0.00 C ATOM 214 O GLN A 13 7.044 -2.916 -7.508 1.00 0.00 O ATOM 215 CB GLN A 13 6.868 -0.136 -9.134 1.00 0.00 C ATOM 216 CG GLN A 13 6.988 -1.154 -10.296 1.00 0.00 C ATOM 217 CD GLN A 13 6.370 -0.639 -11.606 1.00 0.00 C ATOM 218 OE1 GLN A 13 5.163 -0.731 -11.823 1.00 0.00 O ATOM 219 NE2 GLN A 13 7.183 -0.093 -12.499 1.00 0.00 N ATOM 220 H GLN A 13 9.375 -1.068 -8.710 1.00 0.00 H ATOM 221 HA GLN A 13 7.278 0.347 -7.097 1.00 0.00 H ATOM 222 HB2 GLN A 13 5.797 0.093 -8.994 1.00 0.00 H ATOM 223 HB3 GLN A 13 7.317 0.827 -9.447 1.00 0.00 H ATOM 224 HG2 GLN A 13 8.047 -1.442 -10.446 1.00 0.00 H ATOM 225 HG3 GLN A 13 6.474 -2.094 -10.019 1.00 0.00 H ATOM 226 HE21 GLN A 13 8.179 -0.065 -12.256 1.00 0.00 H ATOM 227 HE22 GLN A 13 6.753 0.235 -13.371 1.00 0.00 H ATOM 228 N VAL A 14 5.789 -1.535 -6.217 1.00 0.00 N ATOM 229 CA VAL A 14 5.038 -2.624 -5.522 1.00 0.00 C ATOM 230 C VAL A 14 3.623 -2.724 -6.175 1.00 0.00 C ATOM 231 O VAL A 14 2.890 -1.735 -6.295 1.00 0.00 O ATOM 232 CB VAL A 14 4.996 -2.414 -3.968 1.00 0.00 C ATOM 233 CG1 VAL A 14 4.192 -3.511 -3.224 1.00 0.00 C ATOM 234 CG2 VAL A 14 6.405 -2.360 -3.328 1.00 0.00 C ATOM 235 H VAL A 14 5.637 -0.544 -5.999 1.00 0.00 H ATOM 236 HA VAL A 14 5.574 -3.586 -5.676 1.00 0.00 H ATOM 237 HB VAL A 14 4.504 -1.445 -3.760 1.00 0.00 H ATOM 238 HG11 VAL A 14 4.594 -4.523 -3.417 1.00 0.00 H ATOM 239 HG12 VAL A 14 4.196 -3.361 -2.130 1.00 0.00 H ATOM 240 HG13 VAL A 14 3.129 -3.517 -3.528 1.00 0.00 H ATOM 241 HG21 VAL A 14 7.014 -1.538 -3.745 1.00 0.00 H ATOM 242 HG22 VAL A 14 6.356 -2.182 -2.239 1.00 0.00 H ATOM 243 HG23 VAL A 14 6.972 -3.297 -3.482 1.00 0.00 H ATOM 244 N ASP A 15 3.250 -3.962 -6.547 1.00 0.00 N ATOM 245 CA ASP A 15 1.935 -4.278 -7.169 1.00 0.00 C ATOM 246 C ASP A 15 0.782 -4.345 -6.122 1.00 0.00 C ATOM 247 O ASP A 15 0.979 -4.700 -4.953 1.00 0.00 O ATOM 248 CB ASP A 15 2.031 -5.621 -7.948 1.00 0.00 C ATOM 249 CG ASP A 15 2.938 -5.588 -9.188 1.00 0.00 C ATOM 250 OD1 ASP A 15 2.486 -5.113 -10.253 1.00 0.00 O ATOM 251 OD2 ASP A 15 4.106 -6.025 -9.096 1.00 0.00 O ATOM 252 H ASP A 15 3.968 -4.684 -6.408 1.00 0.00 H ATOM 253 HA ASP A 15 1.704 -3.486 -7.910 1.00 0.00 H ATOM 254 HB2 ASP A 15 2.351 -6.440 -7.274 1.00 0.00 H ATOM 255 HB3 ASP A 15 1.024 -5.928 -8.291 1.00 0.00 H ATOM 256 N ILE A 16 -0.442 -4.040 -6.596 1.00 0.00 N ATOM 257 CA ILE A 16 -1.699 -4.149 -5.787 1.00 0.00 C ATOM 258 C ILE A 16 -2.169 -5.608 -5.422 1.00 0.00 C ATOM 259 O ILE A 16 -3.024 -5.752 -4.546 1.00 0.00 O ATOM 260 CB ILE A 16 -2.808 -3.240 -6.445 1.00 0.00 C ATOM 261 CG1 ILE A 16 -3.599 -2.329 -5.463 1.00 0.00 C ATOM 262 CG2 ILE A 16 -3.733 -3.928 -7.479 1.00 0.00 C ATOM 263 CD1 ILE A 16 -4.468 -3.002 -4.389 1.00 0.00 C ATOM 264 H ILE A 16 -0.464 -3.777 -7.587 1.00 0.00 H ATOM 265 HA ILE A 16 -1.458 -3.680 -4.813 1.00 0.00 H ATOM 266 HB ILE A 16 -2.286 -2.496 -7.063 1.00 0.00 H ATOM 267 HG12 ILE A 16 -2.883 -1.664 -4.946 1.00 0.00 H ATOM 268 HG13 ILE A 16 -4.235 -1.639 -6.047 1.00 0.00 H ATOM 269 HG21 ILE A 16 -3.147 -4.500 -8.223 1.00 0.00 H ATOM 270 HG22 ILE A 16 -4.438 -4.634 -7.007 1.00 0.00 H ATOM 271 HG23 ILE A 16 -4.338 -3.192 -8.042 1.00 0.00 H ATOM 272 HD11 ILE A 16 -5.174 -3.732 -4.823 1.00 0.00 H ATOM 273 HD12 ILE A 16 -3.850 -3.529 -3.639 1.00 0.00 H ATOM 274 HD13 ILE A 16 -5.067 -2.252 -3.841 1.00 0.00 H ATOM 275 N SER A 17 -1.633 -6.677 -6.050 1.00 0.00 N ATOM 276 CA SER A 17 -1.914 -8.085 -5.655 1.00 0.00 C ATOM 277 C SER A 17 -1.300 -8.516 -4.285 1.00 0.00 C ATOM 278 O SER A 17 -2.032 -9.054 -3.450 1.00 0.00 O ATOM 279 CB SER A 17 -1.534 -9.039 -6.813 1.00 0.00 C ATOM 280 OG SER A 17 -0.136 -9.038 -7.092 1.00 0.00 O ATOM 281 H SER A 17 -0.934 -6.447 -6.765 1.00 0.00 H ATOM 282 HA SER A 17 -3.014 -8.180 -5.555 1.00 0.00 H ATOM 283 HB2 SER A 17 -1.852 -10.071 -6.579 1.00 0.00 H ATOM 284 HB3 SER A 17 -2.086 -8.769 -7.733 1.00 0.00 H ATOM 285 HG SER A 17 0.080 -8.141 -7.353 1.00 0.00 H ATOM 286 N LYS A 18 0.013 -8.288 -4.052 1.00 0.00 N ATOM 287 CA LYS A 18 0.725 -8.764 -2.833 1.00 0.00 C ATOM 288 C LYS A 18 0.634 -7.695 -1.714 1.00 0.00 C ATOM 289 O LYS A 18 1.322 -6.671 -1.771 1.00 0.00 O ATOM 290 CB LYS A 18 2.205 -9.099 -3.180 1.00 0.00 C ATOM 291 CG LYS A 18 2.434 -10.304 -4.122 1.00 0.00 C ATOM 292 CD LYS A 18 2.112 -11.673 -3.479 1.00 0.00 C ATOM 293 CE LYS A 18 2.085 -12.857 -4.462 1.00 0.00 C ATOM 294 NZ LYS A 18 3.424 -13.324 -4.863 1.00 0.00 N ATOM 295 H LYS A 18 0.507 -7.808 -4.812 1.00 0.00 H ATOM 296 HA LYS A 18 0.253 -9.701 -2.473 1.00 0.00 H ATOM 297 HB2 LYS A 18 2.692 -8.210 -3.625 1.00 0.00 H ATOM 298 HB3 LYS A 18 2.765 -9.274 -2.245 1.00 0.00 H ATOM 299 HG2 LYS A 18 1.840 -10.164 -5.045 1.00 0.00 H ATOM 300 HG3 LYS A 18 3.488 -10.299 -4.458 1.00 0.00 H ATOM 301 HD2 LYS A 18 2.811 -11.872 -2.643 1.00 0.00 H ATOM 302 HD3 LYS A 18 1.114 -11.626 -3.008 1.00 0.00 H ATOM 303 HE2 LYS A 18 1.551 -13.701 -3.989 1.00 0.00 H ATOM 304 HE3 LYS A 18 1.496 -12.599 -5.363 1.00 0.00 H ATOM 305 HZ1 LYS A 18 3.992 -13.588 -4.051 1.00 0.00 H ATOM 306 HZ2 LYS A 18 3.362 -14.151 -5.468 1.00 0.00 H ATOM 307 HZ3 LYS A 18 3.942 -12.605 -5.380 1.00 0.00 H ATOM 308 N ILE A 19 -0.271 -7.925 -0.744 1.00 0.00 N ATOM 309 CA ILE A 19 -0.717 -6.882 0.223 1.00 0.00 C ATOM 310 C ILE A 19 -1.024 -7.616 1.566 1.00 0.00 C ATOM 311 O ILE A 19 -1.935 -8.450 1.627 1.00 0.00 O ATOM 312 CB ILE A 19 -1.954 -6.071 -0.328 1.00 0.00 C ATOM 313 CG1 ILE A 19 -1.712 -5.300 -1.661 1.00 0.00 C ATOM 314 CG2 ILE A 19 -2.575 -5.106 0.708 1.00 0.00 C ATOM 315 CD1 ILE A 19 -0.687 -4.155 -1.646 1.00 0.00 C ATOM 316 H ILE A 19 -0.768 -8.818 -0.833 1.00 0.00 H ATOM 317 HA ILE A 19 0.105 -6.158 0.392 1.00 0.00 H ATOM 318 HB ILE A 19 -2.749 -6.806 -0.556 1.00 0.00 H ATOM 319 HG12 ILE A 19 -1.412 -6.019 -2.444 1.00 0.00 H ATOM 320 HG13 ILE A 19 -2.672 -4.896 -2.033 1.00 0.00 H ATOM 321 HG21 ILE A 19 -1.822 -4.411 1.124 1.00 0.00 H ATOM 322 HG22 ILE A 19 -3.390 -4.497 0.275 1.00 0.00 H ATOM 323 HG23 ILE A 19 -3.021 -5.653 1.558 1.00 0.00 H ATOM 324 HD11 ILE A 19 0.243 -4.418 -1.113 1.00 0.00 H ATOM 325 HD12 ILE A 19 -0.397 -3.873 -2.673 1.00 0.00 H ATOM 326 HD13 ILE A 19 -1.102 -3.253 -1.164 1.00 0.00 H ATOM 327 N LYS A 20 -0.320 -7.236 2.653 1.00 0.00 N ATOM 328 CA LYS A 20 -0.706 -7.625 4.045 1.00 0.00 C ATOM 329 C LYS A 20 -1.848 -6.795 4.724 1.00 0.00 C ATOM 330 O LYS A 20 -2.448 -7.317 5.669 1.00 0.00 O ATOM 331 CB LYS A 20 0.547 -7.715 4.971 1.00 0.00 C ATOM 332 CG LYS A 20 1.112 -9.139 5.172 1.00 0.00 C ATOM 333 CD LYS A 20 0.201 -10.084 5.987 1.00 0.00 C ATOM 334 CE LYS A 20 0.881 -11.410 6.368 1.00 0.00 C ATOM 335 NZ LYS A 20 -0.011 -12.234 7.203 1.00 0.00 N ATOM 336 H LYS A 20 0.405 -6.534 2.469 1.00 0.00 H ATOM 337 HA LYS A 20 -1.130 -8.645 3.982 1.00 0.00 H ATOM 338 HB2 LYS A 20 1.358 -7.060 4.602 1.00 0.00 H ATOM 339 HB3 LYS A 20 0.333 -7.305 5.979 1.00 0.00 H ATOM 340 HG2 LYS A 20 1.354 -9.587 4.193 1.00 0.00 H ATOM 341 HG3 LYS A 20 2.076 -9.049 5.698 1.00 0.00 H ATOM 342 HD2 LYS A 20 -0.124 -9.561 6.907 1.00 0.00 H ATOM 343 HD3 LYS A 20 -0.724 -10.296 5.419 1.00 0.00 H ATOM 344 HE2 LYS A 20 1.165 -11.981 5.465 1.00 0.00 H ATOM 345 HE3 LYS A 20 1.818 -11.217 6.922 1.00 0.00 H ATOM 346 HZ1 LYS A 20 -0.384 -11.695 7.992 1.00 0.00 H ATOM 347 HZ2 LYS A 20 -0.814 -12.583 6.669 1.00 0.00 H ATOM 348 HZ3 LYS A 20 0.478 -13.048 7.593 1.00 0.00 H ATOM 349 N LYS A 21 -2.166 -5.559 4.272 1.00 0.00 N ATOM 350 CA LYS A 21 -3.376 -4.788 4.679 1.00 0.00 C ATOM 351 C LYS A 21 -3.189 -4.084 6.054 1.00 0.00 C ATOM 352 O LYS A 21 -3.245 -4.733 7.104 1.00 0.00 O ATOM 353 CB LYS A 21 -4.718 -5.581 4.546 1.00 0.00 C ATOM 354 CG LYS A 21 -6.039 -4.775 4.513 1.00 0.00 C ATOM 355 CD LYS A 21 -6.577 -4.305 5.885 1.00 0.00 C ATOM 356 CE LYS A 21 -7.967 -3.639 5.857 1.00 0.00 C ATOM 357 NZ LYS A 21 -9.056 -4.582 5.535 1.00 0.00 N ATOM 358 H LYS A 21 -1.592 -5.254 3.478 1.00 0.00 H ATOM 359 HA LYS A 21 -3.449 -4.008 3.899 1.00 0.00 H ATOM 360 HB2 LYS A 21 -4.680 -6.149 3.595 1.00 0.00 H ATOM 361 HB3 LYS A 21 -4.787 -6.364 5.325 1.00 0.00 H ATOM 362 HG2 LYS A 21 -5.935 -3.914 3.830 1.00 0.00 H ATOM 363 HG3 LYS A 21 -6.805 -5.421 4.042 1.00 0.00 H ATOM 364 HD2 LYS A 21 -6.587 -5.149 6.601 1.00 0.00 H ATOM 365 HD3 LYS A 21 -5.872 -3.573 6.317 1.00 0.00 H ATOM 366 HE2 LYS A 21 -8.172 -3.198 6.849 1.00 0.00 H ATOM 367 HE3 LYS A 21 -7.984 -2.792 5.145 1.00 0.00 H ATOM 368 HZ1 LYS A 21 -8.959 -5.458 6.060 1.00 0.00 H ATOM 369 HZ2 LYS A 21 -9.979 -4.194 5.759 1.00 0.00 H ATOM 370 HZ3 LYS A 21 -9.060 -4.828 4.538 1.00 0.00 H ATOM 371 N VAL A 22 -3.044 -2.746 6.032 1.00 0.00 N ATOM 372 CA VAL A 22 -3.318 -1.870 7.210 1.00 0.00 C ATOM 373 C VAL A 22 -4.283 -0.775 6.652 1.00 0.00 C ATOM 374 O VAL A 22 -5.503 -0.932 6.769 1.00 0.00 O ATOM 375 CB VAL A 22 -2.014 -1.385 7.946 1.00 0.00 C ATOM 376 CG1 VAL A 22 -2.289 -0.350 9.065 1.00 0.00 C ATOM 377 CG2 VAL A 22 -1.199 -2.540 8.575 1.00 0.00 C ATOM 378 H VAL A 22 -2.975 -2.349 5.088 1.00 0.00 H ATOM 379 HA VAL A 22 -3.915 -2.431 7.958 1.00 0.00 H ATOM 380 HB VAL A 22 -1.362 -0.892 7.201 1.00 0.00 H ATOM 381 HG11 VAL A 22 -2.775 0.565 8.678 1.00 0.00 H ATOM 382 HG12 VAL A 22 -2.946 -0.758 9.855 1.00 0.00 H ATOM 383 HG13 VAL A 22 -1.354 -0.017 9.555 1.00 0.00 H ATOM 384 HG21 VAL A 22 -0.917 -3.303 7.830 1.00 0.00 H ATOM 385 HG22 VAL A 22 -0.255 -2.178 9.026 1.00 0.00 H ATOM 386 HG23 VAL A 22 -1.765 -3.059 9.371 1.00 0.00 H ATOM 387 N TRP A 23 -3.750 0.295 6.021 1.00 0.00 N ATOM 388 CA TRP A 23 -4.535 1.275 5.204 1.00 0.00 C ATOM 389 C TRP A 23 -5.657 2.092 5.940 1.00 0.00 C ATOM 390 O TRP A 23 -6.734 2.313 5.374 1.00 0.00 O ATOM 391 CB TRP A 23 -5.057 0.661 3.861 1.00 0.00 C ATOM 392 CG TRP A 23 -4.132 -0.226 3.011 1.00 0.00 C ATOM 393 CD1 TRP A 23 -4.481 -1.514 2.558 1.00 0.00 C ATOM 394 CD2 TRP A 23 -2.848 -0.006 2.537 1.00 0.00 C ATOM 395 NE1 TRP A 23 -3.450 -2.110 1.821 1.00 0.00 N ATOM 396 CE2 TRP A 23 -2.441 -1.166 1.830 1.00 0.00 C ATOM 397 CE3 TRP A 23 -1.956 1.086 2.696 1.00 0.00 C ATOM 398 CZ2 TRP A 23 -1.130 -1.258 1.306 1.00 0.00 C ATOM 399 CZ3 TRP A 23 -0.672 0.972 2.163 1.00 0.00 C ATOM 400 CH2 TRP A 23 -0.264 -0.182 1.491 1.00 0.00 C ATOM 401 H TRP A 23 -2.726 0.283 5.986 1.00 0.00 H ATOM 402 HA TRP A 23 -3.798 2.040 4.906 1.00 0.00 H ATOM 403 HB2 TRP A 23 -5.977 0.083 4.084 1.00 0.00 H ATOM 404 HB3 TRP A 23 -5.406 1.483 3.212 1.00 0.00 H ATOM 405 HD1 TRP A 23 -5.428 -1.994 2.757 1.00 0.00 H ATOM 406 HE1 TRP A 23 -3.423 -3.056 1.421 1.00 0.00 H ATOM 407 HE3 TRP A 23 -2.240 1.972 3.241 1.00 0.00 H ATOM 408 HZ2 TRP A 23 -0.790 -2.149 0.803 1.00 0.00 H ATOM 409 HZ3 TRP A 23 0.040 1.769 2.319 1.00 0.00 H ATOM 410 HH2 TRP A 23 0.754 -0.257 1.149 1.00 0.00 H ATOM 411 N ARG A 24 -5.419 2.562 7.182 1.00 0.00 N ATOM 412 CA ARG A 24 -6.425 3.354 7.947 1.00 0.00 C ATOM 413 C ARG A 24 -5.724 4.458 8.782 1.00 0.00 C ATOM 414 O ARG A 24 -5.881 5.638 8.459 1.00 0.00 O ATOM 415 CB ARG A 24 -7.403 2.496 8.813 1.00 0.00 C ATOM 416 CG ARG A 24 -8.368 1.552 8.055 1.00 0.00 C ATOM 417 CD ARG A 24 -9.494 0.929 8.916 1.00 0.00 C ATOM 418 NE ARG A 24 -10.516 1.894 9.409 1.00 0.00 N ATOM 419 CZ ARG A 24 -11.503 2.424 8.659 1.00 0.00 C ATOM 420 NH1 ARG A 24 -11.694 2.141 7.371 1.00 0.00 N ATOM 421 NH2 ARG A 24 -12.330 3.275 9.237 1.00 0.00 N ATOM 422 H ARG A 24 -4.487 2.355 7.557 1.00 0.00 H ATOM 423 HA ARG A 24 -7.064 3.911 7.231 1.00 0.00 H ATOM 424 HB2 ARG A 24 -6.836 1.907 9.557 1.00 0.00 H ATOM 425 HB3 ARG A 24 -8.014 3.196 9.413 1.00 0.00 H ATOM 426 HG2 ARG A 24 -8.810 2.089 7.195 1.00 0.00 H ATOM 427 HG3 ARG A 24 -7.779 0.731 7.608 1.00 0.00 H ATOM 428 HD2 ARG A 24 -9.992 0.122 8.346 1.00 0.00 H ATOM 429 HD3 ARG A 24 -9.052 0.413 9.788 1.00 0.00 H ATOM 430 HE ARG A 24 -10.539 2.190 10.391 1.00 0.00 H ATOM 431 HH11 ARG A 24 -11.042 1.469 6.951 1.00 0.00 H ATOM 432 HH12 ARG A 24 -12.485 2.603 6.912 1.00 0.00 H ATOM 433 HH21 ARG A 24 -12.167 3.471 10.232 1.00 0.00 H ATOM 434 HH22 ARG A 24 -13.066 3.675 8.648 1.00 0.00 H ATOM 435 N VAL A 25 -5.026 4.103 9.887 1.00 0.00 N ATOM 436 CA VAL A 25 -4.908 5.000 11.071 1.00 0.00 C ATOM 437 C VAL A 25 -3.978 6.237 10.842 1.00 0.00 C ATOM 438 O VAL A 25 -2.789 6.103 10.529 1.00 0.00 O ATOM 439 CB VAL A 25 -4.578 4.163 12.358 1.00 0.00 C ATOM 440 CG1 VAL A 25 -3.165 3.531 12.405 1.00 0.00 C ATOM 441 CG2 VAL A 25 -4.846 4.950 13.664 1.00 0.00 C ATOM 442 H VAL A 25 -4.949 3.088 10.005 1.00 0.00 H ATOM 443 HA VAL A 25 -5.943 5.366 11.251 1.00 0.00 H ATOM 444 HB VAL A 25 -5.290 3.315 12.383 1.00 0.00 H ATOM 445 HG11 VAL A 25 -2.934 2.968 11.484 1.00 0.00 H ATOM 446 HG12 VAL A 25 -2.373 4.291 12.528 1.00 0.00 H ATOM 447 HG13 VAL A 25 -3.062 2.818 13.244 1.00 0.00 H ATOM 448 HG21 VAL A 25 -5.864 5.386 13.671 1.00 0.00 H ATOM 449 HG22 VAL A 25 -4.773 4.303 14.559 1.00 0.00 H ATOM 450 HG23 VAL A 25 -4.134 5.787 13.802 1.00 0.00 H ATOM 451 N GLY A 26 -4.562 7.429 11.052 1.00 0.00 N ATOM 452 CA GLY A 26 -3.793 8.673 11.244 1.00 0.00 C ATOM 453 C GLY A 26 -3.242 9.349 9.973 1.00 0.00 C ATOM 454 O GLY A 26 -3.686 9.112 8.843 1.00 0.00 O ATOM 455 H GLY A 26 -5.557 7.375 11.293 1.00 0.00 H ATOM 456 HA2 GLY A 26 -4.455 9.395 11.760 1.00 0.00 H ATOM 457 HA3 GLY A 26 -2.976 8.473 11.967 1.00 0.00 H ATOM 458 N LYS A 27 -2.245 10.207 10.220 1.00 0.00 N ATOM 459 CA LYS A 27 -1.487 10.931 9.160 1.00 0.00 C ATOM 460 C LYS A 27 -0.422 10.015 8.476 1.00 0.00 C ATOM 461 O LYS A 27 -0.429 9.898 7.246 1.00 0.00 O ATOM 462 CB LYS A 27 -0.863 12.227 9.751 1.00 0.00 C ATOM 463 CG LYS A 27 -1.875 13.284 10.265 1.00 0.00 C ATOM 464 CD LYS A 27 -1.249 14.531 10.931 1.00 0.00 C ATOM 465 CE LYS A 27 -0.488 14.308 12.258 1.00 0.00 C ATOM 466 NZ LYS A 27 -1.339 13.836 13.369 1.00 0.00 N ATOM 467 H LYS A 27 -1.996 10.298 11.212 1.00 0.00 H ATOM 468 HA LYS A 27 -2.194 11.255 8.370 1.00 0.00 H ATOM 469 HB2 LYS A 27 -0.168 11.951 10.566 1.00 0.00 H ATOM 470 HB3 LYS A 27 -0.227 12.706 8.982 1.00 0.00 H ATOM 471 HG2 LYS A 27 -2.506 13.614 9.419 1.00 0.00 H ATOM 472 HG3 LYS A 27 -2.580 12.824 10.981 1.00 0.00 H ATOM 473 HD2 LYS A 27 -0.563 15.010 10.209 1.00 0.00 H ATOM 474 HD3 LYS A 27 -2.045 15.281 11.098 1.00 0.00 H ATOM 475 HE2 LYS A 27 0.347 13.600 12.114 1.00 0.00 H ATOM 476 HE3 LYS A 27 -0.012 15.258 12.565 1.00 0.00 H ATOM 477 HZ1 LYS A 27 -1.803 12.949 13.141 1.00 0.00 H ATOM 478 HZ2 LYS A 27 -0.788 13.678 14.221 1.00 0.00 H ATOM 479 HZ3 LYS A 27 -2.073 14.515 13.604 1.00 0.00 H ATOM 480 N MET A 28 0.454 9.350 9.265 1.00 0.00 N ATOM 481 CA MET A 28 1.394 8.315 8.762 1.00 0.00 C ATOM 482 C MET A 28 0.639 6.963 8.624 1.00 0.00 C ATOM 483 O MET A 28 0.241 6.348 9.620 1.00 0.00 O ATOM 484 CB MET A 28 2.601 8.165 9.727 1.00 0.00 C ATOM 485 CG MET A 28 3.559 9.366 9.779 1.00 0.00 C ATOM 486 SD MET A 28 4.889 9.002 10.943 1.00 0.00 S ATOM 487 CE MET A 28 5.656 10.626 11.079 1.00 0.00 C ATOM 488 H MET A 28 0.337 9.531 10.268 1.00 0.00 H ATOM 489 HA MET A 28 1.800 8.633 7.779 1.00 0.00 H ATOM 490 HB2 MET A 28 2.249 7.947 10.754 1.00 0.00 H ATOM 491 HB3 MET A 28 3.195 7.280 9.432 1.00 0.00 H ATOM 492 HG2 MET A 28 3.987 9.576 8.781 1.00 0.00 H ATOM 493 HG3 MET A 28 3.024 10.279 10.100 1.00 0.00 H ATOM 494 HE1 MET A 28 5.939 11.012 10.085 1.00 0.00 H ATOM 495 HE2 MET A 28 4.964 11.348 11.547 1.00 0.00 H ATOM 496 HE3 MET A 28 6.565 10.570 11.702 1.00 0.00 H ATOM 497 N ILE A 29 0.437 6.536 7.366 1.00 0.00 N ATOM 498 CA ILE A 29 -0.343 5.312 7.035 1.00 0.00 C ATOM 499 C ILE A 29 0.719 4.242 6.637 1.00 0.00 C ATOM 500 O ILE A 29 1.416 4.373 5.621 1.00 0.00 O ATOM 501 CB ILE A 29 -1.444 5.613 5.956 1.00 0.00 C ATOM 502 CG1 ILE A 29 -2.501 6.647 6.462 1.00 0.00 C ATOM 503 CG2 ILE A 29 -2.159 4.319 5.490 1.00 0.00 C ATOM 504 CD1 ILE A 29 -3.395 7.269 5.381 1.00 0.00 C ATOM 505 H ILE A 29 0.833 7.140 6.638 1.00 0.00 H ATOM 506 HA ILE A 29 -0.901 4.963 7.931 1.00 0.00 H ATOM 507 HB ILE A 29 -0.941 6.048 5.074 1.00 0.00 H ATOM 508 HG12 ILE A 29 -3.131 6.195 7.253 1.00 0.00 H ATOM 509 HG13 ILE A 29 -1.996 7.493 6.962 1.00 0.00 H ATOM 510 HG21 ILE A 29 -2.611 3.776 6.339 1.00 0.00 H ATOM 511 HG22 ILE A 29 -2.965 4.512 4.760 1.00 0.00 H ATOM 512 HG23 ILE A 29 -1.461 3.621 4.992 1.00 0.00 H ATOM 513 HD11 ILE A 29 -2.796 7.745 4.583 1.00 0.00 H ATOM 514 HD12 ILE A 29 -4.056 6.521 4.908 1.00 0.00 H ATOM 515 HD13 ILE A 29 -4.043 8.051 5.817 1.00 0.00 H ATOM 516 N SER A 30 0.819 3.189 7.470 1.00 0.00 N ATOM 517 CA SER A 30 1.859 2.137 7.340 1.00 0.00 C ATOM 518 C SER A 30 1.635 1.243 6.089 1.00 0.00 C ATOM 519 O SER A 30 0.571 0.633 5.929 1.00 0.00 O ATOM 520 CB SER A 30 1.863 1.298 8.639 1.00 0.00 C ATOM 521 OG SER A 30 2.957 0.386 8.653 1.00 0.00 O ATOM 522 H SER A 30 0.193 3.235 8.284 1.00 0.00 H ATOM 523 HA SER A 30 2.845 2.644 7.289 1.00 0.00 H ATOM 524 HB2 SER A 30 1.944 1.948 9.530 1.00 0.00 H ATOM 525 HB3 SER A 30 0.916 0.736 8.758 1.00 0.00 H ATOM 526 HG SER A 30 2.855 -0.167 7.875 1.00 0.00 H ATOM 527 N ALA A 31 2.657 1.189 5.213 1.00 0.00 N ATOM 528 CA ALA A 31 2.610 0.373 3.979 1.00 0.00 C ATOM 529 C ALA A 31 3.144 -1.050 4.256 1.00 0.00 C ATOM 530 O ALA A 31 4.299 -1.229 4.656 1.00 0.00 O ATOM 531 CB ALA A 31 3.398 1.054 2.849 1.00 0.00 C ATOM 532 H ALA A 31 3.495 1.712 5.490 1.00 0.00 H ATOM 533 HA ALA A 31 1.564 0.328 3.626 1.00 0.00 H ATOM 534 HB1 ALA A 31 3.056 2.089 2.660 1.00 0.00 H ATOM 535 HB2 ALA A 31 4.482 1.088 3.049 1.00 0.00 H ATOM 536 HB3 ALA A 31 3.270 0.496 1.906 1.00 0.00 H ATOM 537 N THR A 32 2.264 -2.046 4.067 1.00 0.00 N ATOM 538 CA THR A 32 2.549 -3.462 4.422 1.00 0.00 C ATOM 539 C THR A 32 2.258 -4.334 3.171 1.00 0.00 C ATOM 540 O THR A 32 1.131 -4.354 2.659 1.00 0.00 O ATOM 541 CB THR A 32 1.744 -3.928 5.673 1.00 0.00 C ATOM 542 OG1 THR A 32 0.340 -3.776 5.474 1.00 0.00 O ATOM 543 CG2 THR A 32 2.138 -3.213 6.979 1.00 0.00 C ATOM 544 H THR A 32 1.338 -1.747 3.744 1.00 0.00 H ATOM 545 HA THR A 32 3.621 -3.575 4.689 1.00 0.00 H ATOM 546 HB THR A 32 1.950 -5.004 5.829 1.00 0.00 H ATOM 547 HG1 THR A 32 0.132 -4.258 4.671 1.00 0.00 H ATOM 548 HG21 THR A 32 3.218 -3.319 7.192 1.00 0.00 H ATOM 549 HG22 THR A 32 1.912 -2.130 6.944 1.00 0.00 H ATOM 550 HG23 THR A 32 1.592 -3.631 7.845 1.00 0.00 H ATOM 551 N TYR A 33 3.293 -5.052 2.699 1.00 0.00 N ATOM 552 CA TYR A 33 3.184 -5.986 1.546 1.00 0.00 C ATOM 553 C TYR A 33 3.808 -7.359 1.912 1.00 0.00 C ATOM 554 O TYR A 33 4.894 -7.424 2.500 1.00 0.00 O ATOM 555 CB TYR A 33 3.761 -5.379 0.234 1.00 0.00 C ATOM 556 CG TYR A 33 5.269 -5.063 0.146 1.00 0.00 C ATOM 557 CD1 TYR A 33 6.171 -6.046 -0.276 1.00 0.00 C ATOM 558 CD2 TYR A 33 5.738 -3.769 0.406 1.00 0.00 C ATOM 559 CE1 TYR A 33 7.518 -5.737 -0.449 1.00 0.00 C ATOM 560 CE2 TYR A 33 7.082 -3.459 0.221 1.00 0.00 C ATOM 561 CZ TYR A 33 7.971 -4.441 -0.214 1.00 0.00 C ATOM 562 OH TYR A 33 9.292 -4.132 -0.412 1.00 0.00 O ATOM 563 H TYR A 33 4.169 -4.933 3.221 1.00 0.00 H ATOM 564 HA TYR A 33 2.113 -6.159 1.333 1.00 0.00 H ATOM 565 HB2 TYR A 33 3.506 -6.064 -0.596 1.00 0.00 H ATOM 566 HB3 TYR A 33 3.181 -4.468 -0.014 1.00 0.00 H ATOM 567 HD1 TYR A 33 5.832 -7.053 -0.478 1.00 0.00 H ATOM 568 HD2 TYR A 33 5.058 -2.996 0.732 1.00 0.00 H ATOM 569 HE1 TYR A 33 8.205 -6.505 -0.778 1.00 0.00 H ATOM 570 HE2 TYR A 33 7.430 -2.453 0.405 1.00 0.00 H ATOM 571 HH TYR A 33 9.423 -3.195 -0.253 1.00 0.00 H ATOM 572 N ASP A 34 3.138 -8.456 1.500 1.00 0.00 N ATOM 573 CA ASP A 34 3.671 -9.832 1.680 1.00 0.00 C ATOM 574 C ASP A 34 4.738 -10.126 0.588 1.00 0.00 C ATOM 575 O ASP A 34 4.417 -10.230 -0.600 1.00 0.00 O ATOM 576 CB ASP A 34 2.520 -10.876 1.662 1.00 0.00 C ATOM 577 CG ASP A 34 2.934 -12.242 2.232 1.00 0.00 C ATOM 578 OD1 ASP A 34 2.941 -12.405 3.471 1.00 0.00 O ATOM 579 OD2 ASP A 34 3.274 -13.152 1.440 1.00 0.00 O ATOM 580 H ASP A 34 2.253 -8.269 1.017 1.00 0.00 H ATOM 581 HA ASP A 34 4.125 -9.883 2.693 1.00 0.00 H ATOM 582 HB2 ASP A 34 1.655 -10.515 2.248 1.00 0.00 H ATOM 583 HB3 ASP A 34 2.120 -11.005 0.637 1.00 0.00 H ATOM 584 N GLU A 35 6.005 -10.257 1.015 1.00 0.00 N ATOM 585 CA GLU A 35 7.146 -10.500 0.092 1.00 0.00 C ATOM 586 C GLU A 35 7.229 -11.992 -0.360 1.00 0.00 C ATOM 587 O GLU A 35 7.113 -12.253 -1.561 1.00 0.00 O ATOM 588 CB GLU A 35 8.437 -9.916 0.732 1.00 0.00 C ATOM 589 CG GLU A 35 9.642 -9.730 -0.215 1.00 0.00 C ATOM 590 CD GLU A 35 10.453 -11.007 -0.467 1.00 0.00 C ATOM 591 OE1 GLU A 35 11.218 -11.494 0.365 1.00 0.00 O ATOM 592 OE2 GLU A 35 10.221 -11.541 -1.710 1.00 0.00 O ATOM 593 H GLU A 35 6.135 -10.135 2.027 1.00 0.00 H ATOM 594 HA GLU A 35 6.973 -9.891 -0.818 1.00 0.00 H ATOM 595 HB2 GLU A 35 8.206 -8.909 1.135 1.00 0.00 H ATOM 596 HB3 GLU A 35 8.736 -10.511 1.617 1.00 0.00 H ATOM 597 HG2 GLU A 35 9.315 -9.276 -1.169 1.00 0.00 H ATOM 598 HG3 GLU A 35 10.326 -8.985 0.230 1.00 0.00 H ATOM 599 HE2 GLU A 35 9.591 -11.023 -2.216 1.00 0.00 H ATOM 600 N GLY A 36 7.417 -12.941 0.579 1.00 0.00 N ATOM 601 CA GLY A 36 7.423 -14.390 0.275 1.00 0.00 C ATOM 602 C GLY A 36 6.633 -15.171 1.339 1.00 0.00 C ATOM 603 O GLY A 36 5.433 -15.400 1.166 1.00 0.00 O ATOM 604 H GLY A 36 7.505 -12.588 1.538 1.00 0.00 H ATOM 605 HA2 GLY A 36 6.985 -14.606 -0.719 1.00 0.00 H ATOM 606 HA3 GLY A 36 8.468 -14.751 0.213 1.00 0.00 H ATOM 607 N GLY A 37 7.315 -15.567 2.429 1.00 0.00 N ATOM 608 CA GLY A 37 6.681 -16.301 3.550 1.00 0.00 C ATOM 609 C GLY A 37 6.019 -15.350 4.565 1.00 0.00 C ATOM 610 O GLY A 37 4.825 -15.056 4.447 1.00 0.00 O ATOM 611 H GLY A 37 8.295 -15.266 2.459 1.00 0.00 H ATOM 612 HA2 GLY A 37 5.936 -17.029 3.174 1.00 0.00 H ATOM 613 HA3 GLY A 37 7.453 -16.924 4.043 1.00 0.00 H ATOM 614 N GLY A 38 6.817 -14.866 5.530 1.00 0.00 N ATOM 615 CA GLY A 38 6.397 -13.781 6.444 1.00 0.00 C ATOM 616 C GLY A 38 7.553 -12.803 6.720 1.00 0.00 C ATOM 617 O GLY A 38 8.136 -12.827 7.808 1.00 0.00 O ATOM 618 H GLY A 38 7.791 -15.188 5.481 1.00 0.00 H ATOM 619 HA2 GLY A 38 5.524 -13.220 6.053 1.00 0.00 H ATOM 620 HA3 GLY A 38 6.052 -14.229 7.395 1.00 0.00 H ATOM 621 N LYS A 39 7.858 -11.943 5.731 1.00 0.00 N ATOM 622 CA LYS A 39 8.861 -10.853 5.869 1.00 0.00 C ATOM 623 C LYS A 39 8.231 -9.624 5.166 1.00 0.00 C ATOM 624 O LYS A 39 8.199 -9.547 3.933 1.00 0.00 O ATOM 625 CB LYS A 39 10.246 -11.221 5.265 1.00 0.00 C ATOM 626 CG LYS A 39 11.055 -12.260 6.075 1.00 0.00 C ATOM 627 CD LYS A 39 12.434 -12.570 5.462 1.00 0.00 C ATOM 628 CE LYS A 39 13.241 -13.580 6.302 1.00 0.00 C ATOM 629 NZ LYS A 39 14.517 -13.926 5.655 1.00 0.00 N ATOM 630 H LYS A 39 7.275 -12.035 4.891 1.00 0.00 H ATOM 631 HA LYS A 39 9.022 -10.609 6.940 1.00 0.00 H ATOM 632 HB2 LYS A 39 10.128 -11.565 4.218 1.00 0.00 H ATOM 633 HB3 LYS A 39 10.858 -10.301 5.193 1.00 0.00 H ATOM 634 HG2 LYS A 39 11.186 -11.892 7.110 1.00 0.00 H ATOM 635 HG3 LYS A 39 10.477 -13.200 6.157 1.00 0.00 H ATOM 636 HD2 LYS A 39 12.293 -12.962 4.437 1.00 0.00 H ATOM 637 HD3 LYS A 39 13.010 -11.631 5.354 1.00 0.00 H ATOM 638 HE2 LYS A 39 13.445 -13.173 7.310 1.00 0.00 H ATOM 639 HE3 LYS A 39 12.659 -14.509 6.450 1.00 0.00 H ATOM 640 HZ1 LYS A 39 14.365 -14.289 4.708 1.00 0.00 H ATOM 641 HZ2 LYS A 39 15.139 -13.114 5.578 1.00 0.00 H ATOM 642 HZ3 LYS A 39 15.022 -14.649 6.179 1.00 0.00 H ATOM 643 N THR A 40 7.692 -8.682 5.962 1.00 0.00 N ATOM 644 CA THR A 40 6.894 -7.539 5.438 1.00 0.00 C ATOM 645 C THR A 40 7.791 -6.292 5.225 1.00 0.00 C ATOM 646 O THR A 40 8.587 -5.920 6.096 1.00 0.00 O ATOM 647 CB THR A 40 5.675 -7.205 6.346 1.00 0.00 C ATOM 648 OG1 THR A 40 6.082 -6.903 7.678 1.00 0.00 O ATOM 649 CG2 THR A 40 4.614 -8.316 6.389 1.00 0.00 C ATOM 650 H THR A 40 7.782 -8.860 6.968 1.00 0.00 H ATOM 651 HA THR A 40 6.461 -7.837 4.461 1.00 0.00 H ATOM 652 HB THR A 40 5.170 -6.308 5.936 1.00 0.00 H ATOM 653 HG1 THR A 40 6.565 -7.672 7.989 1.00 0.00 H ATOM 654 HG21 THR A 40 4.266 -8.571 5.370 1.00 0.00 H ATOM 655 HG22 THR A 40 5.000 -9.245 6.848 1.00 0.00 H ATOM 656 HG23 THR A 40 3.730 -8.002 6.975 1.00 0.00 H ATOM 657 N GLY A 41 7.622 -5.639 4.063 1.00 0.00 N ATOM 658 CA GLY A 41 8.371 -4.413 3.724 1.00 0.00 C ATOM 659 C GLY A 41 7.645 -3.144 4.206 1.00 0.00 C ATOM 660 O GLY A 41 6.633 -2.747 3.619 1.00 0.00 O ATOM 661 H GLY A 41 6.906 -6.034 3.443 1.00 0.00 H ATOM 662 HA2 GLY A 41 9.415 -4.467 4.095 1.00 0.00 H ATOM 663 HA3 GLY A 41 8.474 -4.367 2.626 1.00 0.00 H ATOM 664 N ARG A 42 8.189 -2.515 5.265 1.00 0.00 N ATOM 665 CA ARG A 42 7.626 -1.264 5.845 1.00 0.00 C ATOM 666 C ARG A 42 7.878 -0.037 4.914 1.00 0.00 C ATOM 667 O ARG A 42 8.966 0.115 4.345 1.00 0.00 O ATOM 668 CB ARG A 42 8.240 -0.966 7.242 1.00 0.00 C ATOM 669 CG ARG A 42 7.945 -1.982 8.370 1.00 0.00 C ATOM 670 CD ARG A 42 8.600 -1.553 9.697 1.00 0.00 C ATOM 671 NE ARG A 42 8.361 -2.527 10.790 1.00 0.00 N ATOM 672 CZ ARG A 42 8.808 -2.368 12.054 1.00 0.00 C ATOM 673 NH1 ARG A 42 9.509 -1.311 12.467 1.00 0.00 N ATOM 674 NH2 ARG A 42 8.540 -3.314 12.938 1.00 0.00 N ATOM 675 H ARG A 42 9.025 -2.966 5.654 1.00 0.00 H ATOM 676 HA ARG A 42 6.537 -1.412 5.992 1.00 0.00 H ATOM 677 HB2 ARG A 42 9.335 -0.831 7.147 1.00 0.00 H ATOM 678 HB3 ARG A 42 7.862 0.018 7.584 1.00 0.00 H ATOM 679 HG2 ARG A 42 6.851 -2.085 8.502 1.00 0.00 H ATOM 680 HG3 ARG A 42 8.309 -2.984 8.075 1.00 0.00 H ATOM 681 HD2 ARG A 42 9.691 -1.427 9.551 1.00 0.00 H ATOM 682 HD3 ARG A 42 8.213 -0.559 9.997 1.00 0.00 H ATOM 683 HE ARG A 42 7.836 -3.394 10.634 1.00 0.00 H ATOM 684 HH11 ARG A 42 9.722 -0.594 11.765 1.00 0.00 H ATOM 685 HH12 ARG A 42 9.778 -1.297 13.457 1.00 0.00 H ATOM 686 HH21 ARG A 42 8.007 -4.124 12.602 1.00 0.00 H ATOM 687 HH22 ARG A 42 8.909 -3.174 13.885 1.00 0.00 H ATOM 688 N GLY A 43 6.866 0.838 4.796 1.00 0.00 N ATOM 689 CA GLY A 43 6.987 2.083 4.004 1.00 0.00 C ATOM 690 C GLY A 43 5.954 3.164 4.384 1.00 0.00 C ATOM 691 O GLY A 43 5.371 3.156 5.475 1.00 0.00 O ATOM 692 H GLY A 43 6.018 0.596 5.321 1.00 0.00 H ATOM 693 HA2 GLY A 43 7.999 2.518 4.123 1.00 0.00 H ATOM 694 HA3 GLY A 43 6.897 1.823 2.931 1.00 0.00 H ATOM 695 N ALA A 44 5.779 4.124 3.458 1.00 0.00 N ATOM 696 CA ALA A 44 4.962 5.340 3.699 1.00 0.00 C ATOM 697 C ALA A 44 4.167 5.738 2.427 1.00 0.00 C ATOM 698 O ALA A 44 4.735 5.898 1.340 1.00 0.00 O ATOM 699 CB ALA A 44 5.890 6.488 4.145 1.00 0.00 C ATOM 700 H ALA A 44 6.359 4.022 2.617 1.00 0.00 H ATOM 701 HA ALA A 44 4.253 5.156 4.533 1.00 0.00 H ATOM 702 HB1 ALA A 44 6.666 6.712 3.390 1.00 0.00 H ATOM 703 HB2 ALA A 44 5.328 7.423 4.328 1.00 0.00 H ATOM 704 HB3 ALA A 44 6.416 6.243 5.087 1.00 0.00 H ATOM 705 N VAL A 45 2.846 5.940 2.600 1.00 0.00 N ATOM 706 CA VAL A 45 1.961 6.521 1.553 1.00 0.00 C ATOM 707 C VAL A 45 0.954 7.451 2.290 1.00 0.00 C ATOM 708 O VAL A 45 0.008 6.984 2.934 1.00 0.00 O ATOM 709 CB VAL A 45 1.336 5.433 0.610 1.00 0.00 C ATOM 710 CG1 VAL A 45 0.393 4.404 1.270 1.00 0.00 C ATOM 711 CG2 VAL A 45 0.639 6.051 -0.618 1.00 0.00 C ATOM 712 H VAL A 45 2.515 5.791 3.559 1.00 0.00 H ATOM 713 HA VAL A 45 2.593 7.153 0.892 1.00 0.00 H ATOM 714 HB VAL A 45 2.184 4.852 0.208 1.00 0.00 H ATOM 715 HG11 VAL A 45 0.865 3.928 2.148 1.00 0.00 H ATOM 716 HG12 VAL A 45 -0.557 4.857 1.610 1.00 0.00 H ATOM 717 HG13 VAL A 45 0.127 3.591 0.567 1.00 0.00 H ATOM 718 HG21 VAL A 45 1.323 6.716 -1.173 1.00 0.00 H ATOM 719 HG22 VAL A 45 0.295 5.279 -1.333 1.00 0.00 H ATOM 720 HG23 VAL A 45 -0.242 6.656 -0.334 1.00 0.00 H ATOM 721 N SER A 46 1.179 8.775 2.199 1.00 0.00 N ATOM 722 CA SER A 46 0.366 9.791 2.917 1.00 0.00 C ATOM 723 C SER A 46 -0.985 10.104 2.204 1.00 0.00 C ATOM 724 O SER A 46 -2.042 9.860 2.793 1.00 0.00 O ATOM 725 CB SER A 46 1.248 11.037 3.174 1.00 0.00 C ATOM 726 OG SER A 46 0.528 12.026 3.904 1.00 0.00 O ATOM 727 H SER A 46 1.993 9.035 1.631 1.00 0.00 H ATOM 728 HA SER A 46 0.123 9.393 3.924 1.00 0.00 H ATOM 729 HB2 SER A 46 2.155 10.768 3.750 1.00 0.00 H ATOM 730 HB3 SER A 46 1.610 11.477 2.224 1.00 0.00 H ATOM 731 HG SER A 46 -0.212 12.279 3.345 1.00 0.00 H ATOM 732 N GLU A 47 -0.953 10.663 0.978 1.00 0.00 N ATOM 733 CA GLU A 47 -2.161 11.195 0.281 1.00 0.00 C ATOM 734 C GLU A 47 -1.985 11.283 -1.266 1.00 0.00 C ATOM 735 O GLU A 47 -2.886 10.855 -1.994 1.00 0.00 O ATOM 736 CB GLU A 47 -2.697 12.522 0.906 1.00 0.00 C ATOM 737 CG GLU A 47 -1.711 13.711 1.025 1.00 0.00 C ATOM 738 CD GLU A 47 -2.329 14.929 1.717 1.00 0.00 C ATOM 739 OE1 GLU A 47 -2.514 14.995 2.932 1.00 0.00 O ATOM 740 OE2 GLU A 47 -2.643 15.927 0.830 1.00 0.00 O ATOM 741 H GLU A 47 -0.012 10.802 0.595 1.00 0.00 H ATOM 742 HA GLU A 47 -2.969 10.450 0.430 1.00 0.00 H ATOM 743 HB2 GLU A 47 -3.590 12.849 0.338 1.00 0.00 H ATOM 744 HB3 GLU A 47 -3.085 12.291 1.917 1.00 0.00 H ATOM 745 HG2 GLU A 47 -0.816 13.406 1.598 1.00 0.00 H ATOM 746 HG3 GLU A 47 -1.333 13.996 0.027 1.00 0.00 H ATOM 747 HE2 GLU A 47 -2.412 15.690 -0.072 1.00 0.00 H ATOM 748 N LYS A 48 -0.861 11.840 -1.770 1.00 0.00 N ATOM 749 CA LYS A 48 -0.623 12.056 -3.229 1.00 0.00 C ATOM 750 C LYS A 48 -0.386 10.748 -4.048 1.00 0.00 C ATOM 751 O LYS A 48 -1.033 10.577 -5.086 1.00 0.00 O ATOM 752 CB LYS A 48 0.529 13.081 -3.429 1.00 0.00 C ATOM 753 CG LYS A 48 0.191 14.526 -2.987 1.00 0.00 C ATOM 754 CD LYS A 48 1.405 15.474 -2.996 1.00 0.00 C ATOM 755 CE LYS A 48 1.049 16.882 -2.483 1.00 0.00 C ATOM 756 NZ LYS A 48 2.233 17.759 -2.447 1.00 0.00 N ATOM 757 H LYS A 48 -0.190 12.162 -1.064 1.00 0.00 H ATOM 758 HA LYS A 48 -1.536 12.526 -3.648 1.00 0.00 H ATOM 759 HB2 LYS A 48 1.437 12.725 -2.903 1.00 0.00 H ATOM 760 HB3 LYS A 48 0.814 13.117 -4.499 1.00 0.00 H ATOM 761 HG2 LYS A 48 -0.606 14.930 -3.640 1.00 0.00 H ATOM 762 HG3 LYS A 48 -0.238 14.516 -1.968 1.00 0.00 H ATOM 763 HD2 LYS A 48 2.206 15.041 -2.366 1.00 0.00 H ATOM 764 HD3 LYS A 48 1.822 15.535 -4.019 1.00 0.00 H ATOM 765 HE2 LYS A 48 0.274 17.343 -3.123 1.00 0.00 H ATOM 766 HE3 LYS A 48 0.617 16.825 -1.466 1.00 0.00 H ATOM 767 HZ1 LYS A 48 2.710 17.789 -3.354 1.00 0.00 H ATOM 768 HZ2 LYS A 48 1.981 18.723 -2.201 1.00 0.00 H ATOM 769 HZ3 LYS A 48 2.918 17.439 -1.753 1.00 0.00 H ATOM 770 N ASP A 49 0.495 9.832 -3.593 1.00 0.00 N ATOM 771 CA ASP A 49 0.703 8.504 -4.250 1.00 0.00 C ATOM 772 C ASP A 49 -0.404 7.411 -4.008 1.00 0.00 C ATOM 773 O ASP A 49 -0.317 6.350 -4.638 1.00 0.00 O ATOM 774 CB ASP A 49 2.115 7.967 -3.868 1.00 0.00 C ATOM 775 CG ASP A 49 3.305 8.738 -4.464 1.00 0.00 C ATOM 776 OD1 ASP A 49 3.688 8.465 -5.624 1.00 0.00 O ATOM 777 OD2 ASP A 49 3.858 9.621 -3.772 1.00 0.00 O ATOM 778 H ASP A 49 0.976 10.087 -2.724 1.00 0.00 H ATOM 779 HA ASP A 49 0.717 8.663 -5.347 1.00 0.00 H ATOM 780 HB2 ASP A 49 2.233 7.925 -2.769 1.00 0.00 H ATOM 781 HB3 ASP A 49 2.220 6.916 -4.199 1.00 0.00 H ATOM 782 N ALA A 50 -1.437 7.638 -3.160 1.00 0.00 N ATOM 783 CA ALA A 50 -2.512 6.644 -2.890 1.00 0.00 C ATOM 784 C ALA A 50 -3.549 6.517 -4.065 1.00 0.00 C ATOM 785 O ALA A 50 -4.052 7.558 -4.503 1.00 0.00 O ATOM 786 CB ALA A 50 -3.234 7.033 -1.586 1.00 0.00 C ATOM 787 H ALA A 50 -1.398 8.537 -2.668 1.00 0.00 H ATOM 788 HA ALA A 50 -2.015 5.677 -2.685 1.00 0.00 H ATOM 789 HB1 ALA A 50 -2.534 7.135 -0.736 1.00 0.00 H ATOM 790 HB2 ALA A 50 -3.781 7.992 -1.675 1.00 0.00 H ATOM 791 HB3 ALA A 50 -3.972 6.262 -1.295 1.00 0.00 H ATOM 792 N PRO A 51 -3.907 5.306 -4.597 1.00 0.00 N ATOM 793 CA PRO A 51 -4.794 5.168 -5.787 1.00 0.00 C ATOM 794 C PRO A 51 -6.329 5.278 -5.499 1.00 0.00 C ATOM 795 O PRO A 51 -6.787 5.219 -4.353 1.00 0.00 O ATOM 796 CB PRO A 51 -4.376 3.781 -6.323 1.00 0.00 C ATOM 797 CG PRO A 51 -3.933 2.979 -5.101 1.00 0.00 C ATOM 798 CD PRO A 51 -3.302 4.023 -4.183 1.00 0.00 C ATOM 799 HA PRO A 51 -4.517 5.929 -6.545 1.00 0.00 H ATOM 800 HB2 PRO A 51 -5.171 3.261 -6.892 1.00 0.00 H ATOM 801 HB3 PRO A 51 -3.525 3.889 -7.022 1.00 0.00 H ATOM 802 HG2 PRO A 51 -4.808 2.513 -4.609 1.00 0.00 H ATOM 803 HG3 PRO A 51 -3.230 2.168 -5.366 1.00 0.00 H ATOM 804 HD2 PRO A 51 -3.504 3.798 -3.118 1.00 0.00 H ATOM 805 HD3 PRO A 51 -2.204 4.046 -4.325 1.00 0.00 H ATOM 806 N LYS A 52 -7.108 5.413 -6.590 1.00 0.00 N ATOM 807 CA LYS A 52 -8.604 5.471 -6.550 1.00 0.00 C ATOM 808 C LYS A 52 -9.329 4.173 -6.064 1.00 0.00 C ATOM 809 O LYS A 52 -10.303 4.278 -5.312 1.00 0.00 O ATOM 810 CB LYS A 52 -9.137 5.871 -7.959 1.00 0.00 C ATOM 811 CG LYS A 52 -8.944 7.355 -8.348 1.00 0.00 C ATOM 812 CD LYS A 52 -9.313 7.645 -9.817 1.00 0.00 C ATOM 813 CE LYS A 52 -9.224 9.141 -10.172 1.00 0.00 C ATOM 814 NZ LYS A 52 -9.478 9.372 -11.606 1.00 0.00 N ATOM 815 H LYS A 52 -6.597 5.422 -7.479 1.00 0.00 H ATOM 816 HA LYS A 52 -8.891 6.276 -5.844 1.00 0.00 H ATOM 817 HB2 LYS A 52 -8.682 5.217 -8.730 1.00 0.00 H ATOM 818 HB3 LYS A 52 -10.224 5.662 -8.022 1.00 0.00 H ATOM 819 HG2 LYS A 52 -9.555 7.988 -7.677 1.00 0.00 H ATOM 820 HG3 LYS A 52 -7.895 7.661 -8.173 1.00 0.00 H ATOM 821 HD2 LYS A 52 -8.643 7.060 -10.478 1.00 0.00 H ATOM 822 HD3 LYS A 52 -10.337 7.276 -10.025 1.00 0.00 H ATOM 823 HE2 LYS A 52 -9.958 9.719 -9.580 1.00 0.00 H ATOM 824 HE3 LYS A 52 -8.227 9.546 -9.916 1.00 0.00 H ATOM 825 HZ1 LYS A 52 -10.376 8.973 -11.902 1.00 0.00 H ATOM 826 HZ2 LYS A 52 -9.500 10.374 -11.827 1.00 0.00 H ATOM 827 HZ3 LYS A 52 -8.749 8.949 -12.191 1.00 0.00 H ATOM 828 N GLU A 53 -8.883 2.977 -6.505 1.00 0.00 N ATOM 829 CA GLU A 53 -9.564 1.675 -6.226 1.00 0.00 C ATOM 830 C GLU A 53 -9.667 1.249 -4.727 1.00 0.00 C ATOM 831 O GLU A 53 -10.724 0.762 -4.315 1.00 0.00 O ATOM 832 CB GLU A 53 -8.887 0.547 -7.054 1.00 0.00 C ATOM 833 CG GLU A 53 -9.040 0.669 -8.586 1.00 0.00 C ATOM 834 CD GLU A 53 -8.437 -0.522 -9.334 1.00 0.00 C ATOM 835 OE1 GLU A 53 -9.109 -1.451 -9.781 1.00 0.00 O ATOM 836 OE2 GLU A 53 -7.073 -0.433 -9.440 1.00 0.00 O ATOM 837 H GLU A 53 -8.068 3.034 -7.127 1.00 0.00 H ATOM 838 HA GLU A 53 -10.605 1.768 -6.595 1.00 0.00 H ATOM 839 HB2 GLU A 53 -7.811 0.487 -6.793 1.00 0.00 H ATOM 840 HB3 GLU A 53 -9.311 -0.430 -6.749 1.00 0.00 H ATOM 841 HG2 GLU A 53 -10.111 0.755 -8.849 1.00 0.00 H ATOM 842 HG3 GLU A 53 -8.572 1.602 -8.951 1.00 0.00 H ATOM 843 HE2 GLU A 53 -6.698 -1.189 -9.897 1.00 0.00 H ATOM 844 N LEU A 54 -8.601 1.446 -3.924 1.00 0.00 N ATOM 845 CA LEU A 54 -8.624 1.234 -2.446 1.00 0.00 C ATOM 846 C LEU A 54 -9.687 2.073 -1.654 1.00 0.00 C ATOM 847 O LEU A 54 -10.300 1.539 -0.725 1.00 0.00 O ATOM 848 CB LEU A 54 -7.166 1.454 -1.946 1.00 0.00 C ATOM 849 CG LEU A 54 -6.845 1.147 -0.456 1.00 0.00 C ATOM 850 CD1 LEU A 54 -7.066 -0.331 -0.071 1.00 0.00 C ATOM 851 CD2 LEU A 54 -5.398 1.572 -0.140 1.00 0.00 C ATOM 852 H LEU A 54 -7.787 1.861 -4.390 1.00 0.00 H ATOM 853 HA LEU A 54 -8.870 0.167 -2.286 1.00 0.00 H ATOM 854 HB2 LEU A 54 -6.473 0.853 -2.568 1.00 0.00 H ATOM 855 HB3 LEU A 54 -6.884 2.506 -2.154 1.00 0.00 H ATOM 856 HG LEU A 54 -7.511 1.761 0.179 1.00 0.00 H ATOM 857 HD11 LEU A 54 -6.446 -1.018 -0.676 1.00 0.00 H ATOM 858 HD12 LEU A 54 -6.822 -0.515 0.992 1.00 0.00 H ATOM 859 HD13 LEU A 54 -8.121 -0.634 -0.203 1.00 0.00 H ATOM 860 HD21 LEU A 54 -5.233 2.645 -0.352 1.00 0.00 H ATOM 861 HD22 LEU A 54 -5.153 1.425 0.925 1.00 0.00 H ATOM 862 HD23 LEU A 54 -4.654 1.002 -0.728 1.00 0.00 H ATOM 863 N LEU A 55 -9.921 3.348 -2.035 1.00 0.00 N ATOM 864 CA LEU A 55 -10.996 4.203 -1.454 1.00 0.00 C ATOM 865 C LEU A 55 -12.450 3.698 -1.728 1.00 0.00 C ATOM 866 O LEU A 55 -13.230 3.584 -0.779 1.00 0.00 O ATOM 867 CB LEU A 55 -10.841 5.685 -1.918 1.00 0.00 C ATOM 868 CG LEU A 55 -9.488 6.414 -1.669 1.00 0.00 C ATOM 869 CD1 LEU A 55 -9.499 7.809 -2.324 1.00 0.00 C ATOM 870 CD2 LEU A 55 -9.127 6.526 -0.174 1.00 0.00 C ATOM 871 H LEU A 55 -9.346 3.669 -2.822 1.00 0.00 H ATOM 872 HA LEU A 55 -10.860 4.197 -0.355 1.00 0.00 H ATOM 873 HB2 LEU A 55 -11.061 5.732 -3.003 1.00 0.00 H ATOM 874 HB3 LEU A 55 -11.646 6.285 -1.450 1.00 0.00 H ATOM 875 HG LEU A 55 -8.686 5.837 -2.165 1.00 0.00 H ATOM 876 HD11 LEU A 55 -9.696 7.745 -3.411 1.00 0.00 H ATOM 877 HD12 LEU A 55 -10.274 8.468 -1.889 1.00 0.00 H ATOM 878 HD13 LEU A 55 -8.527 8.324 -2.209 1.00 0.00 H ATOM 879 HD21 LEU A 55 -9.891 7.082 0.399 1.00 0.00 H ATOM 880 HD22 LEU A 55 -9.023 5.530 0.295 1.00 0.00 H ATOM 881 HD23 LEU A 55 -8.161 7.044 -0.026 1.00 0.00 H ATOM 882 N GLN A 56 -12.812 3.406 -3.000 1.00 0.00 N ATOM 883 CA GLN A 56 -14.194 3.001 -3.392 1.00 0.00 C ATOM 884 C GLN A 56 -14.583 1.582 -2.879 1.00 0.00 C ATOM 885 O GLN A 56 -15.499 1.473 -2.059 1.00 0.00 O ATOM 886 CB GLN A 56 -14.398 3.150 -4.927 1.00 0.00 C ATOM 887 CG GLN A 56 -14.349 4.600 -5.464 1.00 0.00 C ATOM 888 CD GLN A 56 -14.532 4.686 -6.991 1.00 0.00 C ATOM 889 OE1 GLN A 56 -15.562 4.289 -7.536 1.00 0.00 O ATOM 890 NE2 GLN A 56 -13.553 5.213 -7.711 1.00 0.00 N ATOM 891 H GLN A 56 -12.074 3.548 -3.699 1.00 0.00 H ATOM 892 HA GLN A 56 -14.899 3.711 -2.917 1.00 0.00 H ATOM 893 HB2 GLN A 56 -13.657 2.525 -5.464 1.00 0.00 H ATOM 894 HB3 GLN A 56 -15.383 2.722 -5.197 1.00 0.00 H ATOM 895 HG2 GLN A 56 -15.148 5.195 -4.984 1.00 0.00 H ATOM 896 HG3 GLN A 56 -13.402 5.082 -5.152 1.00 0.00 H ATOM 897 HE21 GLN A 56 -12.734 5.556 -7.196 1.00 0.00 H ATOM 898 HE22 GLN A 56 -13.708 5.265 -8.725 1.00 0.00 H ATOM 899 N MET A 57 -13.877 0.520 -3.324 1.00 0.00 N ATOM 900 CA MET A 57 -14.026 -0.844 -2.752 1.00 0.00 C ATOM 901 C MET A 57 -12.982 -0.997 -1.612 1.00 0.00 C ATOM 902 O MET A 57 -11.795 -1.220 -1.875 1.00 0.00 O ATOM 903 CB MET A 57 -13.859 -1.933 -3.848 1.00 0.00 C ATOM 904 CG MET A 57 -15.051 -2.055 -4.814 1.00 0.00 C ATOM 905 SD MET A 57 -14.743 -3.370 -6.007 1.00 0.00 S ATOM 906 CE MET A 57 -16.391 -3.561 -6.716 1.00 0.00 C ATOM 907 H MET A 57 -13.129 0.747 -3.987 1.00 0.00 H ATOM 908 HA MET A 57 -15.050 -0.972 -2.345 1.00 0.00 H ATOM 909 HB2 MET A 57 -12.929 -1.768 -4.427 1.00 0.00 H ATOM 910 HB3 MET A 57 -13.729 -2.921 -3.367 1.00 0.00 H ATOM 911 HG2 MET A 57 -15.975 -2.280 -4.253 1.00 0.00 H ATOM 912 HG3 MET A 57 -15.228 -1.109 -5.358 1.00 0.00 H ATOM 913 HE1 MET A 57 -16.788 -2.590 -7.065 1.00 0.00 H ATOM 914 HE2 MET A 57 -16.371 -4.253 -7.579 1.00 0.00 H ATOM 915 HE3 MET A 57 -17.091 -3.971 -5.965 1.00 0.00 H ATOM 916 N LEU A 58 -13.440 -0.850 -0.352 1.00 0.00 N ATOM 917 CA LEU A 58 -12.573 -0.946 0.850 1.00 0.00 C ATOM 918 C LEU A 58 -12.528 -2.389 1.470 1.00 0.00 C ATOM 919 O LEU A 58 -11.403 -2.826 1.716 1.00 0.00 O ATOM 920 CB LEU A 58 -12.814 0.262 1.812 1.00 0.00 C ATOM 921 CG LEU A 58 -11.590 0.779 2.627 1.00 0.00 C ATOM 922 CD1 LEU A 58 -11.755 2.272 2.989 1.00 0.00 C ATOM 923 CD2 LEU A 58 -11.331 -0.032 3.914 1.00 0.00 C ATOM 924 H LEU A 58 -14.448 -0.673 -0.274 1.00 0.00 H ATOM 925 HA LEU A 58 -11.537 -0.770 0.496 1.00 0.00 H ATOM 926 HB2 LEU A 58 -13.172 1.114 1.199 1.00 0.00 H ATOM 927 HB3 LEU A 58 -13.655 0.080 2.496 1.00 0.00 H ATOM 928 HG LEU A 58 -10.685 0.711 1.994 1.00 0.00 H ATOM 929 HD11 LEU A 58 -11.890 2.901 2.091 1.00 0.00 H ATOM 930 HD12 LEU A 58 -12.632 2.446 3.642 1.00 0.00 H ATOM 931 HD13 LEU A 58 -10.868 2.669 3.516 1.00 0.00 H ATOM 932 HD21 LEU A 58 -12.204 -0.012 4.598 1.00 0.00 H ATOM 933 HD22 LEU A 58 -11.107 -1.092 3.696 1.00 0.00 H ATOM 934 HD23 LEU A 58 -10.462 0.363 4.479 1.00 0.00 H ATOM 935 N GLU A 59 -13.525 -3.272 1.745 1.00 0.00 N ATOM 936 CA GLU A 59 -15.009 -3.082 1.708 1.00 0.00 C ATOM 937 C GLU A 59 -15.663 -3.286 0.306 1.00 0.00 C ATOM 938 O GLU A 59 -15.926 -2.313 -0.406 1.00 0.00 O ATOM 939 CB GLU A 59 -15.618 -1.892 2.499 1.00 0.00 C ATOM 940 CG GLU A 59 -15.153 -1.773 3.968 1.00 0.00 C ATOM 941 CD GLU A 59 -15.806 -0.602 4.700 1.00 0.00 C ATOM 942 OE1 GLU A 59 -15.363 0.546 4.676 1.00 0.00 O ATOM 943 OE2 GLU A 59 -16.933 -0.985 5.379 1.00 0.00 O ATOM 944 H GLU A 59 -13.154 -4.164 2.092 1.00 0.00 H ATOM 945 HA GLU A 59 -15.362 -3.944 2.311 1.00 0.00 H ATOM 946 HB2 GLU A 59 -15.448 -0.947 1.951 1.00 0.00 H ATOM 947 HB3 GLU A 59 -16.718 -2.009 2.503 1.00 0.00 H ATOM 948 HG2 GLU A 59 -15.362 -2.718 4.504 1.00 0.00 H ATOM 949 HG3 GLU A 59 -14.055 -1.649 4.017 1.00 0.00 H ATOM 950 HE2 GLU A 59 -17.103 -1.925 5.281 1.00 0.00 H ATOM 951 N LYS A 60 -15.989 -4.543 -0.066 1.00 0.00 N ATOM 952 CA LYS A 60 -16.555 -4.884 -1.406 1.00 0.00 C ATOM 953 C LYS A 60 -17.987 -4.299 -1.617 1.00 0.00 C ATOM 954 O LYS A 60 -18.883 -4.518 -0.794 1.00 0.00 O ATOM 955 CB LYS A 60 -16.596 -6.422 -1.639 1.00 0.00 C ATOM 956 CG LYS A 60 -15.231 -7.155 -1.619 1.00 0.00 C ATOM 957 CD LYS A 60 -15.277 -8.661 -1.977 1.00 0.00 C ATOM 958 CE LYS A 60 -16.207 -9.569 -1.140 1.00 0.00 C ATOM 959 NZ LYS A 60 -15.915 -9.566 0.307 1.00 0.00 N ATOM 960 H LYS A 60 -15.760 -5.264 0.627 1.00 0.00 H ATOM 961 HA LYS A 60 -15.868 -4.468 -2.172 1.00 0.00 H ATOM 962 HB2 LYS A 60 -17.275 -6.893 -0.901 1.00 0.00 H ATOM 963 HB3 LYS A 60 -17.070 -6.614 -2.623 1.00 0.00 H ATOM 964 HG2 LYS A 60 -14.537 -6.651 -2.319 1.00 0.00 H ATOM 965 HG3 LYS A 60 -14.767 -7.044 -0.621 1.00 0.00 H ATOM 966 HD2 LYS A 60 -15.563 -8.763 -3.041 1.00 0.00 H ATOM 967 HD3 LYS A 60 -14.246 -9.060 -1.928 1.00 0.00 H ATOM 968 HE2 LYS A 60 -17.262 -9.281 -1.296 1.00 0.00 H ATOM 969 HE3 LYS A 60 -16.128 -10.607 -1.512 1.00 0.00 H ATOM 970 HZ1 LYS A 60 -14.938 -9.810 0.503 1.00 0.00 H ATOM 971 HZ2 LYS A 60 -16.087 -8.644 0.724 1.00 0.00 H ATOM 972 HZ3 LYS A 60 -16.507 -10.237 0.807 1.00 0.00 H ATOM 973 N GLN A 61 -18.166 -3.547 -2.721 1.00 0.00 N ATOM 974 CA GLN A 61 -19.426 -2.811 -3.010 1.00 0.00 C ATOM 975 C GLN A 61 -20.194 -3.506 -4.172 1.00 0.00 C ATOM 976 O GLN A 61 -19.689 -3.641 -5.293 1.00 0.00 O ATOM 977 CB GLN A 61 -19.072 -1.329 -3.314 1.00 0.00 C ATOM 978 CG GLN A 61 -20.278 -0.369 -3.447 1.00 0.00 C ATOM 979 CD GLN A 61 -19.907 1.115 -3.646 1.00 0.00 C ATOM 980 OE1 GLN A 61 -18.873 1.467 -4.215 1.00 0.00 O ATOM 981 NE2 GLN A 61 -20.771 2.023 -3.211 1.00 0.00 N ATOM 982 H GLN A 61 -17.319 -3.405 -3.284 1.00 0.00 H ATOM 983 HA GLN A 61 -20.055 -2.790 -2.095 1.00 0.00 H ATOM 984 HB2 GLN A 61 -18.431 -0.948 -2.495 1.00 0.00 H ATOM 985 HB3 GLN A 61 -18.454 -1.269 -4.231 1.00 0.00 H ATOM 986 HG2 GLN A 61 -20.903 -0.685 -4.304 1.00 0.00 H ATOM 987 HG3 GLN A 61 -20.922 -0.490 -2.555 1.00 0.00 H ATOM 988 HE21 GLN A 61 -21.621 1.666 -2.759 1.00 0.00 H ATOM 989 HE22 GLN A 61 -20.537 3.007 -3.391 1.00 0.00 H ATOM 990 N LYS A 62 -21.446 -3.904 -3.886 1.00 0.00 N ATOM 991 CA LYS A 62 -22.390 -4.456 -4.898 1.00 0.00 C ATOM 992 C LYS A 62 -23.205 -3.297 -5.521 1.00 0.00 C ATOM 993 O LYS A 62 -23.206 -3.168 -6.766 1.00 0.00 O ATOM 994 CB LYS A 62 -23.344 -5.505 -4.257 1.00 0.00 C ATOM 995 CG LYS A 62 -22.704 -6.789 -3.680 1.00 0.00 C ATOM 996 CD LYS A 62 -22.331 -7.878 -4.709 1.00 0.00 C ATOM 997 CE LYS A 62 -21.754 -9.170 -4.091 1.00 0.00 C ATOM 998 NZ LYS A 62 -22.747 -9.942 -3.315 1.00 0.00 N ATOM 999 OXT LYS A 62 -23.854 -2.519 -4.784 1.00 0.00 O ATOM 1000 H LYS A 62 -21.736 -3.741 -2.915 1.00 0.00 H ATOM 1001 HA LYS A 62 -21.832 -4.958 -5.713 1.00 0.00 H ATOM 1002 HB2 LYS A 62 -23.903 -5.018 -3.434 1.00 0.00 H ATOM 1003 HB3 LYS A 62 -24.127 -5.806 -4.983 1.00 0.00 H ATOM 1004 HG2 LYS A 62 -21.826 -6.530 -3.059 1.00 0.00 H ATOM 1005 HG3 LYS A 62 -23.427 -7.234 -2.975 1.00 0.00 H ATOM 1006 HD2 LYS A 62 -23.210 -8.134 -5.334 1.00 0.00 H ATOM 1007 HD3 LYS A 62 -21.585 -7.465 -5.410 1.00 0.00 H ATOM 1008 HE2 LYS A 62 -21.365 -9.814 -4.901 1.00 0.00 H ATOM 1009 HE3 LYS A 62 -20.881 -8.942 -3.451 1.00 0.00 H ATOM 1010 HZ1 LYS A 62 -23.162 -9.373 -2.569 1.00 0.00 H ATOM 1011 HZ2 LYS A 62 -23.514 -10.264 -3.914 1.00 0.00 H ATOM 1012 HZ3 LYS A 62 -22.333 -10.763 -2.859 1.00 0.00 H TER 1013 LYS A 62 MASTER 143 0 0 1 2 0 0 6 1012 1 0 5 END