USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 709 hydrogens (0 hets) HEADER ELECTRON TRANSPORT 11-DEC-98 1B3I TITLE NMR SOLUTION STRUCTURE OF PLASTOCYANIN FROM THE TITLE 2 PHOTOSYNTHETIC PROKARYOTE, PROCHLOROTHRIX HOLLANDICA TITLE 3 (MINIMIZED AVERAGE STRUCTURE) COMPND MOL_ID: 1; COMPND 2 MOLECULE: PROTEIN (PLASTOCYANIN); COMPND 3 CHAIN: A; COMPND 4 SYNONYM: PETE PROTEIN; COMPND 5 EC: 1.10.99.1; COMPND 6 ENGINEERED: YES; COMPND 7 MUTATION: YES; COMPND 8 OTHER_DETAILS: T2S MUTATION INTRODUCED TO CLONE IN COMPND 9 EXPRESSION VECTOR SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: PROCHLOROTHRIX HOLLANDICA; SOURCE 3 ORGANISM_TAXID: 1223; SOURCE 4 CELLULAR_LOCATION: THYLAKOID LUMEN; SOURCE 5 GENE: PETE; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)PLYSS; SOURCE 9 EXPRESSION_SYSTEM_CELLULAR_LOCATION: CYTOPLASM - INCLUSION SOURCE 0 BODIES; SOURCE 1 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 2 EXPRESSION_SYSTEM_VECTOR: PSCREEN; SOURCE 3 EXPRESSION_SYSTEM_PLASMID: PVAPC10; SOURCE 4 EXPRESSION_SYSTEM_GENE: PETE; SOURCE 5 OTHER_DETAILS: INCLUSION BODIES WERE REFOLDED IN-VITRO KEYWDS ELECTRON TRANSPORT, TYPE I COPPER PROTEIN, PHOTOSYNTHESIS EXPDTA SOLUTION NMR AUTHOR C.R.BABU,B.F.VOLKMAN,G.S.BULLERJAHN REVDAT 3 24-FEB-09 1B3I 1 VERSN REVDAT 2 18-MAY-00 1B3I 1 COMPND REMARK HET HETNAM REVDAT 2 2 1 LINK CISPEP REVDAT 1 27-APR-99 1B3I 0 JRNL AUTH C.R.BABU,B.F.VOLKMAN,G.S.BULLERJAHN JRNL TITL NMR SOLUTION STRUCTURE OF PLASTOCYANIN FROM THE JRNL TITL 2 PHOTOSYNTHETIC PROKARYOTE, PROCHLOROTHRIX JRNL TITL 3 HOLLANDICA. JRNL REF BIOCHEMISTRY V. 38 4988 1999 JRNL REFN ISSN 0006-2960 JRNL PMID 10213601 JRNL DOI 10.1021/BI983024F REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : DYANA REMARK 3 AUTHORS : P.GUNTERT, C.MUMENTHALER, K.WUTHRICH REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: REFINEMENT DETAILS ARE IN THE REMARK 3 SUBMITTED FILE AND IN THE JRNL CITATION ABOVE. THE RESTRAINTS REMARK 3 ARE IN THE FILES WITH THE 19 CONFORMERS. REMARK 4 REMARK 4 1B3I COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 14-DEC-98. REMARK 100 THE RCSB ID CODE IS RCSB000246. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 7.0 REMARK 210 IONIC STRENGTH : 20MM POTASSIUM PHOSPHATE REMARK 210 PRESSURE : 1 ATM REMARK 210 SAMPLE CONTENTS : 90% WATER/10% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY, TOCSY, DQF-COSY REMARK 210 SPECTROMETER FIELD STRENGTH : 750 MHZ REMARK 210 SPECTROMETER MODEL : DMX750 REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : DYANA 1.5, FELIX REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 40 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : LOWEST TARGET FUNCTION REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: MINIMIZED AVERAGE STRUCTURE. THE STRUCTURE WAS REMARK 210 DETERMINED USING TWO- DIMENCIONAL NMR SPECTROSCOPY. WATER REMARK 210 SUPPRESSION WAS ACHIEVED WITH A WATERGATE SEQ. WITH A 3-9-19 REMARK 210 SELECTIVE INVERSION. 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: 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 LYS A 11 39.68 -90.62 REMARK 500 TYR A 12 29.67 38.26 REMARK 500 ALA A 25 105.43 -58.14 REMARK 500 LYS A 35 -167.52 -168.89 REMARK 500 PRO A 38 -168.90 -74.97 REMARK 500 ASN A 40 166.99 173.98 REMARK 500 PHE A 43 160.64 -47.67 REMARK 500 LYS A 45 143.56 167.31 REMARK 500 ALA A 54 -45.67 -157.32 REMARK 500 LEU A 60 102.47 -40.42 REMARK 500 SER A 66 97.36 -178.70 REMARK 500 PHE A 67 -86.71 -38.19 REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CU1 A 110 CU REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS A 39 ND1 REMARK 620 2 HIS A 85 ND1 117.6 REMARK 620 3 CYS A 82 SG 112.5 107.9 REMARK 620 4 MET A 90 SD 106.8 106.5 104.6 REMARK 620 N 1 2 3 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: CU REMARK 800 EVIDENCE_CODE: AUTHOR REMARK 800 SITE_DESCRIPTION: COPPER BINDING SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CU1 A 110 REMARK 999 REMARK 999 SEQUENCE REMARK 999 T2S - INTRODUCED TO CLONE, R61A - MISTAKE IN GB ENTRY DBREF 1B3I A 1 97 UNP P50057 PLAS_PROHO 35 131 SEQADV 1B3I SER A 2 UNP P50057 THR 36 SEE REMARK 999 SEQADV 1B3I ALA A 61 UNP P50057 ARG 95 SEE REMARK 999 SEQRES 1 A 97 ALA SER VAL GLN ILE LYS MET GLY THR ASP LYS TYR ALA SEQRES 2 A 97 PRO LEU TYR GLU PRO LYS ALA LEU SER ILE SER ALA GLY SEQRES 3 A 97 ASP THR VAL GLU PHE VAL MET ASN LYS VAL GLY PRO HIS SEQRES 4 A 97 ASN VAL ILE PHE ASP LYS VAL PRO ALA GLY GLU SER ALA SEQRES 5 A 97 PRO ALA LEU SER ASN THR LYS LEU ALA ILE ALA PRO GLY SEQRES 6 A 97 SER PHE TYR SER VAL THR LEU GLY THR PRO GLY THR TYR SEQRES 7 A 97 SER PHE TYR CYS THR PRO HIS ARG GLY ALA GLY MET VAL SEQRES 8 A 97 GLY THR ILE THR VAL GLU HET CU1 A 110 1 HETNAM CU1 COPPER (I) ION FORMUL 2 CU1 CU 1+ HELIX 1 1 ALA A 52 LEU A 55 1 4 SHEET 1 A 3 VAL A 3 MET A 7 0 SHEET 2 A 3 THR A 28 MET A 33 1 N GLU A 30 O VAL A 3 SHEET 3 A 3 TYR A 68 THR A 71 -1 N VAL A 70 O VAL A 29 SHEET 1 B 4 ALA A 20 ILE A 23 0 SHEET 2 B 4 VAL A 91 VAL A 96 1 N THR A 93 O LEU A 21 SHEET 3 B 4 THR A 77 TYR A 81 -1 N PHE A 80 O GLY A 92 SHEET 4 B 4 ILE A 42 LYS A 45 -1 N LYS A 45 O SER A 79 LINK ND1 HIS A 39 CU CU1 A 110 1555 1555 1.98 LINK ND1 HIS A 85 CU CU1 A 110 1555 1555 2.00 LINK CU CU1 A 110 SG CYS A 82 1555 1555 2.35 LINK CU CU1 A 110 SD MET A 90 1555 1555 2.95 CISPEP 1 GLU A 17 PRO A 18 0 0.09 CISPEP 2 GLY A 37 PRO A 38 0 -0.06 SITE *** CU 4 HIS A 39 CYS A 82 HIS A 85 MET A 90 SITE *** AC1 4 HIS A 39 CYS A 82 HIS A 85 MET A 90 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 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 39 HIS HD1 : A 39 HIS ND1 : A 110 CU1CU :(H bumps) USER MOD NoAdj-H: A 85 HIS HD1 : A 85 HIS ND1 : A 110 CU1CU :(H bumps) USER MOD Set 1.1: A 77 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 95 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 28 THR OG1 : rot -73:sc= 1.07 USER MOD Set 2.2: A 71 THR OG1 : rot 180:sc= 0.312 USER MOD Single : A 1 ALA N :NH3+ 176:sc= 1.01 (180deg=0.904) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 MET CE :methyl 162:sc= -1.91 (180deg=-3.27!) USER MOD Single : A 9 THR OG1 : rot -74:sc= -2.89! USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 43:sc= 0.0511 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot -65:sc= 0.365 USER MOD Single : A 33 MET CE :methyl -113:sc= -0.338 (180deg=-1.92!) USER MOD Single : A 34 ASN : amide:sc= -5.43 K(o=-5.4,f=-13!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -3! C(o=-3!,f=-8.3!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.233 K(o=-0.23,f=-2.8!) USER MOD Single : A 58 THR OG1 : rot -37:sc= 1.14 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot -130:sc= -1.41 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 90:sc= -4.02! USER MOD Single : A 78 TYR OH : rot 31:sc= -4.42! USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 180:sc= -0.592 USER MOD Single : A 83 THR OG1 : rot 180:sc= -1 USER MOD Single : A 90 MET CE :methyl 171:sc= -4.84! (180deg=-5.7!) USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.456 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 13.713 -1.614 8.440 1.00 0.00 N ATOM 2 CA ALA A 1 14.461 -1.614 7.195 1.00 0.00 C ATOM 3 C ALA A 1 13.514 -1.296 6.036 1.00 0.00 C ATOM 4 O ALA A 1 12.298 -1.412 6.174 1.00 0.00 O ATOM 5 CB ALA A 1 15.163 -2.962 7.021 1.00 0.00 C ATOM 0 H1 ALA A 1 14.339 -1.896 9.221 1.00 0.00 H new ATOM 0 H2 ALA A 1 13.341 -0.660 8.622 1.00 0.00 H new ATOM 0 H3 ALA A 1 12.922 -2.286 8.370 1.00 0.00 H new ATOM 0 HA ALA A 1 15.233 -0.844 7.211 1.00 0.00 H new ATOM 0 HB1 ALA A 1 15.724 -2.962 6.087 1.00 0.00 H new ATOM 0 HB2 ALA A 1 15.846 -3.127 7.855 1.00 0.00 H new ATOM 0 HB3 ALA A 1 14.420 -3.759 6.998 1.00 0.00 H new ATOM 11 N SER A 2 14.109 -0.901 4.919 1.00 0.00 N ATOM 12 CA SER A 2 13.333 -0.566 3.737 1.00 0.00 C ATOM 13 C SER A 2 12.472 -1.759 3.320 1.00 0.00 C ATOM 14 O SER A 2 12.981 -2.865 3.143 1.00 0.00 O ATOM 15 CB SER A 2 14.244 -0.140 2.584 1.00 0.00 C ATOM 16 OG SER A 2 15.117 0.923 2.957 1.00 0.00 O ATOM 0 H SER A 2 15.118 -0.806 4.808 1.00 0.00 H new ATOM 0 HA SER A 2 12.683 0.274 3.981 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.834 -0.995 2.254 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.634 0.173 1.737 1.00 0.00 H new ATOM 0 HG SER A 2 15.683 1.164 2.194 1.00 0.00 H new ATOM 22 N VAL A 3 11.182 -1.496 3.175 1.00 0.00 N ATOM 23 CA VAL A 3 10.245 -2.535 2.783 1.00 0.00 C ATOM 24 C VAL A 3 9.527 -2.110 1.500 1.00 0.00 C ATOM 25 O VAL A 3 9.747 -1.009 0.997 1.00 0.00 O ATOM 26 CB VAL A 3 9.284 -2.835 3.935 1.00 0.00 C ATOM 27 CG1 VAL A 3 9.975 -3.654 5.026 1.00 0.00 C ATOM 28 CG2 VAL A 3 8.694 -1.544 4.507 1.00 0.00 C ATOM 0 H VAL A 3 10.763 -0.578 3.322 1.00 0.00 H new ATOM 0 HA VAL A 3 10.773 -3.464 2.568 1.00 0.00 H new ATOM 0 HB VAL A 3 8.462 -3.432 3.539 1.00 0.00 H new ATOM 0 HG11 VAL A 3 9.270 -3.853 5.833 1.00 0.00 H new ATOM 0 HG12 VAL A 3 10.323 -4.598 4.607 1.00 0.00 H new ATOM 0 HG13 VAL A 3 10.825 -3.095 5.417 1.00 0.00 H new ATOM 0 HG21 VAL A 3 8.014 -1.785 5.324 1.00 0.00 H new ATOM 0 HG22 VAL A 3 9.499 -0.910 4.879 1.00 0.00 H new ATOM 0 HG23 VAL A 3 8.148 -1.016 3.725 1.00 0.00 H new ATOM 38 N GLN A 4 8.684 -3.006 1.007 1.00 0.00 N ATOM 39 CA GLN A 4 7.933 -2.738 -0.207 1.00 0.00 C ATOM 40 C GLN A 4 6.526 -3.328 -0.102 1.00 0.00 C ATOM 41 O GLN A 4 6.317 -4.327 0.586 1.00 0.00 O ATOM 42 CB GLN A 4 8.665 -3.280 -1.436 1.00 0.00 C ATOM 43 CG GLN A 4 9.372 -4.599 -1.115 1.00 0.00 C ATOM 44 CD GLN A 4 10.257 -5.044 -2.280 1.00 0.00 C ATOM 45 OE1 GLN A 4 10.414 -4.353 -3.274 1.00 0.00 O ATOM 46 NE2 GLN A 4 10.826 -6.234 -2.104 1.00 0.00 N ATOM 0 H GLN A 4 8.505 -3.918 1.427 1.00 0.00 H new ATOM 0 HA GLN A 4 7.845 -1.658 -0.325 1.00 0.00 H new ATOM 0 HB2 GLN A 4 7.955 -3.432 -2.249 1.00 0.00 H new ATOM 0 HB3 GLN A 4 9.394 -2.547 -1.782 1.00 0.00 H new ATOM 0 HG2 GLN A 4 9.979 -4.481 -0.217 1.00 0.00 H new ATOM 0 HG3 GLN A 4 8.632 -5.370 -0.901 1.00 0.00 H new ATOM 0 HE21 GLN A 4 10.653 -6.761 -1.248 1.00 0.00 H new ATOM 0 HE22 GLN A 4 11.436 -6.619 -2.825 1.00 0.00 H new ATOM 55 N ILE A 5 5.596 -2.687 -0.794 1.00 0.00 N ATOM 56 CA ILE A 5 4.214 -3.136 -0.787 1.00 0.00 C ATOM 57 C ILE A 5 3.823 -3.590 -2.195 1.00 0.00 C ATOM 58 O ILE A 5 3.732 -2.774 -3.111 1.00 0.00 O ATOM 59 CB ILE A 5 3.300 -2.051 -0.214 1.00 0.00 C ATOM 60 CG1 ILE A 5 3.360 -2.034 1.315 1.00 0.00 C ATOM 61 CG2 ILE A 5 1.869 -2.210 -0.730 1.00 0.00 C ATOM 62 CD1 ILE A 5 2.787 -3.326 1.900 1.00 0.00 C ATOM 0 H ILE A 5 5.772 -1.860 -1.364 1.00 0.00 H new ATOM 0 HA ILE A 5 4.097 -3.998 -0.130 1.00 0.00 H new ATOM 0 HB ILE A 5 3.661 -1.083 -0.561 1.00 0.00 H new ATOM 0 HG12 ILE A 5 4.393 -1.910 1.641 1.00 0.00 H new ATOM 0 HG13 ILE A 5 2.801 -1.179 1.695 1.00 0.00 H new ATOM 0 HG21 ILE A 5 1.241 -1.426 -0.307 1.00 0.00 H new ATOM 0 HG22 ILE A 5 1.864 -2.133 -1.817 1.00 0.00 H new ATOM 0 HG23 ILE A 5 1.482 -3.185 -0.434 1.00 0.00 H new ATOM 0 HD11 ILE A 5 2.841 -3.288 2.988 1.00 0.00 H new ATOM 0 HD12 ILE A 5 1.747 -3.435 1.592 1.00 0.00 H new ATOM 0 HD13 ILE A 5 3.364 -4.177 1.537 1.00 0.00 H new ATOM 74 N LYS A 6 3.601 -4.889 -2.323 1.00 0.00 N ATOM 75 CA LYS A 6 3.221 -5.461 -3.603 1.00 0.00 C ATOM 76 C LYS A 6 1.695 -5.517 -3.700 1.00 0.00 C ATOM 77 O LYS A 6 1.025 -5.948 -2.763 1.00 0.00 O ATOM 78 CB LYS A 6 3.900 -6.817 -3.807 1.00 0.00 C ATOM 79 CG LYS A 6 5.108 -6.692 -4.738 1.00 0.00 C ATOM 80 CD LYS A 6 5.852 -8.023 -4.854 1.00 0.00 C ATOM 81 CE LYS A 6 7.071 -7.893 -5.769 1.00 0.00 C ATOM 82 NZ LYS A 6 8.148 -8.808 -5.331 1.00 0.00 N ATOM 0 H LYS A 6 3.677 -5.563 -1.561 1.00 0.00 H new ATOM 0 HA LYS A 6 3.570 -4.829 -4.420 1.00 0.00 H new ATOM 0 HB2 LYS A 6 4.218 -7.217 -2.844 1.00 0.00 H new ATOM 0 HB3 LYS A 6 3.186 -7.526 -4.226 1.00 0.00 H new ATOM 0 HG2 LYS A 6 4.778 -6.369 -5.725 1.00 0.00 H new ATOM 0 HG3 LYS A 6 5.784 -5.925 -4.361 1.00 0.00 H new ATOM 0 HD2 LYS A 6 6.169 -8.354 -3.865 1.00 0.00 H new ATOM 0 HD3 LYS A 6 5.179 -8.787 -5.245 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.788 -8.121 -6.797 1.00 0.00 H new ATOM 0 HE3 LYS A 6 7.433 -6.865 -5.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 8.968 -8.707 -5.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 8.430 -8.572 -4.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 7.805 -9.789 -5.364 1.00 0.00 H new ATOM 96 N MET A 7 1.190 -5.075 -4.842 1.00 0.00 N ATOM 97 CA MET A 7 -0.244 -5.068 -5.074 1.00 0.00 C ATOM 98 C MET A 7 -0.649 -6.185 -6.039 1.00 0.00 C ATOM 99 O MET A 7 -0.555 -6.024 -7.254 1.00 0.00 O ATOM 100 CB MET A 7 -0.663 -3.716 -5.654 1.00 0.00 C ATOM 101 CG MET A 7 -0.429 -2.590 -4.644 1.00 0.00 C ATOM 102 SD MET A 7 0.915 -1.550 -5.189 1.00 0.00 S ATOM 103 CE MET A 7 0.020 -0.047 -5.542 1.00 0.00 C ATOM 0 H MET A 7 1.749 -4.719 -5.617 1.00 0.00 H new ATOM 0 HA MET A 7 -0.747 -5.235 -4.121 1.00 0.00 H new ATOM 0 HB2 MET A 7 -0.098 -3.516 -6.564 1.00 0.00 H new ATOM 0 HB3 MET A 7 -1.716 -3.746 -5.933 1.00 0.00 H new ATOM 0 HG2 MET A 7 -1.336 -1.997 -4.532 1.00 0.00 H new ATOM 0 HG3 MET A 7 -0.200 -3.011 -3.665 1.00 0.00 H new ATOM 0 HE1 MET A 7 0.717 0.790 -5.584 1.00 0.00 H new ATOM 0 HE2 MET A 7 -0.490 -0.144 -6.501 1.00 0.00 H new ATOM 0 HE3 MET A 7 -0.715 0.132 -4.757 1.00 0.00 H new ATOM 113 N GLY A 8 -1.090 -7.292 -5.460 1.00 0.00 N ATOM 114 CA GLY A 8 -1.509 -8.435 -6.254 1.00 0.00 C ATOM 115 C GLY A 8 -0.636 -9.656 -5.960 1.00 0.00 C ATOM 116 O GLY A 8 0.563 -9.524 -5.719 1.00 0.00 O ATOM 0 H GLY A 8 -1.166 -7.422 -4.451 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -2.552 -8.669 -6.039 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -1.449 -8.188 -7.314 1.00 0.00 H new ATOM 120 N THR A 9 -1.272 -10.819 -5.989 1.00 0.00 N ATOM 121 CA THR A 9 -0.568 -12.063 -5.729 1.00 0.00 C ATOM 122 C THR A 9 -0.408 -12.866 -7.021 1.00 0.00 C ATOM 123 O THR A 9 -1.127 -12.635 -7.993 1.00 0.00 O ATOM 124 CB THR A 9 -1.328 -12.816 -4.636 1.00 0.00 C ATOM 125 OG1 THR A 9 -2.700 -12.583 -4.943 1.00 0.00 O ATOM 126 CG2 THR A 9 -1.143 -12.186 -3.254 1.00 0.00 C ATOM 0 H THR A 9 -2.267 -10.925 -6.189 1.00 0.00 H new ATOM 0 HA THR A 9 0.445 -11.877 -5.372 1.00 0.00 H new ATOM 0 HB THR A 9 -0.993 -13.853 -4.610 1.00 0.00 H new ATOM 0 HG1 THR A 9 -2.937 -11.663 -4.702 1.00 0.00 H new ATOM 0 HG21 THR A 9 -1.703 -12.759 -2.515 1.00 0.00 H new ATOM 0 HG22 THR A 9 -0.085 -12.190 -2.991 1.00 0.00 H new ATOM 0 HG23 THR A 9 -1.509 -11.159 -3.270 1.00 0.00 H new ATOM 134 N ASP A 10 0.539 -13.792 -6.992 1.00 0.00 N ATOM 135 CA ASP A 10 0.802 -14.631 -8.149 1.00 0.00 C ATOM 136 C ASP A 10 -0.462 -15.417 -8.502 1.00 0.00 C ATOM 137 O ASP A 10 -0.572 -15.961 -9.599 1.00 0.00 O ATOM 138 CB ASP A 10 1.918 -15.636 -7.858 1.00 0.00 C ATOM 139 CG ASP A 10 2.485 -16.347 -9.089 1.00 0.00 C ATOM 140 OD1 ASP A 10 2.097 -15.943 -10.206 1.00 0.00 O ATOM 141 OD2 ASP A 10 3.293 -17.278 -8.884 1.00 0.00 O ATOM 0 H ASP A 10 1.134 -13.980 -6.185 1.00 0.00 H new ATOM 0 HA ASP A 10 1.105 -13.984 -8.973 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.731 -15.117 -7.350 1.00 0.00 H new ATOM 0 HB3 ASP A 10 1.538 -16.387 -7.166 1.00 0.00 H new ATOM 146 N LYS A 11 -1.384 -15.451 -7.551 1.00 0.00 N ATOM 147 CA LYS A 11 -2.636 -16.161 -7.748 1.00 0.00 C ATOM 148 C LYS A 11 -3.674 -15.203 -8.338 1.00 0.00 C ATOM 149 O LYS A 11 -4.844 -15.242 -7.962 1.00 0.00 O ATOM 150 CB LYS A 11 -3.085 -16.827 -6.446 1.00 0.00 C ATOM 151 CG LYS A 11 -3.158 -18.347 -6.604 1.00 0.00 C ATOM 152 CD LYS A 11 -3.363 -19.030 -5.251 1.00 0.00 C ATOM 153 CE LYS A 11 -2.829 -20.464 -5.274 1.00 0.00 C ATOM 154 NZ LYS A 11 -3.063 -21.125 -3.970 1.00 0.00 N ATOM 0 H LYS A 11 -1.289 -14.998 -6.642 1.00 0.00 H new ATOM 0 HA LYS A 11 -2.505 -16.971 -8.465 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.390 -16.574 -5.646 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -4.062 -16.441 -6.154 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -3.977 -18.607 -7.275 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.240 -18.713 -7.065 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -2.855 -18.461 -4.472 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -4.424 -19.037 -5.000 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.319 -21.028 -6.068 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.763 -20.458 -5.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.695 -22.097 -4.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -2.575 -20.595 -3.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.083 -21.148 -3.771 1.00 0.00 H new ATOM 168 N TYR A 12 -3.206 -14.367 -9.253 1.00 0.00 N ATOM 169 CA TYR A 12 -4.079 -13.401 -9.899 1.00 0.00 C ATOM 170 C TYR A 12 -5.090 -12.825 -8.906 1.00 0.00 C ATOM 171 O TYR A 12 -6.198 -12.453 -9.288 1.00 0.00 O ATOM 172 CB TYR A 12 -4.831 -14.172 -10.985 1.00 0.00 C ATOM 173 CG TYR A 12 -4.443 -13.777 -12.412 1.00 0.00 C ATOM 174 CD1 TYR A 12 -5.110 -12.752 -13.050 1.00 0.00 C ATOM 175 CD2 TYR A 12 -3.425 -14.447 -13.060 1.00 0.00 C ATOM 176 CE1 TYR A 12 -4.744 -12.380 -14.392 1.00 0.00 C ATOM 177 CE2 TYR A 12 -3.059 -14.075 -14.402 1.00 0.00 C ATOM 178 CZ TYR A 12 -3.737 -13.060 -15.002 1.00 0.00 C ATOM 179 OH TYR A 12 -3.391 -12.709 -16.270 1.00 0.00 O ATOM 0 H TYR A 12 -2.234 -14.338 -9.562 1.00 0.00 H new ATOM 0 HA TYR A 12 -3.500 -12.570 -10.301 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -4.648 -15.238 -10.852 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -5.901 -14.013 -10.854 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -5.907 -12.228 -12.543 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -2.903 -15.250 -12.561 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -5.258 -11.579 -14.903 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -2.264 -14.590 -14.920 1.00 0.00 H new ATOM 0 HH TYR A 12 -2.656 -13.279 -16.578 1.00 0.00 H new ATOM 189 N ALA A 13 -4.672 -12.771 -7.650 1.00 0.00 N ATOM 190 CA ALA A 13 -5.528 -12.247 -6.598 1.00 0.00 C ATOM 191 C ALA A 13 -5.050 -10.847 -6.208 1.00 0.00 C ATOM 192 O ALA A 13 -3.927 -10.680 -5.735 1.00 0.00 O ATOM 193 CB ALA A 13 -5.531 -13.214 -5.413 1.00 0.00 C ATOM 0 H ALA A 13 -3.752 -13.081 -7.337 1.00 0.00 H new ATOM 0 HA ALA A 13 -6.556 -12.158 -6.948 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.173 -12.821 -4.624 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -5.907 -14.185 -5.737 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.516 -13.326 -5.032 1.00 0.00 H new ATOM 199 N PRO A 14 -5.949 -9.851 -6.426 1.00 0.00 N ATOM 200 CA PRO A 14 -5.631 -8.471 -6.103 1.00 0.00 C ATOM 201 C PRO A 14 -5.685 -8.235 -4.592 1.00 0.00 C ATOM 202 O PRO A 14 -6.759 -8.024 -4.031 1.00 0.00 O ATOM 203 CB PRO A 14 -6.648 -7.642 -6.869 1.00 0.00 C ATOM 204 CG PRO A 14 -7.781 -8.593 -7.221 1.00 0.00 C ATOM 205 CD PRO A 14 -7.289 -10.011 -6.985 1.00 0.00 C ATOM 0 HA PRO A 14 -4.616 -8.196 -6.390 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -7.010 -6.811 -6.264 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -6.205 -7.213 -7.768 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -8.658 -8.386 -6.607 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -8.081 -8.461 -8.261 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -7.943 -10.548 -6.298 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -7.265 -10.581 -7.914 1.00 0.00 H new ATOM 213 N LEU A 15 -4.513 -8.281 -3.976 1.00 0.00 N ATOM 214 CA LEU A 15 -4.413 -8.075 -2.541 1.00 0.00 C ATOM 215 C LEU A 15 -3.047 -7.470 -2.210 1.00 0.00 C ATOM 216 O LEU A 15 -2.072 -7.702 -2.924 1.00 0.00 O ATOM 217 CB LEU A 15 -4.707 -9.376 -1.791 1.00 0.00 C ATOM 218 CG LEU A 15 -3.833 -10.576 -2.163 1.00 0.00 C ATOM 219 CD1 LEU A 15 -2.741 -10.805 -1.116 1.00 0.00 C ATOM 220 CD2 LEU A 15 -4.686 -11.827 -2.384 1.00 0.00 C ATOM 0 H LEU A 15 -3.624 -8.458 -4.444 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.167 -7.363 -2.206 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.598 -9.189 -0.723 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.750 -9.644 -1.963 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.333 -10.355 -3.106 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.134 -11.663 -1.405 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.109 -9.920 -1.050 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.201 -10.995 -0.146 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.041 -12.665 -2.647 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.231 -12.062 -1.470 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.394 -11.646 -3.193 1.00 0.00 H new ATOM 232 N TYR A 16 -3.020 -6.706 -1.128 1.00 0.00 N ATOM 233 CA TYR A 16 -1.790 -6.066 -0.695 1.00 0.00 C ATOM 234 C TYR A 16 -0.869 -7.067 0.006 1.00 0.00 C ATOM 235 O TYR A 16 -1.279 -7.737 0.952 1.00 0.00 O ATOM 236 CB TYR A 16 -2.206 -4.987 0.307 1.00 0.00 C ATOM 237 CG TYR A 16 -2.514 -3.631 -0.332 1.00 0.00 C ATOM 238 CD1 TYR A 16 -1.603 -3.049 -1.189 1.00 0.00 C ATOM 239 CD2 TYR A 16 -3.704 -2.990 -0.050 1.00 0.00 C ATOM 240 CE1 TYR A 16 -1.893 -1.773 -1.790 1.00 0.00 C ATOM 241 CE2 TYR A 16 -3.994 -1.714 -0.652 1.00 0.00 C ATOM 242 CZ TYR A 16 -3.074 -1.169 -1.492 1.00 0.00 C ATOM 243 OH TYR A 16 -3.348 0.037 -2.060 1.00 0.00 O ATOM 0 H TYR A 16 -3.830 -6.516 -0.538 1.00 0.00 H new ATOM 0 HA TYR A 16 -1.249 -5.658 -1.549 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -3.087 -5.330 0.850 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -1.409 -4.859 1.040 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -0.672 -3.550 -1.409 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -4.417 -3.445 0.622 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -1.188 -1.306 -2.462 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -4.921 -1.202 -0.441 1.00 0.00 H new ATOM 0 HH TYR A 16 -3.098 0.017 -3.007 1.00 0.00 H new ATOM 253 N GLU A 17 0.360 -7.137 -0.486 1.00 0.00 N ATOM 254 CA GLU A 17 1.342 -8.044 0.081 1.00 0.00 C ATOM 255 C GLU A 17 2.652 -7.303 0.359 1.00 0.00 C ATOM 256 O GLU A 17 3.125 -6.537 -0.479 1.00 0.00 O ATOM 257 CB GLU A 17 1.576 -9.244 -0.839 1.00 0.00 C ATOM 258 CG GLU A 17 2.135 -10.434 -0.057 1.00 0.00 C ATOM 259 CD GLU A 17 2.323 -11.649 -0.968 1.00 0.00 C ATOM 260 OE1 GLU A 17 1.347 -12.420 -1.095 1.00 0.00 O ATOM 261 OE2 GLU A 17 3.438 -11.780 -1.517 1.00 0.00 O ATOM 0 H GLU A 17 0.697 -6.580 -1.271 1.00 0.00 H new ATOM 0 HA GLU A 17 0.954 -8.423 1.027 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.639 -9.527 -1.318 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.270 -8.968 -1.633 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.089 -10.162 0.394 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.458 -10.688 0.759 1.00 0.00 H new ATOM 268 N PRO A 18 3.214 -7.563 1.570 1.00 0.00 N ATOM 269 CA PRO A 18 2.588 -8.484 2.503 1.00 0.00 C ATOM 270 C PRO A 18 1.368 -7.844 3.169 1.00 0.00 C ATOM 271 O PRO A 18 1.388 -6.660 3.502 1.00 0.00 O ATOM 272 CB PRO A 18 3.683 -8.846 3.493 1.00 0.00 C ATOM 273 CG PRO A 18 4.743 -7.765 3.356 1.00 0.00 C ATOM 274 CD PRO A 18 4.456 -6.991 2.080 1.00 0.00 C ATOM 0 HA PRO A 18 2.199 -9.378 2.015 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.293 -8.884 4.510 1.00 0.00 H new ATOM 0 HB3 PRO A 18 4.098 -9.830 3.274 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.723 -7.099 4.219 1.00 0.00 H new ATOM 0 HG3 PRO A 18 5.738 -8.208 3.318 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.348 -5.925 2.280 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.267 -7.100 1.360 1.00 0.00 H new ATOM 282 N LYS A 19 0.335 -8.656 3.343 1.00 0.00 N ATOM 283 CA LYS A 19 -0.892 -8.184 3.963 1.00 0.00 C ATOM 284 C LYS A 19 -0.544 -7.257 5.129 1.00 0.00 C ATOM 285 O LYS A 19 -1.200 -6.236 5.333 1.00 0.00 O ATOM 286 CB LYS A 19 -1.781 -9.364 4.359 1.00 0.00 C ATOM 287 CG LYS A 19 -3.262 -9.008 4.215 1.00 0.00 C ATOM 288 CD LYS A 19 -4.144 -10.032 4.931 1.00 0.00 C ATOM 289 CE LYS A 19 -5.483 -9.413 5.337 1.00 0.00 C ATOM 290 NZ LYS A 19 -6.245 -10.346 6.197 1.00 0.00 N ATOM 0 H LYS A 19 0.323 -9.637 3.066 1.00 0.00 H new ATOM 0 HA LYS A 19 -1.477 -7.599 3.253 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.548 -10.225 3.733 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -1.571 -9.652 5.389 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.443 -8.015 4.627 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.529 -8.968 3.159 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.318 -10.887 4.278 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.629 -10.406 5.816 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.312 -8.477 5.868 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.064 -9.172 4.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.151 -9.911 6.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.425 -11.229 5.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.695 -10.555 7.055 1.00 0.00 H new ATOM 304 N ALA A 20 0.487 -7.645 5.866 1.00 0.00 N ATOM 305 CA ALA A 20 0.929 -6.862 7.007 1.00 0.00 C ATOM 306 C ALA A 20 2.380 -6.429 6.791 1.00 0.00 C ATOM 307 O ALA A 20 3.167 -7.160 6.190 1.00 0.00 O ATOM 308 CB ALA A 20 0.749 -7.679 8.288 1.00 0.00 C ATOM 0 H ALA A 20 1.029 -8.492 5.695 1.00 0.00 H new ATOM 0 HA ALA A 20 0.327 -5.959 7.109 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.081 -7.091 9.144 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.303 -7.937 8.410 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.341 -8.592 8.223 1.00 0.00 H new ATOM 314 N LEU A 21 2.691 -5.243 7.293 1.00 0.00 N ATOM 315 CA LEU A 21 4.035 -4.704 7.162 1.00 0.00 C ATOM 316 C LEU A 21 4.399 -3.940 8.437 1.00 0.00 C ATOM 317 O LEU A 21 3.557 -3.254 9.015 1.00 0.00 O ATOM 318 CB LEU A 21 4.155 -3.867 5.887 1.00 0.00 C ATOM 319 CG LEU A 21 5.313 -2.868 5.848 1.00 0.00 C ATOM 320 CD1 LEU A 21 6.657 -3.580 6.008 1.00 0.00 C ATOM 321 CD2 LEU A 21 5.261 -2.020 4.575 1.00 0.00 C ATOM 0 H LEU A 21 2.036 -4.640 7.791 1.00 0.00 H new ATOM 0 HA LEU A 21 4.761 -5.510 7.055 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.257 -4.545 5.039 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.223 -3.319 5.747 1.00 0.00 H new ATOM 0 HG LEU A 21 5.207 -2.188 6.693 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.463 -2.847 5.977 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.680 -4.104 6.964 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.787 -4.297 5.198 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.095 -1.318 4.571 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.330 -2.669 3.702 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.322 -1.468 4.544 1.00 0.00 H new ATOM 333 N SER A 22 5.653 -4.084 8.837 1.00 0.00 N ATOM 334 CA SER A 22 6.139 -3.415 10.032 1.00 0.00 C ATOM 335 C SER A 22 7.443 -2.676 9.725 1.00 0.00 C ATOM 336 O SER A 22 8.263 -3.155 8.944 1.00 0.00 O ATOM 337 CB SER A 22 6.350 -4.412 11.174 1.00 0.00 C ATOM 338 OG SER A 22 6.523 -3.759 12.428 1.00 0.00 O ATOM 0 H SER A 22 6.348 -4.654 8.355 1.00 0.00 H new ATOM 0 HA SER A 22 5.386 -2.693 10.350 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.494 -5.085 11.231 1.00 0.00 H new ATOM 0 HB3 SER A 22 7.225 -5.027 10.962 1.00 0.00 H new ATOM 0 HG SER A 22 6.653 -4.430 13.131 1.00 0.00 H new ATOM 344 N ILE A 23 7.594 -1.521 10.357 1.00 0.00 N ATOM 345 CA ILE A 23 8.784 -0.711 10.161 1.00 0.00 C ATOM 346 C ILE A 23 9.002 0.172 11.391 1.00 0.00 C ATOM 347 O ILE A 23 8.252 0.087 12.362 1.00 0.00 O ATOM 348 CB ILE A 23 8.690 0.072 8.851 1.00 0.00 C ATOM 349 CG1 ILE A 23 7.609 1.152 8.934 1.00 0.00 C ATOM 350 CG2 ILE A 23 8.470 -0.869 7.664 1.00 0.00 C ATOM 351 CD1 ILE A 23 7.871 2.269 7.922 1.00 0.00 C ATOM 0 H ILE A 23 6.912 -1.127 11.005 1.00 0.00 H new ATOM 0 HA ILE A 23 9.665 -1.346 10.063 1.00 0.00 H new ATOM 0 HB ILE A 23 9.641 0.580 8.688 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.631 0.708 8.746 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.582 1.568 9.941 1.00 0.00 H new ATOM 0 HG21 ILE A 23 8.407 -0.287 6.745 1.00 0.00 H new ATOM 0 HG22 ILE A 23 9.304 -1.568 7.594 1.00 0.00 H new ATOM 0 HG23 ILE A 23 7.543 -1.424 7.807 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.088 3.023 8.002 1.00 0.00 H new ATOM 0 HD12 ILE A 23 8.839 2.727 8.128 1.00 0.00 H new ATOM 0 HD13 ILE A 23 7.873 1.854 6.914 1.00 0.00 H new ATOM 363 N SER A 24 10.034 1.000 11.310 1.00 0.00 N ATOM 364 CA SER A 24 10.360 1.898 12.405 1.00 0.00 C ATOM 365 C SER A 24 10.309 3.350 11.923 1.00 0.00 C ATOM 366 O SER A 24 10.420 3.615 10.727 1.00 0.00 O ATOM 367 CB SER A 24 11.739 1.580 12.985 1.00 0.00 C ATOM 368 OG SER A 24 11.913 0.184 13.214 1.00 0.00 O ATOM 0 H SER A 24 10.655 1.068 10.503 1.00 0.00 H new ATOM 0 HA SER A 24 9.622 1.757 13.195 1.00 0.00 H new ATOM 0 HB2 SER A 24 12.510 1.934 12.301 1.00 0.00 H new ATOM 0 HB3 SER A 24 11.871 2.120 13.922 1.00 0.00 H new ATOM 0 HG SER A 24 11.289 -0.114 13.908 1.00 0.00 H new ATOM 374 N ALA A 25 10.141 4.251 12.880 1.00 0.00 N ATOM 375 CA ALA A 25 10.074 5.669 12.568 1.00 0.00 C ATOM 376 C ALA A 25 11.358 6.090 11.852 1.00 0.00 C ATOM 377 O ALA A 25 12.409 6.218 12.477 1.00 0.00 O ATOM 378 CB ALA A 25 9.836 6.463 13.854 1.00 0.00 C ATOM 0 H ALA A 25 10.049 4.027 13.871 1.00 0.00 H new ATOM 0 HA ALA A 25 9.240 5.876 11.898 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.786 7.527 13.621 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.897 6.146 14.309 1.00 0.00 H new ATOM 0 HB3 ALA A 25 10.655 6.283 14.550 1.00 0.00 H new ATOM 384 N GLY A 26 11.230 6.296 10.549 1.00 0.00 N ATOM 385 CA GLY A 26 12.368 6.700 9.740 1.00 0.00 C ATOM 386 C GLY A 26 12.583 5.733 8.574 1.00 0.00 C ATOM 387 O GLY A 26 13.413 5.983 7.701 1.00 0.00 O ATOM 0 H GLY A 26 10.356 6.191 10.034 1.00 0.00 H new ATOM 0 HA2 GLY A 26 12.207 7.707 9.357 1.00 0.00 H new ATOM 0 HA3 GLY A 26 13.265 6.734 10.359 1.00 0.00 H new ATOM 391 N ASP A 27 11.821 4.650 8.597 1.00 0.00 N ATOM 392 CA ASP A 27 11.918 3.644 7.553 1.00 0.00 C ATOM 393 C ASP A 27 11.091 4.089 6.344 1.00 0.00 C ATOM 394 O ASP A 27 10.395 5.101 6.403 1.00 0.00 O ATOM 395 CB ASP A 27 11.369 2.299 8.031 1.00 0.00 C ATOM 396 CG ASP A 27 12.313 1.499 8.932 1.00 0.00 C ATOM 397 OD1 ASP A 27 13.182 2.144 9.558 1.00 0.00 O ATOM 398 OD2 ASP A 27 12.144 0.262 8.975 1.00 0.00 O ATOM 0 H ASP A 27 11.133 4.447 9.322 1.00 0.00 H new ATOM 0 HA ASP A 27 12.970 3.531 7.290 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.438 2.474 8.570 1.00 0.00 H new ATOM 0 HB3 ASP A 27 11.123 1.693 7.159 1.00 0.00 H new ATOM 403 N THR A 28 11.197 3.311 5.277 1.00 0.00 N ATOM 404 CA THR A 28 10.468 3.612 4.057 1.00 0.00 C ATOM 405 C THR A 28 9.593 2.424 3.651 1.00 0.00 C ATOM 406 O THR A 28 9.892 1.282 3.997 1.00 0.00 O ATOM 407 CB THR A 28 11.484 4.012 2.985 1.00 0.00 C ATOM 408 OG1 THR A 28 12.340 4.940 3.648 1.00 0.00 O ATOM 409 CG2 THR A 28 10.853 4.829 1.856 1.00 0.00 C ATOM 0 H THR A 28 11.777 2.473 5.232 1.00 0.00 H new ATOM 0 HA THR A 28 9.782 4.446 4.203 1.00 0.00 H new ATOM 0 HB THR A 28 11.946 3.116 2.570 1.00 0.00 H new ATOM 0 HG1 THR A 28 11.868 5.790 3.772 1.00 0.00 H new ATOM 0 HG21 THR A 28 11.617 5.087 1.123 1.00 0.00 H new ATOM 0 HG22 THR A 28 10.071 4.241 1.375 1.00 0.00 H new ATOM 0 HG23 THR A 28 10.420 5.742 2.265 1.00 0.00 H new ATOM 417 N VAL A 29 8.531 2.734 2.923 1.00 0.00 N ATOM 418 CA VAL A 29 7.611 1.706 2.466 1.00 0.00 C ATOM 419 C VAL A 29 7.344 1.894 0.971 1.00 0.00 C ATOM 420 O VAL A 29 6.576 2.771 0.580 1.00 0.00 O ATOM 421 CB VAL A 29 6.334 1.733 3.310 1.00 0.00 C ATOM 422 CG1 VAL A 29 5.266 0.811 2.718 1.00 0.00 C ATOM 423 CG2 VAL A 29 6.631 1.367 4.765 1.00 0.00 C ATOM 0 H VAL A 29 8.287 3.682 2.638 1.00 0.00 H new ATOM 0 HA VAL A 29 8.049 0.716 2.596 1.00 0.00 H new ATOM 0 HB VAL A 29 5.943 2.750 3.294 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.369 0.849 3.337 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.023 1.138 1.707 1.00 0.00 H new ATOM 0 HG13 VAL A 29 5.644 -0.211 2.688 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.707 1.394 5.343 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.057 0.365 4.808 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.341 2.081 5.182 1.00 0.00 H new ATOM 433 N GLU A 30 7.993 1.055 0.177 1.00 0.00 N ATOM 434 CA GLU A 30 7.835 1.118 -1.266 1.00 0.00 C ATOM 435 C GLU A 30 6.525 0.449 -1.686 1.00 0.00 C ATOM 436 O GLU A 30 5.873 -0.209 -0.878 1.00 0.00 O ATOM 437 CB GLU A 30 9.030 0.478 -1.976 1.00 0.00 C ATOM 438 CG GLU A 30 9.109 0.934 -3.435 1.00 0.00 C ATOM 439 CD GLU A 30 10.532 0.789 -3.978 1.00 0.00 C ATOM 440 OE1 GLU A 30 11.398 1.564 -3.516 1.00 0.00 O ATOM 441 OE2 GLU A 30 10.722 -0.093 -4.843 1.00 0.00 O ATOM 0 H GLU A 30 8.629 0.328 0.505 1.00 0.00 H new ATOM 0 HA GLU A 30 7.796 2.166 -1.563 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.951 0.744 -1.458 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.943 -0.608 -1.935 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.422 0.344 -4.042 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.790 1.973 -3.513 1.00 0.00 H new ATOM 448 N PHE A 31 6.179 0.641 -2.951 1.00 0.00 N ATOM 449 CA PHE A 31 4.958 0.065 -3.488 1.00 0.00 C ATOM 450 C PHE A 31 5.128 -0.300 -4.965 1.00 0.00 C ATOM 451 O PHE A 31 5.433 0.561 -5.789 1.00 0.00 O ATOM 452 CB PHE A 31 3.867 1.129 -3.360 1.00 0.00 C ATOM 453 CG PHE A 31 3.364 1.336 -1.930 1.00 0.00 C ATOM 454 CD1 PHE A 31 4.062 2.127 -1.071 1.00 0.00 C ATOM 455 CD2 PHE A 31 2.219 0.728 -1.517 1.00 0.00 C ATOM 456 CE1 PHE A 31 3.595 2.318 0.256 1.00 0.00 C ATOM 457 CE2 PHE A 31 1.753 0.920 -0.190 1.00 0.00 C ATOM 458 CZ PHE A 31 2.451 1.711 0.669 1.00 0.00 C ATOM 0 H PHE A 31 6.723 1.187 -3.619 1.00 0.00 H new ATOM 0 HA PHE A 31 4.704 -0.844 -2.943 1.00 0.00 H new ATOM 0 HB2 PHE A 31 4.251 2.076 -3.740 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.025 0.849 -3.993 1.00 0.00 H new ATOM 0 HD1 PHE A 31 4.971 2.609 -1.398 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.665 0.100 -2.199 1.00 0.00 H new ATOM 0 HE1 PHE A 31 4.149 2.946 0.938 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.844 0.438 0.138 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.096 1.857 1.679 1.00 0.00 H new ATOM 468 N VAL A 32 4.923 -1.576 -5.254 1.00 0.00 N ATOM 469 CA VAL A 32 5.049 -2.065 -6.616 1.00 0.00 C ATOM 470 C VAL A 32 3.755 -2.773 -7.021 1.00 0.00 C ATOM 471 O VAL A 32 3.014 -3.258 -6.167 1.00 0.00 O ATOM 472 CB VAL A 32 6.284 -2.960 -6.738 1.00 0.00 C ATOM 473 CG1 VAL A 32 6.004 -4.359 -6.185 1.00 0.00 C ATOM 474 CG2 VAL A 32 6.768 -3.031 -8.188 1.00 0.00 C ATOM 0 H VAL A 32 4.670 -2.287 -4.568 1.00 0.00 H new ATOM 0 HA VAL A 32 5.195 -1.236 -7.308 1.00 0.00 H new ATOM 0 HB VAL A 32 7.080 -2.516 -6.140 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.898 -4.975 -6.284 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.728 -4.286 -5.133 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.186 -4.814 -6.744 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.647 -3.673 -8.247 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.977 -3.440 -8.816 1.00 0.00 H new ATOM 0 HG23 VAL A 32 7.026 -2.030 -8.535 1.00 0.00 H new ATOM 484 N MET A 33 3.522 -2.811 -8.325 1.00 0.00 N ATOM 485 CA MET A 33 2.330 -3.452 -8.854 1.00 0.00 C ATOM 486 C MET A 33 2.636 -4.874 -9.328 1.00 0.00 C ATOM 487 O MET A 33 3.455 -5.070 -10.225 1.00 0.00 O ATOM 488 CB MET A 33 1.784 -2.630 -10.024 1.00 0.00 C ATOM 489 CG MET A 33 0.283 -2.383 -9.868 1.00 0.00 C ATOM 490 SD MET A 33 -0.276 -1.217 -11.098 1.00 0.00 S ATOM 491 CE MET A 33 -0.062 -2.197 -12.574 1.00 0.00 C ATOM 0 H MET A 33 4.139 -2.408 -9.031 1.00 0.00 H new ATOM 0 HA MET A 33 1.587 -3.506 -8.059 1.00 0.00 H new ATOM 0 HB2 MET A 33 2.309 -1.676 -10.079 1.00 0.00 H new ATOM 0 HB3 MET A 33 1.974 -3.154 -10.961 1.00 0.00 H new ATOM 0 HG2 MET A 33 -0.261 -3.322 -9.972 1.00 0.00 H new ATOM 0 HG3 MET A 33 0.071 -2.000 -8.870 1.00 0.00 H new ATOM 0 HE1 MET A 33 0.728 -1.763 -13.187 1.00 0.00 H new ATOM 0 HE2 MET A 33 0.211 -3.216 -12.298 1.00 0.00 H new ATOM 0 HE3 MET A 33 -0.994 -2.211 -13.140 1.00 0.00 H new ATOM 501 N ASN A 34 1.962 -5.829 -8.705 1.00 0.00 N ATOM 502 CA ASN A 34 2.152 -7.227 -9.051 1.00 0.00 C ATOM 503 C ASN A 34 1.364 -7.544 -10.324 1.00 0.00 C ATOM 504 O ASN A 34 1.950 -7.844 -11.363 1.00 0.00 O ATOM 505 CB ASN A 34 1.642 -8.145 -7.939 1.00 0.00 C ATOM 506 CG ASN A 34 2.804 -8.727 -7.132 1.00 0.00 C ATOM 507 OD1 ASN A 34 3.684 -8.023 -6.666 1.00 0.00 O ATOM 508 ND2 ASN A 34 2.758 -10.049 -6.994 1.00 0.00 N ATOM 0 H ASN A 34 1.283 -5.662 -7.962 1.00 0.00 H new ATOM 0 HA ASN A 34 3.219 -7.396 -9.196 1.00 0.00 H new ATOM 0 HB2 ASN A 34 0.979 -7.587 -7.278 1.00 0.00 H new ATOM 0 HB3 ASN A 34 1.054 -8.954 -8.372 1.00 0.00 H new ATOM 0 HD21 ASN A 34 3.489 -10.533 -6.472 1.00 0.00 H new ATOM 0 HD22 ASN A 34 1.992 -10.579 -7.410 1.00 0.00 H new ATOM 515 N LYS A 35 0.047 -7.467 -10.201 1.00 0.00 N ATOM 516 CA LYS A 35 -0.827 -7.742 -11.328 1.00 0.00 C ATOM 517 C LYS A 35 -2.253 -7.312 -10.979 1.00 0.00 C ATOM 518 O LYS A 35 -2.471 -6.619 -9.987 1.00 0.00 O ATOM 519 CB LYS A 35 -0.713 -9.208 -11.750 1.00 0.00 C ATOM 520 CG LYS A 35 -1.071 -10.142 -10.592 1.00 0.00 C ATOM 521 CD LYS A 35 0.032 -11.175 -10.359 1.00 0.00 C ATOM 522 CE LYS A 35 -0.267 -12.475 -11.109 1.00 0.00 C ATOM 523 NZ LYS A 35 0.500 -12.532 -12.373 1.00 0.00 N ATOM 0 H LYS A 35 -0.436 -7.218 -9.338 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.522 -7.160 -12.197 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.375 -9.400 -12.594 1.00 0.00 H new ATOM 0 HB3 LYS A 35 0.302 -9.415 -12.088 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.225 -9.559 -9.684 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.011 -10.651 -10.808 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.989 -10.772 -10.690 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.124 -11.379 -9.292 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.012 -13.330 -10.483 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -1.334 -12.542 -11.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 0.286 -13.420 -12.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.237 -11.726 -12.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.518 -12.489 -12.164 1.00 0.00 H new ATOM 537 N VAL A 36 -3.188 -7.742 -11.814 1.00 0.00 N ATOM 538 CA VAL A 36 -4.587 -7.410 -11.606 1.00 0.00 C ATOM 539 C VAL A 36 -4.711 -5.920 -11.284 1.00 0.00 C ATOM 540 O VAL A 36 -5.283 -5.548 -10.260 1.00 0.00 O ATOM 541 CB VAL A 36 -5.182 -8.308 -10.518 1.00 0.00 C ATOM 542 CG1 VAL A 36 -4.445 -8.122 -9.190 1.00 0.00 C ATOM 543 CG2 VAL A 36 -6.681 -8.052 -10.355 1.00 0.00 C ATOM 0 H VAL A 36 -3.004 -8.317 -12.636 1.00 0.00 H new ATOM 0 HA VAL A 36 -5.162 -7.596 -12.513 1.00 0.00 H new ATOM 0 HB VAL A 36 -5.052 -9.344 -10.830 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -4.887 -8.771 -8.434 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.393 -8.379 -9.318 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -4.528 -7.083 -8.870 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -7.079 -8.703 -9.576 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -6.844 -7.011 -10.076 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -7.190 -8.260 -11.296 1.00 0.00 H new ATOM 553 N GLY A 37 -4.166 -5.107 -12.177 1.00 0.00 N ATOM 554 CA GLY A 37 -4.209 -3.665 -12.001 1.00 0.00 C ATOM 555 C GLY A 37 -5.424 -3.062 -12.708 1.00 0.00 C ATOM 556 O GLY A 37 -6.283 -3.789 -13.202 1.00 0.00 O ATOM 0 H GLY A 37 -3.692 -5.419 -13.025 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.247 -3.426 -10.938 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.296 -3.220 -12.396 1.00 0.00 H new ATOM 560 N PRO A 38 -5.457 -1.702 -12.735 1.00 0.00 N ATOM 561 CA PRO A 38 -4.398 -0.916 -12.125 1.00 0.00 C ATOM 562 C PRO A 38 -4.518 -0.924 -10.600 1.00 0.00 C ATOM 563 O PRO A 38 -5.292 -1.697 -10.038 1.00 0.00 O ATOM 564 CB PRO A 38 -4.544 0.473 -12.726 1.00 0.00 C ATOM 565 CG PRO A 38 -5.954 0.536 -13.290 1.00 0.00 C ATOM 566 CD PRO A 38 -6.499 -0.881 -13.343 1.00 0.00 C ATOM 0 HA PRO A 38 -3.405 -1.320 -12.325 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -4.391 1.244 -11.971 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -3.803 0.641 -13.507 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -6.587 1.165 -12.665 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.947 0.980 -14.286 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -7.438 -0.965 -12.796 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -6.699 -1.190 -14.369 1.00 0.00 H new ATOM 574 N HIS A 39 -3.740 -0.053 -9.973 1.00 0.00 N ATOM 575 CA HIS A 39 -3.750 0.050 -8.524 1.00 0.00 C ATOM 576 C HIS A 39 -3.559 1.511 -8.112 1.00 0.00 C ATOM 577 O HIS A 39 -3.603 2.408 -8.953 1.00 0.00 O ATOM 578 CB HIS A 39 -2.704 -0.881 -7.906 1.00 0.00 C ATOM 579 CG HIS A 39 -2.944 -2.345 -8.186 1.00 0.00 C ATOM 580 ND1 HIS A 39 -3.556 -3.192 -7.278 1.00 0.00 N ATOM 581 CD2 HIS A 39 -2.650 -3.103 -9.281 1.00 0.00 C ATOM 582 CE1 HIS A 39 -3.621 -4.402 -7.813 1.00 0.00 C ATOM 583 NE2 HIS A 39 -3.058 -4.345 -9.054 1.00 0.00 N ATOM 0 H HIS A 39 -3.099 0.587 -10.442 1.00 0.00 H new ATOM 0 HA HIS A 39 -4.716 -0.277 -8.139 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -1.719 -0.606 -8.284 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -2.686 -0.726 -6.827 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -2.167 -2.752 -10.181 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -4.045 -5.280 -7.348 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -2.966 -5.128 -9.701 1.00 0.00 H new ATOM 591 N ASN A 40 -3.351 1.706 -6.818 1.00 0.00 N ATOM 592 CA ASN A 40 -3.153 3.043 -6.285 1.00 0.00 C ATOM 593 C ASN A 40 -3.088 2.974 -4.757 1.00 0.00 C ATOM 594 O ASN A 40 -3.431 1.952 -4.164 1.00 0.00 O ATOM 595 CB ASN A 40 -4.313 3.965 -6.667 1.00 0.00 C ATOM 596 CG ASN A 40 -5.645 3.215 -6.631 1.00 0.00 C ATOM 597 OD1 ASN A 40 -5.736 2.079 -6.195 1.00 0.00 O ATOM 598 ND2 ASN A 40 -6.671 3.910 -7.114 1.00 0.00 N ATOM 0 H ASN A 40 -3.315 0.960 -6.123 1.00 0.00 H new ATOM 0 HA ASN A 40 -2.226 3.438 -6.700 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -4.350 4.812 -5.982 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -4.147 4.370 -7.665 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -7.603 3.496 -7.135 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -6.526 4.857 -7.464 1.00 0.00 H new ATOM 605 N VAL A 41 -2.645 4.073 -4.165 1.00 0.00 N ATOM 606 CA VAL A 41 -2.531 4.150 -2.719 1.00 0.00 C ATOM 607 C VAL A 41 -3.681 4.992 -2.164 1.00 0.00 C ATOM 608 O VAL A 41 -3.762 6.190 -2.430 1.00 0.00 O ATOM 609 CB VAL A 41 -1.153 4.691 -2.331 1.00 0.00 C ATOM 610 CG1 VAL A 41 -1.000 4.763 -0.810 1.00 0.00 C ATOM 611 CG2 VAL A 41 -0.038 3.849 -2.955 1.00 0.00 C ATOM 0 H VAL A 41 -2.361 4.918 -4.661 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.613 3.157 -2.277 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.068 5.704 -2.724 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.012 5.151 -0.562 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.763 5.424 -0.398 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.116 3.766 -0.385 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.931 4.255 -2.664 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.120 2.820 -2.606 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.129 3.872 -4.041 1.00 0.00 H new ATOM 621 N ILE A 42 -4.543 4.332 -1.405 1.00 0.00 N ATOM 622 CA ILE A 42 -5.685 5.005 -0.810 1.00 0.00 C ATOM 623 C ILE A 42 -5.784 4.623 0.668 1.00 0.00 C ATOM 624 O ILE A 42 -6.632 3.818 1.050 1.00 0.00 O ATOM 625 CB ILE A 42 -6.957 4.708 -1.608 1.00 0.00 C ATOM 626 CG1 ILE A 42 -6.690 4.782 -3.113 1.00 0.00 C ATOM 627 CG2 ILE A 42 -8.100 5.631 -1.182 1.00 0.00 C ATOM 628 CD1 ILE A 42 -6.602 6.235 -3.583 1.00 0.00 C ATOM 0 H ILE A 42 -4.474 3.338 -1.188 1.00 0.00 H new ATOM 0 HA ILE A 42 -5.554 6.086 -0.852 1.00 0.00 H new ATOM 0 HB ILE A 42 -7.269 3.687 -1.386 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -5.760 4.263 -3.347 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -7.486 4.269 -3.653 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -8.992 5.399 -1.764 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -8.310 5.485 -0.123 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -7.814 6.668 -1.355 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -6.412 6.259 -4.656 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -7.542 6.744 -3.369 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.790 6.738 -3.059 1.00 0.00 H new ATOM 640 N PHE A 43 -4.906 5.220 1.460 1.00 0.00 N ATOM 641 CA PHE A 43 -4.883 4.954 2.888 1.00 0.00 C ATOM 642 C PHE A 43 -6.291 5.033 3.483 1.00 0.00 C ATOM 643 O PHE A 43 -7.188 5.625 2.886 1.00 0.00 O ATOM 644 CB PHE A 43 -4.009 6.032 3.531 1.00 0.00 C ATOM 645 CG PHE A 43 -2.518 5.894 3.215 1.00 0.00 C ATOM 646 CD1 PHE A 43 -1.717 5.150 4.023 1.00 0.00 C ATOM 647 CD2 PHE A 43 -1.994 6.517 2.125 1.00 0.00 C ATOM 648 CE1 PHE A 43 -0.334 5.023 3.730 1.00 0.00 C ATOM 649 CE2 PHE A 43 -0.611 6.389 1.831 1.00 0.00 C ATOM 650 CZ PHE A 43 0.190 5.645 2.640 1.00 0.00 C ATOM 0 H PHE A 43 -4.205 5.888 1.140 1.00 0.00 H new ATOM 0 HA PHE A 43 -4.495 3.953 3.073 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -4.352 7.011 3.196 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -4.146 5.999 4.612 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -2.133 4.655 4.888 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -2.630 7.109 1.483 1.00 0.00 H new ATOM 0 HE1 PHE A 43 0.302 4.432 4.373 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -0.195 6.882 0.965 1.00 0.00 H new ATOM 0 HZ PHE A 43 1.242 5.548 2.417 1.00 0.00 H new ATOM 660 N ASP A 44 -6.439 4.429 4.653 1.00 0.00 N ATOM 661 CA ASP A 44 -7.722 4.424 5.335 1.00 0.00 C ATOM 662 C ASP A 44 -7.745 5.545 6.377 1.00 0.00 C ATOM 663 O ASP A 44 -8.686 6.336 6.423 1.00 0.00 O ATOM 664 CB ASP A 44 -7.955 3.098 6.062 1.00 0.00 C ATOM 665 CG ASP A 44 -9.414 2.643 6.125 1.00 0.00 C ATOM 666 OD1 ASP A 44 -9.983 2.407 5.038 1.00 0.00 O ATOM 667 OD2 ASP A 44 -9.928 2.542 7.260 1.00 0.00 O ATOM 0 H ASP A 44 -5.692 3.940 5.146 1.00 0.00 H new ATOM 0 HA ASP A 44 -8.502 4.567 4.587 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -7.369 2.323 5.568 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -7.574 3.187 7.079 1.00 0.00 H new ATOM 672 N LYS A 45 -6.698 5.576 7.188 1.00 0.00 N ATOM 673 CA LYS A 45 -6.586 6.586 8.226 1.00 0.00 C ATOM 674 C LYS A 45 -5.465 6.197 9.192 1.00 0.00 C ATOM 675 O LYS A 45 -5.272 5.017 9.482 1.00 0.00 O ATOM 676 CB LYS A 45 -7.937 6.805 8.909 1.00 0.00 C ATOM 677 CG LYS A 45 -8.509 8.182 8.564 1.00 0.00 C ATOM 678 CD LYS A 45 -9.400 8.704 9.693 1.00 0.00 C ATOM 679 CE LYS A 45 -10.392 9.745 9.172 1.00 0.00 C ATOM 680 NZ LYS A 45 -11.405 10.059 10.205 1.00 0.00 N ATOM 0 H LYS A 45 -5.920 4.918 7.147 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.314 7.548 7.792 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.636 6.029 8.598 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.821 6.716 9.989 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.694 8.884 8.385 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -9.085 8.120 7.641 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.943 7.874 10.146 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.782 9.145 10.475 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -9.860 10.653 8.888 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -10.884 9.370 8.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -12.070 10.767 9.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -11.925 9.194 10.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -10.933 10.437 11.051 1.00 0.00 H new ATOM 694 N VAL A 46 -4.754 7.211 9.664 1.00 0.00 N ATOM 695 CA VAL A 46 -3.657 6.989 10.591 1.00 0.00 C ATOM 696 C VAL A 46 -3.836 7.894 11.811 1.00 0.00 C ATOM 697 O VAL A 46 -4.526 8.910 11.739 1.00 0.00 O ATOM 698 CB VAL A 46 -2.320 7.202 9.879 1.00 0.00 C ATOM 699 CG1 VAL A 46 -2.228 6.344 8.615 1.00 0.00 C ATOM 700 CG2 VAL A 46 -2.100 8.681 9.555 1.00 0.00 C ATOM 0 H VAL A 46 -4.916 8.188 9.422 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.660 5.959 10.947 1.00 0.00 H new ATOM 0 HB VAL A 46 -1.527 6.886 10.556 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.268 6.515 8.128 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.317 5.291 8.883 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.034 6.614 7.932 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.142 8.804 9.049 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.901 9.034 8.906 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.100 9.260 10.479 1.00 0.00 H new ATOM 710 N PRO A 47 -3.185 7.483 12.932 1.00 0.00 N ATOM 711 CA PRO A 47 -3.266 8.245 14.166 1.00 0.00 C ATOM 712 C PRO A 47 -2.405 9.508 14.088 1.00 0.00 C ATOM 713 O PRO A 47 -1.548 9.626 13.214 1.00 0.00 O ATOM 714 CB PRO A 47 -2.812 7.284 15.253 1.00 0.00 C ATOM 715 CG PRO A 47 -2.056 6.175 14.539 1.00 0.00 C ATOM 716 CD PRO A 47 -2.359 6.286 13.054 1.00 0.00 C ATOM 0 HA PRO A 47 -4.273 8.609 14.370 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -2.173 7.788 15.978 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -3.665 6.885 15.802 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -0.985 6.267 14.718 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -2.360 5.200 14.919 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -1.444 6.375 12.469 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.885 5.403 12.690 1.00 0.00 H new ATOM 724 N ALA A 48 -2.663 10.420 15.014 1.00 0.00 N ATOM 725 CA ALA A 48 -1.923 11.669 15.061 1.00 0.00 C ATOM 726 C ALA A 48 -0.447 11.394 14.763 1.00 0.00 C ATOM 727 O ALA A 48 0.128 10.442 15.288 1.00 0.00 O ATOM 728 CB ALA A 48 -2.128 12.334 16.424 1.00 0.00 C ATOM 0 H ALA A 48 -3.375 10.318 15.738 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.290 12.361 14.302 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.573 13.271 16.459 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.189 12.535 16.575 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.769 11.670 17.210 1.00 0.00 H new ATOM 734 N GLY A 49 0.122 12.245 13.922 1.00 0.00 N ATOM 735 CA GLY A 49 1.519 12.106 13.549 1.00 0.00 C ATOM 736 C GLY A 49 1.698 12.242 12.035 1.00 0.00 C ATOM 737 O GLY A 49 2.459 13.090 11.571 1.00 0.00 O ATOM 0 H GLY A 49 -0.359 13.033 13.488 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.113 12.865 14.059 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.892 11.136 13.877 1.00 0.00 H new ATOM 741 N GLU A 50 0.985 11.394 11.309 1.00 0.00 N ATOM 742 CA GLU A 50 1.056 11.409 9.858 1.00 0.00 C ATOM 743 C GLU A 50 -0.265 11.907 9.267 1.00 0.00 C ATOM 744 O GLU A 50 -1.153 12.339 10.000 1.00 0.00 O ATOM 745 CB GLU A 50 1.414 10.026 9.312 1.00 0.00 C ATOM 746 CG GLU A 50 2.654 10.093 8.418 1.00 0.00 C ATOM 747 CD GLU A 50 2.263 10.147 6.940 1.00 0.00 C ATOM 748 OE1 GLU A 50 2.074 9.055 6.363 1.00 0.00 O ATOM 749 OE2 GLU A 50 2.161 11.280 6.421 1.00 0.00 O ATOM 0 H GLU A 50 0.355 10.692 11.698 1.00 0.00 H new ATOM 0 HA GLU A 50 1.847 12.097 9.560 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.595 9.340 10.140 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.573 9.626 8.745 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.244 10.973 8.674 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.285 9.223 8.599 1.00 0.00 H new ATOM 756 N SER A 51 -0.354 11.828 7.947 1.00 0.00 N ATOM 757 CA SER A 51 -1.551 12.265 7.250 1.00 0.00 C ATOM 758 C SER A 51 -1.973 11.211 6.224 1.00 0.00 C ATOM 759 O SER A 51 -1.731 11.372 5.028 1.00 0.00 O ATOM 760 CB SER A 51 -1.328 13.614 6.565 1.00 0.00 C ATOM 761 OG SER A 51 -1.374 14.697 7.490 1.00 0.00 O ATOM 0 H SER A 51 0.384 11.468 7.342 1.00 0.00 H new ATOM 0 HA SER A 51 -2.348 12.388 7.983 1.00 0.00 H new ATOM 0 HB2 SER A 51 -0.362 13.609 6.061 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.088 13.761 5.797 1.00 0.00 H new ATOM 0 HG SER A 51 -1.225 15.541 7.014 1.00 0.00 H new ATOM 767 N ALA A 52 -2.595 10.156 6.728 1.00 0.00 N ATOM 768 CA ALA A 52 -3.053 9.076 5.870 1.00 0.00 C ATOM 769 C ALA A 52 -3.915 9.654 4.746 1.00 0.00 C ATOM 770 O ALA A 52 -3.678 9.377 3.571 1.00 0.00 O ATOM 771 CB ALA A 52 -3.805 8.041 6.708 1.00 0.00 C ATOM 0 H ALA A 52 -2.793 10.026 7.720 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.206 8.568 5.408 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.148 7.231 6.064 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.140 7.639 7.473 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.663 8.514 7.185 1.00 0.00 H new ATOM 777 N PRO A 53 -4.924 10.468 5.156 1.00 0.00 N ATOM 778 CA PRO A 53 -5.824 11.087 4.198 1.00 0.00 C ATOM 779 C PRO A 53 -5.137 12.247 3.472 1.00 0.00 C ATOM 780 O PRO A 53 -5.679 13.349 3.406 1.00 0.00 O ATOM 781 CB PRO A 53 -7.028 11.527 5.014 1.00 0.00 C ATOM 782 CG PRO A 53 -6.561 11.558 6.461 1.00 0.00 C ATOM 783 CD PRO A 53 -5.235 10.819 6.539 1.00 0.00 C ATOM 0 HA PRO A 53 -6.127 10.404 3.404 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -7.378 12.509 4.695 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -7.860 10.835 4.887 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -6.445 12.587 6.803 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -7.299 11.087 7.110 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -4.457 11.447 6.973 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -5.313 9.930 7.165 1.00 0.00 H new ATOM 791 N ALA A 54 -3.956 11.958 2.947 1.00 0.00 N ATOM 792 CA ALA A 54 -3.190 12.962 2.229 1.00 0.00 C ATOM 793 C ALA A 54 -2.207 12.269 1.283 1.00 0.00 C ATOM 794 O ALA A 54 -2.082 12.653 0.121 1.00 0.00 O ATOM 795 CB ALA A 54 -2.487 13.881 3.230 1.00 0.00 C ATOM 0 H ALA A 54 -3.510 11.042 3.005 1.00 0.00 H new ATOM 0 HA ALA A 54 -3.848 13.584 1.622 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.912 14.634 2.691 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.231 14.372 3.857 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.816 13.292 3.856 1.00 0.00 H new ATOM 801 N LEU A 55 -1.535 11.260 1.817 1.00 0.00 N ATOM 802 CA LEU A 55 -0.567 10.509 1.035 1.00 0.00 C ATOM 803 C LEU A 55 -1.294 9.753 -0.079 1.00 0.00 C ATOM 804 O LEU A 55 -0.713 9.478 -1.128 1.00 0.00 O ATOM 805 CB LEU A 55 0.273 9.608 1.943 1.00 0.00 C ATOM 806 CG LEU A 55 1.546 10.234 2.517 1.00 0.00 C ATOM 807 CD1 LEU A 55 2.144 9.351 3.614 1.00 0.00 C ATOM 808 CD2 LEU A 55 2.556 10.536 1.409 1.00 0.00 C ATOM 0 H LEU A 55 -1.641 10.945 2.781 1.00 0.00 H new ATOM 0 HA LEU A 55 0.140 11.185 0.554 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.352 9.278 2.773 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.552 8.717 1.380 1.00 0.00 H new ATOM 0 HG LEU A 55 1.281 11.185 2.978 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.048 9.818 4.005 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.420 9.231 4.420 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.391 8.374 3.200 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.451 10.980 1.844 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.822 9.611 0.897 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.116 11.232 0.695 1.00 0.00 H new ATOM 820 N SER A 56 -2.553 9.439 0.187 1.00 0.00 N ATOM 821 CA SER A 56 -3.365 8.720 -0.780 1.00 0.00 C ATOM 822 C SER A 56 -3.205 9.346 -2.166 1.00 0.00 C ATOM 823 O SER A 56 -3.591 10.494 -2.381 1.00 0.00 O ATOM 824 CB SER A 56 -4.838 8.714 -0.366 1.00 0.00 C ATOM 825 OG SER A 56 -5.013 8.280 0.979 1.00 0.00 O ATOM 0 H SER A 56 -3.031 9.669 1.058 1.00 0.00 H new ATOM 0 HA SER A 56 -3.021 7.686 -0.814 1.00 0.00 H new ATOM 0 HB2 SER A 56 -5.251 9.716 -0.480 1.00 0.00 H new ATOM 0 HB3 SER A 56 -5.399 8.060 -1.034 1.00 0.00 H new ATOM 0 HG SER A 56 -5.966 8.292 1.205 1.00 0.00 H new ATOM 831 N ASN A 57 -2.635 8.565 -3.072 1.00 0.00 N ATOM 832 CA ASN A 57 -2.420 9.029 -4.432 1.00 0.00 C ATOM 833 C ASN A 57 -3.395 8.316 -5.370 1.00 0.00 C ATOM 834 O ASN A 57 -3.352 7.094 -5.505 1.00 0.00 O ATOM 835 CB ASN A 57 -0.998 8.716 -4.902 1.00 0.00 C ATOM 836 CG ASN A 57 -0.254 9.995 -5.290 1.00 0.00 C ATOM 837 OD1 ASN A 57 -0.668 11.102 -4.984 1.00 0.00 O ATOM 838 ND2 ASN A 57 0.864 9.784 -5.979 1.00 0.00 N ATOM 0 H ASN A 57 -2.315 7.613 -2.891 1.00 0.00 H new ATOM 0 HA ASN A 57 -2.577 10.108 -4.449 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -0.455 8.201 -4.110 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -1.034 8.039 -5.756 1.00 0.00 H new ATOM 0 HD21 ASN A 57 1.432 10.574 -6.284 1.00 0.00 H new ATOM 0 HD22 ASN A 57 1.154 8.832 -6.202 1.00 0.00 H new ATOM 845 N THR A 58 -4.253 9.109 -5.995 1.00 0.00 N ATOM 846 CA THR A 58 -5.238 8.569 -6.916 1.00 0.00 C ATOM 847 C THR A 58 -4.668 8.518 -8.335 1.00 0.00 C ATOM 848 O THR A 58 -5.420 8.483 -9.309 1.00 0.00 O ATOM 849 CB THR A 58 -6.507 9.416 -6.801 1.00 0.00 C ATOM 850 OG1 THR A 58 -7.420 8.796 -7.703 1.00 0.00 O ATOM 851 CG2 THR A 58 -6.324 10.826 -7.366 1.00 0.00 C ATOM 0 H THR A 58 -4.286 10.122 -5.881 1.00 0.00 H new ATOM 0 HA THR A 58 -5.493 7.540 -6.664 1.00 0.00 H new ATOM 0 HB THR A 58 -6.807 9.481 -5.755 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.935 8.480 -8.494 1.00 0.00 H new ATOM 0 HG21 THR A 58 -7.254 11.384 -7.259 1.00 0.00 H new ATOM 0 HG22 THR A 58 -5.530 11.336 -6.821 1.00 0.00 H new ATOM 0 HG23 THR A 58 -6.057 10.763 -8.421 1.00 0.00 H new ATOM 859 N LYS A 59 -3.346 8.515 -8.408 1.00 0.00 N ATOM 860 CA LYS A 59 -2.667 8.469 -9.692 1.00 0.00 C ATOM 861 C LYS A 59 -2.521 7.011 -10.134 1.00 0.00 C ATOM 862 O LYS A 59 -1.407 6.503 -10.251 1.00 0.00 O ATOM 863 CB LYS A 59 -1.339 9.227 -9.624 1.00 0.00 C ATOM 864 CG LYS A 59 -0.706 9.348 -11.011 1.00 0.00 C ATOM 865 CD LYS A 59 0.808 9.549 -10.907 1.00 0.00 C ATOM 866 CE LYS A 59 1.392 10.015 -12.242 1.00 0.00 C ATOM 867 NZ LYS A 59 2.864 10.135 -12.150 1.00 0.00 N ATOM 0 H LYS A 59 -2.726 8.544 -7.599 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.258 8.977 -10.454 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -1.504 10.221 -9.208 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.655 8.709 -8.952 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.918 8.450 -11.591 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.152 10.186 -11.546 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.029 10.284 -10.133 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.282 8.616 -10.604 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.127 9.308 -13.028 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.959 10.976 -12.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.244 10.452 -13.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.111 10.827 -11.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.273 9.210 -11.907 1.00 0.00 H new ATOM 881 N LEU A 60 -3.662 6.380 -10.369 1.00 0.00 N ATOM 882 CA LEU A 60 -3.675 4.992 -10.796 1.00 0.00 C ATOM 883 C LEU A 60 -2.549 4.762 -11.806 1.00 0.00 C ATOM 884 O LEU A 60 -2.672 5.133 -12.973 1.00 0.00 O ATOM 885 CB LEU A 60 -5.060 4.606 -11.320 1.00 0.00 C ATOM 886 CG LEU A 60 -5.906 5.749 -11.884 1.00 0.00 C ATOM 887 CD1 LEU A 60 -6.575 5.340 -13.198 1.00 0.00 C ATOM 888 CD2 LEU A 60 -6.924 6.238 -10.851 1.00 0.00 C ATOM 0 H LEU A 60 -4.584 6.805 -10.272 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.484 4.332 -9.950 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.935 3.854 -12.099 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.615 4.135 -10.509 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.244 6.586 -12.107 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -7.170 6.171 -13.577 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.810 5.078 -13.929 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.222 4.480 -13.025 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.513 7.051 -11.277 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.585 5.417 -10.575 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.400 6.595 -9.965 1.00 0.00 H new ATOM 900 N ALA A 61 -1.478 4.153 -11.321 1.00 0.00 N ATOM 901 CA ALA A 61 -0.331 3.870 -12.167 1.00 0.00 C ATOM 902 C ALA A 61 -0.627 2.638 -13.025 1.00 0.00 C ATOM 903 O ALA A 61 -0.489 1.507 -12.561 1.00 0.00 O ATOM 904 CB ALA A 61 0.914 3.688 -11.296 1.00 0.00 C ATOM 0 H ALA A 61 -1.380 3.847 -10.353 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.138 4.704 -12.842 1.00 0.00 H new ATOM 0 HB1 ALA A 61 1.774 3.476 -11.931 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.098 4.601 -10.729 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.758 2.858 -10.607 1.00 0.00 H new ATOM 910 N ILE A 62 -1.028 2.900 -14.260 1.00 0.00 N ATOM 911 CA ILE A 62 -1.344 1.826 -15.187 1.00 0.00 C ATOM 912 C ILE A 62 -0.059 1.083 -15.558 1.00 0.00 C ATOM 913 O ILE A 62 -0.026 -0.146 -15.556 1.00 0.00 O ATOM 914 CB ILE A 62 -2.111 2.369 -16.394 1.00 0.00 C ATOM 915 CG1 ILE A 62 -3.307 3.214 -15.950 1.00 0.00 C ATOM 916 CG2 ILE A 62 -2.527 1.237 -17.335 1.00 0.00 C ATOM 917 CD1 ILE A 62 -4.525 2.333 -15.666 1.00 0.00 C ATOM 0 H ILE A 62 -1.141 3.840 -14.641 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.007 1.100 -14.717 1.00 0.00 H new ATOM 0 HB ILE A 62 -1.444 3.024 -16.954 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -3.046 3.779 -15.055 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -3.552 3.940 -16.725 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.070 1.651 -18.184 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -1.639 0.716 -17.692 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.169 0.537 -16.800 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -5.361 2.958 -15.352 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -4.798 1.788 -16.569 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -4.285 1.624 -14.874 1.00 0.00 H new ATOM 929 N ALA A 63 0.968 1.861 -15.868 1.00 0.00 N ATOM 930 CA ALA A 63 2.252 1.292 -16.240 1.00 0.00 C ATOM 931 C ALA A 63 2.807 0.485 -15.065 1.00 0.00 C ATOM 932 O ALA A 63 3.174 1.052 -14.036 1.00 0.00 O ATOM 933 CB ALA A 63 3.198 2.411 -16.678 1.00 0.00 C ATOM 0 H ALA A 63 0.937 2.881 -15.869 1.00 0.00 H new ATOM 0 HA ALA A 63 2.140 0.611 -17.084 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.161 1.984 -16.957 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.771 2.934 -17.534 1.00 0.00 H new ATOM 0 HB3 ALA A 63 3.337 3.113 -15.856 1.00 0.00 H new ATOM 939 N PRO A 64 2.854 -0.860 -15.261 1.00 0.00 N ATOM 940 CA PRO A 64 3.359 -1.750 -14.230 1.00 0.00 C ATOM 941 C PRO A 64 4.884 -1.676 -14.140 1.00 0.00 C ATOM 942 O PRO A 64 5.567 -1.615 -15.161 1.00 0.00 O ATOM 943 CB PRO A 64 2.853 -3.130 -14.619 1.00 0.00 C ATOM 944 CG PRO A 64 2.481 -3.038 -16.090 1.00 0.00 C ATOM 945 CD PRO A 64 2.428 -1.566 -16.467 1.00 0.00 C ATOM 0 HA PRO A 64 3.011 -1.479 -13.233 1.00 0.00 H new ATOM 0 HB2 PRO A 64 3.620 -3.887 -14.457 1.00 0.00 H new ATOM 0 HB3 PRO A 64 1.991 -3.415 -14.015 1.00 0.00 H new ATOM 0 HG2 PRO A 64 3.214 -3.563 -16.703 1.00 0.00 H new ATOM 0 HG3 PRO A 64 1.517 -3.513 -16.270 1.00 0.00 H new ATOM 0 HD2 PRO A 64 3.087 -1.348 -17.307 1.00 0.00 H new ATOM 0 HD3 PRO A 64 1.422 -1.269 -16.765 1.00 0.00 H new ATOM 953 N GLY A 65 5.374 -1.684 -12.909 1.00 0.00 N ATOM 954 CA GLY A 65 6.806 -1.618 -12.673 1.00 0.00 C ATOM 955 C GLY A 65 7.106 -1.366 -11.194 1.00 0.00 C ATOM 956 O GLY A 65 7.637 -2.238 -10.507 1.00 0.00 O ATOM 0 H GLY A 65 4.805 -1.735 -12.064 1.00 0.00 H new ATOM 0 HA2 GLY A 65 7.274 -2.550 -12.989 1.00 0.00 H new ATOM 0 HA3 GLY A 65 7.242 -0.822 -13.277 1.00 0.00 H new ATOM 960 N SER A 66 6.754 -0.170 -10.747 1.00 0.00 N ATOM 961 CA SER A 66 6.979 0.208 -9.362 1.00 0.00 C ATOM 962 C SER A 66 6.451 1.622 -9.113 1.00 0.00 C ATOM 963 O SER A 66 7.135 2.603 -9.400 1.00 0.00 O ATOM 964 CB SER A 66 8.464 0.124 -9.003 1.00 0.00 C ATOM 965 OG SER A 66 8.690 0.338 -7.612 1.00 0.00 O ATOM 0 H SER A 66 6.314 0.551 -11.320 1.00 0.00 H new ATOM 0 HA SER A 66 6.439 -0.492 -8.724 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.851 -0.855 -9.287 1.00 0.00 H new ATOM 0 HB3 SER A 66 9.019 0.865 -9.579 1.00 0.00 H new ATOM 0 HG SER A 66 9.650 0.275 -7.423 1.00 0.00 H new ATOM 971 N PHE A 67 5.240 1.682 -8.580 1.00 0.00 N ATOM 972 CA PHE A 67 4.612 2.960 -8.289 1.00 0.00 C ATOM 973 C PHE A 67 5.637 3.966 -7.763 1.00 0.00 C ATOM 974 O PHE A 67 6.205 4.740 -8.532 1.00 0.00 O ATOM 975 CB PHE A 67 3.562 2.706 -7.206 1.00 0.00 C ATOM 976 CG PHE A 67 2.143 2.517 -7.748 1.00 0.00 C ATOM 977 CD1 PHE A 67 1.710 1.277 -8.101 1.00 0.00 C ATOM 978 CD2 PHE A 67 1.315 3.588 -7.875 1.00 0.00 C ATOM 979 CE1 PHE A 67 0.394 1.101 -8.604 1.00 0.00 C ATOM 980 CE2 PHE A 67 -0.001 3.412 -8.378 1.00 0.00 C ATOM 981 CZ PHE A 67 -0.434 2.172 -8.731 1.00 0.00 C ATOM 0 H PHE A 67 4.676 0.866 -8.342 1.00 0.00 H new ATOM 0 HA PHE A 67 4.169 3.373 -9.196 1.00 0.00 H new ATOM 0 HB2 PHE A 67 3.845 1.818 -6.641 1.00 0.00 H new ATOM 0 HB3 PHE A 67 3.565 3.543 -6.508 1.00 0.00 H new ATOM 0 HD1 PHE A 67 2.367 0.426 -7.999 1.00 0.00 H new ATOM 0 HD2 PHE A 67 1.658 4.572 -7.593 1.00 0.00 H new ATOM 0 HE1 PHE A 67 0.051 0.117 -8.886 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -0.658 4.263 -8.480 1.00 0.00 H new ATOM 0 HZ PHE A 67 -1.436 2.038 -9.112 1.00 0.00 H new ATOM 991 N TYR A 68 5.843 3.924 -6.454 1.00 0.00 N ATOM 992 CA TYR A 68 6.790 4.822 -5.816 1.00 0.00 C ATOM 993 C TYR A 68 7.003 4.442 -4.350 1.00 0.00 C ATOM 994 O TYR A 68 6.342 3.541 -3.836 1.00 0.00 O ATOM 995 CB TYR A 68 6.160 6.215 -5.883 1.00 0.00 C ATOM 996 CG TYR A 68 4.682 6.249 -5.490 1.00 0.00 C ATOM 997 CD1 TYR A 68 4.308 5.995 -4.187 1.00 0.00 C ATOM 998 CD2 TYR A 68 3.722 6.533 -6.441 1.00 0.00 C ATOM 999 CE1 TYR A 68 2.916 6.027 -3.817 1.00 0.00 C ATOM 1000 CE2 TYR A 68 2.330 6.565 -6.071 1.00 0.00 C ATOM 1001 CZ TYR A 68 1.996 6.311 -4.778 1.00 0.00 C ATOM 1002 OH TYR A 68 0.682 6.341 -4.429 1.00 0.00 O ATOM 0 H TYR A 68 5.370 3.282 -5.818 1.00 0.00 H new ATOM 0 HA TYR A 68 7.758 4.776 -6.314 1.00 0.00 H new ATOM 0 HB2 TYR A 68 6.715 6.886 -5.227 1.00 0.00 H new ATOM 0 HB3 TYR A 68 6.265 6.602 -6.897 1.00 0.00 H new ATOM 0 HD1 TYR A 68 5.059 5.772 -3.444 1.00 0.00 H new ATOM 0 HD2 TYR A 68 4.014 6.731 -7.462 1.00 0.00 H new ATOM 0 HE1 TYR A 68 2.610 5.830 -2.800 1.00 0.00 H new ATOM 0 HE2 TYR A 68 1.569 6.786 -6.805 1.00 0.00 H new ATOM 0 HH TYR A 68 0.164 5.794 -5.056 1.00 0.00 H new ATOM 1012 N SER A 69 7.930 5.148 -3.717 1.00 0.00 N ATOM 1013 CA SER A 69 8.239 4.895 -2.320 1.00 0.00 C ATOM 1014 C SER A 69 7.971 6.152 -1.490 1.00 0.00 C ATOM 1015 O SER A 69 7.890 7.253 -2.032 1.00 0.00 O ATOM 1016 CB SER A 69 9.691 4.446 -2.150 1.00 0.00 C ATOM 1017 OG SER A 69 10.523 4.914 -3.208 1.00 0.00 O ATOM 0 H SER A 69 8.476 5.895 -4.146 1.00 0.00 H new ATOM 0 HA SER A 69 7.595 4.090 -1.967 1.00 0.00 H new ATOM 0 HB2 SER A 69 10.075 4.813 -1.198 1.00 0.00 H new ATOM 0 HB3 SER A 69 9.732 3.357 -2.112 1.00 0.00 H new ATOM 0 HG SER A 69 11.442 4.607 -3.061 1.00 0.00 H new ATOM 1023 N VAL A 70 7.841 5.946 -0.188 1.00 0.00 N ATOM 1024 CA VAL A 70 7.584 7.048 0.723 1.00 0.00 C ATOM 1025 C VAL A 70 8.104 6.687 2.115 1.00 0.00 C ATOM 1026 O VAL A 70 7.924 5.561 2.576 1.00 0.00 O ATOM 1027 CB VAL A 70 6.094 7.398 0.714 1.00 0.00 C ATOM 1028 CG1 VAL A 70 5.731 8.217 -0.526 1.00 0.00 C ATOM 1029 CG2 VAL A 70 5.234 6.136 0.809 1.00 0.00 C ATOM 0 H VAL A 70 7.909 5.031 0.258 1.00 0.00 H new ATOM 0 HA VAL A 70 8.117 7.942 0.399 1.00 0.00 H new ATOM 0 HB VAL A 70 5.888 8.010 1.592 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.667 8.452 -0.508 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.307 9.142 -0.532 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.960 7.641 -1.422 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.180 6.413 0.801 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.446 5.487 -0.041 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.463 5.608 1.735 1.00 0.00 H new ATOM 1039 N THR A 71 8.741 7.663 2.746 1.00 0.00 N ATOM 1040 CA THR A 71 9.289 7.461 4.077 1.00 0.00 C ATOM 1041 C THR A 71 8.290 7.921 5.140 1.00 0.00 C ATOM 1042 O THR A 71 7.545 8.876 4.926 1.00 0.00 O ATOM 1043 CB THR A 71 10.632 8.189 4.150 1.00 0.00 C ATOM 1044 OG1 THR A 71 11.547 7.293 3.524 1.00 0.00 O ATOM 1045 CG2 THR A 71 11.154 8.313 5.583 1.00 0.00 C ATOM 0 H THR A 71 8.890 8.595 2.360 1.00 0.00 H new ATOM 0 HA THR A 71 9.464 6.404 4.277 1.00 0.00 H new ATOM 0 HB THR A 71 10.530 9.183 3.714 1.00 0.00 H new ATOM 0 HG1 THR A 71 12.444 7.687 3.527 1.00 0.00 H new ATOM 0 HG21 THR A 71 12.110 8.837 5.578 1.00 0.00 H new ATOM 0 HG22 THR A 71 10.437 8.871 6.184 1.00 0.00 H new ATOM 0 HG23 THR A 71 11.288 7.319 6.009 1.00 0.00 H new ATOM 1053 N LEU A 72 8.307 7.220 6.265 1.00 0.00 N ATOM 1054 CA LEU A 72 7.411 7.544 7.362 1.00 0.00 C ATOM 1055 C LEU A 72 8.233 7.792 8.629 1.00 0.00 C ATOM 1056 O LEU A 72 9.445 7.580 8.638 1.00 0.00 O ATOM 1057 CB LEU A 72 6.346 6.458 7.523 1.00 0.00 C ATOM 1058 CG LEU A 72 5.301 6.373 6.408 1.00 0.00 C ATOM 1059 CD1 LEU A 72 4.497 5.075 6.509 1.00 0.00 C ATOM 1060 CD2 LEU A 72 4.399 7.608 6.407 1.00 0.00 C ATOM 0 H LEU A 72 8.927 6.429 6.440 1.00 0.00 H new ATOM 0 HA LEU A 72 6.865 8.463 7.150 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.848 5.493 7.598 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.828 6.622 8.468 1.00 0.00 H new ATOM 0 HG LEU A 72 5.822 6.355 5.451 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.761 5.039 5.705 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.170 4.222 6.423 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.986 5.038 7.471 1.00 0.00 H new ATOM 0 HD21 LEU A 72 3.666 7.522 5.605 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.883 7.683 7.364 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.005 8.501 6.251 1.00 0.00 H new ATOM 1072 N GLY A 73 7.541 8.237 9.667 1.00 0.00 N ATOM 1073 CA GLY A 73 8.192 8.516 10.936 1.00 0.00 C ATOM 1074 C GLY A 73 7.210 8.366 12.100 1.00 0.00 C ATOM 1075 O GLY A 73 7.544 7.774 13.126 1.00 0.00 O ATOM 0 H GLY A 73 6.536 8.411 9.656 1.00 0.00 H new ATOM 0 HA2 GLY A 73 9.033 7.836 11.075 1.00 0.00 H new ATOM 0 HA3 GLY A 73 8.598 9.527 10.926 1.00 0.00 H new ATOM 1079 N THR A 74 6.019 8.912 11.902 1.00 0.00 N ATOM 1080 CA THR A 74 4.987 8.846 12.923 1.00 0.00 C ATOM 1081 C THR A 74 4.763 7.397 13.362 1.00 0.00 C ATOM 1082 O THR A 74 4.478 6.531 12.536 1.00 0.00 O ATOM 1083 CB THR A 74 3.728 9.513 12.366 1.00 0.00 C ATOM 1084 OG1 THR A 74 3.810 10.856 12.837 1.00 0.00 O ATOM 1085 CG2 THR A 74 2.447 8.972 13.003 1.00 0.00 C ATOM 0 H THR A 74 5.746 9.402 11.050 1.00 0.00 H new ATOM 0 HA THR A 74 5.286 9.383 13.823 1.00 0.00 H new ATOM 0 HB THR A 74 3.686 9.365 11.287 1.00 0.00 H new ATOM 0 HG1 THR A 74 4.294 11.403 12.184 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.584 9.479 12.572 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.371 7.901 12.814 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.472 9.149 14.078 1.00 0.00 H new ATOM 1093 N PRO A 75 4.903 7.173 14.696 1.00 0.00 N ATOM 1094 CA PRO A 75 4.719 5.845 15.255 1.00 0.00 C ATOM 1095 C PRO A 75 3.236 5.475 15.314 1.00 0.00 C ATOM 1096 O PRO A 75 2.393 6.320 15.612 1.00 0.00 O ATOM 1097 CB PRO A 75 5.372 5.901 16.626 1.00 0.00 C ATOM 1098 CG PRO A 75 5.485 7.376 16.974 1.00 0.00 C ATOM 1099 CD PRO A 75 5.239 8.174 15.704 1.00 0.00 C ATOM 0 HA PRO A 75 5.173 5.065 14.644 1.00 0.00 H new ATOM 0 HB2 PRO A 75 4.773 5.370 17.366 1.00 0.00 H new ATOM 0 HB3 PRO A 75 6.353 5.427 16.611 1.00 0.00 H new ATOM 0 HG2 PRO A 75 4.758 7.644 17.740 1.00 0.00 H new ATOM 0 HG3 PRO A 75 6.472 7.598 17.379 1.00 0.00 H new ATOM 0 HD2 PRO A 75 4.428 8.890 15.837 1.00 0.00 H new ATOM 0 HD3 PRO A 75 6.123 8.744 15.417 1.00 0.00 H new ATOM 1107 N GLY A 76 2.961 4.212 15.024 1.00 0.00 N ATOM 1108 CA GLY A 76 1.594 3.720 15.040 1.00 0.00 C ATOM 1109 C GLY A 76 1.349 2.742 13.889 1.00 0.00 C ATOM 1110 O GLY A 76 2.259 2.449 13.115 1.00 0.00 O ATOM 0 H GLY A 76 3.662 3.514 14.776 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.393 3.226 15.991 1.00 0.00 H new ATOM 0 HA3 GLY A 76 0.901 4.558 14.963 1.00 0.00 H new ATOM 1114 N THR A 77 0.116 2.265 13.812 1.00 0.00 N ATOM 1115 CA THR A 77 -0.260 1.327 12.768 1.00 0.00 C ATOM 1116 C THR A 77 -1.098 2.029 11.697 1.00 0.00 C ATOM 1117 O THR A 77 -2.166 2.563 11.991 1.00 0.00 O ATOM 1118 CB THR A 77 -0.981 0.149 13.428 1.00 0.00 C ATOM 1119 OG1 THR A 77 0.037 -0.500 14.185 1.00 0.00 O ATOM 1120 CG2 THR A 77 -1.424 -0.908 12.415 1.00 0.00 C ATOM 0 H THR A 77 -0.636 2.510 14.456 1.00 0.00 H new ATOM 0 HA THR A 77 0.617 0.941 12.249 1.00 0.00 H new ATOM 0 HB THR A 77 -1.851 0.515 13.974 1.00 0.00 H new ATOM 0 HG1 THR A 77 -0.344 -1.275 14.648 1.00 0.00 H new ATOM 0 HG21 THR A 77 -1.930 -1.721 12.935 1.00 0.00 H new ATOM 0 HG22 THR A 77 -2.107 -0.458 11.695 1.00 0.00 H new ATOM 0 HG23 THR A 77 -0.551 -1.299 11.892 1.00 0.00 H new ATOM 1128 N TYR A 78 -0.581 2.004 10.477 1.00 0.00 N ATOM 1129 CA TYR A 78 -1.268 2.631 9.361 1.00 0.00 C ATOM 1130 C TYR A 78 -2.084 1.604 8.573 1.00 0.00 C ATOM 1131 O TYR A 78 -1.640 0.475 8.371 1.00 0.00 O ATOM 1132 CB TYR A 78 -0.172 3.197 8.456 1.00 0.00 C ATOM 1133 CG TYR A 78 0.601 4.366 9.070 1.00 0.00 C ATOM 1134 CD1 TYR A 78 1.336 4.177 10.223 1.00 0.00 C ATOM 1135 CD2 TYR A 78 0.563 5.609 8.472 1.00 0.00 C ATOM 1136 CE1 TYR A 78 2.063 5.277 10.801 1.00 0.00 C ATOM 1137 CE2 TYR A 78 1.290 6.709 9.050 1.00 0.00 C ATOM 1138 CZ TYR A 78 2.004 6.489 10.186 1.00 0.00 C ATOM 1139 OH TYR A 78 2.691 7.528 10.732 1.00 0.00 O ATOM 0 H TYR A 78 0.305 1.559 10.237 1.00 0.00 H new ATOM 0 HA TYR A 78 -1.955 3.399 9.716 1.00 0.00 H new ATOM 0 HB2 TYR A 78 0.530 2.400 8.211 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -0.622 3.525 7.519 1.00 0.00 H new ATOM 0 HD1 TYR A 78 1.366 3.204 10.691 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -0.012 5.757 7.570 1.00 0.00 H new ATOM 0 HE1 TYR A 78 2.642 5.143 11.703 1.00 0.00 H new ATOM 0 HE2 TYR A 78 1.269 7.687 8.592 1.00 0.00 H new ATOM 0 HH TYR A 78 3.493 7.189 11.183 1.00 0.00 H new ATOM 1149 N SER A 79 -3.264 2.033 8.149 1.00 0.00 N ATOM 1150 CA SER A 79 -4.146 1.165 7.387 1.00 0.00 C ATOM 1151 C SER A 79 -4.502 1.822 6.052 1.00 0.00 C ATOM 1152 O SER A 79 -4.641 3.042 5.974 1.00 0.00 O ATOM 1153 CB SER A 79 -5.417 0.844 8.176 1.00 0.00 C ATOM 1154 OG SER A 79 -5.858 1.953 8.954 1.00 0.00 O ATOM 0 H SER A 79 -3.630 2.970 8.319 1.00 0.00 H new ATOM 0 HA SER A 79 -3.623 0.228 7.195 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.207 0.549 7.486 1.00 0.00 H new ATOM 0 HB3 SER A 79 -5.232 -0.007 8.831 1.00 0.00 H new ATOM 0 HG SER A 79 -6.672 1.708 9.441 1.00 0.00 H new ATOM 1160 N PHE A 80 -4.639 0.985 5.035 1.00 0.00 N ATOM 1161 CA PHE A 80 -4.975 1.469 3.707 1.00 0.00 C ATOM 1162 C PHE A 80 -5.854 0.461 2.963 1.00 0.00 C ATOM 1163 O PHE A 80 -6.313 -0.519 3.548 1.00 0.00 O ATOM 1164 CB PHE A 80 -3.659 1.639 2.946 1.00 0.00 C ATOM 1165 CG PHE A 80 -2.729 0.427 3.032 1.00 0.00 C ATOM 1166 CD1 PHE A 80 -2.141 0.104 4.215 1.00 0.00 C ATOM 1167 CD2 PHE A 80 -2.491 -0.327 1.926 1.00 0.00 C ATOM 1168 CE1 PHE A 80 -1.278 -1.021 4.295 1.00 0.00 C ATOM 1169 CE2 PHE A 80 -1.628 -1.452 2.006 1.00 0.00 C ATOM 1170 CZ PHE A 80 -1.040 -1.775 3.189 1.00 0.00 C ATOM 0 H PHE A 80 -4.523 -0.026 5.104 1.00 0.00 H new ATOM 0 HA PHE A 80 -5.526 2.407 3.781 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -3.881 1.840 1.898 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -3.137 2.513 3.335 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -2.330 0.703 5.094 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -2.958 -0.070 0.987 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -0.811 -1.278 5.234 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -1.439 -2.051 1.127 1.00 0.00 H new ATOM 0 HZ PHE A 80 -0.384 -2.631 3.250 1.00 0.00 H new ATOM 1180 N TYR A 81 -6.063 0.738 1.684 1.00 0.00 N ATOM 1181 CA TYR A 81 -6.879 -0.132 0.854 1.00 0.00 C ATOM 1182 C TYR A 81 -6.806 0.286 -0.616 1.00 0.00 C ATOM 1183 O TYR A 81 -6.349 1.384 -0.931 1.00 0.00 O ATOM 1184 CB TYR A 81 -8.317 0.040 1.349 1.00 0.00 C ATOM 1185 CG TYR A 81 -8.873 1.454 1.169 1.00 0.00 C ATOM 1186 CD1 TYR A 81 -9.232 1.899 -0.087 1.00 0.00 C ATOM 1187 CD2 TYR A 81 -9.014 2.284 2.262 1.00 0.00 C ATOM 1188 CE1 TYR A 81 -9.755 3.230 -0.256 1.00 0.00 C ATOM 1189 CE2 TYR A 81 -9.537 3.615 2.093 1.00 0.00 C ATOM 1190 CZ TYR A 81 -9.882 4.022 0.842 1.00 0.00 C ATOM 1191 OH TYR A 81 -10.376 5.279 0.682 1.00 0.00 O ATOM 0 H TYR A 81 -5.682 1.552 1.203 1.00 0.00 H new ATOM 0 HA TYR A 81 -6.533 -1.163 0.923 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -8.960 -0.662 0.818 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -8.361 -0.225 2.405 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -9.121 1.249 -0.943 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -8.732 1.935 3.245 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -10.040 3.591 -1.233 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -9.653 4.275 2.940 1.00 0.00 H new ATOM 0 HH TYR A 81 -10.412 5.730 1.552 1.00 0.00 H new ATOM 1201 N CYS A 82 -7.262 -0.611 -1.477 1.00 0.00 N ATOM 1202 CA CYS A 82 -7.254 -0.349 -2.906 1.00 0.00 C ATOM 1203 C CYS A 82 -8.613 0.236 -3.295 1.00 0.00 C ATOM 1204 O CYS A 82 -9.649 -0.387 -3.068 1.00 0.00 O ATOM 1205 CB CYS A 82 -6.924 -1.608 -3.710 1.00 0.00 C ATOM 1206 SG CYS A 82 -5.781 -1.344 -5.115 1.00 0.00 S ATOM 0 H CYS A 82 -7.640 -1.521 -1.212 1.00 0.00 H new ATOM 0 HA CYS A 82 -6.469 0.370 -3.142 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -6.487 -2.347 -3.038 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -7.853 -2.033 -4.090 1.00 0.00 H new ATOM 1211 N THR A 83 -8.565 1.426 -3.875 1.00 0.00 N ATOM 1212 CA THR A 83 -9.780 2.102 -4.297 1.00 0.00 C ATOM 1213 C THR A 83 -10.640 1.169 -5.153 1.00 0.00 C ATOM 1214 O THR A 83 -11.831 1.005 -4.893 1.00 0.00 O ATOM 1215 CB THR A 83 -9.378 3.390 -5.019 1.00 0.00 C ATOM 1216 OG1 THR A 83 -9.644 4.418 -4.070 1.00 0.00 O ATOM 1217 CG2 THR A 83 -10.304 3.717 -6.193 1.00 0.00 C ATOM 0 H THR A 83 -7.704 1.939 -4.063 1.00 0.00 H new ATOM 0 HA THR A 83 -10.400 2.371 -3.442 1.00 0.00 H new ATOM 0 HB THR A 83 -8.353 3.299 -5.380 1.00 0.00 H new ATOM 0 HG1 THR A 83 -9.410 5.288 -4.456 1.00 0.00 H new ATOM 0 HG21 THR A 83 -9.974 4.640 -6.670 1.00 0.00 H new ATOM 0 HG22 THR A 83 -10.274 2.903 -6.917 1.00 0.00 H new ATOM 0 HG23 THR A 83 -11.324 3.841 -5.828 1.00 0.00 H new ATOM 1225 N PRO A 84 -9.985 0.566 -6.181 1.00 0.00 N ATOM 1226 CA PRO A 84 -10.677 -0.346 -7.076 1.00 0.00 C ATOM 1227 C PRO A 84 -10.926 -1.695 -6.398 1.00 0.00 C ATOM 1228 O PRO A 84 -12.073 -2.096 -6.209 1.00 0.00 O ATOM 1229 CB PRO A 84 -9.780 -0.452 -8.299 1.00 0.00 C ATOM 1230 CG PRO A 84 -8.410 0.032 -7.854 1.00 0.00 C ATOM 1231 CD PRO A 84 -8.575 0.737 -6.518 1.00 0.00 C ATOM 0 HA PRO A 84 -11.669 0.009 -7.355 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -9.733 -1.479 -8.661 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -10.162 0.157 -9.118 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -7.721 -0.807 -7.760 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -7.986 0.711 -8.594 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -7.930 0.299 -5.757 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -8.310 1.792 -6.591 1.00 0.00 H new ATOM 1239 N HIS A 85 -9.832 -2.358 -6.052 1.00 0.00 N ATOM 1240 CA HIS A 85 -9.918 -3.654 -5.400 1.00 0.00 C ATOM 1241 C HIS A 85 -10.334 -3.466 -3.939 1.00 0.00 C ATOM 1242 O HIS A 85 -9.621 -3.885 -3.028 1.00 0.00 O ATOM 1243 CB HIS A 85 -8.604 -4.424 -5.548 1.00 0.00 C ATOM 1244 CG HIS A 85 -8.073 -4.467 -6.961 1.00 0.00 C ATOM 1245 ND1 HIS A 85 -6.899 -3.841 -7.339 1.00 0.00 N ATOM 1246 CD2 HIS A 85 -8.568 -5.068 -8.081 1.00 0.00 C ATOM 1247 CE1 HIS A 85 -6.705 -4.061 -8.631 1.00 0.00 C ATOM 1248 NE2 HIS A 85 -7.741 -4.821 -9.089 1.00 0.00 N ATOM 0 H HIS A 85 -8.882 -2.022 -6.211 1.00 0.00 H new ATOM 0 HA HIS A 85 -10.684 -4.260 -5.885 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -7.853 -3.968 -4.902 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -8.751 -5.445 -5.195 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -9.478 -5.647 -8.138 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -5.873 -3.702 -9.218 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -7.860 -5.146 -10.048 1.00 0.00 H new ATOM 1256 N ARG A 86 -11.487 -2.837 -3.762 1.00 0.00 N ATOM 1257 CA ARG A 86 -12.007 -2.590 -2.428 1.00 0.00 C ATOM 1258 C ARG A 86 -12.847 -3.778 -1.957 1.00 0.00 C ATOM 1259 O ARG A 86 -12.799 -4.152 -0.786 1.00 0.00 O ATOM 1260 CB ARG A 86 -12.865 -1.323 -2.398 1.00 0.00 C ATOM 1261 CG ARG A 86 -14.140 -1.505 -3.224 1.00 0.00 C ATOM 1262 CD ARG A 86 -14.921 -0.193 -3.321 1.00 0.00 C ATOM 1263 NE ARG A 86 -16.293 -0.456 -3.811 1.00 0.00 N ATOM 1264 CZ ARG A 86 -17.270 0.460 -3.835 1.00 0.00 C ATOM 1265 NH1 ARG A 86 -17.034 1.704 -3.396 1.00 0.00 N ATOM 1266 NH2 ARG A 86 -18.485 0.132 -4.296 1.00 0.00 N ATOM 0 H ARG A 86 -12.075 -2.491 -4.520 1.00 0.00 H new ATOM 0 HA ARG A 86 -11.156 -2.455 -1.760 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -13.126 -1.081 -1.368 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -12.292 -0.482 -2.788 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -13.883 -1.855 -4.224 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -14.766 -2.273 -2.769 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -14.961 0.289 -2.344 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -14.411 0.495 -3.995 1.00 0.00 H new ATOM 0 HE ARG A 86 -16.508 -1.393 -4.152 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -16.110 1.954 -3.043 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -17.778 2.401 -3.415 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -18.666 -0.815 -4.629 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -19.229 0.830 -4.314 1.00 0.00 H new ATOM 1280 N GLY A 87 -13.598 -4.340 -2.894 1.00 0.00 N ATOM 1281 CA GLY A 87 -14.448 -5.478 -2.589 1.00 0.00 C ATOM 1282 C GLY A 87 -13.693 -6.794 -2.788 1.00 0.00 C ATOM 1283 O GLY A 87 -14.047 -7.812 -2.195 1.00 0.00 O ATOM 0 H GLY A 87 -13.635 -4.028 -3.864 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -14.800 -5.408 -1.560 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -15.330 -5.460 -3.229 1.00 0.00 H new ATOM 1287 N ALA A 88 -12.668 -6.731 -3.624 1.00 0.00 N ATOM 1288 CA ALA A 88 -11.860 -7.905 -3.908 1.00 0.00 C ATOM 1289 C ALA A 88 -11.119 -8.329 -2.639 1.00 0.00 C ATOM 1290 O ALA A 88 -10.601 -9.441 -2.560 1.00 0.00 O ATOM 1291 CB ALA A 88 -10.907 -7.601 -5.066 1.00 0.00 C ATOM 0 H ALA A 88 -12.378 -5.885 -4.114 1.00 0.00 H new ATOM 0 HA ALA A 88 -12.491 -8.739 -4.215 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -10.301 -8.481 -5.279 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -11.484 -7.335 -5.952 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -10.256 -6.770 -4.793 1.00 0.00 H new ATOM 1297 N GLY A 89 -11.092 -7.419 -1.676 1.00 0.00 N ATOM 1298 CA GLY A 89 -10.423 -7.684 -0.414 1.00 0.00 C ATOM 1299 C GLY A 89 -8.917 -7.440 -0.530 1.00 0.00 C ATOM 1300 O GLY A 89 -8.121 -8.365 -0.375 1.00 0.00 O ATOM 0 H GLY A 89 -11.523 -6.497 -1.745 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -10.840 -7.044 0.364 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -10.606 -8.715 -0.111 1.00 0.00 H new ATOM 1304 N MET A 90 -8.571 -6.190 -0.802 1.00 0.00 N ATOM 1305 CA MET A 90 -7.175 -5.813 -0.941 1.00 0.00 C ATOM 1306 C MET A 90 -6.800 -4.719 0.061 1.00 0.00 C ATOM 1307 O MET A 90 -6.653 -3.556 -0.311 1.00 0.00 O ATOM 1308 CB MET A 90 -6.921 -5.312 -2.364 1.00 0.00 C ATOM 1309 CG MET A 90 -5.451 -4.931 -2.557 1.00 0.00 C ATOM 1310 SD MET A 90 -4.919 -5.367 -4.204 1.00 0.00 S ATOM 1311 CE MET A 90 -3.392 -4.447 -4.290 1.00 0.00 C ATOM 0 H MET A 90 -9.234 -5.425 -0.930 1.00 0.00 H new ATOM 0 HA MET A 90 -6.559 -6.690 -0.740 1.00 0.00 H new ATOM 0 HB2 MET A 90 -7.197 -6.086 -3.080 1.00 0.00 H new ATOM 0 HB3 MET A 90 -7.554 -4.448 -2.568 1.00 0.00 H new ATOM 0 HG2 MET A 90 -5.320 -3.861 -2.395 1.00 0.00 H new ATOM 0 HG3 MET A 90 -4.834 -5.443 -1.819 1.00 0.00 H new ATOM 0 HE1 MET A 90 -2.847 -4.730 -5.191 1.00 0.00 H new ATOM 0 HE2 MET A 90 -3.611 -3.380 -4.319 1.00 0.00 H new ATOM 0 HE3 MET A 90 -2.784 -4.669 -3.413 1.00 0.00 H new ATOM 1321 N VAL A 91 -6.656 -5.131 1.312 1.00 0.00 N ATOM 1322 CA VAL A 91 -6.301 -4.200 2.370 1.00 0.00 C ATOM 1323 C VAL A 91 -5.036 -4.694 3.074 1.00 0.00 C ATOM 1324 O VAL A 91 -4.756 -5.892 3.087 1.00 0.00 O ATOM 1325 CB VAL A 91 -7.483 -4.016 3.323 1.00 0.00 C ATOM 1326 CG1 VAL A 91 -8.597 -3.199 2.665 1.00 0.00 C ATOM 1327 CG2 VAL A 91 -8.010 -5.367 3.811 1.00 0.00 C ATOM 0 H VAL A 91 -6.779 -6.097 1.617 1.00 0.00 H new ATOM 0 HA VAL A 91 -6.079 -3.217 1.956 1.00 0.00 H new ATOM 0 HB VAL A 91 -7.129 -3.461 4.191 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -9.425 -3.083 3.364 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -8.214 -2.216 2.390 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -8.947 -3.715 1.771 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -8.850 -5.207 4.487 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -8.339 -5.959 2.957 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -7.217 -5.898 4.337 1.00 0.00 H new ATOM 1337 N GLY A 92 -4.306 -3.746 3.643 1.00 0.00 N ATOM 1338 CA GLY A 92 -3.077 -4.070 4.348 1.00 0.00 C ATOM 1339 C GLY A 92 -2.847 -3.111 5.518 1.00 0.00 C ATOM 1340 O GLY A 92 -3.697 -2.273 5.815 1.00 0.00 O ATOM 0 H GLY A 92 -4.542 -2.754 3.630 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -3.124 -5.095 4.717 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -2.234 -4.018 3.659 1.00 0.00 H new ATOM 1344 N THR A 93 -1.693 -3.266 6.150 1.00 0.00 N ATOM 1345 CA THR A 93 -1.340 -2.424 7.281 1.00 0.00 C ATOM 1346 C THR A 93 0.159 -2.120 7.272 1.00 0.00 C ATOM 1347 O THR A 93 0.932 -2.810 6.610 1.00 0.00 O ATOM 1348 CB THR A 93 -1.810 -3.126 8.557 1.00 0.00 C ATOM 1349 OG1 THR A 93 -3.036 -3.747 8.180 1.00 0.00 O ATOM 1350 CG2 THR A 93 -2.214 -2.138 9.653 1.00 0.00 C ATOM 0 H THR A 93 -0.990 -3.962 5.901 1.00 0.00 H new ATOM 0 HA THR A 93 -1.836 -1.455 7.223 1.00 0.00 H new ATOM 0 HB THR A 93 -1.017 -3.775 8.928 1.00 0.00 H new ATOM 0 HG1 THR A 93 -3.410 -4.227 8.949 1.00 0.00 H new ATOM 0 HG21 THR A 93 -2.539 -2.688 10.536 1.00 0.00 H new ATOM 0 HG22 THR A 93 -1.361 -1.511 9.910 1.00 0.00 H new ATOM 0 HG23 THR A 93 -3.030 -1.511 9.295 1.00 0.00 H new ATOM 1358 N ILE A 94 0.525 -1.085 8.015 1.00 0.00 N ATOM 1359 CA ILE A 94 1.918 -0.681 8.101 1.00 0.00 C ATOM 1360 C ILE A 94 2.198 -0.126 9.498 1.00 0.00 C ATOM 1361 O ILE A 94 1.548 0.824 9.935 1.00 0.00 O ATOM 1362 CB ILE A 94 2.264 0.292 6.972 1.00 0.00 C ATOM 1363 CG1 ILE A 94 2.154 -0.390 5.607 1.00 0.00 C ATOM 1364 CG2 ILE A 94 3.643 0.918 7.190 1.00 0.00 C ATOM 1365 CD1 ILE A 94 2.345 0.618 4.472 1.00 0.00 C ATOM 0 H ILE A 94 -0.119 -0.514 8.563 1.00 0.00 H new ATOM 0 HA ILE A 94 2.573 -1.541 7.962 1.00 0.00 H new ATOM 0 HB ILE A 94 1.536 1.103 6.986 1.00 0.00 H new ATOM 0 HG12 ILE A 94 2.904 -1.177 5.529 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.179 -0.868 5.513 1.00 0.00 H new ATOM 0 HG21 ILE A 94 3.864 1.605 6.373 1.00 0.00 H new ATOM 0 HG22 ILE A 94 3.650 1.462 8.134 1.00 0.00 H new ATOM 0 HG23 ILE A 94 4.399 0.133 7.218 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.262 0.106 3.513 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.579 1.390 4.539 1.00 0.00 H new ATOM 0 HD13 ILE A 94 3.331 1.076 4.554 1.00 0.00 H new ATOM 1377 N THR A 95 3.165 -0.741 10.162 1.00 0.00 N ATOM 1378 CA THR A 95 3.539 -0.320 11.502 1.00 0.00 C ATOM 1379 C THR A 95 4.863 0.447 11.470 1.00 0.00 C ATOM 1380 O THR A 95 5.750 0.127 10.681 1.00 0.00 O ATOM 1381 CB THR A 95 3.578 -1.562 12.394 1.00 0.00 C ATOM 1382 OG1 THR A 95 2.287 -2.145 12.234 1.00 0.00 O ATOM 1383 CG2 THR A 95 3.647 -1.213 13.882 1.00 0.00 C ATOM 0 H THR A 95 3.701 -1.528 9.797 1.00 0.00 H new ATOM 0 HA THR A 95 2.808 0.373 11.917 1.00 0.00 H new ATOM 0 HB THR A 95 4.438 -2.175 12.125 1.00 0.00 H new ATOM 0 HG1 THR A 95 2.226 -2.958 12.777 1.00 0.00 H new ATOM 0 HG21 THR A 95 3.673 -2.130 14.470 1.00 0.00 H new ATOM 0 HG22 THR A 95 4.548 -0.631 14.078 1.00 0.00 H new ATOM 0 HG23 THR A 95 2.770 -0.628 14.160 1.00 0.00 H new ATOM 1391 N VAL A 96 4.953 1.444 12.337 1.00 0.00 N ATOM 1392 CA VAL A 96 6.153 2.259 12.418 1.00 0.00 C ATOM 1393 C VAL A 96 6.628 2.316 13.872 1.00 0.00 C ATOM 1394 O VAL A 96 6.476 3.339 14.538 1.00 0.00 O ATOM 1395 CB VAL A 96 5.887 3.642 11.821 1.00 0.00 C ATOM 1396 CG1 VAL A 96 6.890 4.670 12.351 1.00 0.00 C ATOM 1397 CG2 VAL A 96 5.909 3.593 10.292 1.00 0.00 C ATOM 0 H VAL A 96 4.214 1.706 12.990 1.00 0.00 H new ATOM 0 HA VAL A 96 6.957 1.815 11.831 1.00 0.00 H new ATOM 0 HB VAL A 96 4.890 3.955 12.132 1.00 0.00 H new ATOM 0 HG11 VAL A 96 6.679 5.645 11.911 1.00 0.00 H new ATOM 0 HG12 VAL A 96 6.805 4.735 13.436 1.00 0.00 H new ATOM 0 HG13 VAL A 96 7.901 4.363 12.084 1.00 0.00 H new ATOM 0 HG21 VAL A 96 5.717 4.589 9.893 1.00 0.00 H new ATOM 0 HG22 VAL A 96 6.886 3.248 9.953 1.00 0.00 H new ATOM 0 HG23 VAL A 96 5.140 2.906 9.939 1.00 0.00 H new ATOM 1407 N GLU A 97 7.193 1.205 14.320 1.00 0.00 N ATOM 1408 CA GLU A 97 7.691 1.116 15.682 1.00 0.00 C ATOM 1409 C GLU A 97 9.136 1.615 15.753 1.00 0.00 C ATOM 1410 O GLU A 97 9.488 2.384 16.646 1.00 0.00 O ATOM 1411 CB GLU A 97 7.578 -0.314 16.215 1.00 0.00 C ATOM 1412 CG GLU A 97 6.843 -0.343 17.556 1.00 0.00 C ATOM 1413 CD GLU A 97 7.519 -1.308 18.532 1.00 0.00 C ATOM 1414 OE1 GLU A 97 7.703 -2.479 18.135 1.00 0.00 O ATOM 1415 OE2 GLU A 97 7.836 -0.854 19.652 1.00 0.00 O ATOM 1416 OXT GLU A 97 9.934 1.157 14.799 1.00 0.00 O ATOM 0 H GLU A 97 7.317 0.359 13.764 1.00 0.00 H new ATOM 0 HA GLU A 97 7.075 1.755 16.315 1.00 0.00 H new ATOM 0 HB2 GLU A 97 7.048 -0.934 15.492 1.00 0.00 H new ATOM 0 HB3 GLU A 97 8.574 -0.742 16.333 1.00 0.00 H new ATOM 0 HG2 GLU A 97 6.823 0.659 17.985 1.00 0.00 H new ATOM 0 HG3 GLU A 97 5.807 -0.644 17.400 1.00 0.00 H new TER 1423 GLU A 97 HETATM 1424 CU CU1 A 110 -5.276 -3.315 -6.298 1.00 0.00 CU CONECT 580 1424 CONECT 1206 1424 CONECT 1245 1424 CONECT 1310 1424 CONECT 1424 580 1206 1245 1310 END