USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 605 hydrogens (0 hets) HEADER METAL TRANSPORT 20-JUL-00 1FD8 TITLE SOLUTION STRUCTURE OF THE CU(I) FORM OF THE YEAST TITLE 2 METALLOCHAPERONE, ATX1 COMPND MOL_ID: 1; COMPND 2 MOLECULE: ATX1 COPPER CHAPERONE; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: ATX1; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; SOURCE 3 ORGANISM_COMMON: BAKER'S YEAST; SOURCE 4 ORGANISM_TAXID: 4932; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PET11D KEYWDS METALLOCHAPERONE, ATX1, HEAVY-METAL-ASSOCIATED DOMAIN, KEYWDS 2 OXYGEN TOXICITY, METAL TRANSPORT EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR F.ARNESANO,L.BANCI,I.BERTINI,D.L.HUFFMAN,T.V.O'HALLORAN REVDAT 3 24-FEB-09 1FD8 1 VERSN REVDAT 2 01-APR-03 1FD8 1 JRNL REVDAT 1 14-MAR-01 1FD8 0 JRNL AUTH F.ARNESANO,L.BANCI,I.BERTINI,D.L.HUFFMAN, JRNL AUTH 2 T.V.O'HALLORAN JRNL TITL SOLUTION STRUCTURE OF THE CU(I) AND APO FORMS OF JRNL TITL 2 THE YEAST METALLOCHAPERONE, ATX1. JRNL REF BIOCHEMISTRY V. 40 1528 2001 JRNL REFN ISSN 0006-2960 JRNL PMID 11327811 JRNL DOI 10.1021/BI0014711 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : AMBER 6 REMARK 3 AUTHORS : CASE, KOLLMAN ET AL. REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: 1184 MEANINGFUL NOES, 42 DIHEDRAL REMARK 3 ANGLE RESTRAINTS AND 60 1JHN RESIDUAL DIPOLAR COUPLINGS REMARK 4 REMARK 4 1FD8 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 10-AUG-00. REMARK 100 THE RCSB ID CODE IS RCSB011496. 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 : 100MM PHOSPHATE REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 1.8MM CU(I)-ATX1 15N; 100MM REMARK 210 PHOSPHATE BUFFER NA; 90% H2O, REMARK 210 10% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY, 3D NOESY-15N HMQC, REMARK 210 HNHA, 2D TOCSY, 15N-1H 1J- REMARK 210 MODULATED HSQC REMARK 210 SPECTROMETER FIELD STRENGTH : 800 MHZ, 600 MHZ, 500 MHZ, REMARK 210 400 MHZ REMARK 210 SPECTROMETER MODEL : AVANCE REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : XWINNMR, XEASY, DYANA, CORMA REMARK 210 METHOD USED : SIMULATED ANNEALING, TORSION REMARK 210 ANGLE DYNAMICS, RESTRAINED REMARK 210 ENERGY MINIMIZATION REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: 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 ASP A 32 -50.06 -176.67 REMARK 500 GLN A 43 50.50 34.82 REMARK 500 ILE A 60 -70.36 -60.03 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 74 CU REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS A 18 SG REMARK 620 2 CYS A 15 SG 117.2 REMARK 620 3 CYS A 15 N 112.3 79.7 REMARK 620 N 1 2 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CU1 A 74 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1CC8 RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF THE HG(II) FORM OF ATX1 REMARK 900 METALLOCHAPERONE PROTEIN AT 1.02 A RESOLUTION DBREF 1FD8 A 1 73 UNP P38636 ATX1_YEAST 1 73 SEQRES 1 A 73 MET ALA GLU ILE LYS HIS TYR GLN PHE ASN VAL VAL MET SEQRES 2 A 73 THR CYS SER GLY CYS SER GLY ALA VAL ASN LYS VAL LEU SEQRES 3 A 73 THR LYS LEU GLU PRO ASP VAL SER LYS ILE ASP ILE SER SEQRES 4 A 73 LEU GLU LYS GLN LEU VAL ASP VAL TYR THR THR LEU PRO SEQRES 5 A 73 TYR ASP PHE ILE LEU GLU LYS ILE LYS LYS THR GLY LYS SEQRES 6 A 73 GLU VAL ARG SER GLY LYS GLN LEU HET CU1 A 74 1 HETNAM CU1 COPPER (I) ION FORMUL 2 CU1 CU 1+ HELIX 1 1 GLY A 17 GLU A 30 1 14 HELIX 2 2 PRO A 52 THR A 63 1 12 SHEET 1 A 4 LYS A 35 SER A 39 0 SHEET 2 A 4 LEU A 44 THR A 49 -1 O LEU A 44 N SER A 39 SHEET 3 A 4 LYS A 5 VAL A 11 -1 N LYS A 5 O THR A 49 SHEET 4 A 4 VAL A 67 LEU A 73 -1 N ARG A 68 O ASN A 10 LINK CU CU1 A 74 SG CYS A 18 1555 1555 2.12 LINK CU CU1 A 74 SG CYS A 15 1555 1555 2.14 LINK CU CU1 A 74 N CYS A 15 1555 1555 2.75 SITE *** AC1 4 THR A 14 CYS A 15 CYS A 18 LYS A 65 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 Set 1.1: A 49 THR OG1 : rot -170:sc= -0.126 USER MOD Set 1.2: A 50 THR OG1 : rot -165:sc= 1.32 USER MOD Set 2.1: A 6 HIS : no HE2:sc= -1.35 K(o=-0.9,f=-3.3!) USER MOD Set 2.2: A 48 TYR OH : rot -92:sc= 0.45 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 151:sc= 1.52 (180deg=0.21) USER MOD Single : A 5 LYS NZ :NH3+ -129:sc= 1.05 (180deg=-0.183) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 1.15 K(o=1.1,f=-0.12) USER MOD Single : A 10 ASN : amide:sc= 0.538 K(o=0.54,f=-5.5!) USER MOD Single : A 13 MET CE :methyl -170:sc= -0.0413 (180deg=-0.242) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0.0181 USER MOD Single : A 23 ASN : amide:sc= -0.426 X(o=-0.43,f=-0.022) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0462 USER MOD Single : A 28 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0139) USER MOD Single : A 34 SER OG : rot -160:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= 2.01 K(o=2,f=-0.22) USER MOD Single : A 53 TYR OH : rot 87:sc= 0.259 USER MOD Single : A 59 LYS NZ :NH3+ -148:sc= 1.8 (180deg=0.12) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 157:sc= 1.16 (180deg=0.417) USER MOD Single : A 63 THR OG1 : rot -60:sc= 1.25 USER MOD Single : A 65 LYS NZ :NH3+ 171:sc= 0.877 (180deg=0.514) USER MOD Single : A 69 SER OG : rot 180:sc= -0.187 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.865 -21.365 6.547 1.00 0.00 N ATOM 2 CA MET A 1 -2.324 -21.145 5.197 1.00 0.00 C ATOM 3 C MET A 1 -2.826 -19.801 4.702 1.00 0.00 C ATOM 4 O MET A 1 -3.840 -19.328 5.208 1.00 0.00 O ATOM 5 CB MET A 1 -2.806 -22.207 4.194 1.00 0.00 C ATOM 6 CG MET A 1 -2.329 -23.622 4.519 1.00 0.00 C ATOM 7 SD MET A 1 -3.103 -24.357 5.975 1.00 0.00 S ATOM 8 CE MET A 1 -2.120 -25.864 6.103 1.00 0.00 C ATOM 0 H1 MET A 1 -2.973 -22.386 6.715 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.213 -20.965 7.252 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.792 -20.900 6.630 1.00 0.00 H new ATOM 0 HA MET A 1 -1.237 -21.194 5.262 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.896 -22.198 4.165 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.459 -21.936 3.197 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.521 -24.263 3.659 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.249 -23.603 4.668 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.461 -26.450 6.957 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.234 -26.451 5.192 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.070 -25.603 6.238 1.00 0.00 H new ATOM 20 N ALA A 2 -2.163 -19.264 3.684 1.00 0.00 N ATOM 21 CA ALA A 2 -2.720 -18.342 2.718 1.00 0.00 C ATOM 22 C ALA A 2 -1.793 -18.435 1.512 1.00 0.00 C ATOM 23 O ALA A 2 -0.636 -18.824 1.672 1.00 0.00 O ATOM 24 CB ALA A 2 -2.774 -16.918 3.275 1.00 0.00 C ATOM 0 H ALA A 2 -1.180 -19.473 3.507 1.00 0.00 H new ATOM 0 HA ALA A 2 -3.749 -18.592 2.460 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -3.197 -16.250 2.525 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -3.397 -16.901 4.169 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -1.766 -16.588 3.528 1.00 0.00 H new ATOM 30 N GLU A 3 -2.296 -18.098 0.329 1.00 0.00 N ATOM 31 CA GLU A 3 -1.467 -17.871 -0.839 1.00 0.00 C ATOM 32 C GLU A 3 -1.273 -16.368 -0.967 1.00 0.00 C ATOM 33 O GLU A 3 -2.077 -15.582 -0.470 1.00 0.00 O ATOM 34 CB GLU A 3 -2.183 -18.368 -2.089 1.00 0.00 C ATOM 35 CG GLU A 3 -2.331 -19.888 -2.194 1.00 0.00 C ATOM 36 CD GLU A 3 -3.317 -20.247 -3.303 1.00 0.00 C ATOM 37 OE1 GLU A 3 -3.931 -19.295 -3.847 1.00 0.00 O ATOM 38 OE2 GLU A 3 -3.454 -21.455 -3.579 1.00 0.00 O ATOM 0 H GLU A 3 -3.294 -17.975 0.158 1.00 0.00 H new ATOM 0 HA GLU A 3 -0.517 -18.396 -0.736 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -3.176 -17.919 -2.122 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -1.642 -18.010 -2.965 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -1.361 -20.342 -2.399 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -2.678 -20.293 -1.244 1.00 0.00 H new ATOM 45 N ILE A 4 -0.236 -15.987 -1.698 1.00 0.00 N ATOM 46 CA ILE A 4 0.100 -14.610 -1.989 1.00 0.00 C ATOM 47 C ILE A 4 -0.776 -14.209 -3.177 1.00 0.00 C ATOM 48 O ILE A 4 -0.720 -14.861 -4.219 1.00 0.00 O ATOM 49 CB ILE A 4 1.600 -14.591 -2.326 1.00 0.00 C ATOM 50 CG1 ILE A 4 2.424 -15.020 -1.093 1.00 0.00 C ATOM 51 CG2 ILE A 4 2.062 -13.218 -2.821 1.00 0.00 C ATOM 52 CD1 ILE A 4 3.739 -15.688 -1.503 1.00 0.00 C ATOM 0 H ILE A 4 0.413 -16.653 -2.116 1.00 0.00 H new ATOM 0 HA ILE A 4 -0.076 -13.912 -1.170 1.00 0.00 H new ATOM 0 HB ILE A 4 1.764 -15.300 -3.138 1.00 0.00 H new ATOM 0 HG12 ILE A 4 2.635 -14.148 -0.474 1.00 0.00 H new ATOM 0 HG13 ILE A 4 1.839 -15.709 -0.484 1.00 0.00 H new ATOM 0 HG21 ILE A 4 3.128 -13.252 -3.047 1.00 0.00 H new ATOM 0 HG22 ILE A 4 1.509 -12.951 -3.721 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.879 -12.472 -2.048 1.00 0.00 H new ATOM 0 HD11 ILE A 4 4.294 -15.977 -0.611 1.00 0.00 H new ATOM 0 HD12 ILE A 4 3.526 -16.574 -2.101 1.00 0.00 H new ATOM 0 HD13 ILE A 4 4.335 -14.989 -2.090 1.00 0.00 H new ATOM 64 N LYS A 5 -1.615 -13.185 -3.015 1.00 0.00 N ATOM 65 CA LYS A 5 -2.404 -12.577 -4.063 1.00 0.00 C ATOM 66 C LYS A 5 -1.790 -11.203 -4.272 1.00 0.00 C ATOM 67 O LYS A 5 -1.079 -10.687 -3.406 1.00 0.00 O ATOM 68 CB LYS A 5 -3.882 -12.448 -3.653 1.00 0.00 C ATOM 69 CG LYS A 5 -4.716 -13.722 -3.867 1.00 0.00 C ATOM 70 CD LYS A 5 -4.157 -14.903 -3.063 1.00 0.00 C ATOM 71 CE LYS A 5 -5.141 -16.078 -2.896 1.00 0.00 C ATOM 72 NZ LYS A 5 -5.120 -17.048 -4.016 1.00 0.00 N ATOM 0 H LYS A 5 -1.762 -12.745 -2.107 1.00 0.00 H new ATOM 0 HA LYS A 5 -2.393 -13.180 -4.971 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -3.931 -12.169 -2.600 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -4.334 -11.634 -4.220 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -5.749 -13.536 -3.571 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -4.729 -13.976 -4.927 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.254 -15.267 -3.554 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.862 -14.548 -2.076 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -4.909 -16.604 -1.970 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -6.151 -15.681 -2.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -6.090 -17.208 -4.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -4.541 -16.669 -4.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -4.714 -17.948 -3.688 1.00 0.00 H new ATOM 86 N HIS A 6 -2.057 -10.636 -5.436 1.00 0.00 N ATOM 87 CA HIS A 6 -1.528 -9.352 -5.854 1.00 0.00 C ATOM 88 C HIS A 6 -2.637 -8.329 -5.682 1.00 0.00 C ATOM 89 O HIS A 6 -3.606 -8.309 -6.426 1.00 0.00 O ATOM 90 CB HIS A 6 -1.012 -9.468 -7.291 1.00 0.00 C ATOM 91 CG HIS A 6 -0.639 -8.177 -7.987 1.00 0.00 C ATOM 92 ND1 HIS A 6 -0.765 -6.883 -7.514 1.00 0.00 N ATOM 93 CD2 HIS A 6 -0.275 -8.094 -9.305 1.00 0.00 C ATOM 94 CE1 HIS A 6 -0.515 -6.057 -8.543 1.00 0.00 C ATOM 95 NE2 HIS A 6 -0.200 -6.745 -9.651 1.00 0.00 N ATOM 0 H HIS A 6 -2.663 -11.068 -6.133 1.00 0.00 H new ATOM 0 HA HIS A 6 -0.678 -9.030 -5.252 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -0.136 -10.117 -7.286 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -1.776 -9.967 -7.887 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -1.003 -6.608 -6.561 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -0.080 -8.929 -9.962 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -0.561 -4.980 -8.486 1.00 0.00 H new ATOM 103 N TYR A 7 -2.490 -7.431 -4.719 1.00 0.00 N ATOM 104 CA TYR A 7 -3.420 -6.337 -4.548 1.00 0.00 C ATOM 105 C TYR A 7 -2.834 -5.105 -5.226 1.00 0.00 C ATOM 106 O TYR A 7 -1.607 -4.987 -5.315 1.00 0.00 O ATOM 107 CB TYR A 7 -3.639 -6.087 -3.062 1.00 0.00 C ATOM 108 CG TYR A 7 -4.198 -7.283 -2.325 1.00 0.00 C ATOM 109 CD1 TYR A 7 -5.572 -7.554 -2.410 1.00 0.00 C ATOM 110 CD2 TYR A 7 -3.341 -8.197 -1.687 1.00 0.00 C ATOM 111 CE1 TYR A 7 -6.090 -8.742 -1.874 1.00 0.00 C ATOM 112 CE2 TYR A 7 -3.867 -9.371 -1.120 1.00 0.00 C ATOM 113 CZ TYR A 7 -5.239 -9.649 -1.222 1.00 0.00 C ATOM 114 OH TYR A 7 -5.738 -10.826 -0.748 1.00 0.00 O ATOM 0 H TYR A 7 -1.727 -7.444 -4.042 1.00 0.00 H new ATOM 0 HA TYR A 7 -4.384 -6.573 -4.998 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -2.691 -5.800 -2.606 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -4.320 -5.244 -2.940 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -6.232 -6.846 -2.889 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -2.281 -7.998 -1.633 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -7.144 -8.959 -1.963 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -3.214 -10.060 -0.605 1.00 0.00 H new ATOM 0 HH TYR A 7 -5.019 -11.340 -0.325 1.00 0.00 H new ATOM 124 N GLN A 8 -3.702 -4.209 -5.702 1.00 0.00 N ATOM 125 CA GLN A 8 -3.323 -2.901 -6.212 1.00 0.00 C ATOM 126 C GLN A 8 -4.241 -1.860 -5.589 1.00 0.00 C ATOM 127 O GLN A 8 -5.454 -2.058 -5.547 1.00 0.00 O ATOM 128 CB GLN A 8 -3.382 -2.874 -7.743 1.00 0.00 C ATOM 129 CG GLN A 8 -3.187 -1.456 -8.295 1.00 0.00 C ATOM 130 CD GLN A 8 -3.104 -1.524 -9.807 1.00 0.00 C ATOM 131 OE1 GLN A 8 -4.031 -1.132 -10.513 1.00 0.00 O ATOM 132 NE2 GLN A 8 -2.016 -2.088 -10.302 1.00 0.00 N ATOM 0 H GLN A 8 -4.706 -4.382 -5.742 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.292 -2.675 -5.939 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -2.612 -3.531 -8.148 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -4.343 -3.265 -8.077 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -4.016 -0.816 -7.992 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -2.278 -1.015 -7.887 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -1.272 -2.398 -9.676 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -1.920 -2.213 -11.310 1.00 0.00 H new ATOM 141 N PHE A 9 -3.658 -0.753 -5.130 1.00 0.00 N ATOM 142 CA PHE A 9 -4.349 0.351 -4.484 1.00 0.00 C ATOM 143 C PHE A 9 -3.935 1.655 -5.152 1.00 0.00 C ATOM 144 O PHE A 9 -2.806 1.777 -5.622 1.00 0.00 O ATOM 145 CB PHE A 9 -3.986 0.401 -2.997 1.00 0.00 C ATOM 146 CG PHE A 9 -4.007 -0.946 -2.309 1.00 0.00 C ATOM 147 CD1 PHE A 9 -5.216 -1.480 -1.832 1.00 0.00 C ATOM 148 CD2 PHE A 9 -2.832 -1.714 -2.251 1.00 0.00 C ATOM 149 CE1 PHE A 9 -5.231 -2.745 -1.222 1.00 0.00 C ATOM 150 CE2 PHE A 9 -2.867 -3.012 -1.723 1.00 0.00 C ATOM 151 CZ PHE A 9 -4.056 -3.510 -1.168 1.00 0.00 C ATOM 0 H PHE A 9 -2.652 -0.599 -5.203 1.00 0.00 H new ATOM 0 HA PHE A 9 -5.425 0.209 -4.580 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -2.992 0.835 -2.891 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -4.681 1.068 -2.487 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -6.133 -0.918 -1.934 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -1.901 -1.304 -2.614 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -6.146 -3.128 -0.795 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.980 -3.628 -1.743 1.00 0.00 H new ATOM 0 HZ PHE A 9 -4.067 -4.483 -0.699 1.00 0.00 H new ATOM 161 N ASN A 10 -4.836 2.636 -5.156 1.00 0.00 N ATOM 162 CA ASN A 10 -4.557 4.005 -5.559 1.00 0.00 C ATOM 163 C ASN A 10 -4.659 4.855 -4.295 1.00 0.00 C ATOM 164 O ASN A 10 -5.767 5.073 -3.813 1.00 0.00 O ATOM 165 CB ASN A 10 -5.590 4.462 -6.602 1.00 0.00 C ATOM 166 CG ASN A 10 -4.990 5.041 -7.877 1.00 0.00 C ATOM 167 OD1 ASN A 10 -5.202 6.217 -8.188 1.00 0.00 O ATOM 168 ND2 ASN A 10 -4.302 4.199 -8.642 1.00 0.00 N ATOM 0 H ASN A 10 -5.805 2.492 -4.871 1.00 0.00 H new ATOM 0 HA ASN A 10 -3.570 4.098 -6.012 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -6.221 3.613 -6.866 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -6.238 5.212 -6.148 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -3.920 4.515 -9.533 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -4.156 3.237 -8.337 1.00 0.00 H new ATOM 175 N VAL A 11 -3.537 5.300 -3.731 1.00 0.00 N ATOM 176 CA VAL A 11 -3.505 6.187 -2.559 1.00 0.00 C ATOM 177 C VAL A 11 -2.986 7.577 -2.944 1.00 0.00 C ATOM 178 O VAL A 11 -2.128 7.689 -3.820 1.00 0.00 O ATOM 179 CB VAL A 11 -2.729 5.524 -1.402 1.00 0.00 C ATOM 180 CG1 VAL A 11 -1.550 4.678 -1.887 1.00 0.00 C ATOM 181 CG2 VAL A 11 -2.252 6.504 -0.319 1.00 0.00 C ATOM 0 H VAL A 11 -2.610 5.054 -4.077 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.519 6.343 -2.190 1.00 0.00 H new ATOM 0 HB VAL A 11 -3.466 4.868 -0.940 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.042 4.237 -1.030 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.915 3.885 -2.540 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -0.852 5.309 -2.437 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.716 5.957 0.456 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.588 7.245 -0.765 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -3.113 7.007 0.121 1.00 0.00 H new ATOM 191 N VAL A 12 -3.516 8.639 -2.312 1.00 0.00 N ATOM 192 CA VAL A 12 -3.199 10.020 -2.710 1.00 0.00 C ATOM 193 C VAL A 12 -1.790 10.444 -2.240 1.00 0.00 C ATOM 194 O VAL A 12 -1.635 11.318 -1.386 1.00 0.00 O ATOM 195 CB VAL A 12 -4.310 10.985 -2.233 1.00 0.00 C ATOM 196 CG1 VAL A 12 -4.108 12.408 -2.783 1.00 0.00 C ATOM 197 CG2 VAL A 12 -5.694 10.521 -2.708 1.00 0.00 C ATOM 0 H VAL A 12 -4.163 8.567 -1.527 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.173 10.069 -3.799 1.00 0.00 H new ATOM 0 HB VAL A 12 -4.252 10.987 -1.145 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.909 13.054 -2.424 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.148 12.797 -2.442 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.123 12.382 -3.873 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.453 11.220 -2.356 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.711 10.484 -3.797 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.902 9.529 -2.308 1.00 0.00 H new ATOM 207 N MET A 13 -0.740 9.829 -2.790 1.00 0.00 N ATOM 208 CA MET A 13 0.632 10.053 -2.348 1.00 0.00 C ATOM 209 C MET A 13 1.258 11.297 -2.990 1.00 0.00 C ATOM 210 O MET A 13 2.163 11.165 -3.812 1.00 0.00 O ATOM 211 CB MET A 13 1.498 8.818 -2.632 1.00 0.00 C ATOM 212 CG MET A 13 0.978 7.564 -1.929 1.00 0.00 C ATOM 213 SD MET A 13 2.063 6.115 -2.013 1.00 0.00 S ATOM 214 CE MET A 13 2.269 5.959 -3.803 1.00 0.00 C ATOM 0 H MET A 13 -0.821 9.161 -3.556 1.00 0.00 H new ATOM 0 HA MET A 13 0.594 10.227 -1.273 1.00 0.00 H new ATOM 0 HB2 MET A 13 1.531 8.641 -3.707 1.00 0.00 H new ATOM 0 HB3 MET A 13 2.521 9.014 -2.310 1.00 0.00 H new ATOM 0 HG2 MET A 13 0.801 7.803 -0.880 1.00 0.00 H new ATOM 0 HG3 MET A 13 0.013 7.299 -2.362 1.00 0.00 H new ATOM 0 HE1 MET A 13 2.762 5.014 -4.032 1.00 0.00 H new ATOM 0 HE2 MET A 13 1.292 5.984 -4.285 1.00 0.00 H new ATOM 0 HE3 MET A 13 2.877 6.785 -4.173 1.00 0.00 H new ATOM 224 N THR A 14 0.787 12.504 -2.663 1.00 0.00 N ATOM 225 CA THR A 14 1.289 13.715 -3.323 1.00 0.00 C ATOM 226 C THR A 14 2.439 14.411 -2.579 1.00 0.00 C ATOM 227 O THR A 14 3.231 15.094 -3.225 1.00 0.00 O ATOM 228 CB THR A 14 0.145 14.680 -3.668 1.00 0.00 C ATOM 229 OG1 THR A 14 0.628 15.725 -4.491 1.00 0.00 O ATOM 230 CG2 THR A 14 -0.535 15.292 -2.441 1.00 0.00 C ATOM 0 H THR A 14 0.070 12.669 -1.957 1.00 0.00 H new ATOM 0 HA THR A 14 1.735 13.377 -4.258 1.00 0.00 H new ATOM 0 HB THR A 14 -0.605 14.084 -4.188 1.00 0.00 H new ATOM 0 HG1 THR A 14 -0.107 16.336 -4.709 1.00 0.00 H new ATOM 0 HG21 THR A 14 -1.332 15.962 -2.763 1.00 0.00 H new ATOM 0 HG22 THR A 14 -0.956 14.498 -1.824 1.00 0.00 H new ATOM 0 HG23 THR A 14 0.198 15.852 -1.861 1.00 0.00 H new ATOM 238 N CYS A 15 2.484 14.339 -1.245 1.00 0.00 N ATOM 239 CA CYS A 15 3.546 14.933 -0.439 1.00 0.00 C ATOM 240 C CYS A 15 4.740 13.980 -0.329 1.00 0.00 C ATOM 241 O CYS A 15 4.571 12.766 -0.247 1.00 0.00 O ATOM 242 CB CYS A 15 2.995 15.386 0.923 1.00 0.00 C ATOM 243 SG CYS A 15 2.074 14.160 1.892 1.00 0.00 S ATOM 0 H CYS A 15 1.774 13.860 -0.691 1.00 0.00 H new ATOM 0 HA CYS A 15 3.920 15.829 -0.934 1.00 0.00 H new ATOM 0 HB2 CYS A 15 3.832 15.735 1.527 1.00 0.00 H new ATOM 0 HB3 CYS A 15 2.343 16.244 0.756 1.00 0.00 H new ATOM 248 N SER A 16 5.963 14.513 -0.293 1.00 0.00 N ATOM 249 CA SER A 16 7.169 13.716 -0.108 1.00 0.00 C ATOM 250 C SER A 16 7.299 13.250 1.347 1.00 0.00 C ATOM 251 O SER A 16 8.233 13.645 2.042 1.00 0.00 O ATOM 252 CB SER A 16 8.382 14.544 -0.544 1.00 0.00 C ATOM 253 OG SER A 16 8.142 15.092 -1.827 1.00 0.00 O ATOM 0 H SER A 16 6.141 15.512 -0.392 1.00 0.00 H new ATOM 0 HA SER A 16 7.113 12.818 -0.724 1.00 0.00 H new ATOM 0 HB2 SER A 16 8.569 15.342 0.175 1.00 0.00 H new ATOM 0 HB3 SER A 16 9.274 13.918 -0.565 1.00 0.00 H new ATOM 0 HG SER A 16 8.917 15.623 -2.106 1.00 0.00 H new ATOM 259 N GLY A 17 6.365 12.416 1.809 1.00 0.00 N ATOM 260 CA GLY A 17 6.345 11.912 3.175 1.00 0.00 C ATOM 261 C GLY A 17 5.543 10.619 3.262 1.00 0.00 C ATOM 262 O GLY A 17 6.072 9.578 3.652 1.00 0.00 O ATOM 0 H GLY A 17 5.595 12.071 1.236 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.365 11.737 3.518 1.00 0.00 H new ATOM 0 HA3 GLY A 17 5.910 12.660 3.837 1.00 0.00 H new ATOM 266 N CYS A 18 4.263 10.679 2.889 1.00 0.00 N ATOM 267 CA CYS A 18 3.359 9.548 2.894 1.00 0.00 C ATOM 268 C CYS A 18 3.928 8.325 2.185 1.00 0.00 C ATOM 269 O CYS A 18 3.777 7.223 2.687 1.00 0.00 O ATOM 270 CB CYS A 18 2.057 9.983 2.250 1.00 0.00 C ATOM 271 SG CYS A 18 2.270 10.753 0.633 1.00 0.00 S ATOM 0 H CYS A 18 3.824 11.542 2.568 1.00 0.00 H new ATOM 0 HA CYS A 18 3.198 9.241 3.927 1.00 0.00 H new ATOM 0 HB2 CYS A 18 1.405 9.115 2.146 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.551 10.685 2.913 1.00 0.00 H new ATOM 276 N SER A 19 4.598 8.491 1.047 1.00 0.00 N ATOM 277 CA SER A 19 5.304 7.408 0.378 1.00 0.00 C ATOM 278 C SER A 19 6.199 6.661 1.375 1.00 0.00 C ATOM 279 O SER A 19 6.133 5.438 1.514 1.00 0.00 O ATOM 280 CB SER A 19 6.124 8.026 -0.756 1.00 0.00 C ATOM 281 OG SER A 19 6.742 9.220 -0.299 1.00 0.00 O ATOM 0 H SER A 19 4.665 9.386 0.563 1.00 0.00 H new ATOM 0 HA SER A 19 4.604 6.678 -0.029 1.00 0.00 H new ATOM 0 HB2 SER A 19 6.881 7.320 -1.098 1.00 0.00 H new ATOM 0 HB3 SER A 19 5.480 8.241 -1.609 1.00 0.00 H new ATOM 0 HG SER A 19 7.269 9.615 -1.025 1.00 0.00 H new ATOM 287 N GLY A 20 7.023 7.429 2.088 1.00 0.00 N ATOM 288 CA GLY A 20 7.887 6.932 3.142 1.00 0.00 C ATOM 289 C GLY A 20 7.071 6.292 4.263 1.00 0.00 C ATOM 290 O GLY A 20 7.458 5.256 4.798 1.00 0.00 O ATOM 0 H GLY A 20 7.105 8.435 1.940 1.00 0.00 H new ATOM 0 HA2 GLY A 20 8.584 6.201 2.732 1.00 0.00 H new ATOM 0 HA3 GLY A 20 8.484 7.751 3.544 1.00 0.00 H new ATOM 294 N ALA A 21 5.947 6.907 4.635 1.00 0.00 N ATOM 295 CA ALA A 21 5.096 6.417 5.709 1.00 0.00 C ATOM 296 C ALA A 21 4.474 5.056 5.362 1.00 0.00 C ATOM 297 O ALA A 21 4.540 4.121 6.160 1.00 0.00 O ATOM 298 CB ALA A 21 4.041 7.467 6.050 1.00 0.00 C ATOM 0 H ALA A 21 5.604 7.761 4.195 1.00 0.00 H new ATOM 0 HA ALA A 21 5.708 6.251 6.596 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.406 7.097 6.855 1.00 0.00 H new ATOM 0 HB2 ALA A 21 4.532 8.386 6.370 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.431 7.669 5.170 1.00 0.00 H new ATOM 304 N VAL A 22 3.896 4.914 4.166 1.00 0.00 N ATOM 305 CA VAL A 22 3.418 3.630 3.675 1.00 0.00 C ATOM 306 C VAL A 22 4.584 2.661 3.700 1.00 0.00 C ATOM 307 O VAL A 22 4.468 1.594 4.294 1.00 0.00 O ATOM 308 CB VAL A 22 2.789 3.725 2.271 1.00 0.00 C ATOM 309 CG1 VAL A 22 2.304 2.347 1.789 1.00 0.00 C ATOM 310 CG2 VAL A 22 1.576 4.655 2.283 1.00 0.00 C ATOM 0 H VAL A 22 3.749 5.687 3.517 1.00 0.00 H new ATOM 0 HA VAL A 22 2.616 3.276 4.323 1.00 0.00 H new ATOM 0 HB VAL A 22 3.561 4.109 1.604 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.865 2.443 0.796 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.148 1.658 1.747 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.555 1.962 2.481 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.148 4.707 1.282 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.829 4.270 2.978 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.885 5.652 2.598 1.00 0.00 H new ATOM 320 N ASN A 23 5.720 3.041 3.106 1.00 0.00 N ATOM 321 CA ASN A 23 6.874 2.158 3.094 1.00 0.00 C ATOM 322 C ASN A 23 7.209 1.672 4.508 1.00 0.00 C ATOM 323 O ASN A 23 7.405 0.483 4.735 1.00 0.00 O ATOM 324 CB ASN A 23 8.080 2.821 2.422 1.00 0.00 C ATOM 325 CG ASN A 23 9.191 1.805 2.167 1.00 0.00 C ATOM 326 OD1 ASN A 23 9.377 1.362 1.039 1.00 0.00 O ATOM 327 ND2 ASN A 23 9.947 1.424 3.193 1.00 0.00 N ATOM 0 H ASN A 23 5.857 3.937 2.638 1.00 0.00 H new ATOM 0 HA ASN A 23 6.617 1.282 2.498 1.00 0.00 H new ATOM 0 HB2 ASN A 23 7.772 3.273 1.479 1.00 0.00 H new ATOM 0 HB3 ASN A 23 8.456 3.626 3.054 1.00 0.00 H new ATOM 0 HD21 ASN A 23 10.699 0.750 3.050 1.00 0.00 H new ATOM 0 HD22 ASN A 23 9.774 1.806 4.123 1.00 0.00 H new ATOM 334 N LYS A 24 7.226 2.580 5.482 1.00 0.00 N ATOM 335 CA LYS A 24 7.432 2.238 6.877 1.00 0.00 C ATOM 336 C LYS A 24 6.412 1.228 7.387 1.00 0.00 C ATOM 337 O LYS A 24 6.773 0.280 8.084 1.00 0.00 O ATOM 338 CB LYS A 24 7.417 3.508 7.725 1.00 0.00 C ATOM 339 CG LYS A 24 8.756 4.243 7.639 1.00 0.00 C ATOM 340 CD LYS A 24 9.732 3.719 8.702 1.00 0.00 C ATOM 341 CE LYS A 24 11.067 4.473 8.626 1.00 0.00 C ATOM 342 NZ LYS A 24 11.976 4.114 9.737 1.00 0.00 N ATOM 0 H LYS A 24 7.096 3.578 5.318 1.00 0.00 H new ATOM 0 HA LYS A 24 8.407 1.758 6.962 1.00 0.00 H new ATOM 0 HB2 LYS A 24 6.616 4.165 7.387 1.00 0.00 H new ATOM 0 HB3 LYS A 24 7.204 3.253 8.763 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.186 4.110 6.646 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.599 5.313 7.778 1.00 0.00 H new ATOM 0 HD2 LYS A 24 9.296 3.838 9.694 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.901 2.652 8.554 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.553 4.253 7.676 1.00 0.00 H new ATOM 0 HE3 LYS A 24 10.878 5.546 8.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 12.864 4.647 9.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 11.525 4.348 10.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 12.179 3.095 9.704 1.00 0.00 H new ATOM 356 N VAL A 25 5.139 1.421 7.053 1.00 0.00 N ATOM 357 CA VAL A 25 4.135 0.413 7.340 1.00 0.00 C ATOM 358 C VAL A 25 4.494 -0.909 6.650 1.00 0.00 C ATOM 359 O VAL A 25 4.369 -1.968 7.267 1.00 0.00 O ATOM 360 CB VAL A 25 2.732 0.959 7.026 1.00 0.00 C ATOM 361 CG1 VAL A 25 1.642 -0.110 7.087 1.00 0.00 C ATOM 362 CG2 VAL A 25 2.374 2.038 8.056 1.00 0.00 C ATOM 0 H VAL A 25 4.785 2.258 6.589 1.00 0.00 H new ATOM 0 HA VAL A 25 4.118 0.179 8.404 1.00 0.00 H new ATOM 0 HB VAL A 25 2.770 1.349 6.009 1.00 0.00 H new ATOM 0 HG11 VAL A 25 0.677 0.341 6.856 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.860 -0.894 6.361 1.00 0.00 H new ATOM 0 HG13 VAL A 25 1.611 -0.541 8.088 1.00 0.00 H new ATOM 0 HG21 VAL A 25 1.380 2.431 7.841 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.384 1.604 9.056 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.103 2.847 8.004 1.00 0.00 H new ATOM 372 N LEU A 26 5.012 -0.866 5.418 1.00 0.00 N ATOM 373 CA LEU A 26 5.390 -2.087 4.709 1.00 0.00 C ATOM 374 C LEU A 26 6.459 -2.816 5.515 1.00 0.00 C ATOM 375 O LEU A 26 6.359 -4.025 5.702 1.00 0.00 O ATOM 376 CB LEU A 26 5.861 -1.851 3.262 1.00 0.00 C ATOM 377 CG LEU A 26 4.855 -1.158 2.333 1.00 0.00 C ATOM 378 CD1 LEU A 26 5.492 -0.945 0.955 1.00 0.00 C ATOM 379 CD2 LEU A 26 3.551 -1.948 2.175 1.00 0.00 C ATOM 0 H LEU A 26 5.177 -0.005 4.897 1.00 0.00 H new ATOM 0 HA LEU A 26 4.492 -2.699 4.620 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.772 -1.253 3.290 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.126 -2.814 2.825 1.00 0.00 H new ATOM 0 HG LEU A 26 4.601 -0.202 2.791 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.777 -0.453 0.296 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.380 -0.321 1.057 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.772 -1.909 0.531 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.878 -1.410 1.507 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.769 -2.930 1.756 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.077 -2.067 3.149 1.00 0.00 H new ATOM 391 N THR A 27 7.432 -2.081 6.059 1.00 0.00 N ATOM 392 CA THR A 27 8.488 -2.645 6.888 1.00 0.00 C ATOM 393 C THR A 27 7.960 -3.506 8.049 1.00 0.00 C ATOM 394 O THR A 27 8.643 -4.434 8.473 1.00 0.00 O ATOM 395 CB THR A 27 9.420 -1.520 7.365 1.00 0.00 C ATOM 396 OG1 THR A 27 9.566 -0.552 6.344 1.00 0.00 O ATOM 397 CG2 THR A 27 10.815 -2.047 7.711 1.00 0.00 C ATOM 0 H THR A 27 7.505 -1.071 5.933 1.00 0.00 H new ATOM 0 HA THR A 27 9.061 -3.339 6.273 1.00 0.00 H new ATOM 0 HB THR A 27 8.968 -1.086 8.257 1.00 0.00 H new ATOM 0 HG1 THR A 27 10.160 0.163 6.654 1.00 0.00 H new ATOM 0 HG21 THR A 27 11.444 -1.221 8.044 1.00 0.00 H new ATOM 0 HG22 THR A 27 10.737 -2.788 8.507 1.00 0.00 H new ATOM 0 HG23 THR A 27 11.259 -2.508 6.829 1.00 0.00 H new ATOM 405 N LYS A 28 6.756 -3.234 8.574 1.00 0.00 N ATOM 406 CA LYS A 28 6.155 -4.118 9.572 1.00 0.00 C ATOM 407 C LYS A 28 5.535 -5.356 8.920 1.00 0.00 C ATOM 408 O LYS A 28 5.525 -6.424 9.527 1.00 0.00 O ATOM 409 CB LYS A 28 5.088 -3.398 10.409 1.00 0.00 C ATOM 410 CG LYS A 28 5.652 -2.439 11.470 1.00 0.00 C ATOM 411 CD LYS A 28 5.604 -0.971 11.025 1.00 0.00 C ATOM 412 CE LYS A 28 5.600 -0.011 12.225 1.00 0.00 C ATOM 413 NZ LYS A 28 6.795 -0.160 13.081 1.00 0.00 N ATOM 0 H LYS A 28 6.191 -2.422 8.327 1.00 0.00 H new ATOM 0 HA LYS A 28 6.964 -4.428 10.233 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.436 -2.837 9.739 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.468 -4.145 10.905 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.086 -2.553 12.395 1.00 0.00 H new ATOM 0 HG3 LYS A 28 6.683 -2.714 11.691 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.463 -0.755 10.390 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.712 -0.803 10.422 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.544 1.016 11.863 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.706 -0.188 12.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.782 0.567 13.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.793 -1.103 13.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.652 -0.048 12.503 1.00 0.00 H new ATOM 427 N LEU A 29 4.969 -5.212 7.720 1.00 0.00 N ATOM 428 CA LEU A 29 4.270 -6.287 7.029 1.00 0.00 C ATOM 429 C LEU A 29 5.237 -7.216 6.283 1.00 0.00 C ATOM 430 O LEU A 29 4.847 -8.320 5.906 1.00 0.00 O ATOM 431 CB LEU A 29 3.247 -5.682 6.065 1.00 0.00 C ATOM 432 CG LEU A 29 2.283 -4.675 6.711 1.00 0.00 C ATOM 433 CD1 LEU A 29 1.461 -4.029 5.596 1.00 0.00 C ATOM 434 CD2 LEU A 29 1.365 -5.332 7.746 1.00 0.00 C ATOM 0 H LEU A 29 4.986 -4.335 7.199 1.00 0.00 H new ATOM 0 HA LEU A 29 3.759 -6.899 7.772 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.780 -5.187 5.253 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.665 -6.489 5.619 1.00 0.00 H new ATOM 0 HG LEU A 29 2.861 -3.924 7.249 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.766 -3.308 6.027 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.128 -3.519 4.901 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.901 -4.798 5.064 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.703 -4.580 8.174 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.770 -6.108 7.264 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.968 -5.777 8.537 1.00 0.00 H new ATOM 446 N GLU A 30 6.483 -6.781 6.054 1.00 0.00 N ATOM 447 CA GLU A 30 7.532 -7.573 5.423 1.00 0.00 C ATOM 448 C GLU A 30 7.518 -9.064 5.780 1.00 0.00 C ATOM 449 O GLU A 30 7.436 -9.877 4.863 1.00 0.00 O ATOM 450 CB GLU A 30 8.910 -6.944 5.682 1.00 0.00 C ATOM 451 CG GLU A 30 9.220 -5.868 4.643 1.00 0.00 C ATOM 452 CD GLU A 30 10.604 -5.254 4.832 1.00 0.00 C ATOM 453 OE1 GLU A 30 11.519 -6.016 5.213 1.00 0.00 O ATOM 454 OE2 GLU A 30 10.722 -4.033 4.591 1.00 0.00 O ATOM 0 H GLU A 30 6.791 -5.843 6.311 1.00 0.00 H new ATOM 0 HA GLU A 30 7.317 -7.547 4.355 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.934 -6.509 6.681 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.679 -7.716 5.652 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.151 -6.301 3.645 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.467 -5.083 4.702 1.00 0.00 H new ATOM 461 N PRO A 31 7.603 -9.473 7.057 1.00 0.00 N ATOM 462 CA PRO A 31 7.581 -10.885 7.417 1.00 0.00 C ATOM 463 C PRO A 31 6.162 -11.479 7.318 1.00 0.00 C ATOM 464 O PRO A 31 5.660 -12.045 8.287 1.00 0.00 O ATOM 465 CB PRO A 31 8.155 -10.931 8.841 1.00 0.00 C ATOM 466 CG PRO A 31 7.721 -9.585 9.422 1.00 0.00 C ATOM 467 CD PRO A 31 7.885 -8.653 8.223 1.00 0.00 C ATOM 0 HA PRO A 31 8.170 -11.498 6.735 1.00 0.00 H new ATOM 0 HB2 PRO A 31 7.753 -11.767 9.413 1.00 0.00 H new ATOM 0 HB3 PRO A 31 9.240 -11.040 8.837 1.00 0.00 H new ATOM 0 HG2 PRO A 31 6.693 -9.609 9.782 1.00 0.00 H new ATOM 0 HG3 PRO A 31 8.346 -9.283 10.262 1.00 0.00 H new ATOM 0 HD2 PRO A 31 7.199 -7.808 8.285 1.00 0.00 H new ATOM 0 HD3 PRO A 31 8.894 -8.242 8.180 1.00 0.00 H new ATOM 475 N ASP A 32 5.537 -11.370 6.140 1.00 0.00 N ATOM 476 CA ASP A 32 4.208 -11.863 5.784 1.00 0.00 C ATOM 477 C ASP A 32 3.993 -11.558 4.295 1.00 0.00 C ATOM 478 O ASP A 32 3.667 -12.432 3.493 1.00 0.00 O ATOM 479 CB ASP A 32 3.110 -11.200 6.640 1.00 0.00 C ATOM 480 CG ASP A 32 1.785 -11.956 6.610 1.00 0.00 C ATOM 481 OD1 ASP A 32 1.664 -12.931 5.836 1.00 0.00 O ATOM 482 OD2 ASP A 32 0.900 -11.546 7.389 1.00 0.00 O ATOM 0 H ASP A 32 5.984 -10.899 5.354 1.00 0.00 H new ATOM 0 HA ASP A 32 4.145 -12.934 5.974 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.456 -11.128 7.671 1.00 0.00 H new ATOM 0 HB3 ASP A 32 2.948 -10.182 6.286 1.00 0.00 H new ATOM 487 N VAL A 33 4.251 -10.300 3.913 1.00 0.00 N ATOM 488 CA VAL A 33 4.197 -9.856 2.526 1.00 0.00 C ATOM 489 C VAL A 33 5.289 -10.553 1.706 1.00 0.00 C ATOM 490 O VAL A 33 6.368 -10.844 2.213 1.00 0.00 O ATOM 491 CB VAL A 33 4.329 -8.323 2.487 1.00 0.00 C ATOM 492 CG1 VAL A 33 4.489 -7.749 1.075 1.00 0.00 C ATOM 493 CG2 VAL A 33 3.130 -7.636 3.152 1.00 0.00 C ATOM 0 H VAL A 33 4.505 -9.561 4.568 1.00 0.00 H new ATOM 0 HA VAL A 33 3.241 -10.127 2.078 1.00 0.00 H new ATOM 0 HB VAL A 33 5.244 -8.115 3.041 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.576 -6.664 1.131 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.386 -8.162 0.614 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.619 -8.013 0.474 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.258 -6.555 3.105 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.215 -7.916 2.630 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.063 -7.949 4.194 1.00 0.00 H new ATOM 503 N SER A 34 5.012 -10.814 0.425 1.00 0.00 N ATOM 504 CA SER A 34 5.960 -11.434 -0.489 1.00 0.00 C ATOM 505 C SER A 34 6.739 -10.366 -1.257 1.00 0.00 C ATOM 506 O SER A 34 7.960 -10.453 -1.368 1.00 0.00 O ATOM 507 CB SER A 34 5.203 -12.359 -1.444 1.00 0.00 C ATOM 508 OG SER A 34 6.091 -13.068 -2.284 1.00 0.00 O ATOM 0 H SER A 34 4.113 -10.597 -0.005 1.00 0.00 H new ATOM 0 HA SER A 34 6.682 -12.024 0.076 1.00 0.00 H new ATOM 0 HB2 SER A 34 4.601 -13.064 -0.870 1.00 0.00 H new ATOM 0 HB3 SER A 34 4.514 -11.773 -2.052 1.00 0.00 H new ATOM 0 HG SER A 34 5.607 -13.394 -3.071 1.00 0.00 H new ATOM 514 N LYS A 35 6.037 -9.375 -1.817 1.00 0.00 N ATOM 515 CA LYS A 35 6.651 -8.355 -2.657 1.00 0.00 C ATOM 516 C LYS A 35 5.835 -7.069 -2.557 1.00 0.00 C ATOM 517 O LYS A 35 4.653 -7.117 -2.215 1.00 0.00 O ATOM 518 CB LYS A 35 6.754 -8.881 -4.098 1.00 0.00 C ATOM 519 CG LYS A 35 7.771 -8.113 -4.950 1.00 0.00 C ATOM 520 CD LYS A 35 8.010 -8.904 -6.240 1.00 0.00 C ATOM 521 CE LYS A 35 9.040 -8.195 -7.130 1.00 0.00 C ATOM 522 NZ LYS A 35 9.395 -9.007 -8.313 1.00 0.00 N ATOM 0 H LYS A 35 5.030 -9.262 -1.698 1.00 0.00 H new ATOM 0 HA LYS A 35 7.663 -8.128 -2.321 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.032 -9.935 -4.074 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.774 -8.820 -4.571 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.398 -7.115 -5.180 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.706 -7.986 -4.404 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.361 -9.907 -5.997 1.00 0.00 H new ATOM 0 HD3 LYS A 35 7.071 -9.017 -6.782 1.00 0.00 H new ATOM 0 HE2 LYS A 35 8.640 -7.235 -7.455 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.939 -7.986 -6.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 10.093 -8.494 -8.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.800 -9.913 -8.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.542 -9.186 -8.880 1.00 0.00 H new ATOM 536 N ILE A 36 6.468 -5.928 -2.834 1.00 0.00 N ATOM 537 CA ILE A 36 5.866 -4.609 -2.796 1.00 0.00 C ATOM 538 C ILE A 36 6.333 -3.849 -4.028 1.00 0.00 C ATOM 539 O ILE A 36 7.427 -4.137 -4.516 1.00 0.00 O ATOM 540 CB ILE A 36 6.281 -3.874 -1.506 1.00 0.00 C ATOM 541 CG1 ILE A 36 7.773 -3.492 -1.391 1.00 0.00 C ATOM 542 CG2 ILE A 36 5.904 -4.715 -0.282 1.00 0.00 C ATOM 543 CD1 ILE A 36 8.113 -2.118 -1.986 1.00 0.00 C ATOM 0 H ILE A 36 7.452 -5.905 -3.101 1.00 0.00 H new ATOM 0 HA ILE A 36 4.778 -4.683 -2.797 1.00 0.00 H new ATOM 0 HB ILE A 36 5.735 -2.932 -1.550 1.00 0.00 H new ATOM 0 HG12 ILE A 36 8.060 -3.502 -0.340 1.00 0.00 H new ATOM 0 HG13 ILE A 36 8.372 -4.252 -1.893 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.200 -4.189 0.626 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.826 -4.879 -0.271 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.417 -5.676 -0.329 1.00 0.00 H new ATOM 0 HD11 ILE A 36 9.179 -1.923 -1.866 1.00 0.00 H new ATOM 0 HD12 ILE A 36 7.859 -2.108 -3.046 1.00 0.00 H new ATOM 0 HD13 ILE A 36 7.543 -1.346 -1.469 1.00 0.00 H new ATOM 555 N ASP A 37 5.542 -2.875 -4.485 1.00 0.00 N ATOM 556 CA ASP A 37 5.992 -1.826 -5.387 1.00 0.00 C ATOM 557 C ASP A 37 5.123 -0.591 -5.162 1.00 0.00 C ATOM 558 O ASP A 37 3.947 -0.705 -4.822 1.00 0.00 O ATOM 559 CB ASP A 37 5.947 -2.287 -6.851 1.00 0.00 C ATOM 560 CG ASP A 37 7.340 -2.404 -7.453 1.00 0.00 C ATOM 561 OD1 ASP A 37 8.042 -1.370 -7.425 1.00 0.00 O ATOM 562 OD2 ASP A 37 7.673 -3.509 -7.936 1.00 0.00 O ATOM 0 H ASP A 37 4.557 -2.797 -4.232 1.00 0.00 H new ATOM 0 HA ASP A 37 7.033 -1.583 -5.174 1.00 0.00 H new ATOM 0 HB2 ASP A 37 5.443 -3.252 -6.912 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.357 -1.581 -7.436 1.00 0.00 H new ATOM 567 N ILE A 38 5.715 0.596 -5.287 1.00 0.00 N ATOM 568 CA ILE A 38 5.151 1.865 -4.904 1.00 0.00 C ATOM 569 C ILE A 38 5.415 2.882 -6.023 1.00 0.00 C ATOM 570 O ILE A 38 6.533 2.940 -6.530 1.00 0.00 O ATOM 571 CB ILE A 38 5.840 2.208 -3.572 1.00 0.00 C ATOM 572 CG1 ILE A 38 5.072 3.311 -2.869 1.00 0.00 C ATOM 573 CG2 ILE A 38 7.325 2.593 -3.720 1.00 0.00 C ATOM 574 CD1 ILE A 38 5.351 3.276 -1.368 1.00 0.00 C ATOM 0 H ILE A 38 6.651 0.690 -5.681 1.00 0.00 H new ATOM 0 HA ILE A 38 4.070 1.860 -4.766 1.00 0.00 H new ATOM 0 HB ILE A 38 5.829 1.299 -2.971 1.00 0.00 H new ATOM 0 HG12 ILE A 38 5.359 4.280 -3.277 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.004 3.192 -3.050 1.00 0.00 H new ATOM 0 HG21 ILE A 38 7.741 2.821 -2.739 1.00 0.00 H new ATOM 0 HG22 ILE A 38 7.874 1.762 -4.163 1.00 0.00 H new ATOM 0 HG23 ILE A 38 7.411 3.469 -4.363 1.00 0.00 H new ATOM 0 HD11 ILE A 38 4.794 4.073 -0.876 1.00 0.00 H new ATOM 0 HD12 ILE A 38 5.041 2.313 -0.963 1.00 0.00 H new ATOM 0 HD13 ILE A 38 6.417 3.417 -1.193 1.00 0.00 H new ATOM 586 N SER A 39 4.411 3.666 -6.442 1.00 0.00 N ATOM 587 CA SER A 39 4.552 4.611 -7.544 1.00 0.00 C ATOM 588 C SER A 39 3.865 5.932 -7.194 1.00 0.00 C ATOM 589 O SER A 39 2.637 6.026 -7.218 1.00 0.00 O ATOM 590 CB SER A 39 3.962 4.001 -8.820 1.00 0.00 C ATOM 591 OG SER A 39 4.158 4.863 -9.930 1.00 0.00 O ATOM 0 H SER A 39 3.481 3.658 -6.022 1.00 0.00 H new ATOM 0 HA SER A 39 5.608 4.818 -7.716 1.00 0.00 H new ATOM 0 HB2 SER A 39 4.429 3.036 -9.017 1.00 0.00 H new ATOM 0 HB3 SER A 39 2.897 3.817 -8.681 1.00 0.00 H new ATOM 0 HG SER A 39 3.775 4.453 -10.734 1.00 0.00 H new ATOM 597 N LEU A 40 4.668 6.961 -6.899 1.00 0.00 N ATOM 598 CA LEU A 40 4.185 8.327 -6.751 1.00 0.00 C ATOM 599 C LEU A 40 3.603 8.827 -8.074 1.00 0.00 C ATOM 600 O LEU A 40 2.457 9.268 -8.095 1.00 0.00 O ATOM 601 CB LEU A 40 5.296 9.258 -6.245 1.00 0.00 C ATOM 602 CG LEU A 40 5.620 9.005 -4.760 1.00 0.00 C ATOM 603 CD1 LEU A 40 6.963 8.285 -4.591 1.00 0.00 C ATOM 604 CD2 LEU A 40 5.644 10.338 -4.006 1.00 0.00 C ATOM 0 H LEU A 40 5.673 6.863 -6.757 1.00 0.00 H new ATOM 0 HA LEU A 40 3.392 8.332 -6.003 1.00 0.00 H new ATOM 0 HB2 LEU A 40 6.195 9.111 -6.844 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.990 10.296 -6.379 1.00 0.00 H new ATOM 0 HG LEU A 40 4.843 8.361 -4.348 1.00 0.00 H new ATOM 0 HD11 LEU A 40 7.158 8.123 -3.531 1.00 0.00 H new ATOM 0 HD12 LEU A 40 6.928 7.324 -5.104 1.00 0.00 H new ATOM 0 HD13 LEU A 40 7.759 8.895 -5.018 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.873 10.158 -2.956 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.406 10.987 -4.438 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.670 10.820 -4.087 1.00 0.00 H new ATOM 616 N GLU A 41 4.371 8.754 -9.171 1.00 0.00 N ATOM 617 CA GLU A 41 3.940 9.218 -10.490 1.00 0.00 C ATOM 618 C GLU A 41 2.489 8.838 -10.777 1.00 0.00 C ATOM 619 O GLU A 41 1.655 9.695 -11.059 1.00 0.00 O ATOM 620 CB GLU A 41 4.830 8.620 -11.588 1.00 0.00 C ATOM 621 CG GLU A 41 6.091 9.449 -11.853 1.00 0.00 C ATOM 622 CD GLU A 41 6.898 8.885 -13.020 1.00 0.00 C ATOM 623 OE1 GLU A 41 6.405 7.921 -13.648 1.00 0.00 O ATOM 624 OE2 GLU A 41 7.992 9.435 -13.261 1.00 0.00 O ATOM 0 H GLU A 41 5.315 8.368 -9.164 1.00 0.00 H new ATOM 0 HA GLU A 41 4.026 10.305 -10.488 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.120 7.609 -11.303 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.255 8.538 -12.510 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.811 10.480 -12.068 1.00 0.00 H new ATOM 0 HG3 GLU A 41 6.710 9.467 -10.956 1.00 0.00 H new ATOM 631 N LYS A 42 2.192 7.539 -10.707 1.00 0.00 N ATOM 632 CA LYS A 42 0.882 7.027 -11.073 1.00 0.00 C ATOM 633 C LYS A 42 -0.014 6.840 -9.843 1.00 0.00 C ATOM 634 O LYS A 42 -0.984 6.088 -9.910 1.00 0.00 O ATOM 635 CB LYS A 42 1.052 5.776 -11.927 1.00 0.00 C ATOM 636 CG LYS A 42 1.790 6.225 -13.195 1.00 0.00 C ATOM 637 CD LYS A 42 1.936 5.099 -14.199 1.00 0.00 C ATOM 638 CE LYS A 42 0.605 4.670 -14.833 1.00 0.00 C ATOM 639 NZ LYS A 42 0.816 3.796 -16.005 1.00 0.00 N ATOM 0 H LYS A 42 2.850 6.823 -10.397 1.00 0.00 H new ATOM 0 HA LYS A 42 0.352 7.758 -11.684 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.621 5.014 -11.394 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.085 5.338 -12.173 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.249 7.052 -13.655 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.777 6.600 -12.926 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.621 5.412 -14.987 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.389 4.239 -13.706 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.001 4.146 -14.092 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.044 5.554 -15.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -0.104 3.526 -16.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 1.371 4.305 -16.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 1.330 2.941 -15.712 1.00 0.00 H new ATOM 653 N GLN A 43 0.300 7.539 -8.740 1.00 0.00 N ATOM 654 CA GLN A 43 -0.384 7.498 -7.455 1.00 0.00 C ATOM 655 C GLN A 43 -0.922 6.106 -7.118 1.00 0.00 C ATOM 656 O GLN A 43 -2.099 5.973 -6.776 1.00 0.00 O ATOM 657 CB GLN A 43 -1.492 8.559 -7.472 1.00 0.00 C ATOM 658 CG GLN A 43 -0.929 9.970 -7.693 1.00 0.00 C ATOM 659 CD GLN A 43 -0.402 10.584 -6.399 1.00 0.00 C ATOM 660 OE1 GLN A 43 -1.170 10.987 -5.530 1.00 0.00 O ATOM 661 NE2 GLN A 43 0.916 10.652 -6.263 1.00 0.00 N ATOM 0 H GLN A 43 1.089 8.186 -8.731 1.00 0.00 H new ATOM 0 HA GLN A 43 0.328 7.722 -6.661 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -2.206 8.325 -8.261 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -2.038 8.529 -6.529 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -0.125 9.929 -8.428 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -1.708 10.610 -8.107 1.00 0.00 H new ATOM 0 HE21 GLN A 43 1.524 10.307 -7.006 1.00 0.00 H new ATOM 0 HE22 GLN A 43 1.321 11.049 -5.415 1.00 0.00 H new ATOM 670 N LEU A 44 -0.082 5.066 -7.217 1.00 0.00 N ATOM 671 CA LEU A 44 -0.536 3.702 -6.994 1.00 0.00 C ATOM 672 C LEU A 44 0.496 2.885 -6.241 1.00 0.00 C ATOM 673 O LEU A 44 1.671 3.249 -6.165 1.00 0.00 O ATOM 674 CB LEU A 44 -1.059 3.047 -8.281 1.00 0.00 C ATOM 675 CG LEU A 44 0.032 2.666 -9.285 1.00 0.00 C ATOM 676 CD1 LEU A 44 0.639 1.285 -9.000 1.00 0.00 C ATOM 677 CD2 LEU A 44 -0.556 2.644 -10.699 1.00 0.00 C ATOM 0 H LEU A 44 0.908 5.151 -7.449 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.404 3.739 -6.336 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.621 2.151 -8.016 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.758 3.730 -8.764 1.00 0.00 H new ATOM 0 HG LEU A 44 0.820 3.413 -9.193 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.407 1.065 -9.742 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.084 1.281 -8.005 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.142 0.527 -9.051 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.222 2.373 -11.412 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.363 1.913 -10.746 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.946 3.631 -10.946 1.00 0.00 H new ATOM 689 N VAL A 45 0.014 1.805 -5.636 1.00 0.00 N ATOM 690 CA VAL A 45 0.727 0.992 -4.678 1.00 0.00 C ATOM 691 C VAL A 45 0.303 -0.451 -4.935 1.00 0.00 C ATOM 692 O VAL A 45 -0.885 -0.748 -4.829 1.00 0.00 O ATOM 693 CB VAL A 45 0.324 1.499 -3.282 1.00 0.00 C ATOM 694 CG1 VAL A 45 0.847 0.628 -2.147 1.00 0.00 C ATOM 695 CG2 VAL A 45 0.851 2.921 -3.074 1.00 0.00 C ATOM 0 H VAL A 45 -0.930 1.463 -5.814 1.00 0.00 H new ATOM 0 HA VAL A 45 1.813 1.048 -4.757 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.765 1.467 -3.252 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.526 1.043 -1.192 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.454 -0.383 -2.253 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.936 0.599 -2.182 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.563 3.275 -2.084 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.938 2.922 -3.157 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.428 3.580 -3.832 1.00 0.00 H new ATOM 705 N ASP A 46 1.246 -1.326 -5.289 1.00 0.00 N ATOM 706 CA ASP A 46 0.998 -2.731 -5.577 1.00 0.00 C ATOM 707 C ASP A 46 1.635 -3.550 -4.454 1.00 0.00 C ATOM 708 O ASP A 46 2.788 -3.307 -4.096 1.00 0.00 O ATOM 709 CB ASP A 46 1.607 -3.113 -6.935 1.00 0.00 C ATOM 710 CG ASP A 46 0.985 -2.362 -8.106 1.00 0.00 C ATOM 711 OD1 ASP A 46 -0.223 -2.571 -8.350 1.00 0.00 O ATOM 712 OD2 ASP A 46 1.726 -1.598 -8.758 1.00 0.00 O ATOM 0 H ASP A 46 2.228 -1.065 -5.384 1.00 0.00 H new ATOM 0 HA ASP A 46 -0.073 -2.928 -5.630 1.00 0.00 H new ATOM 0 HB2 ASP A 46 2.679 -2.915 -6.913 1.00 0.00 H new ATOM 0 HB3 ASP A 46 1.484 -4.184 -7.092 1.00 0.00 H new ATOM 717 N VAL A 47 0.899 -4.500 -3.866 1.00 0.00 N ATOM 718 CA VAL A 47 1.402 -5.306 -2.755 1.00 0.00 C ATOM 719 C VAL A 47 1.007 -6.759 -2.987 1.00 0.00 C ATOM 720 O VAL A 47 -0.152 -7.046 -3.268 1.00 0.00 O ATOM 721 CB VAL A 47 0.886 -4.785 -1.400 1.00 0.00 C ATOM 722 CG1 VAL A 47 1.541 -5.550 -0.242 1.00 0.00 C ATOM 723 CG2 VAL A 47 1.181 -3.290 -1.218 1.00 0.00 C ATOM 0 H VAL A 47 -0.055 -4.728 -4.146 1.00 0.00 H new ATOM 0 HA VAL A 47 2.489 -5.232 -2.717 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.193 -4.941 -1.393 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.164 -5.167 0.706 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.303 -6.610 -0.326 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.622 -5.416 -0.283 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.802 -2.959 -0.251 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.257 -3.123 -1.262 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.693 -2.724 -2.011 1.00 0.00 H new ATOM 733 N TYR A 48 1.975 -7.668 -2.882 1.00 0.00 N ATOM 734 CA TYR A 48 1.816 -9.081 -3.165 1.00 0.00 C ATOM 735 C TYR A 48 1.880 -9.798 -1.824 1.00 0.00 C ATOM 736 O TYR A 48 2.962 -9.896 -1.239 1.00 0.00 O ATOM 737 CB TYR A 48 2.929 -9.538 -4.113 1.00 0.00 C ATOM 738 CG TYR A 48 2.924 -8.870 -5.480 1.00 0.00 C ATOM 739 CD1 TYR A 48 3.260 -7.507 -5.621 1.00 0.00 C ATOM 740 CD2 TYR A 48 2.621 -9.627 -6.628 1.00 0.00 C ATOM 741 CE1 TYR A 48 3.200 -6.887 -6.881 1.00 0.00 C ATOM 742 CE2 TYR A 48 2.645 -9.025 -7.897 1.00 0.00 C ATOM 743 CZ TYR A 48 2.895 -7.648 -8.021 1.00 0.00 C ATOM 744 OH TYR A 48 2.882 -7.072 -9.254 1.00 0.00 O ATOM 0 H TYR A 48 2.921 -7.426 -2.587 1.00 0.00 H new ATOM 0 HA TYR A 48 0.869 -9.302 -3.658 1.00 0.00 H new ATOM 0 HB2 TYR A 48 3.891 -9.350 -3.637 1.00 0.00 H new ATOM 0 HB3 TYR A 48 2.848 -10.616 -4.252 1.00 0.00 H new ATOM 0 HD1 TYR A 48 3.565 -6.937 -4.756 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.370 -10.673 -6.533 1.00 0.00 H new ATOM 0 HE1 TYR A 48 3.388 -5.827 -6.972 1.00 0.00 H new ATOM 0 HE2 TYR A 48 2.471 -9.622 -8.780 1.00 0.00 H new ATOM 0 HH TYR A 48 1.977 -6.758 -9.459 1.00 0.00 H new ATOM 754 N THR A 49 0.735 -10.243 -1.298 1.00 0.00 N ATOM 755 CA THR A 49 0.659 -10.753 0.060 1.00 0.00 C ATOM 756 C THR A 49 -0.535 -11.683 0.251 1.00 0.00 C ATOM 757 O THR A 49 -1.409 -11.809 -0.601 1.00 0.00 O ATOM 758 CB THR A 49 0.662 -9.586 1.067 1.00 0.00 C ATOM 759 OG1 THR A 49 0.662 -10.071 2.396 1.00 0.00 O ATOM 760 CG2 THR A 49 -0.534 -8.646 0.894 1.00 0.00 C ATOM 0 H THR A 49 -0.152 -10.257 -1.801 1.00 0.00 H new ATOM 0 HA THR A 49 1.545 -11.359 0.250 1.00 0.00 H new ATOM 0 HB THR A 49 1.572 -9.021 0.866 1.00 0.00 H new ATOM 0 HG1 THR A 49 0.505 -9.328 3.015 1.00 0.00 H new ATOM 0 HG21 THR A 49 -0.477 -7.845 1.631 1.00 0.00 H new ATOM 0 HG22 THR A 49 -0.519 -8.219 -0.109 1.00 0.00 H new ATOM 0 HG23 THR A 49 -1.459 -9.204 1.036 1.00 0.00 H new ATOM 768 N THR A 50 -0.533 -12.302 1.420 1.00 0.00 N ATOM 769 CA THR A 50 -1.516 -13.147 2.058 1.00 0.00 C ATOM 770 C THR A 50 -2.606 -12.273 2.689 1.00 0.00 C ATOM 771 O THR A 50 -3.786 -12.617 2.656 1.00 0.00 O ATOM 772 CB THR A 50 -0.728 -13.836 3.187 1.00 0.00 C ATOM 773 OG1 THR A 50 0.057 -12.819 3.796 1.00 0.00 O ATOM 774 CG2 THR A 50 0.217 -14.905 2.629 1.00 0.00 C ATOM 0 H THR A 50 0.281 -12.204 2.027 1.00 0.00 H new ATOM 0 HA THR A 50 -1.990 -13.843 1.366 1.00 0.00 H new ATOM 0 HB THR A 50 -1.412 -14.320 3.884 1.00 0.00 H new ATOM 0 HG1 THR A 50 0.745 -13.230 4.360 1.00 0.00 H new ATOM 0 HG21 THR A 50 0.760 -15.374 3.449 1.00 0.00 H new ATOM 0 HG22 THR A 50 -0.362 -15.660 2.097 1.00 0.00 H new ATOM 0 HG23 THR A 50 0.926 -14.442 1.943 1.00 0.00 H new ATOM 782 N LEU A 51 -2.191 -11.164 3.308 1.00 0.00 N ATOM 783 CA LEU A 51 -3.044 -10.321 4.135 1.00 0.00 C ATOM 784 C LEU A 51 -4.239 -9.774 3.341 1.00 0.00 C ATOM 785 O LEU A 51 -4.069 -9.368 2.192 1.00 0.00 O ATOM 786 CB LEU A 51 -2.209 -9.169 4.703 1.00 0.00 C ATOM 787 CG LEU A 51 -1.200 -9.624 5.769 1.00 0.00 C ATOM 788 CD1 LEU A 51 -0.184 -8.503 6.003 1.00 0.00 C ATOM 789 CD2 LEU A 51 -1.905 -9.960 7.091 1.00 0.00 C ATOM 0 H LEU A 51 -1.231 -10.824 3.244 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.446 -10.925 4.949 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.673 -8.681 3.889 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.876 -8.424 5.137 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.698 -10.524 5.413 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.536 -8.817 6.758 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.338 -8.285 5.071 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.703 -7.608 6.346 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.166 -10.279 7.826 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.427 -9.077 7.460 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.623 -10.763 6.926 1.00 0.00 H new ATOM 801 N PRO A 52 -5.446 -9.744 3.934 1.00 0.00 N ATOM 802 CA PRO A 52 -6.659 -9.388 3.220 1.00 0.00 C ATOM 803 C PRO A 52 -6.702 -7.904 2.833 1.00 0.00 C ATOM 804 O PRO A 52 -6.228 -7.035 3.567 1.00 0.00 O ATOM 805 CB PRO A 52 -7.822 -9.785 4.138 1.00 0.00 C ATOM 806 CG PRO A 52 -7.209 -9.779 5.537 1.00 0.00 C ATOM 807 CD PRO A 52 -5.752 -10.172 5.291 1.00 0.00 C ATOM 0 HA PRO A 52 -6.715 -9.915 2.267 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -8.649 -9.079 4.062 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -8.217 -10.768 3.880 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -7.286 -8.797 6.005 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -7.710 -10.487 6.197 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -5.091 -9.690 6.011 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.614 -11.248 5.402 1.00 0.00 H new ATOM 815 N TYR A 53 -7.314 -7.647 1.672 1.00 0.00 N ATOM 816 CA TYR A 53 -7.531 -6.357 1.026 1.00 0.00 C ATOM 817 C TYR A 53 -7.748 -5.215 2.032 1.00 0.00 C ATOM 818 O TYR A 53 -6.951 -4.275 2.097 1.00 0.00 O ATOM 819 CB TYR A 53 -8.722 -6.550 0.070 1.00 0.00 C ATOM 820 CG TYR A 53 -9.130 -5.368 -0.787 1.00 0.00 C ATOM 821 CD1 TYR A 53 -8.208 -4.779 -1.672 1.00 0.00 C ATOM 822 CD2 TYR A 53 -10.481 -4.973 -0.829 1.00 0.00 C ATOM 823 CE1 TYR A 53 -8.611 -3.731 -2.519 1.00 0.00 C ATOM 824 CE2 TYR A 53 -10.895 -3.965 -1.715 1.00 0.00 C ATOM 825 CZ TYR A 53 -9.956 -3.319 -2.534 1.00 0.00 C ATOM 826 OH TYR A 53 -10.320 -2.177 -3.179 1.00 0.00 O ATOM 0 H TYR A 53 -7.703 -8.407 1.114 1.00 0.00 H new ATOM 0 HA TYR A 53 -6.643 -6.048 0.474 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -8.489 -7.382 -0.594 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -9.586 -6.849 0.664 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -7.188 -5.133 -1.701 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -11.201 -5.447 -0.178 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -7.889 -3.243 -3.157 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -11.937 -3.687 -1.766 1.00 0.00 H new ATOM 0 HH TYR A 53 -10.497 -2.376 -4.122 1.00 0.00 H new ATOM 836 N ASP A 54 -8.819 -5.311 2.824 1.00 0.00 N ATOM 837 CA ASP A 54 -9.236 -4.351 3.841 1.00 0.00 C ATOM 838 C ASP A 54 -8.090 -3.967 4.771 1.00 0.00 C ATOM 839 O ASP A 54 -7.892 -2.788 5.070 1.00 0.00 O ATOM 840 CB ASP A 54 -10.405 -4.947 4.636 1.00 0.00 C ATOM 841 CG ASP A 54 -11.532 -5.392 3.717 1.00 0.00 C ATOM 842 OD1 ASP A 54 -11.272 -6.360 2.965 1.00 0.00 O ATOM 843 OD2 ASP A 54 -12.600 -4.747 3.757 1.00 0.00 O ATOM 0 H ASP A 54 -9.453 -6.108 2.767 1.00 0.00 H new ATOM 0 HA ASP A 54 -9.554 -3.435 3.344 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -10.053 -5.797 5.221 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -10.781 -4.207 5.343 1.00 0.00 H new ATOM 848 N PHE A 55 -7.328 -4.968 5.222 1.00 0.00 N ATOM 849 CA PHE A 55 -6.196 -4.759 6.112 1.00 0.00 C ATOM 850 C PHE A 55 -5.241 -3.764 5.466 1.00 0.00 C ATOM 851 O PHE A 55 -4.819 -2.798 6.100 1.00 0.00 O ATOM 852 CB PHE A 55 -5.488 -6.088 6.396 1.00 0.00 C ATOM 853 CG PHE A 55 -4.717 -6.100 7.697 1.00 0.00 C ATOM 854 CD1 PHE A 55 -5.433 -6.055 8.905 1.00 0.00 C ATOM 855 CD2 PHE A 55 -3.327 -6.315 7.716 1.00 0.00 C ATOM 856 CE1 PHE A 55 -4.779 -6.288 10.122 1.00 0.00 C ATOM 857 CE2 PHE A 55 -2.676 -6.582 8.934 1.00 0.00 C ATOM 858 CZ PHE A 55 -3.407 -6.596 10.136 1.00 0.00 C ATOM 0 H PHE A 55 -7.484 -5.946 4.976 1.00 0.00 H new ATOM 0 HA PHE A 55 -6.544 -4.359 7.064 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -6.229 -6.887 6.416 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -4.804 -6.307 5.576 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -6.491 -5.840 8.895 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -2.761 -6.275 6.797 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -5.329 -6.231 11.050 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -1.614 -6.776 8.946 1.00 0.00 H new ATOM 0 HZ PHE A 55 -2.916 -6.842 11.066 1.00 0.00 H new ATOM 868 N ILE A 56 -4.914 -4.003 4.194 1.00 0.00 N ATOM 869 CA ILE A 56 -3.985 -3.169 3.465 1.00 0.00 C ATOM 870 C ILE A 56 -4.584 -1.777 3.238 1.00 0.00 C ATOM 871 O ILE A 56 -3.906 -0.788 3.509 1.00 0.00 O ATOM 872 CB ILE A 56 -3.528 -3.853 2.171 1.00 0.00 C ATOM 873 CG1 ILE A 56 -3.061 -5.307 2.374 1.00 0.00 C ATOM 874 CG2 ILE A 56 -2.397 -3.021 1.555 1.00 0.00 C ATOM 875 CD1 ILE A 56 -1.978 -5.465 3.446 1.00 0.00 C ATOM 0 H ILE A 56 -5.290 -4.780 3.651 1.00 0.00 H new ATOM 0 HA ILE A 56 -3.084 -3.029 4.062 1.00 0.00 H new ATOM 0 HB ILE A 56 -4.390 -3.905 1.505 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.920 -5.920 2.646 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.681 -5.692 1.428 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.059 -3.493 0.633 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -2.761 -2.017 1.337 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.566 -2.961 2.257 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.701 -6.516 3.531 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.102 -4.880 3.167 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.360 -5.112 4.404 1.00 0.00 H new ATOM 887 N LEU A 57 -5.840 -1.674 2.780 1.00 0.00 N ATOM 888 CA LEU A 57 -6.508 -0.384 2.638 1.00 0.00 C ATOM 889 C LEU A 57 -6.386 0.466 3.906 1.00 0.00 C ATOM 890 O LEU A 57 -5.954 1.620 3.837 1.00 0.00 O ATOM 891 CB LEU A 57 -7.974 -0.596 2.281 1.00 0.00 C ATOM 892 CG LEU A 57 -8.123 -1.191 0.885 1.00 0.00 C ATOM 893 CD1 LEU A 57 -9.431 -1.954 0.827 1.00 0.00 C ATOM 894 CD2 LEU A 57 -8.109 -0.089 -0.161 1.00 0.00 C ATOM 0 H LEU A 57 -6.410 -2.473 2.503 1.00 0.00 H new ATOM 0 HA LEU A 57 -6.013 0.161 1.834 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.437 -1.259 3.012 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -8.504 0.355 2.332 1.00 0.00 H new ATOM 0 HG LEU A 57 -7.291 -1.864 0.677 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -9.556 -2.388 -0.165 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -9.421 -2.750 1.572 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -10.258 -1.274 1.033 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -8.216 -0.528 -1.153 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -8.935 0.598 0.023 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -7.166 0.454 -0.104 1.00 0.00 H new ATOM 906 N GLU A 58 -6.760 -0.109 5.057 1.00 0.00 N ATOM 907 CA GLU A 58 -6.565 0.527 6.352 1.00 0.00 C ATOM 908 C GLU A 58 -5.102 0.930 6.506 1.00 0.00 C ATOM 909 O GLU A 58 -4.822 2.117 6.620 1.00 0.00 O ATOM 910 CB GLU A 58 -6.987 -0.420 7.495 1.00 0.00 C ATOM 911 CG GLU A 58 -8.348 -0.064 8.127 1.00 0.00 C ATOM 912 CD GLU A 58 -8.249 0.686 9.459 1.00 0.00 C ATOM 913 OE1 GLU A 58 -7.148 0.715 10.054 1.00 0.00 O ATOM 914 OE2 GLU A 58 -9.278 1.234 9.899 1.00 0.00 O ATOM 0 H GLU A 58 -7.204 -1.026 5.109 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.190 1.418 6.406 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -7.030 -1.440 7.112 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.221 -0.403 8.270 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.914 0.545 7.422 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -8.914 -0.982 8.282 1.00 0.00 H new ATOM 921 N LYS A 59 -4.185 -0.046 6.517 1.00 0.00 N ATOM 922 CA LYS A 59 -2.753 0.172 6.715 1.00 0.00 C ATOM 923 C LYS A 59 -2.233 1.361 5.909 1.00 0.00 C ATOM 924 O LYS A 59 -1.530 2.204 6.460 1.00 0.00 O ATOM 925 CB LYS A 59 -1.967 -1.107 6.379 1.00 0.00 C ATOM 926 CG LYS A 59 -1.497 -1.902 7.604 1.00 0.00 C ATOM 927 CD LYS A 59 -2.609 -2.269 8.594 1.00 0.00 C ATOM 928 CE LYS A 59 -2.019 -3.158 9.696 1.00 0.00 C ATOM 929 NZ LYS A 59 -3.041 -3.561 10.680 1.00 0.00 N ATOM 0 H LYS A 59 -4.427 -1.028 6.385 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.600 0.413 7.767 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -2.592 -1.751 5.761 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.097 -0.838 5.780 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.016 -2.819 7.263 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.739 -1.320 8.129 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.040 -1.367 9.028 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.415 -2.792 8.079 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.576 -4.047 9.247 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.216 -2.623 10.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.600 -3.662 11.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.786 -2.836 10.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -3.459 -4.470 10.394 1.00 0.00 H new ATOM 943 N ILE A 60 -2.574 1.430 4.622 1.00 0.00 N ATOM 944 CA ILE A 60 -2.216 2.531 3.764 1.00 0.00 C ATOM 945 C ILE A 60 -2.811 3.825 4.327 1.00 0.00 C ATOM 946 O ILE A 60 -2.059 4.668 4.817 1.00 0.00 O ATOM 947 CB ILE A 60 -2.644 2.181 2.329 1.00 0.00 C ATOM 948 CG1 ILE A 60 -1.699 1.083 1.808 1.00 0.00 C ATOM 949 CG2 ILE A 60 -2.575 3.410 1.431 1.00 0.00 C ATOM 950 CD1 ILE A 60 -2.017 0.610 0.387 1.00 0.00 C ATOM 0 H ILE A 60 -3.115 0.705 4.151 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.140 2.703 3.729 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.675 1.828 2.323 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -0.675 1.456 1.835 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.745 0.228 2.483 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.882 3.140 0.421 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -3.240 4.181 1.818 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.553 3.789 1.411 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.307 -0.163 0.093 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.028 0.205 0.356 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.942 1.451 -0.302 1.00 0.00 H new ATOM 962 N LYS A 61 -4.137 4.007 4.272 1.00 0.00 N ATOM 963 CA LYS A 61 -4.731 5.276 4.671 1.00 0.00 C ATOM 964 C LYS A 61 -4.325 5.729 6.086 1.00 0.00 C ATOM 965 O LYS A 61 -4.160 6.921 6.339 1.00 0.00 O ATOM 966 CB LYS A 61 -6.246 5.237 4.429 1.00 0.00 C ATOM 967 CG LYS A 61 -7.108 4.987 5.666 1.00 0.00 C ATOM 968 CD LYS A 61 -8.526 4.724 5.158 1.00 0.00 C ATOM 969 CE LYS A 61 -9.540 4.741 6.308 1.00 0.00 C ATOM 970 NZ LYS A 61 -10.907 4.461 5.827 1.00 0.00 N ATOM 0 H LYS A 61 -4.804 3.301 3.960 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.320 6.061 4.036 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.549 6.184 3.983 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.459 4.458 3.697 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.735 4.135 6.234 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.088 5.848 6.334 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.797 5.479 4.420 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.561 3.759 4.653 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -9.257 4.000 7.055 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -9.518 5.714 6.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -11.568 4.480 6.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -11.185 5.183 5.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -10.932 3.522 5.380 1.00 0.00 H new ATOM 984 N LYS A 62 -4.123 4.769 7.000 1.00 0.00 N ATOM 985 CA LYS A 62 -3.663 4.987 8.370 1.00 0.00 C ATOM 986 C LYS A 62 -2.517 5.994 8.426 1.00 0.00 C ATOM 987 O LYS A 62 -2.424 6.779 9.366 1.00 0.00 O ATOM 988 CB LYS A 62 -3.176 3.665 9.000 1.00 0.00 C ATOM 989 CG LYS A 62 -3.517 3.543 10.491 1.00 0.00 C ATOM 990 CD LYS A 62 -4.931 2.961 10.633 1.00 0.00 C ATOM 991 CE LYS A 62 -5.354 2.743 12.092 1.00 0.00 C ATOM 992 NZ LYS A 62 -6.674 2.078 12.160 1.00 0.00 N ATOM 0 H LYS A 62 -4.283 3.783 6.793 1.00 0.00 H new ATOM 0 HA LYS A 62 -4.514 5.379 8.928 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -3.622 2.828 8.462 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.096 3.586 8.873 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.793 2.900 10.992 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.462 4.520 10.971 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -5.643 3.632 10.152 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.980 2.010 10.102 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -4.608 2.136 12.605 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -5.397 3.701 12.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -6.773 1.596 13.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -7.426 2.789 12.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -6.752 1.381 11.392 1.00 0.00 H new ATOM 1006 N THR A 63 -1.619 5.928 7.441 1.00 0.00 N ATOM 1007 CA THR A 63 -0.408 6.724 7.446 1.00 0.00 C ATOM 1008 C THR A 63 -0.684 8.223 7.297 1.00 0.00 C ATOM 1009 O THR A 63 0.167 9.027 7.672 1.00 0.00 O ATOM 1010 CB THR A 63 0.560 6.209 6.379 1.00 0.00 C ATOM 1011 OG1 THR A 63 0.057 6.394 5.073 1.00 0.00 O ATOM 1012 CG2 THR A 63 0.899 4.741 6.616 1.00 0.00 C ATOM 0 H THR A 63 -1.717 5.323 6.626 1.00 0.00 H new ATOM 0 HA THR A 63 0.061 6.610 8.423 1.00 0.00 H new ATOM 0 HB THR A 63 1.473 6.798 6.465 1.00 0.00 H new ATOM 0 HG1 THR A 63 -0.787 5.905 4.975 1.00 0.00 H new ATOM 0 HG21 THR A 63 1.589 4.398 5.845 1.00 0.00 H new ATOM 0 HG22 THR A 63 1.365 4.629 7.595 1.00 0.00 H new ATOM 0 HG23 THR A 63 -0.014 4.146 6.578 1.00 0.00 H new ATOM 1020 N GLY A 64 -1.849 8.612 6.763 1.00 0.00 N ATOM 1021 CA GLY A 64 -2.236 10.013 6.678 1.00 0.00 C ATOM 1022 C GLY A 64 -3.035 10.303 5.412 1.00 0.00 C ATOM 1023 O GLY A 64 -4.097 10.915 5.481 1.00 0.00 O ATOM 0 H GLY A 64 -2.540 7.965 6.383 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.830 10.280 7.552 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.344 10.639 6.696 1.00 0.00 H new ATOM 1027 N LYS A 65 -2.507 9.924 4.243 1.00 0.00 N ATOM 1028 CA LYS A 65 -3.246 10.100 2.995 1.00 0.00 C ATOM 1029 C LYS A 65 -4.527 9.277 2.970 1.00 0.00 C ATOM 1030 O LYS A 65 -4.674 8.321 3.723 1.00 0.00 O ATOM 1031 CB LYS A 65 -2.393 9.682 1.796 1.00 0.00 C ATOM 1032 CG LYS A 65 -1.098 10.475 1.708 1.00 0.00 C ATOM 1033 CD LYS A 65 -1.317 11.991 1.594 1.00 0.00 C ATOM 1034 CE LYS A 65 -0.992 12.715 2.913 1.00 0.00 C ATOM 1035 NZ LYS A 65 -0.712 14.149 2.708 1.00 0.00 N ATOM 0 H LYS A 65 -1.585 9.500 4.138 1.00 0.00 H new ATOM 0 HA LYS A 65 -3.498 11.159 2.934 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.162 8.619 1.869 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -2.965 9.821 0.879 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -0.493 10.268 2.591 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.529 10.132 0.844 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.691 12.390 0.796 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -2.352 12.189 1.316 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.830 12.605 3.602 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -0.129 12.242 3.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -0.649 14.626 3.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.189 14.258 2.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.478 14.576 2.149 1.00 0.00 H new ATOM 1049 N GLU A 66 -5.423 9.614 2.043 1.00 0.00 N ATOM 1050 CA GLU A 66 -6.569 8.797 1.739 1.00 0.00 C ATOM 1051 C GLU A 66 -6.212 7.721 0.734 1.00 0.00 C ATOM 1052 O GLU A 66 -5.349 7.916 -0.129 1.00 0.00 O ATOM 1053 CB GLU A 66 -7.660 9.678 1.148 1.00 0.00 C ATOM 1054 CG GLU A 66 -8.485 10.283 2.284 1.00 0.00 C ATOM 1055 CD GLU A 66 -9.467 9.276 2.894 1.00 0.00 C ATOM 1056 OE1 GLU A 66 -9.282 8.058 2.655 1.00 0.00 O ATOM 1057 OE2 GLU A 66 -10.386 9.742 3.601 1.00 0.00 O ATOM 0 H GLU A 66 -5.363 10.467 1.487 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.913 8.321 2.657 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.218 10.469 0.542 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -8.301 9.092 0.489 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.814 10.649 3.061 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.038 11.144 1.909 1.00 0.00 H new ATOM 1064 N VAL A 67 -6.955 6.621 0.822 1.00 0.00 N ATOM 1065 CA VAL A 67 -6.916 5.549 -0.150 1.00 0.00 C ATOM 1066 C VAL A 67 -8.120 5.767 -1.078 1.00 0.00 C ATOM 1067 O VAL A 67 -9.252 5.834 -0.606 1.00 0.00 O ATOM 1068 CB VAL A 67 -6.877 4.184 0.560 1.00 0.00 C ATOM 1069 CG1 VAL A 67 -8.239 3.678 1.052 1.00 0.00 C ATOM 1070 CG2 VAL A 67 -6.229 3.132 -0.344 1.00 0.00 C ATOM 0 H VAL A 67 -7.610 6.453 1.586 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.012 5.554 -0.758 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.277 4.343 1.456 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -8.114 2.711 1.539 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -8.657 4.391 1.763 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -8.916 3.572 0.204 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.209 2.172 0.172 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.806 3.038 -1.264 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -5.210 3.437 -0.584 1.00 0.00 H new ATOM 1080 N ARG A 68 -7.901 5.950 -2.381 1.00 0.00 N ATOM 1081 CA ARG A 68 -8.976 6.275 -3.312 1.00 0.00 C ATOM 1082 C ARG A 68 -9.814 5.024 -3.574 1.00 0.00 C ATOM 1083 O ARG A 68 -11.028 5.006 -3.377 1.00 0.00 O ATOM 1084 CB ARG A 68 -8.441 6.819 -4.643 1.00 0.00 C ATOM 1085 CG ARG A 68 -7.543 8.041 -4.450 1.00 0.00 C ATOM 1086 CD ARG A 68 -6.837 8.408 -5.765 1.00 0.00 C ATOM 1087 NE ARG A 68 -7.754 9.087 -6.691 1.00 0.00 N ATOM 1088 CZ ARG A 68 -7.560 9.260 -8.010 1.00 0.00 C ATOM 1089 NH1 ARG A 68 -6.589 8.604 -8.663 1.00 0.00 N ATOM 1090 NH2 ARG A 68 -8.355 10.111 -8.673 1.00 0.00 N ATOM 0 H ARG A 68 -6.981 5.877 -2.815 1.00 0.00 H new ATOM 0 HA ARG A 68 -9.586 7.055 -2.857 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.881 6.036 -5.154 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -9.279 7.084 -5.288 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -8.139 8.885 -4.103 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -6.801 7.836 -3.678 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.985 9.054 -5.555 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -6.445 7.506 -6.234 1.00 0.00 H new ATOM 0 HE ARG A 68 -8.617 9.461 -6.297 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.981 7.959 -8.158 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.459 8.750 -9.664 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -9.091 10.613 -8.177 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -8.224 10.256 -9.674 1.00 0.00 H new ATOM 1104 N SER A 69 -9.160 3.991 -4.111 1.00 0.00 N ATOM 1105 CA SER A 69 -9.761 2.717 -4.473 1.00 0.00 C ATOM 1106 C SER A 69 -8.647 1.671 -4.534 1.00 0.00 C ATOM 1107 O SER A 69 -7.474 2.010 -4.363 1.00 0.00 O ATOM 1108 CB SER A 69 -10.472 2.831 -5.831 1.00 0.00 C ATOM 1109 OG SER A 69 -11.344 3.942 -5.878 1.00 0.00 O ATOM 0 H SER A 69 -8.160 4.026 -4.311 1.00 0.00 H new ATOM 0 HA SER A 69 -10.506 2.425 -3.733 1.00 0.00 H new ATOM 0 HB2 SER A 69 -9.729 2.919 -6.624 1.00 0.00 H new ATOM 0 HB3 SER A 69 -11.036 1.918 -6.023 1.00 0.00 H new ATOM 0 HG SER A 69 -11.776 3.982 -6.757 1.00 0.00 H new ATOM 1115 N GLY A 70 -8.997 0.424 -4.849 1.00 0.00 N ATOM 1116 CA GLY A 70 -8.041 -0.627 -5.139 1.00 0.00 C ATOM 1117 C GLY A 70 -8.781 -1.843 -5.686 1.00 0.00 C ATOM 1118 O GLY A 70 -10.005 -1.806 -5.825 1.00 0.00 O ATOM 0 H GLY A 70 -9.968 0.118 -4.909 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -7.307 -0.277 -5.865 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -7.493 -0.896 -4.236 1.00 0.00 H new ATOM 1122 N LYS A 71 -8.057 -2.924 -5.963 1.00 0.00 N ATOM 1123 CA LYS A 71 -8.581 -4.193 -6.436 1.00 0.00 C ATOM 1124 C LYS A 71 -7.581 -5.299 -6.102 1.00 0.00 C ATOM 1125 O LYS A 71 -6.475 -5.009 -5.638 1.00 0.00 O ATOM 1126 CB LYS A 71 -8.866 -4.101 -7.942 1.00 0.00 C ATOM 1127 CG LYS A 71 -7.645 -3.651 -8.769 1.00 0.00 C ATOM 1128 CD LYS A 71 -7.947 -2.400 -9.607 1.00 0.00 C ATOM 1129 CE LYS A 71 -8.858 -2.733 -10.800 1.00 0.00 C ATOM 1130 NZ LYS A 71 -9.232 -1.527 -11.569 1.00 0.00 N ATOM 0 H LYS A 71 -7.043 -2.935 -5.857 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.522 -4.431 -5.941 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.200 -5.074 -8.301 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.685 -3.402 -8.107 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.809 -3.446 -8.100 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -7.334 -4.462 -9.428 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -8.425 -1.647 -8.981 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -7.014 -1.968 -9.969 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.350 -3.438 -11.458 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.760 -3.227 -10.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.846 -1.798 -12.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -9.740 -0.864 -10.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -8.373 -1.069 -11.936 1.00 0.00 H new ATOM 1144 N GLN A 72 -7.976 -6.549 -6.354 1.00 0.00 N ATOM 1145 CA GLN A 72 -7.148 -7.732 -6.165 1.00 0.00 C ATOM 1146 C GLN A 72 -6.979 -8.468 -7.488 1.00 0.00 C ATOM 1147 O GLN A 72 -7.848 -8.390 -8.357 1.00 0.00 O ATOM 1148 CB GLN A 72 -7.715 -8.636 -5.065 1.00 0.00 C ATOM 1149 CG GLN A 72 -9.140 -9.125 -5.334 1.00 0.00 C ATOM 1150 CD GLN A 72 -9.707 -9.905 -4.160 1.00 0.00 C ATOM 1151 OE1 GLN A 72 -8.981 -10.397 -3.300 1.00 0.00 O ATOM 1152 NE2 GLN A 72 -11.025 -10.045 -4.127 1.00 0.00 N ATOM 0 H GLN A 72 -8.908 -6.767 -6.705 1.00 0.00 H new ATOM 0 HA GLN A 72 -6.159 -7.420 -5.830 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -7.062 -9.500 -4.947 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -7.700 -8.094 -4.120 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -9.782 -8.270 -5.545 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -9.145 -9.755 -6.224 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -11.601 -9.624 -4.856 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -11.463 -10.573 -3.372 1.00 0.00 H new ATOM 1161 N LEU A 73 -5.839 -9.139 -7.614 1.00 0.00 N ATOM 1162 CA LEU A 73 -5.324 -9.822 -8.785 1.00 0.00 C ATOM 1163 C LEU A 73 -4.703 -11.142 -8.302 1.00 0.00 C ATOM 1164 O LEU A 73 -4.144 -11.157 -7.174 1.00 0.00 O ATOM 1165 CB LEU A 73 -4.274 -8.950 -9.489 1.00 0.00 C ATOM 1166 CG LEU A 73 -4.733 -7.529 -9.838 1.00 0.00 C ATOM 1167 CD1 LEU A 73 -3.522 -6.734 -10.305 1.00 0.00 C ATOM 1168 CD2 LEU A 73 -5.774 -7.468 -10.952 1.00 0.00 C ATOM 1169 OXT LEU A 73 -4.806 -12.127 -9.063 1.00 0.00 O ATOM 0 H LEU A 73 -5.198 -9.223 -6.825 1.00 0.00 H new ATOM 0 HA LEU A 73 -6.119 -10.017 -9.505 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.393 -8.884 -8.851 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.965 -9.451 -10.407 1.00 0.00 H new ATOM 0 HG LEU A 73 -5.193 -7.123 -8.937 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.829 -5.719 -10.558 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.779 -6.700 -9.508 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -3.090 -7.212 -11.184 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -6.046 -6.429 -11.139 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.360 -7.904 -11.861 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -6.660 -8.027 -10.653 1.00 0.00 H new TER 1181 LEU A 73 HETATM 1182 CU CU1 A 74 1.320 12.645 0.576 1.00 0.00 CU CONECT 238 1182 CONECT 243 1182 CONECT 271 1182 CONECT 1182 238 243 271 END