USER MOD reduce.3.24.130724 H: found=0, std=0, add=511, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 511 hydrogens (0 hets) HEADER METAL TRANSPORT 04-JAN-05 1YG0 TITLE SOLUTION STRUCTURE OF APO-COPP FROM HELICOBACTER PYLORI COMPND MOL_ID: 1; COMPND 2 MOLECULE: COP ASSOCIATED PROTEIN; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: HPCOPP, COPPER ION BINDING PROTEIN; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HELICOBACTER PYLORI; SOURCE 3 ORGANISM_TAXID: 85962; SOURCE 4 STRAIN: 26695; SOURCE 5 GENE: COPP; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: DH5A; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 0 EXPRESSION_SYSTEM_PLASMID: PGEX-4T-1 KEYWDS OPEN-FACED BETA-SANDWICH, MISSING C-TERMINAL BETA-SHEET, METAL KEYWDS 2 TRANSPORT EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR B.J.LEE,S.J.PARK REVDAT 3 13-JUL-11 1YG0 1 VERSN REVDAT 2 24-FEB-09 1YG0 1 VERSN REVDAT 1 24-JAN-06 1YG0 0 JRNL AUTH B.J.LEE,S.J.PARK JRNL TITL SOLUTION STRUCTURE OF APO-COPP FROM HELICOBACTER PYLORI JRNL REF TO BE PUBLISHED JRNL REFN REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 1.1, X-PLOR 3.8 REMARK 3 AUTHORS : BRUCKER (CNS), BRUCKER (X-PLOR) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: REMARK 3 THE STRUCTURES ARE BASED ON A TOTAL OF 1250 RESTRAINTS, 1115 ARE REMARK 3 NOE-DERIVED REMARK 3 DISTANCE CONSTRAINTS, 95 DIHEDRAL ANGLE RESTRAINTS, 40 DISTANCE REMARK 3 RESTRAINTS REMARK 3 FROM HYDROGEN BONDS. REMARK 4 REMARK 4 1YG0 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 11-JAN-05. REMARK 100 THE RCSB ID CODE IS RCSB031470. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 303 REMARK 210 PH : 7 REMARK 210 IONIC STRENGTH : 500MM NACL, 10MM DTT REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 2MM HPCOPP U-15N, 13C; 50MM REMARK 210 PHOSPHATE BUFFER, 10MM DTT, 500MM REMARK 210 NACL NA; 90% H2O, 10% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY; 3D_13C-SEPARATED_ REMARK 210 NOESY; 3D_15N-SEPARATED_NOESY; REMARK 210 HNHA REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : AVANCE REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : CNS 1.1, NMRPIPE 5.4, XWINNMR 3.5 REMARK 210 METHOD USED : SIMULATED ANNEALING, TORSION REMARK 210 ANGLE DYNAMICS 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: THIS STRUCTURE WAS DETERMINED USING STANDARD 2D AND 3D REMARK 210 TECHNIQUES. REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 H SER A 30 O GLU A 44 1.56 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 PHE A 5 -169.79 -128.45 REMARK 500 SER A 9 38.22 -95.99 REMARK 500 ILE A 10 -156.33 -85.37 REMARK 500 THR A 11 53.32 81.05 REMARK 500 PHE A 31 123.23 -170.09 REMARK 500 ASP A 46 -169.97 -78.37 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1CPZ RELATED DB: PDB REMARK 900 HOMOLOGOUS COOPER CHAPERONE REMARK 900 RELATED ID: 1K0V RELATED DB: PDB REMARK 900 HOMOLOGOUS COOPER CHAPERONE DBREF 1YG0 A 1 66 UNP Q48271 COPP_HELPY 1 66 SEQRES 1 A 66 MET LYS ALA THR PHE GLN VAL PRO SER ILE THR CYS ASN SEQRES 2 A 66 HIS CYS VAL ASP LYS ILE GLU LYS PHE VAL GLY GLU ILE SEQRES 3 A 66 GLU GLY VAL SER PHE ILE ASP VAL SER VAL GLU LYS LYS SEQRES 4 A 66 SER VAL VAL VAL GLU PHE ASP ALA PRO ALA THR GLN ASP SEQRES 5 A 66 LEU ILE LYS GLU ALA LEU LEU ASP ALA GLY GLN GLU VAL SEQRES 6 A 66 VAL HELIX 1 1 ASN A 13 GLY A 24 1 12 HELIX 2 2 THR A 50 GLY A 62 1 13 SHEET 1 A 3 LYS A 2 PHE A 5 0 SHEET 2 A 3 SER A 40 PHE A 45 -1 O VAL A 41 N PHE A 5 SHEET 3 A 3 VAL A 29 SER A 35 -1 N SER A 30 O GLU A 44 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 Single : A 1 MET CE :methyl -150:sc= -0.404 (180deg=-1.79!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.352 USER MOD Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 HIS : no HD1:sc= -0.08 X(o=-0.08,f=0) USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 170:sc= -1.24 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.0767 USER MOD Single : A 51 GLN : amide:sc= -0.192 X(o=-0.19,f=-0.68) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN :FLIP amide:sc= -11.2! C(o=-13!,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.733 6.238 3.852 1.00 0.98 N ATOM 2 CA MET A 1 12.839 6.033 2.683 1.00 0.54 C ATOM 3 C MET A 1 11.757 5.001 2.991 1.00 0.45 C ATOM 4 O MET A 1 11.770 3.893 2.455 1.00 0.56 O ATOM 5 CB MET A 1 13.688 5.572 1.496 1.00 1.17 C ATOM 6 CG MET A 1 14.165 6.712 0.611 1.00 2.14 C ATOM 7 SD MET A 1 15.800 6.411 -0.088 1.00 2.91 S ATOM 8 CE MET A 1 16.758 6.137 1.400 1.00 3.62 C ATOM 0 H1 MET A 1 14.459 6.944 3.614 1.00 0.98 H new ATOM 0 H2 MET A 1 13.174 6.575 4.662 1.00 0.98 H new ATOM 0 H3 MET A 1 14.193 5.339 4.099 1.00 0.98 H new ATOM 0 HA MET A 1 12.338 6.972 2.445 1.00 0.54 H new ATOM 0 HB2 MET A 1 14.554 5.026 1.870 1.00 1.17 H new ATOM 0 HB3 MET A 1 13.107 4.874 0.894 1.00 1.17 H new ATOM 0 HG2 MET A 1 13.450 6.862 -0.198 1.00 2.14 H new ATOM 0 HG3 MET A 1 14.187 7.634 1.192 1.00 2.14 H new ATOM 0 HE1 MET A 1 17.786 6.459 1.235 1.00 3.62 H new ATOM 0 HE2 MET A 1 16.326 6.709 2.221 1.00 3.62 H new ATOM 0 HE3 MET A 1 16.746 5.076 1.651 1.00 3.62 H new ATOM 20 N LYS A 2 10.822 5.374 3.858 1.00 0.34 N ATOM 21 CA LYS A 2 9.733 4.482 4.238 1.00 0.35 C ATOM 22 C LYS A 2 8.419 5.247 4.353 1.00 0.29 C ATOM 23 O LYS A 2 8.411 6.458 4.574 1.00 0.35 O ATOM 24 CB LYS A 2 10.051 3.789 5.564 1.00 0.45 C ATOM 25 CG LYS A 2 10.508 4.744 6.655 1.00 1.00 C ATOM 26 CD LYS A 2 10.496 4.076 8.020 1.00 1.42 C ATOM 27 CE LYS A 2 11.681 4.515 8.866 1.00 2.14 C ATOM 28 NZ LYS A 2 11.456 4.254 10.314 1.00 2.76 N ATOM 0 H LYS A 2 10.796 6.288 4.311 1.00 0.34 H new ATOM 0 HA LYS A 2 9.627 3.727 3.459 1.00 0.35 H new ATOM 0 HB2 LYS A 2 9.165 3.256 5.907 1.00 0.45 H new ATOM 0 HB3 LYS A 2 10.828 3.043 5.397 1.00 0.45 H new ATOM 0 HG2 LYS A 2 11.514 5.099 6.431 1.00 1.00 H new ATOM 0 HG3 LYS A 2 9.857 5.618 6.671 1.00 1.00 H new ATOM 0 HD2 LYS A 2 9.568 4.320 8.537 1.00 1.42 H new ATOM 0 HD3 LYS A 2 10.517 2.993 7.897 1.00 1.42 H new ATOM 0 HE2 LYS A 2 12.577 3.988 8.537 1.00 2.14 H new ATOM 0 HE3 LYS A 2 11.862 5.579 8.713 1.00 2.14 H new ATOM 0 HZ1 LYS A 2 12.286 4.567 10.856 1.00 2.76 H new ATOM 0 HZ2 LYS A 2 10.616 4.777 10.635 1.00 2.76 H new ATOM 0 HZ3 LYS A 2 11.308 3.236 10.464 1.00 2.76 H new ATOM 42 N ALA A 3 7.308 4.532 4.202 1.00 0.23 N ATOM 43 CA ALA A 3 5.988 5.143 4.289 1.00 0.20 C ATOM 44 C ALA A 3 5.083 4.356 5.230 1.00 0.21 C ATOM 45 O ALA A 3 5.238 3.145 5.387 1.00 0.37 O ATOM 46 CB ALA A 3 5.362 5.243 2.906 1.00 0.27 C ATOM 0 H ALA A 3 7.297 3.529 4.019 1.00 0.23 H new ATOM 0 HA ALA A 3 6.103 6.148 4.695 1.00 0.20 H new ATOM 0 HB1 ALA A 3 4.376 5.701 2.985 1.00 0.27 H new ATOM 0 HB2 ALA A 3 5.996 5.854 2.263 1.00 0.27 H new ATOM 0 HB3 ALA A 3 5.265 4.245 2.477 1.00 0.27 H new ATOM 52 N THR A 4 4.137 5.051 5.852 1.00 0.18 N ATOM 53 CA THR A 4 3.207 4.415 6.777 1.00 0.22 C ATOM 54 C THR A 4 1.802 4.984 6.615 1.00 0.24 C ATOM 55 O THR A 4 1.541 6.131 6.976 1.00 0.34 O ATOM 56 CB THR A 4 3.682 4.601 8.219 1.00 0.33 C ATOM 57 OG1 THR A 4 2.701 4.143 9.133 1.00 0.44 O ATOM 58 CG2 THR A 4 3.995 6.040 8.565 1.00 0.38 C ATOM 0 H THR A 4 3.994 6.054 5.732 1.00 0.18 H new ATOM 0 HA THR A 4 3.176 3.350 6.546 1.00 0.22 H new ATOM 0 HB THR A 4 4.599 4.017 8.298 1.00 0.33 H new ATOM 0 HG1 THR A 4 3.024 4.269 10.050 1.00 0.44 H new ATOM 0 HG21 THR A 4 4.326 6.101 9.602 1.00 0.38 H new ATOM 0 HG22 THR A 4 4.784 6.408 7.910 1.00 0.38 H new ATOM 0 HG23 THR A 4 3.100 6.649 8.433 1.00 0.38 H new ATOM 66 N PHE A 5 0.898 4.169 6.079 1.00 0.21 N ATOM 67 CA PHE A 5 -0.484 4.583 5.877 1.00 0.29 C ATOM 68 C PHE A 5 -1.428 3.554 6.480 1.00 0.30 C ATOM 69 O PHE A 5 -0.996 2.643 7.187 1.00 0.56 O ATOM 70 CB PHE A 5 -0.800 4.753 4.385 1.00 0.36 C ATOM 71 CG PHE A 5 0.349 5.265 3.562 1.00 0.35 C ATOM 72 CD1 PHE A 5 1.136 6.310 4.017 1.00 1.04 C ATOM 73 CD2 PHE A 5 0.637 4.701 2.328 1.00 1.33 C ATOM 74 CE1 PHE A 5 2.191 6.782 3.258 1.00 1.08 C ATOM 75 CE2 PHE A 5 1.689 5.170 1.565 1.00 1.40 C ATOM 76 CZ PHE A 5 2.467 6.211 2.031 1.00 0.63 C ATOM 0 H PHE A 5 1.100 3.216 5.777 1.00 0.21 H new ATOM 0 HA PHE A 5 -0.622 5.544 6.372 1.00 0.29 H new ATOM 0 HB2 PHE A 5 -1.120 3.792 3.982 1.00 0.36 H new ATOM 0 HB3 PHE A 5 -1.641 5.439 4.280 1.00 0.36 H new ATOM 0 HD1 PHE A 5 0.923 6.761 4.975 1.00 1.04 H new ATOM 0 HD2 PHE A 5 0.032 3.886 1.959 1.00 1.33 H new ATOM 0 HE1 PHE A 5 2.799 7.596 3.624 1.00 1.08 H new ATOM 0 HE2 PHE A 5 1.902 4.723 0.605 1.00 1.40 H new ATOM 0 HZ PHE A 5 3.291 6.578 1.437 1.00 0.63 H new ATOM 86 N GLN A 6 -2.714 3.692 6.190 1.00 0.25 N ATOM 87 CA GLN A 6 -3.703 2.758 6.702 1.00 0.30 C ATOM 88 C GLN A 6 -4.915 2.687 5.784 1.00 0.26 C ATOM 89 O GLN A 6 -5.510 3.708 5.438 1.00 0.30 O ATOM 90 CB GLN A 6 -4.139 3.165 8.111 1.00 0.43 C ATOM 91 CG GLN A 6 -4.493 4.638 8.236 1.00 1.15 C ATOM 92 CD GLN A 6 -5.292 4.940 9.489 1.00 1.56 C ATOM 93 OE1 GLN A 6 -6.338 4.338 9.732 1.00 1.88 O ATOM 94 NE2 GLN A 6 -4.802 5.878 10.292 1.00 2.40 N ATOM 0 H GLN A 6 -3.094 4.437 5.606 1.00 0.25 H new ATOM 0 HA GLN A 6 -3.244 1.770 6.742 1.00 0.30 H new ATOM 0 HB2 GLN A 6 -5.002 2.566 8.403 1.00 0.43 H new ATOM 0 HB3 GLN A 6 -3.338 2.932 8.812 1.00 0.43 H new ATOM 0 HG2 GLN A 6 -3.577 5.229 8.242 1.00 1.15 H new ATOM 0 HG3 GLN A 6 -5.065 4.946 7.361 1.00 1.15 H new ATOM 0 HE21 GLN A 6 -3.931 6.352 10.051 1.00 2.40 H new ATOM 0 HE22 GLN A 6 -5.296 6.125 11.149 1.00 2.40 H new ATOM 103 N VAL A 7 -5.280 1.470 5.405 1.00 0.30 N ATOM 104 CA VAL A 7 -6.428 1.247 4.540 1.00 0.35 C ATOM 105 C VAL A 7 -7.658 0.899 5.371 1.00 0.36 C ATOM 106 O VAL A 7 -7.833 -0.249 5.777 1.00 0.40 O ATOM 107 CB VAL A 7 -6.163 0.109 3.537 1.00 0.48 C ATOM 108 CG1 VAL A 7 -7.337 -0.045 2.583 1.00 1.37 C ATOM 109 CG2 VAL A 7 -4.873 0.362 2.772 1.00 1.42 C ATOM 0 H VAL A 7 -4.794 0.618 5.685 1.00 0.30 H new ATOM 0 HA VAL A 7 -6.603 2.170 3.986 1.00 0.35 H new ATOM 0 HB VAL A 7 -6.052 -0.823 4.092 1.00 0.48 H new ATOM 0 HG11 VAL A 7 -7.132 -0.854 1.881 1.00 1.37 H new ATOM 0 HG12 VAL A 7 -8.239 -0.276 3.150 1.00 1.37 H new ATOM 0 HG13 VAL A 7 -7.483 0.884 2.033 1.00 1.37 H new ATOM 0 HG21 VAL A 7 -4.702 -0.452 2.068 1.00 1.42 H new ATOM 0 HG22 VAL A 7 -4.952 1.303 2.227 1.00 1.42 H new ATOM 0 HG23 VAL A 7 -4.040 0.417 3.472 1.00 1.42 H new ATOM 119 N PRO A 8 -8.527 1.885 5.647 1.00 0.39 N ATOM 120 CA PRO A 8 -9.733 1.659 6.445 1.00 0.44 C ATOM 121 C PRO A 8 -10.658 0.616 5.822 1.00 0.47 C ATOM 122 O PRO A 8 -11.524 0.061 6.498 1.00 0.52 O ATOM 123 CB PRO A 8 -10.415 3.032 6.486 1.00 0.55 C ATOM 124 CG PRO A 8 -9.806 3.808 5.368 1.00 0.57 C ATOM 125 CD PRO A 8 -8.406 3.288 5.218 1.00 0.47 C ATOM 0 HA PRO A 8 -9.491 1.268 7.433 1.00 0.44 H new ATOM 0 HB2 PRO A 8 -11.494 2.939 6.359 1.00 0.55 H new ATOM 0 HB3 PRO A 8 -10.248 3.525 7.444 1.00 0.55 H new ATOM 0 HG2 PRO A 8 -10.373 3.675 4.446 1.00 0.57 H new ATOM 0 HG3 PRO A 8 -9.804 4.875 5.589 1.00 0.57 H new ATOM 0 HD2 PRO A 8 -8.054 3.367 4.189 1.00 0.47 H new ATOM 0 HD3 PRO A 8 -7.701 3.841 5.839 1.00 0.47 H new ATOM 133 N SER A 9 -10.467 0.350 4.533 1.00 0.47 N ATOM 134 CA SER A 9 -11.283 -0.631 3.827 1.00 0.53 C ATOM 135 C SER A 9 -10.585 -1.988 3.787 1.00 0.46 C ATOM 136 O SER A 9 -10.646 -2.701 2.786 1.00 0.78 O ATOM 137 CB SER A 9 -11.577 -0.153 2.404 1.00 0.71 C ATOM 138 OG SER A 9 -12.896 -0.494 2.013 1.00 1.48 O ATOM 0 H SER A 9 -9.755 0.800 3.957 1.00 0.47 H new ATOM 0 HA SER A 9 -12.224 -0.741 4.366 1.00 0.53 H new ATOM 0 HB2 SER A 9 -11.445 0.927 2.346 1.00 0.71 H new ATOM 0 HB3 SER A 9 -10.863 -0.599 1.712 1.00 0.71 H new ATOM 0 HG SER A 9 -13.059 -0.176 1.100 1.00 1.48 H new ATOM 144 N ILE A 10 -9.920 -2.334 4.885 1.00 0.53 N ATOM 145 CA ILE A 10 -9.206 -3.601 4.983 1.00 0.57 C ATOM 146 C ILE A 10 -10.151 -4.725 5.429 1.00 0.67 C ATOM 147 O ILE A 10 -11.363 -4.629 5.233 1.00 1.33 O ATOM 148 CB ILE A 10 -7.999 -3.471 5.949 1.00 0.68 C ATOM 149 CG1 ILE A 10 -6.888 -4.451 5.558 1.00 0.79 C ATOM 150 CG2 ILE A 10 -8.422 -3.676 7.400 1.00 0.81 C ATOM 151 CD1 ILE A 10 -5.591 -3.772 5.174 1.00 1.02 C ATOM 0 H ILE A 10 -9.861 -1.753 5.721 1.00 0.53 H new ATOM 0 HA ILE A 10 -8.824 -3.859 3.995 1.00 0.57 H new ATOM 0 HB ILE A 10 -7.609 -2.457 5.862 1.00 0.68 H new ATOM 0 HG12 ILE A 10 -6.701 -5.128 6.392 1.00 0.79 H new ATOM 0 HG13 ILE A 10 -7.230 -5.061 4.722 1.00 0.79 H new ATOM 0 HG21 ILE A 10 -7.552 -3.578 8.050 1.00 0.81 H new ATOM 0 HG22 ILE A 10 -9.164 -2.926 7.672 1.00 0.81 H new ATOM 0 HG23 ILE A 10 -8.852 -4.671 7.517 1.00 0.81 H new ATOM 0 HD11 ILE A 10 -4.850 -4.526 4.909 1.00 1.02 H new ATOM 0 HD12 ILE A 10 -5.762 -3.116 4.320 1.00 1.02 H new ATOM 0 HD13 ILE A 10 -5.225 -3.184 6.016 1.00 1.02 H new ATOM 163 N THR A 11 -9.598 -5.788 6.021 1.00 0.56 N ATOM 164 CA THR A 11 -10.396 -6.923 6.485 1.00 0.59 C ATOM 165 C THR A 11 -10.724 -7.863 5.330 1.00 0.65 C ATOM 166 O THR A 11 -11.886 -8.196 5.094 1.00 1.35 O ATOM 167 CB THR A 11 -11.687 -6.447 7.161 1.00 1.12 C ATOM 168 OG1 THR A 11 -11.459 -5.260 7.899 1.00 2.04 O ATOM 169 CG2 THR A 11 -12.280 -7.469 8.106 1.00 1.85 C ATOM 0 H THR A 11 -8.597 -5.885 6.190 1.00 0.56 H new ATOM 0 HA THR A 11 -9.803 -7.468 7.220 1.00 0.59 H new ATOM 0 HB THR A 11 -12.392 -6.276 6.348 1.00 1.12 H new ATOM 0 HG1 THR A 11 -12.295 -4.972 8.321 1.00 2.04 H new ATOM 0 HG21 THR A 11 -13.191 -7.068 8.550 1.00 1.85 H new ATOM 0 HG22 THR A 11 -12.515 -8.380 7.556 1.00 1.85 H new ATOM 0 HG23 THR A 11 -11.562 -7.696 8.894 1.00 1.85 H new ATOM 177 N CYS A 12 -9.689 -8.291 4.614 1.00 0.74 N ATOM 178 CA CYS A 12 -9.861 -9.197 3.485 1.00 1.02 C ATOM 179 C CYS A 12 -8.513 -9.560 2.869 1.00 0.49 C ATOM 180 O CYS A 12 -7.502 -8.910 3.136 1.00 1.09 O ATOM 181 CB CYS A 12 -10.764 -8.562 2.426 1.00 1.94 C ATOM 182 SG CYS A 12 -11.865 -9.734 1.597 1.00 3.16 S ATOM 0 H CYS A 12 -8.722 -8.024 4.796 1.00 0.74 H new ATOM 0 HA CYS A 12 -10.331 -10.109 3.852 1.00 1.02 H new ATOM 0 HB2 CYS A 12 -11.366 -7.784 2.896 1.00 1.94 H new ATOM 0 HB3 CYS A 12 -10.140 -8.074 1.677 1.00 1.94 H new ATOM 0 HG CYS A 12 -12.590 -9.103 0.721 1.00 3.16 H new ATOM 188 N ASN A 13 -8.507 -10.604 2.046 1.00 0.66 N ATOM 189 CA ASN A 13 -7.283 -11.055 1.393 1.00 0.93 C ATOM 190 C ASN A 13 -7.266 -10.647 -0.076 1.00 0.72 C ATOM 191 O ASN A 13 -6.207 -10.386 -0.646 1.00 0.66 O ATOM 192 CB ASN A 13 -7.146 -12.573 1.514 1.00 1.74 C ATOM 193 CG ASN A 13 -6.518 -12.995 2.828 1.00 2.58 C ATOM 194 OD1 ASN A 13 -7.154 -12.935 3.881 1.00 2.93 O ATOM 195 ND2 ASN A 13 -5.262 -13.424 2.773 1.00 3.45 N ATOM 0 H ASN A 13 -9.335 -11.153 1.816 1.00 0.66 H new ATOM 0 HA ASN A 13 -6.439 -10.579 1.892 1.00 0.93 H new ATOM 0 HB2 ASN A 13 -8.130 -13.032 1.421 1.00 1.74 H new ATOM 0 HB3 ASN A 13 -6.540 -12.947 0.689 1.00 1.74 H new ATOM 0 HD21 ASN A 13 -4.787 -13.720 3.625 1.00 3.45 H new ATOM 0 HD22 ASN A 13 -4.773 -13.457 1.878 1.00 3.45 H new ATOM 202 N HIS A 14 -8.447 -10.594 -0.685 1.00 0.71 N ATOM 203 CA HIS A 14 -8.567 -10.218 -2.089 1.00 0.62 C ATOM 204 C HIS A 14 -8.003 -8.822 -2.329 1.00 0.55 C ATOM 205 O HIS A 14 -7.401 -8.555 -3.369 1.00 0.50 O ATOM 206 CB HIS A 14 -10.030 -10.271 -2.530 1.00 0.84 C ATOM 207 CG HIS A 14 -10.600 -11.655 -2.555 1.00 1.16 C ATOM 208 ND1 HIS A 14 -11.842 -11.949 -3.075 1.00 2.04 N ATOM 209 CD2 HIS A 14 -10.089 -12.832 -2.119 1.00 1.80 C ATOM 210 CE1 HIS A 14 -12.071 -13.245 -2.958 1.00 2.61 C ATOM 211 NE2 HIS A 14 -11.023 -13.803 -2.382 1.00 2.41 N ATOM 0 H HIS A 14 -9.334 -10.807 -0.228 1.00 0.71 H new ATOM 0 HA HIS A 14 -7.990 -10.930 -2.680 1.00 0.62 H new ATOM 0 HB2 HIS A 14 -10.626 -9.654 -1.857 1.00 0.84 H new ATOM 0 HB3 HIS A 14 -10.117 -9.834 -3.525 1.00 0.84 H new ATOM 0 HD2 HIS A 14 -9.126 -12.979 -1.652 1.00 1.80 H new ATOM 0 HE1 HIS A 14 -12.964 -13.760 -3.279 1.00 2.61 H new ATOM 0 HE2 HIS A 14 -10.923 -14.795 -2.167 1.00 2.41 H new ATOM 220 N CYS A 15 -8.204 -7.936 -1.361 1.00 0.60 N ATOM 221 CA CYS A 15 -7.717 -6.566 -1.467 1.00 0.56 C ATOM 222 C CYS A 15 -6.197 -6.520 -1.365 1.00 0.49 C ATOM 223 O CYS A 15 -5.541 -5.742 -2.057 1.00 0.49 O ATOM 224 CB CYS A 15 -8.340 -5.695 -0.374 1.00 0.63 C ATOM 225 SG CYS A 15 -10.016 -5.129 -0.747 1.00 1.20 S ATOM 0 H CYS A 15 -8.701 -8.142 -0.494 1.00 0.60 H new ATOM 0 HA CYS A 15 -8.010 -6.177 -2.442 1.00 0.56 H new ATOM 0 HB2 CYS A 15 -8.358 -6.259 0.559 1.00 0.63 H new ATOM 0 HB3 CYS A 15 -7.703 -4.826 -0.209 1.00 0.63 H new ATOM 0 HG CYS A 15 -10.458 -4.403 0.236 1.00 1.20 H new ATOM 231 N VAL A 16 -5.644 -7.358 -0.497 1.00 0.48 N ATOM 232 CA VAL A 16 -4.200 -7.414 -0.303 1.00 0.43 C ATOM 233 C VAL A 16 -3.495 -7.893 -1.567 1.00 0.36 C ATOM 234 O VAL A 16 -2.429 -7.391 -1.922 1.00 0.37 O ATOM 235 CB VAL A 16 -3.824 -8.344 0.867 1.00 0.50 C ATOM 236 CG1 VAL A 16 -2.332 -8.269 1.153 1.00 0.51 C ATOM 237 CG2 VAL A 16 -4.630 -7.994 2.109 1.00 0.54 C ATOM 0 H VAL A 16 -6.173 -8.008 0.084 1.00 0.48 H new ATOM 0 HA VAL A 16 -3.873 -6.401 -0.069 1.00 0.43 H new ATOM 0 HB VAL A 16 -4.064 -9.368 0.582 1.00 0.50 H new ATOM 0 HG11 VAL A 16 -2.087 -8.933 1.982 1.00 0.51 H new ATOM 0 HG12 VAL A 16 -1.776 -8.575 0.267 1.00 0.51 H new ATOM 0 HG13 VAL A 16 -2.063 -7.246 1.415 1.00 0.51 H new ATOM 0 HG21 VAL A 16 -4.351 -8.661 2.924 1.00 0.54 H new ATOM 0 HG22 VAL A 16 -4.425 -6.963 2.397 1.00 0.54 H new ATOM 0 HG23 VAL A 16 -5.693 -8.106 1.896 1.00 0.54 H new ATOM 247 N ASP A 17 -4.097 -8.866 -2.239 1.00 0.35 N ATOM 248 CA ASP A 17 -3.528 -9.415 -3.465 1.00 0.30 C ATOM 249 C ASP A 17 -3.586 -8.395 -4.598 1.00 0.28 C ATOM 250 O ASP A 17 -2.712 -8.365 -5.464 1.00 0.29 O ATOM 251 CB ASP A 17 -4.271 -10.689 -3.871 1.00 0.35 C ATOM 252 CG ASP A 17 -3.647 -11.936 -3.276 1.00 1.08 C ATOM 253 OD1 ASP A 17 -2.904 -11.812 -2.280 1.00 2.04 O ATOM 254 OD2 ASP A 17 -3.901 -13.038 -3.807 1.00 1.46 O ATOM 0 H ASP A 17 -4.980 -9.292 -1.956 1.00 0.35 H new ATOM 0 HA ASP A 17 -2.483 -9.658 -3.273 1.00 0.30 H new ATOM 0 HB2 ASP A 17 -5.310 -10.618 -3.551 1.00 0.35 H new ATOM 0 HB3 ASP A 17 -4.277 -10.772 -4.958 1.00 0.35 H new ATOM 259 N LYS A 18 -4.620 -7.561 -4.583 1.00 0.31 N ATOM 260 CA LYS A 18 -4.791 -6.538 -5.607 1.00 0.34 C ATOM 261 C LYS A 18 -3.826 -5.383 -5.379 1.00 0.29 C ATOM 262 O LYS A 18 -3.224 -4.866 -6.320 1.00 0.28 O ATOM 263 CB LYS A 18 -6.232 -6.025 -5.612 1.00 0.44 C ATOM 264 CG LYS A 18 -6.782 -5.768 -7.005 1.00 1.13 C ATOM 265 CD LYS A 18 -7.023 -7.067 -7.758 1.00 1.38 C ATOM 266 CE LYS A 18 -8.321 -7.020 -8.549 1.00 2.23 C ATOM 267 NZ LYS A 18 -8.113 -6.493 -9.926 1.00 2.86 N ATOM 0 H LYS A 18 -5.352 -7.574 -3.873 1.00 0.31 H new ATOM 0 HA LYS A 18 -4.573 -6.986 -6.577 1.00 0.34 H new ATOM 0 HB2 LYS A 18 -6.869 -6.751 -5.107 1.00 0.44 H new ATOM 0 HB3 LYS A 18 -6.282 -5.102 -5.035 1.00 0.44 H new ATOM 0 HG2 LYS A 18 -7.716 -5.210 -6.931 1.00 1.13 H new ATOM 0 HG3 LYS A 18 -6.083 -5.146 -7.564 1.00 1.13 H new ATOM 0 HD2 LYS A 18 -6.190 -7.256 -8.435 1.00 1.38 H new ATOM 0 HD3 LYS A 18 -7.056 -7.897 -7.052 1.00 1.38 H new ATOM 0 HE2 LYS A 18 -8.749 -8.021 -8.604 1.00 2.23 H new ATOM 0 HE3 LYS A 18 -9.043 -6.393 -8.025 1.00 2.23 H new ATOM 0 HZ1 LYS A 18 -9.021 -6.477 -10.432 1.00 2.86 H new ATOM 0 HZ2 LYS A 18 -7.728 -5.528 -9.874 1.00 2.86 H new ATOM 0 HZ3 LYS A 18 -7.444 -7.105 -10.435 1.00 2.86 H new ATOM 281 N ILE A 19 -3.679 -4.988 -4.121 1.00 0.30 N ATOM 282 CA ILE A 19 -2.782 -3.899 -3.763 1.00 0.28 C ATOM 283 C ILE A 19 -1.329 -4.354 -3.837 1.00 0.23 C ATOM 284 O ILE A 19 -0.437 -3.566 -4.149 1.00 0.23 O ATOM 285 CB ILE A 19 -3.081 -3.366 -2.347 1.00 0.34 C ATOM 286 CG1 ILE A 19 -4.519 -2.852 -2.270 1.00 0.45 C ATOM 287 CG2 ILE A 19 -2.099 -2.265 -1.967 1.00 0.38 C ATOM 288 CD1 ILE A 19 -4.764 -1.611 -3.100 1.00 0.80 C ATOM 0 H ILE A 19 -4.170 -5.407 -3.331 1.00 0.30 H new ATOM 0 HA ILE A 19 -2.946 -3.094 -4.479 1.00 0.28 H new ATOM 0 HB ILE A 19 -2.964 -4.185 -1.637 1.00 0.34 H new ATOM 0 HG12 ILE A 19 -5.196 -3.640 -2.601 1.00 0.45 H new ATOM 0 HG13 ILE A 19 -4.764 -2.637 -1.230 1.00 0.45 H new ATOM 0 HG21 ILE A 19 -2.328 -1.903 -0.965 1.00 0.38 H new ATOM 0 HG22 ILE A 19 -1.083 -2.660 -1.987 1.00 0.38 H new ATOM 0 HG23 ILE A 19 -2.182 -1.442 -2.677 1.00 0.38 H new ATOM 0 HD11 ILE A 19 -5.805 -1.304 -2.997 1.00 0.80 H new ATOM 0 HD12 ILE A 19 -4.113 -0.808 -2.755 1.00 0.80 H new ATOM 0 HD13 ILE A 19 -4.551 -1.826 -4.147 1.00 0.80 H new ATOM 300 N GLU A 20 -1.099 -5.632 -3.556 1.00 0.19 N ATOM 301 CA GLU A 20 0.246 -6.187 -3.601 1.00 0.17 C ATOM 302 C GLU A 20 0.685 -6.400 -5.043 1.00 0.15 C ATOM 303 O GLU A 20 1.871 -6.310 -5.361 1.00 0.16 O ATOM 304 CB GLU A 20 0.311 -7.507 -2.831 1.00 0.19 C ATOM 305 CG GLU A 20 0.481 -7.329 -1.331 1.00 0.59 C ATOM 306 CD GLU A 20 1.515 -8.271 -0.745 1.00 1.15 C ATOM 307 OE1 GLU A 20 1.152 -9.420 -0.416 1.00 1.73 O ATOM 308 OE2 GLU A 20 2.687 -7.860 -0.616 1.00 1.89 O ATOM 0 H GLU A 20 -1.825 -6.300 -3.296 1.00 0.19 H new ATOM 0 HA GLU A 20 0.924 -5.476 -3.129 1.00 0.17 H new ATOM 0 HB2 GLU A 20 -0.601 -8.074 -3.020 1.00 0.19 H new ATOM 0 HB3 GLU A 20 1.141 -8.101 -3.214 1.00 0.19 H new ATOM 0 HG2 GLU A 20 0.773 -6.300 -1.122 1.00 0.59 H new ATOM 0 HG3 GLU A 20 -0.477 -7.495 -0.838 1.00 0.59 H new ATOM 315 N LYS A 21 -0.278 -6.673 -5.917 1.00 0.17 N ATOM 316 CA LYS A 21 0.019 -6.881 -7.327 1.00 0.20 C ATOM 317 C LYS A 21 0.431 -5.565 -7.974 1.00 0.21 C ATOM 318 O LYS A 21 1.269 -5.537 -8.875 1.00 0.23 O ATOM 319 CB LYS A 21 -1.196 -7.470 -8.050 1.00 0.25 C ATOM 320 CG LYS A 21 -1.056 -8.950 -8.367 1.00 0.57 C ATOM 321 CD LYS A 21 -0.306 -9.171 -9.671 1.00 1.29 C ATOM 322 CE LYS A 21 -0.910 -10.311 -10.475 1.00 1.89 C ATOM 323 NZ LYS A 21 -0.482 -10.274 -11.901 1.00 2.62 N ATOM 0 H LYS A 21 -1.265 -6.755 -5.674 1.00 0.17 H new ATOM 0 HA LYS A 21 0.845 -7.588 -7.408 1.00 0.20 H new ATOM 0 HB2 LYS A 21 -2.083 -7.321 -7.434 1.00 0.25 H new ATOM 0 HB3 LYS A 21 -1.357 -6.922 -8.978 1.00 0.25 H new ATOM 0 HG2 LYS A 21 -0.529 -9.449 -7.554 1.00 0.57 H new ATOM 0 HG3 LYS A 21 -2.045 -9.404 -8.433 1.00 0.57 H new ATOM 0 HD2 LYS A 21 -0.326 -8.256 -10.263 1.00 1.29 H new ATOM 0 HD3 LYS A 21 0.740 -9.389 -9.458 1.00 1.29 H new ATOM 0 HE2 LYS A 21 -0.616 -11.263 -10.032 1.00 1.89 H new ATOM 0 HE3 LYS A 21 -1.997 -10.257 -10.421 1.00 1.89 H new ATOM 0 HZ1 LYS A 21 -0.916 -11.068 -12.414 1.00 2.62 H new ATOM 0 HZ2 LYS A 21 -0.785 -9.377 -12.331 1.00 2.62 H new ATOM 0 HZ3 LYS A 21 0.554 -10.352 -11.955 1.00 2.62 H new ATOM 337 N PHE A 22 -0.158 -4.475 -7.495 1.00 0.21 N ATOM 338 CA PHE A 22 0.150 -3.149 -8.011 1.00 0.23 C ATOM 339 C PHE A 22 1.296 -2.525 -7.227 1.00 0.21 C ATOM 340 O PHE A 22 2.282 -2.069 -7.804 1.00 0.24 O ATOM 341 CB PHE A 22 -1.085 -2.249 -7.941 1.00 0.26 C ATOM 342 CG PHE A 22 -1.975 -2.357 -9.145 1.00 0.52 C ATOM 343 CD1 PHE A 22 -2.452 -3.589 -9.563 1.00 1.30 C ATOM 344 CD2 PHE A 22 -2.336 -1.226 -9.859 1.00 1.20 C ATOM 345 CE1 PHE A 22 -3.273 -3.691 -10.670 1.00 1.57 C ATOM 346 CE2 PHE A 22 -3.156 -1.321 -10.968 1.00 1.45 C ATOM 347 CZ PHE A 22 -3.625 -2.555 -11.374 1.00 1.30 C ATOM 0 H PHE A 22 -0.853 -4.485 -6.748 1.00 0.21 H new ATOM 0 HA PHE A 22 0.453 -3.249 -9.053 1.00 0.23 H new ATOM 0 HB2 PHE A 22 -1.660 -2.503 -7.050 1.00 0.26 H new ATOM 0 HB3 PHE A 22 -0.764 -1.213 -7.828 1.00 0.26 H new ATOM 0 HD1 PHE A 22 -2.179 -4.480 -9.017 1.00 1.30 H new ATOM 0 HD2 PHE A 22 -1.973 -0.259 -9.546 1.00 1.20 H new ATOM 0 HE1 PHE A 22 -3.639 -4.657 -10.985 1.00 1.57 H new ATOM 0 HE2 PHE A 22 -3.429 -0.432 -11.516 1.00 1.45 H new ATOM 0 HZ PHE A 22 -4.266 -2.632 -12.240 1.00 1.30 H new ATOM 357 N VAL A 23 1.160 -2.517 -5.906 1.00 0.19 N ATOM 358 CA VAL A 23 2.183 -1.955 -5.033 1.00 0.20 C ATOM 359 C VAL A 23 3.426 -2.837 -5.014 1.00 0.20 C ATOM 360 O VAL A 23 4.526 -2.367 -4.726 1.00 0.22 O ATOM 361 CB VAL A 23 1.660 -1.780 -3.595 1.00 0.23 C ATOM 362 CG1 VAL A 23 2.723 -1.146 -2.708 1.00 0.27 C ATOM 363 CG2 VAL A 23 0.388 -0.947 -3.589 1.00 0.26 C ATOM 0 H VAL A 23 0.349 -2.894 -5.415 1.00 0.19 H new ATOM 0 HA VAL A 23 2.443 -0.975 -5.433 1.00 0.20 H new ATOM 0 HB VAL A 23 1.427 -2.766 -3.193 1.00 0.23 H new ATOM 0 HG11 VAL A 23 2.332 -1.032 -1.697 1.00 0.27 H new ATOM 0 HG12 VAL A 23 3.606 -1.784 -2.686 1.00 0.27 H new ATOM 0 HG13 VAL A 23 2.992 -0.168 -3.106 1.00 0.27 H new ATOM 0 HG21 VAL A 23 0.032 -0.833 -2.565 1.00 0.26 H new ATOM 0 HG22 VAL A 23 0.595 0.036 -4.012 1.00 0.26 H new ATOM 0 HG23 VAL A 23 -0.376 -1.446 -4.185 1.00 0.26 H new ATOM 373 N GLY A 24 3.246 -4.118 -5.330 1.00 0.19 N ATOM 374 CA GLY A 24 4.366 -5.041 -5.353 1.00 0.20 C ATOM 375 C GLY A 24 5.550 -4.487 -6.121 1.00 0.20 C ATOM 376 O GLY A 24 6.695 -4.865 -5.871 1.00 0.22 O ATOM 0 H GLY A 24 2.345 -4.531 -5.570 1.00 0.19 H new ATOM 0 HA2 GLY A 24 4.671 -5.265 -4.331 1.00 0.20 H new ATOM 0 HA3 GLY A 24 4.050 -5.981 -5.805 1.00 0.20 H new ATOM 380 N GLU A 25 5.272 -3.577 -7.051 1.00 0.20 N ATOM 381 CA GLU A 25 6.316 -2.956 -7.848 1.00 0.21 C ATOM 382 C GLU A 25 5.819 -1.648 -8.452 1.00 0.16 C ATOM 383 O GLU A 25 5.162 -1.638 -9.493 1.00 0.19 O ATOM 384 CB GLU A 25 6.777 -3.903 -8.957 1.00 0.28 C ATOM 385 CG GLU A 25 8.263 -3.807 -9.261 1.00 1.42 C ATOM 386 CD GLU A 25 8.684 -4.712 -10.402 1.00 2.13 C ATOM 387 OE1 GLU A 25 7.880 -4.901 -11.338 1.00 2.57 O ATOM 388 OE2 GLU A 25 9.819 -5.232 -10.359 1.00 2.90 O ATOM 0 H GLU A 25 4.329 -3.255 -7.269 1.00 0.20 H new ATOM 0 HA GLU A 25 7.162 -2.741 -7.196 1.00 0.21 H new ATOM 0 HB2 GLU A 25 6.539 -4.927 -8.671 1.00 0.28 H new ATOM 0 HB3 GLU A 25 6.214 -3.687 -9.865 1.00 0.28 H new ATOM 0 HG2 GLU A 25 8.514 -2.776 -9.509 1.00 1.42 H new ATOM 0 HG3 GLU A 25 8.830 -4.067 -8.367 1.00 1.42 H new ATOM 395 N ILE A 26 6.151 -0.548 -7.791 1.00 0.15 N ATOM 396 CA ILE A 26 5.760 0.779 -8.251 1.00 0.15 C ATOM 397 C ILE A 26 6.995 1.597 -8.604 1.00 0.14 C ATOM 398 O ILE A 26 7.140 2.749 -8.196 1.00 0.18 O ATOM 399 CB ILE A 26 4.929 1.526 -7.186 1.00 0.21 C ATOM 400 CG1 ILE A 26 3.666 0.735 -6.865 1.00 0.26 C ATOM 401 CG2 ILE A 26 4.564 2.921 -7.670 1.00 0.25 C ATOM 402 CD1 ILE A 26 2.749 0.593 -8.057 1.00 0.29 C ATOM 0 H ILE A 26 6.694 -0.548 -6.928 1.00 0.15 H new ATOM 0 HA ILE A 26 5.140 0.652 -9.138 1.00 0.15 H new ATOM 0 HB ILE A 26 5.530 1.623 -6.282 1.00 0.21 H new ATOM 0 HG12 ILE A 26 3.944 -0.256 -6.506 1.00 0.26 H new ATOM 0 HG13 ILE A 26 3.129 1.229 -6.055 1.00 0.26 H new ATOM 0 HG21 ILE A 26 3.979 3.430 -6.904 1.00 0.25 H new ATOM 0 HG22 ILE A 26 5.474 3.487 -7.867 1.00 0.25 H new ATOM 0 HG23 ILE A 26 3.977 2.847 -8.586 1.00 0.25 H new ATOM 0 HD11 ILE A 26 1.866 0.021 -7.771 1.00 0.29 H new ATOM 0 HD12 ILE A 26 2.445 1.581 -8.402 1.00 0.29 H new ATOM 0 HD13 ILE A 26 3.273 0.074 -8.859 1.00 0.29 H new ATOM 414 N GLU A 27 7.889 0.983 -9.363 1.00 0.14 N ATOM 415 CA GLU A 27 9.120 1.637 -9.775 1.00 0.15 C ATOM 416 C GLU A 27 9.817 2.297 -8.586 1.00 0.14 C ATOM 417 O GLU A 27 10.392 3.375 -8.715 1.00 0.15 O ATOM 418 CB GLU A 27 8.833 2.679 -10.858 1.00 0.18 C ATOM 419 CG GLU A 27 9.904 2.749 -11.934 1.00 0.67 C ATOM 420 CD GLU A 27 9.889 4.064 -12.687 1.00 1.42 C ATOM 421 OE1 GLU A 27 8.894 4.333 -13.393 1.00 2.22 O ATOM 422 OE2 GLU A 27 10.873 4.825 -12.573 1.00 2.08 O ATOM 0 H GLU A 27 7.784 0.029 -9.707 1.00 0.14 H new ATOM 0 HA GLU A 27 9.785 0.875 -10.182 1.00 0.15 H new ATOM 0 HB2 GLU A 27 7.875 2.451 -11.325 1.00 0.18 H new ATOM 0 HB3 GLU A 27 8.735 3.659 -10.391 1.00 0.18 H new ATOM 0 HG2 GLU A 27 10.883 2.608 -11.476 1.00 0.67 H new ATOM 0 HG3 GLU A 27 9.760 1.930 -12.638 1.00 0.67 H new ATOM 429 N GLY A 28 9.759 1.643 -7.430 1.00 0.15 N ATOM 430 CA GLY A 28 10.388 2.186 -6.241 1.00 0.17 C ATOM 431 C GLY A 28 9.747 1.690 -4.957 1.00 0.18 C ATOM 432 O GLY A 28 9.556 2.459 -4.018 1.00 0.27 O ATOM 0 H GLY A 28 9.288 0.748 -7.296 1.00 0.15 H new ATOM 0 HA2 GLY A 28 11.445 1.919 -6.241 1.00 0.17 H new ATOM 0 HA3 GLY A 28 10.334 3.274 -6.272 1.00 0.17 H new ATOM 436 N VAL A 29 9.418 0.402 -4.913 1.00 0.16 N ATOM 437 CA VAL A 29 8.802 -0.191 -3.730 1.00 0.16 C ATOM 438 C VAL A 29 9.740 -1.201 -3.079 1.00 0.17 C ATOM 439 O VAL A 29 10.109 -2.206 -3.686 1.00 0.26 O ATOM 440 CB VAL A 29 7.466 -0.883 -4.072 1.00 0.19 C ATOM 441 CG1 VAL A 29 6.886 -1.580 -2.848 1.00 1.22 C ATOM 442 CG2 VAL A 29 6.477 0.126 -4.631 1.00 1.18 C ATOM 0 H VAL A 29 9.568 -0.251 -5.682 1.00 0.16 H new ATOM 0 HA VAL A 29 8.604 0.622 -3.032 1.00 0.16 H new ATOM 0 HB VAL A 29 7.658 -1.640 -4.832 1.00 0.19 H new ATOM 0 HG11 VAL A 29 5.945 -2.060 -3.115 1.00 1.22 H new ATOM 0 HG12 VAL A 29 7.589 -2.333 -2.491 1.00 1.22 H new ATOM 0 HG13 VAL A 29 6.709 -0.847 -2.061 1.00 1.22 H new ATOM 0 HG21 VAL A 29 5.539 -0.377 -4.868 1.00 1.18 H new ATOM 0 HG22 VAL A 29 6.294 0.905 -3.891 1.00 1.18 H new ATOM 0 HG23 VAL A 29 6.887 0.574 -5.536 1.00 1.18 H new ATOM 452 N SER A 30 10.120 -0.922 -1.838 1.00 0.13 N ATOM 453 CA SER A 30 11.013 -1.797 -1.096 1.00 0.15 C ATOM 454 C SER A 30 10.250 -2.978 -0.495 1.00 0.17 C ATOM 455 O SER A 30 10.681 -4.125 -0.611 1.00 0.22 O ATOM 456 CB SER A 30 11.732 -1.007 0.003 1.00 0.17 C ATOM 457 OG SER A 30 11.774 -1.730 1.223 1.00 1.06 O ATOM 0 H SER A 30 9.821 -0.093 -1.325 1.00 0.13 H new ATOM 0 HA SER A 30 11.756 -2.195 -1.788 1.00 0.15 H new ATOM 0 HB2 SER A 30 12.747 -0.776 -0.319 1.00 0.17 H new ATOM 0 HB3 SER A 30 11.223 -0.056 0.160 1.00 0.17 H new ATOM 0 HG SER A 30 12.373 -1.276 1.852 1.00 1.06 H new ATOM 463 N PHE A 31 9.114 -2.697 0.147 1.00 0.15 N ATOM 464 CA PHE A 31 8.312 -3.751 0.755 1.00 0.18 C ATOM 465 C PHE A 31 6.959 -3.215 1.208 1.00 0.16 C ATOM 466 O PHE A 31 6.887 -2.270 1.994 1.00 0.20 O ATOM 467 CB PHE A 31 9.055 -4.364 1.944 1.00 0.22 C ATOM 468 CG PHE A 31 8.931 -5.860 2.024 1.00 0.41 C ATOM 469 CD1 PHE A 31 7.781 -6.447 2.526 1.00 1.16 C ATOM 470 CD2 PHE A 31 9.965 -6.677 1.597 1.00 1.11 C ATOM 471 CE1 PHE A 31 7.664 -7.822 2.600 1.00 1.31 C ATOM 472 CE2 PHE A 31 9.854 -8.053 1.669 1.00 1.23 C ATOM 473 CZ PHE A 31 8.702 -8.626 2.171 1.00 0.90 C ATOM 0 H PHE A 31 8.735 -1.757 0.257 1.00 0.15 H new ATOM 0 HA PHE A 31 8.143 -4.522 0.004 1.00 0.18 H new ATOM 0 HB2 PHE A 31 10.110 -4.098 1.879 1.00 0.22 H new ATOM 0 HB3 PHE A 31 8.672 -3.926 2.866 1.00 0.22 H new ATOM 0 HD1 PHE A 31 6.967 -5.823 2.863 1.00 1.16 H new ATOM 0 HD2 PHE A 31 10.868 -6.234 1.203 1.00 1.11 H new ATOM 0 HE1 PHE A 31 6.762 -8.267 2.993 1.00 1.31 H new ATOM 0 HE2 PHE A 31 10.667 -8.679 1.333 1.00 1.23 H new ATOM 0 HZ PHE A 31 8.613 -9.701 2.228 1.00 0.90 H new ATOM 483 N ILE A 32 5.889 -3.823 0.708 1.00 0.17 N ATOM 484 CA ILE A 32 4.541 -3.405 1.066 1.00 0.17 C ATOM 485 C ILE A 32 4.018 -4.197 2.260 1.00 0.18 C ATOM 486 O ILE A 32 3.636 -5.361 2.135 1.00 0.21 O ATOM 487 CB ILE A 32 3.564 -3.565 -0.114 1.00 0.21 C ATOM 488 CG1 ILE A 32 2.188 -3.004 0.258 1.00 0.24 C ATOM 489 CG2 ILE A 32 3.461 -5.028 -0.514 1.00 0.24 C ATOM 490 CD1 ILE A 32 1.135 -3.216 -0.806 1.00 0.31 C ATOM 0 H ILE A 32 5.930 -4.605 0.055 1.00 0.17 H new ATOM 0 HA ILE A 32 4.601 -2.350 1.332 1.00 0.17 H new ATOM 0 HB ILE A 32 3.943 -3.002 -0.967 1.00 0.21 H new ATOM 0 HG12 ILE A 32 1.854 -3.471 1.185 1.00 0.24 H new ATOM 0 HG13 ILE A 32 2.282 -1.936 0.455 1.00 0.24 H new ATOM 0 HG21 ILE A 32 2.768 -5.129 -1.349 1.00 0.24 H new ATOM 0 HG22 ILE A 32 4.444 -5.394 -0.812 1.00 0.24 H new ATOM 0 HG23 ILE A 32 3.098 -5.612 0.332 1.00 0.24 H new ATOM 0 HD11 ILE A 32 0.188 -2.792 -0.471 1.00 0.31 H new ATOM 0 HD12 ILE A 32 1.446 -2.725 -1.728 1.00 0.31 H new ATOM 0 HD13 ILE A 32 1.011 -4.284 -0.987 1.00 0.31 H new ATOM 502 N ASP A 33 4.001 -3.552 3.413 1.00 0.16 N ATOM 503 CA ASP A 33 3.521 -4.180 4.639 1.00 0.17 C ATOM 504 C ASP A 33 2.068 -3.800 4.904 1.00 0.19 C ATOM 505 O ASP A 33 1.680 -2.643 4.739 1.00 0.28 O ATOM 506 CB ASP A 33 4.394 -3.766 5.826 1.00 0.19 C ATOM 507 CG ASP A 33 4.603 -4.898 6.812 1.00 0.92 C ATOM 508 OD1 ASP A 33 4.794 -6.048 6.364 1.00 1.80 O ATOM 509 OD2 ASP A 33 4.575 -4.634 8.033 1.00 1.54 O ATOM 0 H ASP A 33 4.315 -2.589 3.530 1.00 0.16 H new ATOM 0 HA ASP A 33 3.582 -5.261 4.515 1.00 0.17 H new ATOM 0 HB2 ASP A 33 5.362 -3.423 5.460 1.00 0.19 H new ATOM 0 HB3 ASP A 33 3.930 -2.923 6.338 1.00 0.19 H new ATOM 514 N VAL A 34 1.266 -4.779 5.309 1.00 0.19 N ATOM 515 CA VAL A 34 -0.145 -4.540 5.590 1.00 0.23 C ATOM 516 C VAL A 34 -0.572 -5.199 6.897 1.00 0.23 C ATOM 517 O VAL A 34 -0.051 -6.248 7.276 1.00 0.24 O ATOM 518 CB VAL A 34 -1.040 -5.065 4.450 1.00 0.29 C ATOM 519 CG1 VAL A 34 -2.482 -4.629 4.659 1.00 0.34 C ATOM 520 CG2 VAL A 34 -0.519 -4.591 3.102 1.00 0.32 C ATOM 0 H VAL A 34 1.568 -5.743 5.450 1.00 0.19 H new ATOM 0 HA VAL A 34 -0.268 -3.460 5.676 1.00 0.23 H new ATOM 0 HB VAL A 34 -1.011 -6.155 4.461 1.00 0.29 H new ATOM 0 HG11 VAL A 34 -3.099 -5.009 3.844 1.00 0.34 H new ATOM 0 HG12 VAL A 34 -2.848 -5.025 5.606 1.00 0.34 H new ATOM 0 HG13 VAL A 34 -2.534 -3.540 4.676 1.00 0.34 H new ATOM 0 HG21 VAL A 34 -1.163 -4.971 2.309 1.00 0.32 H new ATOM 0 HG22 VAL A 34 -0.516 -3.501 3.076 1.00 0.32 H new ATOM 0 HG23 VAL A 34 0.496 -4.960 2.954 1.00 0.32 H new ATOM 530 N SER A 35 -1.528 -4.577 7.580 1.00 0.26 N ATOM 531 CA SER A 35 -2.033 -5.099 8.843 1.00 0.28 C ATOM 532 C SER A 35 -3.558 -5.116 8.847 1.00 0.32 C ATOM 533 O SER A 35 -4.200 -4.066 8.873 1.00 0.43 O ATOM 534 CB SER A 35 -1.516 -4.258 10.012 1.00 0.29 C ATOM 535 OG SER A 35 -0.100 -4.264 10.058 1.00 1.26 O ATOM 0 H SER A 35 -1.969 -3.708 7.278 1.00 0.26 H new ATOM 0 HA SER A 35 -1.673 -6.122 8.957 1.00 0.28 H new ATOM 0 HB2 SER A 35 -1.875 -3.234 9.914 1.00 0.29 H new ATOM 0 HB3 SER A 35 -1.915 -4.647 10.949 1.00 0.29 H new ATOM 0 HG SER A 35 0.205 -3.718 10.813 1.00 1.26 H new ATOM 541 N VAL A 36 -4.134 -6.314 8.814 1.00 0.31 N ATOM 542 CA VAL A 36 -5.584 -6.465 8.809 1.00 0.36 C ATOM 543 C VAL A 36 -6.165 -6.255 10.203 1.00 0.34 C ATOM 544 O VAL A 36 -7.066 -5.437 10.394 1.00 0.34 O ATOM 545 CB VAL A 36 -6.004 -7.856 8.298 1.00 0.41 C ATOM 546 CG1 VAL A 36 -7.507 -7.910 8.064 1.00 0.48 C ATOM 547 CG2 VAL A 36 -5.247 -8.210 7.026 1.00 0.46 C ATOM 0 H VAL A 36 -3.618 -7.194 8.790 1.00 0.31 H new ATOM 0 HA VAL A 36 -5.976 -5.704 8.135 1.00 0.36 H new ATOM 0 HB VAL A 36 -5.752 -8.593 9.061 1.00 0.41 H new ATOM 0 HG11 VAL A 36 -7.784 -8.901 7.703 1.00 0.48 H new ATOM 0 HG12 VAL A 36 -8.028 -7.706 8.999 1.00 0.48 H new ATOM 0 HG13 VAL A 36 -7.787 -7.162 7.322 1.00 0.48 H new ATOM 0 HG21 VAL A 36 -5.557 -9.196 6.680 1.00 0.46 H new ATOM 0 HG22 VAL A 36 -5.464 -7.470 6.255 1.00 0.46 H new ATOM 0 HG23 VAL A 36 -4.176 -8.217 7.230 1.00 0.46 H new ATOM 557 N GLU A 37 -5.645 -6.997 11.175 1.00 0.41 N ATOM 558 CA GLU A 37 -6.114 -6.891 12.552 1.00 0.42 C ATOM 559 C GLU A 37 -5.919 -5.474 13.084 1.00 0.33 C ATOM 560 O GLU A 37 -6.677 -5.011 13.936 1.00 0.34 O ATOM 561 CB GLU A 37 -5.376 -7.893 13.443 1.00 0.55 C ATOM 562 CG GLU A 37 -6.199 -9.125 13.783 1.00 1.44 C ATOM 563 CD GLU A 37 -5.345 -10.282 14.262 1.00 1.89 C ATOM 564 OE1 GLU A 37 -4.347 -10.604 13.583 1.00 2.58 O ATOM 565 OE2 GLU A 37 -5.675 -10.868 15.314 1.00 2.38 O ATOM 0 H GLU A 37 -4.899 -7.678 11.035 1.00 0.41 H new ATOM 0 HA GLU A 37 -7.179 -7.121 12.567 1.00 0.42 H new ATOM 0 HB2 GLU A 37 -4.459 -8.205 12.943 1.00 0.55 H new ATOM 0 HB3 GLU A 37 -5.081 -7.396 14.368 1.00 0.55 H new ATOM 0 HG2 GLU A 37 -6.926 -8.871 14.555 1.00 1.44 H new ATOM 0 HG3 GLU A 37 -6.763 -9.435 12.903 1.00 1.44 H new ATOM 572 N LYS A 38 -4.900 -4.791 12.574 1.00 0.32 N ATOM 573 CA LYS A 38 -4.606 -3.427 12.997 1.00 0.35 C ATOM 574 C LYS A 38 -5.143 -2.410 11.991 1.00 0.32 C ATOM 575 O LYS A 38 -5.278 -1.228 12.306 1.00 0.40 O ATOM 576 CB LYS A 38 -3.098 -3.238 13.171 1.00 0.49 C ATOM 577 CG LYS A 38 -2.459 -4.262 14.096 1.00 0.60 C ATOM 578 CD LYS A 38 -2.730 -3.939 15.558 1.00 1.09 C ATOM 579 CE LYS A 38 -1.443 -3.880 16.366 1.00 1.84 C ATOM 580 NZ LYS A 38 -0.969 -2.481 16.555 1.00 2.76 N ATOM 0 H LYS A 38 -4.264 -5.160 11.867 1.00 0.32 H new ATOM 0 HA LYS A 38 -5.102 -3.259 13.953 1.00 0.35 H new ATOM 0 HB2 LYS A 38 -2.618 -3.294 12.194 1.00 0.49 H new ATOM 0 HB3 LYS A 38 -2.908 -2.239 13.563 1.00 0.49 H new ATOM 0 HG2 LYS A 38 -2.845 -5.254 13.864 1.00 0.60 H new ATOM 0 HG3 LYS A 38 -1.383 -4.290 13.922 1.00 0.60 H new ATOM 0 HD2 LYS A 38 -3.250 -2.983 15.630 1.00 1.09 H new ATOM 0 HD3 LYS A 38 -3.392 -4.694 15.982 1.00 1.09 H new ATOM 0 HE2 LYS A 38 -1.604 -4.343 17.339 1.00 1.84 H new ATOM 0 HE3 LYS A 38 -0.670 -4.460 15.861 1.00 1.84 H new ATOM 0 HZ1 LYS A 38 -0.090 -2.484 17.110 1.00 2.76 H new ATOM 0 HZ2 LYS A 38 -0.791 -2.047 15.627 1.00 2.76 H new ATOM 0 HZ3 LYS A 38 -1.695 -1.934 17.060 1.00 2.76 H new ATOM 594 N LYS A 39 -5.447 -2.874 10.781 1.00 0.28 N ATOM 595 CA LYS A 39 -5.966 -1.997 9.738 1.00 0.31 C ATOM 596 C LYS A 39 -4.955 -0.908 9.393 1.00 0.31 C ATOM 597 O LYS A 39 -5.302 0.269 9.290 1.00 0.39 O ATOM 598 CB LYS A 39 -7.287 -1.365 10.183 1.00 0.38 C ATOM 599 CG LYS A 39 -8.245 -2.351 10.833 1.00 0.46 C ATOM 600 CD LYS A 39 -9.390 -1.636 11.531 1.00 1.31 C ATOM 601 CE LYS A 39 -10.639 -1.607 10.665 1.00 1.42 C ATOM 602 NZ LYS A 39 -11.791 -0.982 11.372 1.00 2.45 N ATOM 0 H LYS A 39 -5.343 -3.849 10.501 1.00 0.28 H new ATOM 0 HA LYS A 39 -6.144 -2.598 8.846 1.00 0.31 H new ATOM 0 HB2 LYS A 39 -7.076 -0.559 10.886 1.00 0.38 H new ATOM 0 HB3 LYS A 39 -7.774 -0.914 9.318 1.00 0.38 H new ATOM 0 HG2 LYS A 39 -8.644 -3.026 10.076 1.00 0.46 H new ATOM 0 HG3 LYS A 39 -7.704 -2.964 11.554 1.00 0.46 H new ATOM 0 HD2 LYS A 39 -9.611 -2.136 12.474 1.00 1.31 H new ATOM 0 HD3 LYS A 39 -9.090 -0.616 11.773 1.00 1.31 H new ATOM 0 HE2 LYS A 39 -10.432 -1.054 9.749 1.00 1.42 H new ATOM 0 HE3 LYS A 39 -10.901 -2.624 10.372 1.00 1.42 H new ATOM 0 HZ1 LYS A 39 -12.623 -0.982 10.748 1.00 2.45 H new ATOM 0 HZ2 LYS A 39 -12.005 -1.524 12.234 1.00 2.45 H new ATOM 0 HZ3 LYS A 39 -11.551 -0.003 11.629 1.00 2.45 H new ATOM 616 N SER A 40 -3.701 -1.311 9.216 1.00 0.25 N ATOM 617 CA SER A 40 -2.634 -0.374 8.883 1.00 0.27 C ATOM 618 C SER A 40 -1.832 -0.875 7.689 1.00 0.26 C ATOM 619 O SER A 40 -1.952 -2.035 7.294 1.00 0.30 O ATOM 620 CB SER A 40 -1.709 -0.178 10.085 1.00 0.28 C ATOM 621 OG SER A 40 -2.347 0.572 11.104 1.00 1.01 O ATOM 0 H SER A 40 -3.398 -2.282 9.298 1.00 0.25 H new ATOM 0 HA SER A 40 -3.087 0.582 8.622 1.00 0.27 H new ATOM 0 HB2 SER A 40 -1.408 -1.149 10.478 1.00 0.28 H new ATOM 0 HB3 SER A 40 -0.800 0.333 9.768 1.00 0.28 H new ATOM 0 HG SER A 40 -1.735 0.682 11.862 1.00 1.01 H new ATOM 627 N VAL A 41 -1.012 -0.001 7.115 1.00 0.23 N ATOM 628 CA VAL A 41 -0.195 -0.370 5.970 1.00 0.23 C ATOM 629 C VAL A 41 1.120 0.395 5.974 1.00 0.22 C ATOM 630 O VAL A 41 1.131 1.624 5.957 1.00 0.30 O ATOM 631 CB VAL A 41 -0.929 -0.099 4.644 1.00 0.29 C ATOM 632 CG1 VAL A 41 -0.142 -0.662 3.471 1.00 0.65 C ATOM 633 CG2 VAL A 41 -2.333 -0.682 4.683 1.00 0.64 C ATOM 0 H VAL A 41 -0.897 0.964 7.424 1.00 0.23 H new ATOM 0 HA VAL A 41 0.005 -1.438 6.052 1.00 0.23 H new ATOM 0 HB VAL A 41 -1.011 0.980 4.510 1.00 0.29 H new ATOM 0 HG11 VAL A 41 -0.677 -0.460 2.543 1.00 0.65 H new ATOM 0 HG12 VAL A 41 0.840 -0.192 3.433 1.00 0.65 H new ATOM 0 HG13 VAL A 41 -0.024 -1.738 3.595 1.00 0.65 H new ATOM 0 HG21 VAL A 41 -2.837 -0.481 3.738 1.00 0.64 H new ATOM 0 HG22 VAL A 41 -2.276 -1.759 4.842 1.00 0.64 H new ATOM 0 HG23 VAL A 41 -2.894 -0.225 5.498 1.00 0.64 H new ATOM 643 N VAL A 42 2.228 -0.335 5.981 1.00 0.17 N ATOM 644 CA VAL A 42 3.541 0.286 5.970 1.00 0.17 C ATOM 645 C VAL A 42 4.298 -0.153 4.735 1.00 0.15 C ATOM 646 O VAL A 42 4.564 -1.338 4.554 1.00 0.15 O ATOM 647 CB VAL A 42 4.356 -0.086 7.222 1.00 0.18 C ATOM 648 CG1 VAL A 42 5.627 0.746 7.301 1.00 0.21 C ATOM 649 CG2 VAL A 42 3.517 0.088 8.479 1.00 0.20 C ATOM 0 H VAL A 42 2.241 -1.355 5.994 1.00 0.17 H new ATOM 0 HA VAL A 42 3.400 1.367 5.964 1.00 0.17 H new ATOM 0 HB VAL A 42 4.641 -1.135 7.146 1.00 0.18 H new ATOM 0 HG11 VAL A 42 6.189 0.468 8.193 1.00 0.21 H new ATOM 0 HG12 VAL A 42 6.237 0.564 6.416 1.00 0.21 H new ATOM 0 HG13 VAL A 42 5.367 1.803 7.351 1.00 0.21 H new ATOM 0 HG21 VAL A 42 4.111 -0.180 9.353 1.00 0.20 H new ATOM 0 HG22 VAL A 42 3.197 1.127 8.562 1.00 0.20 H new ATOM 0 HG23 VAL A 42 2.641 -0.558 8.424 1.00 0.20 H new ATOM 659 N VAL A 43 4.636 0.796 3.879 1.00 0.17 N ATOM 660 CA VAL A 43 5.346 0.476 2.656 1.00 0.16 C ATOM 661 C VAL A 43 6.633 1.269 2.530 1.00 0.14 C ATOM 662 O VAL A 43 6.672 2.467 2.807 1.00 0.14 O ATOM 663 CB VAL A 43 4.472 0.757 1.419 1.00 0.17 C ATOM 664 CG1 VAL A 43 5.172 0.297 0.148 1.00 0.19 C ATOM 665 CG2 VAL A 43 3.114 0.089 1.563 1.00 0.18 C ATOM 0 H VAL A 43 4.431 1.787 4.008 1.00 0.17 H new ATOM 0 HA VAL A 43 5.585 -0.586 2.705 1.00 0.16 H new ATOM 0 HB VAL A 43 4.316 1.833 1.346 1.00 0.17 H new ATOM 0 HG11 VAL A 43 4.537 0.505 -0.713 1.00 0.19 H new ATOM 0 HG12 VAL A 43 6.116 0.830 0.039 1.00 0.19 H new ATOM 0 HG13 VAL A 43 5.365 -0.774 0.206 1.00 0.19 H new ATOM 0 HG21 VAL A 43 2.510 0.298 0.680 1.00 0.18 H new ATOM 0 HG22 VAL A 43 3.247 -0.988 1.665 1.00 0.18 H new ATOM 0 HG23 VAL A 43 2.610 0.477 2.448 1.00 0.18 H new ATOM 675 N GLU A 44 7.675 0.595 2.073 1.00 0.15 N ATOM 676 CA GLU A 44 8.958 1.235 1.865 1.00 0.14 C ATOM 677 C GLU A 44 9.122 1.533 0.393 1.00 0.13 C ATOM 678 O GLU A 44 8.842 0.681 -0.448 1.00 0.13 O ATOM 679 CB GLU A 44 10.106 0.341 2.328 1.00 0.17 C ATOM 680 CG GLU A 44 10.229 0.234 3.839 1.00 0.23 C ATOM 681 CD GLU A 44 11.671 0.212 4.306 1.00 0.86 C ATOM 682 OE1 GLU A 44 12.490 0.966 3.740 1.00 1.64 O ATOM 683 OE2 GLU A 44 11.982 -0.559 5.238 1.00 1.44 O ATOM 0 H GLU A 44 7.655 -0.398 1.839 1.00 0.15 H new ATOM 0 HA GLU A 44 8.986 2.155 2.449 1.00 0.14 H new ATOM 0 HB2 GLU A 44 9.967 -0.657 1.913 1.00 0.17 H new ATOM 0 HB3 GLU A 44 11.041 0.728 1.923 1.00 0.17 H new ATOM 0 HG2 GLU A 44 9.714 1.075 4.302 1.00 0.23 H new ATOM 0 HG3 GLU A 44 9.727 -0.673 4.177 1.00 0.23 H new ATOM 690 N PHE A 45 9.570 2.733 0.077 1.00 0.12 N ATOM 691 CA PHE A 45 9.761 3.107 -1.308 1.00 0.12 C ATOM 692 C PHE A 45 11.126 3.748 -1.509 1.00 0.12 C ATOM 693 O PHE A 45 11.567 4.577 -0.714 1.00 0.14 O ATOM 694 CB PHE A 45 8.637 4.033 -1.780 1.00 0.13 C ATOM 695 CG PHE A 45 8.667 5.397 -1.161 1.00 0.12 C ATOM 696 CD1 PHE A 45 9.648 6.303 -1.514 1.00 1.19 C ATOM 697 CD2 PHE A 45 7.710 5.775 -0.235 1.00 1.18 C ATOM 698 CE1 PHE A 45 9.680 7.565 -0.954 1.00 1.20 C ATOM 699 CE2 PHE A 45 7.733 7.035 0.329 1.00 1.19 C ATOM 700 CZ PHE A 45 8.720 7.933 -0.031 1.00 0.14 C ATOM 0 H PHE A 45 9.806 3.458 0.754 1.00 0.12 H new ATOM 0 HA PHE A 45 9.724 2.203 -1.916 1.00 0.12 H new ATOM 0 HB2 PHE A 45 8.697 4.136 -2.863 1.00 0.13 H new ATOM 0 HB3 PHE A 45 7.678 3.566 -1.557 1.00 0.13 H new ATOM 0 HD1 PHE A 45 10.399 6.021 -2.237 1.00 1.19 H new ATOM 0 HD2 PHE A 45 6.937 5.077 0.049 1.00 1.18 H new ATOM 0 HE1 PHE A 45 10.454 8.263 -1.237 1.00 1.20 H new ATOM 0 HE2 PHE A 45 6.981 7.318 1.050 1.00 1.19 H new ATOM 0 HZ PHE A 45 8.741 8.920 0.408 1.00 0.14 H new ATOM 710 N ASP A 46 11.791 3.334 -2.573 1.00 0.12 N ATOM 711 CA ASP A 46 13.120 3.835 -2.898 1.00 0.14 C ATOM 712 C ASP A 46 13.049 5.217 -3.544 1.00 0.13 C ATOM 713 O ASP A 46 12.002 5.860 -3.550 1.00 0.11 O ATOM 714 CB ASP A 46 13.836 2.851 -3.829 1.00 0.17 C ATOM 715 CG ASP A 46 14.714 1.875 -3.072 1.00 0.57 C ATOM 716 OD1 ASP A 46 14.215 1.248 -2.114 1.00 1.26 O ATOM 717 OD2 ASP A 46 15.900 1.737 -3.437 1.00 1.35 O ATOM 0 H ASP A 46 11.430 2.646 -3.234 1.00 0.12 H new ATOM 0 HA ASP A 46 13.684 3.928 -1.970 1.00 0.14 H new ATOM 0 HB2 ASP A 46 13.096 2.297 -4.407 1.00 0.17 H new ATOM 0 HB3 ASP A 46 14.446 3.407 -4.541 1.00 0.17 H new ATOM 722 N ALA A 47 14.180 5.676 -4.066 1.00 0.14 N ATOM 723 CA ALA A 47 14.265 6.992 -4.689 1.00 0.14 C ATOM 724 C ALA A 47 13.413 7.138 -5.954 1.00 0.12 C ATOM 725 O ALA A 47 13.014 8.253 -6.291 1.00 0.12 O ATOM 726 CB ALA A 47 15.715 7.329 -4.996 1.00 0.17 C ATOM 0 H ALA A 47 15.056 5.153 -4.070 1.00 0.14 H new ATOM 0 HA ALA A 47 13.856 7.697 -3.966 1.00 0.14 H new ATOM 0 HB1 ALA A 47 15.769 8.313 -5.461 1.00 0.17 H new ATOM 0 HB2 ALA A 47 16.291 7.332 -4.071 1.00 0.17 H new ATOM 0 HB3 ALA A 47 16.126 6.583 -5.677 1.00 0.17 H new ATOM 732 N PRO A 48 13.117 6.050 -6.692 1.00 0.12 N ATOM 733 CA PRO A 48 12.323 6.149 -7.903 1.00 0.12 C ATOM 734 C PRO A 48 10.824 6.036 -7.639 1.00 0.11 C ATOM 735 O PRO A 48 10.041 5.816 -8.563 1.00 0.13 O ATOM 736 CB PRO A 48 12.832 4.978 -8.742 1.00 0.14 C ATOM 737 CG PRO A 48 13.350 3.968 -7.764 1.00 0.16 C ATOM 738 CD PRO A 48 13.523 4.660 -6.430 1.00 0.13 C ATOM 0 HA PRO A 48 12.432 7.117 -8.391 1.00 0.12 H new ATOM 0 HB2 PRO A 48 12.032 4.557 -9.352 1.00 0.14 H new ATOM 0 HB3 PRO A 48 13.618 5.299 -9.425 1.00 0.14 H new ATOM 0 HG2 PRO A 48 12.655 3.133 -7.674 1.00 0.16 H new ATOM 0 HG3 PRO A 48 14.300 3.557 -8.107 1.00 0.16 H new ATOM 0 HD2 PRO A 48 12.903 4.202 -5.660 1.00 0.13 H new ATOM 0 HD3 PRO A 48 14.555 4.605 -6.083 1.00 0.13 H new ATOM 746 N ALA A 49 10.421 6.204 -6.378 1.00 0.11 N ATOM 747 CA ALA A 49 9.012 6.133 -6.019 1.00 0.11 C ATOM 748 C ALA A 49 8.589 7.352 -5.216 1.00 0.14 C ATOM 749 O ALA A 49 9.340 8.316 -5.074 1.00 0.15 O ATOM 750 CB ALA A 49 8.719 4.871 -5.224 1.00 0.12 C ATOM 0 H ALA A 49 11.049 6.389 -5.596 1.00 0.11 H new ATOM 0 HA ALA A 49 8.440 6.109 -6.946 1.00 0.11 H new ATOM 0 HB1 ALA A 49 7.660 4.840 -4.967 1.00 0.12 H new ATOM 0 HB2 ALA A 49 8.973 3.996 -5.823 1.00 0.12 H new ATOM 0 HB3 ALA A 49 9.314 4.870 -4.311 1.00 0.12 H new ATOM 756 N THR A 50 7.377 7.287 -4.687 1.00 0.17 N ATOM 757 CA THR A 50 6.824 8.358 -3.885 1.00 0.20 C ATOM 758 C THR A 50 5.462 7.945 -3.354 1.00 0.22 C ATOM 759 O THR A 50 4.748 7.169 -3.990 1.00 0.19 O ATOM 760 CB THR A 50 6.703 9.640 -4.712 1.00 0.22 C ATOM 761 OG1 THR A 50 6.594 9.338 -6.092 1.00 0.26 O ATOM 762 CG2 THR A 50 7.878 10.577 -4.540 1.00 0.31 C ATOM 0 H THR A 50 6.752 6.489 -4.804 1.00 0.17 H new ATOM 0 HA THR A 50 7.492 8.554 -3.047 1.00 0.20 H new ATOM 0 HB THR A 50 5.806 10.137 -4.343 1.00 0.22 H new ATOM 0 HG1 THR A 50 6.516 10.170 -6.604 1.00 0.26 H new ATOM 0 HG21 THR A 50 7.728 11.465 -5.154 1.00 0.31 H new ATOM 0 HG22 THR A 50 7.960 10.869 -3.493 1.00 0.31 H new ATOM 0 HG23 THR A 50 8.794 10.073 -4.849 1.00 0.31 H new ATOM 770 N GLN A 51 5.099 8.466 -2.193 1.00 0.26 N ATOM 771 CA GLN A 51 3.812 8.147 -1.591 1.00 0.28 C ATOM 772 C GLN A 51 2.669 8.548 -2.515 1.00 0.27 C ATOM 773 O GLN A 51 1.521 8.158 -2.304 1.00 0.28 O ATOM 774 CB GLN A 51 3.665 8.838 -0.234 1.00 0.34 C ATOM 775 CG GLN A 51 4.852 8.626 0.693 1.00 0.36 C ATOM 776 CD GLN A 51 4.741 9.429 1.975 1.00 0.85 C ATOM 777 OE1 GLN A 51 4.564 8.870 3.057 1.00 1.66 O ATOM 778 NE2 GLN A 51 4.845 10.747 1.857 1.00 1.50 N ATOM 0 H GLN A 51 5.674 9.109 -1.649 1.00 0.26 H new ATOM 0 HA GLN A 51 3.769 7.069 -1.438 1.00 0.28 H new ATOM 0 HB2 GLN A 51 3.527 9.907 -0.394 1.00 0.34 H new ATOM 0 HB3 GLN A 51 2.763 8.470 0.255 1.00 0.34 H new ATOM 0 HG2 GLN A 51 4.933 7.567 0.938 1.00 0.36 H new ATOM 0 HG3 GLN A 51 5.769 8.904 0.173 1.00 0.36 H new ATOM 0 HE21 GLN A 51 4.992 11.167 0.939 1.00 1.50 H new ATOM 0 HE22 GLN A 51 4.778 11.340 2.684 1.00 1.50 H new ATOM 787 N ASP A 52 2.995 9.306 -3.557 1.00 0.27 N ATOM 788 CA ASP A 52 1.999 9.729 -4.527 1.00 0.28 C ATOM 789 C ASP A 52 1.913 8.704 -5.652 1.00 0.24 C ATOM 790 O ASP A 52 1.001 8.742 -6.477 1.00 0.25 O ATOM 791 CB ASP A 52 2.350 11.106 -5.093 1.00 0.32 C ATOM 792 CG ASP A 52 1.651 12.230 -4.353 1.00 1.12 C ATOM 793 OD1 ASP A 52 0.504 12.021 -3.903 1.00 2.00 O ATOM 794 OD2 ASP A 52 2.250 13.318 -4.222 1.00 1.71 O ATOM 0 H ASP A 52 3.940 9.638 -3.749 1.00 0.27 H new ATOM 0 HA ASP A 52 1.031 9.800 -4.030 1.00 0.28 H new ATOM 0 HB2 ASP A 52 3.429 11.254 -5.038 1.00 0.32 H new ATOM 0 HB3 ASP A 52 2.076 11.143 -6.147 1.00 0.32 H new ATOM 799 N LEU A 53 2.872 7.780 -5.667 1.00 0.20 N ATOM 800 CA LEU A 53 2.911 6.732 -6.674 1.00 0.18 C ATOM 801 C LEU A 53 2.157 5.505 -6.182 1.00 0.16 C ATOM 802 O LEU A 53 1.433 4.859 -6.939 1.00 0.16 O ATOM 803 CB LEU A 53 4.359 6.369 -7.010 1.00 0.18 C ATOM 804 CG LEU A 53 4.844 6.838 -8.384 1.00 0.58 C ATOM 805 CD1 LEU A 53 6.246 6.316 -8.664 1.00 0.54 C ATOM 806 CD2 LEU A 53 3.878 6.390 -9.472 1.00 1.07 C ATOM 0 H LEU A 53 3.633 7.740 -4.989 1.00 0.20 H new ATOM 0 HA LEU A 53 2.429 7.099 -7.580 1.00 0.18 H new ATOM 0 HB2 LEU A 53 5.010 6.795 -6.247 1.00 0.18 H new ATOM 0 HB3 LEU A 53 4.468 5.286 -6.954 1.00 0.18 H new ATOM 0 HG LEU A 53 4.879 7.927 -8.383 1.00 0.58 H new ATOM 0 HD11 LEU A 53 6.573 6.660 -9.645 1.00 0.54 H new ATOM 0 HD12 LEU A 53 6.931 6.687 -7.902 1.00 0.54 H new ATOM 0 HD13 LEU A 53 6.239 5.226 -8.645 1.00 0.54 H new ATOM 0 HD21 LEU A 53 4.239 6.732 -10.442 1.00 1.07 H new ATOM 0 HD22 LEU A 53 3.810 5.302 -9.473 1.00 1.07 H new ATOM 0 HD23 LEU A 53 2.892 6.815 -9.281 1.00 1.07 H new ATOM 818 N ILE A 54 2.329 5.197 -4.901 1.00 0.15 N ATOM 819 CA ILE A 54 1.660 4.054 -4.295 1.00 0.16 C ATOM 820 C ILE A 54 0.176 4.347 -4.089 1.00 0.18 C ATOM 821 O ILE A 54 -0.652 3.439 -4.073 1.00 0.20 O ATOM 822 CB ILE A 54 2.301 3.678 -2.945 1.00 0.18 C ATOM 823 CG1 ILE A 54 3.816 3.531 -3.104 1.00 0.21 C ATOM 824 CG2 ILE A 54 1.692 2.393 -2.402 1.00 0.19 C ATOM 825 CD1 ILE A 54 4.564 3.471 -1.790 1.00 0.14 C ATOM 0 H ILE A 54 2.926 5.723 -4.263 1.00 0.15 H new ATOM 0 HA ILE A 54 1.771 3.212 -4.978 1.00 0.16 H new ATOM 0 HB ILE A 54 2.102 4.476 -2.230 1.00 0.18 H new ATOM 0 HG12 ILE A 54 4.026 2.625 -3.673 1.00 0.21 H new ATOM 0 HG13 ILE A 54 4.194 4.370 -3.689 1.00 0.21 H new ATOM 0 HG21 ILE A 54 2.158 2.144 -1.448 1.00 0.19 H new ATOM 0 HG22 ILE A 54 0.620 2.531 -2.258 1.00 0.19 H new ATOM 0 HG23 ILE A 54 1.861 1.582 -3.111 1.00 0.19 H new ATOM 0 HD11 ILE A 54 5.632 3.367 -1.984 1.00 0.14 H new ATOM 0 HD12 ILE A 54 4.385 4.387 -1.227 1.00 0.14 H new ATOM 0 HD13 ILE A 54 4.215 2.616 -1.211 1.00 0.14 H new ATOM 837 N LYS A 55 -0.152 5.629 -3.956 1.00 0.21 N ATOM 838 CA LYS A 55 -1.524 6.058 -3.777 1.00 0.24 C ATOM 839 C LYS A 55 -2.222 6.081 -5.122 1.00 0.22 C ATOM 840 O LYS A 55 -3.329 5.582 -5.267 1.00 0.22 O ATOM 841 CB LYS A 55 -1.574 7.445 -3.132 1.00 0.30 C ATOM 842 CG LYS A 55 -1.650 7.407 -1.615 1.00 0.49 C ATOM 843 CD LYS A 55 -1.628 8.806 -1.021 1.00 1.18 C ATOM 844 CE LYS A 55 -2.565 8.921 0.170 1.00 1.59 C ATOM 845 NZ LYS A 55 -2.403 10.218 0.882 1.00 1.87 N ATOM 0 H LYS A 55 0.526 6.391 -3.970 1.00 0.21 H new ATOM 0 HA LYS A 55 -2.033 5.357 -3.116 1.00 0.24 H new ATOM 0 HB2 LYS A 55 -0.689 8.007 -3.429 1.00 0.30 H new ATOM 0 HB3 LYS A 55 -2.439 7.985 -3.518 1.00 0.30 H new ATOM 0 HG2 LYS A 55 -2.562 6.895 -1.308 1.00 0.49 H new ATOM 0 HG3 LYS A 55 -0.813 6.830 -1.222 1.00 0.49 H new ATOM 0 HD2 LYS A 55 -0.613 9.055 -0.712 1.00 1.18 H new ATOM 0 HD3 LYS A 55 -1.916 9.530 -1.783 1.00 1.18 H new ATOM 0 HE2 LYS A 55 -3.596 8.819 -0.168 1.00 1.59 H new ATOM 0 HE3 LYS A 55 -2.374 8.101 0.862 1.00 1.59 H new ATOM 0 HZ1 LYS A 55 -3.060 10.256 1.687 1.00 1.87 H new ATOM 0 HZ2 LYS A 55 -1.426 10.305 1.228 1.00 1.87 H new ATOM 0 HZ3 LYS A 55 -2.610 11.001 0.229 1.00 1.87 H new ATOM 859 N GLU A 56 -1.551 6.645 -6.114 1.00 0.22 N ATOM 860 CA GLU A 56 -2.102 6.711 -7.458 1.00 0.23 C ATOM 861 C GLU A 56 -2.332 5.305 -8.000 1.00 0.21 C ATOM 862 O GLU A 56 -3.216 5.085 -8.826 1.00 0.24 O ATOM 863 CB GLU A 56 -1.165 7.486 -8.386 1.00 0.27 C ATOM 864 CG GLU A 56 -1.857 8.046 -9.618 1.00 1.08 C ATOM 865 CD GLU A 56 -0.958 8.961 -10.426 1.00 1.70 C ATOM 866 OE1 GLU A 56 0.013 8.458 -11.029 1.00 2.42 O ATOM 867 OE2 GLU A 56 -1.226 10.181 -10.457 1.00 2.22 O ATOM 0 H GLU A 56 -0.626 7.063 -6.014 1.00 0.22 H new ATOM 0 HA GLU A 56 -3.057 7.235 -7.415 1.00 0.23 H new ATOM 0 HB2 GLU A 56 -0.712 8.306 -7.829 1.00 0.27 H new ATOM 0 HB3 GLU A 56 -0.354 6.829 -8.702 1.00 0.27 H new ATOM 0 HG2 GLU A 56 -2.192 7.222 -10.248 1.00 1.08 H new ATOM 0 HG3 GLU A 56 -2.747 8.595 -9.312 1.00 1.08 H new ATOM 874 N ALA A 57 -1.532 4.355 -7.521 1.00 0.18 N ATOM 875 CA ALA A 57 -1.652 2.968 -7.950 1.00 0.20 C ATOM 876 C ALA A 57 -2.607 2.196 -7.051 1.00 0.21 C ATOM 877 O ALA A 57 -3.523 1.527 -7.530 1.00 0.25 O ATOM 878 CB ALA A 57 -0.286 2.298 -7.974 1.00 0.21 C ATOM 0 H ALA A 57 -0.795 4.522 -6.836 1.00 0.18 H new ATOM 0 HA ALA A 57 -2.062 2.963 -8.960 1.00 0.20 H new ATOM 0 HB1 ALA A 57 -0.394 1.262 -8.297 1.00 0.21 H new ATOM 0 HB2 ALA A 57 0.367 2.828 -8.668 1.00 0.21 H new ATOM 0 HB3 ALA A 57 0.149 2.323 -6.975 1.00 0.21 H new ATOM 884 N LEU A 58 -2.391 2.294 -5.745 1.00 0.21 N ATOM 885 CA LEU A 58 -3.242 1.601 -4.785 1.00 0.25 C ATOM 886 C LEU A 58 -4.655 2.166 -4.820 1.00 0.26 C ATOM 887 O LEU A 58 -5.631 1.429 -4.673 1.00 0.29 O ATOM 888 CB LEU A 58 -2.662 1.692 -3.366 1.00 0.29 C ATOM 889 CG LEU A 58 -2.972 2.984 -2.608 1.00 0.30 C ATOM 890 CD1 LEU A 58 -4.333 2.900 -1.934 1.00 0.38 C ATOM 891 CD2 LEU A 58 -1.888 3.270 -1.581 1.00 0.33 C ATOM 0 H LEU A 58 -1.639 2.843 -5.328 1.00 0.21 H new ATOM 0 HA LEU A 58 -3.280 0.549 -5.067 1.00 0.25 H new ATOM 0 HB2 LEU A 58 -3.039 0.851 -2.784 1.00 0.29 H new ATOM 0 HB3 LEU A 58 -1.580 1.578 -3.427 1.00 0.29 H new ATOM 0 HG LEU A 58 -2.996 3.804 -3.326 1.00 0.30 H new ATOM 0 HD11 LEU A 58 -4.533 3.829 -1.401 1.00 0.38 H new ATOM 0 HD12 LEU A 58 -5.104 2.742 -2.689 1.00 0.38 H new ATOM 0 HD13 LEU A 58 -4.339 2.069 -1.229 1.00 0.38 H new ATOM 0 HD21 LEU A 58 -2.124 4.193 -1.050 1.00 0.33 H new ATOM 0 HD22 LEU A 58 -1.834 2.446 -0.870 1.00 0.33 H new ATOM 0 HD23 LEU A 58 -0.928 3.377 -2.086 1.00 0.33 H new ATOM 903 N LEU A 59 -4.765 3.476 -5.029 1.00 0.25 N ATOM 904 CA LEU A 59 -6.079 4.113 -5.095 1.00 0.28 C ATOM 905 C LEU A 59 -6.770 3.733 -6.397 1.00 0.29 C ATOM 906 O LEU A 59 -7.960 3.421 -6.411 1.00 0.33 O ATOM 907 CB LEU A 59 -5.978 5.641 -4.956 1.00 0.31 C ATOM 908 CG LEU A 59 -5.686 6.414 -6.247 1.00 1.26 C ATOM 909 CD1 LEU A 59 -6.963 6.616 -7.053 1.00 1.88 C ATOM 910 CD2 LEU A 59 -5.041 7.756 -5.928 1.00 2.00 C ATOM 0 H LEU A 59 -3.975 4.109 -5.154 1.00 0.25 H new ATOM 0 HA LEU A 59 -6.674 3.754 -4.256 1.00 0.28 H new ATOM 0 HB2 LEU A 59 -6.914 6.011 -4.538 1.00 0.31 H new ATOM 0 HB3 LEU A 59 -5.194 5.869 -4.234 1.00 0.31 H new ATOM 0 HG LEU A 59 -4.990 5.828 -6.848 1.00 1.26 H new ATOM 0 HD11 LEU A 59 -6.734 7.167 -7.965 1.00 1.88 H new ATOM 0 HD12 LEU A 59 -7.387 5.646 -7.311 1.00 1.88 H new ATOM 0 HD13 LEU A 59 -7.682 7.180 -6.460 1.00 1.88 H new ATOM 0 HD21 LEU A 59 -4.840 8.293 -6.855 1.00 2.00 H new ATOM 0 HD22 LEU A 59 -5.715 8.345 -5.307 1.00 2.00 H new ATOM 0 HD23 LEU A 59 -4.105 7.592 -5.393 1.00 2.00 H new ATOM 922 N ASP A 60 -6.007 3.731 -7.486 1.00 0.28 N ATOM 923 CA ASP A 60 -6.546 3.353 -8.782 1.00 0.32 C ATOM 924 C ASP A 60 -6.793 1.850 -8.813 1.00 0.34 C ATOM 925 O ASP A 60 -7.556 1.350 -9.640 1.00 0.40 O ATOM 926 CB ASP A 60 -5.587 3.748 -9.906 1.00 0.30 C ATOM 927 CG ASP A 60 -5.722 5.208 -10.296 1.00 1.11 C ATOM 928 OD1 ASP A 60 -6.850 5.738 -10.230 1.00 1.97 O ATOM 929 OD2 ASP A 60 -4.698 5.820 -10.668 1.00 1.72 O ATOM 0 H ASP A 60 -5.019 3.986 -7.494 1.00 0.28 H new ATOM 0 HA ASP A 60 -7.487 3.880 -8.936 1.00 0.32 H new ATOM 0 HB2 ASP A 60 -4.562 3.552 -9.591 1.00 0.30 H new ATOM 0 HB3 ASP A 60 -5.777 3.123 -10.778 1.00 0.30 H new ATOM 934 N ALA A 61 -6.142 1.134 -7.895 1.00 0.33 N ATOM 935 CA ALA A 61 -6.293 -0.312 -7.806 1.00 0.38 C ATOM 936 C ALA A 61 -7.648 -0.684 -7.214 1.00 0.43 C ATOM 937 O ALA A 61 -8.151 -1.786 -7.433 1.00 0.47 O ATOM 938 CB ALA A 61 -5.169 -0.909 -6.973 1.00 0.40 C ATOM 0 H ALA A 61 -5.507 1.535 -7.205 1.00 0.33 H new ATOM 0 HA ALA A 61 -6.240 -0.723 -8.814 1.00 0.38 H new ATOM 0 HB1 ALA A 61 -5.294 -1.990 -6.915 1.00 0.40 H new ATOM 0 HB2 ALA A 61 -4.210 -0.679 -7.438 1.00 0.40 H new ATOM 0 HB3 ALA A 61 -5.196 -0.486 -5.969 1.00 0.40 H new ATOM 944 N GLY A 62 -8.237 0.244 -6.463 1.00 0.45 N ATOM 945 CA GLY A 62 -9.529 -0.005 -5.853 1.00 0.50 C ATOM 946 C GLY A 62 -9.479 0.035 -4.337 1.00 0.52 C ATOM 947 O GLY A 62 -10.372 -0.485 -3.668 1.00 0.60 O ATOM 0 H GLY A 62 -7.841 1.163 -6.267 1.00 0.45 H new ATOM 0 HA2 GLY A 62 -10.243 0.738 -6.208 1.00 0.50 H new ATOM 0 HA3 GLY A 62 -9.896 -0.980 -6.175 1.00 0.50 H new ATOM 951 N GLN A 63 -8.434 0.652 -3.791 1.00 0.49 N ATOM 952 CA GLN A 63 -8.278 0.752 -2.346 1.00 0.52 C ATOM 953 C GLN A 63 -8.352 2.208 -1.892 1.00 0.53 C ATOM 954 O GLN A 63 -8.071 3.124 -2.663 1.00 0.85 O ATOM 955 CB GLN A 63 -6.946 0.131 -1.918 1.00 0.60 C ATOM 956 CG GLN A 63 -6.644 0.293 -0.438 1.00 0.86 C ATOM 957 CD GLN A 63 -5.557 -0.649 0.041 1.00 1.47 C ATOM 958 OE1 GLN A 63 -4.309 -0.204 -0.044 1.00 1.46 O flip ATOM 959 NE2 GLN A 63 -5.835 -1.764 0.483 1.00 2.51 N flip ATOM 0 H GLN A 63 -7.685 1.089 -4.328 1.00 0.49 H new ATOM 0 HA GLN A 63 -9.093 0.205 -1.873 1.00 0.52 H new ATOM 0 HB2 GLN A 63 -6.955 -0.931 -2.164 1.00 0.60 H new ATOM 0 HB3 GLN A 63 -6.141 0.585 -2.496 1.00 0.60 H new ATOM 0 HG2 GLN A 63 -6.340 1.322 -0.243 1.00 0.86 H new ATOM 0 HG3 GLN A 63 -7.553 0.115 0.136 1.00 0.86 H new ATOM 0 HE21 GLN A 63 -6.808 -2.066 0.530 1.00 2.51 H new ATOM 0 HE22 GLN A 63 -5.092 -2.386 0.802 1.00 2.51 H new ATOM 968 N GLU A 64 -8.733 2.412 -0.635 1.00 0.65 N ATOM 969 CA GLU A 64 -8.845 3.756 -0.079 1.00 0.68 C ATOM 970 C GLU A 64 -7.922 3.925 1.124 1.00 0.67 C ATOM 971 O GLU A 64 -7.780 3.017 1.943 1.00 1.09 O ATOM 972 CB GLU A 64 -10.291 4.044 0.329 1.00 0.75 C ATOM 973 CG GLU A 64 -11.157 4.545 -0.815 1.00 1.06 C ATOM 974 CD GLU A 64 -12.002 5.743 -0.426 1.00 1.90 C ATOM 975 OE1 GLU A 64 -11.485 6.628 0.286 1.00 2.53 O ATOM 976 OE2 GLU A 64 -13.182 5.795 -0.835 1.00 2.64 O ATOM 0 H GLU A 64 -8.969 1.664 0.017 1.00 0.65 H new ATOM 0 HA GLU A 64 -8.544 4.467 -0.849 1.00 0.68 H new ATOM 0 HB2 GLU A 64 -10.733 3.135 0.737 1.00 0.75 H new ATOM 0 HB3 GLU A 64 -10.294 4.786 1.128 1.00 0.75 H new ATOM 0 HG2 GLU A 64 -10.520 4.813 -1.658 1.00 1.06 H new ATOM 0 HG3 GLU A 64 -11.809 3.739 -1.152 1.00 1.06 H new ATOM 983 N VAL A 65 -7.296 5.093 1.224 1.00 0.71 N ATOM 984 CA VAL A 65 -6.387 5.380 2.327 1.00 0.70 C ATOM 985 C VAL A 65 -6.348 6.873 2.635 1.00 0.84 C ATOM 986 O VAL A 65 -6.061 7.690 1.761 1.00 1.09 O ATOM 987 CB VAL A 65 -4.959 4.894 2.016 1.00 0.84 C ATOM 988 CG1 VAL A 65 -4.065 5.038 3.238 1.00 1.42 C ATOM 989 CG2 VAL A 65 -4.981 3.453 1.530 1.00 1.44 C ATOM 0 H VAL A 65 -7.402 5.856 0.555 1.00 0.71 H new ATOM 0 HA VAL A 65 -6.766 4.843 3.197 1.00 0.70 H new ATOM 0 HB VAL A 65 -4.549 5.517 1.221 1.00 0.84 H new ATOM 0 HG11 VAL A 65 -3.061 4.689 2.997 1.00 1.42 H new ATOM 0 HG12 VAL A 65 -4.023 6.085 3.537 1.00 1.42 H new ATOM 0 HG13 VAL A 65 -4.469 4.443 4.057 1.00 1.42 H new ATOM 0 HG21 VAL A 65 -3.964 3.126 1.315 1.00 1.44 H new ATOM 0 HG22 VAL A 65 -5.412 2.815 2.302 1.00 1.44 H new ATOM 0 HG23 VAL A 65 -5.583 3.384 0.624 1.00 1.44 H new ATOM 999 N VAL A 66 -6.637 7.220 3.885 1.00 0.80 N ATOM 1000 CA VAL A 66 -6.636 8.611 4.313 1.00 0.99 C ATOM 1001 C VAL A 66 -5.283 9.005 4.896 1.00 0.96 C ATOM 1002 O VAL A 66 -4.619 9.884 4.308 1.00 1.55 O ATOM 1003 CB VAL A 66 -7.732 8.878 5.362 1.00 1.22 C ATOM 1004 CG1 VAL A 66 -9.077 9.096 4.688 1.00 1.70 C ATOM 1005 CG2 VAL A 66 -7.810 7.741 6.371 1.00 1.87 C ATOM 1006 OXT VAL A 66 -4.899 8.431 5.937 1.00 1.46 O ATOM 0 H VAL A 66 -6.875 6.554 4.620 1.00 0.80 H new ATOM 0 HA VAL A 66 -6.837 9.214 3.428 1.00 0.99 H new ATOM 0 HB VAL A 66 -7.469 9.787 5.902 1.00 1.22 H new ATOM 0 HG11 VAL A 66 -9.838 9.283 5.446 1.00 1.70 H new ATOM 0 HG12 VAL A 66 -9.014 9.954 4.018 1.00 1.70 H new ATOM 0 HG13 VAL A 66 -9.345 8.208 4.116 1.00 1.70 H new ATOM 0 HG21 VAL A 66 -8.591 7.955 7.100 1.00 1.87 H new ATOM 0 HG22 VAL A 66 -8.042 6.810 5.853 1.00 1.87 H new ATOM 0 HG23 VAL A 66 -6.853 7.643 6.883 1.00 1.87 H new TER 1016 VAL A 66 END