USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER ANTIFREEZE PROTEIN 08-JUL-96 1KDF TITLE NORTH-ATLANTIC OCEAN POUT ANTIFREEZE PROTEIN TYPE III TITLE 2 ISOFORM HPLC12 MUTANT, NMR, MINIMIZED AVERAGE STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: ANTIFREEZE PROTEIN; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: KDEL; COMPND 5 ENGINEERED: YES; COMPND 6 MUTATION: YES; COMPND 7 OTHER_DETAILS: TYPE III ISOFORM HPLC 12, QAE-COMPONENT SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: MACROZOARCES AMERICANUS; SOURCE 3 ORGANISM_COMMON: OCEAN POUT; SOURCE 4 ORGANISM_TAXID: 8199; SOURCE 5 VARIANT: HPLC-12; SOURCE 6 TISSUE: BLOOD; SOURCE 7 GENE: K38; SOURCE 8 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 9 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 0 EXPRESSION_SYSTEM_PLASMID: JM83; SOURCE 1 EXPRESSION_SYSTEM_GENE: K38 KEYWDS ICE BINDING PROTEIN, THERMAL HYSTERESIS PROTEIN, ANTIFREEZE KEYWDS 2 PROTEIN, GLYCOPROTEIN EXPDTA SOLUTION NMR AUTHOR F.D.SONNICHSEN,C.I.DELUCA,P.L.DAVIES,B.D.SYKES REVDAT 3 24-FEB-09 1KDF 1 VERSN REVDAT 2 01-APR-03 1KDF 1 JRNL REVDAT 1 21-APR-97 1KDF 0 JRNL AUTH F.D.SONNICHSEN,C.I.DELUCA,P.L.DAVIES,B.D.SYKES JRNL TITL REFINED SOLUTION STRUCTURE OF TYPE III ANTIFREEZE JRNL TITL 2 PROTEIN: HYDROPHOBIC GROUPS MAY BE INVOLVED IN THE JRNL TITL 3 ENERGETICS OF THE PROTEIN-ICE INTERACTION. JRNL REF STRUCTURE V. 4 1325 1996 JRNL REFN ISSN 0969-2126 JRNL PMID 8939756 JRNL DOI 10.1016/S0969-2126(96)00140-2 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH H.CHAO,F.D.SONNICHSEN,C.I.DELUCA,B.D.SYKES, REMARK 1 AUTH 2 P.L.DAVIES REMARK 1 TITL STRUCTURE-FUNCTION RELATIONSHIP IN THE GLOBULAR REMARK 1 TITL 2 TYPE III ANTIFREEZE PROTEIN: IDENTIFICATION OF A REMARK 1 TITL 3 CLUSTER OF SURFACE RESIDUES REQUIRED FOR BINDING REMARK 1 TITL 4 TO ICE REMARK 1 REF PROTEIN SCI. V. 3 1760 1994 REMARK 1 REFN ISSN 0961-8368 REMARK 1 REFERENCE 2 REMARK 1 AUTH F.D.SONNICHSEN,B.D.SYKES,H.CHAO,P.L.DAVIES REMARK 1 TITL THE NONHELICAL STRUCTURE OF ANTIFREEZE PROTEIN REMARK 1 TITL 2 TYPE III REMARK 1 REF SCIENCE V. 259 1154 1993 REMARK 1 REFN ISSN 0036-8075 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.1 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1KDF COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 7.6 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : DQCOSY, TOCSY, NOESY, 15N_ REMARK 210 TOCSY HMQC, 3D-HCCH-TOCSY HMQC REMARK 210 -J, 15N-NOESYHMQC, 3D-15N/13C- REMARK 210 NOESYHSQC REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : UNITY REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : X-PLOR 3.1 REMARK 210 METHOD USED : DG_SUB_EMBED, DGSA, REFINE REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 50 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : AVERAGE 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 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 465 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 RES C SSSEQI REMARK 465 MET A 0 REMARK 465 LYS A 66 REMARK 465 ASP A 67 REMARK 465 GLU A 68 REMARK 465 LEU A 69 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 MET A 21 30.82 -98.54 REMARK 500 LEU A 40 35.00 -98.28 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 ARG A 23 0.24 SIDE_CHAIN REMARK 500 ARG A 39 0.29 SIDE_CHAIN REMARK 500 ARG A 47 0.28 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: 1 REMARK 800 EVIDENCE_CODE: UNKNOWN REMARK 800 SITE_DESCRIPTION: ICE-BINDING RESIDUES. REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1KDE RELATED DB: PDB DBREF 1KDF A 1 65 UNP P19614 ANPC_MACAM 1 65 SEQADV 1KDF ALA A 64 UNP P19614 PRO 64 ENGINEERED SEQADV 1KDF ALA A 65 UNP P19614 PRO 65 ENGINEERED SEQRES 1 A 70 MET ASN GLN ALA SER VAL VAL ALA ASN GLN LEU ILE PRO SEQRES 2 A 70 ILE ASN THR ALA LEU THR LEU VAL MET MET ARG SER GLU SEQRES 3 A 70 VAL VAL THR PRO VAL GLY ILE PRO ALA GLU ASP ILE PRO SEQRES 4 A 70 ARG LEU VAL SER MET GLN VAL ASN ARG ALA VAL PRO LEU SEQRES 5 A 70 GLY THR THR LEU MET PRO ASP MET VAL LYS GLY TYR ALA SEQRES 6 A 70 ALA LYS ASP GLU LEU HELIX 1 1 LEU A 19 MET A 21 5 3 SHEET 1 A 2 SER A 4 VAL A 6 0 SHEET 2 A 2 ARG A 23 GLU A 25 -1 N GLU A 25 O SER A 4 CISPEP 1 THR A 28 PRO A 29 0 0.18 SITE *** 1 5 GLN A 9 ASN A 14 THR A 15 THR A 18 SITE *** 1 5 GLN 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 Set 1.1: A 18 THR OG1 : rot 170:sc= -2.02 USER MOD Set 1.2: A 21 MET CE :methyl 161:sc= -4.26 (180deg=-2.01) USER MOD Single : A 1 ASN : amide:sc= -0.0191 X(o=-0.019,f=-0.019) USER MOD Single : A 1 ASN N :NH3+ -173:sc= 0 (180deg=-0.0287) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.518 K(o=-0.52,f=-4) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 ASN : amide:sc= -0.0206 X(o=-0.021,f=-0.3) USER MOD Single : A 15 THR OG1 : rot 93:sc= -0.729 USER MOD Single : A 22 MET CE :methyl -120:sc= -3.75! (180deg=-4.99!) USER MOD Single : A 24 SER OG : rot 180:sc= -0.481 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.728 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -110:sc= -1.8 (180deg=-3.13) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 ASN : amide:sc= -1.2 K(o=-1.2,f=-8.5!) USER MOD Single : A 53 THR OG1 : rot 107:sc= 1.05 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0197 USER MOD Single : A 56 MET CE :methyl 180:sc= -0.175 (180deg=-0.175) USER MOD Single : A 59 MET CE :methyl 167:sc= -1.33 (180deg=-1.6) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= -0.0144 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -15.189 -11.394 -5.715 1.00 0.00 N ATOM 2 CA ASN A 1 -14.637 -10.165 -5.079 1.00 0.00 C ATOM 3 C ASN A 1 -13.113 -10.218 -5.110 1.00 0.00 C ATOM 4 O ASN A 1 -12.497 -11.126 -4.551 1.00 0.00 O ATOM 5 CB ASN A 1 -15.116 -10.081 -3.629 1.00 0.00 C ATOM 6 CG ASN A 1 -16.617 -9.815 -3.602 1.00 0.00 C ATOM 7 OD1 ASN A 1 -17.059 -8.693 -3.848 1.00 0.00 O ATOM 8 ND2 ASN A 1 -17.435 -10.791 -3.316 1.00 0.00 N ATOM 0 H1 ASN A 1 -16.222 -11.306 -5.802 1.00 0.00 H new ATOM 0 H2 ASN A 1 -14.771 -11.514 -6.660 1.00 0.00 H new ATOM 0 H3 ASN A 1 -14.960 -12.221 -5.128 1.00 0.00 H new ATOM 0 HA ASN A 1 -14.981 -9.287 -5.626 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -14.892 -11.011 -3.107 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -14.586 -9.285 -3.106 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -18.441 -10.624 -3.296 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -17.068 -11.721 -3.112 1.00 0.00 H new ATOM 9 N GLN A 2 -12.512 -9.232 -5.770 1.00 0.00 N ATOM 10 CA GLN A 2 -11.056 -9.172 -5.871 1.00 0.00 C ATOM 11 C GLN A 2 -10.488 -8.235 -4.810 1.00 0.00 C ATOM 12 O GLN A 2 -10.907 -7.084 -4.688 1.00 0.00 O ATOM 13 CB GLN A 2 -10.634 -8.674 -7.254 1.00 0.00 C ATOM 14 CG GLN A 2 -9.163 -9.018 -7.494 1.00 0.00 C ATOM 15 CD GLN A 2 -8.760 -8.578 -8.898 1.00 0.00 C ATOM 16 OE1 GLN A 2 -8.619 -7.385 -9.165 1.00 0.00 O ATOM 17 NE2 GLN A 2 -8.564 -9.480 -9.820 1.00 0.00 N ATOM 0 H GLN A 2 -13.004 -8.471 -6.238 1.00 0.00 H new ATOM 0 HA GLN A 2 -10.666 -10.178 -5.715 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -11.256 -9.133 -8.023 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -10.783 -7.597 -7.325 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -8.537 -8.522 -6.752 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -9.006 -10.090 -7.378 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -8.681 -10.469 -9.599 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -8.294 -9.196 -10.762 1.00 0.00 H new ATOM 18 N ALA A 3 -9.527 -8.742 -4.043 1.00 0.00 N ATOM 19 CA ALA A 3 -8.903 -7.944 -2.991 1.00 0.00 C ATOM 20 C ALA A 3 -7.765 -7.104 -3.563 1.00 0.00 C ATOM 21 O ALA A 3 -7.014 -7.556 -4.427 1.00 0.00 O ATOM 22 CB ALA A 3 -8.349 -8.849 -1.889 1.00 0.00 C ATOM 0 H ALA A 3 -9.166 -9.692 -4.128 1.00 0.00 H new ATOM 0 HA ALA A 3 -9.665 -7.287 -2.572 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -7.888 -8.237 -1.114 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -9.161 -9.433 -1.455 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -7.603 -9.522 -2.312 1.00 0.00 H new ATOM 23 N SER A 4 -7.647 -5.875 -3.069 1.00 0.00 N ATOM 24 CA SER A 4 -6.597 -4.974 -3.535 1.00 0.00 C ATOM 25 C SER A 4 -5.564 -4.746 -2.436 1.00 0.00 C ATOM 26 O SER A 4 -5.656 -5.318 -1.349 1.00 0.00 O ATOM 27 CB SER A 4 -7.190 -3.628 -3.949 1.00 0.00 C ATOM 28 OG SER A 4 -8.360 -3.849 -4.725 1.00 0.00 O ATOM 0 H SER A 4 -8.259 -5.483 -2.353 1.00 0.00 H new ATOM 0 HA SER A 4 -6.115 -5.437 -4.396 1.00 0.00 H new ATOM 0 HB2 SER A 4 -7.432 -3.037 -3.066 1.00 0.00 H new ATOM 0 HB3 SER A 4 -6.461 -3.058 -4.524 1.00 0.00 H new ATOM 0 HG SER A 4 -8.744 -2.987 -4.991 1.00 0.00 H new ATOM 29 N VAL A 5 -4.578 -3.904 -2.732 1.00 0.00 N ATOM 30 CA VAL A 5 -3.527 -3.604 -1.761 1.00 0.00 C ATOM 31 C VAL A 5 -3.830 -2.296 -1.038 1.00 0.00 C ATOM 32 O VAL A 5 -3.505 -1.213 -1.523 1.00 0.00 O ATOM 33 CB VAL A 5 -2.168 -3.481 -2.458 1.00 0.00 C ATOM 34 CG1 VAL A 5 -1.062 -3.384 -1.406 1.00 0.00 C ATOM 35 CG2 VAL A 5 -1.927 -4.714 -3.333 1.00 0.00 C ATOM 0 H VAL A 5 -4.483 -3.421 -3.626 1.00 0.00 H new ATOM 0 HA VAL A 5 -3.493 -4.422 -1.041 1.00 0.00 H new ATOM 0 HB VAL A 5 -2.161 -2.586 -3.080 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -0.095 -3.297 -1.902 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.230 -2.507 -0.781 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.071 -4.279 -0.785 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -0.960 -4.625 -3.828 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -1.935 -5.609 -2.711 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -2.714 -4.787 -4.084 1.00 0.00 H new ATOM 36 N VAL A 6 -4.456 -2.407 0.130 1.00 0.00 N ATOM 37 CA VAL A 6 -4.798 -1.222 0.913 1.00 0.00 C ATOM 38 C VAL A 6 -3.661 -0.867 1.867 1.00 0.00 C ATOM 39 O VAL A 6 -2.929 -1.738 2.338 1.00 0.00 O ATOM 40 CB VAL A 6 -6.077 -1.464 1.721 1.00 0.00 C ATOM 41 CG1 VAL A 6 -6.498 -0.171 2.427 1.00 0.00 C ATOM 42 CG2 VAL A 6 -7.195 -1.910 0.778 1.00 0.00 C ATOM 0 H VAL A 6 -4.734 -3.293 0.552 1.00 0.00 H new ATOM 0 HA VAL A 6 -4.960 -0.396 0.221 1.00 0.00 H new ATOM 0 HB VAL A 6 -5.891 -2.238 2.466 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -7.408 -0.349 3.000 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.703 0.152 3.099 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -6.683 0.605 1.685 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -8.106 -2.083 1.350 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -7.375 -1.134 0.035 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -6.901 -2.832 0.276 1.00 0.00 H new ATOM 43 N ALA A 7 -3.527 0.426 2.147 1.00 0.00 N ATOM 44 CA ALA A 7 -2.480 0.897 3.050 1.00 0.00 C ATOM 45 C ALA A 7 -2.754 0.420 4.473 1.00 0.00 C ATOM 46 O ALA A 7 -3.807 0.701 5.046 1.00 0.00 O ATOM 47 CB ALA A 7 -2.412 2.425 3.040 1.00 0.00 C ATOM 0 H ALA A 7 -4.124 1.161 1.766 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.529 0.491 2.706 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -1.627 2.759 3.718 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -2.192 2.773 2.031 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.369 2.834 3.364 1.00 0.00 H new ATOM 48 N ASN A 8 -1.795 -0.309 5.034 1.00 0.00 N ATOM 49 CA ASN A 8 -1.939 -0.827 6.392 1.00 0.00 C ATOM 50 C ASN A 8 -1.390 0.156 7.432 1.00 0.00 C ATOM 51 O ASN A 8 -1.629 -0.002 8.629 1.00 0.00 O ATOM 52 CB ASN A 8 -1.201 -2.159 6.533 1.00 0.00 C ATOM 53 CG ASN A 8 -1.777 -2.939 7.709 1.00 0.00 C ATOM 54 OD1 ASN A 8 -2.993 -3.098 7.821 1.00 0.00 O ATOM 55 ND2 ASN A 8 -0.969 -3.441 8.603 1.00 0.00 N ATOM 0 H ASN A 8 -0.917 -0.553 4.576 1.00 0.00 H new ATOM 0 HA ASN A 8 -3.005 -0.969 6.572 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -1.298 -2.739 5.616 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -0.136 -1.982 6.687 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -1.345 -3.965 9.394 1.00 0.00 H new ATOM 0 HD22 ASN A 8 0.038 -3.310 8.511 1.00 0.00 H new ATOM 56 N GLN A 9 -0.654 1.172 6.975 1.00 0.00 N ATOM 57 CA GLN A 9 -0.090 2.156 7.895 1.00 0.00 C ATOM 58 C GLN A 9 0.021 3.517 7.212 1.00 0.00 C ATOM 59 O GLN A 9 -0.241 3.652 6.016 1.00 0.00 O ATOM 60 CB GLN A 9 1.300 1.708 8.371 1.00 0.00 C ATOM 61 CG GLN A 9 1.409 1.874 9.890 1.00 0.00 C ATOM 62 CD GLN A 9 2.855 1.655 10.324 1.00 0.00 C ATOM 63 OE1 GLN A 9 3.181 0.630 10.922 1.00 0.00 O ATOM 64 NE2 GLN A 9 3.749 2.566 10.054 1.00 0.00 N ATOM 0 H GLN A 9 -0.439 1.332 5.991 1.00 0.00 H new ATOM 0 HA GLN A 9 -0.753 2.239 8.756 1.00 0.00 H new ATOM 0 HB2 GLN A 9 1.470 0.667 8.097 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.071 2.298 7.876 1.00 0.00 H new ATOM 0 HG2 GLN A 9 1.078 2.870 10.182 1.00 0.00 H new ATOM 0 HG3 GLN A 9 0.756 1.161 10.392 1.00 0.00 H new ATOM 0 HE21 GLN A 9 3.478 3.415 9.558 1.00 0.00 H new ATOM 0 HE22 GLN A 9 4.719 2.429 10.339 1.00 0.00 H new ATOM 65 N LEU A 10 0.409 4.525 7.988 1.00 0.00 N ATOM 66 CA LEU A 10 0.548 5.877 7.453 1.00 0.00 C ATOM 67 C LEU A 10 1.755 5.967 6.523 1.00 0.00 C ATOM 68 O LEU A 10 2.891 6.121 6.970 1.00 0.00 O ATOM 69 CB LEU A 10 0.719 6.889 8.588 1.00 0.00 C ATOM 70 CG LEU A 10 0.631 8.308 8.025 1.00 0.00 C ATOM 71 CD1 LEU A 10 -0.782 8.562 7.495 1.00 0.00 C ATOM 72 CD2 LEU A 10 0.946 9.316 9.132 1.00 0.00 C ATOM 0 H LEU A 10 0.631 4.434 8.979 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.358 6.108 6.893 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -0.052 6.738 9.343 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.680 6.741 9.080 1.00 0.00 H new ATOM 0 HG LEU A 10 1.350 8.420 7.213 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.844 9.574 7.094 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.009 7.845 6.707 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.501 8.449 8.307 1.00 0.00 H new ATOM 0 HD21 LEU A 10 0.883 10.328 8.731 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.227 9.202 9.943 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.952 9.137 9.511 1.00 0.00 H new ATOM 73 N ILE A 11 1.491 5.874 5.223 1.00 0.00 N ATOM 74 CA ILE A 11 2.556 5.950 4.228 1.00 0.00 C ATOM 75 C ILE A 11 2.737 7.403 3.759 1.00 0.00 C ATOM 76 O ILE A 11 1.862 7.944 3.082 1.00 0.00 O ATOM 77 CB ILE A 11 2.212 5.077 3.016 1.00 0.00 C ATOM 78 CG1 ILE A 11 1.893 3.653 3.482 1.00 0.00 C ATOM 79 CG2 ILE A 11 3.404 5.039 2.056 1.00 0.00 C ATOM 80 CD1 ILE A 11 0.988 2.972 2.454 1.00 0.00 C ATOM 0 H ILE A 11 0.556 5.747 4.836 1.00 0.00 H new ATOM 0 HA ILE A 11 3.479 5.593 4.685 1.00 0.00 H new ATOM 0 HB ILE A 11 1.345 5.497 2.506 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.814 3.084 3.605 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.402 3.678 4.455 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.158 4.418 1.195 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.633 6.050 1.720 1.00 0.00 H new ATOM 0 HG23 ILE A 11 4.271 4.622 2.568 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.760 1.959 2.784 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.062 3.538 2.353 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.496 2.934 1.490 1.00 0.00 H new ATOM 81 N PRO A 12 3.860 8.063 4.104 1.00 0.00 N ATOM 82 CA PRO A 12 4.093 9.460 3.688 1.00 0.00 C ATOM 83 C PRO A 12 4.624 9.570 2.261 1.00 0.00 C ATOM 84 O PRO A 12 4.999 8.573 1.643 1.00 0.00 O ATOM 85 CB PRO A 12 5.139 9.929 4.691 1.00 0.00 C ATOM 86 CG PRO A 12 5.860 8.687 5.201 1.00 0.00 C ATOM 87 CD PRO A 12 4.957 7.483 4.914 1.00 0.00 C ATOM 0 HA PRO A 12 3.177 10.052 3.682 1.00 0.00 H new ATOM 0 HB2 PRO A 12 5.842 10.617 4.221 1.00 0.00 H new ATOM 0 HB3 PRO A 12 4.669 10.467 5.514 1.00 0.00 H new ATOM 0 HG2 PRO A 12 6.823 8.571 4.704 1.00 0.00 H new ATOM 0 HG3 PRO A 12 6.060 8.771 6.269 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.489 6.702 4.370 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.583 7.033 5.834 1.00 0.00 H new ATOM 88 N ILE A 13 4.649 10.796 1.746 1.00 0.00 N ATOM 89 CA ILE A 13 5.134 11.035 0.390 1.00 0.00 C ATOM 90 C ILE A 13 6.662 10.957 0.349 1.00 0.00 C ATOM 91 O ILE A 13 7.336 11.171 1.357 1.00 0.00 O ATOM 92 CB ILE A 13 4.660 12.409 -0.112 1.00 0.00 C ATOM 93 CG1 ILE A 13 5.084 12.590 -1.574 1.00 0.00 C ATOM 94 CG2 ILE A 13 5.267 13.524 0.750 1.00 0.00 C ATOM 95 CD1 ILE A 13 4.538 13.915 -2.113 1.00 0.00 C ATOM 0 H ILE A 13 4.342 11.633 2.242 1.00 0.00 H new ATOM 0 HA ILE A 13 4.727 10.264 -0.264 1.00 0.00 H new ATOM 0 HB ILE A 13 3.574 12.463 -0.039 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.171 12.576 -1.651 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.711 11.761 -2.176 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.925 14.493 0.386 1.00 0.00 H new ATOM 0 HG22 ILE A 13 4.954 13.394 1.786 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.354 13.478 0.692 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.843 14.038 -3.152 1.00 0.00 H new ATOM 0 HD12 ILE A 13 3.450 13.912 -2.052 1.00 0.00 H new ATOM 0 HD13 ILE A 13 4.933 14.740 -1.519 1.00 0.00 H new ATOM 96 N ASN A 14 7.196 10.648 -0.830 1.00 0.00 N ATOM 97 CA ASN A 14 8.644 10.542 -1.002 1.00 0.00 C ATOM 98 C ASN A 14 9.215 9.463 -0.085 1.00 0.00 C ATOM 99 O ASN A 14 10.339 9.575 0.406 1.00 0.00 O ATOM 100 CB ASN A 14 9.323 11.877 -0.687 1.00 0.00 C ATOM 101 CG ASN A 14 9.074 12.857 -1.828 1.00 0.00 C ATOM 102 OD1 ASN A 14 9.316 12.538 -2.993 1.00 0.00 O ATOM 103 ND2 ASN A 14 8.598 14.043 -1.562 1.00 0.00 N ATOM 0 H ASN A 14 6.654 10.468 -1.675 1.00 0.00 H new ATOM 0 HA ASN A 14 8.838 10.274 -2.041 1.00 0.00 H new ATOM 0 HB2 ASN A 14 8.934 12.283 0.247 1.00 0.00 H new ATOM 0 HB3 ASN A 14 10.394 11.728 -0.548 1.00 0.00 H new ATOM 0 HD21 ASN A 14 8.427 14.705 -2.319 1.00 0.00 H new ATOM 0 HD22 ASN A 14 8.397 14.308 -0.598 1.00 0.00 H new ATOM 104 N THR A 15 8.426 8.416 0.138 1.00 0.00 N ATOM 105 CA THR A 15 8.859 7.318 0.997 1.00 0.00 C ATOM 106 C THR A 15 8.592 5.977 0.322 1.00 0.00 C ATOM 107 O THR A 15 7.707 5.857 -0.525 1.00 0.00 O ATOM 108 CB THR A 15 8.117 7.359 2.335 1.00 0.00 C ATOM 109 OG1 THR A 15 8.149 8.682 2.851 1.00 0.00 O ATOM 110 CG2 THR A 15 8.790 6.407 3.324 1.00 0.00 C ATOM 0 H THR A 15 7.493 8.305 -0.259 1.00 0.00 H new ATOM 0 HA THR A 15 9.929 7.430 1.172 1.00 0.00 H new ATOM 0 HB THR A 15 7.082 7.051 2.186 1.00 0.00 H new ATOM 0 HG1 THR A 15 7.342 9.162 2.570 1.00 0.00 H new ATOM 0 HG21 THR A 15 8.260 6.437 4.276 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.765 5.392 2.927 1.00 0.00 H new ATOM 0 HG23 THR A 15 9.826 6.712 3.475 1.00 0.00 H new ATOM 111 N ALA A 16 9.368 4.968 0.708 1.00 0.00 N ATOM 112 CA ALA A 16 9.208 3.635 0.135 1.00 0.00 C ATOM 113 C ALA A 16 8.190 2.830 0.936 1.00 0.00 C ATOM 114 O ALA A 16 8.032 3.026 2.141 1.00 0.00 O ATOM 115 CB ALA A 16 10.543 2.888 0.132 1.00 0.00 C ATOM 0 H ALA A 16 10.106 5.046 1.408 1.00 0.00 H new ATOM 0 HA ALA A 16 8.856 3.750 -0.890 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.404 1.896 -0.299 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.269 3.443 -0.462 1.00 0.00 H new ATOM 0 HB3 ALA A 16 10.908 2.792 1.154 1.00 0.00 H new ATOM 116 N LEU A 17 7.502 1.921 0.252 1.00 0.00 N ATOM 117 CA LEU A 17 6.499 1.087 0.907 1.00 0.00 C ATOM 118 C LEU A 17 7.161 -0.109 1.582 1.00 0.00 C ATOM 119 O LEU A 17 8.334 -0.401 1.350 1.00 0.00 O ATOM 120 CB LEU A 17 5.474 0.580 -0.110 1.00 0.00 C ATOM 121 CG LEU A 17 4.728 1.768 -0.719 1.00 0.00 C ATOM 122 CD1 LEU A 17 3.971 1.310 -1.967 1.00 0.00 C ATOM 123 CD2 LEU A 17 3.734 2.323 0.304 1.00 0.00 C ATOM 0 H LEU A 17 7.618 1.744 -0.746 1.00 0.00 H new ATOM 0 HA LEU A 17 5.994 1.696 1.657 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.974 0.011 -0.894 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.769 -0.096 0.374 1.00 0.00 H new ATOM 0 HG LEU A 17 5.442 2.545 -0.992 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.439 2.157 -2.401 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.678 0.913 -2.696 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.256 0.534 -1.694 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.201 3.170 -0.129 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.020 1.546 0.576 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.272 2.649 1.194 1.00 0.00 H new ATOM 124 N THR A 18 6.394 -0.799 2.421 1.00 0.00 N ATOM 125 CA THR A 18 6.913 -1.966 3.128 1.00 0.00 C ATOM 126 C THR A 18 5.793 -2.967 3.393 1.00 0.00 C ATOM 127 O THR A 18 4.614 -2.662 3.217 1.00 0.00 O ATOM 128 CB THR A 18 7.537 -1.551 4.463 1.00 0.00 C ATOM 129 OG1 THR A 18 6.603 -0.773 5.199 1.00 0.00 O ATOM 130 CG2 THR A 18 8.799 -0.726 4.205 1.00 0.00 C ATOM 0 H THR A 18 5.421 -0.574 2.627 1.00 0.00 H new ATOM 0 HA THR A 18 7.675 -2.429 2.501 1.00 0.00 H new ATOM 0 HB THR A 18 7.799 -2.442 5.034 1.00 0.00 H new ATOM 0 HG1 THR A 18 6.934 -0.643 6.112 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.242 -0.431 5.156 1.00 0.00 H new ATOM 0 HG22 THR A 18 9.515 -1.323 3.641 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.540 0.166 3.634 1.00 0.00 H new ATOM 131 N LEU A 19 6.176 -4.167 3.821 1.00 0.00 N ATOM 132 CA LEU A 19 5.195 -5.210 4.110 1.00 0.00 C ATOM 133 C LEU A 19 4.267 -4.769 5.237 1.00 0.00 C ATOM 134 O LEU A 19 3.090 -5.129 5.270 1.00 0.00 O ATOM 135 CB LEU A 19 5.897 -6.507 4.521 1.00 0.00 C ATOM 136 CG LEU A 19 6.445 -7.208 3.277 1.00 0.00 C ATOM 137 CD1 LEU A 19 7.766 -6.557 2.864 1.00 0.00 C ATOM 138 CD2 LEU A 19 6.683 -8.687 3.590 1.00 0.00 C ATOM 0 H LEU A 19 7.147 -4.440 3.974 1.00 0.00 H new ATOM 0 HA LEU A 19 4.612 -5.384 3.206 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.708 -6.289 5.216 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.198 -7.162 5.042 1.00 0.00 H new ATOM 0 HG LEU A 19 5.726 -7.118 2.463 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.156 -7.057 1.977 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.599 -5.503 2.642 1.00 0.00 H new ATOM 0 HD13 LEU A 19 8.486 -6.647 3.678 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.074 -9.188 2.704 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.403 -8.775 4.404 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.743 -9.152 3.885 1.00 0.00 H new ATOM 139 N VAL A 20 4.811 -3.983 6.162 1.00 0.00 N ATOM 140 CA VAL A 20 4.026 -3.492 7.292 1.00 0.00 C ATOM 141 C VAL A 20 2.996 -2.464 6.827 1.00 0.00 C ATOM 142 O VAL A 20 1.940 -2.305 7.439 1.00 0.00 O ATOM 143 CB VAL A 20 4.938 -2.846 8.340 1.00 0.00 C ATOM 144 CG1 VAL A 20 4.126 -2.523 9.597 1.00 0.00 C ATOM 145 CG2 VAL A 20 6.067 -3.815 8.703 1.00 0.00 C ATOM 0 H VAL A 20 5.783 -3.674 6.153 1.00 0.00 H new ATOM 0 HA VAL A 20 3.511 -4.344 7.735 1.00 0.00 H new ATOM 0 HB VAL A 20 5.361 -1.928 7.933 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.776 -2.064 10.342 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.321 -1.833 9.343 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.702 -3.442 10.003 1.00 0.00 H new ATOM 0 HG21 VAL A 20 6.716 -3.355 9.449 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.642 -4.733 9.109 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.648 -4.047 7.811 1.00 0.00 H new ATOM 146 N MET A 21 3.314 -1.763 5.739 1.00 0.00 N ATOM 147 CA MET A 21 2.405 -0.750 5.206 1.00 0.00 C ATOM 148 C MET A 21 1.591 -1.311 4.043 1.00 0.00 C ATOM 149 O MET A 21 1.214 -0.583 3.124 1.00 0.00 O ATOM 150 CB MET A 21 3.190 0.470 4.717 1.00 0.00 C ATOM 151 CG MET A 21 3.970 1.078 5.884 1.00 0.00 C ATOM 152 SD MET A 21 4.767 2.611 5.345 1.00 0.00 S ATOM 153 CE MET A 21 6.162 1.849 4.481 1.00 0.00 C ATOM 0 H MET A 21 4.182 -1.876 5.216 1.00 0.00 H new ATOM 0 HA MET A 21 1.731 -0.454 6.010 1.00 0.00 H new ATOM 0 HB2 MET A 21 3.875 0.179 3.920 1.00 0.00 H new ATOM 0 HB3 MET A 21 2.508 1.210 4.297 1.00 0.00 H new ATOM 0 HG2 MET A 21 3.298 1.279 6.719 1.00 0.00 H new ATOM 0 HG3 MET A 21 4.720 0.372 6.241 1.00 0.00 H new ATOM 0 HE1 MET A 21 6.601 2.570 3.791 1.00 0.00 H new ATOM 0 HE2 MET A 21 6.913 1.538 5.207 1.00 0.00 H new ATOM 0 HE3 MET A 21 5.814 0.979 3.924 1.00 0.00 H new ATOM 154 N MET A 22 1.320 -2.613 4.092 1.00 0.00 N ATOM 155 CA MET A 22 0.545 -3.259 3.035 1.00 0.00 C ATOM 156 C MET A 22 -0.251 -4.432 3.599 1.00 0.00 C ATOM 157 O MET A 22 0.210 -5.141 4.494 1.00 0.00 O ATOM 158 CB MET A 22 1.466 -3.770 1.925 1.00 0.00 C ATOM 159 CG MET A 22 2.082 -2.582 1.183 1.00 0.00 C ATOM 160 SD MET A 22 2.399 -3.040 -0.540 1.00 0.00 S ATOM 161 CE MET A 22 3.451 -4.475 -0.210 1.00 0.00 C ATOM 0 H MET A 22 1.621 -3.235 4.842 1.00 0.00 H new ATOM 0 HA MET A 22 -0.140 -2.518 2.623 1.00 0.00 H new ATOM 0 HB2 MET A 22 2.252 -4.394 2.349 1.00 0.00 H new ATOM 0 HB3 MET A 22 0.904 -4.394 1.230 1.00 0.00 H new ATOM 0 HG2 MET A 22 1.409 -1.726 1.224 1.00 0.00 H new ATOM 0 HG3 MET A 22 3.011 -2.280 1.667 1.00 0.00 H new ATOM 0 HE1 MET A 22 4.433 -4.317 -0.656 1.00 0.00 H new ATOM 0 HE2 MET A 22 3.559 -4.607 0.867 1.00 0.00 H new ATOM 0 HE3 MET A 22 2.996 -5.367 -0.641 1.00 0.00 H new ATOM 162 N ARG A 23 -1.452 -4.627 3.064 1.00 0.00 N ATOM 163 CA ARG A 23 -2.310 -5.718 3.518 1.00 0.00 C ATOM 164 C ARG A 23 -3.363 -6.042 2.463 1.00 0.00 C ATOM 165 O ARG A 23 -3.660 -5.226 1.590 1.00 0.00 O ATOM 166 CB ARG A 23 -3.013 -5.341 4.824 1.00 0.00 C ATOM 167 CG ARG A 23 -3.761 -4.019 4.639 1.00 0.00 C ATOM 168 CD ARG A 23 -4.905 -3.935 5.652 1.00 0.00 C ATOM 169 NE ARG A 23 -5.337 -2.551 5.826 1.00 0.00 N ATOM 170 CZ ARG A 23 -6.060 -2.188 6.882 1.00 0.00 C ATOM 171 NH1 ARG A 23 -7.147 -2.842 7.185 1.00 0.00 N ATOM 172 NH2 ARG A 23 -5.681 -1.177 7.615 1.00 0.00 N ATOM 0 H ARG A 23 -1.851 -4.051 2.323 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.681 -6.592 3.685 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.710 -6.127 5.114 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.283 -5.249 5.628 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -3.078 -3.180 4.775 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -4.153 -3.950 3.624 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -5.743 -4.543 5.313 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -4.581 -4.344 6.609 1.00 0.00 H new ATOM 0 HE ARG A 23 -5.081 -1.853 5.128 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -7.443 -3.632 6.612 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -7.701 -2.563 7.995 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -4.831 -0.666 7.378 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -6.235 -0.898 8.425 1.00 0.00 H new ATOM 173 N SER A 24 -3.924 -7.244 2.553 1.00 0.00 N ATOM 174 CA SER A 24 -4.945 -7.671 1.600 1.00 0.00 C ATOM 175 C SER A 24 -6.339 -7.390 2.153 1.00 0.00 C ATOM 176 O SER A 24 -6.771 -8.006 3.127 1.00 0.00 O ATOM 177 CB SER A 24 -4.816 -9.167 1.311 1.00 0.00 C ATOM 178 OG SER A 24 -3.506 -9.441 0.833 1.00 0.00 O ATOM 0 H SER A 24 -3.693 -7.934 3.268 1.00 0.00 H new ATOM 0 HA SER A 24 -4.799 -7.110 0.677 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.013 -9.742 2.216 1.00 0.00 H new ATOM 0 HB3 SER A 24 -5.557 -9.472 0.572 1.00 0.00 H new ATOM 0 HG SER A 24 -3.419 -10.399 0.648 1.00 0.00 H new ATOM 179 N GLU A 25 -7.038 -6.452 1.519 1.00 0.00 N ATOM 180 CA GLU A 25 -8.385 -6.094 1.956 1.00 0.00 C ATOM 181 C GLU A 25 -9.237 -5.669 0.764 1.00 0.00 C ATOM 182 O GLU A 25 -8.729 -5.144 -0.226 1.00 0.00 O ATOM 183 CB GLU A 25 -8.335 -4.946 2.966 1.00 0.00 C ATOM 184 CG GLU A 25 -9.701 -4.797 3.638 1.00 0.00 C ATOM 185 CD GLU A 25 -9.630 -3.703 4.698 1.00 0.00 C ATOM 186 OE1 GLU A 25 -9.478 -2.552 4.324 1.00 0.00 O ATOM 187 OE2 GLU A 25 -9.730 -4.032 5.868 1.00 0.00 O ATOM 0 H GLU A 25 -6.699 -5.931 0.710 1.00 0.00 H new ATOM 0 HA GLU A 25 -8.829 -6.971 2.426 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.568 -5.141 3.716 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.062 -4.018 2.464 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.459 -4.549 2.895 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.999 -5.741 4.094 1.00 0.00 H new ATOM 188 N VAL A 26 -10.542 -5.904 0.872 1.00 0.00 N ATOM 189 CA VAL A 26 -11.464 -5.542 -0.203 1.00 0.00 C ATOM 190 C VAL A 26 -11.788 -4.052 -0.145 1.00 0.00 C ATOM 191 O VAL A 26 -12.123 -3.515 0.911 1.00 0.00 O ATOM 192 CB VAL A 26 -12.765 -6.341 -0.088 1.00 0.00 C ATOM 193 CG1 VAL A 26 -13.630 -6.093 -1.326 1.00 0.00 C ATOM 194 CG2 VAL A 26 -12.441 -7.834 0.012 1.00 0.00 C ATOM 0 H VAL A 26 -10.982 -6.339 1.683 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.981 -5.774 -1.152 1.00 0.00 H new ATOM 0 HB VAL A 26 -13.305 -6.024 0.804 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -14.556 -6.662 -1.243 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -13.863 -5.031 -1.400 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -13.088 -6.409 -2.218 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -13.367 -8.403 0.094 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.899 -8.149 -0.880 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -11.825 -8.014 0.893 1.00 0.00 H new ATOM 195 N VAL A 27 -11.685 -3.392 -1.296 1.00 0.00 N ATOM 196 CA VAL A 27 -11.970 -1.961 -1.372 1.00 0.00 C ATOM 197 C VAL A 27 -12.372 -1.574 -2.792 1.00 0.00 C ATOM 198 O VAL A 27 -12.337 -2.395 -3.708 1.00 0.00 O ATOM 199 CB VAL A 27 -10.741 -1.148 -0.964 1.00 0.00 C ATOM 200 CG1 VAL A 27 -10.435 -1.389 0.515 1.00 0.00 C ATOM 201 CG2 VAL A 27 -9.540 -1.581 -1.807 1.00 0.00 C ATOM 0 H VAL A 27 -11.409 -3.819 -2.180 1.00 0.00 H new ATOM 0 HA VAL A 27 -12.791 -1.744 -0.689 1.00 0.00 H new ATOM 0 HB VAL A 27 -10.939 -0.088 -1.127 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -9.559 -0.809 0.804 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -11.289 -1.081 1.118 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -10.239 -2.449 0.678 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -8.664 -1.002 -1.516 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.345 -2.641 -1.644 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -9.755 -1.409 -2.862 1.00 0.00 H new ATOM 202 N THR A 28 -12.753 -0.311 -2.963 1.00 0.00 N ATOM 203 CA THR A 28 -13.159 0.179 -4.277 1.00 0.00 C ATOM 204 C THR A 28 -12.490 1.528 -4.573 1.00 0.00 C ATOM 205 O THR A 28 -12.292 2.334 -3.664 1.00 0.00 O ATOM 206 CB THR A 28 -14.680 0.350 -4.337 1.00 0.00 C ATOM 207 OG1 THR A 28 -15.044 0.924 -5.586 1.00 0.00 O ATOM 208 CG2 THR A 28 -15.140 1.262 -3.198 1.00 0.00 C ATOM 0 H THR A 28 -12.789 0.385 -2.218 1.00 0.00 H new ATOM 0 HA THR A 28 -12.848 -0.552 -5.023 1.00 0.00 H new ATOM 0 HB THR A 28 -15.158 -0.624 -4.233 1.00 0.00 H new ATOM 0 HG1 THR A 28 -16.017 1.032 -5.625 1.00 0.00 H new ATOM 0 HG21 THR A 28 -16.222 1.382 -3.243 1.00 0.00 H new ATOM 0 HG22 THR A 28 -14.863 0.818 -2.242 1.00 0.00 H new ATOM 0 HG23 THR A 28 -14.662 2.237 -3.297 1.00 0.00 H new ATOM 209 N PRO A 29 -12.129 1.797 -5.842 1.00 0.00 N ATOM 210 CA PRO A 29 -12.340 0.872 -6.979 1.00 0.00 C ATOM 211 C PRO A 29 -11.268 -0.213 -7.056 1.00 0.00 C ATOM 212 O PRO A 29 -10.246 -0.147 -6.373 1.00 0.00 O ATOM 213 CB PRO A 29 -12.253 1.806 -8.179 1.00 0.00 C ATOM 214 CG PRO A 29 -11.440 3.019 -7.742 1.00 0.00 C ATOM 215 CD PRO A 29 -11.477 3.069 -6.210 1.00 0.00 C ATOM 0 HA PRO A 29 -13.279 0.323 -6.906 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -11.777 1.306 -9.023 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -13.248 2.107 -8.507 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -10.413 2.941 -8.099 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -11.856 3.933 -8.166 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -10.476 3.145 -5.786 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -12.042 3.929 -5.850 1.00 0.00 H new ATOM 216 N VAL A 30 -11.517 -1.214 -7.895 1.00 0.00 N ATOM 217 CA VAL A 30 -10.569 -2.315 -8.055 1.00 0.00 C ATOM 218 C VAL A 30 -9.248 -1.804 -8.623 1.00 0.00 C ATOM 219 O VAL A 30 -9.133 -1.528 -9.817 1.00 0.00 O ATOM 220 CB VAL A 30 -11.138 -3.382 -8.995 1.00 0.00 C ATOM 221 CG1 VAL A 30 -10.222 -4.608 -8.993 1.00 0.00 C ATOM 222 CG2 VAL A 30 -12.534 -3.793 -8.516 1.00 0.00 C ATOM 0 H VAL A 30 -12.357 -1.287 -8.469 1.00 0.00 H new ATOM 0 HA VAL A 30 -10.396 -2.754 -7.072 1.00 0.00 H new ATOM 0 HB VAL A 30 -11.202 -2.976 -10.005 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -10.628 -5.367 -9.662 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -9.227 -4.319 -9.332 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -10.158 -5.012 -7.983 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -12.939 -4.552 -9.185 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -12.468 -4.197 -7.506 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -13.190 -2.922 -8.516 1.00 0.00 H new ATOM 223 N GLY A 31 -8.251 -1.686 -7.750 1.00 0.00 N ATOM 224 CA GLY A 31 -6.935 -1.213 -8.170 1.00 0.00 C ATOM 225 C GLY A 31 -5.959 -2.378 -8.285 1.00 0.00 C ATOM 226 O GLY A 31 -6.256 -3.396 -8.910 1.00 0.00 O ATOM 0 H GLY A 31 -8.327 -1.909 -6.758 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -7.015 -0.702 -9.130 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.558 -0.485 -7.452 1.00 0.00 H new ATOM 227 N ILE A 32 -4.790 -2.221 -7.669 1.00 0.00 N ATOM 228 CA ILE A 32 -3.778 -3.272 -7.704 1.00 0.00 C ATOM 229 C ILE A 32 -4.219 -4.451 -6.825 1.00 0.00 C ATOM 230 O ILE A 32 -4.757 -4.242 -5.738 1.00 0.00 O ATOM 231 CB ILE A 32 -2.436 -2.736 -7.193 1.00 0.00 C ATOM 232 CG1 ILE A 32 -2.055 -1.483 -7.987 1.00 0.00 C ATOM 233 CG2 ILE A 32 -1.352 -3.801 -7.373 1.00 0.00 C ATOM 234 CD1 ILE A 32 -0.861 -0.797 -7.320 1.00 0.00 C ATOM 0 H ILE A 32 -4.522 -1.387 -7.146 1.00 0.00 H new ATOM 0 HA ILE A 32 -3.661 -3.607 -8.735 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.525 -2.488 -6.135 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.806 -1.752 -9.013 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.902 -0.798 -8.034 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.400 -3.416 -7.009 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.622 -4.694 -6.809 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.261 -4.053 -8.430 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.591 0.095 -7.886 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.127 -0.514 -6.302 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.014 -1.483 -7.297 1.00 0.00 H new ATOM 235 N PRO A 33 -4.005 -5.704 -7.270 1.00 0.00 N ATOM 236 CA PRO A 33 -4.406 -6.882 -6.479 1.00 0.00 C ATOM 237 C PRO A 33 -3.403 -7.218 -5.378 1.00 0.00 C ATOM 238 O PRO A 33 -2.340 -6.605 -5.278 1.00 0.00 O ATOM 239 CB PRO A 33 -4.450 -7.984 -7.530 1.00 0.00 C ATOM 240 CG PRO A 33 -3.537 -7.551 -8.671 1.00 0.00 C ATOM 241 CD PRO A 33 -3.362 -6.032 -8.565 1.00 0.00 C ATOM 0 HA PRO A 33 -5.347 -6.731 -5.951 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -4.116 -8.932 -7.108 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -5.469 -8.135 -7.888 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -2.573 -8.054 -8.603 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -3.971 -7.821 -9.634 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -2.310 -5.747 -8.575 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -3.841 -5.513 -9.395 1.00 0.00 H new ATOM 242 N ALA A 34 -3.755 -8.201 -4.552 1.00 0.00 N ATOM 243 CA ALA A 34 -2.880 -8.614 -3.455 1.00 0.00 C ATOM 244 C ALA A 34 -1.926 -9.732 -3.886 1.00 0.00 C ATOM 245 O ALA A 34 -1.353 -10.425 -3.045 1.00 0.00 O ATOM 246 CB ALA A 34 -3.714 -9.106 -2.270 1.00 0.00 C ATOM 0 H ALA A 34 -4.629 -8.722 -4.619 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.291 -7.744 -3.164 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.051 -9.411 -1.460 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.364 -8.302 -1.924 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -4.322 -9.956 -2.581 1.00 0.00 H new ATOM 247 N GLU A 35 -1.754 -9.909 -5.196 1.00 0.00 N ATOM 248 CA GLU A 35 -0.863 -10.949 -5.700 1.00 0.00 C ATOM 249 C GLU A 35 0.555 -10.407 -5.879 1.00 0.00 C ATOM 250 O GLU A 35 1.531 -11.154 -5.806 1.00 0.00 O ATOM 251 CB GLU A 35 -1.366 -11.479 -7.044 1.00 0.00 C ATOM 252 CG GLU A 35 -2.628 -12.315 -6.823 1.00 0.00 C ATOM 253 CD GLU A 35 -3.026 -12.992 -8.130 1.00 0.00 C ATOM 254 OE1 GLU A 35 -2.411 -13.990 -8.467 1.00 0.00 O ATOM 255 OE2 GLU A 35 -3.939 -12.503 -8.774 1.00 0.00 O ATOM 0 H GLU A 35 -2.214 -9.353 -5.917 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.850 -11.758 -4.970 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.580 -10.649 -7.717 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.595 -12.084 -7.520 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.450 -13.065 -6.052 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.440 -11.680 -6.468 1.00 0.00 H new ATOM 256 N ASP A 36 0.660 -9.102 -6.125 1.00 0.00 N ATOM 257 CA ASP A 36 1.966 -8.479 -6.323 1.00 0.00 C ATOM 258 C ASP A 36 2.421 -7.744 -5.064 1.00 0.00 C ATOM 259 O ASP A 36 3.151 -6.757 -5.138 1.00 0.00 O ATOM 260 CB ASP A 36 1.911 -7.484 -7.484 1.00 0.00 C ATOM 261 CG ASP A 36 1.538 -8.219 -8.766 1.00 0.00 C ATOM 262 OD1 ASP A 36 2.265 -9.125 -9.140 1.00 0.00 O ATOM 263 OD2 ASP A 36 0.530 -7.866 -9.356 1.00 0.00 O ATOM 0 H ASP A 36 -0.133 -8.463 -6.191 1.00 0.00 H new ATOM 0 HA ASP A 36 2.678 -9.273 -6.549 1.00 0.00 H new ATOM 0 HB2 ASP A 36 1.180 -6.704 -7.274 1.00 0.00 H new ATOM 0 HB3 ASP A 36 2.877 -6.993 -7.602 1.00 0.00 H new ATOM 264 N ILE A 37 1.991 -8.238 -3.906 1.00 0.00 N ATOM 265 CA ILE A 37 2.372 -7.619 -2.637 1.00 0.00 C ATOM 266 C ILE A 37 3.905 -7.588 -2.471 1.00 0.00 C ATOM 267 O ILE A 37 4.458 -6.547 -2.116 1.00 0.00 O ATOM 268 CB ILE A 37 1.726 -8.358 -1.456 1.00 0.00 C ATOM 269 CG1 ILE A 37 0.205 -8.316 -1.617 1.00 0.00 C ATOM 270 CG2 ILE A 37 2.105 -7.682 -0.133 1.00 0.00 C ATOM 271 CD1 ILE A 37 -0.437 -9.352 -0.693 1.00 0.00 C ATOM 0 H ILE A 37 1.386 -9.055 -3.818 1.00 0.00 H new ATOM 0 HA ILE A 37 2.009 -6.591 -2.647 1.00 0.00 H new ATOM 0 HB ILE A 37 2.080 -9.389 -1.444 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.169 -7.320 -1.379 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.067 -8.519 -2.653 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.640 -8.217 0.695 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.188 -7.699 -0.013 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.757 -6.649 -0.139 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.520 -9.321 -0.809 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.073 -10.346 -0.952 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.176 -9.128 0.341 1.00 0.00 H new ATOM 272 N PRO A 38 4.621 -8.702 -2.724 1.00 0.00 N ATOM 273 CA PRO A 38 6.092 -8.711 -2.585 1.00 0.00 C ATOM 274 C PRO A 38 6.802 -7.995 -3.736 1.00 0.00 C ATOM 275 O PRO A 38 7.967 -7.614 -3.620 1.00 0.00 O ATOM 276 CB PRO A 38 6.419 -10.198 -2.581 1.00 0.00 C ATOM 277 CG PRO A 38 5.271 -10.905 -3.284 1.00 0.00 C ATOM 278 CD PRO A 38 4.044 -10.000 -3.161 1.00 0.00 C ATOM 0 HA PRO A 38 6.427 -8.180 -1.694 1.00 0.00 H new ATOM 0 HB2 PRO A 38 7.362 -10.387 -3.095 1.00 0.00 H new ATOM 0 HB3 PRO A 38 6.532 -10.566 -1.561 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.513 -11.086 -4.331 1.00 0.00 H new ATOM 0 HG3 PRO A 38 5.080 -11.877 -2.829 1.00 0.00 H new ATOM 0 HD2 PRO A 38 3.516 -9.907 -4.110 1.00 0.00 H new ATOM 0 HD3 PRO A 38 3.329 -10.388 -2.435 1.00 0.00 H new ATOM 279 N ARG A 39 6.087 -7.809 -4.845 1.00 0.00 N ATOM 280 CA ARG A 39 6.662 -7.130 -6.004 1.00 0.00 C ATOM 281 C ARG A 39 6.635 -5.614 -5.811 1.00 0.00 C ATOM 282 O ARG A 39 7.446 -4.889 -6.387 1.00 0.00 O ATOM 283 CB ARG A 39 5.883 -7.484 -7.272 1.00 0.00 C ATOM 284 CG ARG A 39 6.261 -8.896 -7.726 1.00 0.00 C ATOM 285 CD ARG A 39 5.771 -9.120 -9.157 1.00 0.00 C ATOM 286 NE ARG A 39 5.848 -10.535 -9.512 1.00 0.00 N ATOM 287 CZ ARG A 39 5.822 -10.924 -10.783 1.00 0.00 C ATOM 288 NH1 ARG A 39 6.843 -10.687 -11.559 1.00 0.00 N ATOM 289 NH2 ARG A 39 4.775 -11.545 -11.254 1.00 0.00 N ATOM 0 H ARG A 39 5.121 -8.115 -4.965 1.00 0.00 H new ATOM 0 HA ARG A 39 7.695 -7.462 -6.106 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.811 -7.427 -7.081 1.00 0.00 H new ATOM 0 HB3 ARG A 39 6.105 -6.765 -8.061 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.342 -9.029 -7.675 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.818 -9.635 -7.059 1.00 0.00 H new ATOM 0 HD2 ARG A 39 4.743 -8.771 -9.254 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.374 -8.533 -9.850 1.00 0.00 H new ATOM 0 HE ARG A 39 5.923 -11.235 -8.774 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.662 -10.203 -11.191 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.823 -10.986 -12.534 1.00 0.00 H new ATOM 0 HH21 ARG A 39 3.977 -11.732 -10.647 1.00 0.00 H new ATOM 0 HH22 ARG A 39 4.755 -11.843 -12.229 1.00 0.00 H new ATOM 290 N LEU A 40 5.693 -5.139 -4.994 1.00 0.00 N ATOM 291 CA LEU A 40 5.572 -3.706 -4.736 1.00 0.00 C ATOM 292 C LEU A 40 6.256 -3.337 -3.421 1.00 0.00 C ATOM 293 O LEU A 40 5.801 -2.454 -2.693 1.00 0.00 O ATOM 294 CB LEU A 40 4.098 -3.299 -4.659 1.00 0.00 C ATOM 295 CG LEU A 40 3.540 -3.116 -6.072 1.00 0.00 C ATOM 296 CD1 LEU A 40 2.874 -4.415 -6.531 1.00 0.00 C ATOM 297 CD2 LEU A 40 2.505 -1.989 -6.069 1.00 0.00 C ATOM 0 H LEU A 40 5.011 -5.719 -4.505 1.00 0.00 H new ATOM 0 HA LEU A 40 6.055 -3.177 -5.557 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.527 -4.061 -4.128 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.995 -2.372 -4.094 1.00 0.00 H new ATOM 0 HG LEU A 40 4.353 -2.864 -6.753 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.477 -4.284 -7.538 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.609 -5.220 -6.533 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.061 -4.668 -5.850 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.107 -1.858 -7.075 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.693 -2.243 -5.388 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.977 -1.062 -5.742 1.00 0.00 H new ATOM 298 N VAL A 41 7.356 -4.023 -3.123 1.00 0.00 N ATOM 299 CA VAL A 41 8.096 -3.759 -1.891 1.00 0.00 C ATOM 300 C VAL A 41 9.127 -2.657 -2.117 1.00 0.00 C ATOM 301 O VAL A 41 9.831 -2.640 -3.126 1.00 0.00 O ATOM 302 CB VAL A 41 8.811 -5.027 -1.412 1.00 0.00 C ATOM 303 CG1 VAL A 41 9.450 -4.774 -0.044 1.00 0.00 C ATOM 304 CG2 VAL A 41 7.798 -6.168 -1.292 1.00 0.00 C ATOM 0 H VAL A 41 7.752 -4.758 -3.709 1.00 0.00 H new ATOM 0 HA VAL A 41 7.384 -3.439 -1.131 1.00 0.00 H new ATOM 0 HB VAL A 41 9.585 -5.296 -2.130 1.00 0.00 H new ATOM 0 HG11 VAL A 41 9.957 -5.678 0.293 1.00 0.00 H new ATOM 0 HG12 VAL A 41 10.172 -3.961 -0.124 1.00 0.00 H new ATOM 0 HG13 VAL A 41 8.676 -4.503 0.674 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.305 -7.071 -0.951 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.024 -5.894 -0.575 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.342 -6.353 -2.264 1.00 0.00 H new ATOM 305 N SER A 42 9.206 -1.737 -1.159 1.00 0.00 N ATOM 306 CA SER A 42 10.156 -0.628 -1.250 1.00 0.00 C ATOM 307 C SER A 42 9.869 0.224 -2.485 1.00 0.00 C ATOM 308 O SER A 42 10.784 0.687 -3.168 1.00 0.00 O ATOM 309 CB SER A 42 11.590 -1.156 -1.323 1.00 0.00 C ATOM 310 OG SER A 42 11.884 -1.881 -0.136 1.00 0.00 O ATOM 0 H SER A 42 8.630 -1.735 -0.317 1.00 0.00 H new ATOM 0 HA SER A 42 10.043 -0.014 -0.356 1.00 0.00 H new ATOM 0 HB2 SER A 42 11.709 -1.799 -2.195 1.00 0.00 H new ATOM 0 HB3 SER A 42 12.289 -0.328 -1.440 1.00 0.00 H new ATOM 0 HG SER A 42 12.802 -2.222 -0.180 1.00 0.00 H new ATOM 311 N MET A 43 8.584 0.428 -2.761 1.00 0.00 N ATOM 312 CA MET A 43 8.182 1.229 -3.914 1.00 0.00 C ATOM 313 C MET A 43 7.819 2.644 -3.475 1.00 0.00 C ATOM 314 O MET A 43 6.995 2.841 -2.581 1.00 0.00 O ATOM 315 CB MET A 43 6.976 0.598 -4.611 1.00 0.00 C ATOM 316 CG MET A 43 7.411 -0.685 -5.323 1.00 0.00 C ATOM 317 SD MET A 43 8.459 -0.264 -6.738 1.00 0.00 S ATOM 318 CE MET A 43 7.150 -0.223 -7.986 1.00 0.00 C ATOM 0 H MET A 43 7.811 0.055 -2.210 1.00 0.00 H new ATOM 0 HA MET A 43 9.021 1.266 -4.608 1.00 0.00 H new ATOM 0 HB2 MET A 43 6.197 0.376 -3.882 1.00 0.00 H new ATOM 0 HB3 MET A 43 6.550 1.299 -5.329 1.00 0.00 H new ATOM 0 HG2 MET A 43 7.955 -1.330 -4.633 1.00 0.00 H new ATOM 0 HG3 MET A 43 6.536 -1.242 -5.658 1.00 0.00 H new ATOM 0 HE1 MET A 43 7.263 -1.072 -8.660 1.00 0.00 H new ATOM 0 HE2 MET A 43 6.178 -0.275 -7.496 1.00 0.00 H new ATOM 0 HE3 MET A 43 7.219 0.704 -8.556 1.00 0.00 H new ATOM 319 N GLN A 44 8.444 3.629 -4.114 1.00 0.00 N ATOM 320 CA GLN A 44 8.183 5.027 -3.782 1.00 0.00 C ATOM 321 C GLN A 44 6.893 5.501 -4.444 1.00 0.00 C ATOM 322 O GLN A 44 6.659 5.259 -5.628 1.00 0.00 O ATOM 323 CB GLN A 44 9.337 5.914 -4.252 1.00 0.00 C ATOM 324 CG GLN A 44 10.584 5.616 -3.417 1.00 0.00 C ATOM 325 CD GLN A 44 11.675 6.626 -3.753 1.00 0.00 C ATOM 326 OE1 GLN A 44 11.572 7.801 -3.401 1.00 0.00 O ATOM 327 NE2 GLN A 44 12.726 6.235 -4.421 1.00 0.00 N ATOM 0 H GLN A 44 9.128 3.488 -4.857 1.00 0.00 H new ATOM 0 HA GLN A 44 8.085 5.101 -2.699 1.00 0.00 H new ATOM 0 HB2 GLN A 44 9.542 5.734 -5.307 1.00 0.00 H new ATOM 0 HB3 GLN A 44 9.064 6.965 -4.155 1.00 0.00 H new ATOM 0 HG2 GLN A 44 10.343 5.665 -2.355 1.00 0.00 H new ATOM 0 HG3 GLN A 44 10.936 4.604 -3.618 1.00 0.00 H new ATOM 0 HE21 GLN A 44 12.812 5.261 -4.713 1.00 0.00 H new ATOM 0 HE22 GLN A 44 13.462 6.903 -4.651 1.00 0.00 H new ATOM 328 N VAL A 45 6.058 6.182 -3.663 1.00 0.00 N ATOM 329 CA VAL A 45 4.790 6.690 -4.180 1.00 0.00 C ATOM 330 C VAL A 45 4.948 8.135 -4.646 1.00 0.00 C ATOM 331 O VAL A 45 5.857 8.845 -4.215 1.00 0.00 O ATOM 332 CB VAL A 45 3.706 6.629 -3.103 1.00 0.00 C ATOM 333 CG1 VAL A 45 3.412 5.169 -2.757 1.00 0.00 C ATOM 334 CG2 VAL A 45 4.191 7.361 -1.849 1.00 0.00 C ATOM 0 H VAL A 45 6.233 6.393 -2.681 1.00 0.00 H new ATOM 0 HA VAL A 45 4.496 6.064 -5.023 1.00 0.00 H new ATOM 0 HB VAL A 45 2.798 7.105 -3.475 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.639 5.125 -1.989 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.067 4.646 -3.649 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.320 4.693 -2.386 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.419 7.318 -1.081 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.099 6.885 -1.478 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.401 8.402 -2.094 1.00 0.00 H new ATOM 335 N ASN A 46 4.055 8.559 -5.535 1.00 0.00 N ATOM 336 CA ASN A 46 4.107 9.922 -6.059 1.00 0.00 C ATOM 337 C ASN A 46 3.497 10.912 -5.063 1.00 0.00 C ATOM 338 O ASN A 46 3.899 12.074 -5.000 1.00 0.00 O ATOM 339 CB ASN A 46 3.369 10.020 -7.407 1.00 0.00 C ATOM 340 CG ASN A 46 1.872 9.749 -7.230 1.00 0.00 C ATOM 341 OD1 ASN A 46 1.471 8.929 -6.406 1.00 0.00 O ATOM 342 ND2 ASN A 46 1.016 10.400 -7.968 1.00 0.00 N ATOM 0 H ASN A 46 3.295 7.988 -5.905 1.00 0.00 H new ATOM 0 HA ASN A 46 5.155 10.178 -6.213 1.00 0.00 H new ATOM 0 HB2 ASN A 46 3.515 11.012 -7.835 1.00 0.00 H new ATOM 0 HB3 ASN A 46 3.792 9.303 -8.111 1.00 0.00 H new ATOM 0 HD21 ASN A 46 0.016 10.228 -7.861 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.346 11.081 -8.652 1.00 0.00 H new ATOM 343 N ARG A 47 2.525 10.438 -4.288 1.00 0.00 N ATOM 344 CA ARG A 47 1.871 11.293 -3.300 1.00 0.00 C ATOM 345 C ARG A 47 1.741 10.566 -1.965 1.00 0.00 C ATOM 346 O ARG A 47 2.182 9.426 -1.816 1.00 0.00 O ATOM 347 CB ARG A 47 0.478 11.705 -3.783 1.00 0.00 C ATOM 348 CG ARG A 47 -0.348 10.457 -4.103 1.00 0.00 C ATOM 349 CD ARG A 47 -1.706 10.873 -4.670 1.00 0.00 C ATOM 350 NE ARG A 47 -2.528 11.494 -3.634 1.00 0.00 N ATOM 351 CZ ARG A 47 -3.853 11.532 -3.742 1.00 0.00 C ATOM 352 NH1 ARG A 47 -4.411 12.226 -4.697 1.00 0.00 N ATOM 353 NH2 ARG A 47 -4.596 10.876 -2.894 1.00 0.00 N ATOM 0 H ARG A 47 2.176 9.480 -4.323 1.00 0.00 H new ATOM 0 HA ARG A 47 2.486 12.183 -3.169 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.022 12.297 -3.017 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.561 12.335 -4.669 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.182 9.832 -4.822 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.486 9.859 -3.202 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -1.563 11.571 -5.495 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -2.219 10.001 -5.075 1.00 0.00 H new ATOM 0 HE ARG A 47 -2.079 11.905 -2.815 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.831 12.739 -5.360 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -5.427 12.255 -4.780 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -4.161 10.334 -2.148 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -5.612 10.905 -2.977 1.00 0.00 H new ATOM 354 N ALA A 48 1.129 11.240 -0.996 1.00 0.00 N ATOM 355 CA ALA A 48 0.942 10.653 0.327 1.00 0.00 C ATOM 356 C ALA A 48 -0.305 9.775 0.348 1.00 0.00 C ATOM 357 O ALA A 48 -1.398 10.215 -0.006 1.00 0.00 O ATOM 358 CB ALA A 48 0.798 11.748 1.385 1.00 0.00 C ATOM 0 H ALA A 48 0.757 12.184 -1.100 1.00 0.00 H new ATOM 0 HA ALA A 48 1.819 10.046 0.552 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.659 11.291 2.365 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.697 12.364 1.396 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.065 12.370 1.149 1.00 0.00 H new ATOM 359 N VAL A 49 -0.126 8.525 0.768 1.00 0.00 N ATOM 360 CA VAL A 49 -1.242 7.586 0.833 1.00 0.00 C ATOM 361 C VAL A 49 -1.484 7.149 2.286 1.00 0.00 C ATOM 362 O VAL A 49 -0.678 6.409 2.849 1.00 0.00 O ATOM 363 CB VAL A 49 -0.943 6.344 -0.013 1.00 0.00 C ATOM 364 CG1 VAL A 49 -2.190 5.461 -0.083 1.00 0.00 C ATOM 365 CG2 VAL A 49 -0.547 6.774 -1.428 1.00 0.00 C ATOM 0 H VAL A 49 0.771 8.142 1.065 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.130 8.086 0.447 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.125 5.785 0.442 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.977 4.578 -0.685 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.476 5.154 0.923 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.007 6.021 -0.537 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.334 5.891 -2.030 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.366 7.333 -1.881 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.341 7.404 -1.382 1.00 0.00 H new ATOM 366 N PRO A 50 -2.588 7.591 2.921 1.00 0.00 N ATOM 367 CA PRO A 50 -2.879 7.210 4.316 1.00 0.00 C ATOM 368 C PRO A 50 -3.501 5.820 4.428 1.00 0.00 C ATOM 369 O PRO A 50 -3.659 5.112 3.434 1.00 0.00 O ATOM 370 CB PRO A 50 -3.869 8.283 4.750 1.00 0.00 C ATOM 371 CG PRO A 50 -4.526 8.823 3.486 1.00 0.00 C ATOM 372 CD PRO A 50 -3.604 8.481 2.311 1.00 0.00 C ATOM 0 HA PRO A 50 -1.980 7.155 4.930 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -4.617 7.867 5.425 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -3.360 9.081 5.291 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -5.511 8.377 3.344 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -4.672 9.901 3.559 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -4.145 7.982 1.507 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -3.150 9.375 1.883 1.00 0.00 H new ATOM 373 N LEU A 51 -3.849 5.438 5.654 1.00 0.00 N ATOM 374 CA LEU A 51 -4.452 4.130 5.893 1.00 0.00 C ATOM 375 C LEU A 51 -5.820 4.040 5.225 1.00 0.00 C ATOM 376 O LEU A 51 -6.520 5.041 5.071 1.00 0.00 O ATOM 377 CB LEU A 51 -4.613 3.881 7.394 1.00 0.00 C ATOM 378 CG LEU A 51 -3.242 3.612 8.017 1.00 0.00 C ATOM 379 CD1 LEU A 51 -2.565 4.940 8.357 1.00 0.00 C ATOM 380 CD2 LEU A 51 -3.418 2.789 9.296 1.00 0.00 C ATOM 0 H LEU A 51 -3.725 6.009 6.490 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.791 3.374 5.468 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.077 4.746 7.869 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.274 3.031 7.564 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.623 3.060 7.309 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.588 4.747 8.801 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.441 5.528 7.448 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.183 5.492 9.065 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.442 2.596 9.742 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.037 3.342 10.003 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.901 1.842 9.056 1.00 0.00 H new ATOM 381 N GLY A 52 -6.193 2.825 4.831 1.00 0.00 N ATOM 382 CA GLY A 52 -7.481 2.606 4.180 1.00 0.00 C ATOM 383 C GLY A 52 -7.548 3.344 2.847 1.00 0.00 C ATOM 384 O GLY A 52 -8.437 4.164 2.619 1.00 0.00 O ATOM 0 H GLY A 52 -5.627 1.984 4.950 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.635 1.539 4.018 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.285 2.949 4.831 1.00 0.00 H new ATOM 385 N THR A 53 -6.596 3.042 1.970 1.00 0.00 N ATOM 386 CA THR A 53 -6.553 3.681 0.657 1.00 0.00 C ATOM 387 C THR A 53 -6.101 2.684 -0.404 1.00 0.00 C ATOM 388 O THR A 53 -5.037 2.075 -0.293 1.00 0.00 O ATOM 389 CB THR A 53 -5.587 4.869 0.670 1.00 0.00 C ATOM 390 OG1 THR A 53 -5.856 5.683 1.802 1.00 0.00 O ATOM 391 CG2 THR A 53 -5.770 5.690 -0.607 1.00 0.00 C ATOM 0 H THR A 53 -5.851 2.367 2.140 1.00 0.00 H new ATOM 0 HA THR A 53 -7.557 4.034 0.421 1.00 0.00 H new ATOM 0 HB THR A 53 -4.561 4.504 0.721 1.00 0.00 H new ATOM 0 HG1 THR A 53 -5.142 5.569 2.464 1.00 0.00 H new ATOM 0 HG21 THR A 53 -5.082 6.536 -0.598 1.00 0.00 H new ATOM 0 HG22 THR A 53 -5.563 5.064 -1.475 1.00 0.00 H new ATOM 0 HG23 THR A 53 -6.795 6.057 -0.660 1.00 0.00 H new ATOM 392 N THR A 54 -6.925 2.523 -1.436 1.00 0.00 N ATOM 393 CA THR A 54 -6.605 1.595 -2.517 1.00 0.00 C ATOM 394 C THR A 54 -5.316 2.014 -3.217 1.00 0.00 C ATOM 395 O THR A 54 -5.178 3.151 -3.669 1.00 0.00 O ATOM 396 CB THR A 54 -7.740 1.556 -3.544 1.00 0.00 C ATOM 397 OG1 THR A 54 -8.988 1.626 -2.869 1.00 0.00 O ATOM 398 CG2 THR A 54 -7.663 0.255 -4.345 1.00 0.00 C ATOM 0 H THR A 54 -7.810 3.017 -1.547 1.00 0.00 H new ATOM 0 HA THR A 54 -6.476 0.604 -2.081 1.00 0.00 H new ATOM 0 HB THR A 54 -7.645 2.403 -4.223 1.00 0.00 H new ATOM 0 HG1 THR A 54 -9.716 1.603 -3.524 1.00 0.00 H new ATOM 0 HG21 THR A 54 -8.472 0.229 -5.075 1.00 0.00 H new ATOM 0 HG22 THR A 54 -6.705 0.202 -4.862 1.00 0.00 H new ATOM 0 HG23 THR A 54 -7.757 -0.595 -3.669 1.00 0.00 H new ATOM 399 N LEU A 55 -4.373 1.080 -3.301 1.00 0.00 N ATOM 400 CA LEU A 55 -3.094 1.358 -3.948 1.00 0.00 C ATOM 401 C LEU A 55 -3.195 1.116 -5.450 1.00 0.00 C ATOM 402 O LEU A 55 -3.361 -0.017 -5.901 1.00 0.00 O ATOM 403 CB LEU A 55 -1.994 0.465 -3.371 1.00 0.00 C ATOM 404 CG LEU A 55 -0.628 1.090 -3.654 1.00 0.00 C ATOM 405 CD1 LEU A 55 -0.366 2.216 -2.653 1.00 0.00 C ATOM 406 CD2 LEU A 55 0.459 0.023 -3.516 1.00 0.00 C ATOM 0 H LEU A 55 -4.468 0.133 -2.933 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.844 2.403 -3.763 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.135 0.344 -2.297 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.049 -0.530 -3.813 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.615 1.493 -4.667 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.608 2.662 -2.854 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.141 2.977 -2.750 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.378 1.813 -1.640 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.433 0.468 -3.718 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.447 -0.380 -2.503 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.273 -0.781 -4.229 1.00 0.00 H new ATOM 407 N MET A 56 -3.092 2.196 -6.218 1.00 0.00 N ATOM 408 CA MET A 56 -3.173 2.095 -7.672 1.00 0.00 C ATOM 409 C MET A 56 -1.770 2.003 -8.280 1.00 0.00 C ATOM 410 O MET A 56 -0.790 2.395 -7.647 1.00 0.00 O ATOM 411 CB MET A 56 -3.890 3.315 -8.255 1.00 0.00 C ATOM 412 CG MET A 56 -5.357 3.299 -7.823 1.00 0.00 C ATOM 413 SD MET A 56 -6.242 4.649 -8.643 1.00 0.00 S ATOM 414 CE MET A 56 -7.919 4.049 -8.320 1.00 0.00 C ATOM 0 H MET A 56 -2.954 3.142 -5.863 1.00 0.00 H new ATOM 0 HA MET A 56 -3.735 1.194 -7.916 1.00 0.00 H new ATOM 0 HB2 MET A 56 -3.409 4.231 -7.912 1.00 0.00 H new ATOM 0 HB3 MET A 56 -3.820 3.306 -9.343 1.00 0.00 H new ATOM 0 HG2 MET A 56 -5.812 2.343 -8.080 1.00 0.00 H new ATOM 0 HG3 MET A 56 -5.430 3.407 -6.741 1.00 0.00 H new ATOM 0 HE1 MET A 56 -8.642 4.743 -8.747 1.00 0.00 H new ATOM 0 HE2 MET A 56 -8.048 3.066 -8.774 1.00 0.00 H new ATOM 0 HE3 MET A 56 -8.078 3.975 -7.244 1.00 0.00 H new ATOM 415 N PRO A 57 -1.649 1.483 -9.514 1.00 0.00 N ATOM 416 CA PRO A 57 -0.340 1.354 -10.179 1.00 0.00 C ATOM 417 C PRO A 57 0.126 2.658 -10.824 1.00 0.00 C ATOM 418 O PRO A 57 1.323 2.889 -10.994 1.00 0.00 O ATOM 419 CB PRO A 57 -0.616 0.293 -11.237 1.00 0.00 C ATOM 420 CG PRO A 57 -2.114 0.318 -11.517 1.00 0.00 C ATOM 421 CD PRO A 57 -2.793 0.996 -10.322 1.00 0.00 C ATOM 0 HA PRO A 57 0.459 1.098 -9.483 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.051 0.499 -12.146 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.306 -0.691 -10.885 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.323 0.863 -12.437 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.496 -0.694 -11.652 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.440 1.814 -10.638 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.413 0.297 -9.761 1.00 0.00 H new ATOM 422 N ASP A 58 -0.834 3.507 -11.181 1.00 0.00 N ATOM 423 CA ASP A 58 -0.510 4.786 -11.807 1.00 0.00 C ATOM 424 C ASP A 58 0.187 5.707 -10.810 1.00 0.00 C ATOM 425 O ASP A 58 1.044 6.510 -11.179 1.00 0.00 O ATOM 426 CB ASP A 58 -1.781 5.472 -12.314 1.00 0.00 C ATOM 427 CG ASP A 58 -2.789 5.582 -11.175 1.00 0.00 C ATOM 428 OD1 ASP A 58 -2.708 6.545 -10.430 1.00 0.00 O ATOM 429 OD2 ASP A 58 -3.626 4.702 -11.064 1.00 0.00 O ATOM 0 H ASP A 58 -1.831 3.336 -11.050 1.00 0.00 H new ATOM 0 HA ASP A 58 0.156 4.589 -12.647 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.543 6.463 -12.700 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.209 4.903 -13.139 1.00 0.00 H new ATOM 430 N MET A 59 -0.193 5.583 -9.542 1.00 0.00 N ATOM 431 CA MET A 59 0.401 6.409 -8.494 1.00 0.00 C ATOM 432 C MET A 59 1.782 5.883 -8.118 1.00 0.00 C ATOM 433 O MET A 59 2.683 6.649 -7.774 1.00 0.00 O ATOM 434 CB MET A 59 -0.486 6.413 -7.247 1.00 0.00 C ATOM 435 CG MET A 59 -1.748 7.232 -7.520 1.00 0.00 C ATOM 436 SD MET A 59 -2.643 7.497 -5.969 1.00 0.00 S ATOM 437 CE MET A 59 -3.436 5.873 -5.884 1.00 0.00 C ATOM 0 H MET A 59 -0.902 4.926 -9.216 1.00 0.00 H new ATOM 0 HA MET A 59 0.491 7.425 -8.879 1.00 0.00 H new ATOM 0 HB2 MET A 59 -0.754 5.392 -6.975 1.00 0.00 H new ATOM 0 HB3 MET A 59 0.058 6.835 -6.402 1.00 0.00 H new ATOM 0 HG2 MET A 59 -1.483 8.190 -7.968 1.00 0.00 H new ATOM 0 HG3 MET A 59 -2.385 6.711 -8.235 1.00 0.00 H new ATOM 0 HE1 MET A 59 -3.858 5.726 -4.890 1.00 0.00 H new ATOM 0 HE2 MET A 59 -4.231 5.817 -6.628 1.00 0.00 H new ATOM 0 HE3 MET A 59 -2.697 5.097 -6.083 1.00 0.00 H new ATOM 438 N VAL A 60 1.938 4.564 -8.187 1.00 0.00 N ATOM 439 CA VAL A 60 3.214 3.938 -7.852 1.00 0.00 C ATOM 440 C VAL A 60 4.186 4.055 -9.023 1.00 0.00 C ATOM 441 O VAL A 60 4.055 3.359 -10.030 1.00 0.00 O ATOM 442 CB VAL A 60 3.009 2.458 -7.510 1.00 0.00 C ATOM 443 CG1 VAL A 60 4.323 1.858 -7.002 1.00 0.00 C ATOM 444 CG2 VAL A 60 1.940 2.330 -6.422 1.00 0.00 C ATOM 0 H VAL A 60 1.205 3.913 -8.469 1.00 0.00 H new ATOM 0 HA VAL A 60 3.629 4.453 -6.986 1.00 0.00 H new ATOM 0 HB VAL A 60 2.689 1.923 -8.404 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.173 0.806 -6.760 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.087 1.947 -7.775 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.646 2.393 -6.109 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.793 1.278 -6.178 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.262 2.868 -5.530 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.002 2.753 -6.782 1.00 0.00 H new ATOM 445 N LYS A 61 5.163 4.946 -8.877 1.00 0.00 N ATOM 446 CA LYS A 61 6.156 5.152 -9.927 1.00 0.00 C ATOM 447 C LYS A 61 7.046 3.921 -10.069 1.00 0.00 C ATOM 448 O LYS A 61 7.708 3.503 -9.120 1.00 0.00 O ATOM 449 CB LYS A 61 7.032 6.365 -9.606 1.00 0.00 C ATOM 450 CG LYS A 61 6.190 7.640 -9.685 1.00 0.00 C ATOM 451 CD LYS A 61 7.106 8.863 -9.598 1.00 0.00 C ATOM 452 CE LYS A 61 6.300 10.128 -9.900 1.00 0.00 C ATOM 453 NZ LYS A 61 7.185 11.321 -9.778 1.00 0.00 N ATOM 0 H LYS A 61 5.288 5.531 -8.051 1.00 0.00 H new ATOM 0 HA LYS A 61 5.624 5.326 -10.862 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.462 6.262 -8.610 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.864 6.422 -10.308 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.627 7.660 -10.618 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.462 7.659 -8.874 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.548 8.929 -8.604 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.929 8.765 -10.307 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.881 10.074 -10.905 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.461 10.212 -9.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.638 12.181 -9.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.565 11.374 -8.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 7.971 11.241 -10.454 1.00 0.00 H new ATOM 454 N GLY A 62 7.051 3.346 -11.268 1.00 0.00 N ATOM 455 CA GLY A 62 7.862 2.159 -11.529 1.00 0.00 C ATOM 456 C GLY A 62 6.977 0.932 -11.719 1.00 0.00 C ATOM 457 O GLY A 62 7.311 0.019 -12.475 1.00 0.00 O ATOM 0 H GLY A 62 6.510 3.677 -12.067 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.470 2.317 -12.420 1.00 0.00 H new ATOM 0 HA3 GLY A 62 8.549 1.993 -10.700 1.00 0.00 H new ATOM 458 N TYR A 63 5.844 0.923 -11.024 1.00 0.00 N ATOM 459 CA TYR A 63 4.911 -0.196 -11.121 1.00 0.00 C ATOM 460 C TYR A 63 3.903 0.049 -12.241 1.00 0.00 C ATOM 461 O TYR A 63 3.213 1.068 -12.263 1.00 0.00 O ATOM 462 CB TYR A 63 4.158 -0.379 -9.801 1.00 0.00 C ATOM 463 CG TYR A 63 3.359 -1.660 -9.846 1.00 0.00 C ATOM 464 CD1 TYR A 63 4.024 -2.915 -9.812 1.00 0.00 C ATOM 465 CD2 TYR A 63 1.942 -1.608 -9.923 1.00 0.00 C ATOM 466 CE1 TYR A 63 3.271 -4.119 -9.855 1.00 0.00 C ATOM 467 CE2 TYR A 63 1.188 -2.812 -9.966 1.00 0.00 C ATOM 468 CZ TYR A 63 1.852 -4.068 -9.932 1.00 0.00 C ATOM 469 OH TYR A 63 1.121 -5.237 -9.975 1.00 0.00 O ATOM 0 H TYR A 63 5.551 1.669 -10.393 1.00 0.00 H new ATOM 0 HA TYR A 63 5.484 -1.097 -11.339 1.00 0.00 H new ATOM 0 HB2 TYR A 63 4.863 -0.407 -8.970 1.00 0.00 H new ATOM 0 HB3 TYR A 63 3.495 0.469 -9.628 1.00 0.00 H new ATOM 0 HD1 TYR A 63 5.102 -2.954 -9.753 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.437 -0.654 -9.949 1.00 0.00 H new ATOM 0 HE1 TYR A 63 3.776 -5.073 -9.829 1.00 0.00 H new ATOM 0 HE2 TYR A 63 0.110 -2.772 -10.025 1.00 0.00 H new ATOM 0 HH TYR A 63 0.166 -5.024 -10.025 1.00 0.00 H new ATOM 470 N ALA A 64 3.829 -0.899 -13.171 1.00 0.00 N ATOM 471 CA ALA A 64 2.903 -0.779 -14.294 1.00 0.00 C ATOM 472 C ALA A 64 2.198 -2.108 -14.546 1.00 0.00 C ATOM 473 O ALA A 64 2.837 -3.127 -14.808 1.00 0.00 O ATOM 474 CB ALA A 64 3.650 -0.363 -15.562 1.00 0.00 C ATOM 0 H ALA A 64 4.392 -1.750 -13.171 1.00 0.00 H new ATOM 0 HA ALA A 64 2.165 -0.017 -14.042 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.945 -0.278 -16.389 1.00 0.00 H new ATOM 0 HB2 ALA A 64 4.135 0.599 -15.399 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.403 -1.113 -15.803 1.00 0.00 H new ATOM 475 N ALA A 65 0.870 -2.084 -14.463 1.00 0.00 N ATOM 476 CA ALA A 65 0.076 -3.293 -14.683 1.00 0.00 C ATOM 477 C ALA A 65 0.444 -4.367 -13.664 1.00 0.00 C ATOM 478 O ALA A 65 0.029 -5.499 -13.850 1.00 0.00 O ATOM 479 CB ALA A 65 0.311 -3.842 -16.092 1.00 0.00 C ATOM 0 H ALA A 65 0.324 -1.250 -14.247 1.00 0.00 H new ATOM 0 HA ALA A 65 -0.975 -3.028 -14.568 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.288 -4.741 -16.237 1.00 0.00 H new ATOM 0 HB2 ALA A 65 0.022 -3.091 -16.828 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.366 -4.085 -16.216 1.00 0.00 H new TER 480 ALA A 65 END