USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 831 hydrogens (0 hets) HEADER CIS-TRANS ISOMERASE 05-MAR-92 1FKT TITLE SOLUTION STRUCTURE OF FKBP, A ROTAMASE ENZYME AND RECEPTOR TITLE 2 FOR FK506 AND RAPAMYCIN COMPND MOL_ID: 1; COMPND 2 MOLECULE: FK506 AND RAPAMYCIN-BINDING PROTEIN; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 CELL_LINE: S2 KEYWDS CIS-TRANS ISOMERASE EXPDTA SOLUTION NMR AUTHOR S.W.MICHNICK,M.K.ROSEN,T.J.WANDLESS,M.KARPLUS,S.L.SCHREIBER REVDAT 2 24-FEB-09 1FKT 1 VERSN REVDAT 1 31-JAN-94 1FKT 0 JRNL AUTH S.W.MICHNICK,M.K.ROSEN,T.J.WANDLESS,M.KARPLUS, JRNL AUTH 2 S.L.SCHREIBER JRNL TITL SOLUTION STRUCTURE OF FKBP, A ROTAMASE ENZYME AND JRNL TITL 2 RECEPTOR FOR FK506 AND RAPAMYCIN. JRNL REF SCIENCE V. 252 836 1991 JRNL REFN ISSN 0036-8075 JRNL PMID 1709301 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH M.K.ROSEN,S.W.MICHNICK,M.KARPLUS,S.L.SCHREIBER REMARK 1 TITL PROTON AND NITROGEN SEQUENTIAL ASSIGNMENTS AND REMARK 1 TITL 2 SECONDARY STRUCTURE DETERMINATION OF THE HUMAN REMARK 1 TITL 3 FK506 AND RAPAMYCIN BINDING PROTEIN REMARK 1 REF BIOCHEMISTRY V. 30 4774 1991 REMARK 1 REFN ISSN 0006-2960 REMARK 1 REFERENCE 2 REMARK 1 AUTH R.F.STANDAERT,A.GALAT,G.L.VERDINE,S.L.SCHREIBER REMARK 1 TITL MOLECULAR CLONING AND OVEREXPRESSION OF THE HUMAN REMARK 1 TITL 2 FK506-BINDING PROTEIN FKBP REMARK 1 REF NATURE V. 346 671 1990 REMARK 1 REFN ISSN 0028-0836 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1FKT 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) : NULL REMARK 210 PH : NULL REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : NULL REMARK 210 SPECTROMETER MODEL : NULL REMARK 210 SPECTROMETER MANUFACTURER : NULL REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : NULL REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 ARG A 13 NE - CZ - NH1 ANGL. DEV. = -3.3 DEGREES REMARK 500 ARG A 18 NE - CZ - NH1 ANGL. DEV. = -3.4 DEGREES REMARK 500 ARG A 40 NE - CZ - NH1 ANGL. DEV. = -5.3 DEGREES REMARK 500 ARG A 42 NE - CZ - NH1 ANGL. DEV. = -3.4 DEGREES REMARK 500 ARG A 57 NE - CZ - NH1 ANGL. DEV. = -3.8 DEGREES REMARK 500 TRP A 59 CG - CD1 - NE1 ANGL. DEV. = -7.2 DEGREES REMARK 500 TRP A 59 CD1 - NE1 - CE2 ANGL. DEV. = 8.4 DEGREES REMARK 500 TRP A 59 NE1 - CE2 - CZ2 ANGL. DEV. = 12.1 DEGREES REMARK 500 TRP A 59 NE1 - CE2 - CD2 ANGL. DEV. = -7.5 DEGREES REMARK 500 TRP A 59 CG - CD2 - CE3 ANGL. DEV. = -6.5 DEGREES REMARK 500 GLU A 61 OE1 - CD - OE2 ANGL. DEV. = 7.5 DEGREES REMARK 500 ARG A 71 NE - CZ - NH1 ANGL. DEV. = -4.3 DEGREES REMARK 500 LYS A 73 N - CA - C ANGL. DEV. = -16.9 DEGREES REMARK 500 GLU A 107 N - CA - C ANGL. DEV. = -18.2 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 GLU A 31 -59.33 -19.01 REMARK 500 ASP A 32 20.51 -140.03 REMARK 500 LYS A 34 -168.26 -160.63 REMARK 500 SER A 39 73.75 -106.10 REMARK 500 ARG A 40 50.61 -101.67 REMARK 500 ARG A 42 -76.87 -17.91 REMARK 500 LYS A 44 79.38 -157.24 REMARK 500 PRO A 45 157.54 -36.64 REMARK 500 GLN A 53 54.96 38.60 REMARK 500 ALA A 81 -115.52 -116.44 REMARK 500 TYR A 82 58.70 -114.16 REMARK 500 PRO A 88 87.84 -57.11 REMARK 500 PRO A 92 170.52 -56.55 REMARK 500 PRO A 93 170.44 -58.56 REMARK 500 HIS A 94 57.72 18.42 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 13 0.29 SIDE_CHAIN REMARK 500 ARG A 18 0.32 SIDE_CHAIN REMARK 500 ARG A 40 0.26 SIDE_CHAIN REMARK 500 ARG A 42 0.24 SIDE_CHAIN REMARK 500 ARG A 57 0.31 SIDE_CHAIN REMARK 500 ARG A 71 0.29 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: BND REMARK 800 EVIDENCE_CODE: UNKNOWN REMARK 800 SITE_DESCRIPTION: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1FKR RELATED DB: PDB REMARK 900 RELATED ID: 1FKS RELATED DB: PDB DBREF 1FKT A 1 107 UNP P62942 FKB1A_HUMAN 1 107 SEQRES 1 A 107 GLY VAL GLN VAL GLU THR ILE SER PRO GLY ASP GLY ARG SEQRES 2 A 107 THR PHE PRO LYS ARG GLY GLN THR CYS VAL VAL HIS TYR SEQRES 3 A 107 THR GLY MET LEU GLU ASP GLY LYS LYS PHE ASP SER SER SEQRES 4 A 107 ARG ASP ARG ASN LYS PRO PHE LYS PHE MET LEU GLY LYS SEQRES 5 A 107 GLN GLU VAL ILE ARG GLY TRP GLU GLU GLY VAL ALA GLN SEQRES 6 A 107 MET SER VAL GLY GLN ARG ALA LYS LEU THR ILE SER PRO SEQRES 7 A 107 ASP TYR ALA TYR GLY ALA THR GLY HIS PRO GLY ILE ILE SEQRES 8 A 107 PRO PRO HIS ALA THR LEU VAL PHE ASP VAL GLU LEU LEU SEQRES 9 A 107 LYS LEU GLU HELIX 1 H1 ARG A 57 GLN A 65 1LAST RESIDUE MAY BE 3/10 9 SHEET 1 S1 5 VAL A 2 SER A 8 0 SHEET 2 S1 5 ARG A 71 SER A 77 -1 SHEET 3 S1 5 LEU A 97 LEU A 106 -1 SHEET 4 S1 5 THR A 21 GLU A 31 -1 SHEET 5 S1 5 LYS A 35 SER A 38 -1 SHEET 1 S2 5 VAL A 2 SER A 8 0 SHEET 2 S2 5 ARG A 71 SER A 77 -1 SHEET 3 S2 5 LEU A 97 LEU A 106 -1 SHEET 4 S2 5 THR A 21 GLU A 31 -1 SHEET 5 S2 5 PHE A 46 MET A 49 -1 SITE *** BND 8 TYR A 26 PHE A 36 PHE A 46 VAL A 55 SITE *** BND 8 ILE A 56 TRP A 59 TYR A 82 PHE A 99 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 6 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 67 SER OG : rot 180:sc= -0.155 USER MOD Set 1.3: A 70 GLN : amide:sc= -0.113 K(o=-0.27,f=-2.6!) USER MOD Set 2.1: A 25 HIS : no HD1:sc= -0.622 K(o=0.45,f=-5!) USER MOD Set 2.2: A 39 SER OG : rot 92:sc= 1.07 USER MOD Single : A 1 GLY N :NH3+ -134:sc= 1.23 (180deg=0.0683) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 85:sc= 0.738 USER MOD Single : A 17 LYS NZ :NH3+ -147:sc= -0.145 (180deg=-1.03) USER MOD Single : A 20 GLN :FLIP amide:sc= -0.0746 F(o=-1.6!,f=-0.075) USER MOD Single : A 21 THR OG1 : rot 87:sc= 0.547 USER MOD Single : A 22 CYS SG : rot 180:sc= -0.215 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 138:sc= -0.213 (180deg=-1.18!) USER MOD Single : A 35 LYS NZ :NH3+ 154:sc= -0.187 (180deg=-1.04) USER MOD Single : A 38 SER OG : rot 100:sc= -0.562 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ -150:sc= -0.0726 (180deg=-0.584) USER MOD Single : A 47 LYS NZ :NH3+ 177:sc= -0.4 (180deg=-0.588) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.437) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN :FLIP amide:sc= -0.728 F(o=-2.2!,f=-0.73) USER MOD Single : A 66 MET CE :methyl 169:sc= -1.33 (180deg=-1.77) USER MOD Single : A 73 LYS NZ :NH3+ -138:sc= -7.33! (180deg=-12.1!) USER MOD Single : A 75 THR OG1 : rot 133:sc= 0.772 USER MOD Single : A 77 SER OG : rot 70:sc= -4.37! USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HD1:sc= -0.136 K(o=-0.14,f=-0.7) USER MOD Single : A 94 HIS : no HD1:sc= -0.218 K(o=-0.22,f=-2.3!) USER MOD Single : A 96 THR OG1 : rot 84:sc= 0.184 USER MOD Single : A 105 LYS NZ :NH3+ -169:sc= -0.253 (180deg=-0.474) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -51.757 -30.026 58.137 1.00 1.72 N ATOM 2 CA GLY A 1 -50.516 -30.466 58.790 1.00 0.10 C ATOM 3 C GLY A 1 -50.618 -31.701 59.663 1.00 0.06 C ATOM 4 O GLY A 1 -50.036 -32.721 59.359 1.00 0.08 O ATOM 0 H1 GLY A 1 -51.566 -29.810 57.138 1.00 1.72 H new ATOM 0 H2 GLY A 1 -52.468 -30.782 58.198 1.00 1.72 H new ATOM 0 H3 GLY A 1 -52.116 -29.174 58.613 1.00 1.72 H new ATOM 0 HA2 GLY A 1 -49.771 -30.654 58.017 1.00 0.10 H new ATOM 0 HA3 GLY A 1 -50.141 -29.645 59.401 1.00 0.10 H new ATOM 10 N VAL A 2 -51.369 -31.593 60.727 1.00 0.05 N ATOM 11 CA VAL A 2 -51.509 -32.757 61.646 1.00 0.04 C ATOM 12 C VAL A 2 -52.370 -33.884 61.078 1.00 0.04 C ATOM 13 O VAL A 2 -53.254 -33.621 60.282 1.00 0.05 O ATOM 14 CB VAL A 2 -52.095 -32.200 62.981 1.00 0.04 C ATOM 15 CG1 VAL A 2 -53.578 -31.779 62.819 1.00 0.05 C ATOM 16 CG2 VAL A 2 -52.013 -33.211 64.136 1.00 0.05 C ATOM 0 H VAL A 2 -51.887 -30.757 60.997 1.00 0.05 H new ATOM 0 HA VAL A 2 -50.534 -33.219 61.800 1.00 0.04 H new ATOM 0 HB VAL A 2 -51.480 -31.334 63.224 1.00 0.04 H new ATOM 0 HG11 VAL A 2 -53.953 -31.396 63.768 1.00 0.05 H new ATOM 0 HG12 VAL A 2 -53.655 -31.002 62.058 1.00 0.05 H new ATOM 0 HG13 VAL A 2 -54.170 -32.643 62.517 1.00 0.05 H new ATOM 0 HG21 VAL A 2 -52.435 -32.768 65.038 1.00 0.05 H new ATOM 0 HG22 VAL A 2 -52.575 -34.108 63.875 1.00 0.05 H new ATOM 0 HG23 VAL A 2 -50.971 -33.475 64.315 1.00 0.05 H new ATOM 26 N GLN A 3 -52.053 -35.073 61.510 1.00 0.03 N ATOM 27 CA GLN A 3 -52.776 -36.306 61.092 1.00 0.04 C ATOM 28 C GLN A 3 -53.095 -36.985 62.418 1.00 0.04 C ATOM 29 O GLN A 3 -52.364 -36.810 63.378 1.00 0.04 O ATOM 30 CB GLN A 3 -51.878 -37.222 60.259 1.00 0.05 C ATOM 31 CG GLN A 3 -51.550 -36.514 58.946 1.00 1.50 C ATOM 32 CD GLN A 3 -50.654 -37.437 58.128 1.00 3.37 C ATOM 33 OE1 GLN A 3 -49.530 -37.702 58.488 1.00 6.19 O ATOM 34 NE2 GLN A 3 -51.091 -37.963 57.026 1.00 6.21 N ATOM 0 H GLN A 3 -51.289 -35.246 62.164 1.00 0.03 H new ATOM 0 HA GLN A 3 -53.650 -36.087 60.478 1.00 0.04 H new ATOM 0 HB2 GLN A 3 -50.963 -37.453 60.804 1.00 0.05 H new ATOM 0 HB3 GLN A 3 -52.380 -38.169 60.064 1.00 0.05 H new ATOM 0 HG2 GLN A 3 -52.464 -36.284 58.398 1.00 1.50 H new ATOM 0 HG3 GLN A 3 -51.047 -35.566 59.139 1.00 1.50 H new ATOM 0 HE21 GLN A 3 -52.035 -37.755 56.701 1.00 6.21 H new ATOM 0 HE22 GLN A 3 -50.490 -38.585 56.484 1.00 6.21 H new ATOM 43 N VAL A 4 -54.146 -37.745 62.441 1.00 0.05 N ATOM 44 CA VAL A 4 -54.542 -38.447 63.693 1.00 0.06 C ATOM 45 C VAL A 4 -54.601 -39.940 63.399 1.00 0.06 C ATOM 46 O VAL A 4 -55.488 -40.404 62.709 1.00 0.12 O ATOM 47 CB VAL A 4 -55.924 -37.905 64.143 1.00 0.08 C ATOM 48 CG1 VAL A 4 -56.348 -38.504 65.507 1.00 0.08 C ATOM 49 CG2 VAL A 4 -55.825 -36.373 64.269 1.00 0.12 C ATOM 0 H VAL A 4 -54.756 -37.914 61.641 1.00 0.05 H new ATOM 0 HA VAL A 4 -53.825 -38.275 64.496 1.00 0.06 H new ATOM 0 HB VAL A 4 -56.673 -38.189 63.404 1.00 0.08 H new ATOM 0 HG11 VAL A 4 -57.321 -38.104 65.794 1.00 0.08 H new ATOM 0 HG12 VAL A 4 -56.412 -39.589 65.424 1.00 0.08 H new ATOM 0 HG13 VAL A 4 -55.610 -38.241 66.265 1.00 0.08 H new ATOM 0 HG21 VAL A 4 -56.788 -35.971 64.585 1.00 0.12 H new ATOM 0 HG22 VAL A 4 -55.065 -36.117 65.007 1.00 0.12 H new ATOM 0 HG23 VAL A 4 -55.552 -35.945 63.304 1.00 0.12 H new ATOM 59 N GLU A 5 -53.646 -40.633 63.937 1.00 0.05 N ATOM 60 CA GLU A 5 -53.568 -42.106 63.742 1.00 0.06 C ATOM 61 C GLU A 5 -53.904 -42.671 65.115 1.00 0.06 C ATOM 62 O GLU A 5 -53.042 -42.889 65.950 1.00 0.20 O ATOM 63 CB GLU A 5 -52.150 -42.493 63.314 1.00 0.06 C ATOM 64 CG GLU A 5 -51.775 -41.694 62.047 1.00 1.58 C ATOM 65 CD GLU A 5 -50.350 -42.010 61.743 1.00 3.59 C ATOM 66 OE1 GLU A 5 -50.084 -43.139 61.384 1.00 6.20 O ATOM 67 OE2 GLU A 5 -49.556 -41.115 61.934 1.00 6.39 O ATOM 0 H GLU A 5 -52.903 -40.238 64.513 1.00 0.05 H new ATOM 0 HA GLU A 5 -54.238 -42.482 62.969 1.00 0.06 H new ATOM 0 HB2 GLU A 5 -51.443 -42.281 64.116 1.00 0.06 H new ATOM 0 HB3 GLU A 5 -52.095 -43.563 63.115 1.00 0.06 H new ATOM 0 HG2 GLU A 5 -52.419 -41.970 61.212 1.00 1.58 H new ATOM 0 HG3 GLU A 5 -51.907 -40.625 62.211 1.00 1.58 H new ATOM 74 N THR A 6 -55.166 -42.879 65.315 1.00 0.05 N ATOM 75 CA THR A 6 -55.626 -43.423 66.612 1.00 0.04 C ATOM 76 C THR A 6 -55.166 -44.878 66.731 1.00 0.04 C ATOM 77 O THR A 6 -54.942 -45.554 65.747 1.00 0.06 O ATOM 78 CB THR A 6 -57.153 -43.298 66.629 1.00 0.06 C ATOM 79 OG1 THR A 6 -57.359 -41.917 66.333 1.00 0.08 O ATOM 80 CG2 THR A 6 -57.746 -43.496 68.036 1.00 0.05 C ATOM 0 H THR A 6 -55.903 -42.695 64.634 1.00 0.05 H new ATOM 0 HA THR A 6 -55.210 -42.882 67.462 1.00 0.04 H new ATOM 0 HB THR A 6 -57.604 -44.029 65.958 1.00 0.06 H new ATOM 0 HG1 THR A 6 -58.320 -41.726 66.317 1.00 0.08 H new ATOM 0 HG21 THR A 6 -58.831 -43.397 67.991 1.00 0.05 H new ATOM 0 HG22 THR A 6 -57.487 -44.489 68.404 1.00 0.05 H new ATOM 0 HG23 THR A 6 -57.341 -42.742 68.711 1.00 0.05 H new ATOM 88 N ILE A 7 -55.050 -45.279 67.961 1.00 0.04 N ATOM 89 CA ILE A 7 -54.615 -46.654 68.312 1.00 0.06 C ATOM 90 C ILE A 7 -55.827 -47.198 69.065 1.00 0.05 C ATOM 91 O ILE A 7 -56.417 -48.192 68.700 1.00 0.08 O ATOM 92 CB ILE A 7 -53.357 -46.564 69.230 1.00 0.08 C ATOM 93 CG1 ILE A 7 -52.269 -45.709 68.504 1.00 0.08 C ATOM 94 CG2 ILE A 7 -52.815 -47.989 69.542 1.00 0.13 C ATOM 95 CD1 ILE A 7 -51.040 -45.507 69.417 1.00 0.00 C ATOM 0 H ILE A 7 -55.247 -44.687 68.768 1.00 0.04 H new ATOM 0 HA ILE A 7 -54.335 -47.282 67.466 1.00 0.06 H new ATOM 0 HB ILE A 7 -53.621 -46.091 70.176 1.00 0.08 H new ATOM 0 HG12 ILE A 7 -51.966 -46.203 67.581 1.00 0.08 H new ATOM 0 HG13 ILE A 7 -52.685 -44.741 68.225 1.00 0.08 H new ATOM 0 HG21 ILE A 7 -51.937 -47.912 70.183 1.00 0.13 H new ATOM 0 HG22 ILE A 7 -53.586 -48.568 70.050 1.00 0.13 H new ATOM 0 HG23 ILE A 7 -52.542 -48.486 68.611 1.00 0.13 H new ATOM 0 HD11 ILE A 7 -50.293 -44.909 68.895 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -51.344 -44.992 70.328 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -50.614 -46.477 69.674 1.00 0.00 H new ATOM 107 N SER A 8 -56.169 -46.497 70.108 1.00 0.04 N ATOM 108 CA SER A 8 -57.329 -46.909 70.942 1.00 0.05 C ATOM 109 C SER A 8 -58.277 -45.757 70.659 1.00 0.05 C ATOM 110 O SER A 8 -57.951 -44.647 71.031 1.00 0.04 O ATOM 111 CB SER A 8 -56.957 -46.935 72.446 1.00 0.07 C ATOM 112 OG SER A 8 -57.880 -47.849 73.028 1.00 1.46 O ATOM 0 H SER A 8 -55.692 -45.651 70.420 1.00 0.04 H new ATOM 0 HA SER A 8 -57.716 -47.904 70.724 1.00 0.05 H new ATOM 0 HB2 SER A 8 -55.928 -47.262 72.594 1.00 0.07 H new ATOM 0 HB3 SER A 8 -57.044 -45.945 72.893 1.00 0.07 H new ATOM 0 HG SER A 8 -57.706 -47.922 73.990 1.00 1.46 H new ATOM 118 N PRO A 9 -59.385 -45.996 70.011 1.00 0.05 N ATOM 119 CA PRO A 9 -60.504 -45.020 70.014 1.00 0.06 C ATOM 120 C PRO A 9 -60.924 -44.741 71.464 1.00 0.07 C ATOM 121 O PRO A 9 -60.523 -45.453 72.365 1.00 0.08 O ATOM 122 CB PRO A 9 -61.587 -45.699 69.160 1.00 0.09 C ATOM 123 CG PRO A 9 -60.755 -46.646 68.230 1.00 0.09 C ATOM 124 CD PRO A 9 -59.685 -47.206 69.193 1.00 0.07 C ATOM 0 HA PRO A 9 -60.264 -44.040 69.601 1.00 0.06 H new ATOM 0 HB2 PRO A 9 -62.296 -46.255 69.773 1.00 0.09 H new ATOM 0 HB3 PRO A 9 -62.163 -44.973 68.586 1.00 0.09 H new ATOM 0 HG2 PRO A 9 -61.370 -47.438 67.803 1.00 0.09 H new ATOM 0 HG3 PRO A 9 -60.307 -46.105 67.396 1.00 0.09 H new ATOM 0 HD2 PRO A 9 -60.064 -48.030 69.798 1.00 0.07 H new ATOM 0 HD3 PRO A 9 -58.806 -47.576 68.665 1.00 0.07 H new ATOM 132 N GLY A 10 -61.717 -43.730 71.631 1.00 0.07 N ATOM 133 CA GLY A 10 -62.216 -43.342 72.985 1.00 0.09 C ATOM 134 C GLY A 10 -63.713 -43.580 72.877 1.00 0.11 C ATOM 135 O GLY A 10 -64.142 -44.072 71.849 1.00 0.27 O ATOM 0 H GLY A 10 -62.053 -43.137 70.872 1.00 0.07 H new ATOM 0 HA2 GLY A 10 -61.766 -43.949 73.770 1.00 0.09 H new ATOM 0 HA3 GLY A 10 -61.988 -42.302 73.217 1.00 0.09 H new ATOM 139 N ASP A 11 -64.475 -43.239 73.887 1.00 0.10 N ATOM 140 CA ASP A 11 -65.962 -43.455 73.837 1.00 0.15 C ATOM 141 C ASP A 11 -66.512 -43.130 72.439 1.00 0.14 C ATOM 142 O ASP A 11 -67.317 -43.861 71.900 1.00 0.21 O ATOM 143 CB ASP A 11 -66.666 -42.568 74.908 1.00 0.20 C ATOM 144 CG ASP A 11 -66.907 -41.168 74.423 1.00 0.18 C ATOM 145 OD1 ASP A 11 -65.958 -40.489 74.096 1.00 1.10 O ATOM 146 OD2 ASP A 11 -68.062 -40.808 74.384 1.00 1.62 O ATOM 0 H ASP A 11 -64.132 -42.818 74.750 1.00 0.10 H new ATOM 0 HA ASP A 11 -66.166 -44.504 74.052 1.00 0.15 H new ATOM 0 HB2 ASP A 11 -67.617 -43.023 75.184 1.00 0.20 H new ATOM 0 HB3 ASP A 11 -66.054 -42.537 75.809 1.00 0.20 H new ATOM 151 N GLY A 12 -66.075 -42.027 71.900 1.00 0.12 N ATOM 152 CA GLY A 12 -66.527 -41.617 70.536 1.00 0.15 C ATOM 153 C GLY A 12 -67.475 -40.431 70.559 1.00 0.17 C ATOM 154 O GLY A 12 -67.789 -39.896 69.516 1.00 0.26 O ATOM 0 H GLY A 12 -65.420 -41.386 72.347 1.00 0.12 H new ATOM 0 HA2 GLY A 12 -65.656 -41.368 69.930 1.00 0.15 H new ATOM 0 HA3 GLY A 12 -67.020 -42.461 70.053 1.00 0.15 H new ATOM 158 N ARG A 13 -67.918 -40.033 71.714 1.00 0.14 N ATOM 159 CA ARG A 13 -68.866 -38.875 71.828 1.00 0.16 C ATOM 160 C ARG A 13 -68.387 -37.793 72.798 1.00 0.12 C ATOM 161 O ARG A 13 -68.833 -36.659 72.722 1.00 0.14 O ATOM 162 CB ARG A 13 -70.227 -39.404 72.293 1.00 0.21 C ATOM 163 CG ARG A 13 -70.786 -40.396 71.228 1.00 0.34 C ATOM 164 CD ARG A 13 -71.865 -41.298 71.855 1.00 0.79 C ATOM 165 NE ARG A 13 -71.198 -42.125 72.921 1.00 2.96 N ATOM 166 CZ ARG A 13 -71.568 -42.003 74.166 1.00 6.07 C ATOM 167 NH1 ARG A 13 -72.772 -42.420 74.472 1.00 9.68 N ATOM 168 NH2 ARG A 13 -70.715 -41.472 74.995 1.00 9.66 N ATOM 0 H ARG A 13 -67.664 -40.463 72.604 1.00 0.14 H new ATOM 0 HA ARG A 13 -68.931 -38.408 70.845 1.00 0.16 H new ATOM 0 HB2 ARG A 13 -70.126 -39.905 73.256 1.00 0.21 H new ATOM 0 HB3 ARG A 13 -70.922 -38.577 72.436 1.00 0.21 H new ATOM 0 HG2 ARG A 13 -71.208 -39.841 70.390 1.00 0.34 H new ATOM 0 HG3 ARG A 13 -69.976 -41.008 70.830 1.00 0.34 H new ATOM 0 HD2 ARG A 13 -72.667 -40.696 72.282 1.00 0.79 H new ATOM 0 HD3 ARG A 13 -72.316 -41.939 71.098 1.00 0.79 H new ATOM 0 HE ARG A 13 -70.457 -42.780 72.670 1.00 2.96 H new ATOM 0 HH11 ARG A 13 -73.373 -42.818 73.750 1.00 9.68 H new ATOM 0 HH12 ARG A 13 -73.109 -42.346 75.432 1.00 9.68 H new ATOM 0 HH21 ARG A 13 -69.799 -41.171 74.661 1.00 9.66 H new ATOM 0 HH22 ARG A 13 -70.963 -41.357 75.978 1.00 9.66 H new ATOM 182 N THR A 14 -67.499 -38.135 73.678 1.00 0.09 N ATOM 183 CA THR A 14 -67.014 -37.134 74.644 1.00 0.08 C ATOM 184 C THR A 14 -65.647 -36.603 74.217 1.00 0.06 C ATOM 185 O THR A 14 -64.642 -37.284 74.224 1.00 0.05 O ATOM 186 CB THR A 14 -66.993 -37.855 76.011 1.00 0.09 C ATOM 187 OG1 THR A 14 -68.233 -38.557 76.061 1.00 0.12 O ATOM 188 CG2 THR A 14 -67.146 -36.873 77.180 1.00 0.11 C ATOM 0 H THR A 14 -67.090 -39.065 73.768 1.00 0.09 H new ATOM 0 HA THR A 14 -67.653 -36.253 74.700 1.00 0.08 H new ATOM 0 HB THR A 14 -66.071 -38.431 76.093 1.00 0.09 H new ATOM 0 HG1 THR A 14 -68.138 -39.422 75.610 1.00 0.12 H new ATOM 0 HG21 THR A 14 -67.126 -37.422 78.121 1.00 0.11 H new ATOM 0 HG22 THR A 14 -66.326 -36.155 77.161 1.00 0.11 H new ATOM 0 HG23 THR A 14 -68.095 -36.344 77.089 1.00 0.11 H new ATOM 196 N PHE A 15 -65.655 -35.361 73.841 1.00 0.06 N ATOM 197 CA PHE A 15 -64.417 -34.665 73.393 1.00 0.05 C ATOM 198 C PHE A 15 -64.346 -33.402 74.243 1.00 0.07 C ATOM 199 O PHE A 15 -65.330 -33.082 74.896 1.00 0.10 O ATOM 200 CB PHE A 15 -64.522 -34.272 71.925 1.00 0.07 C ATOM 201 CG PHE A 15 -64.737 -35.509 71.061 1.00 0.08 C ATOM 202 CD1 PHE A 15 -65.927 -36.215 71.106 1.00 1.21 C ATOM 203 CD2 PHE A 15 -63.734 -35.918 70.206 1.00 1.77 C ATOM 204 CE1 PHE A 15 -66.095 -37.314 70.296 1.00 1.12 C ATOM 205 CE2 PHE A 15 -63.909 -37.020 69.399 1.00 1.95 C ATOM 206 CZ PHE A 15 -65.092 -37.721 69.443 1.00 0.16 C ATOM 0 H PHE A 15 -66.492 -34.779 73.824 1.00 0.06 H new ATOM 0 HA PHE A 15 -63.539 -35.302 73.501 1.00 0.05 H new ATOM 0 HB2 PHE A 15 -65.348 -33.575 71.786 1.00 0.07 H new ATOM 0 HB3 PHE A 15 -63.614 -33.756 71.614 1.00 0.07 H new ATOM 0 HD1 PHE A 15 -66.718 -35.905 71.773 1.00 1.21 H new ATOM 0 HD2 PHE A 15 -62.804 -35.369 70.169 1.00 1.77 H new ATOM 0 HE1 PHE A 15 -67.024 -37.864 70.329 1.00 1.12 H new ATOM 0 HE2 PHE A 15 -63.119 -37.333 68.733 1.00 1.95 H new ATOM 0 HZ PHE A 15 -65.234 -38.586 68.812 1.00 0.16 H new ATOM 216 N PRO A 16 -63.227 -32.717 74.223 1.00 0.07 N ATOM 217 CA PRO A 16 -63.077 -31.440 74.970 1.00 0.11 C ATOM 218 C PRO A 16 -64.090 -30.420 74.450 1.00 0.15 C ATOM 219 O PRO A 16 -64.619 -30.565 73.364 1.00 0.24 O ATOM 220 CB PRO A 16 -61.615 -31.023 74.733 1.00 0.13 C ATOM 221 CG PRO A 16 -60.906 -32.374 74.362 1.00 0.08 C ATOM 222 CD PRO A 16 -61.970 -33.089 73.499 1.00 0.06 C ATOM 0 HA PRO A 16 -63.277 -31.525 76.038 1.00 0.11 H new ATOM 0 HB2 PRO A 16 -61.531 -30.291 73.929 1.00 0.13 H new ATOM 0 HB3 PRO A 16 -61.177 -30.571 75.623 1.00 0.13 H new ATOM 0 HG2 PRO A 16 -59.981 -32.208 73.809 1.00 0.08 H new ATOM 0 HG3 PRO A 16 -60.648 -32.953 75.249 1.00 0.08 H new ATOM 0 HD2 PRO A 16 -61.969 -32.736 72.468 1.00 0.06 H new ATOM 0 HD3 PRO A 16 -61.817 -34.168 73.467 1.00 0.06 H new ATOM 230 N LYS A 17 -64.346 -29.413 75.232 1.00 0.14 N ATOM 231 CA LYS A 17 -65.294 -28.370 74.838 1.00 0.20 C ATOM 232 C LYS A 17 -64.603 -27.042 75.093 1.00 0.17 C ATOM 233 O LYS A 17 -63.630 -26.963 75.822 1.00 0.17 O ATOM 234 CB LYS A 17 -66.523 -28.526 75.691 1.00 0.33 C ATOM 235 CG LYS A 17 -67.110 -29.942 75.427 1.00 0.50 C ATOM 236 CD LYS A 17 -68.446 -30.151 76.179 1.00 1.25 C ATOM 237 CE LYS A 17 -68.952 -31.579 75.856 1.00 2.22 C ATOM 238 NZ LYS A 17 -69.036 -31.771 74.373 1.00 4.98 N ATOM 0 H LYS A 17 -63.921 -29.277 76.149 1.00 0.14 H new ATOM 0 HA LYS A 17 -65.592 -28.431 73.791 1.00 0.20 H new ATOM 0 HB2 LYS A 17 -66.274 -28.407 76.745 1.00 0.33 H new ATOM 0 HB3 LYS A 17 -67.257 -27.757 75.448 1.00 0.33 H new ATOM 0 HG2 LYS A 17 -67.268 -30.078 74.357 1.00 0.50 H new ATOM 0 HG3 LYS A 17 -66.392 -30.699 75.742 1.00 0.50 H new ATOM 0 HD2 LYS A 17 -68.303 -30.030 77.253 1.00 1.25 H new ATOM 0 HD3 LYS A 17 -69.179 -29.407 75.869 1.00 1.25 H new ATOM 0 HE2 LYS A 17 -68.278 -32.319 76.289 1.00 2.22 H new ATOM 0 HE3 LYS A 17 -69.932 -31.737 76.307 1.00 2.22 H new ATOM 0 HZ1 LYS A 17 -69.828 -32.407 74.150 1.00 4.98 H new ATOM 0 HZ2 LYS A 17 -69.189 -30.851 73.912 1.00 4.98 H new ATOM 0 HZ3 LYS A 17 -68.149 -32.188 74.026 1.00 4.98 H new ATOM 252 N ARG A 18 -65.161 -26.042 74.489 1.00 0.22 N ATOM 253 CA ARG A 18 -64.638 -24.675 74.610 1.00 0.24 C ATOM 254 C ARG A 18 -64.891 -24.254 76.049 1.00 0.25 C ATOM 255 O ARG A 18 -66.024 -23.989 76.393 1.00 0.44 O ATOM 256 CB ARG A 18 -65.397 -23.748 73.634 1.00 0.36 C ATOM 257 CG ARG A 18 -65.145 -24.191 72.164 1.00 2.18 C ATOM 258 CD ARG A 18 -66.165 -23.494 71.229 1.00 2.87 C ATOM 259 NE ARG A 18 -66.264 -22.043 71.607 1.00 5.52 N ATOM 260 CZ ARG A 18 -65.979 -21.131 70.719 1.00 8.81 C ATOM 261 NH1 ARG A 18 -66.909 -20.846 69.844 1.00 12.72 N ATOM 262 NH2 ARG A 18 -64.792 -20.584 70.773 1.00 12.48 N ATOM 0 H ARG A 18 -65.987 -26.125 73.897 1.00 0.22 H new ATOM 0 HA ARG A 18 -63.577 -24.618 74.367 1.00 0.24 H new ATOM 0 HB2 ARG A 18 -66.465 -23.775 73.851 1.00 0.36 H new ATOM 0 HB3 ARG A 18 -65.070 -22.717 73.772 1.00 0.36 H new ATOM 0 HG2 ARG A 18 -64.129 -23.935 71.865 1.00 2.18 H new ATOM 0 HG3 ARG A 18 -65.239 -25.274 72.079 1.00 2.18 H new ATOM 0 HD2 ARG A 18 -65.851 -23.592 70.190 1.00 2.87 H new ATOM 0 HD3 ARG A 18 -67.141 -23.972 71.313 1.00 2.87 H new ATOM 0 HE ARG A 18 -66.551 -21.774 72.548 1.00 5.52 H new ATOM 0 HH11 ARG A 18 -67.806 -21.330 69.878 1.00 12.72 H new ATOM 0 HH12 ARG A 18 -66.737 -20.140 69.128 1.00 12.72 H new ATOM 0 HH21 ARG A 18 -64.129 -20.875 71.491 1.00 12.48 H new ATOM 0 HH22 ARG A 18 -64.530 -19.867 70.097 1.00 12.48 H new ATOM 276 N GLY A 19 -63.861 -24.210 76.837 1.00 0.23 N ATOM 277 CA GLY A 19 -64.034 -23.805 78.263 1.00 0.27 C ATOM 278 C GLY A 19 -63.536 -24.908 79.172 1.00 0.22 C ATOM 279 O GLY A 19 -63.451 -24.709 80.365 1.00 0.31 O ATOM 0 H GLY A 19 -62.905 -24.436 76.561 1.00 0.23 H new ATOM 0 HA2 GLY A 19 -63.485 -22.884 78.458 1.00 0.27 H new ATOM 0 HA3 GLY A 19 -65.085 -23.599 78.467 1.00 0.27 H new ATOM 283 N GLN A 20 -63.215 -26.036 78.600 1.00 0.19 N ATOM 284 CA GLN A 20 -62.714 -27.176 79.432 1.00 0.18 C ATOM 285 C GLN A 20 -61.219 -27.230 79.258 1.00 0.10 C ATOM 286 O GLN A 20 -60.676 -26.629 78.346 1.00 0.11 O ATOM 287 CB GLN A 20 -63.247 -28.526 78.944 1.00 0.29 C ATOM 288 CG GLN A 20 -64.762 -28.576 79.081 1.00 0.47 C ATOM 289 CD GLN A 20 -65.195 -28.879 80.518 1.00 0.49 C ATOM 290 OE1 GLN A 20 -64.387 -29.497 81.325 1.00 2.84 O flip ATOM 291 NE2 GLN A 20 -66.295 -28.551 80.902 1.00 1.04 N flip ATOM 0 H GLN A 20 -63.276 -26.221 77.599 1.00 0.19 H new ATOM 0 HA GLN A 20 -63.036 -27.014 80.461 1.00 0.18 H new ATOM 0 HB2 GLN A 20 -62.964 -28.682 77.903 1.00 0.29 H new ATOM 0 HB3 GLN A 20 -62.796 -29.333 79.521 1.00 0.29 H new ATOM 0 HG2 GLN A 20 -65.187 -27.622 78.767 1.00 0.47 H new ATOM 0 HG3 GLN A 20 -65.162 -29.338 78.413 1.00 0.47 H new ATOM 0 HE21 GLN A 20 -66.932 -28.065 80.270 1.00 1.04 H new ATOM 0 HE22 GLN A 20 -66.585 -28.760 81.857 1.00 1.04 H new ATOM 300 N THR A 21 -60.632 -27.973 80.131 1.00 0.09 N ATOM 301 CA THR A 21 -59.170 -28.139 80.093 1.00 0.07 C ATOM 302 C THR A 21 -59.093 -29.591 79.597 1.00 0.12 C ATOM 303 O THR A 21 -60.034 -30.358 79.728 1.00 0.53 O ATOM 304 CB THR A 21 -58.627 -27.975 81.520 1.00 0.10 C ATOM 305 OG1 THR A 21 -59.316 -26.841 82.035 1.00 0.15 O ATOM 306 CG2 THR A 21 -57.158 -27.502 81.545 1.00 0.13 C ATOM 0 H THR A 21 -61.107 -28.479 80.879 1.00 0.09 H new ATOM 0 HA THR A 21 -58.601 -27.438 79.482 1.00 0.07 H new ATOM 0 HB THR A 21 -58.736 -28.924 82.045 1.00 0.10 H new ATOM 0 HG1 THR A 21 -60.166 -27.126 82.430 1.00 0.15 H new ATOM 0 HG21 THR A 21 -56.825 -27.403 82.578 1.00 0.13 H new ATOM 0 HG22 THR A 21 -56.532 -28.231 81.031 1.00 0.13 H new ATOM 0 HG23 THR A 21 -57.078 -26.537 81.044 1.00 0.13 H new ATOM 314 N CYS A 22 -57.982 -29.943 79.038 1.00 0.06 N ATOM 315 CA CYS A 22 -57.781 -31.323 78.519 1.00 0.04 C ATOM 316 C CYS A 22 -56.668 -31.810 79.419 1.00 0.04 C ATOM 317 O CYS A 22 -55.866 -30.996 79.839 1.00 0.07 O ATOM 318 CB CYS A 22 -57.317 -31.265 77.059 1.00 0.05 C ATOM 319 SG CYS A 22 -58.372 -30.370 75.892 1.00 0.16 S ATOM 0 H CYS A 22 -57.182 -29.322 78.913 1.00 0.06 H new ATOM 0 HA CYS A 22 -58.669 -31.955 78.527 1.00 0.04 H new ATOM 0 HB2 CYS A 22 -56.327 -30.810 77.037 1.00 0.05 H new ATOM 0 HB3 CYS A 22 -57.206 -32.288 76.699 1.00 0.05 H new ATOM 0 HG CYS A 22 -57.841 -30.412 74.706 1.00 0.16 H new ATOM 325 N VAL A 23 -56.653 -33.079 79.684 1.00 0.04 N ATOM 326 CA VAL A 23 -55.621 -33.694 80.549 1.00 0.04 C ATOM 327 C VAL A 23 -55.103 -34.760 79.611 1.00 0.04 C ATOM 328 O VAL A 23 -55.830 -35.697 79.313 1.00 0.06 O ATOM 329 CB VAL A 23 -56.334 -34.248 81.802 1.00 0.05 C ATOM 330 CG1 VAL A 23 -55.342 -34.939 82.740 1.00 0.06 C ATOM 331 CG2 VAL A 23 -57.030 -33.060 82.517 1.00 0.09 C ATOM 0 H VAL A 23 -57.341 -33.740 79.322 1.00 0.04 H new ATOM 0 HA VAL A 23 -54.823 -33.060 80.934 1.00 0.04 H new ATOM 0 HB VAL A 23 -57.070 -34.997 81.510 1.00 0.05 H new ATOM 0 HG11 VAL A 23 -55.872 -35.319 83.613 1.00 0.06 H new ATOM 0 HG12 VAL A 23 -54.863 -35.767 82.217 1.00 0.06 H new ATOM 0 HG13 VAL A 23 -54.584 -34.224 83.058 1.00 0.06 H new ATOM 0 HG21 VAL A 23 -57.543 -33.422 83.408 1.00 0.09 H new ATOM 0 HG22 VAL A 23 -56.283 -32.320 82.804 1.00 0.09 H new ATOM 0 HG23 VAL A 23 -57.753 -32.603 81.842 1.00 0.09 H new ATOM 341 N VAL A 24 -53.887 -34.569 79.183 1.00 0.04 N ATOM 342 CA VAL A 24 -53.250 -35.520 78.247 1.00 0.05 C ATOM 343 C VAL A 24 -51.896 -36.049 78.724 1.00 0.05 C ATOM 344 O VAL A 24 -51.179 -35.380 79.445 1.00 0.06 O ATOM 345 CB VAL A 24 -53.067 -34.793 76.901 1.00 0.06 C ATOM 346 CG1 VAL A 24 -54.425 -34.263 76.401 1.00 0.09 C ATOM 347 CG2 VAL A 24 -52.123 -33.538 77.043 1.00 0.06 C ATOM 0 H VAL A 24 -53.302 -33.778 79.451 1.00 0.04 H new ATOM 0 HA VAL A 24 -53.899 -36.392 78.166 1.00 0.05 H new ATOM 0 HB VAL A 24 -52.633 -35.515 76.210 1.00 0.06 H new ATOM 0 HG11 VAL A 24 -54.287 -33.750 75.449 1.00 0.09 H new ATOM 0 HG12 VAL A 24 -55.114 -35.097 76.268 1.00 0.09 H new ATOM 0 HG13 VAL A 24 -54.835 -33.566 77.132 1.00 0.09 H new ATOM 0 HG21 VAL A 24 -52.017 -33.051 76.074 1.00 0.06 H new ATOM 0 HG22 VAL A 24 -52.555 -32.837 77.757 1.00 0.06 H new ATOM 0 HG23 VAL A 24 -51.143 -33.858 77.397 1.00 0.06 H new ATOM 357 N HIS A 25 -51.587 -37.234 78.288 1.00 0.06 N ATOM 358 CA HIS A 25 -50.294 -37.893 78.646 1.00 0.08 C ATOM 359 C HIS A 25 -49.771 -38.105 77.244 1.00 0.07 C ATOM 360 O HIS A 25 -50.496 -38.666 76.439 1.00 0.20 O ATOM 361 CB HIS A 25 -50.415 -39.294 79.252 1.00 0.13 C ATOM 362 CG HIS A 25 -49.021 -39.735 79.722 1.00 0.29 C ATOM 363 ND1 HIS A 25 -47.896 -39.594 79.083 1.00 1.81 N ATOM 364 CD2 HIS A 25 -48.667 -40.373 80.899 1.00 1.40 C ATOM 365 CE1 HIS A 25 -46.939 -40.102 79.796 1.00 1.79 C ATOM 366 NE2 HIS A 25 -47.369 -40.593 80.929 1.00 1.35 N ATOM 0 H HIS A 25 -52.189 -37.792 77.682 1.00 0.06 H new ATOM 0 HA HIS A 25 -49.729 -37.312 79.375 1.00 0.08 H new ATOM 0 HB2 HIS A 25 -51.114 -39.287 80.088 1.00 0.13 H new ATOM 0 HB3 HIS A 25 -50.807 -39.995 78.515 1.00 0.13 H new ATOM 0 HD2 HIS A 25 -49.358 -40.651 81.681 1.00 1.40 H new ATOM 0 HE1 HIS A 25 -45.904 -40.118 79.489 1.00 1.79 H new ATOM 0 HE2 HIS A 25 -46.825 -41.042 81.666 1.00 1.35 H new ATOM 374 N TYR A 26 -48.586 -37.667 76.949 1.00 0.04 N ATOM 375 CA TYR A 26 -48.064 -37.873 75.584 1.00 0.04 C ATOM 376 C TYR A 26 -46.577 -38.096 75.526 1.00 0.05 C ATOM 377 O TYR A 26 -45.841 -37.907 76.480 1.00 0.06 O ATOM 378 CB TYR A 26 -48.381 -36.663 74.735 1.00 0.05 C ATOM 379 CG TYR A 26 -47.679 -35.427 75.333 1.00 0.08 C ATOM 380 CD1 TYR A 26 -48.322 -34.677 76.304 1.00 1.61 C ATOM 381 CD2 TYR A 26 -46.412 -35.032 74.910 1.00 1.40 C ATOM 382 CE1 TYR A 26 -47.720 -33.559 76.832 1.00 1.67 C ATOM 383 CE2 TYR A 26 -45.821 -33.909 75.451 1.00 1.48 C ATOM 384 CZ TYR A 26 -46.467 -33.164 76.410 1.00 0.22 C ATOM 385 OH TYR A 26 -45.874 -32.037 76.934 1.00 0.33 O ATOM 0 H TYR A 26 -47.962 -37.179 77.591 1.00 0.04 H new ATOM 0 HA TYR A 26 -48.549 -38.776 75.214 1.00 0.04 H new ATOM 0 HB2 TYR A 26 -48.047 -36.825 73.710 1.00 0.05 H new ATOM 0 HB3 TYR A 26 -49.458 -36.502 74.698 1.00 0.05 H new ATOM 0 HD1 TYR A 26 -49.302 -34.972 76.649 1.00 1.61 H new ATOM 0 HD2 TYR A 26 -45.892 -35.606 74.157 1.00 1.40 H new ATOM 0 HE1 TYR A 26 -48.235 -32.983 77.587 1.00 1.67 H new ATOM 0 HE2 TYR A 26 -44.838 -33.611 75.117 1.00 1.48 H new ATOM 0 HH TYR A 26 -44.993 -31.910 76.523 1.00 0.33 H new ATOM 395 N THR A 27 -46.211 -38.483 74.353 1.00 0.06 N ATOM 396 CA THR A 27 -44.810 -38.747 74.041 1.00 0.08 C ATOM 397 C THR A 27 -44.678 -37.861 72.797 1.00 0.09 C ATOM 398 O THR A 27 -45.512 -37.927 71.921 1.00 0.10 O ATOM 399 CB THR A 27 -44.664 -40.230 73.733 1.00 0.12 C ATOM 400 OG1 THR A 27 -45.385 -40.886 74.774 1.00 0.15 O ATOM 401 CG2 THR A 27 -43.211 -40.675 73.970 1.00 0.13 C ATOM 0 H THR A 27 -46.853 -38.631 73.574 1.00 0.06 H new ATOM 0 HA THR A 27 -44.064 -38.540 74.808 1.00 0.08 H new ATOM 0 HB THR A 27 -44.986 -40.441 72.713 1.00 0.12 H new ATOM 0 HG1 THR A 27 -45.339 -41.856 74.643 1.00 0.15 H new ATOM 0 HG21 THR A 27 -43.115 -41.738 73.747 1.00 0.13 H new ATOM 0 HG22 THR A 27 -42.546 -40.107 73.320 1.00 0.13 H new ATOM 0 HG23 THR A 27 -42.941 -40.497 75.011 1.00 0.13 H new ATOM 409 N GLY A 28 -43.683 -37.040 72.753 1.00 0.15 N ATOM 410 CA GLY A 28 -43.439 -36.139 71.593 1.00 0.19 C ATOM 411 C GLY A 28 -42.097 -36.662 71.133 1.00 0.22 C ATOM 412 O GLY A 28 -41.103 -36.468 71.816 1.00 0.37 O ATOM 0 H GLY A 28 -42.996 -36.947 73.501 1.00 0.15 H new ATOM 0 HA2 GLY A 28 -44.207 -36.230 70.825 1.00 0.19 H new ATOM 0 HA3 GLY A 28 -43.400 -35.089 71.882 1.00 0.19 H new ATOM 416 N MET A 29 -42.078 -37.314 70.010 1.00 0.23 N ATOM 417 CA MET A 29 -40.834 -37.890 69.447 1.00 0.25 C ATOM 418 C MET A 29 -40.683 -37.254 68.081 1.00 0.18 C ATOM 419 O MET A 29 -41.611 -36.659 67.561 1.00 0.34 O ATOM 420 CB MET A 29 -41.012 -39.433 69.366 1.00 0.36 C ATOM 421 CG MET A 29 -39.722 -40.146 68.913 1.00 1.23 C ATOM 422 SD MET A 29 -39.759 -41.956 68.937 1.00 3.22 S ATOM 423 CE MET A 29 -39.370 -42.235 70.684 1.00 3.79 C ATOM 0 H MET A 29 -42.907 -37.477 69.438 1.00 0.23 H new ATOM 0 HA MET A 29 -39.943 -37.699 70.046 1.00 0.25 H new ATOM 0 HB2 MET A 29 -41.312 -39.814 70.342 1.00 0.36 H new ATOM 0 HB3 MET A 29 -41.818 -39.668 68.671 1.00 0.36 H new ATOM 0 HG2 MET A 29 -39.489 -39.821 67.899 1.00 1.23 H new ATOM 0 HG3 MET A 29 -38.904 -39.811 69.551 1.00 1.23 H new ATOM 0 HE1 MET A 29 -39.349 -43.306 70.886 1.00 3.79 H new ATOM 0 HE2 MET A 29 -38.395 -41.804 70.913 1.00 3.79 H new ATOM 0 HE3 MET A 29 -40.131 -41.763 71.306 1.00 3.79 H new ATOM 433 N LEU A 30 -39.518 -37.406 67.539 1.00 0.44 N ATOM 434 CA LEU A 30 -39.234 -36.828 66.204 1.00 0.44 C ATOM 435 C LEU A 30 -39.111 -37.995 65.276 1.00 0.58 C ATOM 436 O LEU A 30 -38.624 -39.032 65.679 1.00 1.27 O ATOM 437 CB LEU A 30 -37.914 -36.082 66.216 1.00 0.46 C ATOM 438 CG LEU A 30 -37.942 -35.087 67.428 1.00 0.45 C ATOM 439 CD1 LEU A 30 -36.537 -34.500 67.672 1.00 0.72 C ATOM 440 CD2 LEU A 30 -38.919 -33.925 67.137 1.00 0.79 C ATOM 0 H LEU A 30 -38.741 -37.910 67.966 1.00 0.44 H new ATOM 0 HA LEU A 30 -40.017 -36.130 65.907 1.00 0.44 H new ATOM 0 HB2 LEU A 30 -37.081 -36.779 66.312 1.00 0.46 H new ATOM 0 HB3 LEU A 30 -37.771 -35.542 65.280 1.00 0.46 H new ATOM 0 HG LEU A 30 -38.269 -35.635 68.312 1.00 0.45 H new ATOM 0 HD11 LEU A 30 -36.572 -33.811 68.516 1.00 0.72 H new ATOM 0 HD12 LEU A 30 -35.838 -35.307 67.891 1.00 0.72 H new ATOM 0 HD13 LEU A 30 -36.206 -33.966 66.781 1.00 0.72 H new ATOM 0 HD21 LEU A 30 -38.932 -33.239 67.984 1.00 0.79 H new ATOM 0 HD22 LEU A 30 -38.594 -33.392 66.244 1.00 0.79 H new ATOM 0 HD23 LEU A 30 -39.921 -34.323 66.978 1.00 0.79 H new ATOM 452 N GLU A 31 -39.543 -37.731 64.087 1.00 0.57 N ATOM 453 CA GLU A 31 -39.545 -38.693 62.965 1.00 0.96 C ATOM 454 C GLU A 31 -38.608 -39.885 63.127 1.00 1.01 C ATOM 455 O GLU A 31 -39.053 -41.016 63.120 1.00 2.22 O ATOM 456 CB GLU A 31 -39.184 -37.894 61.707 1.00 2.03 C ATOM 457 CG GLU A 31 -40.133 -36.680 61.563 1.00 2.67 C ATOM 458 CD GLU A 31 -39.624 -35.830 60.411 1.00 4.62 C ATOM 459 OE1 GLU A 31 -39.635 -36.336 59.313 1.00 6.80 O ATOM 460 OE2 GLU A 31 -39.262 -34.713 60.719 1.00 7.77 O ATOM 0 H GLU A 31 -39.922 -36.819 63.832 1.00 0.57 H new ATOM 0 HA GLU A 31 -40.535 -39.147 62.913 1.00 0.96 H new ATOM 0 HB2 GLU A 31 -38.150 -37.553 61.766 1.00 2.03 H new ATOM 0 HB3 GLU A 31 -39.259 -38.532 60.826 1.00 2.03 H new ATOM 0 HG2 GLU A 31 -41.153 -37.013 61.371 1.00 2.67 H new ATOM 0 HG3 GLU A 31 -40.155 -36.100 62.486 1.00 2.67 H new ATOM 467 N ASP A 32 -37.355 -39.574 63.270 1.00 0.92 N ATOM 468 CA ASP A 32 -36.309 -40.634 63.423 1.00 1.90 C ATOM 469 C ASP A 32 -35.225 -40.308 64.443 1.00 1.54 C ATOM 470 O ASP A 32 -34.171 -40.915 64.378 1.00 2.53 O ATOM 471 CB ASP A 32 -35.637 -40.830 62.063 1.00 4.59 C ATOM 472 CG ASP A 32 -34.958 -39.517 61.604 1.00 5.87 C ATOM 473 OD1 ASP A 32 -35.099 -38.495 62.277 1.00 8.38 O ATOM 474 OD2 ASP A 32 -34.325 -39.616 60.570 1.00 7.73 O ATOM 0 H ASP A 32 -36.999 -38.618 63.289 1.00 0.92 H new ATOM 0 HA ASP A 32 -36.818 -41.527 63.785 1.00 1.90 H new ATOM 0 HB2 ASP A 32 -34.896 -41.627 62.127 1.00 4.59 H new ATOM 0 HB3 ASP A 32 -36.377 -41.142 61.326 1.00 4.59 H new ATOM 479 N GLY A 33 -35.440 -39.414 65.371 1.00 1.29 N ATOM 480 CA GLY A 33 -34.316 -39.142 66.317 1.00 2.84 C ATOM 481 C GLY A 33 -34.607 -39.452 67.753 1.00 1.81 C ATOM 482 O GLY A 33 -34.139 -40.439 68.280 1.00 2.06 O ATOM 0 H GLY A 33 -36.299 -38.883 65.514 1.00 1.29 H new ATOM 0 HA2 GLY A 33 -33.449 -39.724 66.004 1.00 2.84 H new ATOM 0 HA3 GLY A 33 -34.040 -38.091 66.237 1.00 2.84 H new ATOM 486 N LYS A 34 -35.371 -38.615 68.388 1.00 1.19 N ATOM 487 CA LYS A 34 -35.664 -38.895 69.818 1.00 1.10 C ATOM 488 C LYS A 34 -36.896 -38.154 70.308 1.00 0.94 C ATOM 489 O LYS A 34 -37.653 -37.593 69.541 1.00 1.45 O ATOM 490 CB LYS A 34 -34.402 -38.506 70.678 1.00 1.57 C ATOM 491 CG LYS A 34 -33.994 -36.996 70.575 1.00 2.85 C ATOM 492 CD LYS A 34 -33.288 -36.653 69.228 1.00 4.49 C ATOM 493 CE LYS A 34 -32.625 -35.250 69.347 1.00 9.11 C ATOM 494 NZ LYS A 34 -31.630 -35.257 70.469 1.00 11.87 N ATOM 0 H LYS A 34 -35.795 -37.774 67.996 1.00 1.19 H new ATOM 0 HA LYS A 34 -35.879 -39.958 69.926 1.00 1.10 H new ATOM 0 HB2 LYS A 34 -34.600 -38.747 71.722 1.00 1.57 H new ATOM 0 HB3 LYS A 34 -33.559 -39.121 70.364 1.00 1.57 H new ATOM 0 HG2 LYS A 34 -34.884 -36.376 70.682 1.00 2.85 H new ATOM 0 HG3 LYS A 34 -33.330 -36.746 71.402 1.00 2.85 H new ATOM 0 HD2 LYS A 34 -32.536 -37.406 68.995 1.00 4.49 H new ATOM 0 HD3 LYS A 34 -34.010 -36.660 68.412 1.00 4.49 H new ATOM 0 HE2 LYS A 34 -32.131 -34.990 68.411 1.00 9.11 H new ATOM 0 HE3 LYS A 34 -33.386 -34.491 69.527 1.00 9.11 H new ATOM 0 HZ1 LYS A 34 -30.773 -34.747 70.176 1.00 11.87 H new ATOM 0 HZ2 LYS A 34 -32.043 -34.790 71.302 1.00 11.87 H new ATOM 0 HZ3 LYS A 34 -31.384 -36.239 70.709 1.00 11.87 H new ATOM 508 N LYS A 35 -37.023 -38.194 71.600 1.00 0.76 N ATOM 509 CA LYS A 35 -38.139 -37.544 72.331 1.00 0.57 C ATOM 510 C LYS A 35 -37.636 -36.157 72.656 1.00 0.51 C ATOM 511 O LYS A 35 -36.491 -35.982 73.035 1.00 0.75 O ATOM 512 CB LYS A 35 -38.441 -38.333 73.629 1.00 0.62 C ATOM 513 CG LYS A 35 -37.116 -38.628 74.398 1.00 1.93 C ATOM 514 CD LYS A 35 -37.432 -39.173 75.812 1.00 2.72 C ATOM 515 CE LYS A 35 -36.105 -39.311 76.594 1.00 5.43 C ATOM 516 NZ LYS A 35 -35.367 -38.003 76.598 1.00 9.51 N ATOM 0 H LYS A 35 -36.363 -38.677 72.209 1.00 0.76 H new ATOM 0 HA LYS A 35 -39.061 -37.514 71.750 1.00 0.57 H new ATOM 0 HB2 LYS A 35 -39.118 -37.760 74.263 1.00 0.62 H new ATOM 0 HB3 LYS A 35 -38.946 -39.268 73.386 1.00 0.62 H new ATOM 0 HG2 LYS A 35 -36.519 -39.353 73.845 1.00 1.93 H new ATOM 0 HG3 LYS A 35 -36.521 -37.718 74.475 1.00 1.93 H new ATOM 0 HD2 LYS A 35 -38.111 -38.499 76.334 1.00 2.72 H new ATOM 0 HD3 LYS A 35 -37.933 -40.139 75.742 1.00 2.72 H new ATOM 0 HE2 LYS A 35 -36.309 -39.625 77.618 1.00 5.43 H new ATOM 0 HE3 LYS A 35 -35.486 -40.085 76.140 1.00 5.43 H new ATOM 0 HZ1 LYS A 35 -34.752 -37.954 77.435 1.00 9.51 H new ATOM 0 HZ2 LYS A 35 -34.787 -37.929 75.738 1.00 9.51 H new ATOM 0 HZ3 LYS A 35 -36.050 -37.219 76.624 1.00 9.51 H new ATOM 530 N PHE A 36 -38.521 -35.234 72.486 1.00 0.34 N ATOM 531 CA PHE A 36 -38.219 -33.807 72.758 1.00 0.32 C ATOM 532 C PHE A 36 -39.340 -33.291 73.653 1.00 0.28 C ATOM 533 O PHE A 36 -39.079 -32.551 74.579 1.00 0.43 O ATOM 534 CB PHE A 36 -38.165 -32.997 71.415 1.00 0.29 C ATOM 535 CG PHE A 36 -39.529 -32.971 70.711 1.00 0.18 C ATOM 536 CD1 PHE A 36 -40.056 -34.122 70.154 1.00 1.84 C ATOM 537 CD2 PHE A 36 -40.263 -31.801 70.638 1.00 1.27 C ATOM 538 CE1 PHE A 36 -41.291 -34.097 69.548 1.00 1.65 C ATOM 539 CE2 PHE A 36 -41.486 -31.787 70.030 1.00 1.42 C ATOM 540 CZ PHE A 36 -41.998 -32.929 69.491 1.00 0.16 C ATOM 0 H PHE A 36 -39.472 -35.409 72.160 1.00 0.34 H new ATOM 0 HA PHE A 36 -37.249 -33.692 73.243 1.00 0.32 H new ATOM 0 HB2 PHE A 36 -37.841 -31.976 71.619 1.00 0.29 H new ATOM 0 HB3 PHE A 36 -37.422 -33.441 70.752 1.00 0.29 H new ATOM 0 HD1 PHE A 36 -39.496 -35.044 70.195 1.00 1.84 H new ATOM 0 HD2 PHE A 36 -39.866 -30.892 71.065 1.00 1.27 H new ATOM 0 HE1 PHE A 36 -41.701 -34.999 69.118 1.00 1.65 H new ATOM 0 HE2 PHE A 36 -42.049 -30.867 69.976 1.00 1.42 H new ATOM 0 HZ PHE A 36 -42.968 -32.911 69.016 1.00 0.16 H new ATOM 550 N ASP A 37 -40.537 -33.721 73.348 1.00 0.27 N ATOM 551 CA ASP A 37 -41.753 -33.299 74.125 1.00 0.30 C ATOM 552 C ASP A 37 -42.337 -34.508 74.849 1.00 0.27 C ATOM 553 O ASP A 37 -43.131 -35.212 74.268 1.00 0.58 O ATOM 554 CB ASP A 37 -42.831 -32.732 73.156 1.00 0.35 C ATOM 555 CG ASP A 37 -43.160 -31.280 73.474 1.00 0.94 C ATOM 556 OD1 ASP A 37 -43.580 -31.102 74.608 1.00 2.66 O ATOM 557 OD2 ASP A 37 -42.981 -30.461 72.577 1.00 2.02 O ATOM 0 H ASP A 37 -40.732 -34.361 72.578 1.00 0.27 H new ATOM 0 HA ASP A 37 -41.465 -32.532 74.844 1.00 0.30 H new ATOM 0 HB2 ASP A 37 -42.475 -32.809 72.129 1.00 0.35 H new ATOM 0 HB3 ASP A 37 -43.737 -33.335 73.225 1.00 0.35 H new ATOM 562 N SER A 38 -41.997 -34.821 76.063 1.00 0.24 N ATOM 563 CA SER A 38 -42.632 -36.038 76.699 1.00 0.29 C ATOM 564 C SER A 38 -43.285 -35.607 78.016 1.00 0.44 C ATOM 565 O SER A 38 -42.749 -34.723 78.654 1.00 1.00 O ATOM 566 CB SER A 38 -41.541 -37.076 76.950 1.00 0.46 C ATOM 567 OG SER A 38 -40.779 -37.111 75.741 1.00 0.45 O ATOM 0 H SER A 38 -41.328 -34.313 76.642 1.00 0.24 H new ATOM 0 HA SER A 38 -43.392 -36.474 76.051 1.00 0.29 H new ATOM 0 HB2 SER A 38 -40.919 -36.797 77.801 1.00 0.46 H new ATOM 0 HB3 SER A 38 -41.970 -38.053 77.175 1.00 0.46 H new ATOM 0 HG SER A 38 -39.964 -36.578 75.852 1.00 0.45 H new ATOM 573 N SER A 39 -44.365 -36.226 78.410 1.00 0.35 N ATOM 574 CA SER A 39 -45.039 -35.840 79.671 1.00 0.53 C ATOM 575 C SER A 39 -44.783 -36.884 80.741 1.00 0.94 C ATOM 576 O SER A 39 -45.643 -37.676 81.081 1.00 2.02 O ATOM 577 CB SER A 39 -46.552 -35.714 79.426 1.00 0.58 C ATOM 578 OG SER A 39 -46.977 -36.990 78.948 1.00 0.86 O ATOM 0 H SER A 39 -44.810 -36.991 77.902 1.00 0.35 H new ATOM 0 HA SER A 39 -44.642 -34.883 80.008 1.00 0.53 H new ATOM 0 HB2 SER A 39 -47.076 -35.446 80.344 1.00 0.58 H new ATOM 0 HB3 SER A 39 -46.766 -34.932 78.697 1.00 0.58 H new ATOM 0 HG SER A 39 -47.272 -37.541 79.703 1.00 0.86 H new ATOM 584 N ARG A 40 -43.594 -36.896 81.252 1.00 2.02 N ATOM 585 CA ARG A 40 -43.290 -37.898 82.322 1.00 3.55 C ATOM 586 C ARG A 40 -43.360 -37.089 83.613 1.00 3.76 C ATOM 587 O ARG A 40 -42.473 -37.130 84.458 1.00 5.94 O ATOM 588 CB ARG A 40 -41.871 -38.522 82.065 1.00 7.95 C ATOM 589 CG ARG A 40 -40.808 -37.448 81.683 1.00 12.80 C ATOM 590 CD ARG A 40 -39.369 -38.071 81.555 1.00 20.56 C ATOM 591 NE ARG A 40 -39.385 -39.543 81.883 1.00 25.72 N ATOM 592 CZ ARG A 40 -38.683 -39.965 82.903 1.00 33.41 C ATOM 593 NH1 ARG A 40 -38.934 -39.362 84.033 1.00 38.56 N ATOM 594 NH2 ARG A 40 -37.802 -40.924 82.747 1.00 40.28 N ATOM 0 H ARG A 40 -42.828 -36.275 80.990 1.00 2.02 H new ATOM 0 HA ARG A 40 -43.978 -38.743 82.355 1.00 3.55 H new ATOM 0 HB2 ARG A 40 -41.543 -39.051 82.959 1.00 7.95 H new ATOM 0 HB3 ARG A 40 -41.941 -39.260 81.266 1.00 7.95 H new ATOM 0 HG2 ARG A 40 -41.087 -36.980 80.739 1.00 12.80 H new ATOM 0 HG3 ARG A 40 -40.798 -36.662 82.438 1.00 12.80 H new ATOM 0 HD2 ARG A 40 -38.995 -37.925 80.542 1.00 20.56 H new ATOM 0 HD3 ARG A 40 -38.684 -37.553 82.226 1.00 20.56 H new ATOM 0 HE ARG A 40 -39.932 -40.196 81.321 1.00 25.72 H new ATOM 0 HH11 ARG A 40 -39.634 -38.622 84.071 1.00 38.56 H new ATOM 0 HH12 ARG A 40 -38.430 -39.631 84.878 1.00 38.56 H new ATOM 0 HH21 ARG A 40 -37.662 -41.344 81.828 1.00 40.28 H new ATOM 0 HH22 ARG A 40 -37.257 -41.250 83.545 1.00 40.28 H new ATOM 608 N ASP A 41 -44.461 -36.398 83.696 1.00 5.25 N ATOM 609 CA ASP A 41 -44.808 -35.507 84.836 1.00 9.92 C ATOM 610 C ASP A 41 -45.216 -36.392 85.994 1.00 10.58 C ATOM 611 O ASP A 41 -46.328 -36.871 86.069 1.00 14.90 O ATOM 612 CB ASP A 41 -45.987 -34.586 84.468 1.00 16.46 C ATOM 613 CG ASP A 41 -45.728 -33.939 83.124 1.00 24.03 C ATOM 614 OD1 ASP A 41 -45.928 -34.669 82.169 1.00 28.61 O ATOM 615 OD2 ASP A 41 -45.342 -32.790 83.105 1.00 29.20 O ATOM 0 H ASP A 41 -45.178 -36.419 82.971 1.00 5.25 H new ATOM 0 HA ASP A 41 -43.953 -34.882 85.092 1.00 9.92 H new ATOM 0 HB2 ASP A 41 -46.913 -35.160 84.434 1.00 16.46 H new ATOM 0 HB3 ASP A 41 -46.115 -33.820 85.233 1.00 16.46 H new ATOM 620 N ARG A 42 -44.265 -36.563 86.869 1.00 10.33 N ATOM 621 CA ARG A 42 -44.392 -37.392 88.106 1.00 14.57 C ATOM 622 C ARG A 42 -45.835 -37.677 88.495 1.00 11.57 C ATOM 623 O ARG A 42 -46.317 -38.765 88.270 1.00 13.65 O ATOM 624 CB ARG A 42 -43.691 -36.667 89.316 1.00 21.05 C ATOM 625 CG ARG A 42 -42.126 -36.545 89.307 1.00 28.84 C ATOM 626 CD ARG A 42 -41.523 -35.984 87.980 1.00 39.73 C ATOM 627 NE ARG A 42 -41.471 -37.006 86.870 1.00 49.73 N ATOM 628 CZ ARG A 42 -41.541 -38.293 87.082 1.00 60.41 C ATOM 629 NH1 ARG A 42 -40.690 -38.800 87.940 1.00 67.20 N ATOM 630 NH2 ARG A 42 -42.447 -38.972 86.431 1.00 68.65 N ATOM 0 H ARG A 42 -43.345 -36.133 86.769 1.00 10.33 H new ATOM 0 HA ARG A 42 -43.911 -38.344 87.880 1.00 14.57 H new ATOM 0 HB2 ARG A 42 -44.102 -35.660 89.383 1.00 21.05 H new ATOM 0 HB3 ARG A 42 -43.978 -37.190 90.228 1.00 21.05 H new ATOM 0 HG2 ARG A 42 -41.821 -35.899 90.130 1.00 28.84 H new ATOM 0 HG3 ARG A 42 -41.697 -37.529 89.498 1.00 28.84 H new ATOM 0 HD2 ARG A 42 -42.116 -35.131 87.652 1.00 39.73 H new ATOM 0 HD3 ARG A 42 -40.515 -35.616 88.174 1.00 39.73 H new ATOM 0 HE ARG A 42 -41.377 -36.676 85.909 1.00 49.73 H new ATOM 0 HH11 ARG A 42 -40.015 -38.195 88.407 1.00 67.20 H new ATOM 0 HH12 ARG A 42 -40.703 -39.800 88.141 1.00 67.20 H new ATOM 0 HH21 ARG A 42 -43.072 -38.496 85.781 1.00 68.65 H new ATOM 0 HH22 ARG A 42 -42.529 -39.979 86.573 1.00 68.65 H new ATOM 644 N ASN A 43 -46.453 -36.688 89.059 1.00 9.93 N ATOM 645 CA ASN A 43 -47.874 -36.864 89.496 1.00 9.37 C ATOM 646 C ASN A 43 -48.918 -36.053 88.731 1.00 6.11 C ATOM 647 O ASN A 43 -50.034 -35.981 89.219 1.00 8.88 O ATOM 648 CB ASN A 43 -47.996 -36.504 91.000 1.00 12.67 C ATOM 649 CG ASN A 43 -47.087 -37.402 91.840 1.00 16.35 C ATOM 650 OD1 ASN A 43 -47.246 -38.599 91.893 1.00 20.71 O ATOM 651 ND2 ASN A 43 -46.106 -36.895 92.528 1.00 19.57 N ATOM 0 H ASN A 43 -46.049 -35.769 89.239 1.00 9.93 H new ATOM 0 HA ASN A 43 -48.096 -37.910 89.286 1.00 9.37 H new ATOM 0 HB2 ASN A 43 -47.727 -35.459 91.153 1.00 12.67 H new ATOM 0 HB3 ASN A 43 -49.030 -36.618 91.325 1.00 12.67 H new ATOM 0 HD21 ASN A 43 -45.506 -37.503 93.085 1.00 19.57 H new ATOM 0 HD22 ASN A 43 -45.937 -35.889 92.511 1.00 19.57 H new ATOM 658 N LYS A 44 -48.637 -35.447 87.603 1.00 3.36 N ATOM 659 CA LYS A 44 -49.727 -34.656 86.925 1.00 1.82 C ATOM 660 C LYS A 44 -49.557 -34.428 85.410 1.00 1.30 C ATOM 661 O LYS A 44 -49.145 -33.338 85.077 1.00 1.81 O ATOM 662 CB LYS A 44 -49.867 -33.225 87.592 1.00 1.74 C ATOM 663 CG LYS A 44 -50.274 -33.281 89.090 1.00 3.63 C ATOM 664 CD LYS A 44 -50.577 -31.851 89.618 1.00 5.27 C ATOM 665 CE LYS A 44 -50.859 -31.918 91.138 1.00 9.16 C ATOM 666 NZ LYS A 44 -51.879 -32.980 91.430 1.00 14.87 N ATOM 0 H LYS A 44 -47.733 -35.459 87.130 1.00 3.36 H new ATOM 0 HA LYS A 44 -50.611 -35.280 87.058 1.00 1.82 H new ATOM 0 HB2 LYS A 44 -48.919 -32.695 87.500 1.00 1.74 H new ATOM 0 HB3 LYS A 44 -50.610 -32.647 87.042 1.00 1.74 H new ATOM 0 HG2 LYS A 44 -51.152 -33.915 89.212 1.00 3.63 H new ATOM 0 HG3 LYS A 44 -49.472 -33.730 89.676 1.00 3.63 H new ATOM 0 HD2 LYS A 44 -49.732 -31.191 89.422 1.00 5.27 H new ATOM 0 HD3 LYS A 44 -51.437 -31.432 89.095 1.00 5.27 H new ATOM 0 HE2 LYS A 44 -49.936 -32.132 91.677 1.00 9.16 H new ATOM 0 HE3 LYS A 44 -51.218 -30.952 91.492 1.00 9.16 H new ATOM 0 HZ1 LYS A 44 -52.426 -32.713 92.273 1.00 14.87 H new ATOM 0 HZ2 LYS A 44 -52.521 -33.078 90.618 1.00 14.87 H new ATOM 0 HZ3 LYS A 44 -51.398 -33.886 91.602 1.00 14.87 H new ATOM 680 N PRO A 45 -49.854 -35.363 84.533 1.00 0.73 N ATOM 681 CA PRO A 45 -49.801 -35.078 83.072 1.00 0.42 C ATOM 682 C PRO A 45 -50.256 -33.673 82.672 1.00 0.33 C ATOM 683 O PRO A 45 -51.040 -33.009 83.347 1.00 0.51 O ATOM 684 CB PRO A 45 -50.642 -36.172 82.431 1.00 0.31 C ATOM 685 CG PRO A 45 -50.283 -37.376 83.344 1.00 0.88 C ATOM 686 CD PRO A 45 -50.261 -36.772 84.800 1.00 0.77 C ATOM 0 HA PRO A 45 -48.768 -35.087 82.724 1.00 0.42 H new ATOM 0 HB2 PRO A 45 -51.707 -35.941 82.449 1.00 0.31 H new ATOM 0 HB3 PRO A 45 -50.372 -36.346 81.390 1.00 0.31 H new ATOM 0 HG2 PRO A 45 -51.020 -38.175 83.256 1.00 0.88 H new ATOM 0 HG3 PRO A 45 -49.317 -37.803 83.076 1.00 0.88 H new ATOM 0 HD2 PRO A 45 -51.236 -36.832 85.284 1.00 0.77 H new ATOM 0 HD3 PRO A 45 -49.552 -37.288 85.447 1.00 0.77 H new ATOM 694 N PHE A 46 -49.758 -33.342 81.522 1.00 0.18 N ATOM 695 CA PHE A 46 -50.017 -32.016 80.902 1.00 0.15 C ATOM 696 C PHE A 46 -51.497 -31.727 80.698 1.00 0.10 C ATOM 697 O PHE A 46 -52.300 -32.619 80.494 1.00 0.12 O ATOM 698 CB PHE A 46 -49.285 -32.001 79.579 1.00 0.14 C ATOM 699 CG PHE A 46 -49.401 -30.625 78.949 1.00 0.16 C ATOM 700 CD1 PHE A 46 -48.647 -29.613 79.489 1.00 0.45 C ATOM 701 CD2 PHE A 46 -50.232 -30.370 77.880 1.00 0.28 C ATOM 702 CE1 PHE A 46 -48.717 -28.342 78.971 1.00 0.51 C ATOM 703 CE2 PHE A 46 -50.304 -29.096 77.361 1.00 0.35 C ATOM 704 CZ PHE A 46 -49.547 -28.082 77.904 1.00 0.28 C ATOM 0 H PHE A 46 -49.162 -33.955 80.966 1.00 0.18 H new ATOM 0 HA PHE A 46 -49.661 -31.233 81.572 1.00 0.15 H new ATOM 0 HB2 PHE A 46 -48.236 -32.256 79.729 1.00 0.14 H new ATOM 0 HB3 PHE A 46 -49.704 -32.754 78.912 1.00 0.14 H new ATOM 0 HD1 PHE A 46 -47.995 -29.817 80.326 1.00 0.45 H new ATOM 0 HD2 PHE A 46 -50.824 -31.165 77.451 1.00 0.28 H new ATOM 0 HE1 PHE A 46 -48.122 -27.549 79.400 1.00 0.51 H new ATOM 0 HE2 PHE A 46 -50.957 -28.892 76.525 1.00 0.35 H new ATOM 0 HZ PHE A 46 -49.604 -27.085 77.494 1.00 0.28 H new ATOM 714 N LYS A 47 -51.810 -30.466 80.761 1.00 0.08 N ATOM 715 CA LYS A 47 -53.211 -30.016 80.589 1.00 0.08 C ATOM 716 C LYS A 47 -53.162 -28.677 79.887 1.00 0.08 C ATOM 717 O LYS A 47 -52.171 -27.986 80.007 1.00 0.13 O ATOM 718 CB LYS A 47 -53.889 -29.797 81.932 1.00 0.13 C ATOM 719 CG LYS A 47 -53.693 -31.029 82.809 1.00 0.14 C ATOM 720 CD LYS A 47 -54.366 -30.756 84.153 1.00 0.65 C ATOM 721 CE LYS A 47 -54.397 -32.040 84.968 1.00 1.33 C ATOM 722 NZ LYS A 47 -53.048 -32.706 84.925 1.00 3.76 N ATOM 0 H LYS A 47 -51.139 -29.716 80.928 1.00 0.08 H new ATOM 0 HA LYS A 47 -53.765 -30.771 80.032 1.00 0.08 H new ATOM 0 HB2 LYS A 47 -53.471 -28.918 82.423 1.00 0.13 H new ATOM 0 HB3 LYS A 47 -54.952 -29.606 81.787 1.00 0.13 H new ATOM 0 HG2 LYS A 47 -54.129 -31.909 82.335 1.00 0.14 H new ATOM 0 HG3 LYS A 47 -52.632 -31.234 82.948 1.00 0.14 H new ATOM 0 HD2 LYS A 47 -53.823 -29.981 84.694 1.00 0.65 H new ATOM 0 HD3 LYS A 47 -55.379 -30.386 83.997 1.00 0.65 H new ATOM 0 HE2 LYS A 47 -54.671 -31.820 86.000 1.00 1.33 H new ATOM 0 HE3 LYS A 47 -55.158 -32.714 84.573 1.00 1.33 H new ATOM 0 HZ1 LYS A 47 -53.061 -33.556 85.525 1.00 3.76 H new ATOM 0 HZ2 LYS A 47 -52.826 -32.977 83.946 1.00 3.76 H new ATOM 0 HZ3 LYS A 47 -52.324 -32.046 85.275 1.00 3.76 H new ATOM 736 N PHE A 48 -54.206 -28.351 79.193 1.00 0.05 N ATOM 737 CA PHE A 48 -54.258 -27.043 78.477 1.00 0.06 C ATOM 738 C PHE A 48 -55.731 -26.771 78.204 1.00 0.06 C ATOM 739 O PHE A 48 -56.553 -27.606 78.548 1.00 0.06 O ATOM 740 CB PHE A 48 -53.452 -27.104 77.153 1.00 0.06 C ATOM 741 CG PHE A 48 -53.978 -28.117 76.128 1.00 0.05 C ATOM 742 CD1 PHE A 48 -53.722 -29.476 76.229 1.00 1.57 C ATOM 743 CD2 PHE A 48 -54.724 -27.652 75.063 1.00 1.11 C ATOM 744 CE1 PHE A 48 -54.211 -30.342 75.272 1.00 1.52 C ATOM 745 CE2 PHE A 48 -55.210 -28.519 74.113 1.00 1.14 C ATOM 746 CZ PHE A 48 -54.953 -29.864 74.219 1.00 0.04 C ATOM 0 H PHE A 48 -55.036 -28.935 79.086 1.00 0.05 H new ATOM 0 HA PHE A 48 -53.812 -26.247 79.074 1.00 0.06 H new ATOM 0 HB2 PHE A 48 -53.452 -26.114 76.698 1.00 0.06 H new ATOM 0 HB3 PHE A 48 -52.415 -27.348 77.386 1.00 0.06 H new ATOM 0 HD1 PHE A 48 -53.141 -29.857 77.056 1.00 1.57 H new ATOM 0 HD2 PHE A 48 -54.928 -26.595 74.975 1.00 1.11 H new ATOM 0 HE1 PHE A 48 -54.010 -31.400 75.351 1.00 1.52 H new ATOM 0 HE2 PHE A 48 -55.793 -28.143 73.285 1.00 1.14 H new ATOM 0 HZ PHE A 48 -55.334 -30.547 73.474 1.00 0.04 H new ATOM 756 N MET A 49 -56.043 -25.657 77.612 1.00 0.09 N ATOM 757 CA MET A 49 -57.453 -25.295 77.303 1.00 0.13 C ATOM 758 C MET A 49 -57.599 -25.158 75.794 1.00 0.17 C ATOM 759 O MET A 49 -56.659 -24.828 75.096 1.00 0.36 O ATOM 760 CB MET A 49 -57.771 -23.994 77.996 1.00 0.21 C ATOM 761 CG MET A 49 -59.247 -23.572 77.844 1.00 0.32 C ATOM 762 SD MET A 49 -59.777 -22.144 78.821 1.00 1.21 S ATOM 763 CE MET A 49 -60.105 -23.028 80.370 1.00 2.45 C ATOM 0 H MET A 49 -55.358 -24.960 77.320 1.00 0.09 H new ATOM 0 HA MET A 49 -58.145 -26.061 77.653 1.00 0.13 H new ATOM 0 HB2 MET A 49 -57.533 -24.086 79.056 1.00 0.21 H new ATOM 0 HB3 MET A 49 -57.132 -23.209 77.593 1.00 0.21 H new ATOM 0 HG2 MET A 49 -59.434 -23.356 76.792 1.00 0.32 H new ATOM 0 HG3 MET A 49 -59.875 -24.422 78.111 1.00 0.32 H new ATOM 0 HE1 MET A 49 -60.450 -22.322 81.126 1.00 2.45 H new ATOM 0 HE2 MET A 49 -60.872 -23.784 80.202 1.00 2.45 H new ATOM 0 HE3 MET A 49 -59.190 -23.510 80.715 1.00 2.45 H new ATOM 773 N LEU A 50 -58.788 -25.412 75.338 1.00 0.14 N ATOM 774 CA LEU A 50 -59.110 -25.329 73.897 1.00 0.17 C ATOM 775 C LEU A 50 -59.595 -23.926 73.571 1.00 0.22 C ATOM 776 O LEU A 50 -60.534 -23.458 74.187 1.00 0.28 O ATOM 777 CB LEU A 50 -60.205 -26.364 73.606 1.00 0.20 C ATOM 778 CG LEU A 50 -60.690 -26.288 72.141 1.00 0.26 C ATOM 779 CD1 LEU A 50 -59.494 -26.469 71.196 1.00 0.33 C ATOM 780 CD2 LEU A 50 -61.727 -27.398 71.898 1.00 0.32 C ATOM 0 H LEU A 50 -59.575 -25.683 75.928 1.00 0.14 H new ATOM 0 HA LEU A 50 -58.233 -25.536 73.283 1.00 0.17 H new ATOM 0 HB2 LEU A 50 -59.824 -27.364 73.811 1.00 0.20 H new ATOM 0 HB3 LEU A 50 -61.048 -26.200 74.277 1.00 0.20 H new ATOM 0 HG LEU A 50 -61.148 -25.317 71.950 1.00 0.26 H new ATOM 0 HD11 LEU A 50 -59.836 -26.415 70.162 1.00 0.33 H new ATOM 0 HD12 LEU A 50 -58.764 -25.680 71.378 1.00 0.33 H new ATOM 0 HD13 LEU A 50 -59.032 -27.440 71.376 1.00 0.33 H new ATOM 0 HD21 LEU A 50 -62.075 -27.352 70.866 1.00 0.32 H new ATOM 0 HD22 LEU A 50 -61.270 -28.370 72.083 1.00 0.32 H new ATOM 0 HD23 LEU A 50 -62.572 -27.260 72.572 1.00 0.32 H new ATOM 792 N GLY A 51 -58.966 -23.290 72.630 1.00 0.28 N ATOM 793 CA GLY A 51 -59.380 -21.915 72.241 1.00 0.42 C ATOM 794 C GLY A 51 -58.447 -20.889 72.844 1.00 0.46 C ATOM 795 O GLY A 51 -58.703 -19.709 72.725 1.00 0.94 O ATOM 0 H GLY A 51 -58.175 -23.665 72.107 1.00 0.28 H new ATOM 0 HA2 GLY A 51 -59.379 -21.822 71.155 1.00 0.42 H new ATOM 0 HA3 GLY A 51 -60.400 -21.728 72.576 1.00 0.42 H new ATOM 799 N LYS A 52 -57.394 -21.336 73.471 1.00 0.43 N ATOM 800 CA LYS A 52 -56.436 -20.378 74.094 1.00 0.69 C ATOM 801 C LYS A 52 -55.049 -20.611 73.484 1.00 0.64 C ATOM 802 O LYS A 52 -54.085 -20.014 73.918 1.00 1.41 O ATOM 803 CB LYS A 52 -56.457 -20.631 75.631 1.00 1.19 C ATOM 804 CG LYS A 52 -55.586 -19.602 76.378 1.00 2.11 C ATOM 805 CD LYS A 52 -55.571 -19.947 77.883 1.00 4.95 C ATOM 806 CE LYS A 52 -54.262 -19.397 78.485 1.00 7.89 C ATOM 807 NZ LYS A 52 -54.124 -17.943 78.166 1.00 8.93 N ATOM 0 H LYS A 52 -57.155 -22.322 73.579 1.00 0.43 H new ATOM 0 HA LYS A 52 -56.706 -19.339 73.908 1.00 0.69 H new ATOM 0 HB2 LYS A 52 -57.482 -20.577 75.997 1.00 1.19 H new ATOM 0 HB3 LYS A 52 -56.096 -21.638 75.841 1.00 1.19 H new ATOM 0 HG2 LYS A 52 -54.571 -19.610 75.981 1.00 2.11 H new ATOM 0 HG3 LYS A 52 -55.979 -18.597 76.227 1.00 2.11 H new ATOM 0 HD2 LYS A 52 -56.434 -19.508 78.383 1.00 4.95 H new ATOM 0 HD3 LYS A 52 -55.633 -21.026 78.027 1.00 4.95 H new ATOM 0 HE2 LYS A 52 -54.259 -19.543 79.565 1.00 7.89 H new ATOM 0 HE3 LYS A 52 -53.410 -19.948 78.087 1.00 7.89 H new ATOM 0 HZ1 LYS A 52 -53.453 -17.504 78.829 1.00 8.93 H new ATOM 0 HZ2 LYS A 52 -53.772 -17.833 77.194 1.00 8.93 H new ATOM 0 HZ3 LYS A 52 -55.051 -17.479 78.253 1.00 8.93 H new ATOM 821 N GLN A 53 -54.992 -21.459 72.496 1.00 0.62 N ATOM 822 CA GLN A 53 -53.713 -21.792 71.799 1.00 0.77 C ATOM 823 C GLN A 53 -52.515 -21.886 72.765 1.00 0.72 C ATOM 824 O GLN A 53 -51.508 -21.230 72.588 1.00 1.24 O ATOM 825 CB GLN A 53 -53.444 -20.705 70.739 1.00 1.49 C ATOM 826 CG GLN A 53 -54.742 -20.403 69.966 1.00 2.94 C ATOM 827 CD GLN A 53 -54.378 -19.587 68.743 1.00 3.82 C ATOM 828 OE1 GLN A 53 -54.056 -18.421 68.811 1.00 5.29 O ATOM 829 NE2 GLN A 53 -54.407 -20.164 67.584 1.00 5.97 N ATOM 0 H GLN A 53 -55.806 -21.953 72.129 1.00 0.62 H new ATOM 0 HA GLN A 53 -53.821 -22.774 71.339 1.00 0.77 H new ATOM 0 HB2 GLN A 53 -53.076 -19.798 71.219 1.00 1.49 H new ATOM 0 HB3 GLN A 53 -52.668 -21.039 70.050 1.00 1.49 H new ATOM 0 HG2 GLN A 53 -55.236 -21.330 69.673 1.00 2.94 H new ATOM 0 HG3 GLN A 53 -55.442 -19.854 70.596 1.00 2.94 H new ATOM 0 HE21 GLN A 53 -54.676 -21.145 67.509 1.00 5.97 H new ATOM 0 HE22 GLN A 53 -54.161 -19.637 66.746 1.00 5.97 H new ATOM 838 N GLU A 54 -52.647 -22.709 73.767 1.00 0.44 N ATOM 839 CA GLU A 54 -51.519 -22.856 74.746 1.00 0.48 C ATOM 840 C GLU A 54 -50.598 -23.973 74.243 1.00 0.38 C ATOM 841 O GLU A 54 -49.557 -24.246 74.810 1.00 0.44 O ATOM 842 CB GLU A 54 -52.043 -23.263 76.128 1.00 0.51 C ATOM 843 CG GLU A 54 -53.213 -22.375 76.582 1.00 1.87 C ATOM 844 CD GLU A 54 -53.589 -22.821 77.988 1.00 3.69 C ATOM 845 OE1 GLU A 54 -53.970 -23.968 78.085 1.00 6.22 O ATOM 846 OE2 GLU A 54 -53.475 -22.000 78.876 1.00 6.35 O ATOM 0 H GLU A 54 -53.471 -23.281 73.954 1.00 0.44 H new ATOM 0 HA GLU A 54 -50.996 -21.904 74.830 1.00 0.48 H new ATOM 0 HB2 GLU A 54 -52.366 -24.304 76.102 1.00 0.51 H new ATOM 0 HB3 GLU A 54 -51.235 -23.199 76.856 1.00 0.51 H new ATOM 0 HG2 GLU A 54 -52.925 -21.324 76.575 1.00 1.87 H new ATOM 0 HG3 GLU A 54 -54.061 -22.478 75.905 1.00 1.87 H new ATOM 853 N VAL A 55 -51.017 -24.606 73.189 1.00 0.27 N ATOM 854 CA VAL A 55 -50.231 -25.713 72.594 1.00 0.21 C ATOM 855 C VAL A 55 -50.106 -25.384 71.110 1.00 0.20 C ATOM 856 O VAL A 55 -50.605 -24.370 70.661 1.00 0.29 O ATOM 857 CB VAL A 55 -51.008 -27.036 72.863 1.00 0.18 C ATOM 858 CG1 VAL A 55 -51.020 -27.289 74.389 1.00 0.28 C ATOM 859 CG2 VAL A 55 -52.488 -26.921 72.422 1.00 0.22 C ATOM 0 H VAL A 55 -51.890 -24.397 72.705 1.00 0.27 H new ATOM 0 HA VAL A 55 -49.233 -25.832 73.015 1.00 0.21 H new ATOM 0 HB VAL A 55 -50.519 -27.836 72.306 1.00 0.18 H new ATOM 0 HG11 VAL A 55 -51.560 -28.212 74.601 1.00 0.28 H new ATOM 0 HG12 VAL A 55 -49.996 -27.377 74.751 1.00 0.28 H new ATOM 0 HG13 VAL A 55 -51.513 -26.457 74.892 1.00 0.28 H new ATOM 0 HG21 VAL A 55 -53.002 -27.861 72.623 1.00 0.22 H new ATOM 0 HG22 VAL A 55 -52.972 -26.117 72.977 1.00 0.22 H new ATOM 0 HG23 VAL A 55 -52.534 -26.704 71.355 1.00 0.22 H new ATOM 869 N ILE A 56 -49.462 -26.236 70.373 1.00 0.19 N ATOM 870 CA ILE A 56 -49.328 -25.939 68.926 1.00 0.17 C ATOM 871 C ILE A 56 -50.638 -26.375 68.276 1.00 0.13 C ATOM 872 O ILE A 56 -51.425 -27.085 68.883 1.00 0.16 O ATOM 873 CB ILE A 56 -48.132 -26.723 68.356 1.00 0.19 C ATOM 874 CG1 ILE A 56 -48.194 -28.209 68.833 1.00 0.25 C ATOM 875 CG2 ILE A 56 -46.819 -26.052 68.858 1.00 0.31 C ATOM 876 CD1 ILE A 56 -47.228 -29.024 67.993 1.00 0.00 C ATOM 0 H ILE A 56 -49.033 -27.103 70.697 1.00 0.19 H new ATOM 0 HA ILE A 56 -49.145 -24.881 68.735 1.00 0.17 H new ATOM 0 HB ILE A 56 -48.161 -26.711 67.266 1.00 0.19 H new ATOM 0 HG12 ILE A 56 -47.931 -28.279 69.888 1.00 0.25 H new ATOM 0 HG13 ILE A 56 -49.207 -28.598 68.730 1.00 0.25 H new ATOM 0 HG21 ILE A 56 -45.960 -26.594 68.464 1.00 0.31 H new ATOM 0 HG22 ILE A 56 -46.784 -25.018 68.514 1.00 0.31 H new ATOM 0 HG23 ILE A 56 -46.793 -26.073 69.947 1.00 0.31 H new ATOM 0 HD11 ILE A 56 -47.258 -30.066 68.312 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -47.514 -28.958 66.943 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -46.218 -28.634 68.119 1.00 0.00 H new ATOM 888 N ARG A 57 -50.823 -25.955 67.053 1.00 0.11 N ATOM 889 CA ARG A 57 -52.068 -26.307 66.326 1.00 0.08 C ATOM 890 C ARG A 57 -52.251 -27.806 66.395 1.00 0.05 C ATOM 891 O ARG A 57 -53.252 -28.262 66.895 1.00 0.04 O ATOM 892 CB ARG A 57 -51.988 -25.835 64.843 1.00 0.11 C ATOM 893 CG ARG A 57 -53.373 -26.104 64.177 1.00 0.26 C ATOM 894 CD ARG A 57 -53.490 -25.373 62.825 1.00 1.40 C ATOM 895 NE ARG A 57 -53.334 -23.901 63.075 1.00 2.99 N ATOM 896 CZ ARG A 57 -54.374 -23.123 62.945 1.00 5.47 C ATOM 897 NH1 ARG A 57 -55.267 -23.174 63.903 1.00 7.74 N ATOM 898 NH2 ARG A 57 -54.447 -22.367 61.880 1.00 9.62 N ATOM 0 H ARG A 57 -50.162 -25.382 66.528 1.00 0.11 H new ATOM 0 HA ARG A 57 -52.920 -25.807 66.787 1.00 0.08 H new ATOM 0 HB2 ARG A 57 -51.741 -24.775 64.793 1.00 0.11 H new ATOM 0 HB3 ARG A 57 -51.200 -26.371 64.314 1.00 0.11 H new ATOM 0 HG2 ARG A 57 -53.506 -27.175 64.027 1.00 0.26 H new ATOM 0 HG3 ARG A 57 -54.170 -25.774 64.843 1.00 0.26 H new ATOM 0 HD2 ARG A 57 -52.724 -25.725 62.135 1.00 1.40 H new ATOM 0 HD3 ARG A 57 -54.455 -25.580 62.363 1.00 1.40 H new ATOM 0 HE ARG A 57 -52.429 -23.515 63.342 1.00 2.99 H new ATOM 0 HH11 ARG A 57 -55.128 -23.800 64.697 1.00 7.74 H new ATOM 0 HH12 ARG A 57 -56.101 -22.588 63.855 1.00 7.74 H new ATOM 0 HH21 ARG A 57 -53.704 -22.397 61.181 1.00 9.62 H new ATOM 0 HH22 ARG A 57 -55.247 -21.748 61.748 1.00 9.62 H new ATOM 912 N GLY A 58 -51.293 -28.523 65.880 1.00 0.06 N ATOM 913 CA GLY A 58 -51.325 -30.014 65.883 1.00 0.06 C ATOM 914 C GLY A 58 -52.018 -30.566 67.117 1.00 0.05 C ATOM 915 O GLY A 58 -52.704 -31.562 67.042 1.00 0.08 O ATOM 0 H GLY A 58 -50.462 -28.125 65.443 1.00 0.06 H new ATOM 0 HA2 GLY A 58 -51.840 -30.367 64.990 1.00 0.06 H new ATOM 0 HA3 GLY A 58 -50.306 -30.399 65.837 1.00 0.06 H new ATOM 919 N TRP A 59 -51.828 -29.899 68.219 1.00 0.04 N ATOM 920 CA TRP A 59 -52.451 -30.346 69.489 1.00 0.05 C ATOM 921 C TRP A 59 -53.844 -29.806 69.677 1.00 0.05 C ATOM 922 O TRP A 59 -54.762 -30.572 69.876 1.00 0.05 O ATOM 923 CB TRP A 59 -51.672 -29.867 70.698 1.00 0.06 C ATOM 924 CG TRP A 59 -50.638 -30.851 71.214 1.00 0.05 C ATOM 925 CD1 TRP A 59 -49.703 -31.489 70.493 1.00 0.09 C ATOM 926 CD2 TRP A 59 -50.487 -31.174 72.501 1.00 0.06 C ATOM 927 NE1 TRP A 59 -49.033 -32.163 71.408 1.00 0.08 N ATOM 928 CE2 TRP A 59 -49.434 -32.044 72.670 1.00 0.06 C ATOM 929 CE3 TRP A 59 -51.249 -30.750 73.563 1.00 0.09 C ATOM 930 CZ2 TRP A 59 -49.156 -32.476 73.956 1.00 0.07 C ATOM 931 CZ3 TRP A 59 -50.967 -31.182 74.816 1.00 0.12 C ATOM 932 CH2 TRP A 59 -49.920 -32.042 75.015 1.00 0.10 C ATOM 0 H TRP A 59 -51.261 -29.054 68.292 1.00 0.04 H new ATOM 0 HA TRP A 59 -52.461 -31.433 69.415 1.00 0.05 H new ATOM 0 HB2 TRP A 59 -51.171 -28.933 70.444 1.00 0.06 H new ATOM 0 HB3 TRP A 59 -52.374 -29.644 71.501 1.00 0.06 H new ATOM 0 HD1 TRP A 59 -49.539 -31.458 69.426 1.00 0.09 H new ATOM 0 HE1 TRP A 59 -48.239 -32.752 71.157 1.00 0.08 H new ATOM 0 HE3 TRP A 59 -52.073 -30.072 73.399 1.00 0.09 H new ATOM 0 HZ2 TRP A 59 -48.336 -33.157 74.129 1.00 0.07 H new ATOM 0 HZ3 TRP A 59 -51.564 -30.850 75.652 1.00 0.12 H new ATOM 0 HH2 TRP A 59 -49.691 -32.383 76.014 1.00 0.10 H new ATOM 943 N GLU A 60 -53.979 -28.512 69.620 1.00 0.07 N ATOM 944 CA GLU A 60 -55.335 -27.928 69.817 1.00 0.09 C ATOM 945 C GLU A 60 -56.284 -28.682 68.888 1.00 0.06 C ATOM 946 O GLU A 60 -57.360 -29.087 69.270 1.00 0.05 O ATOM 947 CB GLU A 60 -55.242 -26.390 69.511 1.00 0.16 C ATOM 948 CG GLU A 60 -56.428 -25.644 70.194 1.00 0.21 C ATOM 949 CD GLU A 60 -56.156 -24.143 70.303 1.00 1.57 C ATOM 950 OE1 GLU A 60 -55.648 -23.597 69.343 1.00 3.75 O ATOM 951 OE2 GLU A 60 -56.476 -23.605 71.354 1.00 3.90 O ATOM 0 H GLU A 60 -53.227 -27.844 69.449 1.00 0.07 H new ATOM 0 HA GLU A 60 -55.714 -28.029 70.834 1.00 0.09 H new ATOM 0 HB2 GLU A 60 -54.294 -25.994 69.874 1.00 0.16 H new ATOM 0 HB3 GLU A 60 -55.266 -26.222 68.434 1.00 0.16 H new ATOM 0 HG2 GLU A 60 -57.341 -25.809 69.622 1.00 0.21 H new ATOM 0 HG3 GLU A 60 -56.596 -26.058 71.188 1.00 0.21 H new ATOM 958 N GLU A 61 -55.818 -28.852 67.696 1.00 0.08 N ATOM 959 CA GLU A 61 -56.556 -29.552 66.640 1.00 0.08 C ATOM 960 C GLU A 61 -56.635 -31.042 66.989 1.00 0.05 C ATOM 961 O GLU A 61 -57.654 -31.624 67.307 1.00 0.06 O ATOM 962 CB GLU A 61 -55.772 -29.289 65.310 1.00 0.12 C ATOM 963 CG GLU A 61 -56.193 -30.197 64.141 1.00 0.18 C ATOM 964 CD GLU A 61 -57.571 -29.800 63.690 1.00 1.17 C ATOM 965 OE1 GLU A 61 -58.477 -30.247 64.363 1.00 2.88 O ATOM 966 OE2 GLU A 61 -57.590 -29.075 62.713 1.00 3.69 O ATOM 0 H GLU A 61 -54.903 -28.512 67.401 1.00 0.08 H new ATOM 0 HA GLU A 61 -57.582 -29.200 66.534 1.00 0.08 H new ATOM 0 HB2 GLU A 61 -55.914 -28.249 65.017 1.00 0.12 H new ATOM 0 HB3 GLU A 61 -54.707 -29.425 65.496 1.00 0.12 H new ATOM 0 HG2 GLU A 61 -55.485 -30.104 63.317 1.00 0.18 H new ATOM 0 HG3 GLU A 61 -56.184 -31.241 64.453 1.00 0.18 H new ATOM 973 N GLY A 62 -55.471 -31.614 66.934 1.00 0.04 N ATOM 974 CA GLY A 62 -55.283 -33.060 67.207 1.00 0.04 C ATOM 975 C GLY A 62 -56.050 -33.575 68.399 1.00 0.04 C ATOM 976 O GLY A 62 -56.893 -34.439 68.297 1.00 0.07 O ATOM 0 H GLY A 62 -54.610 -31.119 66.702 1.00 0.04 H new ATOM 0 HA2 GLY A 62 -55.584 -33.626 66.325 1.00 0.04 H new ATOM 0 HA3 GLY A 62 -54.222 -33.253 67.363 1.00 0.04 H new ATOM 980 N VAL A 63 -55.728 -33.006 69.512 1.00 0.03 N ATOM 981 CA VAL A 63 -56.378 -33.400 70.775 1.00 0.04 C ATOM 982 C VAL A 63 -57.873 -33.061 70.737 1.00 0.04 C ATOM 983 O VAL A 63 -58.673 -33.825 71.242 1.00 0.06 O ATOM 984 CB VAL A 63 -55.650 -32.666 71.922 1.00 0.04 C ATOM 985 CG1 VAL A 63 -56.176 -33.276 73.237 1.00 0.05 C ATOM 986 CG2 VAL A 63 -54.072 -32.824 71.797 1.00 0.05 C ATOM 0 H VAL A 63 -55.028 -32.270 69.602 1.00 0.03 H new ATOM 0 HA VAL A 63 -56.308 -34.477 70.930 1.00 0.04 H new ATOM 0 HB VAL A 63 -55.848 -31.595 71.887 1.00 0.04 H new ATOM 0 HG11 VAL A 63 -55.691 -32.790 74.083 1.00 0.05 H new ATOM 0 HG12 VAL A 63 -57.254 -33.127 73.302 1.00 0.05 H new ATOM 0 HG13 VAL A 63 -55.956 -34.343 73.257 1.00 0.05 H new ATOM 0 HG21 VAL A 63 -53.587 -32.297 72.619 1.00 0.05 H new ATOM 0 HG22 VAL A 63 -53.808 -33.881 71.838 1.00 0.05 H new ATOM 0 HG23 VAL A 63 -53.738 -32.403 70.849 1.00 0.05 H new ATOM 996 N ALA A 64 -58.234 -31.943 70.167 1.00 0.04 N ATOM 997 CA ALA A 64 -59.694 -31.609 70.124 1.00 0.05 C ATOM 998 C ALA A 64 -60.398 -32.686 69.319 1.00 0.05 C ATOM 999 O ALA A 64 -61.552 -33.000 69.531 1.00 0.10 O ATOM 1000 CB ALA A 64 -59.944 -30.277 69.422 1.00 0.05 C ATOM 0 H ALA A 64 -57.606 -31.262 69.740 1.00 0.04 H new ATOM 0 HA ALA A 64 -60.063 -31.545 71.148 1.00 0.05 H new ATOM 0 HB1 ALA A 64 -61.014 -30.067 69.410 1.00 0.05 H new ATOM 0 HB2 ALA A 64 -59.424 -29.481 69.956 1.00 0.05 H new ATOM 0 HB3 ALA A 64 -59.573 -30.330 68.399 1.00 0.05 H new ATOM 1006 N GLN A 65 -59.640 -33.211 68.410 1.00 0.03 N ATOM 1007 CA GLN A 65 -60.095 -34.258 67.501 1.00 0.03 C ATOM 1008 C GLN A 65 -59.993 -35.648 68.154 1.00 0.04 C ATOM 1009 O GLN A 65 -60.144 -36.648 67.474 1.00 0.08 O ATOM 1010 CB GLN A 65 -59.215 -34.008 66.244 1.00 0.04 C ATOM 1011 CG GLN A 65 -59.579 -34.748 64.956 1.00 0.04 C ATOM 1012 CD GLN A 65 -58.632 -34.206 63.862 1.00 0.05 C ATOM 1013 OE1 GLN A 65 -58.125 -33.006 63.950 1.00 0.06 O flip ATOM 1014 NE2 GLN A 65 -58.342 -34.887 62.899 1.00 0.04 N flip ATOM 0 H GLN A 65 -58.670 -32.932 68.262 1.00 0.03 H new ATOM 0 HA GLN A 65 -61.151 -34.230 67.234 1.00 0.03 H new ATOM 0 HB2 GLN A 65 -59.232 -32.939 66.031 1.00 0.04 H new ATOM 0 HB3 GLN A 65 -58.187 -34.266 66.499 1.00 0.04 H new ATOM 0 HG2 GLN A 65 -59.456 -35.824 65.078 1.00 0.04 H new ATOM 0 HG3 GLN A 65 -60.621 -34.574 64.689 1.00 0.04 H new ATOM 0 HE21 GLN A 65 -58.724 -35.828 62.806 1.00 0.04 H new ATOM 0 HE22 GLN A 65 -57.716 -34.518 62.183 1.00 0.04 H new ATOM 1023 N MET A 66 -59.739 -35.705 69.439 1.00 0.04 N ATOM 1024 CA MET A 66 -59.643 -37.039 70.128 1.00 0.05 C ATOM 1025 C MET A 66 -60.709 -37.061 71.221 1.00 0.03 C ATOM 1026 O MET A 66 -61.087 -36.013 71.715 1.00 0.02 O ATOM 1027 CB MET A 66 -58.272 -37.220 70.786 1.00 0.10 C ATOM 1028 CG MET A 66 -57.195 -37.341 69.709 1.00 0.93 C ATOM 1029 SD MET A 66 -55.490 -37.467 70.300 1.00 1.51 S ATOM 1030 CE MET A 66 -55.625 -39.078 71.114 1.00 1.77 C ATOM 0 H MET A 66 -59.594 -34.894 70.040 1.00 0.04 H new ATOM 0 HA MET A 66 -59.784 -37.838 69.400 1.00 0.05 H new ATOM 0 HB2 MET A 66 -58.056 -36.373 71.437 1.00 0.10 H new ATOM 0 HB3 MET A 66 -58.274 -38.111 71.413 1.00 0.10 H new ATOM 0 HG2 MET A 66 -57.414 -38.220 69.102 1.00 0.93 H new ATOM 0 HG3 MET A 66 -57.267 -36.474 69.052 1.00 0.93 H new ATOM 0 HE1 MET A 66 -54.630 -39.436 71.380 1.00 1.77 H new ATOM 0 HE2 MET A 66 -56.229 -38.980 72.016 1.00 1.77 H new ATOM 0 HE3 MET A 66 -56.098 -39.789 70.437 1.00 1.77 H new ATOM 1040 N SER A 67 -61.165 -38.226 71.589 1.00 0.03 N ATOM 1041 CA SER A 67 -62.201 -38.302 72.647 1.00 0.03 C ATOM 1042 C SER A 67 -61.596 -38.818 73.948 1.00 0.03 C ATOM 1043 O SER A 67 -60.506 -39.360 73.998 1.00 0.06 O ATOM 1044 CB SER A 67 -63.320 -39.239 72.158 1.00 0.05 C ATOM 1045 OG SER A 67 -62.645 -40.364 71.588 1.00 0.07 O ATOM 0 H SER A 67 -60.865 -39.122 71.204 1.00 0.03 H new ATOM 0 HA SER A 67 -62.609 -37.311 72.844 1.00 0.03 H new ATOM 0 HB2 SER A 67 -63.966 -39.543 72.981 1.00 0.05 H new ATOM 0 HB3 SER A 67 -63.953 -38.745 71.421 1.00 0.05 H new ATOM 0 HG SER A 67 -63.305 -41.007 71.255 1.00 0.07 H new ATOM 1051 N VAL A 68 -62.357 -38.607 74.975 1.00 0.02 N ATOM 1052 CA VAL A 68 -62.024 -39.004 76.348 1.00 0.02 C ATOM 1053 C VAL A 68 -61.709 -40.505 76.367 1.00 0.03 C ATOM 1054 O VAL A 68 -62.588 -41.321 76.145 1.00 0.04 O ATOM 1055 CB VAL A 68 -63.267 -38.590 77.192 1.00 0.04 C ATOM 1056 CG1 VAL A 68 -63.194 -39.070 78.639 1.00 0.06 C ATOM 1057 CG2 VAL A 68 -63.399 -37.035 77.182 1.00 0.06 C ATOM 0 H VAL A 68 -63.261 -38.140 74.901 1.00 0.02 H new ATOM 0 HA VAL A 68 -61.137 -38.525 76.761 1.00 0.02 H new ATOM 0 HB VAL A 68 -64.135 -39.065 76.735 1.00 0.04 H new ATOM 0 HG11 VAL A 68 -64.088 -38.750 79.174 1.00 0.06 H new ATOM 0 HG12 VAL A 68 -63.129 -40.158 78.659 1.00 0.06 H new ATOM 0 HG13 VAL A 68 -62.313 -38.645 79.119 1.00 0.06 H new ATOM 0 HG21 VAL A 68 -64.267 -36.740 77.771 1.00 0.06 H new ATOM 0 HG22 VAL A 68 -62.501 -36.591 77.611 1.00 0.06 H new ATOM 0 HG23 VAL A 68 -63.521 -36.687 76.156 1.00 0.06 H new ATOM 1067 N GLY A 69 -60.472 -40.826 76.615 1.00 0.02 N ATOM 1068 CA GLY A 69 -60.080 -42.258 76.660 1.00 0.04 C ATOM 1069 C GLY A 69 -59.554 -42.687 75.307 1.00 0.04 C ATOM 1070 O GLY A 69 -59.416 -43.870 75.072 1.00 0.06 O ATOM 0 H GLY A 69 -59.718 -40.161 76.788 1.00 0.02 H new ATOM 0 HA2 GLY A 69 -59.317 -42.412 77.423 1.00 0.04 H new ATOM 0 HA3 GLY A 69 -60.937 -42.871 76.938 1.00 0.04 H new ATOM 1074 N GLN A 70 -59.266 -41.747 74.448 1.00 0.03 N ATOM 1075 CA GLN A 70 -58.748 -42.128 73.105 1.00 0.03 C ATOM 1076 C GLN A 70 -57.264 -41.825 73.095 1.00 0.03 C ATOM 1077 O GLN A 70 -56.813 -40.854 73.681 1.00 0.05 O ATOM 1078 CB GLN A 70 -59.449 -41.296 72.001 1.00 0.05 C ATOM 1079 CG GLN A 70 -58.933 -41.708 70.612 1.00 0.08 C ATOM 1080 CD GLN A 70 -59.839 -41.134 69.532 1.00 0.34 C ATOM 1081 OE1 GLN A 70 -61.012 -41.438 69.489 1.00 1.59 O ATOM 1082 NE2 GLN A 70 -59.367 -40.316 68.641 1.00 0.16 N ATOM 0 H GLN A 70 -59.365 -40.746 74.615 1.00 0.03 H new ATOM 0 HA GLN A 70 -58.939 -43.183 72.910 1.00 0.03 H new ATOM 0 HB2 GLN A 70 -60.528 -41.444 72.054 1.00 0.05 H new ATOM 0 HB3 GLN A 70 -59.265 -40.234 72.164 1.00 0.05 H new ATOM 0 HG2 GLN A 70 -57.913 -41.349 70.472 1.00 0.08 H new ATOM 0 HG3 GLN A 70 -58.902 -42.795 70.533 1.00 0.08 H new ATOM 0 HE21 GLN A 70 -58.382 -40.050 68.663 1.00 0.16 H new ATOM 0 HE22 GLN A 70 -59.981 -39.939 67.919 1.00 0.16 H new ATOM 1091 N ARG A 71 -56.545 -42.671 72.418 1.00 0.03 N ATOM 1092 CA ARG A 71 -55.079 -42.505 72.311 1.00 0.04 C ATOM 1093 C ARG A 71 -54.793 -42.588 70.845 1.00 0.02 C ATOM 1094 O ARG A 71 -55.364 -43.402 70.134 1.00 0.03 O ATOM 1095 CB ARG A 71 -54.348 -43.620 73.017 1.00 0.08 C ATOM 1096 CG ARG A 71 -52.830 -43.291 73.075 1.00 0.64 C ATOM 1097 CD ARG A 71 -52.301 -43.927 74.333 1.00 0.74 C ATOM 1098 NE ARG A 71 -52.268 -45.421 74.265 1.00 1.15 N ATOM 1099 CZ ARG A 71 -51.301 -45.992 74.930 1.00 3.11 C ATOM 1100 NH1 ARG A 71 -51.279 -45.765 76.217 1.00 6.18 N ATOM 1101 NH2 ARG A 71 -50.439 -46.727 74.265 1.00 5.72 N ATOM 0 H ARG A 71 -56.921 -43.483 71.927 1.00 0.03 H new ATOM 0 HA ARG A 71 -54.754 -41.569 72.765 1.00 0.04 H new ATOM 0 HB2 ARG A 71 -54.742 -43.746 74.025 1.00 0.08 H new ATOM 0 HB3 ARG A 71 -54.507 -44.562 72.493 1.00 0.08 H new ATOM 0 HG2 ARG A 71 -52.315 -43.681 72.197 1.00 0.64 H new ATOM 0 HG3 ARG A 71 -52.667 -42.213 73.087 1.00 0.64 H new ATOM 0 HD2 ARG A 71 -51.294 -43.556 74.525 1.00 0.74 H new ATOM 0 HD3 ARG A 71 -52.920 -43.621 75.176 1.00 0.74 H new ATOM 0 HE ARG A 71 -52.955 -45.957 73.735 1.00 1.15 H new ATOM 0 HH11 ARG A 71 -51.991 -45.172 76.642 1.00 6.18 H new ATOM 0 HH12 ARG A 71 -50.550 -46.181 76.796 1.00 6.18 H new ATOM 0 HH21 ARG A 71 -50.536 -46.839 73.256 1.00 5.72 H new ATOM 0 HH22 ARG A 71 -49.673 -47.186 74.758 1.00 5.72 H new ATOM 1115 N ALA A 72 -53.902 -41.744 70.464 1.00 0.02 N ATOM 1116 CA ALA A 72 -53.491 -41.669 69.047 1.00 0.03 C ATOM 1117 C ALA A 72 -52.046 -41.272 68.992 1.00 0.03 C ATOM 1118 O ALA A 72 -51.465 -40.820 69.957 1.00 0.03 O ATOM 1119 CB ALA A 72 -54.325 -40.609 68.303 1.00 0.04 C ATOM 0 H ALA A 72 -53.428 -41.087 71.083 1.00 0.02 H new ATOM 0 HA ALA A 72 -53.646 -42.639 68.574 1.00 0.03 H new ATOM 0 HB1 ALA A 72 -54.011 -40.565 67.260 1.00 0.04 H new ATOM 0 HB2 ALA A 72 -55.381 -40.876 68.353 1.00 0.04 H new ATOM 0 HB3 ALA A 72 -54.174 -39.635 68.769 1.00 0.04 H new ATOM 1125 N LYS A 73 -51.542 -41.462 67.819 1.00 0.03 N ATOM 1126 CA LYS A 73 -50.145 -41.143 67.494 1.00 0.03 C ATOM 1127 C LYS A 73 -50.509 -40.087 66.476 1.00 0.03 C ATOM 1128 O LYS A 73 -51.051 -40.412 65.436 1.00 0.04 O ATOM 1129 CB LYS A 73 -49.432 -42.321 66.814 1.00 0.04 C ATOM 1130 CG LYS A 73 -47.960 -41.881 66.535 1.00 0.06 C ATOM 1131 CD LYS A 73 -47.170 -42.782 65.541 1.00 0.42 C ATOM 1132 CE LYS A 73 -47.584 -42.424 64.077 1.00 1.81 C ATOM 1133 NZ LYS A 73 -48.986 -42.791 63.829 1.00 4.65 N ATOM 0 H LYS A 73 -52.071 -41.845 67.036 1.00 0.03 H new ATOM 0 HA LYS A 73 -49.478 -40.881 68.315 1.00 0.03 H new ATOM 0 HB2 LYS A 73 -49.454 -43.203 67.454 1.00 0.04 H new ATOM 0 HB3 LYS A 73 -49.935 -42.589 65.885 1.00 0.04 H new ATOM 0 HG2 LYS A 73 -47.971 -40.863 66.146 1.00 0.06 H new ATOM 0 HG3 LYS A 73 -47.421 -41.855 67.482 1.00 0.06 H new ATOM 0 HD2 LYS A 73 -46.098 -42.636 65.674 1.00 0.42 H new ATOM 0 HD3 LYS A 73 -47.376 -43.833 65.743 1.00 0.42 H new ATOM 0 HE2 LYS A 73 -47.447 -41.356 63.906 1.00 1.81 H new ATOM 0 HE3 LYS A 73 -46.936 -42.946 63.373 1.00 1.81 H new ATOM 0 HZ1 LYS A 73 -49.070 -43.226 62.888 1.00 4.65 H new ATOM 0 HZ2 LYS A 73 -49.301 -43.469 64.553 1.00 4.65 H new ATOM 0 HZ3 LYS A 73 -49.581 -41.939 63.871 1.00 4.65 H new ATOM 1147 N LEU A 74 -50.219 -38.874 66.805 1.00 0.03 N ATOM 1148 CA LEU A 74 -50.531 -37.754 65.888 1.00 0.04 C ATOM 1149 C LEU A 74 -49.199 -37.431 65.247 1.00 0.03 C ATOM 1150 O LEU A 74 -48.169 -37.568 65.881 1.00 0.04 O ATOM 1151 CB LEU A 74 -51.013 -36.522 66.669 1.00 0.05 C ATOM 1152 CG LEU A 74 -52.057 -36.900 67.755 1.00 0.15 C ATOM 1153 CD1 LEU A 74 -52.428 -35.648 68.588 1.00 0.65 C ATOM 1154 CD2 LEU A 74 -53.331 -37.449 67.102 1.00 1.04 C ATOM 0 H LEU A 74 -49.773 -38.602 67.681 1.00 0.03 H new ATOM 0 HA LEU A 74 -51.315 -38.015 65.178 1.00 0.04 H new ATOM 0 HB2 LEU A 74 -50.160 -36.033 67.139 1.00 0.05 H new ATOM 0 HB3 LEU A 74 -51.452 -35.802 65.978 1.00 0.05 H new ATOM 0 HG LEU A 74 -51.620 -37.662 68.400 1.00 0.15 H new ATOM 0 HD11 LEU A 74 -53.161 -35.920 69.348 1.00 0.65 H new ATOM 0 HD12 LEU A 74 -51.534 -35.254 69.071 1.00 0.65 H new ATOM 0 HD13 LEU A 74 -52.851 -34.887 67.932 1.00 0.65 H new ATOM 0 HD21 LEU A 74 -54.053 -37.710 67.876 1.00 1.04 H new ATOM 0 HD22 LEU A 74 -53.759 -36.691 66.446 1.00 1.04 H new ATOM 0 HD23 LEU A 74 -53.087 -38.337 66.519 1.00 1.04 H new ATOM 1166 N THR A 75 -49.249 -37.011 64.032 1.00 0.04 N ATOM 1167 CA THR A 75 -48.011 -36.660 63.303 1.00 0.05 C ATOM 1168 C THR A 75 -48.338 -35.189 63.056 1.00 0.05 C ATOM 1169 O THR A 75 -49.433 -34.898 62.607 1.00 0.11 O ATOM 1170 CB THR A 75 -47.981 -37.564 62.047 1.00 0.06 C ATOM 1171 OG1 THR A 75 -48.017 -38.885 62.584 1.00 0.06 O ATOM 1172 CG2 THR A 75 -46.634 -37.490 61.315 1.00 0.07 C ATOM 0 H THR A 75 -50.110 -36.892 63.498 1.00 0.04 H new ATOM 0 HA THR A 75 -47.030 -36.795 63.759 1.00 0.05 H new ATOM 0 HB THR A 75 -48.782 -37.282 61.364 1.00 0.06 H new ATOM 0 HG1 THR A 75 -48.691 -39.414 62.107 1.00 0.06 H new ATOM 0 HG21 THR A 75 -46.659 -38.140 60.440 1.00 0.07 H new ATOM 0 HG22 THR A 75 -46.448 -36.464 60.999 1.00 0.07 H new ATOM 0 HG23 THR A 75 -45.838 -37.814 61.985 1.00 0.07 H new ATOM 1180 N ILE A 76 -47.425 -34.311 63.359 1.00 0.05 N ATOM 1181 CA ILE A 76 -47.654 -32.858 63.160 1.00 0.05 C ATOM 1182 C ILE A 76 -46.586 -32.411 62.183 1.00 0.06 C ATOM 1183 O ILE A 76 -45.510 -32.974 62.131 1.00 0.08 O ATOM 1184 CB ILE A 76 -47.480 -32.104 64.488 1.00 0.07 C ATOM 1185 CG1 ILE A 76 -48.260 -32.861 65.592 1.00 0.07 C ATOM 1186 CG2 ILE A 76 -48.002 -30.650 64.316 1.00 0.08 C ATOM 1187 CD1 ILE A 76 -48.195 -32.108 66.935 1.00 0.00 C ATOM 0 H ILE A 76 -46.511 -34.547 63.744 1.00 0.05 H new ATOM 0 HA ILE A 76 -48.661 -32.658 62.794 1.00 0.05 H new ATOM 0 HB ILE A 76 -46.430 -32.056 64.777 1.00 0.07 H new ATOM 0 HG12 ILE A 76 -49.300 -32.981 65.289 1.00 0.07 H new ATOM 0 HG13 ILE A 76 -47.846 -33.862 65.713 1.00 0.07 H new ATOM 0 HG21 ILE A 76 -47.883 -30.107 65.254 1.00 0.08 H new ATOM 0 HG22 ILE A 76 -47.433 -30.150 63.532 1.00 0.08 H new ATOM 0 HG23 ILE A 76 -49.057 -30.672 64.041 1.00 0.08 H new ATOM 0 HD11 ILE A 76 -48.751 -32.663 67.691 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -47.155 -32.011 67.248 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -48.632 -31.117 66.818 1.00 0.00 H new ATOM 1199 N SER A 77 -46.925 -31.396 61.465 1.00 0.07 N ATOM 1200 CA SER A 77 -46.029 -30.807 60.445 1.00 0.10 C ATOM 1201 C SER A 77 -45.665 -29.380 60.886 1.00 0.10 C ATOM 1202 O SER A 77 -46.328 -28.856 61.764 1.00 0.12 O ATOM 1203 CB SER A 77 -46.832 -30.855 59.158 1.00 0.18 C ATOM 1204 OG SER A 77 -48.106 -30.369 59.596 1.00 0.50 O ATOM 0 H SER A 77 -47.827 -30.927 61.545 1.00 0.07 H new ATOM 0 HA SER A 77 -45.083 -31.332 60.310 1.00 0.10 H new ATOM 0 HB2 SER A 77 -46.398 -30.226 58.381 1.00 0.18 H new ATOM 0 HB3 SER A 77 -46.896 -31.865 58.752 1.00 0.18 H new ATOM 0 HG SER A 77 -48.037 -29.414 59.807 1.00 0.50 H new ATOM 1210 N PRO A 78 -44.656 -28.777 60.298 1.00 0.11 N ATOM 1211 CA PRO A 78 -44.266 -27.371 60.595 1.00 0.16 C ATOM 1212 C PRO A 78 -45.484 -26.455 60.734 1.00 0.20 C ATOM 1213 O PRO A 78 -45.657 -25.783 61.732 1.00 0.31 O ATOM 1214 CB PRO A 78 -43.313 -26.993 59.427 1.00 0.24 C ATOM 1215 CG PRO A 78 -43.540 -28.114 58.364 1.00 0.18 C ATOM 1216 CD PRO A 78 -43.773 -29.356 59.246 1.00 0.14 C ATOM 0 HA PRO A 78 -43.768 -27.256 61.558 1.00 0.16 H new ATOM 0 HB2 PRO A 78 -43.550 -26.009 59.023 1.00 0.24 H new ATOM 0 HB3 PRO A 78 -42.274 -26.961 59.756 1.00 0.24 H new ATOM 0 HG2 PRO A 78 -44.397 -27.902 57.725 1.00 0.18 H new ATOM 0 HG3 PRO A 78 -42.677 -28.235 57.710 1.00 0.18 H new ATOM 0 HD2 PRO A 78 -44.254 -30.168 58.701 1.00 0.14 H new ATOM 0 HD3 PRO A 78 -42.845 -29.754 59.656 1.00 0.14 H new ATOM 1224 N ASP A 79 -46.280 -26.481 59.707 1.00 0.20 N ATOM 1225 CA ASP A 79 -47.524 -25.666 59.620 1.00 0.33 C ATOM 1226 C ASP A 79 -48.392 -25.817 60.849 1.00 0.24 C ATOM 1227 O ASP A 79 -49.118 -24.908 61.206 1.00 0.27 O ATOM 1228 CB ASP A 79 -48.363 -26.057 58.329 1.00 0.51 C ATOM 1229 CG ASP A 79 -48.554 -27.543 58.134 1.00 0.45 C ATOM 1230 OD1 ASP A 79 -47.524 -28.180 58.086 1.00 1.43 O ATOM 1231 OD2 ASP A 79 -49.675 -28.025 58.036 1.00 1.63 O ATOM 0 H ASP A 79 -46.112 -27.061 58.885 1.00 0.20 H new ATOM 0 HA ASP A 79 -47.212 -24.624 59.552 1.00 0.33 H new ATOM 0 HB2 ASP A 79 -49.342 -25.582 58.390 1.00 0.51 H new ATOM 0 HB3 ASP A 79 -47.865 -25.649 57.450 1.00 0.51 H new ATOM 1236 N TYR A 80 -48.318 -26.956 61.473 1.00 0.22 N ATOM 1237 CA TYR A 80 -49.132 -27.198 62.687 1.00 0.19 C ATOM 1238 C TYR A 80 -48.258 -27.327 63.928 1.00 0.30 C ATOM 1239 O TYR A 80 -48.792 -27.603 64.989 1.00 0.84 O ATOM 1240 CB TYR A 80 -49.927 -28.488 62.517 1.00 0.16 C ATOM 1241 CG TYR A 80 -51.238 -28.272 61.756 1.00 0.12 C ATOM 1242 CD1 TYR A 80 -51.278 -27.613 60.549 1.00 1.25 C ATOM 1243 CD2 TYR A 80 -52.416 -28.763 62.277 1.00 1.70 C ATOM 1244 CE1 TYR A 80 -52.462 -27.447 59.874 1.00 1.20 C ATOM 1245 CE2 TYR A 80 -53.606 -28.597 61.600 1.00 1.77 C ATOM 1246 CZ TYR A 80 -53.637 -27.942 60.395 1.00 0.15 C ATOM 1247 OH TYR A 80 -54.812 -27.789 59.702 1.00 0.21 O ATOM 0 H TYR A 80 -47.723 -27.735 61.190 1.00 0.22 H new ATOM 0 HA TYR A 80 -49.800 -26.346 62.816 1.00 0.19 H new ATOM 0 HB2 TYR A 80 -49.318 -29.219 61.985 1.00 0.16 H new ATOM 0 HB3 TYR A 80 -50.145 -28.909 63.499 1.00 0.16 H new ATOM 0 HD1 TYR A 80 -50.365 -27.221 60.126 1.00 1.25 H new ATOM 0 HD2 TYR A 80 -52.407 -29.282 63.224 1.00 1.70 H new ATOM 0 HE1 TYR A 80 -52.472 -26.925 58.929 1.00 1.20 H new ATOM 0 HE2 TYR A 80 -54.521 -28.986 62.022 1.00 1.77 H new ATOM 0 HH TYR A 80 -55.546 -28.196 60.208 1.00 0.21 H new ATOM 1257 N ALA A 81 -46.979 -27.142 63.791 1.00 0.46 N ATOM 1258 CA ALA A 81 -46.064 -27.256 64.966 1.00 0.59 C ATOM 1259 C ALA A 81 -45.402 -25.913 65.243 1.00 0.51 C ATOM 1260 O ALA A 81 -46.068 -24.954 65.573 1.00 2.03 O ATOM 1261 CB ALA A 81 -44.994 -28.350 64.670 1.00 0.83 C ATOM 0 H ALA A 81 -46.520 -26.914 62.909 1.00 0.46 H new ATOM 0 HA ALA A 81 -46.631 -27.542 65.852 1.00 0.59 H new ATOM 0 HB1 ALA A 81 -44.321 -28.441 65.523 1.00 0.83 H new ATOM 0 HB2 ALA A 81 -45.489 -29.305 64.495 1.00 0.83 H new ATOM 0 HB3 ALA A 81 -44.423 -28.070 63.785 1.00 0.83 H new ATOM 1267 N TYR A 82 -44.110 -25.868 65.092 1.00 0.33 N ATOM 1268 CA TYR A 82 -43.349 -24.618 65.338 1.00 0.59 C ATOM 1269 C TYR A 82 -42.801 -24.227 63.964 1.00 1.12 C ATOM 1270 O TYR A 82 -41.612 -24.111 63.763 1.00 3.42 O ATOM 1271 CB TYR A 82 -42.209 -24.917 66.343 1.00 0.52 C ATOM 1272 CG TYR A 82 -42.704 -25.685 67.604 1.00 0.36 C ATOM 1273 CD1 TYR A 82 -43.404 -25.034 68.604 1.00 1.11 C ATOM 1274 CD2 TYR A 82 -42.449 -27.039 67.779 1.00 0.97 C ATOM 1275 CE1 TYR A 82 -43.825 -25.705 69.733 1.00 1.09 C ATOM 1276 CE2 TYR A 82 -42.875 -27.701 68.920 1.00 1.13 C ATOM 1277 CZ TYR A 82 -43.568 -27.044 69.907 1.00 0.50 C ATOM 1278 OH TYR A 82 -44.018 -27.677 71.051 1.00 0.75 O ATOM 0 H TYR A 82 -43.539 -26.662 64.802 1.00 0.33 H new ATOM 0 HA TYR A 82 -43.948 -23.814 65.766 1.00 0.59 H new ATOM 0 HB2 TYR A 82 -41.437 -25.504 65.846 1.00 0.52 H new ATOM 0 HB3 TYR A 82 -41.748 -23.979 66.652 1.00 0.52 H new ATOM 0 HD1 TYR A 82 -43.625 -23.982 68.499 1.00 1.11 H new ATOM 0 HD2 TYR A 82 -41.912 -27.583 67.016 1.00 0.97 H new ATOM 0 HE1 TYR A 82 -44.368 -25.167 70.496 1.00 1.09 H new ATOM 0 HE2 TYR A 82 -42.658 -28.753 69.035 1.00 1.13 H new ATOM 0 HH TYR A 82 -43.758 -28.622 71.026 1.00 0.75 H new ATOM 1288 N GLY A 83 -43.722 -24.043 63.061 1.00 1.46 N ATOM 1289 CA GLY A 83 -43.437 -23.658 61.642 1.00 2.09 C ATOM 1290 C GLY A 83 -41.995 -23.812 61.145 1.00 2.39 C ATOM 1291 O GLY A 83 -41.632 -24.867 60.663 1.00 4.82 O ATOM 0 H GLY A 83 -44.717 -24.149 63.258 1.00 1.46 H new ATOM 0 HA2 GLY A 83 -44.081 -24.254 60.996 1.00 2.09 H new ATOM 0 HA3 GLY A 83 -43.729 -22.616 61.511 1.00 2.09 H new ATOM 1295 N ALA A 84 -41.211 -22.779 61.272 1.00 2.88 N ATOM 1296 CA ALA A 84 -39.791 -22.840 60.804 1.00 4.27 C ATOM 1297 C ALA A 84 -38.832 -22.470 61.919 1.00 4.23 C ATOM 1298 O ALA A 84 -37.766 -23.038 62.052 1.00 6.59 O ATOM 1299 CB ALA A 84 -39.587 -21.864 59.633 1.00 6.86 C ATOM 0 H ALA A 84 -41.491 -21.888 61.682 1.00 2.88 H new ATOM 0 HA ALA A 84 -39.586 -23.862 60.485 1.00 4.27 H new ATOM 0 HB1 ALA A 84 -38.552 -21.912 59.296 1.00 6.86 H new ATOM 0 HB2 ALA A 84 -40.249 -22.138 58.812 1.00 6.86 H new ATOM 0 HB3 ALA A 84 -39.815 -20.850 59.961 1.00 6.86 H new ATOM 1305 N THR A 85 -39.245 -21.516 62.687 1.00 3.96 N ATOM 1306 CA THR A 85 -38.419 -21.036 63.811 1.00 4.99 C ATOM 1307 C THR A 85 -38.775 -21.874 65.049 1.00 4.18 C ATOM 1308 O THR A 85 -39.695 -21.585 65.790 1.00 6.52 O ATOM 1309 CB THR A 85 -38.752 -19.531 63.975 1.00 8.94 C ATOM 1310 OG1 THR A 85 -38.937 -19.076 62.627 1.00 11.57 O ATOM 1311 CG2 THR A 85 -37.536 -18.730 64.490 1.00 12.67 C ATOM 0 H THR A 85 -40.140 -21.039 62.580 1.00 3.96 H new ATOM 0 HA THR A 85 -37.346 -21.143 63.652 1.00 4.99 H new ATOM 0 HB THR A 85 -39.591 -19.401 64.659 1.00 8.94 H new ATOM 0 HG1 THR A 85 -39.156 -18.121 62.631 1.00 11.57 H new ATOM 0 HG21 THR A 85 -37.809 -17.680 64.592 1.00 12.67 H new ATOM 0 HG22 THR A 85 -37.227 -19.121 65.460 1.00 12.67 H new ATOM 0 HG23 THR A 85 -36.712 -18.824 63.782 1.00 12.67 H new ATOM 1319 N GLY A 86 -38.010 -22.912 65.201 1.00 3.26 N ATOM 1320 CA GLY A 86 -38.184 -23.847 66.341 1.00 3.97 C ATOM 1321 C GLY A 86 -37.115 -23.424 67.335 1.00 4.00 C ATOM 1322 O GLY A 86 -36.627 -22.309 67.259 1.00 5.68 O ATOM 0 H GLY A 86 -37.251 -23.158 64.566 1.00 3.26 H new ATOM 0 HA2 GLY A 86 -39.182 -23.769 66.772 1.00 3.97 H new ATOM 0 HA3 GLY A 86 -38.051 -24.883 66.030 1.00 3.97 H new ATOM 1326 N HIS A 87 -36.749 -24.284 68.243 1.00 3.05 N ATOM 1327 CA HIS A 87 -35.709 -23.901 69.233 1.00 3.71 C ATOM 1328 C HIS A 87 -34.512 -24.822 68.965 1.00 3.06 C ATOM 1329 O HIS A 87 -34.632 -26.026 69.135 1.00 3.40 O ATOM 1330 CB HIS A 87 -36.195 -24.123 70.674 1.00 5.10 C ATOM 1331 CG HIS A 87 -35.263 -23.291 71.559 1.00 8.54 C ATOM 1332 ND1 HIS A 87 -35.224 -21.997 71.553 1.00 12.64 N ATOM 1333 CD2 HIS A 87 -34.311 -23.658 72.494 1.00 12.67 C ATOM 1334 CE1 HIS A 87 -34.334 -21.585 72.400 1.00 18.52 C ATOM 1335 NE2 HIS A 87 -33.744 -22.584 73.006 1.00 18.56 N ATOM 0 H HIS A 87 -37.122 -25.228 68.341 1.00 3.05 H new ATOM 0 HA HIS A 87 -35.461 -22.845 69.131 1.00 3.71 H new ATOM 0 HB2 HIS A 87 -37.231 -23.806 70.791 1.00 5.10 H new ATOM 0 HB3 HIS A 87 -36.152 -25.178 70.943 1.00 5.10 H new ATOM 0 HD2 HIS A 87 -34.068 -24.675 72.764 1.00 12.67 H new ATOM 0 HE1 HIS A 87 -34.107 -20.545 72.583 1.00 18.52 H new ATOM 0 HE2 HIS A 87 -33.011 -22.541 73.714 1.00 18.56 H new ATOM 1343 N PRO A 88 -33.404 -24.251 68.559 1.00 3.71 N ATOM 1344 CA PRO A 88 -32.251 -24.998 67.993 1.00 3.86 C ATOM 1345 C PRO A 88 -31.721 -26.071 68.955 1.00 3.12 C ATOM 1346 O PRO A 88 -30.826 -25.808 69.732 1.00 4.65 O ATOM 1347 CB PRO A 88 -31.213 -23.898 67.657 1.00 6.06 C ATOM 1348 CG PRO A 88 -31.581 -22.755 68.642 1.00 8.00 C ATOM 1349 CD PRO A 88 -33.117 -22.783 68.628 1.00 6.30 C ATOM 0 HA PRO A 88 -32.519 -25.574 67.107 1.00 3.86 H new ATOM 0 HB2 PRO A 88 -30.192 -24.248 67.808 1.00 6.06 H new ATOM 0 HB3 PRO A 88 -31.289 -23.576 66.619 1.00 6.06 H new ATOM 0 HG2 PRO A 88 -31.181 -22.935 69.640 1.00 8.00 H new ATOM 0 HG3 PRO A 88 -31.190 -21.793 68.311 1.00 8.00 H new ATOM 0 HD2 PRO A 88 -33.541 -22.327 69.522 1.00 6.30 H new ATOM 0 HD3 PRO A 88 -33.527 -22.247 67.772 1.00 6.30 H new ATOM 1357 N GLY A 89 -32.273 -27.246 68.895 1.00 2.99 N ATOM 1358 CA GLY A 89 -31.795 -28.328 69.806 1.00 3.19 C ATOM 1359 C GLY A 89 -32.971 -29.168 70.232 1.00 2.40 C ATOM 1360 O GLY A 89 -32.867 -30.374 70.351 1.00 2.56 O ATOM 0 H GLY A 89 -33.029 -27.508 68.262 1.00 2.99 H new ATOM 0 HA2 GLY A 89 -31.055 -28.947 69.299 1.00 3.19 H new ATOM 0 HA3 GLY A 89 -31.305 -27.896 70.679 1.00 3.19 H new ATOM 1364 N ILE A 90 -34.071 -28.507 70.436 1.00 1.88 N ATOM 1365 CA ILE A 90 -35.297 -29.234 70.867 1.00 1.39 C ATOM 1366 C ILE A 90 -36.049 -29.467 69.565 1.00 1.07 C ATOM 1367 O ILE A 90 -36.342 -30.578 69.173 1.00 1.08 O ATOM 1368 CB ILE A 90 -36.116 -28.331 71.838 1.00 1.39 C ATOM 1369 CG1 ILE A 90 -35.113 -27.582 72.773 1.00 2.00 C ATOM 1370 CG2 ILE A 90 -37.070 -29.225 72.673 1.00 1.21 C ATOM 1371 CD1 ILE A 90 -35.845 -26.778 73.871 1.00 0.00 C ATOM 0 H ILE A 90 -34.177 -27.499 70.324 1.00 1.88 H new ATOM 0 HA ILE A 90 -35.097 -30.165 71.398 1.00 1.39 H new ATOM 0 HB ILE A 90 -36.710 -27.603 71.285 1.00 1.39 H new ATOM 0 HG12 ILE A 90 -34.441 -28.303 73.238 1.00 2.00 H new ATOM 0 HG13 ILE A 90 -34.496 -26.908 72.179 1.00 2.00 H new ATOM 0 HG21 ILE A 90 -37.648 -28.602 73.356 1.00 1.21 H new ATOM 0 HG22 ILE A 90 -37.748 -29.757 72.005 1.00 1.21 H new ATOM 0 HG23 ILE A 90 -36.486 -29.945 73.245 1.00 1.21 H new ATOM 0 HD11 ILE A 90 -35.113 -26.272 74.500 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -36.498 -26.039 73.407 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -36.441 -27.456 74.482 1.00 0.00 H new ATOM 1383 N ILE A 91 -36.323 -28.369 68.936 1.00 1.02 N ATOM 1384 CA ILE A 91 -37.048 -28.363 67.647 1.00 0.89 C ATOM 1385 C ILE A 91 -36.137 -27.505 66.765 1.00 0.99 C ATOM 1386 O ILE A 91 -36.240 -26.296 66.791 1.00 1.24 O ATOM 1387 CB ILE A 91 -38.457 -27.734 67.878 1.00 1.01 C ATOM 1388 CG1 ILE A 91 -39.350 -28.764 68.678 1.00 1.03 C ATOM 1389 CG2 ILE A 91 -39.123 -27.466 66.511 1.00 1.41 C ATOM 1390 CD1 ILE A 91 -39.967 -28.129 69.933 1.00 0.00 C ATOM 0 H ILE A 91 -36.065 -27.442 69.275 1.00 1.02 H new ATOM 0 HA ILE A 91 -37.233 -29.338 67.196 1.00 0.89 H new ATOM 0 HB ILE A 91 -38.358 -26.802 68.435 1.00 1.01 H new ATOM 0 HG12 ILE A 91 -40.144 -29.136 68.031 1.00 1.03 H new ATOM 0 HG13 ILE A 91 -38.744 -29.623 68.966 1.00 1.03 H new ATOM 0 HG21 ILE A 91 -40.108 -27.026 66.666 1.00 1.41 H new ATOM 0 HG22 ILE A 91 -38.505 -26.778 65.934 1.00 1.41 H new ATOM 0 HG23 ILE A 91 -39.226 -28.405 65.966 1.00 1.41 H new ATOM 0 HD11 ILE A 91 -40.573 -28.869 70.455 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -39.172 -27.781 70.593 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -40.594 -27.286 69.643 1.00 0.00 H new ATOM 1402 N PRO A 92 -35.253 -28.127 66.027 1.00 1.04 N ATOM 1403 CA PRO A 92 -34.620 -27.472 64.851 1.00 1.19 C ATOM 1404 C PRO A 92 -35.735 -27.007 63.885 1.00 1.06 C ATOM 1405 O PRO A 92 -36.884 -27.355 64.076 1.00 0.94 O ATOM 1406 CB PRO A 92 -33.697 -28.567 64.287 1.00 1.50 C ATOM 1407 CG PRO A 92 -33.384 -29.450 65.540 1.00 1.58 C ATOM 1408 CD PRO A 92 -34.753 -29.511 66.249 1.00 1.21 C ATOM 0 HA PRO A 92 -34.042 -26.572 65.063 1.00 1.19 H new ATOM 0 HB2 PRO A 92 -34.187 -29.142 63.501 1.00 1.50 H new ATOM 0 HB3 PRO A 92 -32.790 -28.146 63.854 1.00 1.50 H new ATOM 0 HG2 PRO A 92 -33.026 -30.441 65.260 1.00 1.58 H new ATOM 0 HG3 PRO A 92 -32.618 -29.002 66.173 1.00 1.58 H new ATOM 0 HD2 PRO A 92 -35.411 -30.262 65.811 1.00 1.21 H new ATOM 0 HD3 PRO A 92 -34.658 -29.750 67.308 1.00 1.21 H new ATOM 1416 N PRO A 93 -35.391 -26.238 62.878 1.00 1.30 N ATOM 1417 CA PRO A 93 -36.380 -25.837 61.848 1.00 1.43 C ATOM 1418 C PRO A 93 -36.996 -27.065 61.159 1.00 1.21 C ATOM 1419 O PRO A 93 -36.529 -28.172 61.331 1.00 1.43 O ATOM 1420 CB PRO A 93 -35.573 -24.919 60.902 1.00 1.94 C ATOM 1421 CG PRO A 93 -34.112 -25.429 61.079 1.00 1.75 C ATOM 1422 CD PRO A 93 -34.037 -25.680 62.601 1.00 1.67 C ATOM 0 HA PRO A 93 -37.247 -25.314 62.251 1.00 1.43 H new ATOM 0 HB2 PRO A 93 -35.909 -25.009 59.869 1.00 1.94 H new ATOM 0 HB3 PRO A 93 -35.670 -23.869 61.179 1.00 1.94 H new ATOM 0 HG2 PRO A 93 -33.926 -26.338 60.507 1.00 1.75 H new ATOM 0 HG3 PRO A 93 -33.380 -24.690 60.751 1.00 1.75 H new ATOM 0 HD2 PRO A 93 -33.244 -26.380 62.863 1.00 1.67 H new ATOM 0 HD3 PRO A 93 -33.849 -24.763 63.159 1.00 1.67 H new ATOM 1430 N HIS A 94 -38.010 -26.783 60.387 1.00 1.23 N ATOM 1431 CA HIS A 94 -38.790 -27.797 59.605 1.00 1.21 C ATOM 1432 C HIS A 94 -38.637 -29.250 60.071 1.00 0.93 C ATOM 1433 O HIS A 94 -38.242 -30.103 59.299 1.00 1.11 O ATOM 1434 CB HIS A 94 -38.383 -27.738 58.109 1.00 1.71 C ATOM 1435 CG HIS A 94 -38.548 -26.329 57.553 1.00 3.95 C ATOM 1436 ND1 HIS A 94 -37.788 -25.329 57.847 1.00 6.60 N ATOM 1437 CD2 HIS A 94 -39.478 -25.807 56.673 1.00 7.97 C ATOM 1438 CE1 HIS A 94 -38.193 -24.273 57.216 1.00 10.92 C ATOM 1439 NE2 HIS A 94 -39.242 -24.527 56.474 1.00 11.93 N ATOM 0 H HIS A 94 -38.352 -25.831 60.258 1.00 1.23 H new ATOM 0 HA HIS A 94 -39.832 -27.522 59.769 1.00 1.21 H new ATOM 0 HB2 HIS A 94 -37.347 -28.058 57.998 1.00 1.71 H new ATOM 0 HB3 HIS A 94 -38.995 -28.433 57.534 1.00 1.71 H new ATOM 0 HD2 HIS A 94 -40.280 -26.367 56.216 1.00 7.97 H new ATOM 0 HE1 HIS A 94 -37.724 -23.303 57.292 1.00 10.92 H new ATOM 0 HE2 HIS A 94 -39.759 -23.880 55.878 1.00 11.93 H new ATOM 1447 N ALA A 95 -38.956 -29.493 61.310 1.00 0.66 N ATOM 1448 CA ALA A 95 -38.847 -30.876 61.851 1.00 0.58 C ATOM 1449 C ALA A 95 -40.301 -31.250 62.073 1.00 0.54 C ATOM 1450 O ALA A 95 -41.090 -30.409 62.473 1.00 1.50 O ATOM 1451 CB ALA A 95 -38.085 -30.872 63.189 1.00 0.55 C ATOM 0 H ALA A 95 -39.288 -28.793 61.973 1.00 0.66 H new ATOM 0 HA ALA A 95 -38.309 -31.563 61.197 1.00 0.58 H new ATOM 0 HB1 ALA A 95 -38.014 -31.891 63.571 1.00 0.55 H new ATOM 0 HB2 ALA A 95 -37.083 -30.472 63.036 1.00 0.55 H new ATOM 0 HB3 ALA A 95 -38.618 -30.251 63.909 1.00 0.55 H new ATOM 1457 N THR A 96 -40.628 -32.472 61.820 1.00 0.19 N ATOM 1458 CA THR A 96 -42.022 -32.942 62.002 1.00 0.12 C ATOM 1459 C THR A 96 -42.025 -33.442 63.453 1.00 0.12 C ATOM 1460 O THR A 96 -41.032 -33.958 63.943 1.00 0.22 O ATOM 1461 CB THR A 96 -42.224 -34.037 60.939 1.00 0.12 C ATOM 1462 OG1 THR A 96 -41.687 -33.472 59.746 1.00 0.14 O ATOM 1463 CG2 THR A 96 -43.669 -34.324 60.553 1.00 0.12 C ATOM 0 H THR A 96 -39.978 -33.184 61.487 1.00 0.19 H new ATOM 0 HA THR A 96 -42.829 -32.222 61.870 1.00 0.12 H new ATOM 0 HB THR A 96 -41.785 -34.952 61.337 1.00 0.12 H new ATOM 0 HG1 THR A 96 -40.717 -33.608 59.728 1.00 0.14 H new ATOM 0 HG21 THR A 96 -43.695 -35.110 59.799 1.00 0.12 H new ATOM 0 HG22 THR A 96 -44.223 -34.648 61.434 1.00 0.12 H new ATOM 0 HG23 THR A 96 -44.124 -33.420 60.150 1.00 0.12 H new ATOM 1471 N LEU A 97 -43.129 -33.293 64.123 1.00 0.09 N ATOM 1472 CA LEU A 97 -43.215 -33.741 65.524 1.00 0.10 C ATOM 1473 C LEU A 97 -44.187 -34.902 65.511 1.00 0.08 C ATOM 1474 O LEU A 97 -45.097 -34.888 64.706 1.00 0.10 O ATOM 1475 CB LEU A 97 -43.784 -32.634 66.363 1.00 0.12 C ATOM 1476 CG LEU A 97 -43.049 -31.265 66.228 1.00 0.18 C ATOM 1477 CD1 LEU A 97 -43.668 -30.319 67.262 1.00 0.23 C ATOM 1478 CD2 LEU A 97 -41.538 -31.320 66.564 1.00 0.30 C ATOM 0 H LEU A 97 -43.981 -32.875 63.750 1.00 0.09 H new ATOM 0 HA LEU A 97 -42.242 -34.019 65.929 1.00 0.10 H new ATOM 0 HB2 LEU A 97 -44.831 -32.496 66.095 1.00 0.12 H new ATOM 0 HB3 LEU A 97 -43.761 -32.941 67.409 1.00 0.12 H new ATOM 0 HG LEU A 97 -43.155 -30.951 65.190 1.00 0.18 H new ATOM 0 HD11 LEU A 97 -43.181 -29.346 67.202 1.00 0.23 H new ATOM 0 HD12 LEU A 97 -44.733 -30.205 67.060 1.00 0.23 H new ATOM 0 HD13 LEU A 97 -43.531 -30.732 68.261 1.00 0.23 H new ATOM 0 HD21 LEU A 97 -41.103 -30.328 66.445 1.00 0.30 H new ATOM 0 HD22 LEU A 97 -41.406 -31.653 67.593 1.00 0.30 H new ATOM 0 HD23 LEU A 97 -41.041 -32.018 65.890 1.00 0.30 H new ATOM 1490 N VAL A 98 -44.007 -35.853 66.369 1.00 0.08 N ATOM 1491 CA VAL A 98 -44.933 -37.010 66.404 1.00 0.07 C ATOM 1492 C VAL A 98 -45.371 -36.966 67.864 1.00 0.07 C ATOM 1493 O VAL A 98 -44.515 -36.851 68.719 1.00 0.21 O ATOM 1494 CB VAL A 98 -44.137 -38.293 66.057 1.00 0.09 C ATOM 1495 CG1 VAL A 98 -45.115 -39.476 65.876 1.00 0.11 C ATOM 1496 CG2 VAL A 98 -43.315 -38.075 64.746 1.00 0.11 C ATOM 0 H VAL A 98 -43.252 -35.881 67.055 1.00 0.08 H new ATOM 0 HA VAL A 98 -45.770 -36.992 65.706 1.00 0.07 H new ATOM 0 HB VAL A 98 -43.447 -38.518 66.871 1.00 0.09 H new ATOM 0 HG11 VAL A 98 -44.554 -40.378 65.632 1.00 0.11 H new ATOM 0 HG12 VAL A 98 -45.671 -39.633 66.800 1.00 0.11 H new ATOM 0 HG13 VAL A 98 -45.811 -39.252 65.068 1.00 0.11 H new ATOM 0 HG21 VAL A 98 -42.759 -38.982 64.510 1.00 0.11 H new ATOM 0 HG22 VAL A 98 -43.994 -37.842 63.926 1.00 0.11 H new ATOM 0 HG23 VAL A 98 -42.618 -37.249 64.887 1.00 0.11 H new ATOM 1506 N PHE A 99 -46.646 -37.034 68.113 1.00 0.03 N ATOM 1507 CA PHE A 99 -47.155 -37.001 69.507 1.00 0.04 C ATOM 1508 C PHE A 99 -48.087 -38.155 69.795 1.00 0.04 C ATOM 1509 O PHE A 99 -49.190 -38.179 69.279 1.00 0.08 O ATOM 1510 CB PHE A 99 -47.963 -35.754 69.829 1.00 0.06 C ATOM 1511 CG PHE A 99 -47.060 -34.579 70.134 1.00 0.06 C ATOM 1512 CD1 PHE A 99 -46.535 -33.818 69.124 1.00 1.12 C ATOM 1513 CD2 PHE A 99 -46.779 -34.266 71.448 1.00 0.75 C ATOM 1514 CE1 PHE A 99 -45.731 -32.743 69.428 1.00 1.18 C ATOM 1515 CE2 PHE A 99 -45.976 -33.192 71.749 1.00 0.70 C ATOM 1516 CZ PHE A 99 -45.449 -32.425 70.737 1.00 0.08 C ATOM 0 H PHE A 99 -47.368 -37.112 67.397 1.00 0.03 H new ATOM 0 HA PHE A 99 -46.249 -37.040 70.111 1.00 0.04 H new ATOM 0 HB2 PHE A 99 -48.610 -35.509 68.987 1.00 0.06 H new ATOM 0 HB3 PHE A 99 -48.612 -35.949 70.683 1.00 0.06 H new ATOM 0 HD1 PHE A 99 -46.751 -34.060 68.094 1.00 1.12 H new ATOM 0 HD2 PHE A 99 -47.192 -34.868 72.244 1.00 0.75 H new ATOM 0 HE1 PHE A 99 -45.317 -32.143 68.631 1.00 1.18 H new ATOM 0 HE2 PHE A 99 -45.759 -32.951 72.779 1.00 0.70 H new ATOM 0 HZ PHE A 99 -44.818 -31.579 70.968 1.00 0.08 H new ATOM 1526 N ASP A 100 -47.635 -39.056 70.600 1.00 0.02 N ATOM 1527 CA ASP A 100 -48.442 -40.243 70.980 1.00 0.03 C ATOM 1528 C ASP A 100 -49.161 -39.631 72.158 1.00 0.02 C ATOM 1529 O ASP A 100 -48.595 -39.551 73.231 1.00 0.03 O ATOM 1530 CB ASP A 100 -47.523 -41.406 71.422 1.00 0.03 C ATOM 1531 CG ASP A 100 -46.393 -41.534 70.409 1.00 0.20 C ATOM 1532 OD1 ASP A 100 -45.510 -40.695 70.512 1.00 1.32 O ATOM 1533 OD2 ASP A 100 -46.478 -42.438 69.599 1.00 1.74 O ATOM 0 H ASP A 100 -46.710 -39.023 71.028 1.00 0.02 H new ATOM 0 HA ASP A 100 -49.075 -40.676 70.205 1.00 0.03 H new ATOM 0 HB2 ASP A 100 -47.121 -41.215 72.417 1.00 0.03 H new ATOM 0 HB3 ASP A 100 -48.089 -42.336 71.480 1.00 0.03 H new ATOM 1538 N VAL A 101 -50.372 -39.196 71.948 1.00 0.02 N ATOM 1539 CA VAL A 101 -51.153 -38.567 73.052 1.00 0.03 C ATOM 1540 C VAL A 101 -52.318 -39.457 73.446 1.00 0.03 C ATOM 1541 O VAL A 101 -52.916 -40.125 72.624 1.00 0.04 O ATOM 1542 CB VAL A 101 -51.726 -37.199 72.596 1.00 0.04 C ATOM 1543 CG1 VAL A 101 -52.290 -36.399 73.792 1.00 0.05 C ATOM 1544 CG2 VAL A 101 -50.680 -36.360 71.857 1.00 0.04 C ATOM 0 H VAL A 101 -50.858 -39.249 71.053 1.00 0.02 H new ATOM 0 HA VAL A 101 -50.482 -38.429 73.900 1.00 0.03 H new ATOM 0 HB VAL A 101 -52.539 -37.417 71.904 1.00 0.04 H new ATOM 0 HG11 VAL A 101 -52.684 -35.446 73.439 1.00 0.05 H new ATOM 0 HG12 VAL A 101 -53.089 -36.969 74.266 1.00 0.05 H new ATOM 0 HG13 VAL A 101 -51.495 -36.218 74.516 1.00 0.05 H new ATOM 0 HG21 VAL A 101 -51.122 -35.411 71.555 1.00 0.04 H new ATOM 0 HG22 VAL A 101 -49.832 -36.172 72.516 1.00 0.04 H new ATOM 0 HG23 VAL A 101 -50.340 -36.899 70.973 1.00 0.04 H new ATOM 1554 N GLU A 102 -52.598 -39.403 74.710 1.00 0.03 N ATOM 1555 CA GLU A 102 -53.694 -40.178 75.322 1.00 0.03 C ATOM 1556 C GLU A 102 -54.515 -39.039 75.941 1.00 0.04 C ATOM 1557 O GLU A 102 -53.953 -38.233 76.669 1.00 0.06 O ATOM 1558 CB GLU A 102 -53.004 -41.121 76.329 1.00 0.04 C ATOM 1559 CG GLU A 102 -53.891 -42.279 76.867 1.00 0.10 C ATOM 1560 CD GLU A 102 -53.008 -43.470 77.294 1.00 0.22 C ATOM 1561 OE1 GLU A 102 -51.798 -43.345 77.349 1.00 1.73 O ATOM 1562 OE2 GLU A 102 -53.553 -44.524 77.535 1.00 1.38 O ATOM 0 H GLU A 102 -52.084 -38.823 75.373 1.00 0.03 H new ATOM 0 HA GLU A 102 -54.327 -40.812 74.702 1.00 0.03 H new ATOM 0 HB2 GLU A 102 -52.122 -41.551 75.854 1.00 0.04 H new ATOM 0 HB3 GLU A 102 -52.654 -40.530 77.175 1.00 0.04 H new ATOM 0 HG2 GLU A 102 -54.481 -41.931 77.715 1.00 0.10 H new ATOM 0 HG3 GLU A 102 -54.595 -42.596 76.097 1.00 0.10 H new ATOM 1569 N LEU A 103 -55.789 -38.975 75.654 1.00 0.03 N ATOM 1570 CA LEU A 103 -56.629 -37.882 76.241 1.00 0.03 C ATOM 1571 C LEU A 103 -57.139 -38.651 77.429 1.00 0.03 C ATOM 1572 O LEU A 103 -57.897 -39.594 77.289 1.00 0.04 O ATOM 1573 CB LEU A 103 -57.821 -37.463 75.314 1.00 0.02 C ATOM 1574 CG LEU A 103 -58.761 -36.413 76.045 1.00 0.03 C ATOM 1575 CD1 LEU A 103 -57.987 -35.131 76.489 1.00 0.04 C ATOM 1576 CD2 LEU A 103 -59.939 -35.995 75.109 1.00 0.02 C ATOM 0 H LEU A 103 -56.284 -39.626 75.044 1.00 0.03 H new ATOM 0 HA LEU A 103 -56.109 -36.943 76.428 1.00 0.03 H new ATOM 0 HB2 LEU A 103 -57.435 -37.031 74.390 1.00 0.02 H new ATOM 0 HB3 LEU A 103 -58.399 -38.344 75.037 1.00 0.02 H new ATOM 0 HG LEU A 103 -59.145 -36.905 76.939 1.00 0.03 H new ATOM 0 HD11 LEU A 103 -58.674 -34.444 76.984 1.00 0.04 H new ATOM 0 HD12 LEU A 103 -57.190 -35.408 77.180 1.00 0.04 H new ATOM 0 HD13 LEU A 103 -57.556 -34.645 75.614 1.00 0.04 H new ATOM 0 HD21 LEU A 103 -60.575 -35.275 75.624 1.00 0.02 H new ATOM 0 HD22 LEU A 103 -59.540 -35.543 74.201 1.00 0.02 H new ATOM 0 HD23 LEU A 103 -60.526 -36.875 74.848 1.00 0.02 H new ATOM 1588 N LEU A 104 -56.701 -38.203 78.561 1.00 0.04 N ATOM 1589 CA LEU A 104 -57.085 -38.850 79.828 1.00 0.05 C ATOM 1590 C LEU A 104 -58.461 -38.401 80.240 1.00 0.05 C ATOM 1591 O LEU A 104 -59.344 -39.208 80.446 1.00 0.06 O ATOM 1592 CB LEU A 104 -56.032 -38.463 80.883 1.00 0.06 C ATOM 1593 CG LEU A 104 -54.595 -38.747 80.319 1.00 0.11 C ATOM 1594 CD1 LEU A 104 -53.542 -38.087 81.219 1.00 0.17 C ATOM 1595 CD2 LEU A 104 -54.328 -40.270 80.261 1.00 0.34 C ATOM 0 H LEU A 104 -56.081 -37.400 78.661 1.00 0.04 H new ATOM 0 HA LEU A 104 -57.118 -39.934 79.719 1.00 0.05 H new ATOM 0 HB2 LEU A 104 -56.131 -37.409 81.141 1.00 0.06 H new ATOM 0 HB3 LEU A 104 -56.194 -39.032 81.799 1.00 0.06 H new ATOM 0 HG LEU A 104 -54.532 -38.333 79.312 1.00 0.11 H new ATOM 0 HD11 LEU A 104 -52.547 -38.288 80.822 1.00 0.17 H new ATOM 0 HD12 LEU A 104 -53.711 -37.011 81.248 1.00 0.17 H new ATOM 0 HD13 LEU A 104 -53.619 -38.493 82.228 1.00 0.17 H new ATOM 0 HD21 LEU A 104 -53.327 -40.449 79.868 1.00 0.34 H new ATOM 0 HD22 LEU A 104 -54.405 -40.691 81.263 1.00 0.34 H new ATOM 0 HD23 LEU A 104 -55.064 -40.744 79.611 1.00 0.34 H new ATOM 1607 N LYS A 105 -58.628 -37.120 80.344 1.00 0.05 N ATOM 1608 CA LYS A 105 -59.949 -36.591 80.755 1.00 0.07 C ATOM 1609 C LYS A 105 -59.887 -35.090 80.568 1.00 0.06 C ATOM 1610 O LYS A 105 -58.882 -34.549 80.145 1.00 0.06 O ATOM 1611 CB LYS A 105 -60.197 -36.987 82.275 1.00 0.11 C ATOM 1612 CG LYS A 105 -61.595 -36.593 82.851 1.00 1.79 C ATOM 1613 CD LYS A 105 -61.676 -36.993 84.349 1.00 2.05 C ATOM 1614 CE LYS A 105 -62.778 -36.142 85.049 1.00 3.94 C ATOM 1615 NZ LYS A 105 -62.404 -34.685 84.984 1.00 7.50 N ATOM 0 H LYS A 105 -57.911 -36.418 80.163 1.00 0.05 H new ATOM 0 HA LYS A 105 -60.772 -36.999 80.168 1.00 0.07 H new ATOM 0 HB2 LYS A 105 -60.072 -38.065 82.377 1.00 0.11 H new ATOM 0 HB3 LYS A 105 -59.426 -36.517 82.886 1.00 0.11 H new ATOM 0 HG2 LYS A 105 -61.755 -35.520 82.742 1.00 1.79 H new ATOM 0 HG3 LYS A 105 -62.384 -37.091 82.288 1.00 1.79 H new ATOM 0 HD2 LYS A 105 -61.906 -38.054 84.442 1.00 2.05 H new ATOM 0 HD3 LYS A 105 -60.713 -36.832 84.833 1.00 2.05 H new ATOM 0 HE2 LYS A 105 -63.740 -36.303 84.563 1.00 3.94 H new ATOM 0 HE3 LYS A 105 -62.889 -36.454 86.087 1.00 3.94 H new ATOM 0 HZ1 LYS A 105 -63.033 -34.137 85.605 1.00 7.50 H new ATOM 0 HZ2 LYS A 105 -61.419 -34.565 85.296 1.00 7.50 H new ATOM 0 HZ3 LYS A 105 -62.501 -34.345 84.006 1.00 7.50 H new ATOM 1629 N LEU A 106 -60.985 -34.478 80.886 1.00 0.06 N ATOM 1630 CA LEU A 106 -61.103 -33.007 80.790 1.00 0.09 C ATOM 1631 C LEU A 106 -61.095 -32.596 82.245 1.00 0.16 C ATOM 1632 O LEU A 106 -61.446 -33.394 83.108 1.00 0.44 O ATOM 1633 CB LEU A 106 -62.437 -32.496 80.285 1.00 0.11 C ATOM 1634 CG LEU A 106 -62.825 -33.012 78.907 1.00 0.10 C ATOM 1635 CD1 LEU A 106 -64.145 -32.288 78.576 1.00 0.18 C ATOM 1636 CD2 LEU A 106 -61.738 -32.664 77.877 1.00 0.09 C ATOM 0 H LEU A 106 -61.827 -34.950 81.217 1.00 0.06 H new ATOM 0 HA LEU A 106 -60.332 -32.633 80.117 1.00 0.09 H new ATOM 0 HB2 LEU A 106 -63.213 -32.777 80.997 1.00 0.11 H new ATOM 0 HB3 LEU A 106 -62.409 -31.407 80.257 1.00 0.11 H new ATOM 0 HG LEU A 106 -62.936 -34.096 78.885 1.00 0.10 H new ATOM 0 HD11 LEU A 106 -64.497 -32.604 77.594 1.00 0.18 H new ATOM 0 HD12 LEU A 106 -64.895 -32.537 79.327 1.00 0.18 H new ATOM 0 HD13 LEU A 106 -63.978 -31.211 78.573 1.00 0.18 H new ATOM 0 HD21 LEU A 106 -62.031 -33.040 76.897 1.00 0.09 H new ATOM 0 HD22 LEU A 106 -61.616 -31.582 77.828 1.00 0.09 H new ATOM 0 HD23 LEU A 106 -60.795 -33.123 78.174 1.00 0.09 H new ATOM 1648 N GLU A 107 -60.721 -31.385 82.460 1.00 0.15 N ATOM 1649 CA GLU A 107 -60.672 -30.842 83.825 1.00 0.23 C ATOM 1650 C GLU A 107 -61.591 -29.672 83.474 1.00 0.68 C ATOM 1651 O GLU A 107 -62.695 -29.694 83.969 1.00 2.31 O ATOM 1652 CB GLU A 107 -59.189 -30.470 84.154 1.00 0.41 C ATOM 1653 CG GLU A 107 -58.897 -30.861 85.615 1.00 1.19 C ATOM 1654 CD GLU A 107 -57.412 -31.158 85.779 1.00 3.46 C ATOM 1655 OE1 GLU A 107 -56.636 -30.232 85.915 1.00 6.58 O ATOM 1656 OE2 GLU A 107 -57.094 -32.334 85.749 1.00 5.90 O ATOM 1657 OXT GLU A 107 -61.164 -28.831 82.705 1.00 1.72 O ATOM 0 H GLU A 107 -60.440 -30.731 81.729 1.00 0.15 H new ATOM 0 HA GLU A 107 -60.961 -31.426 84.699 1.00 0.23 H new ATOM 0 HB2 GLU A 107 -58.510 -30.992 83.480 1.00 0.41 H new ATOM 0 HB3 GLU A 107 -59.025 -29.402 84.008 1.00 0.41 H new ATOM 0 HG2 GLU A 107 -59.192 -30.053 86.284 1.00 1.19 H new ATOM 0 HG3 GLU A 107 -59.486 -31.735 85.892 1.00 1.19 H new TER 1664 GLU A 107 END