USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 831 hydrogens (0 hets) HEADER CIS-TRANS ISOMERASE 05-MAR-92 1FKS 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 1FKS 1 VERSN REVDAT 1 31-JAN-94 1FKS 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 1FKS 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 TRP A 59 CG - CD1 - NE1 ANGL. DEV. = -6.1 DEGREES REMARK 500 TRP A 59 CD1 - NE1 - CE2 ANGL. DEV. = 7.4 DEGREES REMARK 500 TRP A 59 NE1 - CE2 - CZ2 ANGL. DEV. = 9.6 DEGREES REMARK 500 TRP A 59 NE1 - CE2 - CD2 ANGL. DEV. = -6.2 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 ILE A 7 -51.39 -123.23 REMARK 500 PRO A 9 164.94 -37.33 REMARK 500 GLU A 31 -56.08 -27.79 REMARK 500 ASP A 32 43.91 -159.33 REMARK 500 LYS A 34 -166.45 -161.06 REMARK 500 SER A 39 61.77 -119.30 REMARK 500 ARG A 40 59.25 -106.02 REMARK 500 ARG A 42 -76.77 -17.37 REMARK 500 PRO A 45 -156.66 -44.53 REMARK 500 GLN A 53 71.67 55.31 REMARK 500 ILE A 56 176.37 -56.10 REMARK 500 TRP A 59 -75.95 -78.27 REMARK 500 GLU A 60 -55.69 -28.13 REMARK 500 GLN A 65 -11.43 -48.61 REMARK 500 VAL A 68 99.40 -45.38 REMARK 500 ALA A 81 -114.31 -84.95 REMARK 500 TYR A 82 69.25 -113.73 REMARK 500 PRO A 93 175.93 -50.64 REMARK 500 HIS A 94 64.47 9.54 REMARK 500 ALA A 95 77.49 -116.32 REMARK 500 THR A 96 126.83 -33.20 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 0.11 SIDE_CHAIN REMARK 500 ARG A 18 0.15 SIDE_CHAIN REMARK 500 ARG A 40 0.08 SIDE_CHAIN REMARK 500 ARG A 42 0.24 SIDE_CHAIN REMARK 500 ARG A 57 0.19 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: 1FKT RELATED DB: PDB DBREF 1FKS 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 25 HIS : no HD1:sc= -3.36! C(o=-6.8!,f=-17!) USER MOD Set 1.2: A 39 SER OG : rot 125:sc= -3.44! USER MOD Set 2.1: A 6 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 70 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=-0.095) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -161:sc= -0.0565 (180deg=-0.428) USER MOD Single : A 20 GLN : amide:sc= -0.614 K(o=-0.61,f=-2.5!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot 146:sc= -0.969 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+ 129:sc= -0.155 (180deg=-1.03) USER MOD Single : A 35 LYS NZ :NH3+ 165:sc= -0.0247 (180deg=-0.334) USER MOD Single : A 38 SER OG : rot 180:sc= -0.0069 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ -160:sc= -0.0889 (180deg=-0.673) USER MOD Single : A 47 LYS NZ :NH3+ 158:sc= -0.939 (180deg=-1.52) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 157:sc= -0.132 (180deg=-0.918) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= -2.69! K(o=-2.7!,f=-0.83) USER MOD Single : A 66 MET CE :methyl 164:sc= -0.77 (180deg=-2.16) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -138:sc= -2.05 (180deg=-5.05!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot -124:sc= -0.838! 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= -0.997 K(o=-1,f=-2.2!) USER MOD Single : A 94 HIS : no HD1:sc= -0.225 K(o=-0.23,f=-3.7!) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.0106 USER MOD Single : A 105 LYS NZ :NH3+ -164:sc= -0.0553 (180deg=-0.453) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -52.287 -30.773 57.188 1.00 1.72 N ATOM 2 CA GLY A 1 -51.388 -30.175 58.214 1.00 0.10 C ATOM 3 C GLY A 1 -51.062 -31.216 59.286 1.00 0.06 C ATOM 4 O GLY A 1 -49.919 -31.591 59.463 1.00 0.08 O ATOM 0 H1 GLY A 1 -52.506 -30.062 56.461 1.00 1.72 H new ATOM 0 H2 GLY A 1 -51.815 -31.587 56.745 1.00 1.72 H new ATOM 0 H3 GLY A 1 -53.169 -31.088 57.640 1.00 1.72 H new ATOM 0 HA2 GLY A 1 -50.469 -29.822 57.745 1.00 0.10 H new ATOM 0 HA3 GLY A 1 -51.867 -29.308 58.669 1.00 0.10 H new ATOM 10 N VAL A 2 -52.077 -31.665 59.981 1.00 0.05 N ATOM 11 CA VAL A 2 -51.891 -32.690 61.065 1.00 0.04 C ATOM 12 C VAL A 2 -52.733 -33.931 60.759 1.00 0.04 C ATOM 13 O VAL A 2 -53.770 -33.837 60.133 1.00 0.05 O ATOM 14 CB VAL A 2 -52.334 -32.080 62.399 1.00 0.04 C ATOM 15 CG1 VAL A 2 -53.848 -31.763 62.371 1.00 0.05 C ATOM 16 CG2 VAL A 2 -52.073 -33.080 63.529 1.00 0.05 C ATOM 0 H VAL A 2 -53.042 -31.363 59.844 1.00 0.05 H new ATOM 0 HA VAL A 2 -50.843 -32.983 61.120 1.00 0.04 H new ATOM 0 HB VAL A 2 -51.771 -31.161 62.563 1.00 0.04 H new ATOM 0 HG11 VAL A 2 -54.147 -31.330 63.326 1.00 0.05 H new ATOM 0 HG12 VAL A 2 -54.056 -31.054 61.570 1.00 0.05 H new ATOM 0 HG13 VAL A 2 -54.409 -32.681 62.197 1.00 0.05 H new ATOM 0 HG21 VAL A 2 -52.388 -32.647 64.478 1.00 0.05 H new ATOM 0 HG22 VAL A 2 -52.636 -33.994 63.343 1.00 0.05 H new ATOM 0 HG23 VAL A 2 -51.009 -33.312 63.571 1.00 0.05 H new ATOM 26 N GLN A 3 -52.277 -35.074 61.201 1.00 0.03 N ATOM 27 CA GLN A 3 -53.031 -36.351 60.963 1.00 0.04 C ATOM 28 C GLN A 3 -53.303 -36.967 62.329 1.00 0.04 C ATOM 29 O GLN A 3 -52.593 -36.709 63.282 1.00 0.04 O ATOM 30 CB GLN A 3 -52.194 -37.328 60.146 1.00 0.05 C ATOM 31 CG GLN A 3 -51.943 -36.756 58.754 1.00 1.50 C ATOM 32 CD GLN A 3 -51.103 -37.769 57.973 1.00 3.37 C ATOM 33 OE1 GLN A 3 -49.962 -38.030 58.299 1.00 6.19 O ATOM 34 NE2 GLN A 3 -51.632 -38.364 56.939 1.00 6.21 N ATOM 0 H GLN A 3 -51.407 -35.183 61.722 1.00 0.03 H new ATOM 0 HA GLN A 3 -53.951 -36.145 60.416 1.00 0.04 H new ATOM 0 HB2 GLN A 3 -51.245 -37.516 60.648 1.00 0.05 H new ATOM 0 HB3 GLN A 3 -52.709 -38.286 60.068 1.00 0.05 H new ATOM 0 HG2 GLN A 3 -52.887 -36.569 58.243 1.00 1.50 H new ATOM 0 HG3 GLN A 3 -51.422 -35.801 58.822 1.00 1.50 H new ATOM 0 HE21 GLN A 3 -52.589 -38.148 56.661 1.00 6.21 H new ATOM 0 HE22 GLN A 3 -51.088 -39.045 56.409 1.00 6.21 H new ATOM 43 N VAL A 4 -54.330 -37.775 62.391 1.00 0.05 N ATOM 44 CA VAL A 4 -54.717 -38.453 63.671 1.00 0.06 C ATOM 45 C VAL A 4 -54.823 -39.949 63.404 1.00 0.06 C ATOM 46 O VAL A 4 -55.764 -40.413 62.792 1.00 0.12 O ATOM 47 CB VAL A 4 -56.066 -37.945 64.134 1.00 0.08 C ATOM 48 CG1 VAL A 4 -56.387 -38.521 65.522 1.00 0.08 C ATOM 49 CG2 VAL A 4 -56.013 -36.431 64.188 1.00 0.12 C ATOM 0 H VAL A 4 -54.929 -37.999 61.596 1.00 0.05 H new ATOM 0 HA VAL A 4 -53.971 -38.247 64.439 1.00 0.06 H new ATOM 0 HB VAL A 4 -56.848 -38.260 63.443 1.00 0.08 H new ATOM 0 HG11 VAL A 4 -57.358 -38.154 65.853 1.00 0.08 H new ATOM 0 HG12 VAL A 4 -56.410 -39.609 65.468 1.00 0.08 H new ATOM 0 HG13 VAL A 4 -55.621 -38.209 66.231 1.00 0.08 H new ATOM 0 HG21 VAL A 4 -56.977 -36.045 64.520 1.00 0.12 H new ATOM 0 HG22 VAL A 4 -55.237 -36.119 64.887 1.00 0.12 H new ATOM 0 HG23 VAL A 4 -55.787 -36.039 63.196 1.00 0.12 H new ATOM 59 N GLU A 5 -53.851 -40.676 63.874 1.00 0.05 N ATOM 60 CA GLU A 5 -53.836 -42.165 63.682 1.00 0.06 C ATOM 61 C GLU A 5 -54.158 -42.789 65.035 1.00 0.06 C ATOM 62 O GLU A 5 -53.322 -42.858 65.913 1.00 0.20 O ATOM 63 CB GLU A 5 -52.449 -42.615 63.216 1.00 0.06 C ATOM 64 CG GLU A 5 -52.173 -42.006 61.838 1.00 1.58 C ATOM 65 CD GLU A 5 -50.840 -42.546 61.316 1.00 3.59 C ATOM 66 OE1 GLU A 5 -50.768 -43.757 61.182 1.00 6.20 O ATOM 67 OE2 GLU A 5 -49.974 -41.719 61.082 1.00 6.39 O ATOM 0 H GLU A 5 -53.053 -40.305 64.390 1.00 0.05 H new ATOM 0 HA GLU A 5 -54.562 -42.471 62.928 1.00 0.06 H new ATOM 0 HB2 GLU A 5 -51.689 -42.296 63.929 1.00 0.06 H new ATOM 0 HB3 GLU A 5 -52.402 -43.703 63.165 1.00 0.06 H new ATOM 0 HG2 GLU A 5 -52.978 -42.257 61.147 1.00 1.58 H new ATOM 0 HG3 GLU A 5 -52.139 -40.919 61.906 1.00 1.58 H new ATOM 74 N THR A 6 -55.378 -43.236 65.171 1.00 0.05 N ATOM 75 CA THR A 6 -55.791 -43.855 66.462 1.00 0.04 C ATOM 76 C THR A 6 -55.315 -45.295 66.600 1.00 0.04 C ATOM 77 O THR A 6 -55.096 -46.004 65.638 1.00 0.06 O ATOM 78 CB THR A 6 -57.319 -43.796 66.549 1.00 0.06 C ATOM 79 OG1 THR A 6 -57.617 -42.411 66.453 1.00 0.08 O ATOM 80 CG2 THR A 6 -57.809 -44.178 67.948 1.00 0.05 C ATOM 0 H THR A 6 -56.100 -43.200 64.451 1.00 0.05 H new ATOM 0 HA THR A 6 -55.329 -43.298 67.277 1.00 0.04 H new ATOM 0 HB THR A 6 -57.764 -44.449 65.798 1.00 0.06 H new ATOM 0 HG1 THR A 6 -58.587 -42.281 66.499 1.00 0.08 H new ATOM 0 HG21 THR A 6 -58.897 -44.127 67.979 1.00 0.05 H new ATOM 0 HG22 THR A 6 -57.487 -45.193 68.182 1.00 0.05 H new ATOM 0 HG23 THR A 6 -57.392 -43.487 68.681 1.00 0.05 H new ATOM 88 N ILE A 7 -55.176 -45.664 67.845 1.00 0.04 N ATOM 89 CA ILE A 7 -54.718 -47.031 68.234 1.00 0.06 C ATOM 90 C ILE A 7 -55.790 -47.632 69.139 1.00 0.05 C ATOM 91 O ILE A 7 -56.257 -48.732 68.920 1.00 0.08 O ATOM 92 CB ILE A 7 -53.392 -46.931 69.008 1.00 0.08 C ATOM 93 CG1 ILE A 7 -52.355 -46.180 68.138 1.00 0.08 C ATOM 94 CG2 ILE A 7 -52.906 -48.375 69.275 1.00 0.13 C ATOM 95 CD1 ILE A 7 -51.171 -45.707 69.003 1.00 0.00 C ATOM 0 H ILE A 7 -55.368 -45.051 68.637 1.00 0.04 H new ATOM 0 HA ILE A 7 -54.562 -47.651 67.351 1.00 0.06 H new ATOM 0 HB ILE A 7 -53.521 -46.391 69.946 1.00 0.08 H new ATOM 0 HG12 ILE A 7 -51.995 -46.834 67.344 1.00 0.08 H new ATOM 0 HG13 ILE A 7 -52.827 -45.324 67.656 1.00 0.08 H new ATOM 0 HG21 ILE A 7 -51.965 -48.346 69.824 1.00 0.13 H new ATOM 0 HG22 ILE A 7 -53.653 -48.907 69.863 1.00 0.13 H new ATOM 0 HG23 ILE A 7 -52.757 -48.890 68.326 1.00 0.13 H new ATOM 0 HD11 ILE A 7 -50.450 -45.181 68.377 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -51.534 -45.036 69.781 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -50.690 -46.570 69.464 1.00 0.00 H new ATOM 107 N SER A 8 -56.154 -46.877 70.147 1.00 0.04 N ATOM 108 CA SER A 8 -57.196 -47.336 71.130 1.00 0.05 C ATOM 109 C SER A 8 -58.378 -46.366 71.220 1.00 0.05 C ATOM 110 O SER A 8 -58.426 -45.568 72.133 1.00 0.04 O ATOM 111 CB SER A 8 -56.550 -47.462 72.504 1.00 0.07 C ATOM 112 OG SER A 8 -57.617 -47.897 73.334 1.00 1.46 O ATOM 0 H SER A 8 -55.771 -45.951 70.336 1.00 0.04 H new ATOM 0 HA SER A 8 -57.583 -48.295 70.786 1.00 0.05 H new ATOM 0 HB2 SER A 8 -55.729 -48.179 72.497 1.00 0.07 H new ATOM 0 HB3 SER A 8 -56.140 -46.511 72.843 1.00 0.07 H new ATOM 0 HG SER A 8 -57.293 -48.009 74.252 1.00 1.46 H new ATOM 118 N PRO A 9 -59.296 -46.442 70.291 1.00 0.05 N ATOM 119 CA PRO A 9 -60.499 -45.571 70.283 1.00 0.06 C ATOM 120 C PRO A 9 -61.053 -45.303 71.689 1.00 0.07 C ATOM 121 O PRO A 9 -60.709 -45.975 72.641 1.00 0.08 O ATOM 122 CB PRO A 9 -61.445 -46.322 69.353 1.00 0.09 C ATOM 123 CG PRO A 9 -60.457 -46.861 68.287 1.00 0.09 C ATOM 124 CD PRO A 9 -59.287 -47.388 69.143 1.00 0.07 C ATOM 0 HA PRO A 9 -60.307 -44.557 69.934 1.00 0.06 H new ATOM 0 HB2 PRO A 9 -61.975 -47.125 69.866 1.00 0.09 H new ATOM 0 HB3 PRO A 9 -62.201 -45.667 68.919 1.00 0.09 H new ATOM 0 HG2 PRO A 9 -60.904 -47.650 67.683 1.00 0.09 H new ATOM 0 HG3 PRO A 9 -60.136 -46.078 67.600 1.00 0.09 H new ATOM 0 HD2 PRO A 9 -59.446 -48.418 69.462 1.00 0.07 H new ATOM 0 HD3 PRO A 9 -58.341 -47.364 68.601 1.00 0.07 H new ATOM 132 N GLY A 10 -61.905 -44.315 71.777 1.00 0.07 N ATOM 133 CA GLY A 10 -62.542 -43.924 73.079 1.00 0.09 C ATOM 134 C GLY A 10 -64.048 -44.068 72.860 1.00 0.11 C ATOM 135 O GLY A 10 -64.451 -44.579 71.834 1.00 0.27 O ATOM 0 H GLY A 10 -62.196 -43.746 70.982 1.00 0.07 H new ATOM 0 HA2 GLY A 10 -62.201 -44.567 73.891 1.00 0.09 H new ATOM 0 HA3 GLY A 10 -62.282 -42.901 73.351 1.00 0.09 H new ATOM 139 N ASP A 11 -64.861 -43.636 73.793 1.00 0.10 N ATOM 140 CA ASP A 11 -66.332 -43.769 73.596 1.00 0.15 C ATOM 141 C ASP A 11 -66.729 -43.339 72.176 1.00 0.14 C ATOM 142 O ASP A 11 -67.347 -44.084 71.442 1.00 0.21 O ATOM 143 CB ASP A 11 -67.044 -42.906 74.646 1.00 0.20 C ATOM 144 CG ASP A 11 -66.647 -41.442 74.484 1.00 0.18 C ATOM 145 OD1 ASP A 11 -65.452 -41.196 74.490 1.00 1.10 O ATOM 146 OD2 ASP A 11 -67.573 -40.657 74.369 1.00 1.62 O ATOM 0 H ASP A 11 -64.572 -43.203 74.670 1.00 0.10 H new ATOM 0 HA ASP A 11 -66.628 -44.811 73.717 1.00 0.15 H new ATOM 0 HB2 ASP A 11 -68.124 -43.011 74.542 1.00 0.20 H new ATOM 0 HB3 ASP A 11 -66.786 -43.252 75.647 1.00 0.20 H new ATOM 151 N GLY A 12 -66.355 -42.133 71.832 1.00 0.12 N ATOM 152 CA GLY A 12 -66.663 -41.575 70.475 1.00 0.15 C ATOM 153 C GLY A 12 -67.723 -40.485 70.573 1.00 0.17 C ATOM 154 O GLY A 12 -68.186 -39.973 69.573 1.00 0.26 O ATOM 0 H GLY A 12 -65.840 -41.499 72.443 1.00 0.12 H new ATOM 0 HA2 GLY A 12 -65.756 -41.169 70.028 1.00 0.15 H new ATOM 0 HA3 GLY A 12 -67.012 -42.372 69.819 1.00 0.15 H new ATOM 158 N ARG A 13 -68.095 -40.146 71.782 1.00 0.14 N ATOM 159 CA ARG A 13 -69.134 -39.086 72.004 1.00 0.16 C ATOM 160 C ARG A 13 -68.691 -37.969 72.958 1.00 0.12 C ATOM 161 O ARG A 13 -69.313 -36.926 72.961 1.00 0.14 O ATOM 162 CB ARG A 13 -70.401 -39.801 72.520 1.00 0.21 C ATOM 163 CG ARG A 13 -70.837 -40.753 71.387 1.00 0.34 C ATOM 164 CD ARG A 13 -72.143 -41.492 71.708 1.00 0.79 C ATOM 165 NE ARG A 13 -71.931 -42.404 72.882 1.00 2.96 N ATOM 166 CZ ARG A 13 -72.824 -42.493 73.834 1.00 6.07 C ATOM 167 NH1 ARG A 13 -74.052 -42.134 73.574 1.00 9.68 N ATOM 168 NH2 ARG A 13 -72.466 -42.939 75.007 1.00 9.66 N ATOM 0 H ARG A 13 -67.721 -40.561 72.635 1.00 0.14 H new ATOM 0 HA ARG A 13 -69.321 -38.571 71.062 1.00 0.16 H new ATOM 0 HB2 ARG A 13 -70.193 -40.353 73.436 1.00 0.21 H new ATOM 0 HB3 ARG A 13 -71.188 -39.083 72.752 1.00 0.21 H new ATOM 0 HG2 ARG A 13 -70.963 -40.183 70.467 1.00 0.34 H new ATOM 0 HG3 ARG A 13 -70.047 -41.481 71.205 1.00 0.34 H new ATOM 0 HD2 ARG A 13 -72.933 -40.775 71.930 1.00 0.79 H new ATOM 0 HD3 ARG A 13 -72.469 -42.068 70.842 1.00 0.79 H new ATOM 0 HE ARG A 13 -71.079 -42.962 72.938 1.00 2.96 H new ATOM 0 HH11 ARG A 13 -74.298 -41.793 72.645 1.00 9.68 H new ATOM 0 HH12 ARG A 13 -74.766 -42.195 74.300 1.00 9.68 H new ATOM 0 HH21 ARG A 13 -71.498 -43.214 75.174 1.00 9.66 H new ATOM 0 HH22 ARG A 13 -73.154 -43.012 75.756 1.00 9.66 H new ATOM 182 N THR A 14 -67.656 -38.162 73.748 1.00 0.09 N ATOM 183 CA THR A 14 -67.212 -37.074 74.685 1.00 0.08 C ATOM 184 C THR A 14 -65.838 -36.578 74.253 1.00 0.06 C ATOM 185 O THR A 14 -64.883 -37.329 74.202 1.00 0.05 O ATOM 186 CB THR A 14 -67.126 -37.638 76.075 1.00 0.09 C ATOM 187 OG1 THR A 14 -68.422 -38.162 76.324 1.00 0.12 O ATOM 188 CG2 THR A 14 -66.966 -36.519 77.109 1.00 0.11 C ATOM 0 H THR A 14 -67.104 -39.019 73.785 1.00 0.09 H new ATOM 0 HA THR A 14 -67.922 -36.247 74.666 1.00 0.08 H new ATOM 0 HB THR A 14 -66.298 -38.343 76.147 1.00 0.09 H new ATOM 0 HG1 THR A 14 -68.449 -38.555 77.221 1.00 0.12 H new ATOM 0 HG21 THR A 14 -66.906 -36.952 78.107 1.00 0.11 H new ATOM 0 HG22 THR A 14 -66.054 -35.959 76.901 1.00 0.11 H new ATOM 0 HG23 THR A 14 -67.824 -35.849 77.055 1.00 0.11 H new ATOM 196 N PHE A 15 -65.775 -35.307 73.949 1.00 0.06 N ATOM 197 CA PHE A 15 -64.503 -34.650 73.501 1.00 0.05 C ATOM 198 C PHE A 15 -64.225 -33.451 74.424 1.00 0.07 C ATOM 199 O PHE A 15 -65.054 -33.157 75.261 1.00 0.10 O ATOM 200 CB PHE A 15 -64.706 -34.191 72.065 1.00 0.07 C ATOM 201 CG PHE A 15 -64.954 -35.406 71.159 1.00 0.08 C ATOM 202 CD1 PHE A 15 -66.151 -36.101 71.209 1.00 1.21 C ATOM 203 CD2 PHE A 15 -63.976 -35.810 70.271 1.00 1.77 C ATOM 204 CE1 PHE A 15 -66.360 -37.187 70.379 1.00 1.12 C ATOM 205 CE2 PHE A 15 -64.184 -36.894 69.442 1.00 1.95 C ATOM 206 CZ PHE A 15 -65.376 -37.582 69.495 1.00 0.16 C ATOM 0 H PHE A 15 -66.575 -34.676 73.993 1.00 0.06 H new ATOM 0 HA PHE A 15 -63.654 -35.332 73.549 1.00 0.05 H new ATOM 0 HB2 PHE A 15 -65.552 -33.506 72.009 1.00 0.07 H new ATOM 0 HB3 PHE A 15 -63.829 -33.643 71.721 1.00 0.07 H new ATOM 0 HD1 PHE A 15 -66.924 -35.794 71.898 1.00 1.21 H new ATOM 0 HD2 PHE A 15 -63.040 -35.273 70.225 1.00 1.77 H new ATOM 0 HE1 PHE A 15 -67.294 -37.727 70.422 1.00 1.12 H new ATOM 0 HE2 PHE A 15 -63.412 -37.202 68.752 1.00 1.95 H new ATOM 0 HZ PHE A 15 -65.541 -38.429 68.846 1.00 0.16 H new ATOM 216 N PRO A 16 -63.108 -32.771 74.290 1.00 0.07 N ATOM 217 CA PRO A 16 -62.949 -31.453 74.957 1.00 0.11 C ATOM 218 C PRO A 16 -63.924 -30.409 74.388 1.00 0.15 C ATOM 219 O PRO A 16 -64.226 -30.417 73.211 1.00 0.24 O ATOM 220 CB PRO A 16 -61.479 -31.076 74.723 1.00 0.13 C ATOM 221 CG PRO A 16 -60.799 -32.433 74.394 1.00 0.08 C ATOM 222 CD PRO A 16 -61.866 -33.158 73.552 1.00 0.06 C ATOM 0 HA PRO A 16 -63.186 -31.494 76.020 1.00 0.11 H new ATOM 0 HB2 PRO A 16 -61.373 -30.366 73.903 1.00 0.13 H new ATOM 0 HB3 PRO A 16 -61.039 -30.611 75.606 1.00 0.13 H new ATOM 0 HG2 PRO A 16 -59.871 -32.296 73.839 1.00 0.08 H new ATOM 0 HG3 PRO A 16 -60.550 -32.990 75.297 1.00 0.08 H new ATOM 0 HD2 PRO A 16 -61.877 -32.819 72.516 1.00 0.06 H new ATOM 0 HD3 PRO A 16 -61.715 -34.237 73.532 1.00 0.06 H new ATOM 230 N LYS A 17 -64.397 -29.529 75.236 1.00 0.14 N ATOM 231 CA LYS A 17 -65.343 -28.460 74.822 1.00 0.20 C ATOM 232 C LYS A 17 -64.722 -27.081 75.095 1.00 0.17 C ATOM 233 O LYS A 17 -63.686 -26.956 75.722 1.00 0.17 O ATOM 234 CB LYS A 17 -66.595 -28.628 75.624 1.00 0.33 C ATOM 235 CG LYS A 17 -67.291 -29.945 75.275 1.00 0.50 C ATOM 236 CD LYS A 17 -68.526 -30.062 76.174 1.00 1.25 C ATOM 237 CE LYS A 17 -69.269 -31.363 75.855 1.00 2.22 C ATOM 238 NZ LYS A 17 -69.745 -31.352 74.444 1.00 4.98 N ATOM 0 H LYS A 17 -64.156 -29.512 76.227 1.00 0.14 H new ATOM 0 HA LYS A 17 -65.562 -28.531 73.757 1.00 0.20 H new ATOM 0 HB2 LYS A 17 -66.356 -28.608 76.687 1.00 0.33 H new ATOM 0 HB3 LYS A 17 -67.269 -27.793 75.433 1.00 0.33 H new ATOM 0 HG2 LYS A 17 -67.579 -29.960 74.224 1.00 0.50 H new ATOM 0 HG3 LYS A 17 -66.619 -30.788 75.434 1.00 0.50 H new ATOM 0 HD2 LYS A 17 -68.228 -30.049 77.222 1.00 1.25 H new ATOM 0 HD3 LYS A 17 -69.184 -29.207 76.019 1.00 1.25 H new ATOM 0 HE2 LYS A 17 -68.610 -32.216 76.017 1.00 2.22 H new ATOM 0 HE3 LYS A 17 -70.116 -31.482 76.531 1.00 2.22 H new ATOM 0 HZ1 LYS A 17 -70.500 -32.057 74.327 1.00 4.98 H new ATOM 0 HZ2 LYS A 17 -70.113 -30.408 74.209 1.00 4.98 H new ATOM 0 HZ3 LYS A 17 -68.954 -31.583 73.809 1.00 4.98 H new ATOM 252 N ARG A 18 -65.395 -26.072 74.612 1.00 0.22 N ATOM 253 CA ARG A 18 -64.940 -24.676 74.784 1.00 0.24 C ATOM 254 C ARG A 18 -65.191 -24.195 76.212 1.00 0.25 C ATOM 255 O ARG A 18 -66.313 -23.919 76.587 1.00 0.44 O ATOM 256 CB ARG A 18 -65.702 -23.770 73.832 1.00 0.36 C ATOM 257 CG ARG A 18 -65.438 -24.185 72.384 1.00 2.18 C ATOM 258 CD ARG A 18 -66.436 -23.430 71.500 1.00 2.87 C ATOM 259 NE ARG A 18 -66.259 -21.958 71.737 1.00 5.52 N ATOM 260 CZ ARG A 18 -66.113 -21.124 70.740 1.00 8.81 C ATOM 261 NH1 ARG A 18 -66.681 -21.412 69.601 1.00 12.72 N ATOM 262 NH2 ARG A 18 -65.412 -20.038 70.915 1.00 12.48 N ATOM 0 H ARG A 18 -66.267 -26.168 74.091 1.00 0.22 H new ATOM 0 HA ARG A 18 -63.871 -24.640 74.573 1.00 0.24 H new ATOM 0 HB2 ARG A 18 -66.770 -23.823 74.044 1.00 0.36 H new ATOM 0 HB3 ARG A 18 -65.398 -22.734 73.982 1.00 0.36 H new ATOM 0 HG2 ARG A 18 -64.414 -23.946 72.097 1.00 2.18 H new ATOM 0 HG3 ARG A 18 -65.559 -25.262 72.266 1.00 2.18 H new ATOM 0 HD2 ARG A 18 -66.268 -23.668 70.450 1.00 2.87 H new ATOM 0 HD3 ARG A 18 -67.456 -23.732 71.736 1.00 2.87 H new ATOM 0 HE ARG A 18 -66.252 -21.602 72.693 1.00 5.52 H new ATOM 0 HH11 ARG A 18 -67.223 -22.271 69.504 1.00 12.72 H new ATOM 0 HH12 ARG A 18 -66.583 -20.779 68.808 1.00 12.72 H new ATOM 0 HH21 ARG A 18 -64.985 -19.847 71.821 1.00 12.48 H new ATOM 0 HH22 ARG A 18 -65.291 -19.380 70.145 1.00 12.48 H new ATOM 276 N GLY A 19 -64.144 -24.104 76.988 1.00 0.23 N ATOM 277 CA GLY A 19 -64.276 -23.642 78.408 1.00 0.27 C ATOM 278 C GLY A 19 -63.795 -24.758 79.323 1.00 0.22 C ATOM 279 O GLY A 19 -63.856 -24.652 80.532 1.00 0.31 O ATOM 0 H GLY A 19 -63.192 -24.331 76.699 1.00 0.23 H new ATOM 0 HA2 GLY A 19 -63.687 -22.739 78.569 1.00 0.27 H new ATOM 0 HA3 GLY A 19 -65.313 -23.390 78.630 1.00 0.27 H new ATOM 283 N GLN A 20 -63.320 -25.816 78.717 1.00 0.19 N ATOM 284 CA GLN A 20 -62.812 -26.984 79.506 1.00 0.18 C ATOM 285 C GLN A 20 -61.298 -27.008 79.391 1.00 0.10 C ATOM 286 O GLN A 20 -60.695 -26.269 78.639 1.00 0.11 O ATOM 287 CB GLN A 20 -63.314 -28.309 78.938 1.00 0.29 C ATOM 288 CG GLN A 20 -64.828 -28.457 79.025 1.00 0.47 C ATOM 289 CD GLN A 20 -65.273 -28.599 80.482 1.00 0.49 C ATOM 290 OE1 GLN A 20 -65.169 -27.693 81.285 1.00 2.84 O ATOM 291 NE2 GLN A 20 -65.776 -29.746 80.852 1.00 1.04 N ATOM 0 H GLN A 20 -63.261 -25.924 77.704 1.00 0.19 H new ATOM 0 HA GLN A 20 -63.159 -26.874 80.533 1.00 0.18 H new ATOM 0 HB2 GLN A 20 -63.005 -28.392 77.896 1.00 0.29 H new ATOM 0 HB3 GLN A 20 -62.842 -29.131 79.476 1.00 0.29 H new ATOM 0 HG2 GLN A 20 -65.310 -27.589 78.575 1.00 0.47 H new ATOM 0 HG3 GLN A 20 -65.147 -29.330 78.455 1.00 0.47 H new ATOM 0 HE21 GLN A 20 -65.863 -30.506 80.177 1.00 1.04 H new ATOM 0 HE22 GLN A 20 -66.082 -29.882 81.816 1.00 1.04 H new ATOM 300 N THR A 21 -60.730 -27.885 80.166 1.00 0.09 N ATOM 301 CA THR A 21 -59.254 -28.066 80.191 1.00 0.07 C ATOM 302 C THR A 21 -59.131 -29.517 79.746 1.00 0.12 C ATOM 303 O THR A 21 -60.010 -30.310 80.018 1.00 0.53 O ATOM 304 CB THR A 21 -58.756 -27.869 81.624 1.00 0.10 C ATOM 305 OG1 THR A 21 -59.099 -26.524 81.927 1.00 0.15 O ATOM 306 CG2 THR A 21 -57.228 -27.891 81.693 1.00 0.13 C ATOM 0 H THR A 21 -61.240 -28.500 80.800 1.00 0.09 H new ATOM 0 HA THR A 21 -58.678 -27.376 79.574 1.00 0.07 H new ATOM 0 HB THR A 21 -59.170 -28.639 82.274 1.00 0.10 H new ATOM 0 HG1 THR A 21 -58.814 -26.311 82.840 1.00 0.15 H new ATOM 0 HG21 THR A 21 -56.908 -27.748 82.725 1.00 0.13 H new ATOM 0 HG22 THR A 21 -56.861 -28.851 81.329 1.00 0.13 H new ATOM 0 HG23 THR A 21 -56.824 -27.090 81.074 1.00 0.13 H new ATOM 314 N CYS A 22 -58.066 -29.851 79.079 1.00 0.06 N ATOM 315 CA CYS A 22 -57.887 -31.262 78.614 1.00 0.04 C ATOM 316 C CYS A 22 -56.785 -31.769 79.516 1.00 0.04 C ATOM 317 O CYS A 22 -55.868 -31.036 79.816 1.00 0.07 O ATOM 318 CB CYS A 22 -57.419 -31.275 77.154 1.00 0.05 C ATOM 319 SG CYS A 22 -58.406 -30.366 75.940 1.00 0.16 S ATOM 0 H CYS A 22 -57.309 -29.213 78.833 1.00 0.06 H new ATOM 0 HA CYS A 22 -58.798 -31.859 78.659 1.00 0.04 H new ATOM 0 HB2 CYS A 22 -56.404 -30.878 77.125 1.00 0.05 H new ATOM 0 HB3 CYS A 22 -57.364 -32.314 76.830 1.00 0.05 H new ATOM 0 HG CYS A 22 -57.622 -29.860 75.035 1.00 0.16 H new ATOM 325 N VAL A 23 -56.896 -33.000 79.923 1.00 0.04 N ATOM 326 CA VAL A 23 -55.875 -33.629 80.815 1.00 0.04 C ATOM 327 C VAL A 23 -55.317 -34.726 79.931 1.00 0.04 C ATOM 328 O VAL A 23 -55.935 -35.763 79.773 1.00 0.06 O ATOM 329 CB VAL A 23 -56.574 -34.203 82.045 1.00 0.05 C ATOM 330 CG1 VAL A 23 -55.548 -34.919 82.905 1.00 0.06 C ATOM 331 CG2 VAL A 23 -57.180 -33.050 82.851 1.00 0.09 C ATOM 0 H VAL A 23 -57.670 -33.615 79.670 1.00 0.04 H new ATOM 0 HA VAL A 23 -55.106 -32.953 81.188 1.00 0.04 H new ATOM 0 HB VAL A 23 -57.356 -34.899 81.741 1.00 0.05 H new ATOM 0 HG11 VAL A 23 -56.037 -35.333 83.787 1.00 0.06 H new ATOM 0 HG12 VAL A 23 -55.091 -35.726 82.331 1.00 0.06 H new ATOM 0 HG13 VAL A 23 -54.777 -34.213 83.215 1.00 0.06 H new ATOM 0 HG21 VAL A 23 -57.683 -33.447 83.733 1.00 0.09 H new ATOM 0 HG22 VAL A 23 -56.389 -32.367 83.161 1.00 0.09 H new ATOM 0 HG23 VAL A 23 -57.901 -32.514 82.234 1.00 0.09 H new ATOM 341 N VAL A 24 -54.160 -34.448 79.375 1.00 0.04 N ATOM 342 CA VAL A 24 -53.462 -35.411 78.459 1.00 0.05 C ATOM 343 C VAL A 24 -52.065 -35.850 78.928 1.00 0.05 C ATOM 344 O VAL A 24 -51.374 -35.132 79.622 1.00 0.06 O ATOM 345 CB VAL A 24 -53.306 -34.743 77.079 1.00 0.06 C ATOM 346 CG1 VAL A 24 -54.605 -34.035 76.692 1.00 0.09 C ATOM 347 CG2 VAL A 24 -52.229 -33.601 77.085 1.00 0.06 C ATOM 0 H VAL A 24 -53.658 -33.572 79.521 1.00 0.04 H new ATOM 0 HA VAL A 24 -54.081 -36.308 78.437 1.00 0.05 H new ATOM 0 HB VAL A 24 -53.026 -35.544 76.395 1.00 0.06 H new ATOM 0 HG11 VAL A 24 -54.486 -33.565 75.715 1.00 0.09 H new ATOM 0 HG12 VAL A 24 -55.417 -34.761 76.649 1.00 0.09 H new ATOM 0 HG13 VAL A 24 -54.839 -33.273 77.435 1.00 0.09 H new ATOM 0 HG21 VAL A 24 -52.158 -33.163 76.089 1.00 0.06 H new ATOM 0 HG22 VAL A 24 -52.519 -32.831 77.800 1.00 0.06 H new ATOM 0 HG23 VAL A 24 -51.262 -34.015 77.369 1.00 0.06 H new ATOM 357 N HIS A 25 -51.708 -37.039 78.512 1.00 0.06 N ATOM 358 CA HIS A 25 -50.369 -37.638 78.850 1.00 0.08 C ATOM 359 C HIS A 25 -49.825 -38.087 77.506 1.00 0.07 C ATOM 360 O HIS A 25 -50.414 -38.922 76.848 1.00 0.20 O ATOM 361 CB HIS A 25 -50.494 -38.868 79.779 1.00 0.13 C ATOM 362 CG HIS A 25 -49.175 -39.652 79.820 1.00 0.29 C ATOM 363 ND1 HIS A 25 -48.120 -39.372 79.131 1.00 1.81 N ATOM 364 CD2 HIS A 25 -48.818 -40.774 80.551 1.00 1.40 C ATOM 365 CE1 HIS A 25 -47.185 -40.229 79.396 1.00 1.79 C ATOM 366 NE2 HIS A 25 -47.576 -41.120 80.275 1.00 1.35 N ATOM 0 H HIS A 25 -52.300 -37.638 77.937 1.00 0.06 H new ATOM 0 HA HIS A 25 -49.737 -36.922 79.376 1.00 0.08 H new ATOM 0 HB2 HIS A 25 -50.762 -38.545 80.785 1.00 0.13 H new ATOM 0 HB3 HIS A 25 -51.297 -39.516 79.427 1.00 0.13 H new ATOM 0 HD2 HIS A 25 -49.464 -41.290 81.246 1.00 1.40 H new ATOM 0 HE1 HIS A 25 -46.203 -40.212 78.947 1.00 1.79 H new ATOM 0 HE2 HIS A 25 -47.042 -41.901 80.657 1.00 1.35 H new ATOM 374 N TYR A 26 -48.711 -37.528 77.110 1.00 0.04 N ATOM 375 CA TYR A 26 -48.100 -37.906 75.793 1.00 0.04 C ATOM 376 C TYR A 26 -46.600 -38.152 75.838 1.00 0.05 C ATOM 377 O TYR A 26 -45.921 -37.933 76.820 1.00 0.06 O ATOM 378 CB TYR A 26 -48.370 -36.800 74.829 1.00 0.05 C ATOM 379 CG TYR A 26 -47.695 -35.536 75.354 1.00 0.08 C ATOM 380 CD1 TYR A 26 -48.352 -34.778 76.291 1.00 1.61 C ATOM 381 CD2 TYR A 26 -46.446 -35.136 74.916 1.00 1.40 C ATOM 382 CE1 TYR A 26 -47.780 -33.635 76.789 1.00 1.67 C ATOM 383 CE2 TYR A 26 -45.869 -33.985 75.417 1.00 1.48 C ATOM 384 CZ TYR A 26 -46.534 -33.225 76.358 1.00 0.22 C ATOM 385 OH TYR A 26 -45.963 -32.074 76.859 1.00 0.33 O ATOM 0 H TYR A 26 -48.195 -36.825 77.639 1.00 0.04 H new ATOM 0 HA TYR A 26 -48.553 -38.852 75.496 1.00 0.04 H new ATOM 0 HB2 TYR A 26 -47.986 -37.054 73.841 1.00 0.05 H new ATOM 0 HB3 TYR A 26 -49.443 -36.642 74.722 1.00 0.05 H new ATOM 0 HD1 TYR A 26 -49.327 -35.084 76.639 1.00 1.61 H new ATOM 0 HD2 TYR A 26 -45.920 -35.725 74.180 1.00 1.40 H new ATOM 0 HE1 TYR A 26 -48.310 -33.050 77.526 1.00 1.67 H new ATOM 0 HE2 TYR A 26 -44.893 -33.678 75.071 1.00 1.48 H new ATOM 0 HH TYR A 26 -45.085 -31.938 76.446 1.00 0.33 H new ATOM 395 N THR A 27 -46.137 -38.616 74.714 1.00 0.06 N ATOM 396 CA THR A 27 -44.695 -38.920 74.522 1.00 0.08 C ATOM 397 C THR A 27 -44.385 -38.265 73.180 1.00 0.09 C ATOM 398 O THR A 27 -44.954 -38.639 72.172 1.00 0.10 O ATOM 399 CB THR A 27 -44.497 -40.419 74.450 1.00 0.12 C ATOM 400 OG1 THR A 27 -45.009 -40.899 75.685 1.00 0.15 O ATOM 401 CG2 THR A 27 -43.008 -40.766 74.497 1.00 0.13 C ATOM 0 H THR A 27 -46.717 -38.803 73.896 1.00 0.06 H new ATOM 0 HA THR A 27 -44.054 -38.561 75.327 1.00 0.08 H new ATOM 0 HB THR A 27 -44.956 -40.824 73.548 1.00 0.12 H new ATOM 0 HG1 THR A 27 -44.919 -41.874 75.719 1.00 0.15 H new ATOM 0 HG21 THR A 27 -42.885 -41.848 74.444 1.00 0.13 H new ATOM 0 HG22 THR A 27 -42.499 -40.301 73.653 1.00 0.13 H new ATOM 0 HG23 THR A 27 -42.578 -40.397 75.428 1.00 0.13 H new ATOM 409 N GLY A 28 -43.502 -37.302 73.180 1.00 0.15 N ATOM 410 CA GLY A 28 -43.149 -36.613 71.898 1.00 0.19 C ATOM 411 C GLY A 28 -41.840 -37.190 71.383 1.00 0.22 C ATOM 412 O GLY A 28 -40.886 -37.363 72.115 1.00 0.37 O ATOM 0 H GLY A 28 -43.010 -36.962 74.006 1.00 0.15 H new ATOM 0 HA2 GLY A 28 -43.940 -36.754 71.162 1.00 0.19 H new ATOM 0 HA3 GLY A 28 -43.052 -35.539 72.060 1.00 0.19 H new ATOM 416 N MET A 29 -41.845 -37.474 70.109 1.00 0.23 N ATOM 417 CA MET A 29 -40.652 -38.050 69.433 1.00 0.25 C ATOM 418 C MET A 29 -40.494 -37.312 68.115 1.00 0.18 C ATOM 419 O MET A 29 -41.336 -36.525 67.730 1.00 0.34 O ATOM 420 CB MET A 29 -40.919 -39.551 69.236 1.00 0.36 C ATOM 421 CG MET A 29 -39.662 -40.267 68.735 1.00 1.23 C ATOM 422 SD MET A 29 -39.709 -42.076 68.724 1.00 3.22 S ATOM 423 CE MET A 29 -39.188 -42.307 70.443 1.00 3.79 C ATOM 0 H MET A 29 -42.647 -37.326 69.496 1.00 0.23 H new ATOM 0 HA MET A 29 -39.731 -37.941 70.005 1.00 0.25 H new ATOM 0 HB2 MET A 29 -41.244 -39.994 70.178 1.00 0.36 H new ATOM 0 HB3 MET A 29 -41.731 -39.690 68.522 1.00 0.36 H new ATOM 0 HG2 MET A 29 -39.457 -39.926 67.720 1.00 1.23 H new ATOM 0 HG3 MET A 29 -38.821 -39.952 69.353 1.00 1.23 H new ATOM 0 HE1 MET A 29 -39.144 -43.372 70.670 1.00 3.79 H new ATOM 0 HE2 MET A 29 -38.202 -41.864 70.587 1.00 3.79 H new ATOM 0 HE3 MET A 29 -39.903 -41.824 71.108 1.00 3.79 H new ATOM 433 N LEU A 30 -39.410 -37.580 67.445 1.00 0.44 N ATOM 434 CA LEU A 30 -39.136 -36.923 66.135 1.00 0.44 C ATOM 435 C LEU A 30 -39.065 -38.064 65.138 1.00 0.58 C ATOM 436 O LEU A 30 -38.890 -39.199 65.533 1.00 1.27 O ATOM 437 CB LEU A 30 -37.802 -36.194 66.216 1.00 0.46 C ATOM 438 CG LEU A 30 -37.759 -35.318 67.496 1.00 0.45 C ATOM 439 CD1 LEU A 30 -36.384 -34.660 67.586 1.00 0.72 C ATOM 440 CD2 LEU A 30 -38.808 -34.204 67.453 1.00 0.79 C ATOM 0 H LEU A 30 -38.691 -38.235 67.752 1.00 0.44 H new ATOM 0 HA LEU A 30 -39.893 -36.191 65.854 1.00 0.44 H new ATOM 0 HB2 LEU A 30 -36.984 -36.914 66.229 1.00 0.46 H new ATOM 0 HB3 LEU A 30 -37.664 -35.571 65.333 1.00 0.46 H new ATOM 0 HG LEU A 30 -37.961 -35.960 68.354 1.00 0.45 H new ATOM 0 HD11 LEU A 30 -36.335 -34.040 68.481 1.00 0.72 H new ATOM 0 HD12 LEU A 30 -35.615 -35.430 67.636 1.00 0.72 H new ATOM 0 HD13 LEU A 30 -36.219 -34.040 66.705 1.00 0.72 H new ATOM 0 HD21 LEU A 30 -38.747 -33.612 68.366 1.00 0.79 H new ATOM 0 HD22 LEU A 30 -38.622 -33.563 66.591 1.00 0.79 H new ATOM 0 HD23 LEU A 30 -39.802 -34.643 67.371 1.00 0.79 H new ATOM 452 N GLU A 31 -39.207 -37.721 63.888 1.00 0.57 N ATOM 453 CA GLU A 31 -39.157 -38.742 62.808 1.00 0.96 C ATOM 454 C GLU A 31 -38.326 -39.972 63.115 1.00 1.01 C ATOM 455 O GLU A 31 -38.807 -41.086 63.054 1.00 2.22 O ATOM 456 CB GLU A 31 -38.633 -38.078 61.532 1.00 2.03 C ATOM 457 CG GLU A 31 -39.621 -36.977 61.137 1.00 2.67 C ATOM 458 CD GLU A 31 -39.172 -36.349 59.817 1.00 4.62 C ATOM 459 OE1 GLU A 31 -39.107 -37.100 58.858 1.00 6.80 O ATOM 460 OE2 GLU A 31 -38.920 -35.155 59.846 1.00 7.77 O ATOM 0 H GLU A 31 -39.357 -36.765 63.566 1.00 0.57 H new ATOM 0 HA GLU A 31 -40.177 -39.110 62.695 1.00 0.96 H new ATOM 0 HB2 GLU A 31 -37.641 -37.659 61.699 1.00 2.03 H new ATOM 0 HB3 GLU A 31 -38.538 -38.811 60.731 1.00 2.03 H new ATOM 0 HG2 GLU A 31 -40.624 -37.392 61.034 1.00 2.67 H new ATOM 0 HG3 GLU A 31 -39.669 -36.217 61.917 1.00 2.67 H new ATOM 467 N ASP A 32 -37.087 -39.749 63.442 1.00 0.92 N ATOM 468 CA ASP A 32 -36.213 -40.916 63.755 1.00 1.90 C ATOM 469 C ASP A 32 -35.016 -40.480 64.578 1.00 1.54 C ATOM 470 O ASP A 32 -33.914 -40.909 64.301 1.00 2.53 O ATOM 471 CB ASP A 32 -35.735 -41.544 62.449 1.00 4.59 C ATOM 472 CG ASP A 32 -34.950 -40.495 61.658 1.00 5.87 C ATOM 473 OD1 ASP A 32 -35.559 -39.483 61.351 1.00 8.38 O ATOM 474 OD2 ASP A 32 -33.787 -40.769 61.407 1.00 7.73 O ATOM 0 H ASP A 32 -36.646 -38.832 63.506 1.00 0.92 H new ATOM 0 HA ASP A 32 -36.783 -41.643 64.333 1.00 1.90 H new ATOM 0 HB2 ASP A 32 -35.107 -42.411 62.654 1.00 4.59 H new ATOM 0 HB3 ASP A 32 -36.586 -41.898 61.866 1.00 4.59 H new ATOM 479 N GLY A 33 -35.224 -39.646 65.569 1.00 1.29 N ATOM 480 CA GLY A 33 -34.062 -39.197 66.402 1.00 2.84 C ATOM 481 C GLY A 33 -34.255 -39.591 67.859 1.00 1.81 C ATOM 482 O GLY A 33 -33.781 -40.611 68.316 1.00 2.06 O ATOM 0 H GLY A 33 -36.131 -39.262 65.834 1.00 1.29 H new ATOM 0 HA2 GLY A 33 -33.142 -39.640 66.020 1.00 2.84 H new ATOM 0 HA3 GLY A 33 -33.950 -38.115 66.325 1.00 2.84 H new ATOM 486 N LYS A 34 -34.962 -38.746 68.550 1.00 1.19 N ATOM 487 CA LYS A 34 -35.228 -38.998 69.997 1.00 1.10 C ATOM 488 C LYS A 34 -36.415 -38.198 70.543 1.00 0.94 C ATOM 489 O LYS A 34 -37.199 -37.635 69.805 1.00 1.45 O ATOM 490 CB LYS A 34 -33.955 -38.660 70.799 1.00 1.57 C ATOM 491 CG LYS A 34 -33.514 -37.186 70.655 1.00 2.85 C ATOM 492 CD LYS A 34 -33.017 -36.881 69.223 1.00 4.49 C ATOM 493 CE LYS A 34 -32.112 -35.642 69.244 1.00 9.11 C ATOM 494 NZ LYS A 34 -30.893 -35.923 70.053 1.00 11.87 N ATOM 0 H LYS A 34 -35.370 -37.888 68.178 1.00 1.19 H new ATOM 0 HA LYS A 34 -35.493 -40.050 70.104 1.00 1.10 H new ATOM 0 HB2 LYS A 34 -34.129 -38.878 71.853 1.00 1.57 H new ATOM 0 HB3 LYS A 34 -33.143 -39.309 70.469 1.00 1.57 H new ATOM 0 HG2 LYS A 34 -34.349 -36.530 70.899 1.00 2.85 H new ATOM 0 HG3 LYS A 34 -32.720 -36.971 71.370 1.00 2.85 H new ATOM 0 HD2 LYS A 34 -32.470 -37.737 68.827 1.00 4.49 H new ATOM 0 HD3 LYS A 34 -33.866 -36.712 68.561 1.00 4.49 H new ATOM 0 HE2 LYS A 34 -31.830 -35.369 68.227 1.00 9.11 H new ATOM 0 HE3 LYS A 34 -32.651 -34.793 69.664 1.00 9.11 H new ATOM 0 HZ1 LYS A 34 -30.046 -35.668 69.505 1.00 11.87 H new ATOM 0 HZ2 LYS A 34 -30.921 -35.363 70.929 1.00 11.87 H new ATOM 0 HZ3 LYS A 34 -30.859 -36.935 70.290 1.00 11.87 H new ATOM 508 N LYS A 35 -36.506 -38.176 71.848 1.00 0.76 N ATOM 509 CA LYS A 35 -37.611 -37.426 72.518 1.00 0.57 C ATOM 510 C LYS A 35 -37.108 -36.009 72.774 1.00 0.51 C ATOM 511 O LYS A 35 -35.988 -35.780 73.187 1.00 0.75 O ATOM 512 CB LYS A 35 -37.977 -38.152 73.835 1.00 0.62 C ATOM 513 CG LYS A 35 -36.738 -38.449 74.689 1.00 1.93 C ATOM 514 CD LYS A 35 -37.199 -39.254 75.912 1.00 2.72 C ATOM 515 CE LYS A 35 -35.976 -39.699 76.718 1.00 5.43 C ATOM 516 NZ LYS A 35 -35.222 -38.509 77.201 1.00 9.51 N ATOM 0 H LYS A 35 -35.860 -38.647 72.481 1.00 0.76 H new ATOM 0 HA LYS A 35 -38.510 -37.381 71.903 1.00 0.57 H new ATOM 0 HB2 LYS A 35 -38.673 -37.538 74.407 1.00 0.62 H new ATOM 0 HB3 LYS A 35 -38.491 -39.085 73.604 1.00 0.62 H new ATOM 0 HG2 LYS A 35 -36.003 -39.013 74.114 1.00 1.93 H new ATOM 0 HG3 LYS A 35 -36.256 -37.522 75.000 1.00 1.93 H new ATOM 0 HD2 LYS A 35 -37.857 -38.647 76.534 1.00 2.72 H new ATOM 0 HD3 LYS A 35 -37.774 -40.123 75.593 1.00 2.72 H new ATOM 0 HE2 LYS A 35 -36.291 -40.308 77.565 1.00 5.43 H new ATOM 0 HE3 LYS A 35 -35.330 -40.322 76.100 1.00 5.43 H new ATOM 0 HZ1 LYS A 35 -34.555 -38.799 77.944 1.00 9.51 H new ATOM 0 HZ2 LYS A 35 -34.696 -38.087 76.409 1.00 9.51 H new ATOM 0 HZ3 LYS A 35 -35.888 -37.809 77.587 1.00 9.51 H new ATOM 530 N PHE A 36 -37.997 -35.095 72.502 1.00 0.34 N ATOM 531 CA PHE A 36 -37.744 -33.635 72.661 1.00 0.32 C ATOM 532 C PHE A 36 -38.784 -33.092 73.640 1.00 0.28 C ATOM 533 O PHE A 36 -38.501 -32.230 74.448 1.00 0.43 O ATOM 534 CB PHE A 36 -37.865 -32.960 71.259 1.00 0.29 C ATOM 535 CG PHE A 36 -39.325 -32.887 70.758 1.00 0.18 C ATOM 536 CD1 PHE A 36 -40.069 -34.034 70.518 1.00 1.84 C ATOM 537 CD2 PHE A 36 -39.935 -31.661 70.548 1.00 1.27 C ATOM 538 CE1 PHE A 36 -41.382 -33.948 70.090 1.00 1.65 C ATOM 539 CE2 PHE A 36 -41.230 -31.586 70.123 1.00 1.42 C ATOM 540 CZ PHE A 36 -41.959 -32.718 69.898 1.00 0.16 C ATOM 0 H PHE A 36 -38.933 -35.313 72.160 1.00 0.34 H new ATOM 0 HA PHE A 36 -36.748 -33.429 73.052 1.00 0.32 H new ATOM 0 HB2 PHE A 36 -37.451 -31.953 71.308 1.00 0.29 H new ATOM 0 HB3 PHE A 36 -37.265 -33.517 70.539 1.00 0.29 H new ATOM 0 HD1 PHE A 36 -39.618 -35.004 70.667 1.00 1.84 H new ATOM 0 HD2 PHE A 36 -39.378 -30.752 70.723 1.00 1.27 H new ATOM 0 HE1 PHE A 36 -41.952 -34.847 69.907 1.00 1.65 H new ATOM 0 HE2 PHE A 36 -41.684 -30.619 69.963 1.00 1.42 H new ATOM 0 HZ PHE A 36 -42.986 -32.646 69.570 1.00 0.16 H new ATOM 550 N ASP A 37 -39.978 -33.623 73.535 1.00 0.27 N ATOM 551 CA ASP A 37 -41.104 -33.183 74.435 1.00 0.30 C ATOM 552 C ASP A 37 -41.961 -34.349 74.931 1.00 0.27 C ATOM 553 O ASP A 37 -42.919 -34.727 74.287 1.00 0.58 O ATOM 554 CB ASP A 37 -42.012 -32.191 73.689 1.00 0.35 C ATOM 555 CG ASP A 37 -41.285 -30.848 73.563 1.00 0.94 C ATOM 556 OD1 ASP A 37 -40.857 -30.376 74.603 1.00 2.66 O ATOM 557 OD2 ASP A 37 -41.201 -30.370 72.445 1.00 2.02 O ATOM 0 H ASP A 37 -40.228 -34.347 72.862 1.00 0.27 H new ATOM 0 HA ASP A 37 -40.642 -32.714 75.304 1.00 0.30 H new ATOM 0 HB2 ASP A 37 -42.261 -32.578 72.701 1.00 0.35 H new ATOM 0 HB3 ASP A 37 -42.951 -32.062 74.227 1.00 0.35 H new ATOM 562 N SER A 38 -41.617 -34.906 76.065 1.00 0.24 N ATOM 563 CA SER A 38 -42.411 -36.057 76.620 1.00 0.29 C ATOM 564 C SER A 38 -43.186 -35.589 77.851 1.00 0.44 C ATOM 565 O SER A 38 -42.933 -34.521 78.372 1.00 1.00 O ATOM 566 CB SER A 38 -41.455 -37.178 77.014 1.00 0.46 C ATOM 567 OG SER A 38 -40.802 -37.497 75.795 1.00 0.45 O ATOM 0 H SER A 38 -40.821 -34.617 76.634 1.00 0.24 H new ATOM 0 HA SER A 38 -43.111 -36.421 75.868 1.00 0.29 H new ATOM 0 HB2 SER A 38 -40.747 -36.853 77.776 1.00 0.46 H new ATOM 0 HB3 SER A 38 -41.989 -38.037 77.421 1.00 0.46 H new ATOM 0 HG SER A 38 -40.156 -38.218 75.949 1.00 0.45 H new ATOM 573 N SER A 39 -44.117 -36.395 78.297 1.00 0.35 N ATOM 574 CA SER A 39 -44.940 -36.036 79.501 1.00 0.53 C ATOM 575 C SER A 39 -44.713 -37.095 80.576 1.00 0.94 C ATOM 576 O SER A 39 -45.626 -37.784 80.988 1.00 2.02 O ATOM 577 CB SER A 39 -46.424 -36.008 79.140 1.00 0.58 C ATOM 578 OG SER A 39 -46.757 -37.374 78.953 1.00 0.86 O ATOM 0 H SER A 39 -44.347 -37.296 77.877 1.00 0.35 H new ATOM 0 HA SER A 39 -44.644 -35.050 79.860 1.00 0.53 H new ATOM 0 HB2 SER A 39 -47.020 -35.557 79.934 1.00 0.58 H new ATOM 0 HB3 SER A 39 -46.604 -35.426 78.236 1.00 0.58 H new ATOM 0 HG SER A 39 -47.507 -37.611 79.537 1.00 0.86 H new ATOM 584 N ARG A 40 -43.486 -37.198 81.006 1.00 2.02 N ATOM 585 CA ARG A 40 -43.117 -38.187 82.059 1.00 3.55 C ATOM 586 C ARG A 40 -42.902 -37.393 83.308 1.00 3.76 C ATOM 587 O ARG A 40 -41.869 -37.353 83.946 1.00 5.94 O ATOM 588 CB ARG A 40 -41.859 -38.957 81.551 1.00 7.95 C ATOM 589 CG ARG A 40 -40.710 -37.999 81.058 1.00 12.80 C ATOM 590 CD ARG A 40 -39.512 -38.025 82.021 1.00 20.56 C ATOM 591 NE ARG A 40 -39.131 -39.462 82.221 1.00 25.72 N ATOM 592 CZ ARG A 40 -39.190 -40.041 83.395 1.00 33.41 C ATOM 593 NH1 ARG A 40 -39.877 -39.489 84.360 1.00 38.56 N ATOM 594 NH2 ARG A 40 -38.554 -41.168 83.568 1.00 40.28 N ATOM 0 H ARG A 40 -42.710 -36.629 80.667 1.00 2.02 H new ATOM 0 HA ARG A 40 -43.874 -38.942 82.271 1.00 3.55 H new ATOM 0 HB2 ARG A 40 -41.478 -39.590 82.353 1.00 7.95 H new ATOM 0 HB3 ARG A 40 -42.149 -39.618 80.734 1.00 7.95 H new ATOM 0 HG2 ARG A 40 -40.385 -38.299 80.062 1.00 12.80 H new ATOM 0 HG3 ARG A 40 -41.092 -36.981 80.976 1.00 12.80 H new ATOM 0 HD2 ARG A 40 -38.676 -37.460 81.609 1.00 20.56 H new ATOM 0 HD3 ARG A 40 -39.773 -37.561 82.972 1.00 20.56 H new ATOM 0 HE ARG A 40 -38.816 -40.006 81.418 1.00 25.72 H new ATOM 0 HH11 ARG A 40 -40.366 -38.609 84.199 1.00 38.56 H new ATOM 0 HH12 ARG A 40 -39.924 -39.939 85.274 1.00 38.56 H new ATOM 0 HH21 ARG A 40 -38.026 -41.579 82.798 1.00 40.28 H new ATOM 0 HH22 ARG A 40 -38.585 -41.637 84.473 1.00 40.28 H new ATOM 608 N ASP A 41 -44.022 -36.770 83.564 1.00 5.25 N ATOM 609 CA ASP A 41 -44.209 -35.884 84.730 1.00 9.92 C ATOM 610 C ASP A 41 -44.756 -36.720 85.899 1.00 10.58 C ATOM 611 O ASP A 41 -45.835 -37.278 85.865 1.00 14.90 O ATOM 612 CB ASP A 41 -45.208 -34.783 84.408 1.00 16.46 C ATOM 613 CG ASP A 41 -44.693 -33.929 83.248 1.00 24.03 C ATOM 614 OD1 ASP A 41 -44.541 -34.510 82.187 1.00 28.61 O ATOM 615 OD2 ASP A 41 -44.483 -32.750 83.491 1.00 29.20 O ATOM 0 H ASP A 41 -44.851 -36.851 82.975 1.00 5.25 H new ATOM 0 HA ASP A 41 -43.253 -35.431 84.991 1.00 9.92 H new ATOM 0 HB2 ASP A 41 -46.172 -35.220 84.148 1.00 16.46 H new ATOM 0 HB3 ASP A 41 -45.368 -34.158 85.287 1.00 16.46 H new ATOM 620 N ARG A 42 -43.925 -36.728 86.887 1.00 10.33 N ATOM 621 CA ARG A 42 -44.098 -37.420 88.190 1.00 14.57 C ATOM 622 C ARG A 42 -45.528 -37.828 88.506 1.00 11.57 C ATOM 623 O ARG A 42 -45.896 -38.979 88.388 1.00 13.65 O ATOM 624 CB ARG A 42 -43.599 -36.460 89.281 1.00 21.05 C ATOM 625 CG ARG A 42 -42.074 -36.259 89.320 1.00 28.84 C ATOM 626 CD ARG A 42 -41.476 -35.722 87.977 1.00 39.73 C ATOM 627 NE ARG A 42 -41.196 -36.785 86.954 1.00 49.73 N ATOM 628 CZ ARG A 42 -41.093 -38.055 87.251 1.00 60.41 C ATOM 629 NH1 ARG A 42 -40.248 -38.432 88.173 1.00 67.20 N ATOM 630 NH2 ARG A 42 -41.837 -38.915 86.610 1.00 68.65 N ATOM 0 H ARG A 42 -43.037 -36.228 86.836 1.00 10.33 H new ATOM 0 HA ARG A 42 -43.533 -38.351 88.144 1.00 14.57 H new ATOM 0 HB2 ARG A 42 -44.075 -35.490 89.136 1.00 21.05 H new ATOM 0 HB3 ARG A 42 -43.926 -36.834 90.251 1.00 21.05 H new ATOM 0 HG2 ARG A 42 -41.829 -35.562 90.121 1.00 28.84 H new ATOM 0 HG3 ARG A 42 -41.597 -37.208 89.566 1.00 28.84 H new ATOM 0 HD2 ARG A 42 -42.168 -34.997 87.549 1.00 39.73 H new ATOM 0 HD3 ARG A 42 -40.550 -35.190 88.193 1.00 39.73 H new ATOM 0 HE ARG A 42 -41.081 -36.503 85.980 1.00 49.73 H new ATOM 0 HH11 ARG A 42 -39.676 -37.739 88.654 1.00 67.20 H new ATOM 0 HH12 ARG A 42 -40.161 -39.420 88.411 1.00 67.20 H new ATOM 0 HH21 ARG A 42 -42.485 -38.593 85.891 1.00 68.65 H new ATOM 0 HH22 ARG A 42 -41.770 -39.909 86.828 1.00 68.65 H new ATOM 644 N ASN A 43 -46.306 -36.862 88.900 1.00 9.93 N ATOM 645 CA ASN A 43 -47.747 -37.116 89.265 1.00 9.37 C ATOM 646 C ASN A 43 -48.802 -36.539 88.322 1.00 6.11 C ATOM 647 O ASN A 43 -49.825 -37.149 88.085 1.00 8.88 O ATOM 648 CB ASN A 43 -47.985 -36.558 90.666 1.00 12.67 C ATOM 649 CG ASN A 43 -46.971 -37.192 91.622 1.00 16.35 C ATOM 650 OD1 ASN A 43 -46.967 -38.387 91.842 1.00 20.71 O ATOM 651 ND2 ASN A 43 -46.095 -36.424 92.209 1.00 19.57 N ATOM 0 H ASN A 43 -46.011 -35.890 88.989 1.00 9.93 H new ATOM 0 HA ASN A 43 -47.876 -38.196 89.196 1.00 9.37 H new ATOM 0 HB2 ASN A 43 -47.877 -35.473 90.665 1.00 12.67 H new ATOM 0 HB3 ASN A 43 -49.002 -36.777 90.993 1.00 12.67 H new ATOM 0 HD21 ASN A 43 -45.411 -36.827 92.849 1.00 19.57 H new ATOM 0 HD22 ASN A 43 -46.094 -35.420 92.028 1.00 19.57 H new ATOM 658 N LYS A 44 -48.538 -35.373 87.800 1.00 3.36 N ATOM 659 CA LYS A 44 -49.506 -34.703 86.870 1.00 1.82 C ATOM 660 C LYS A 44 -49.000 -34.710 85.413 1.00 1.30 C ATOM 661 O LYS A 44 -48.011 -34.062 85.132 1.00 1.81 O ATOM 662 CB LYS A 44 -49.689 -33.268 87.346 1.00 1.74 C ATOM 663 CG LYS A 44 -50.091 -33.304 88.826 1.00 3.63 C ATOM 664 CD LYS A 44 -50.342 -31.877 89.310 1.00 5.27 C ATOM 665 CE LYS A 44 -50.636 -31.935 90.811 1.00 9.16 C ATOM 666 NZ LYS A 44 -51.806 -32.822 91.066 1.00 14.87 N ATOM 0 H LYS A 44 -47.683 -34.845 87.977 1.00 3.36 H new ATOM 0 HA LYS A 44 -50.451 -35.247 86.884 1.00 1.82 H new ATOM 0 HB2 LYS A 44 -48.766 -32.703 87.216 1.00 1.74 H new ATOM 0 HB3 LYS A 44 -50.455 -32.766 86.756 1.00 1.74 H new ATOM 0 HG2 LYS A 44 -50.988 -33.909 88.957 1.00 3.63 H new ATOM 0 HG3 LYS A 44 -49.303 -33.769 89.419 1.00 3.63 H new ATOM 0 HD2 LYS A 44 -49.472 -31.249 89.115 1.00 5.27 H new ATOM 0 HD3 LYS A 44 -51.181 -31.434 88.774 1.00 5.27 H new ATOM 0 HE2 LYS A 44 -49.763 -32.307 91.347 1.00 9.16 H new ATOM 0 HE3 LYS A 44 -50.839 -30.933 91.189 1.00 9.16 H new ATOM 0 HZ1 LYS A 44 -52.210 -32.604 91.999 1.00 14.87 H new ATOM 0 HZ2 LYS A 44 -52.526 -32.667 90.332 1.00 14.87 H new ATOM 0 HZ3 LYS A 44 -51.499 -33.816 91.045 1.00 14.87 H new ATOM 680 N PRO A 45 -49.652 -35.422 84.520 1.00 0.73 N ATOM 681 CA PRO A 45 -49.505 -35.181 83.067 1.00 0.42 C ATOM 682 C PRO A 45 -49.548 -33.699 82.738 1.00 0.33 C ATOM 683 O PRO A 45 -49.278 -32.841 83.556 1.00 0.51 O ATOM 684 CB PRO A 45 -50.636 -35.985 82.435 1.00 0.31 C ATOM 685 CG PRO A 45 -50.707 -37.203 83.389 1.00 0.88 C ATOM 686 CD PRO A 45 -50.597 -36.545 84.782 1.00 0.77 C ATOM 0 HA PRO A 45 -48.538 -35.499 82.677 1.00 0.42 H new ATOM 0 HB2 PRO A 45 -51.572 -35.428 82.408 1.00 0.31 H new ATOM 0 HB3 PRO A 45 -50.410 -36.278 81.410 1.00 0.31 H new ATOM 0 HG2 PRO A 45 -51.640 -37.755 83.274 1.00 0.88 H new ATOM 0 HG3 PRO A 45 -49.895 -37.908 83.208 1.00 0.88 H new ATOM 0 HD2 PRO A 45 -51.562 -36.190 85.143 1.00 0.77 H new ATOM 0 HD3 PRO A 45 -50.211 -37.237 85.531 1.00 0.77 H new ATOM 694 N PHE A 46 -49.902 -33.451 81.513 1.00 0.18 N ATOM 695 CA PHE A 46 -49.998 -32.052 81.005 1.00 0.15 C ATOM 696 C PHE A 46 -51.463 -31.611 80.941 1.00 0.10 C ATOM 697 O PHE A 46 -52.332 -32.401 80.632 1.00 0.12 O ATOM 698 CB PHE A 46 -49.387 -32.067 79.671 1.00 0.14 C ATOM 699 CG PHE A 46 -49.307 -30.677 79.076 1.00 0.16 C ATOM 700 CD1 PHE A 46 -48.417 -29.786 79.618 1.00 0.45 C ATOM 701 CD2 PHE A 46 -50.104 -30.302 78.021 1.00 0.28 C ATOM 702 CE1 PHE A 46 -48.313 -28.508 79.114 1.00 0.51 C ATOM 703 CE2 PHE A 46 -50.007 -29.025 77.511 1.00 0.35 C ATOM 704 CZ PHE A 46 -49.113 -28.127 78.057 1.00 0.28 C ATOM 0 H PHE A 46 -50.134 -34.169 80.827 1.00 0.18 H new ATOM 0 HA PHE A 46 -49.488 -31.345 81.659 1.00 0.15 H new ATOM 0 HB2 PHE A 46 -48.386 -32.494 79.734 1.00 0.14 H new ATOM 0 HB3 PHE A 46 -49.968 -32.712 79.012 1.00 0.14 H new ATOM 0 HD1 PHE A 46 -47.793 -30.088 80.446 1.00 0.45 H new ATOM 0 HD2 PHE A 46 -50.803 -31.005 77.593 1.00 0.28 H new ATOM 0 HE1 PHE A 46 -47.610 -27.810 79.543 1.00 0.51 H new ATOM 0 HE2 PHE A 46 -50.632 -28.727 76.682 1.00 0.35 H new ATOM 0 HZ PHE A 46 -49.040 -27.126 77.657 1.00 0.28 H new ATOM 714 N LYS A 47 -51.721 -30.358 81.233 1.00 0.08 N ATOM 715 CA LYS A 47 -53.131 -29.828 81.200 1.00 0.08 C ATOM 716 C LYS A 47 -53.245 -28.493 80.450 1.00 0.08 C ATOM 717 O LYS A 47 -52.559 -27.552 80.797 1.00 0.13 O ATOM 718 CB LYS A 47 -53.631 -29.599 82.617 1.00 0.13 C ATOM 719 CG LYS A 47 -53.574 -30.892 83.418 1.00 0.14 C ATOM 720 CD LYS A 47 -54.170 -30.588 84.793 1.00 0.65 C ATOM 721 CE LYS A 47 -54.061 -31.833 85.669 1.00 1.33 C ATOM 722 NZ LYS A 47 -52.627 -32.189 85.856 1.00 3.76 N ATOM 0 H LYS A 47 -51.013 -29.672 81.495 1.00 0.08 H new ATOM 0 HA LYS A 47 -53.728 -30.576 80.678 1.00 0.08 H new ATOM 0 HB2 LYS A 47 -53.024 -28.836 83.104 1.00 0.13 H new ATOM 0 HB3 LYS A 47 -54.654 -29.225 82.592 1.00 0.13 H new ATOM 0 HG2 LYS A 47 -54.137 -31.681 82.919 1.00 0.14 H new ATOM 0 HG3 LYS A 47 -52.547 -31.244 83.511 1.00 0.14 H new ATOM 0 HD2 LYS A 47 -53.642 -29.755 85.256 1.00 0.65 H new ATOM 0 HD3 LYS A 47 -55.213 -30.288 84.693 1.00 0.65 H new ATOM 0 HE2 LYS A 47 -54.530 -31.652 86.636 1.00 1.33 H new ATOM 0 HE3 LYS A 47 -54.595 -32.663 85.206 1.00 1.33 H new ATOM 0 HZ1 LYS A 47 -52.522 -32.770 86.712 1.00 3.76 H new ATOM 0 HZ2 LYS A 47 -52.292 -32.726 85.031 1.00 3.76 H new ATOM 0 HZ3 LYS A 47 -52.064 -31.320 85.956 1.00 3.76 H new ATOM 736 N PHE A 48 -54.087 -28.399 79.445 1.00 0.05 N ATOM 737 CA PHE A 48 -54.214 -27.088 78.707 1.00 0.06 C ATOM 738 C PHE A 48 -55.677 -26.763 78.390 1.00 0.06 C ATOM 739 O PHE A 48 -56.557 -27.573 78.602 1.00 0.06 O ATOM 740 CB PHE A 48 -53.394 -27.140 77.394 1.00 0.06 C ATOM 741 CG PHE A 48 -53.975 -28.076 76.319 1.00 0.05 C ATOM 742 CD1 PHE A 48 -53.795 -29.448 76.367 1.00 1.57 C ATOM 743 CD2 PHE A 48 -54.688 -27.531 75.263 1.00 1.11 C ATOM 744 CE1 PHE A 48 -54.319 -30.249 75.371 1.00 1.52 C ATOM 745 CE2 PHE A 48 -55.211 -28.336 74.271 1.00 1.14 C ATOM 746 CZ PHE A 48 -55.025 -29.698 74.329 1.00 0.04 C ATOM 0 H PHE A 48 -54.683 -29.154 79.105 1.00 0.05 H new ATOM 0 HA PHE A 48 -53.824 -26.301 79.353 1.00 0.06 H new ATOM 0 HB2 PHE A 48 -53.325 -26.133 76.983 1.00 0.06 H new ATOM 0 HB3 PHE A 48 -52.378 -27.460 77.627 1.00 0.06 H new ATOM 0 HD1 PHE A 48 -53.245 -29.892 77.183 1.00 1.57 H new ATOM 0 HD2 PHE A 48 -54.836 -26.462 75.216 1.00 1.11 H new ATOM 0 HE1 PHE A 48 -54.172 -31.318 75.412 1.00 1.52 H new ATOM 0 HE2 PHE A 48 -55.764 -27.899 73.453 1.00 1.14 H new ATOM 0 HZ PHE A 48 -55.433 -30.333 73.557 1.00 0.04 H new ATOM 756 N MET A 49 -55.906 -25.575 77.883 1.00 0.09 N ATOM 757 CA MET A 49 -57.298 -25.134 77.532 1.00 0.13 C ATOM 758 C MET A 49 -57.461 -24.865 76.030 1.00 0.17 C ATOM 759 O MET A 49 -56.541 -24.437 75.362 1.00 0.36 O ATOM 760 CB MET A 49 -57.588 -23.894 78.319 1.00 0.21 C ATOM 761 CG MET A 49 -59.011 -23.367 78.064 1.00 0.32 C ATOM 762 SD MET A 49 -59.520 -21.900 78.994 1.00 1.21 S ATOM 763 CE MET A 49 -60.233 -22.749 80.425 1.00 2.45 C ATOM 0 H MET A 49 -55.181 -24.883 77.695 1.00 0.09 H new ATOM 0 HA MET A 49 -58.001 -25.930 77.778 1.00 0.13 H new ATOM 0 HB2 MET A 49 -57.464 -24.102 79.382 1.00 0.21 H new ATOM 0 HB3 MET A 49 -56.864 -23.122 78.059 1.00 0.21 H new ATOM 0 HG2 MET A 49 -59.105 -23.144 77.001 1.00 0.32 H new ATOM 0 HG3 MET A 49 -59.715 -24.170 78.285 1.00 0.32 H new ATOM 0 HE1 MET A 49 -60.612 -22.012 81.133 1.00 2.45 H new ATOM 0 HE2 MET A 49 -61.050 -23.391 80.097 1.00 2.45 H new ATOM 0 HE3 MET A 49 -59.466 -23.355 80.907 1.00 2.45 H new ATOM 773 N LEU A 50 -58.647 -25.127 75.539 1.00 0.14 N ATOM 774 CA LEU A 50 -58.993 -24.929 74.104 1.00 0.17 C ATOM 775 C LEU A 50 -59.564 -23.532 73.827 1.00 0.22 C ATOM 776 O LEU A 50 -60.552 -23.138 74.413 1.00 0.28 O ATOM 777 CB LEU A 50 -60.009 -26.009 73.755 1.00 0.20 C ATOM 778 CG LEU A 50 -60.574 -25.867 72.338 1.00 0.26 C ATOM 779 CD1 LEU A 50 -59.461 -25.955 71.307 1.00 0.33 C ATOM 780 CD2 LEU A 50 -61.552 -27.013 72.098 1.00 0.32 C ATOM 0 H LEU A 50 -59.419 -25.485 76.102 1.00 0.14 H new ATOM 0 HA LEU A 50 -58.097 -25.005 73.489 1.00 0.17 H new ATOM 0 HB2 LEU A 50 -59.539 -26.987 73.856 1.00 0.20 H new ATOM 0 HB3 LEU A 50 -60.829 -25.973 74.472 1.00 0.20 H new ATOM 0 HG LEU A 50 -61.067 -24.900 72.242 1.00 0.26 H new ATOM 0 HD11 LEU A 50 -59.882 -25.852 70.307 1.00 0.33 H new ATOM 0 HD12 LEU A 50 -58.740 -25.156 71.481 1.00 0.33 H new ATOM 0 HD13 LEU A 50 -58.961 -26.920 71.392 1.00 0.33 H new ATOM 0 HD21 LEU A 50 -61.968 -26.932 71.094 1.00 0.32 H new ATOM 0 HD22 LEU A 50 -61.030 -27.964 72.199 1.00 0.32 H new ATOM 0 HD23 LEU A 50 -62.359 -26.962 72.829 1.00 0.32 H new ATOM 792 N GLY A 51 -58.931 -22.811 72.938 1.00 0.28 N ATOM 793 CA GLY A 51 -59.400 -21.430 72.581 1.00 0.42 C ATOM 794 C GLY A 51 -58.470 -20.356 73.144 1.00 0.46 C ATOM 795 O GLY A 51 -58.801 -19.187 73.146 1.00 0.94 O ATOM 0 H GLY A 51 -58.099 -23.121 72.436 1.00 0.28 H new ATOM 0 HA2 GLY A 51 -59.454 -21.333 71.497 1.00 0.42 H new ATOM 0 HA3 GLY A 51 -60.408 -21.277 72.966 1.00 0.42 H new ATOM 799 N LYS A 52 -57.321 -20.769 73.614 1.00 0.43 N ATOM 800 CA LYS A 52 -56.321 -19.810 74.195 1.00 0.69 C ATOM 801 C LYS A 52 -54.971 -19.973 73.490 1.00 0.64 C ATOM 802 O LYS A 52 -54.078 -19.165 73.652 1.00 1.41 O ATOM 803 CB LYS A 52 -56.190 -20.107 75.690 1.00 1.19 C ATOM 804 CG LYS A 52 -55.260 -19.072 76.327 1.00 2.11 C ATOM 805 CD LYS A 52 -55.302 -19.249 77.843 1.00 4.95 C ATOM 806 CE LYS A 52 -54.406 -18.178 78.472 1.00 7.89 C ATOM 807 NZ LYS A 52 -54.905 -16.819 78.113 1.00 8.93 N ATOM 0 H LYS A 52 -57.025 -21.745 73.622 1.00 0.43 H new ATOM 0 HA LYS A 52 -56.651 -18.781 74.052 1.00 0.69 H new ATOM 0 HB2 LYS A 52 -57.170 -20.076 76.167 1.00 1.19 H new ATOM 0 HB3 LYS A 52 -55.794 -21.111 75.840 1.00 1.19 H new ATOM 0 HG2 LYS A 52 -54.242 -19.200 75.959 1.00 2.11 H new ATOM 0 HG3 LYS A 52 -55.573 -18.064 76.055 1.00 2.11 H new ATOM 0 HD2 LYS A 52 -56.324 -19.153 78.209 1.00 4.95 H new ATOM 0 HD3 LYS A 52 -54.956 -20.245 78.120 1.00 4.95 H new ATOM 0 HE2 LYS A 52 -54.392 -18.295 79.556 1.00 7.89 H new ATOM 0 HE3 LYS A 52 -53.380 -18.301 78.125 1.00 7.89 H new ATOM 0 HZ1 LYS A 52 -54.570 -16.129 78.816 1.00 8.93 H new ATOM 0 HZ2 LYS A 52 -54.548 -16.556 77.172 1.00 8.93 H new ATOM 0 HZ3 LYS A 52 -55.945 -16.823 78.100 1.00 8.93 H new ATOM 821 N GLN A 53 -54.857 -21.019 72.719 1.00 0.62 N ATOM 822 CA GLN A 53 -53.583 -21.270 71.990 1.00 0.77 C ATOM 823 C GLN A 53 -52.390 -21.319 72.944 1.00 0.72 C ATOM 824 O GLN A 53 -51.567 -20.427 72.982 1.00 1.24 O ATOM 825 CB GLN A 53 -53.365 -20.162 70.955 1.00 1.49 C ATOM 826 CG GLN A 53 -54.521 -20.192 69.955 1.00 2.94 C ATOM 827 CD GLN A 53 -54.289 -19.097 68.913 1.00 3.82 C ATOM 828 OE1 GLN A 53 -54.229 -17.925 69.229 1.00 5.29 O ATOM 829 NE2 GLN A 53 -54.154 -19.437 67.661 1.00 5.97 N ATOM 0 H GLN A 53 -55.591 -21.710 72.563 1.00 0.62 H new ATOM 0 HA GLN A 53 -53.659 -22.239 71.496 1.00 0.77 H new ATOM 0 HB2 GLN A 53 -53.315 -19.190 71.446 1.00 1.49 H new ATOM 0 HB3 GLN A 53 -52.416 -20.308 70.440 1.00 1.49 H new ATOM 0 HG2 GLN A 53 -54.579 -21.168 69.473 1.00 2.94 H new ATOM 0 HG3 GLN A 53 -55.470 -20.032 70.468 1.00 2.94 H new ATOM 0 HE21 GLN A 53 -54.204 -20.419 67.391 1.00 5.97 H new ATOM 0 HE22 GLN A 53 -53.999 -18.720 66.952 1.00 5.97 H new ATOM 838 N GLU A 54 -52.340 -22.386 73.700 1.00 0.44 N ATOM 839 CA GLU A 54 -51.238 -22.602 74.691 1.00 0.48 C ATOM 840 C GLU A 54 -50.352 -23.690 74.094 1.00 0.38 C ATOM 841 O GLU A 54 -49.161 -23.740 74.326 1.00 0.44 O ATOM 842 CB GLU A 54 -51.814 -23.081 76.026 1.00 0.51 C ATOM 843 CG GLU A 54 -52.650 -21.958 76.640 1.00 1.87 C ATOM 844 CD GLU A 54 -53.169 -22.423 78.003 1.00 3.69 C ATOM 845 OE1 GLU A 54 -53.886 -23.410 78.000 1.00 6.22 O ATOM 846 OE2 GLU A 54 -52.816 -21.762 78.966 1.00 6.35 O ATOM 0 H GLU A 54 -53.032 -23.135 73.672 1.00 0.44 H new ATOM 0 HA GLU A 54 -50.684 -21.682 74.880 1.00 0.48 H new ATOM 0 HB2 GLU A 54 -52.429 -23.968 75.874 1.00 0.51 H new ATOM 0 HB3 GLU A 54 -51.008 -23.364 76.704 1.00 0.51 H new ATOM 0 HG2 GLU A 54 -52.048 -21.056 76.752 1.00 1.87 H new ATOM 0 HG3 GLU A 54 -53.483 -21.705 75.984 1.00 1.87 H new ATOM 853 N VAL A 55 -50.980 -24.545 73.326 1.00 0.27 N ATOM 854 CA VAL A 55 -50.258 -25.674 72.657 1.00 0.21 C ATOM 855 C VAL A 55 -50.264 -25.400 71.153 1.00 0.20 C ATOM 856 O VAL A 55 -51.113 -24.688 70.653 1.00 0.29 O ATOM 857 CB VAL A 55 -50.990 -26.990 72.943 1.00 0.18 C ATOM 858 CG1 VAL A 55 -51.039 -27.225 74.447 1.00 0.28 C ATOM 859 CG2 VAL A 55 -52.441 -26.930 72.441 1.00 0.22 C ATOM 0 H VAL A 55 -51.980 -24.508 73.130 1.00 0.27 H new ATOM 0 HA VAL A 55 -49.236 -25.753 73.029 1.00 0.21 H new ATOM 0 HB VAL A 55 -50.453 -27.790 72.433 1.00 0.18 H new ATOM 0 HG11 VAL A 55 -51.559 -28.161 74.652 1.00 0.28 H new ATOM 0 HG12 VAL A 55 -50.024 -27.281 74.840 1.00 0.28 H new ATOM 0 HG13 VAL A 55 -51.569 -26.402 74.927 1.00 0.28 H new ATOM 0 HG21 VAL A 55 -52.940 -27.875 72.655 1.00 0.22 H new ATOM 0 HG22 VAL A 55 -52.967 -26.120 72.945 1.00 0.22 H new ATOM 0 HG23 VAL A 55 -52.447 -26.752 71.366 1.00 0.22 H new ATOM 869 N ILE A 56 -49.319 -25.969 70.459 1.00 0.19 N ATOM 870 CA ILE A 56 -49.280 -25.738 68.988 1.00 0.17 C ATOM 871 C ILE A 56 -50.625 -26.153 68.390 1.00 0.13 C ATOM 872 O ILE A 56 -51.482 -26.650 69.093 1.00 0.16 O ATOM 873 CB ILE A 56 -48.128 -26.565 68.402 1.00 0.19 C ATOM 874 CG1 ILE A 56 -48.279 -28.005 68.948 1.00 0.25 C ATOM 875 CG2 ILE A 56 -46.809 -25.909 68.877 1.00 0.31 C ATOM 876 CD1 ILE A 56 -47.293 -28.969 68.289 1.00 0.00 C ATOM 0 H ILE A 56 -48.587 -26.571 70.835 1.00 0.19 H new ATOM 0 HA ILE A 56 -49.111 -24.687 68.754 1.00 0.17 H new ATOM 0 HB ILE A 56 -48.132 -26.599 67.313 1.00 0.19 H new ATOM 0 HG12 ILE A 56 -48.120 -28.003 70.026 1.00 0.25 H new ATOM 0 HG13 ILE A 56 -49.297 -28.354 68.777 1.00 0.25 H new ATOM 0 HG21 ILE A 56 -45.961 -26.468 68.481 1.00 0.31 H new ATOM 0 HG22 ILE A 56 -46.764 -24.881 68.519 1.00 0.31 H new ATOM 0 HG23 ILE A 56 -46.771 -25.916 69.966 1.00 0.31 H new ATOM 0 HD11 ILE A 56 -47.432 -29.969 68.700 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -47.469 -28.991 67.214 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -46.274 -28.635 68.483 1.00 0.00 H new ATOM 888 N ARG A 57 -50.798 -25.950 67.110 1.00 0.11 N ATOM 889 CA ARG A 57 -52.078 -26.325 66.470 1.00 0.08 C ATOM 890 C ARG A 57 -52.228 -27.838 66.417 1.00 0.05 C ATOM 891 O ARG A 57 -53.178 -28.353 66.973 1.00 0.04 O ATOM 892 CB ARG A 57 -52.116 -25.741 65.057 1.00 0.11 C ATOM 893 CG ARG A 57 -53.496 -26.033 64.460 1.00 0.26 C ATOM 894 CD ARG A 57 -53.619 -25.321 63.112 1.00 1.40 C ATOM 895 NE ARG A 57 -53.403 -23.856 63.354 1.00 2.99 N ATOM 896 CZ ARG A 57 -54.353 -22.979 63.151 1.00 5.47 C ATOM 897 NH1 ARG A 57 -55.579 -23.286 63.477 1.00 7.74 N ATOM 898 NH2 ARG A 57 -54.044 -21.824 62.628 1.00 9.62 N ATOM 0 H ARG A 57 -50.103 -25.540 66.486 1.00 0.11 H new ATOM 0 HA ARG A 57 -52.905 -25.925 67.057 1.00 0.08 H new ATOM 0 HB2 ARG A 57 -51.932 -24.667 65.084 1.00 0.11 H new ATOM 0 HB3 ARG A 57 -51.333 -26.183 64.441 1.00 0.11 H new ATOM 0 HG2 ARG A 57 -53.631 -27.107 64.332 1.00 0.26 H new ATOM 0 HG3 ARG A 57 -54.279 -25.692 65.138 1.00 0.26 H new ATOM 0 HD2 ARG A 57 -52.882 -25.706 62.407 1.00 1.40 H new ATOM 0 HD3 ARG A 57 -54.602 -25.496 62.674 1.00 1.40 H new ATOM 0 HE ARG A 57 -52.493 -23.536 63.685 1.00 2.99 H new ATOM 0 HH11 ARG A 57 -55.785 -24.198 63.884 1.00 7.74 H new ATOM 0 HH12 ARG A 57 -56.331 -22.613 63.325 1.00 7.74 H new ATOM 0 HH21 ARG A 57 -53.075 -21.617 62.385 1.00 9.62 H new ATOM 0 HH22 ARG A 57 -54.771 -21.128 62.463 1.00 9.62 H new ATOM 912 N GLY A 58 -51.307 -28.491 65.744 1.00 0.06 N ATOM 913 CA GLY A 58 -51.303 -29.987 65.604 1.00 0.06 C ATOM 914 C GLY A 58 -51.990 -30.663 66.786 1.00 0.05 C ATOM 915 O GLY A 58 -52.665 -31.666 66.656 1.00 0.08 O ATOM 0 H GLY A 58 -50.530 -28.032 65.269 1.00 0.06 H new ATOM 0 HA2 GLY A 58 -51.808 -30.268 64.680 1.00 0.06 H new ATOM 0 HA3 GLY A 58 -50.276 -30.343 65.527 1.00 0.06 H new ATOM 919 N TRP A 59 -51.772 -30.061 67.925 1.00 0.04 N ATOM 920 CA TRP A 59 -52.373 -30.586 69.180 1.00 0.05 C ATOM 921 C TRP A 59 -53.830 -30.133 69.166 1.00 0.05 C ATOM 922 O TRP A 59 -54.726 -30.908 68.904 1.00 0.05 O ATOM 923 CB TRP A 59 -51.655 -29.970 70.410 1.00 0.06 C ATOM 924 CG TRP A 59 -50.694 -30.939 71.101 1.00 0.05 C ATOM 925 CD1 TRP A 59 -49.719 -31.607 70.462 1.00 0.09 C ATOM 926 CD2 TRP A 59 -50.633 -31.228 72.418 1.00 0.06 C ATOM 927 NE1 TRP A 59 -49.102 -32.266 71.423 1.00 0.08 N ATOM 928 CE2 TRP A 59 -49.581 -32.105 72.654 1.00 0.06 C ATOM 929 CE3 TRP A 59 -51.424 -30.809 73.476 1.00 0.09 C ATOM 930 CZ2 TRP A 59 -49.344 -32.536 73.952 1.00 0.07 C ATOM 931 CZ3 TRP A 59 -51.171 -31.247 74.734 1.00 0.12 C ATOM 932 CH2 TRP A 59 -50.138 -32.106 74.973 1.00 0.10 C ATOM 0 H TRP A 59 -51.200 -29.224 68.038 1.00 0.04 H new ATOM 0 HA TRP A 59 -52.282 -31.670 69.243 1.00 0.05 H new ATOM 0 HB2 TRP A 59 -51.102 -29.086 70.093 1.00 0.06 H new ATOM 0 HB3 TRP A 59 -52.403 -29.637 71.129 1.00 0.06 H new ATOM 0 HD1 TRP A 59 -49.493 -31.605 69.406 1.00 0.09 H new ATOM 0 HE1 TRP A 59 -48.300 -32.867 71.233 1.00 0.08 H new ATOM 0 HE3 TRP A 59 -52.245 -30.131 73.298 1.00 0.09 H new ATOM 0 HZ2 TRP A 59 -48.528 -33.214 74.154 1.00 0.07 H new ATOM 0 HZ3 TRP A 59 -51.791 -30.914 75.553 1.00 0.12 H new ATOM 0 HH2 TRP A 59 -49.948 -32.448 75.980 1.00 0.10 H new ATOM 943 N GLU A 60 -53.990 -28.861 69.459 1.00 0.07 N ATOM 944 CA GLU A 60 -55.331 -28.191 69.510 1.00 0.09 C ATOM 945 C GLU A 60 -56.318 -28.882 68.566 1.00 0.06 C ATOM 946 O GLU A 60 -57.378 -29.327 68.958 1.00 0.05 O ATOM 947 CB GLU A 60 -55.144 -26.724 69.118 1.00 0.16 C ATOM 948 CG GLU A 60 -56.398 -25.952 69.533 1.00 0.21 C ATOM 949 CD GLU A 60 -56.293 -24.498 69.065 1.00 1.57 C ATOM 950 OE1 GLU A 60 -55.279 -24.191 68.461 1.00 3.75 O ATOM 951 OE2 GLU A 60 -57.239 -23.778 69.339 1.00 3.90 O ATOM 0 H GLU A 60 -53.212 -28.237 69.673 1.00 0.07 H new ATOM 0 HA GLU A 60 -55.743 -28.258 70.517 1.00 0.09 H new ATOM 0 HB2 GLU A 60 -54.263 -26.309 69.608 1.00 0.16 H new ATOM 0 HB3 GLU A 60 -54.982 -26.636 68.044 1.00 0.16 H new ATOM 0 HG2 GLU A 60 -57.283 -26.419 69.101 1.00 0.21 H new ATOM 0 HG3 GLU A 60 -56.516 -25.987 70.616 1.00 0.21 H new ATOM 958 N GLU A 61 -55.903 -28.951 67.330 1.00 0.08 N ATOM 959 CA GLU A 61 -56.721 -29.590 66.288 1.00 0.08 C ATOM 960 C GLU A 61 -56.699 -31.092 66.576 1.00 0.05 C ATOM 961 O GLU A 61 -57.727 -31.733 66.664 1.00 0.06 O ATOM 962 CB GLU A 61 -56.099 -29.279 64.918 1.00 0.12 C ATOM 963 CG GLU A 61 -56.833 -30.023 63.786 1.00 0.18 C ATOM 964 CD GLU A 61 -58.292 -29.564 63.679 1.00 1.17 C ATOM 965 OE1 GLU A 61 -59.043 -29.884 64.585 1.00 2.88 O ATOM 966 OE2 GLU A 61 -58.570 -28.914 62.685 1.00 3.69 O ATOM 0 H GLU A 61 -55.011 -28.580 67.003 1.00 0.08 H new ATOM 0 HA GLU A 61 -57.749 -29.226 66.283 1.00 0.08 H new ATOM 0 HB2 GLU A 61 -56.137 -28.205 64.735 1.00 0.12 H new ATOM 0 HB3 GLU A 61 -55.047 -29.564 64.921 1.00 0.12 H new ATOM 0 HG2 GLU A 61 -56.322 -29.846 62.839 1.00 0.18 H new ATOM 0 HG3 GLU A 61 -56.799 -31.097 63.970 1.00 0.18 H new ATOM 973 N GLY A 62 -55.510 -31.616 66.719 1.00 0.04 N ATOM 974 CA GLY A 62 -55.366 -33.060 67.003 1.00 0.04 C ATOM 975 C GLY A 62 -56.093 -33.470 68.287 1.00 0.04 C ATOM 976 O GLY A 62 -57.135 -34.087 68.239 1.00 0.07 O ATOM 0 H GLY A 62 -54.634 -31.098 66.650 1.00 0.04 H new ATOM 0 HA2 GLY A 62 -55.760 -33.635 66.165 1.00 0.04 H new ATOM 0 HA3 GLY A 62 -54.308 -33.308 67.091 1.00 0.04 H new ATOM 980 N VAL A 63 -55.534 -33.129 69.418 1.00 0.03 N ATOM 981 CA VAL A 63 -56.191 -33.495 70.705 1.00 0.04 C ATOM 982 C VAL A 63 -57.710 -33.294 70.659 1.00 0.04 C ATOM 983 O VAL A 63 -58.449 -34.179 71.031 1.00 0.06 O ATOM 984 CB VAL A 63 -55.597 -32.646 71.826 1.00 0.04 C ATOM 985 CG1 VAL A 63 -56.190 -33.170 73.145 1.00 0.05 C ATOM 986 CG2 VAL A 63 -54.043 -32.741 71.839 1.00 0.05 C ATOM 0 H VAL A 63 -54.657 -32.616 69.506 1.00 0.03 H new ATOM 0 HA VAL A 63 -56.008 -34.554 70.886 1.00 0.04 H new ATOM 0 HB VAL A 63 -55.842 -31.594 71.682 1.00 0.04 H new ATOM 0 HG11 VAL A 63 -55.792 -32.591 73.978 1.00 0.05 H new ATOM 0 HG12 VAL A 63 -57.275 -33.072 73.120 1.00 0.05 H new ATOM 0 HG13 VAL A 63 -55.923 -34.219 73.272 1.00 0.05 H new ATOM 0 HG21 VAL A 63 -53.648 -32.126 72.648 1.00 0.05 H new ATOM 0 HG22 VAL A 63 -53.743 -33.778 71.991 1.00 0.05 H new ATOM 0 HG23 VAL A 63 -53.649 -32.386 70.887 1.00 0.05 H new ATOM 996 N ALA A 64 -58.165 -32.147 70.230 1.00 0.04 N ATOM 997 CA ALA A 64 -59.647 -31.937 70.172 1.00 0.05 C ATOM 998 C ALA A 64 -60.352 -33.139 69.552 1.00 0.05 C ATOM 999 O ALA A 64 -61.171 -33.820 70.135 1.00 0.10 O ATOM 1000 CB ALA A 64 -59.954 -30.722 69.318 1.00 0.05 C ATOM 0 H ALA A 64 -57.593 -31.361 69.923 1.00 0.04 H new ATOM 0 HA ALA A 64 -60.003 -31.798 71.193 1.00 0.05 H new ATOM 0 HB1 ALA A 64 -61.033 -30.570 69.276 1.00 0.05 H new ATOM 0 HB2 ALA A 64 -59.480 -29.842 69.753 1.00 0.05 H new ATOM 0 HB3 ALA A 64 -59.570 -30.880 68.310 1.00 0.05 H new ATOM 1006 N GLN A 65 -59.941 -33.309 68.333 1.00 0.03 N ATOM 1007 CA GLN A 65 -60.414 -34.372 67.431 1.00 0.03 C ATOM 1008 C GLN A 65 -60.369 -35.709 68.160 1.00 0.04 C ATOM 1009 O GLN A 65 -60.905 -36.689 67.681 1.00 0.08 O ATOM 1010 CB GLN A 65 -59.498 -34.260 66.214 1.00 0.04 C ATOM 1011 CG GLN A 65 -59.980 -35.002 64.977 1.00 0.04 C ATOM 1012 CD GLN A 65 -59.022 -34.624 63.824 1.00 0.05 C ATOM 1013 OE1 GLN A 65 -59.102 -35.167 62.740 1.00 0.06 O ATOM 1014 NE2 GLN A 65 -58.106 -33.701 64.012 1.00 0.04 N ATOM 0 H GLN A 65 -59.243 -32.703 67.902 1.00 0.03 H new ATOM 0 HA GLN A 65 -61.452 -34.282 67.110 1.00 0.03 H new ATOM 0 HB2 GLN A 65 -59.379 -33.206 65.964 1.00 0.04 H new ATOM 0 HB3 GLN A 65 -58.512 -34.637 66.484 1.00 0.04 H new ATOM 0 HG2 GLN A 65 -59.974 -36.079 65.146 1.00 0.04 H new ATOM 0 HG3 GLN A 65 -61.005 -34.723 64.734 1.00 0.04 H new ATOM 0 HE21 GLN A 65 -58.028 -33.237 64.917 1.00 0.04 H new ATOM 0 HE22 GLN A 65 -57.473 -33.448 63.253 1.00 0.04 H new ATOM 1023 N MET A 66 -59.731 -35.740 69.309 1.00 0.04 N ATOM 1024 CA MET A 66 -59.674 -37.052 70.063 1.00 0.05 C ATOM 1025 C MET A 66 -60.772 -37.049 71.135 1.00 0.03 C ATOM 1026 O MET A 66 -61.226 -36.001 71.547 1.00 0.02 O ATOM 1027 CB MET A 66 -58.325 -37.219 70.763 1.00 0.10 C ATOM 1028 CG MET A 66 -57.208 -37.182 69.726 1.00 0.93 C ATOM 1029 SD MET A 66 -55.521 -37.368 70.354 1.00 1.51 S ATOM 1030 CE MET A 66 -55.642 -39.121 70.790 1.00 1.77 C ATOM 0 H MET A 66 -59.261 -34.949 69.750 1.00 0.04 H new ATOM 0 HA MET A 66 -59.813 -37.869 69.355 1.00 0.05 H new ATOM 0 HB2 MET A 66 -58.182 -36.425 71.496 1.00 0.10 H new ATOM 0 HB3 MET A 66 -58.300 -38.163 71.307 1.00 0.10 H new ATOM 0 HG2 MET A 66 -57.391 -37.973 68.998 1.00 0.93 H new ATOM 0 HG3 MET A 66 -57.271 -36.235 69.190 1.00 0.93 H new ATOM 0 HE1 MET A 66 -54.642 -39.530 70.934 1.00 1.77 H new ATOM 0 HE2 MET A 66 -56.214 -39.228 71.711 1.00 1.77 H new ATOM 0 HE3 MET A 66 -56.143 -39.662 69.987 1.00 1.77 H new ATOM 1040 N SER A 67 -61.175 -38.217 71.578 1.00 0.03 N ATOM 1041 CA SER A 67 -62.253 -38.317 72.626 1.00 0.03 C ATOM 1042 C SER A 67 -61.756 -38.927 73.935 1.00 0.03 C ATOM 1043 O SER A 67 -60.847 -39.731 73.984 1.00 0.06 O ATOM 1044 CB SER A 67 -63.388 -39.184 72.091 1.00 0.05 C ATOM 1045 OG SER A 67 -62.767 -40.442 71.878 1.00 0.07 O ATOM 0 H SER A 67 -60.804 -39.112 71.260 1.00 0.03 H new ATOM 0 HA SER A 67 -62.587 -37.302 72.839 1.00 0.03 H new ATOM 0 HB2 SER A 67 -64.209 -39.257 72.804 1.00 0.05 H new ATOM 0 HB3 SER A 67 -63.803 -38.779 71.168 1.00 0.05 H new ATOM 0 HG SER A 67 -63.427 -41.078 71.530 1.00 0.07 H new ATOM 1051 N VAL A 68 -62.415 -38.486 74.967 1.00 0.02 N ATOM 1052 CA VAL A 68 -62.119 -38.931 76.349 1.00 0.02 C ATOM 1053 C VAL A 68 -61.933 -40.438 76.500 1.00 0.03 C ATOM 1054 O VAL A 68 -62.897 -41.174 76.576 1.00 0.04 O ATOM 1055 CB VAL A 68 -63.267 -38.428 77.220 1.00 0.04 C ATOM 1056 CG1 VAL A 68 -63.205 -38.951 78.645 1.00 0.06 C ATOM 1057 CG2 VAL A 68 -63.227 -36.900 77.254 1.00 0.06 C ATOM 0 H VAL A 68 -63.175 -37.809 74.903 1.00 0.02 H new ATOM 0 HA VAL A 68 -61.158 -38.517 76.654 1.00 0.02 H new ATOM 0 HB VAL A 68 -64.193 -38.796 76.779 1.00 0.04 H new ATOM 0 HG11 VAL A 68 -64.048 -38.558 79.214 1.00 0.06 H new ATOM 0 HG12 VAL A 68 -63.250 -40.040 78.635 1.00 0.06 H new ATOM 0 HG13 VAL A 68 -62.273 -38.631 79.110 1.00 0.06 H new ATOM 0 HG21 VAL A 68 -64.043 -36.528 77.874 1.00 0.06 H new ATOM 0 HG22 VAL A 68 -62.275 -36.570 77.671 1.00 0.06 H new ATOM 0 HG23 VAL A 68 -63.334 -36.511 76.242 1.00 0.06 H new ATOM 1067 N GLY A 69 -60.704 -40.880 76.542 1.00 0.02 N ATOM 1068 CA GLY A 69 -60.430 -42.346 76.692 1.00 0.04 C ATOM 1069 C GLY A 69 -59.811 -42.880 75.411 1.00 0.04 C ATOM 1070 O GLY A 69 -59.641 -44.072 75.248 1.00 0.06 O ATOM 0 H GLY A 69 -59.874 -40.290 76.479 1.00 0.02 H new ATOM 0 HA2 GLY A 69 -59.757 -42.517 77.532 1.00 0.04 H new ATOM 0 HA3 GLY A 69 -61.355 -42.879 76.911 1.00 0.04 H new ATOM 1074 N GLN A 70 -59.481 -41.983 74.515 1.00 0.03 N ATOM 1075 CA GLN A 70 -58.858 -42.411 73.213 1.00 0.03 C ATOM 1076 C GLN A 70 -57.383 -42.062 73.176 1.00 0.03 C ATOM 1077 O GLN A 70 -56.945 -41.075 73.733 1.00 0.05 O ATOM 1078 CB GLN A 70 -59.576 -41.701 72.040 1.00 0.05 C ATOM 1079 CG GLN A 70 -58.851 -41.999 70.710 1.00 0.08 C ATOM 1080 CD GLN A 70 -59.684 -41.462 69.542 1.00 0.34 C ATOM 1081 OE1 GLN A 70 -60.835 -41.811 69.369 1.00 1.59 O ATOM 1082 NE2 GLN A 70 -59.136 -40.611 68.715 1.00 0.16 N ATOM 0 H GLN A 70 -59.613 -40.977 74.623 1.00 0.03 H new ATOM 0 HA GLN A 70 -58.964 -43.492 73.121 1.00 0.03 H new ATOM 0 HB2 GLN A 70 -60.611 -42.037 71.981 1.00 0.05 H new ATOM 0 HB3 GLN A 70 -59.600 -40.626 72.216 1.00 0.05 H new ATOM 0 HG2 GLN A 70 -57.864 -41.536 70.710 1.00 0.08 H new ATOM 0 HG3 GLN A 70 -58.699 -43.073 70.599 1.00 0.08 H new ATOM 0 HE21 GLN A 70 -58.170 -40.314 68.855 1.00 0.16 H new ATOM 0 HE22 GLN A 70 -59.674 -40.244 67.930 1.00 0.16 H new ATOM 1091 N ARG A 71 -56.647 -42.912 72.502 1.00 0.03 N ATOM 1092 CA ARG A 71 -55.171 -42.710 72.363 1.00 0.04 C ATOM 1093 C ARG A 71 -54.805 -42.840 70.901 1.00 0.02 C ATOM 1094 O ARG A 71 -55.316 -43.682 70.183 1.00 0.03 O ATOM 1095 CB ARG A 71 -54.455 -43.755 73.179 1.00 0.08 C ATOM 1096 CG ARG A 71 -52.976 -43.391 73.311 1.00 0.64 C ATOM 1097 CD ARG A 71 -52.348 -44.340 74.331 1.00 0.74 C ATOM 1098 NE ARG A 71 -52.297 -45.724 73.757 1.00 1.15 N ATOM 1099 CZ ARG A 71 -51.210 -46.455 73.793 1.00 3.11 C ATOM 1100 NH1 ARG A 71 -50.167 -46.071 74.480 1.00 6.18 N ATOM 1101 NH2 ARG A 71 -51.202 -47.576 73.126 1.00 5.72 N ATOM 0 H ARG A 71 -57.010 -43.745 72.038 1.00 0.03 H new ATOM 0 HA ARG A 71 -54.880 -41.723 72.722 1.00 0.04 H new ATOM 0 HB2 ARG A 71 -54.909 -43.831 74.167 1.00 0.08 H new ATOM 0 HB3 ARG A 71 -54.557 -44.731 72.705 1.00 0.08 H new ATOM 0 HG2 ARG A 71 -52.474 -43.480 72.348 1.00 0.64 H new ATOM 0 HG3 ARG A 71 -52.865 -42.356 73.634 1.00 0.64 H new ATOM 0 HD2 ARG A 71 -51.343 -44.003 74.587 1.00 0.74 H new ATOM 0 HD3 ARG A 71 -52.930 -44.338 75.253 1.00 0.74 H new ATOM 0 HE ARG A 71 -53.136 -46.109 73.324 1.00 1.15 H new ATOM 0 HH11 ARG A 71 -50.192 -45.192 74.997 1.00 6.18 H new ATOM 0 HH12 ARG A 71 -49.328 -46.650 74.499 1.00 6.18 H new ATOM 0 HH21 ARG A 71 -52.026 -47.861 72.597 1.00 5.72 H new ATOM 0 HH22 ARG A 71 -50.371 -48.168 73.133 1.00 5.72 H new ATOM 1115 N ALA A 72 -53.900 -41.979 70.527 1.00 0.02 N ATOM 1116 CA ALA A 72 -53.425 -41.954 69.103 1.00 0.03 C ATOM 1117 C ALA A 72 -51.978 -41.521 68.922 1.00 0.03 C ATOM 1118 O ALA A 72 -51.280 -41.173 69.852 1.00 0.03 O ATOM 1119 CB ALA A 72 -54.292 -40.994 68.311 1.00 0.04 C ATOM 0 H ALA A 72 -53.465 -41.290 71.141 1.00 0.02 H new ATOM 0 HA ALA A 72 -53.497 -42.983 68.752 1.00 0.03 H new ATOM 0 HB1 ALA A 72 -53.954 -40.969 67.275 1.00 0.04 H new ATOM 0 HB2 ALA A 72 -55.329 -41.327 68.347 1.00 0.04 H new ATOM 0 HB3 ALA A 72 -54.216 -39.995 68.741 1.00 0.04 H new ATOM 1125 N LYS A 73 -51.605 -41.568 67.668 1.00 0.03 N ATOM 1126 CA LYS A 73 -50.240 -41.183 67.208 1.00 0.03 C ATOM 1127 C LYS A 73 -50.526 -40.099 66.179 1.00 0.03 C ATOM 1128 O LYS A 73 -50.949 -40.373 65.074 1.00 0.04 O ATOM 1129 CB LYS A 73 -49.514 -42.360 66.532 1.00 0.04 C ATOM 1130 CG LYS A 73 -48.092 -41.857 66.181 1.00 0.06 C ATOM 1131 CD LYS A 73 -47.156 -42.985 65.706 1.00 0.42 C ATOM 1132 CE LYS A 73 -47.613 -43.572 64.368 1.00 1.81 C ATOM 1133 NZ LYS A 73 -48.846 -44.387 64.546 1.00 4.65 N ATOM 0 H LYS A 73 -52.221 -41.871 66.914 1.00 0.03 H new ATOM 0 HA LYS A 73 -49.597 -40.867 68.029 1.00 0.03 H new ATOM 0 HB2 LYS A 73 -49.467 -43.221 67.199 1.00 0.04 H new ATOM 0 HB3 LYS A 73 -50.045 -42.680 65.635 1.00 0.04 H new ATOM 0 HG2 LYS A 73 -48.163 -41.098 65.402 1.00 0.06 H new ATOM 0 HG3 LYS A 73 -47.656 -41.375 67.056 1.00 0.06 H new ATOM 0 HD2 LYS A 73 -46.142 -42.599 65.607 1.00 0.42 H new ATOM 0 HD3 LYS A 73 -47.125 -43.773 66.458 1.00 0.42 H new ATOM 0 HE2 LYS A 73 -47.802 -42.767 63.658 1.00 1.81 H new ATOM 0 HE3 LYS A 73 -46.820 -44.190 63.946 1.00 1.81 H new ATOM 0 HZ1 LYS A 73 -48.771 -45.258 63.982 1.00 4.65 H new ATOM 0 HZ2 LYS A 73 -48.957 -44.633 65.550 1.00 4.65 H new ATOM 0 HZ3 LYS A 73 -49.672 -43.840 64.230 1.00 4.65 H new ATOM 1147 N LEU A 74 -50.287 -38.877 66.571 1.00 0.03 N ATOM 1148 CA LEU A 74 -50.540 -37.726 65.649 1.00 0.04 C ATOM 1149 C LEU A 74 -49.234 -37.367 64.928 1.00 0.03 C ATOM 1150 O LEU A 74 -48.154 -37.567 65.450 1.00 0.04 O ATOM 1151 CB LEU A 74 -51.022 -36.504 66.468 1.00 0.05 C ATOM 1152 CG LEU A 74 -51.946 -36.936 67.609 1.00 0.15 C ATOM 1153 CD1 LEU A 74 -52.357 -35.700 68.404 1.00 0.65 C ATOM 1154 CD2 LEU A 74 -53.187 -37.606 67.059 1.00 1.04 C ATOM 0 H LEU A 74 -49.927 -38.623 67.491 1.00 0.03 H new ATOM 0 HA LEU A 74 -51.304 -38.000 64.921 1.00 0.04 H new ATOM 0 HB2 LEU A 74 -50.162 -35.972 66.874 1.00 0.05 H new ATOM 0 HB3 LEU A 74 -51.547 -35.808 65.814 1.00 0.05 H new ATOM 0 HG LEU A 74 -51.418 -37.643 68.249 1.00 0.15 H new ATOM 0 HD11 LEU A 74 -53.016 -35.995 69.220 1.00 0.65 H new ATOM 0 HD12 LEU A 74 -51.469 -35.217 68.811 1.00 0.65 H new ATOM 0 HD13 LEU A 74 -52.880 -35.003 67.749 1.00 0.65 H new ATOM 0 HD21 LEU A 74 -53.834 -37.907 67.883 1.00 1.04 H new ATOM 0 HD22 LEU A 74 -53.722 -36.908 66.415 1.00 1.04 H new ATOM 0 HD23 LEU A 74 -52.900 -38.486 66.483 1.00 1.04 H new ATOM 1166 N THR A 75 -49.371 -36.837 63.740 1.00 0.04 N ATOM 1167 CA THR A 75 -48.176 -36.433 62.925 1.00 0.05 C ATOM 1168 C THR A 75 -48.379 -34.950 62.640 1.00 0.05 C ATOM 1169 O THR A 75 -49.304 -34.573 61.950 1.00 0.11 O ATOM 1170 CB THR A 75 -48.150 -37.219 61.617 1.00 0.06 C ATOM 1171 OG1 THR A 75 -48.143 -38.580 62.026 1.00 0.06 O ATOM 1172 CG2 THR A 75 -46.804 -37.034 60.911 1.00 0.07 C ATOM 0 H THR A 75 -50.270 -36.663 63.291 1.00 0.04 H new ATOM 0 HA THR A 75 -47.236 -36.628 63.442 1.00 0.05 H new ATOM 0 HB THR A 75 -48.972 -36.914 60.969 1.00 0.06 H new ATOM 0 HG1 THR A 75 -48.128 -39.159 61.236 1.00 0.06 H new ATOM 0 HG21 THR A 75 -46.801 -37.601 59.980 1.00 0.07 H new ATOM 0 HG22 THR A 75 -46.650 -35.977 60.693 1.00 0.07 H new ATOM 0 HG23 THR A 75 -46.002 -37.392 61.557 1.00 0.07 H new ATOM 1180 N ILE A 76 -47.512 -34.130 63.173 1.00 0.05 N ATOM 1181 CA ILE A 76 -47.616 -32.651 62.969 1.00 0.05 C ATOM 1182 C ILE A 76 -46.526 -32.204 62.012 1.00 0.06 C ATOM 1183 O ILE A 76 -45.382 -32.596 62.128 1.00 0.08 O ATOM 1184 CB ILE A 76 -47.429 -31.949 64.318 1.00 0.07 C ATOM 1185 CG1 ILE A 76 -48.401 -32.616 65.328 1.00 0.07 C ATOM 1186 CG2 ILE A 76 -47.752 -30.449 64.095 1.00 0.08 C ATOM 1187 CD1 ILE A 76 -48.232 -32.083 66.749 1.00 0.00 C ATOM 0 H ILE A 76 -46.724 -34.425 63.750 1.00 0.05 H new ATOM 0 HA ILE A 76 -48.592 -32.398 62.555 1.00 0.05 H new ATOM 0 HB ILE A 76 -46.417 -32.033 64.713 1.00 0.07 H new ATOM 0 HG12 ILE A 76 -49.428 -32.450 65.002 1.00 0.07 H new ATOM 0 HG13 ILE A 76 -48.237 -33.694 65.327 1.00 0.07 H new ATOM 0 HG21 ILE A 76 -47.632 -29.907 65.033 1.00 0.08 H new ATOM 0 HG22 ILE A 76 -47.072 -30.038 63.349 1.00 0.08 H new ATOM 0 HG23 ILE A 76 -48.779 -30.346 63.746 1.00 0.08 H new ATOM 0 HD11 ILE A 76 -48.937 -32.585 67.412 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -47.214 -32.273 67.090 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -48.424 -31.010 66.760 1.00 0.00 H new ATOM 1199 N SER A 77 -46.936 -31.369 61.095 1.00 0.07 N ATOM 1200 CA SER A 77 -46.019 -30.809 60.048 1.00 0.10 C ATOM 1201 C SER A 77 -45.715 -29.342 60.404 1.00 0.10 C ATOM 1202 O SER A 77 -46.512 -28.713 61.073 1.00 0.12 O ATOM 1203 CB SER A 77 -46.764 -30.938 58.708 1.00 0.18 C ATOM 1204 OG SER A 77 -47.999 -30.286 58.969 1.00 0.50 O ATOM 0 H SER A 77 -47.899 -31.039 61.023 1.00 0.07 H new ATOM 0 HA SER A 77 -45.066 -31.335 59.986 1.00 0.10 H new ATOM 0 HB2 SER A 77 -46.218 -30.460 57.895 1.00 0.18 H new ATOM 0 HB3 SER A 77 -46.909 -31.981 58.425 1.00 0.18 H new ATOM 0 HG SER A 77 -48.739 -30.899 58.777 1.00 0.50 H new ATOM 1210 N PRO A 78 -44.595 -28.812 59.968 1.00 0.11 N ATOM 1211 CA PRO A 78 -44.161 -27.450 60.367 1.00 0.16 C ATOM 1212 C PRO A 78 -45.311 -26.441 60.482 1.00 0.20 C ATOM 1213 O PRO A 78 -45.476 -25.784 61.490 1.00 0.31 O ATOM 1214 CB PRO A 78 -43.088 -27.078 59.299 1.00 0.24 C ATOM 1215 CG PRO A 78 -43.242 -28.170 58.210 1.00 0.18 C ATOM 1216 CD PRO A 78 -43.612 -29.410 59.021 1.00 0.14 C ATOM 0 HA PRO A 78 -43.754 -27.425 61.378 1.00 0.16 H new ATOM 0 HB2 PRO A 78 -43.260 -26.082 58.891 1.00 0.24 H new ATOM 0 HB3 PRO A 78 -42.085 -27.079 59.725 1.00 0.24 H new ATOM 0 HG2 PRO A 78 -44.017 -27.914 57.487 1.00 0.18 H new ATOM 0 HG3 PRO A 78 -42.319 -28.315 57.649 1.00 0.18 H new ATOM 0 HD2 PRO A 78 -44.050 -30.196 58.406 1.00 0.14 H new ATOM 0 HD3 PRO A 78 -42.753 -29.846 59.531 1.00 0.14 H new ATOM 1224 N ASP A 79 -46.075 -26.349 59.430 1.00 0.20 N ATOM 1225 CA ASP A 79 -47.222 -25.411 59.392 1.00 0.33 C ATOM 1226 C ASP A 79 -48.035 -25.398 60.684 1.00 0.24 C ATOM 1227 O ASP A 79 -48.485 -24.362 61.131 1.00 0.27 O ATOM 1228 CB ASP A 79 -48.096 -25.802 58.180 1.00 0.51 C ATOM 1229 CG ASP A 79 -48.401 -27.305 58.188 1.00 0.45 C ATOM 1230 OD1 ASP A 79 -47.458 -28.049 58.401 1.00 1.43 O ATOM 1231 OD2 ASP A 79 -49.559 -27.625 57.971 1.00 1.63 O ATOM 0 H ASP A 79 -45.947 -26.897 58.580 1.00 0.20 H new ATOM 0 HA ASP A 79 -46.845 -24.393 59.291 1.00 0.33 H new ATOM 0 HB2 ASP A 79 -49.028 -25.237 58.201 1.00 0.51 H new ATOM 0 HB3 ASP A 79 -47.583 -25.536 57.256 1.00 0.51 H new ATOM 1236 N TYR A 80 -48.205 -26.561 61.258 1.00 0.22 N ATOM 1237 CA TYR A 80 -48.984 -26.710 62.522 1.00 0.19 C ATOM 1238 C TYR A 80 -48.080 -26.805 63.762 1.00 0.30 C ATOM 1239 O TYR A 80 -48.543 -26.596 64.866 1.00 0.84 O ATOM 1240 CB TYR A 80 -49.848 -27.980 62.393 1.00 0.16 C ATOM 1241 CG TYR A 80 -51.119 -27.772 61.530 1.00 0.12 C ATOM 1242 CD1 TYR A 80 -51.120 -27.052 60.344 1.00 1.25 C ATOM 1243 CD2 TYR A 80 -52.314 -28.335 61.949 1.00 1.70 C ATOM 1244 CE1 TYR A 80 -52.278 -26.904 59.607 1.00 1.20 C ATOM 1245 CE2 TYR A 80 -53.469 -28.186 61.210 1.00 1.77 C ATOM 1246 CZ TYR A 80 -53.459 -27.469 60.035 1.00 0.15 C ATOM 1247 OH TYR A 80 -54.615 -27.323 59.296 1.00 0.21 O ATOM 0 H TYR A 80 -47.826 -27.435 60.893 1.00 0.22 H new ATOM 0 HA TYR A 80 -49.603 -25.824 62.662 1.00 0.19 H new ATOM 0 HB2 TYR A 80 -49.247 -28.777 61.956 1.00 0.16 H new ATOM 0 HB3 TYR A 80 -50.143 -28.313 63.388 1.00 0.16 H new ATOM 0 HD1 TYR A 80 -50.203 -26.602 59.993 1.00 1.25 H new ATOM 0 HD2 TYR A 80 -52.341 -28.900 62.869 1.00 1.70 H new ATOM 0 HE1 TYR A 80 -52.258 -26.340 58.686 1.00 1.20 H new ATOM 0 HE2 TYR A 80 -54.388 -28.635 61.556 1.00 1.77 H new ATOM 0 HH TYR A 80 -55.352 -27.787 59.746 1.00 0.21 H new ATOM 1257 N ALA A 81 -46.821 -27.111 63.586 1.00 0.46 N ATOM 1258 CA ALA A 81 -45.927 -27.211 64.785 1.00 0.59 C ATOM 1259 C ALA A 81 -45.376 -25.838 65.179 1.00 0.51 C ATOM 1260 O ALA A 81 -46.114 -24.962 65.583 1.00 2.03 O ATOM 1261 CB ALA A 81 -44.761 -28.168 64.463 1.00 0.83 C ATOM 0 H ALA A 81 -46.377 -27.293 62.686 1.00 0.46 H new ATOM 0 HA ALA A 81 -46.507 -27.594 65.624 1.00 0.59 H new ATOM 0 HB1 ALA A 81 -44.105 -28.247 65.330 1.00 0.83 H new ATOM 0 HB2 ALA A 81 -45.157 -29.153 64.216 1.00 0.83 H new ATOM 0 HB3 ALA A 81 -44.196 -27.781 63.615 1.00 0.83 H new ATOM 1267 N TYR A 82 -44.088 -25.675 65.054 1.00 0.33 N ATOM 1268 CA TYR A 82 -43.420 -24.391 65.403 1.00 0.59 C ATOM 1269 C TYR A 82 -42.886 -23.824 64.087 1.00 1.12 C ATOM 1270 O TYR A 82 -41.691 -23.774 63.875 1.00 3.42 O ATOM 1271 CB TYR A 82 -42.282 -24.684 66.361 1.00 0.52 C ATOM 1272 CG TYR A 82 -42.756 -25.431 67.625 1.00 0.36 C ATOM 1273 CD1 TYR A 82 -43.488 -24.761 68.590 1.00 1.11 C ATOM 1274 CD2 TYR A 82 -42.437 -26.768 67.839 1.00 0.97 C ATOM 1275 CE1 TYR A 82 -43.891 -25.398 69.746 1.00 1.09 C ATOM 1276 CE2 TYR A 82 -42.842 -27.398 69.005 1.00 1.13 C ATOM 1277 CZ TYR A 82 -43.569 -26.721 69.961 1.00 0.50 C ATOM 1278 OH TYR A 82 -43.970 -27.361 71.117 1.00 0.75 O ATOM 0 H TYR A 82 -43.454 -26.399 64.715 1.00 0.33 H new ATOM 0 HA TYR A 82 -44.094 -23.682 65.883 1.00 0.59 H new ATOM 0 HB2 TYR A 82 -41.526 -25.281 65.851 1.00 0.52 H new ATOM 0 HB3 TYR A 82 -41.806 -23.748 66.652 1.00 0.52 H new ATOM 0 HD1 TYR A 82 -43.748 -23.724 68.436 1.00 1.11 H new ATOM 0 HD2 TYR A 82 -41.874 -27.315 67.097 1.00 0.97 H new ATOM 0 HE1 TYR A 82 -44.462 -24.857 70.486 1.00 1.09 H new ATOM 0 HE2 TYR A 82 -42.584 -28.434 69.167 1.00 1.13 H new ATOM 0 HH TYR A 82 -43.658 -28.290 71.102 1.00 0.75 H new ATOM 1288 N GLY A 83 -43.822 -23.418 63.266 1.00 1.46 N ATOM 1289 CA GLY A 83 -43.524 -22.836 61.920 1.00 2.09 C ATOM 1290 C GLY A 83 -42.146 -23.213 61.369 1.00 2.39 C ATOM 1291 O GLY A 83 -41.879 -24.367 61.096 1.00 4.82 O ATOM 0 H GLY A 83 -44.818 -23.468 63.482 1.00 1.46 H new ATOM 0 HA2 GLY A 83 -44.288 -23.166 61.216 1.00 2.09 H new ATOM 0 HA3 GLY A 83 -43.595 -21.750 61.982 1.00 2.09 H new ATOM 1295 N ALA A 84 -41.295 -22.233 61.217 1.00 2.88 N ATOM 1296 CA ALA A 84 -39.911 -22.468 60.684 1.00 4.27 C ATOM 1297 C ALA A 84 -38.879 -22.056 61.733 1.00 4.23 C ATOM 1298 O ALA A 84 -37.732 -22.452 61.681 1.00 6.59 O ATOM 1299 CB ALA A 84 -39.726 -21.636 59.417 1.00 6.86 C ATOM 0 H ALA A 84 -41.500 -21.260 61.443 1.00 2.88 H new ATOM 0 HA ALA A 84 -39.775 -23.525 60.454 1.00 4.27 H new ATOM 0 HB1 ALA A 84 -38.724 -21.797 59.019 1.00 6.86 H new ATOM 0 HB2 ALA A 84 -40.465 -21.936 58.674 1.00 6.86 H new ATOM 0 HB3 ALA A 84 -39.857 -20.580 59.653 1.00 6.86 H new ATOM 1305 N THR A 85 -39.324 -21.259 62.670 1.00 3.96 N ATOM 1306 CA THR A 85 -38.436 -20.761 63.772 1.00 4.99 C ATOM 1307 C THR A 85 -38.886 -21.312 65.127 1.00 4.18 C ATOM 1308 O THR A 85 -39.665 -20.690 65.822 1.00 6.52 O ATOM 1309 CB THR A 85 -38.494 -19.240 63.802 1.00 8.94 C ATOM 1310 OG1 THR A 85 -38.065 -18.850 62.505 1.00 11.57 O ATOM 1311 CG2 THR A 85 -37.416 -18.690 64.739 1.00 12.67 C ATOM 0 H THR A 85 -40.286 -20.924 62.721 1.00 3.96 H new ATOM 0 HA THR A 85 -37.417 -21.100 63.584 1.00 4.99 H new ATOM 0 HB THR A 85 -39.482 -18.894 64.105 1.00 8.94 H new ATOM 0 HG1 THR A 85 -38.075 -17.872 62.437 1.00 11.57 H new ATOM 0 HG21 THR A 85 -37.467 -17.601 64.753 1.00 12.67 H new ATOM 0 HG22 THR A 85 -37.579 -19.074 65.746 1.00 12.67 H new ATOM 0 HG23 THR A 85 -36.433 -19.003 64.386 1.00 12.67 H new ATOM 1319 N GLY A 86 -38.390 -22.470 65.483 1.00 3.26 N ATOM 1320 CA GLY A 86 -38.777 -23.079 66.795 1.00 3.97 C ATOM 1321 C GLY A 86 -37.655 -22.761 67.781 1.00 4.00 C ATOM 1322 O GLY A 86 -37.689 -21.738 68.435 1.00 5.68 O ATOM 0 H GLY A 86 -37.736 -23.019 64.925 1.00 3.26 H new ATOM 0 HA2 GLY A 86 -39.725 -22.671 67.145 1.00 3.97 H new ATOM 0 HA3 GLY A 86 -38.910 -24.156 66.696 1.00 3.97 H new ATOM 1326 N HIS A 87 -36.676 -23.621 67.888 1.00 3.05 N ATOM 1327 CA HIS A 87 -35.562 -23.327 68.843 1.00 3.71 C ATOM 1328 C HIS A 87 -34.367 -24.251 68.487 1.00 3.06 C ATOM 1329 O HIS A 87 -34.588 -25.432 68.305 1.00 3.40 O ATOM 1330 CB HIS A 87 -36.075 -23.598 70.261 1.00 5.10 C ATOM 1331 CG HIS A 87 -35.126 -22.963 71.281 1.00 8.54 C ATOM 1332 ND1 HIS A 87 -34.738 -21.730 71.263 1.00 12.64 N ATOM 1333 CD2 HIS A 87 -34.498 -23.499 72.391 1.00 12.67 C ATOM 1334 CE1 HIS A 87 -33.944 -21.507 72.261 1.00 18.52 C ATOM 1335 NE2 HIS A 87 -33.766 -22.581 72.990 1.00 18.56 N ATOM 0 H HIS A 87 -36.597 -24.496 67.369 1.00 3.05 H new ATOM 0 HA HIS A 87 -35.231 -22.290 68.781 1.00 3.71 H new ATOM 0 HB2 HIS A 87 -37.079 -23.190 70.380 1.00 5.10 H new ATOM 0 HB3 HIS A 87 -36.145 -24.672 70.434 1.00 5.10 H new ATOM 0 HD2 HIS A 87 -34.594 -24.523 72.720 1.00 12.67 H new ATOM 0 HE1 HIS A 87 -33.484 -20.552 72.467 1.00 18.52 H new ATOM 0 HE2 HIS A 87 -33.193 -22.683 73.828 1.00 18.56 H new ATOM 1343 N PRO A 88 -33.151 -23.759 68.389 1.00 3.71 N ATOM 1344 CA PRO A 88 -31.985 -24.616 68.049 1.00 3.86 C ATOM 1345 C PRO A 88 -31.578 -25.486 69.246 1.00 3.12 C ATOM 1346 O PRO A 88 -31.044 -24.991 70.219 1.00 4.65 O ATOM 1347 CB PRO A 88 -30.913 -23.623 67.635 1.00 6.06 C ATOM 1348 CG PRO A 88 -31.189 -22.454 68.605 1.00 8.00 C ATOM 1349 CD PRO A 88 -32.727 -22.341 68.579 1.00 6.30 C ATOM 0 HA PRO A 88 -32.187 -25.333 67.253 1.00 3.86 H new ATOM 0 HB2 PRO A 88 -29.909 -24.029 67.756 1.00 6.06 H new ATOM 0 HB3 PRO A 88 -31.012 -23.323 66.592 1.00 6.06 H new ATOM 0 HG2 PRO A 88 -30.816 -22.664 69.607 1.00 8.00 H new ATOM 0 HG3 PRO A 88 -30.710 -21.532 68.274 1.00 8.00 H new ATOM 0 HD2 PRO A 88 -33.119 -21.921 69.505 1.00 6.30 H new ATOM 0 HD3 PRO A 88 -33.073 -21.701 67.767 1.00 6.30 H new ATOM 1357 N GLY A 89 -31.836 -26.769 69.153 1.00 2.99 N ATOM 1358 CA GLY A 89 -31.479 -27.710 70.270 1.00 3.19 C ATOM 1359 C GLY A 89 -32.634 -28.660 70.619 1.00 2.40 C ATOM 1360 O GLY A 89 -32.411 -29.810 70.941 1.00 2.56 O ATOM 0 H GLY A 89 -32.281 -27.210 68.348 1.00 2.99 H new ATOM 0 HA2 GLY A 89 -30.604 -28.294 69.985 1.00 3.19 H new ATOM 0 HA3 GLY A 89 -31.204 -27.134 71.154 1.00 3.19 H new ATOM 1364 N ILE A 90 -33.846 -28.170 70.553 1.00 1.88 N ATOM 1365 CA ILE A 90 -35.050 -29.012 70.877 1.00 1.39 C ATOM 1366 C ILE A 90 -35.757 -29.264 69.555 1.00 1.07 C ATOM 1367 O ILE A 90 -35.945 -30.382 69.118 1.00 1.08 O ATOM 1368 CB ILE A 90 -35.969 -28.229 71.828 1.00 1.39 C ATOM 1369 CG1 ILE A 90 -35.063 -27.615 72.920 1.00 2.00 C ATOM 1370 CG2 ILE A 90 -37.008 -29.197 72.406 1.00 1.21 C ATOM 1371 CD1 ILE A 90 -35.848 -26.970 74.074 1.00 0.00 C ATOM 0 H ILE A 90 -34.060 -27.209 70.285 1.00 1.88 H new ATOM 0 HA ILE A 90 -34.777 -29.950 71.361 1.00 1.39 H new ATOM 0 HB ILE A 90 -36.514 -27.428 71.328 1.00 1.39 H new ATOM 0 HG12 ILE A 90 -34.414 -28.393 73.322 1.00 2.00 H new ATOM 0 HG13 ILE A 90 -34.417 -26.864 72.465 1.00 2.00 H new ATOM 0 HG21 ILE A 90 -37.670 -28.658 73.084 1.00 1.21 H new ATOM 0 HG22 ILE A 90 -37.594 -29.629 71.595 1.00 1.21 H new ATOM 0 HG23 ILE A 90 -36.500 -29.993 72.951 1.00 1.21 H new ATOM 0 HD11 ILE A 90 -35.150 -26.559 74.804 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -36.477 -26.170 73.684 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -36.474 -27.723 74.554 1.00 0.00 H new ATOM 1383 N ILE A 91 -36.127 -28.164 68.963 1.00 1.02 N ATOM 1384 CA ILE A 91 -36.837 -28.167 67.641 1.00 0.89 C ATOM 1385 C ILE A 91 -35.934 -27.420 66.629 1.00 0.99 C ATOM 1386 O ILE A 91 -35.985 -26.210 66.534 1.00 1.24 O ATOM 1387 CB ILE A 91 -38.232 -27.456 67.798 1.00 1.01 C ATOM 1388 CG1 ILE A 91 -39.267 -28.433 68.549 1.00 1.03 C ATOM 1389 CG2 ILE A 91 -38.799 -27.111 66.390 1.00 1.41 C ATOM 1390 CD1 ILE A 91 -39.825 -27.814 69.819 1.00 0.00 C ATOM 0 H ILE A 91 -35.965 -27.233 69.347 1.00 1.02 H new ATOM 0 HA ILE A 91 -37.021 -29.181 67.287 1.00 0.89 H new ATOM 0 HB ILE A 91 -38.101 -26.546 68.383 1.00 1.01 H new ATOM 0 HG12 ILE A 91 -40.088 -28.676 67.875 1.00 1.03 H new ATOM 0 HG13 ILE A 91 -38.767 -29.370 68.793 1.00 1.03 H new ATOM 0 HG21 ILE A 91 -39.765 -26.618 66.498 1.00 1.41 H new ATOM 0 HG22 ILE A 91 -38.108 -26.445 65.873 1.00 1.41 H new ATOM 0 HG23 ILE A 91 -38.921 -28.027 65.812 1.00 1.41 H new ATOM 0 HD11 ILE A 91 -40.518 -28.511 70.289 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -39.008 -27.595 70.506 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -40.350 -26.891 69.574 1.00 0.00 H new ATOM 1402 N PRO A 92 -35.114 -28.144 65.903 1.00 1.04 N ATOM 1403 CA PRO A 92 -34.409 -27.601 64.709 1.00 1.19 C ATOM 1404 C PRO A 92 -35.476 -27.095 63.716 1.00 1.06 C ATOM 1405 O PRO A 92 -36.635 -27.422 63.875 1.00 0.94 O ATOM 1406 CB PRO A 92 -33.581 -28.804 64.218 1.00 1.50 C ATOM 1407 CG PRO A 92 -33.371 -29.632 65.507 1.00 1.58 C ATOM 1408 CD PRO A 92 -34.748 -29.561 66.160 1.00 1.21 C ATOM 0 HA PRO A 92 -33.753 -26.747 64.877 1.00 1.19 H new ATOM 0 HB2 PRO A 92 -34.111 -29.374 63.454 1.00 1.50 H new ATOM 0 HB3 PRO A 92 -32.633 -28.490 63.781 1.00 1.50 H new ATOM 0 HG2 PRO A 92 -33.076 -30.658 65.289 1.00 1.58 H new ATOM 0 HG3 PRO A 92 -32.596 -29.206 66.143 1.00 1.58 H new ATOM 0 HD2 PRO A 92 -35.454 -30.257 65.708 1.00 1.21 H new ATOM 0 HD3 PRO A 92 -34.711 -29.790 67.225 1.00 1.21 H new ATOM 1416 N PRO A 93 -35.100 -26.323 62.724 1.00 1.30 N ATOM 1417 CA PRO A 93 -36.044 -25.912 61.653 1.00 1.43 C ATOM 1418 C PRO A 93 -36.761 -27.142 61.088 1.00 1.21 C ATOM 1419 O PRO A 93 -36.438 -28.242 61.491 1.00 1.43 O ATOM 1420 CB PRO A 93 -35.153 -25.175 60.638 1.00 1.94 C ATOM 1421 CG PRO A 93 -33.735 -25.720 60.955 1.00 1.75 C ATOM 1422 CD PRO A 93 -33.742 -25.772 62.488 1.00 1.67 C ATOM 0 HA PRO A 93 -36.853 -25.261 61.986 1.00 1.43 H new ATOM 0 HB2 PRO A 93 -35.448 -25.391 59.611 1.00 1.94 H new ATOM 0 HB3 PRO A 93 -35.207 -24.094 60.764 1.00 1.94 H new ATOM 0 HG2 PRO A 93 -33.569 -26.703 60.515 1.00 1.75 H new ATOM 0 HG3 PRO A 93 -32.952 -25.064 60.574 1.00 1.75 H new ATOM 0 HD2 PRO A 93 -32.957 -26.415 62.886 1.00 1.67 H new ATOM 0 HD3 PRO A 93 -33.608 -24.789 62.938 1.00 1.67 H new ATOM 1430 N HIS A 94 -37.686 -26.893 60.187 1.00 1.23 N ATOM 1431 CA HIS A 94 -38.505 -27.963 59.512 1.00 1.21 C ATOM 1432 C HIS A 94 -38.333 -29.353 60.128 1.00 0.93 C ATOM 1433 O HIS A 94 -37.841 -30.265 59.495 1.00 1.11 O ATOM 1434 CB HIS A 94 -38.108 -28.024 58.037 1.00 1.71 C ATOM 1435 CG HIS A 94 -38.350 -26.658 57.395 1.00 3.95 C ATOM 1436 ND1 HIS A 94 -37.806 -25.550 57.777 1.00 6.60 N ATOM 1437 CD2 HIS A 94 -39.151 -26.295 56.326 1.00 7.97 C ATOM 1438 CE1 HIS A 94 -38.219 -24.580 57.026 1.00 10.92 C ATOM 1439 NE2 HIS A 94 -39.057 -24.998 56.108 1.00 11.93 N ATOM 0 H HIS A 94 -37.918 -25.949 59.877 1.00 1.23 H new ATOM 0 HA HIS A 94 -39.552 -27.690 59.643 1.00 1.21 H new ATOM 0 HB2 HIS A 94 -37.059 -28.303 57.942 1.00 1.71 H new ATOM 0 HB3 HIS A 94 -38.690 -28.789 57.523 1.00 1.71 H new ATOM 0 HD2 HIS A 94 -39.764 -26.975 55.754 1.00 7.97 H new ATOM 0 HE1 HIS A 94 -37.911 -23.551 57.141 1.00 10.92 H new ATOM 0 HE2 HIS A 94 -39.528 -24.447 55.390 1.00 11.93 H new ATOM 1447 N ALA A 95 -38.748 -29.482 61.363 1.00 0.66 N ATOM 1448 CA ALA A 95 -38.634 -30.787 62.098 1.00 0.58 C ATOM 1449 C ALA A 95 -39.965 -31.416 62.494 1.00 0.54 C ATOM 1450 O ALA A 95 -40.360 -31.326 63.637 1.00 1.50 O ATOM 1451 CB ALA A 95 -37.826 -30.569 63.354 1.00 0.55 C ATOM 0 H ALA A 95 -39.169 -28.727 61.905 1.00 0.66 H new ATOM 0 HA ALA A 95 -38.157 -31.479 61.404 1.00 0.58 H new ATOM 0 HB1 ALA A 95 -37.736 -31.510 63.897 1.00 0.55 H new ATOM 0 HB2 ALA A 95 -36.833 -30.207 63.089 1.00 0.55 H new ATOM 0 HB3 ALA A 95 -38.325 -29.833 63.984 1.00 0.55 H new ATOM 1457 N THR A 96 -40.617 -32.021 61.538 1.00 0.19 N ATOM 1458 CA THR A 96 -41.941 -32.701 61.768 1.00 0.12 C ATOM 1459 C THR A 96 -42.000 -33.303 63.187 1.00 0.12 C ATOM 1460 O THR A 96 -41.105 -34.048 63.536 1.00 0.22 O ATOM 1461 CB THR A 96 -42.084 -33.808 60.723 1.00 0.12 C ATOM 1462 OG1 THR A 96 -42.035 -33.117 59.484 1.00 0.14 O ATOM 1463 CG2 THR A 96 -43.474 -34.451 60.729 1.00 0.12 C ATOM 0 H THR A 96 -40.283 -32.078 60.576 1.00 0.19 H new ATOM 0 HA THR A 96 -42.754 -31.980 61.677 1.00 0.12 H new ATOM 0 HB THR A 96 -41.329 -34.574 60.903 1.00 0.12 H new ATOM 0 HG1 THR A 96 -42.119 -33.759 58.748 1.00 0.14 H new ATOM 0 HG21 THR A 96 -43.518 -35.230 59.967 1.00 0.12 H new ATOM 0 HG22 THR A 96 -43.668 -34.890 61.708 1.00 0.12 H new ATOM 0 HG23 THR A 96 -44.227 -33.692 60.516 1.00 0.12 H new ATOM 1471 N LEU A 97 -42.998 -33.013 63.991 1.00 0.09 N ATOM 1472 CA LEU A 97 -43.044 -33.600 65.359 1.00 0.10 C ATOM 1473 C LEU A 97 -44.057 -34.754 65.315 1.00 0.08 C ATOM 1474 O LEU A 97 -44.966 -34.757 64.508 1.00 0.10 O ATOM 1475 CB LEU A 97 -43.544 -32.551 66.363 1.00 0.12 C ATOM 1476 CG LEU A 97 -42.912 -31.152 66.227 1.00 0.18 C ATOM 1477 CD1 LEU A 97 -43.545 -30.257 67.290 1.00 0.23 C ATOM 1478 CD2 LEU A 97 -41.404 -31.107 66.532 1.00 0.30 C ATOM 0 H LEU A 97 -43.777 -32.398 63.755 1.00 0.09 H new ATOM 0 HA LEU A 97 -42.054 -33.938 65.664 1.00 0.10 H new ATOM 0 HB2 LEU A 97 -44.624 -32.455 66.255 1.00 0.12 H new ATOM 0 HB3 LEU A 97 -43.356 -32.919 67.371 1.00 0.12 H new ATOM 0 HG LEU A 97 -43.075 -30.845 65.194 1.00 0.18 H new ATOM 0 HD11 LEU A 97 -43.120 -29.256 67.223 1.00 0.23 H new ATOM 0 HD12 LEU A 97 -44.622 -30.206 67.128 1.00 0.23 H new ATOM 0 HD13 LEU A 97 -43.346 -30.670 68.279 1.00 0.23 H new ATOM 0 HD21 LEU A 97 -41.039 -30.087 66.413 1.00 0.30 H new ATOM 0 HD22 LEU A 97 -41.230 -31.437 67.556 1.00 0.30 H new ATOM 0 HD23 LEU A 97 -40.874 -31.765 65.843 1.00 0.30 H new ATOM 1490 N VAL A 98 -43.876 -35.711 66.185 1.00 0.08 N ATOM 1491 CA VAL A 98 -44.802 -36.883 66.245 1.00 0.07 C ATOM 1492 C VAL A 98 -45.155 -37.115 67.711 1.00 0.07 C ATOM 1493 O VAL A 98 -44.288 -37.381 68.520 1.00 0.21 O ATOM 1494 CB VAL A 98 -44.105 -38.115 65.679 1.00 0.09 C ATOM 1495 CG1 VAL A 98 -45.085 -39.302 65.720 1.00 0.11 C ATOM 1496 CG2 VAL A 98 -43.733 -37.843 64.220 1.00 0.11 C ATOM 0 H VAL A 98 -43.117 -35.732 66.866 1.00 0.08 H new ATOM 0 HA VAL A 98 -45.702 -36.695 65.660 1.00 0.07 H new ATOM 0 HB VAL A 98 -43.212 -38.341 66.262 1.00 0.09 H new ATOM 0 HG11 VAL A 98 -44.598 -40.190 65.317 1.00 0.11 H new ATOM 0 HG12 VAL A 98 -45.387 -39.489 66.751 1.00 0.11 H new ATOM 0 HG13 VAL A 98 -45.965 -39.068 65.121 1.00 0.11 H new ATOM 0 HG21 VAL A 98 -43.233 -38.717 63.803 1.00 0.11 H new ATOM 0 HG22 VAL A 98 -44.636 -37.634 63.647 1.00 0.11 H new ATOM 0 HG23 VAL A 98 -43.064 -36.984 64.169 1.00 0.11 H new ATOM 1506 N PHE A 99 -46.415 -37.011 68.036 1.00 0.03 N ATOM 1507 CA PHE A 99 -46.843 -37.226 69.456 1.00 0.04 C ATOM 1508 C PHE A 99 -47.650 -38.529 69.551 1.00 0.04 C ATOM 1509 O PHE A 99 -48.212 -39.000 68.584 1.00 0.08 O ATOM 1510 CB PHE A 99 -47.753 -36.094 69.943 1.00 0.06 C ATOM 1511 CG PHE A 99 -46.982 -34.799 70.219 1.00 0.06 C ATOM 1512 CD1 PHE A 99 -46.505 -34.047 69.179 1.00 1.12 C ATOM 1513 CD2 PHE A 99 -46.776 -34.368 71.516 1.00 0.75 C ATOM 1514 CE1 PHE A 99 -45.834 -32.868 69.430 1.00 1.18 C ATOM 1515 CE2 PHE A 99 -46.107 -33.191 71.775 1.00 0.70 C ATOM 1516 CZ PHE A 99 -45.632 -32.436 70.722 1.00 0.08 C ATOM 0 H PHE A 99 -47.168 -36.787 67.385 1.00 0.03 H new ATOM 0 HA PHE A 99 -45.943 -37.263 70.069 1.00 0.04 H new ATOM 0 HB2 PHE A 99 -48.522 -35.903 69.194 1.00 0.06 H new ATOM 0 HB3 PHE A 99 -48.265 -36.409 70.852 1.00 0.06 H new ATOM 0 HD1 PHE A 99 -46.654 -34.377 68.162 1.00 1.12 H new ATOM 0 HD2 PHE A 99 -47.145 -34.962 72.339 1.00 0.75 H new ATOM 0 HE1 PHE A 99 -45.463 -32.278 68.605 1.00 1.18 H new ATOM 0 HE2 PHE A 99 -45.956 -32.863 72.793 1.00 0.70 H new ATOM 0 HZ PHE A 99 -45.105 -31.512 70.910 1.00 0.08 H new ATOM 1526 N ASP A 100 -47.666 -39.059 70.741 1.00 0.02 N ATOM 1527 CA ASP A 100 -48.408 -40.318 71.048 1.00 0.03 C ATOM 1528 C ASP A 100 -49.249 -39.779 72.188 1.00 0.02 C ATOM 1529 O ASP A 100 -48.826 -39.858 73.322 1.00 0.03 O ATOM 1530 CB ASP A 100 -47.463 -41.404 71.541 1.00 0.03 C ATOM 1531 CG ASP A 100 -46.365 -41.632 70.500 1.00 0.20 C ATOM 1532 OD1 ASP A 100 -45.665 -40.669 70.232 1.00 1.32 O ATOM 1533 OD2 ASP A 100 -46.293 -42.757 70.033 1.00 1.74 O ATOM 0 H ASP A 100 -47.179 -38.658 71.543 1.00 0.02 H new ATOM 0 HA ASP A 100 -48.944 -40.780 70.219 1.00 0.03 H new ATOM 0 HB2 ASP A 100 -47.021 -41.112 72.494 1.00 0.03 H new ATOM 0 HB3 ASP A 100 -48.013 -42.329 71.714 1.00 0.03 H new ATOM 1538 N VAL A 101 -50.419 -39.246 71.912 1.00 0.02 N ATOM 1539 CA VAL A 101 -51.254 -38.684 73.033 1.00 0.03 C ATOM 1540 C VAL A 101 -52.428 -39.535 73.461 1.00 0.03 C ATOM 1541 O VAL A 101 -53.044 -40.239 72.686 1.00 0.04 O ATOM 1542 CB VAL A 101 -51.827 -37.316 72.629 1.00 0.04 C ATOM 1543 CG1 VAL A 101 -52.453 -36.598 73.857 1.00 0.05 C ATOM 1544 CG2 VAL A 101 -50.761 -36.487 71.930 1.00 0.04 C ATOM 0 H VAL A 101 -50.828 -39.175 70.980 1.00 0.02 H new ATOM 0 HA VAL A 101 -50.563 -38.631 73.874 1.00 0.03 H new ATOM 0 HB VAL A 101 -52.637 -37.457 71.913 1.00 0.04 H new ATOM 0 HG11 VAL A 101 -52.853 -35.632 73.549 1.00 0.05 H new ATOM 0 HG12 VAL A 101 -53.257 -37.210 74.265 1.00 0.05 H new ATOM 0 HG13 VAL A 101 -51.689 -36.448 74.619 1.00 0.05 H new ATOM 0 HG21 VAL A 101 -51.178 -35.520 71.648 1.00 0.04 H new ATOM 0 HG22 VAL A 101 -49.918 -36.336 72.604 1.00 0.04 H new ATOM 0 HG23 VAL A 101 -50.422 -37.010 71.036 1.00 0.04 H new ATOM 1554 N GLU A 102 -52.684 -39.415 74.734 1.00 0.03 N ATOM 1555 CA GLU A 102 -53.802 -40.144 75.388 1.00 0.03 C ATOM 1556 C GLU A 102 -54.667 -39.089 76.089 1.00 0.04 C ATOM 1557 O GLU A 102 -54.263 -38.570 77.111 1.00 0.06 O ATOM 1558 CB GLU A 102 -53.230 -41.127 76.406 1.00 0.04 C ATOM 1559 CG GLU A 102 -54.391 -41.908 77.031 1.00 0.10 C ATOM 1560 CD GLU A 102 -53.842 -42.920 78.043 1.00 0.22 C ATOM 1561 OE1 GLU A 102 -52.631 -42.947 78.193 1.00 1.73 O ATOM 1562 OE2 GLU A 102 -54.672 -43.610 78.611 1.00 1.38 O ATOM 0 H GLU A 102 -52.146 -38.822 75.366 1.00 0.03 H new ATOM 0 HA GLU A 102 -54.395 -40.707 74.667 1.00 0.03 H new ATOM 0 HB2 GLU A 102 -52.531 -41.809 75.923 1.00 0.04 H new ATOM 0 HB3 GLU A 102 -52.674 -40.594 77.177 1.00 0.04 H new ATOM 0 HG2 GLU A 102 -55.080 -41.223 77.524 1.00 0.10 H new ATOM 0 HG3 GLU A 102 -54.955 -42.424 76.254 1.00 0.10 H new ATOM 1569 N LEU A 103 -55.819 -38.770 75.547 1.00 0.03 N ATOM 1570 CA LEU A 103 -56.669 -37.745 76.237 1.00 0.03 C ATOM 1571 C LEU A 103 -57.207 -38.555 77.398 1.00 0.03 C ATOM 1572 O LEU A 103 -57.852 -39.569 77.211 1.00 0.04 O ATOM 1573 CB LEU A 103 -57.808 -37.264 75.292 1.00 0.02 C ATOM 1574 CG LEU A 103 -58.869 -36.363 76.015 1.00 0.03 C ATOM 1575 CD1 LEU A 103 -58.243 -35.090 76.648 1.00 0.04 C ATOM 1576 CD2 LEU A 103 -59.925 -35.923 74.976 1.00 0.02 C ATOM 0 H LEU A 103 -56.199 -39.160 74.685 1.00 0.03 H new ATOM 0 HA LEU A 103 -56.149 -36.836 76.538 1.00 0.03 H new ATOM 0 HB2 LEU A 103 -57.373 -36.707 74.462 1.00 0.02 H new ATOM 0 HB3 LEU A 103 -58.309 -38.133 74.865 1.00 0.02 H new ATOM 0 HG LEU A 103 -59.309 -36.951 76.821 1.00 0.03 H new ATOM 0 HD11 LEU A 103 -59.023 -34.504 77.134 1.00 0.04 H new ATOM 0 HD12 LEU A 103 -57.494 -35.381 77.385 1.00 0.04 H new ATOM 0 HD13 LEU A 103 -57.772 -34.491 75.869 1.00 0.04 H new ATOM 0 HD21 LEU A 103 -60.672 -35.295 75.461 1.00 0.02 H new ATOM 0 HD22 LEU A 103 -59.439 -35.360 74.179 1.00 0.02 H new ATOM 0 HD23 LEU A 103 -60.410 -36.804 74.554 1.00 0.02 H new ATOM 1588 N LEU A 104 -56.935 -38.081 78.586 1.00 0.04 N ATOM 1589 CA LEU A 104 -57.395 -38.803 79.806 1.00 0.05 C ATOM 1590 C LEU A 104 -58.746 -38.339 80.288 1.00 0.05 C ATOM 1591 O LEU A 104 -59.655 -39.129 80.447 1.00 0.06 O ATOM 1592 CB LEU A 104 -56.359 -38.592 80.909 1.00 0.06 C ATOM 1593 CG LEU A 104 -54.963 -39.037 80.401 1.00 0.11 C ATOM 1594 CD1 LEU A 104 -53.890 -38.395 81.244 1.00 0.17 C ATOM 1595 CD2 LEU A 104 -54.787 -40.562 80.509 1.00 0.34 C ATOM 0 H LEU A 104 -56.413 -37.223 78.763 1.00 0.04 H new ATOM 0 HA LEU A 104 -57.498 -39.858 79.553 1.00 0.05 H new ATOM 0 HB2 LEU A 104 -56.333 -37.542 81.202 1.00 0.06 H new ATOM 0 HB3 LEU A 104 -56.634 -39.164 81.795 1.00 0.06 H new ATOM 0 HG LEU A 104 -54.882 -38.733 79.357 1.00 0.11 H new ATOM 0 HD11 LEU A 104 -52.910 -38.709 80.886 1.00 0.17 H new ATOM 0 HD12 LEU A 104 -53.972 -37.310 81.173 1.00 0.17 H new ATOM 0 HD13 LEU A 104 -54.012 -38.701 82.283 1.00 0.17 H new ATOM 0 HD21 LEU A 104 -53.798 -40.841 80.145 1.00 0.34 H new ATOM 0 HD22 LEU A 104 -54.890 -40.867 81.550 1.00 0.34 H new ATOM 0 HD23 LEU A 104 -55.548 -41.060 79.908 1.00 0.34 H new ATOM 1607 N LYS A 105 -58.867 -37.064 80.515 1.00 0.05 N ATOM 1608 CA LYS A 105 -60.168 -36.546 80.996 1.00 0.07 C ATOM 1609 C LYS A 105 -60.209 -35.027 80.878 1.00 0.06 C ATOM 1610 O LYS A 105 -59.247 -34.405 80.475 1.00 0.06 O ATOM 1611 CB LYS A 105 -60.323 -37.032 82.457 1.00 0.11 C ATOM 1612 CG LYS A 105 -61.746 -36.826 82.992 1.00 1.79 C ATOM 1613 CD LYS A 105 -61.840 -37.534 84.354 1.00 2.05 C ATOM 1614 CE LYS A 105 -63.272 -37.428 84.879 1.00 3.94 C ATOM 1615 NZ LYS A 105 -63.653 -35.998 85.052 1.00 7.50 N ATOM 0 H LYS A 105 -58.131 -36.369 80.390 1.00 0.05 H new ATOM 0 HA LYS A 105 -61.000 -36.914 80.396 1.00 0.07 H new ATOM 0 HB2 LYS A 105 -60.065 -38.089 82.515 1.00 0.11 H new ATOM 0 HB3 LYS A 105 -59.617 -36.497 83.092 1.00 0.11 H new ATOM 0 HG2 LYS A 105 -61.965 -35.763 83.097 1.00 1.79 H new ATOM 0 HG3 LYS A 105 -62.479 -37.235 82.297 1.00 1.79 H new ATOM 0 HD2 LYS A 105 -61.554 -38.581 84.253 1.00 2.05 H new ATOM 0 HD3 LYS A 105 -61.146 -37.080 85.062 1.00 2.05 H new ATOM 0 HE2 LYS A 105 -63.958 -37.913 84.185 1.00 3.94 H new ATOM 0 HE3 LYS A 105 -63.358 -37.952 85.831 1.00 3.94 H new ATOM 0 HZ1 LYS A 105 -64.501 -35.935 85.651 1.00 7.50 H new ATOM 0 HZ2 LYS A 105 -62.871 -35.483 85.504 1.00 7.50 H new ATOM 0 HZ3 LYS A 105 -63.853 -35.577 84.122 1.00 7.50 H new ATOM 1629 N LEU A 106 -61.327 -34.444 81.226 1.00 0.06 N ATOM 1630 CA LEU A 106 -61.465 -32.952 81.151 1.00 0.09 C ATOM 1631 C LEU A 106 -61.581 -32.482 82.603 1.00 0.16 C ATOM 1632 O LEU A 106 -61.959 -33.244 83.471 1.00 0.44 O ATOM 1633 CB LEU A 106 -62.752 -32.562 80.410 1.00 0.11 C ATOM 1634 CG LEU A 106 -62.870 -33.274 79.061 1.00 0.10 C ATOM 1635 CD1 LEU A 106 -64.229 -32.910 78.453 1.00 0.18 C ATOM 1636 CD2 LEU A 106 -61.787 -32.799 78.093 1.00 0.09 C ATOM 0 H LEU A 106 -62.155 -34.936 81.561 1.00 0.06 H new ATOM 0 HA LEU A 106 -60.622 -32.508 80.622 1.00 0.09 H new ATOM 0 HB2 LEU A 106 -63.616 -32.808 81.028 1.00 0.11 H new ATOM 0 HB3 LEU A 106 -62.769 -31.483 80.254 1.00 0.11 H new ATOM 0 HG LEU A 106 -62.763 -34.347 79.218 1.00 0.10 H new ATOM 0 HD11 LEU A 106 -64.340 -33.405 77.488 1.00 0.18 H new ATOM 0 HD12 LEU A 106 -65.026 -33.235 79.122 1.00 0.18 H new ATOM 0 HD13 LEU A 106 -64.289 -31.830 78.316 1.00 0.18 H new ATOM 0 HD21 LEU A 106 -61.894 -33.321 77.142 1.00 0.09 H new ATOM 0 HD22 LEU A 106 -61.889 -31.726 77.931 1.00 0.09 H new ATOM 0 HD23 LEU A 106 -60.804 -33.011 78.514 1.00 0.09 H new ATOM 1648 N GLU A 107 -61.256 -31.239 82.839 1.00 0.15 N ATOM 1649 CA GLU A 107 -61.337 -30.676 84.229 1.00 0.23 C ATOM 1650 C GLU A 107 -61.981 -29.288 84.188 1.00 0.68 C ATOM 1651 O GLU A 107 -63.014 -29.155 84.826 1.00 2.31 O ATOM 1652 CB GLU A 107 -59.921 -30.591 84.807 1.00 0.41 C ATOM 1653 CG GLU A 107 -60.000 -30.046 86.237 1.00 1.19 C ATOM 1654 CD GLU A 107 -58.602 -30.057 86.864 1.00 3.46 C ATOM 1655 OE1 GLU A 107 -57.692 -30.495 86.178 1.00 5.90 O ATOM 1656 OE2 GLU A 107 -58.527 -29.623 88.001 1.00 6.58 O ATOM 1657 OXT GLU A 107 -61.403 -28.446 83.524 1.00 1.72 O ATOM 0 H GLU A 107 -60.935 -30.582 82.128 1.00 0.15 H new ATOM 0 HA GLU A 107 -61.949 -31.321 84.860 1.00 0.23 H new ATOM 0 HB2 GLU A 107 -59.453 -31.575 84.804 1.00 0.41 H new ATOM 0 HB3 GLU A 107 -59.300 -29.941 84.190 1.00 0.41 H new ATOM 0 HG2 GLU A 107 -60.399 -29.032 86.230 1.00 1.19 H new ATOM 0 HG3 GLU A 107 -60.682 -30.653 86.832 1.00 1.19 H new TER 1664 GLU A 107 END