USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 558 hydrogens (0 hets) HEADER PHOSPHORIC DIESTER HYDROLASE 13-JUN-94 1HSQ TITLE SOLUTION STRUCTURE OF THE SH3 DOMAIN OF PHOSPHOLIPASE CGAMMA COMPND MOL_ID: 1; COMPND 2 MOLECULE: PHOSPHOLIPASE C-GAMMA (SH3 DOMAIN); COMPND 3 CHAIN: A; COMPND 4 EC: 3.1.4.11; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 GENE: GRB2 KEYWDS PHOSPHORIC DIESTER HYDROLASE EXPDTA SOLUTION NMR AUTHOR D.KOHDA,H.HATANAKA,M.ODAKA,F.INAGAKI REVDAT 3 24-FEB-09 1HSQ 1 VERSN REVDAT 2 01-APR-03 1HSQ 1 JRNL REVDAT 1 31-AUG-94 1HSQ 0 JRNL AUTH D.KOHDA,H.HATANAKA,M.ODAKA,V.MANDIYAN,A.ULLRICH, JRNL AUTH 2 J.SCHLESSINGER,F.INAGAKI JRNL TITL SOLUTION STRUCTURE OF THE SH3 DOMAIN OF JRNL TITL 2 PHOSPHOLIPASE C-GAMMA. JRNL REF CELL(CAMBRIDGE,MASS.) V. 72 953 1993 JRNL REFN ISSN 0092-8674 JRNL PMID 7681365 JRNL DOI 10.1016/0092-8674(93)90583-C REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH D.KOHDA,H.TERASAWA,S.ICHIKAWA,K.OGURA,H.HATANAKA, REMARK 1 AUTH 2 V.MANDIYAN,A.ULLRICH,J.SCHLESSINGER,F.INAGAKI REMARK 1 TITL SOLUTION STRUCTURE AND LIGAND-BINDING SITE OF THE REMARK 1 TITL 2 C-TERMINAL SH3 DOMAIN OF GRB2 REMARK 1 REF STRUCTURE V. 2 1029 1994 REMARK 1 REFN ISSN 0969-2126 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : DSPACE, X-PLOR REMARK 3 AUTHORS : NILGES (DSPACE), BRUNGER (X-PLOR) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1HSQ 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 LENGTHS 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,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) 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 RES CSSEQI ATM2 DEVIATION REMARK 500 TRP A 42 CG TRP A 42 CD2 -0.107 REMARK 500 TRP A 53 CG TRP A 53 CD2 -0.105 REMARK 500 HIS A 69 CG HIS A 69 ND1 -0.102 REMARK 500 REMARK 500 REMARK: NULL 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 41 CG - CD1 - NE1 ANGL. DEV. = -6.0 DEGREES REMARK 500 TRP A 41 CD1 - NE1 - CE2 ANGL. DEV. = 6.3 DEGREES REMARK 500 TRP A 41 NE1 - CE2 - CZ2 ANGL. DEV. = 8.5 DEGREES REMARK 500 TRP A 41 NE1 - CE2 - CD2 ANGL. DEV. = -6.5 DEGREES REMARK 500 TRP A 42 CG - CD1 - NE1 ANGL. DEV. = -7.2 DEGREES REMARK 500 TRP A 42 CD1 - NE1 - CE2 ANGL. DEV. = 6.8 DEGREES REMARK 500 TRP A 42 NE1 - CE2 - CZ2 ANGL. DEV. = 7.0 DEGREES REMARK 500 TRP A 53 CG - CD1 - NE1 ANGL. DEV. = -6.9 DEGREES REMARK 500 TRP A 53 CD1 - NE1 - CE2 ANGL. DEV. = 6.1 DEGREES REMARK 500 TRP A 53 NE1 - CE2 - CZ2 ANGL. DEV. = 9.2 DEGREES REMARK 500 TRP A 53 NE1 - CE2 - CD2 ANGL. DEV. = -6.6 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 SER A 2 68.20 -159.76 REMARK 500 PHE A 5 -162.09 -77.21 REMARK 500 LYS A 6 167.74 53.54 REMARK 500 ALA A 11 115.83 -34.85 REMARK 500 LYS A 16 58.68 -149.31 REMARK 500 GLN A 18 -36.96 71.46 REMARK 500 ARG A 19 76.84 -173.06 REMARK 500 GLU A 20 46.89 -153.02 REMARK 500 GLU A 22 153.00 175.36 REMARK 500 SER A 28 -12.11 105.16 REMARK 500 ASN A 33 96.23 55.59 REMARK 500 GLU A 35 106.52 -179.15 REMARK 500 LYS A 36 158.71 -43.80 REMARK 500 GLU A 38 16.11 46.68 REMARK 500 TYR A 46 45.98 -169.45 REMARK 500 GLN A 51 80.14 75.56 REMARK 500 LEU A 52 -115.06 -104.67 REMARK 500 GLU A 60 131.76 -173.09 REMARK 500 GLU A 61 74.59 -59.57 REMARK 500 MET A 62 101.59 33.82 REMARK 500 VAL A 63 27.10 -73.37 REMARK 500 PRO A 65 -145.04 -59.01 REMARK 500 GLU A 66 143.89 58.60 REMARK 500 ARG A 70 -132.77 -73.68 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 19 0.14 SIDE_CHAIN REMARK 500 ARG A 43 0.19 SIDE_CHAIN REMARK 500 ARG A 70 0.28 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 2HSP RELATED DB: PDB DBREF 1HSQ A 3 64 UNP P19174 PLCG1_HUMAN 790 851 SEQRES 1 A 71 GLY SER PRO THR PHE LYS CYS ALA VAL LYS ALA LEU PHE SEQRES 2 A 71 ASP TYR LYS ALA GLN ARG GLU ASP GLU LEU THR PHE ILE SEQRES 3 A 71 LYS SER ALA ILE ILE GLN ASN VAL GLU LYS GLN GLU GLY SEQRES 4 A 71 GLY TRP TRP ARG GLY ASP TYR GLY GLY LYS LYS GLN LEU SEQRES 5 A 71 TRP PHE PRO SER ASN TYR VAL GLU GLU MET VAL ASN PRO SEQRES 6 A 71 GLU GLY ILE HIS ARG ASP HELIX 1 GH SER A 56 TYR A 58 53/10 HELIX 3 SHEET 1 B1 3 ALA A 29 GLN A 32 0 SHEET 2 B1 3 CYS A 7 ALA A 11 -1 O VAL A 9 N ILE A 31 SHEET 3 B1 3 VAL A 59 MET A 62 -1 O GLU A 60 N LYS A 10 SHEET 1 B2 2 PHE A 13 LYS A 16 0 SHEET 2 B2 2 THR A 24 ILE A 26 -1 O PHE A 25 N TYR A 15 SHEET 1 B3A 3 VAL A 34 LYS A 36 0 SHEET 2 B3A 3 TRP A 41 TYR A 46 -1 O ARG A 43 N GLU A 35 SHEET 3 B3A 3 LYS A 49 LYS A 50 -1 O LYS A 49 N TYR A 46 SHEET 1 B3B 3 VAL A 34 LYS A 36 0 SHEET 2 B3B 3 TRP A 41 TYR A 46 -1 O ARG A 43 N GLU A 35 SHEET 3 B3B 3 LEU A 52 PRO A 55 -1 O PHE A 54 N TRP A 42 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -49:sc= 0.158! USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -156:sc= -0.115 (180deg=-0.637) USER MOD Single : A 7 CYS SG : rot -85:sc= -0.603! USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot -27:sc= -1.79! USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 THR OG1 : rot -64:sc= 0.417 USER MOD Single : A 27 LYS NZ :NH3+ -149:sc= -0.206 (180deg=-1.17) USER MOD Single : A 28 SER OG : rot -37:sc= 0.381 USER MOD Single : A 32 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 36 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0164) USER MOD Single : A 37 GLN : amide:sc= -0.348 K(o=-0.35,f=-2.2!) USER MOD Single : A 46 TYR OH : rot 180:sc= -0.188 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.00383) USER MOD Single : A 51 GLN : amide:sc= -1.54 K(o=-1.5,f=-0.074) USER MOD Single : A 56 SER OG : rot 154:sc= -0.689 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl 141:sc=-0.00214 (180deg=-0.678) USER MOD Single : A 64 ASN : amide:sc= -1.38 K(o=-1.4,f=-3.5!) USER MOD Single : A 69 HIS : no HD1:sc= -0.387 X(o=-0.39,f=-0.53) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.143 0.012 -0.161 1.00 23.60 N ATOM 2 CA GLY A 1 0.600 -1.312 -0.669 1.00 23.06 C ATOM 3 C GLY A 1 1.223 -1.151 -2.057 1.00 21.50 C ATOM 4 O GLY A 1 2.342 -0.696 -2.189 1.00 21.76 O ATOM 0 H1 GLY A 1 -0.279 -0.105 0.782 1.00 23.60 H new ATOM 0 H2 GLY A 1 0.955 0.659 -0.099 1.00 23.60 H new ATOM 0 H3 GLY A 1 -0.566 0.407 -0.811 1.00 23.60 H new ATOM 0 HA2 GLY A 1 1.328 -1.743 0.018 1.00 23.06 H new ATOM 0 HA3 GLY A 1 -0.242 -2.003 -0.717 1.00 23.06 H new ATOM 10 N SER A 2 0.485 -1.530 -3.064 1.00 20.06 N ATOM 11 CA SER A 2 1.017 -1.408 -4.447 1.00 18.61 C ATOM 12 C SER A 2 -0.119 -1.417 -5.474 1.00 16.94 C ATOM 13 O SER A 2 -0.257 -2.351 -6.239 1.00 16.25 O ATOM 14 CB SER A 2 1.922 -2.617 -4.716 1.00 18.89 C ATOM 15 OG SER A 2 2.690 -2.750 -3.528 1.00 19.98 O ATOM 0 H SER A 2 -0.456 -1.916 -2.989 1.00 20.06 H new ATOM 0 HA SER A 2 1.563 -0.469 -4.537 1.00 18.61 H new ATOM 0 HB2 SER A 2 1.338 -3.515 -4.915 1.00 18.89 H new ATOM 0 HB3 SER A 2 2.559 -2.452 -5.585 1.00 18.89 H new ATOM 0 HG SER A 2 3.068 -1.879 -3.284 1.00 19.98 H new ATOM 21 N PRO A 3 -0.913 -0.371 -5.472 1.00 16.52 N ATOM 22 CA PRO A 3 -2.042 -0.259 -6.409 1.00 15.13 C ATOM 23 C PRO A 3 -1.563 -0.253 -7.860 1.00 13.52 C ATOM 24 O PRO A 3 -0.816 0.615 -8.265 1.00 13.42 O ATOM 25 CB PRO A 3 -2.702 1.088 -6.069 1.00 15.58 C ATOM 26 CG PRO A 3 -1.940 1.696 -4.865 1.00 17.16 C ATOM 27 CD PRO A 3 -0.755 0.773 -4.549 1.00 17.65 C ATOM 0 HA PRO A 3 -2.726 -1.102 -6.313 1.00 15.13 H new ATOM 0 HB2 PRO A 3 -2.662 1.760 -6.926 1.00 15.58 H new ATOM 0 HB3 PRO A 3 -3.755 0.947 -5.824 1.00 15.58 H new ATOM 0 HG2 PRO A 3 -1.590 2.701 -5.102 1.00 17.16 H new ATOM 0 HG3 PRO A 3 -2.598 1.783 -4.000 1.00 17.16 H new ATOM 0 HD2 PRO A 3 0.196 1.281 -4.708 1.00 17.65 H new ATOM 0 HD3 PRO A 3 -0.773 0.448 -3.509 1.00 17.65 H new ATOM 35 N THR A 4 -2.008 -1.229 -8.609 1.00 12.56 N ATOM 36 CA THR A 4 -1.601 -1.314 -10.038 1.00 11.16 C ATOM 37 C THR A 4 -2.809 -1.612 -10.924 1.00 9.17 C ATOM 38 O THR A 4 -3.937 -1.551 -10.478 1.00 9.18 O ATOM 39 CB THR A 4 -0.584 -2.452 -10.177 1.00 11.84 C ATOM 40 OG1 THR A 4 -0.632 -3.148 -8.944 1.00 13.23 O ATOM 41 CG2 THR A 4 0.844 -1.901 -10.251 1.00 13.04 C ATOM 0 H THR A 4 -2.635 -1.968 -8.291 1.00 12.56 H new ATOM 0 HA THR A 4 -1.168 -0.364 -10.350 1.00 11.16 H new ATOM 0 HB THR A 4 -0.811 -3.045 -11.063 1.00 11.84 H new ATOM 0 HG1 THR A 4 -0.000 -3.897 -8.966 1.00 13.23 H new ATOM 0 HG21 THR A 4 1.548 -2.727 -10.349 1.00 13.04 H new ATOM 0 HG22 THR A 4 0.935 -1.242 -11.114 1.00 13.04 H new ATOM 0 HG23 THR A 4 1.066 -1.342 -9.342 1.00 13.04 H new ATOM 49 N PHE A 5 -2.552 -1.927 -12.165 1.00 7.97 N ATOM 50 CA PHE A 5 -3.677 -2.229 -13.088 1.00 6.31 C ATOM 51 C PHE A 5 -4.231 -3.633 -12.841 1.00 5.19 C ATOM 52 O PHE A 5 -3.993 -4.223 -11.806 1.00 6.02 O ATOM 53 CB PHE A 5 -3.153 -2.144 -14.527 1.00 6.88 C ATOM 54 CG PHE A 5 -4.097 -1.270 -15.354 1.00 6.81 C ATOM 55 CD1 PHE A 5 -4.087 0.105 -15.210 1.00 7.17 C ATOM 56 CD2 PHE A 5 -4.976 -1.845 -16.254 1.00 6.92 C ATOM 57 CE1 PHE A 5 -4.943 0.892 -15.953 1.00 7.64 C ATOM 58 CE2 PHE A 5 -5.832 -1.058 -16.996 1.00 7.46 C ATOM 59 CZ PHE A 5 -5.815 0.311 -16.846 1.00 7.84 C ATOM 0 H PHE A 5 -1.620 -1.987 -12.574 1.00 7.97 H new ATOM 0 HA PHE A 5 -4.479 -1.511 -12.918 1.00 6.31 H new ATOM 0 HB2 PHE A 5 -2.147 -1.724 -14.536 1.00 6.88 H new ATOM 0 HB3 PHE A 5 -3.086 -3.141 -14.962 1.00 6.88 H new ATOM 0 HD1 PHE A 5 -3.405 0.566 -14.511 1.00 7.17 H new ATOM 0 HD2 PHE A 5 -4.992 -2.918 -16.377 1.00 6.92 H new ATOM 0 HE1 PHE A 5 -4.929 1.965 -15.834 1.00 7.64 H new ATOM 0 HE2 PHE A 5 -6.516 -1.516 -17.695 1.00 7.46 H new ATOM 0 HZ PHE A 5 -6.484 0.927 -17.428 1.00 7.84 H new ATOM 69 N LYS A 6 -4.957 -4.142 -13.804 1.00 3.70 N ATOM 70 CA LYS A 6 -5.542 -5.506 -13.653 1.00 2.51 C ATOM 71 C LYS A 6 -6.347 -5.611 -12.358 1.00 1.88 C ATOM 72 O LYS A 6 -6.272 -4.749 -11.506 1.00 2.30 O ATOM 73 CB LYS A 6 -4.402 -6.541 -13.605 1.00 2.48 C ATOM 74 CG LYS A 6 -4.067 -7.010 -15.025 1.00 2.81 C ATOM 75 CD LYS A 6 -3.461 -5.846 -15.811 1.00 3.25 C ATOM 76 CE LYS A 6 -2.924 -6.368 -17.145 1.00 3.73 C ATOM 77 NZ LYS A 6 -1.793 -7.310 -16.917 1.00 4.59 N ATOM 0 H LYS A 6 -5.169 -3.673 -14.685 1.00 3.70 H new ATOM 0 HA LYS A 6 -6.202 -5.695 -14.500 1.00 2.51 H new ATOM 0 HB2 LYS A 6 -3.520 -6.102 -13.139 1.00 2.48 H new ATOM 0 HB3 LYS A 6 -4.697 -7.392 -12.991 1.00 2.48 H new ATOM 0 HG2 LYS A 6 -3.366 -7.844 -14.989 1.00 2.81 H new ATOM 0 HG3 LYS A 6 -4.967 -7.371 -15.523 1.00 2.81 H new ATOM 0 HD2 LYS A 6 -4.214 -5.077 -15.984 1.00 3.25 H new ATOM 0 HD3 LYS A 6 -2.658 -5.383 -15.238 1.00 3.25 H new ATOM 0 HE2 LYS A 6 -3.720 -6.872 -17.693 1.00 3.73 H new ATOM 0 HE3 LYS A 6 -2.592 -5.533 -17.762 1.00 3.73 H new ATOM 0 HZ1 LYS A 6 -1.190 -7.340 -17.764 1.00 4.59 H new ATOM 0 HZ2 LYS A 6 -1.231 -6.987 -16.103 1.00 4.59 H new ATOM 0 HZ3 LYS A 6 -2.167 -8.261 -16.724 1.00 4.59 H new ATOM 91 N CYS A 7 -7.106 -6.667 -12.236 1.00 1.09 N ATOM 92 CA CYS A 7 -7.918 -6.838 -11.004 1.00 0.72 C ATOM 93 C CYS A 7 -7.101 -7.551 -9.934 1.00 0.62 C ATOM 94 O CYS A 7 -6.878 -8.743 -10.018 1.00 0.89 O ATOM 95 CB CYS A 7 -9.144 -7.693 -11.345 1.00 1.17 C ATOM 96 SG CYS A 7 -10.567 -7.585 -10.233 1.00 2.11 S ATOM 0 H CYS A 7 -7.197 -7.409 -12.930 1.00 1.09 H new ATOM 0 HA CYS A 7 -8.222 -5.861 -10.629 1.00 0.72 H new ATOM 0 HB2 CYS A 7 -9.477 -7.420 -12.346 1.00 1.17 H new ATOM 0 HB3 CYS A 7 -8.827 -8.735 -11.387 1.00 1.17 H new ATOM 0 HG CYS A 7 -10.399 -8.398 -9.233 1.00 2.11 H new ATOM 102 N ALA A 8 -6.675 -6.804 -8.948 1.00 0.54 N ATOM 103 CA ALA A 8 -5.866 -7.414 -7.858 1.00 0.42 C ATOM 104 C ALA A 8 -6.626 -7.455 -6.536 1.00 0.36 C ATOM 105 O ALA A 8 -7.720 -6.938 -6.422 1.00 0.51 O ATOM 106 CB ALA A 8 -4.609 -6.558 -7.669 1.00 0.54 C ATOM 0 H ALA A 8 -6.852 -5.804 -8.853 1.00 0.54 H new ATOM 0 HA ALA A 8 -5.625 -8.439 -8.138 1.00 0.42 H new ATOM 0 HB1 ALA A 8 -3.996 -6.983 -6.874 1.00 0.54 H new ATOM 0 HB2 ALA A 8 -4.038 -6.540 -8.597 1.00 0.54 H new ATOM 0 HB3 ALA A 8 -4.898 -5.542 -7.401 1.00 0.54 H new ATOM 112 N VAL A 9 -6.018 -8.076 -5.562 1.00 0.26 N ATOM 113 CA VAL A 9 -6.659 -8.179 -4.234 1.00 0.28 C ATOM 114 C VAL A 9 -5.607 -8.042 -3.145 1.00 0.29 C ATOM 115 O VAL A 9 -4.462 -7.734 -3.408 1.00 0.43 O ATOM 116 CB VAL A 9 -7.330 -9.569 -4.098 1.00 0.35 C ATOM 117 CG1 VAL A 9 -7.820 -10.044 -5.464 1.00 1.15 C ATOM 118 CG2 VAL A 9 -6.337 -10.607 -3.544 1.00 1.31 C ATOM 0 H VAL A 9 -5.101 -8.516 -5.636 1.00 0.26 H new ATOM 0 HA VAL A 9 -7.402 -7.388 -4.133 1.00 0.28 H new ATOM 0 HB VAL A 9 -8.169 -9.471 -3.409 1.00 0.35 H new ATOM 0 HG11 VAL A 9 -8.291 -11.022 -5.362 1.00 1.15 H new ATOM 0 HG12 VAL A 9 -8.545 -9.332 -5.858 1.00 1.15 H new ATOM 0 HG13 VAL A 9 -6.975 -10.118 -6.148 1.00 1.15 H new ATOM 0 HG21 VAL A 9 -6.832 -11.574 -3.458 1.00 1.31 H new ATOM 0 HG22 VAL A 9 -5.486 -10.694 -4.220 1.00 1.31 H new ATOM 0 HG23 VAL A 9 -5.989 -10.289 -2.561 1.00 1.31 H new ATOM 128 N LYS A 10 -6.024 -8.274 -1.947 1.00 0.27 N ATOM 129 CA LYS A 10 -5.088 -8.176 -0.808 1.00 0.25 C ATOM 130 C LYS A 10 -5.471 -9.234 0.230 1.00 0.24 C ATOM 131 O LYS A 10 -6.229 -8.960 1.139 1.00 0.27 O ATOM 132 CB LYS A 10 -5.216 -6.781 -0.186 1.00 0.29 C ATOM 133 CG LYS A 10 -4.001 -6.523 0.703 1.00 0.40 C ATOM 134 CD LYS A 10 -4.242 -5.256 1.526 1.00 0.94 C ATOM 135 CE LYS A 10 -2.979 -4.394 1.499 1.00 1.11 C ATOM 136 NZ LYS A 10 -3.118 -3.241 2.431 1.00 1.80 N ATOM 0 H LYS A 10 -6.981 -8.530 -1.703 1.00 0.27 H new ATOM 0 HA LYS A 10 -4.062 -8.338 -1.140 1.00 0.25 H new ATOM 0 HB2 LYS A 10 -5.279 -6.024 -0.968 1.00 0.29 H new ATOM 0 HB3 LYS A 10 -6.133 -6.712 0.399 1.00 0.29 H new ATOM 0 HG2 LYS A 10 -3.831 -7.373 1.363 1.00 0.40 H new ATOM 0 HG3 LYS A 10 -3.105 -6.410 0.092 1.00 0.40 H new ATOM 0 HD2 LYS A 10 -5.086 -4.699 1.120 1.00 0.94 H new ATOM 0 HD3 LYS A 10 -4.497 -5.518 2.553 1.00 0.94 H new ATOM 0 HE2 LYS A 10 -2.115 -4.995 1.780 1.00 1.11 H new ATOM 0 HE3 LYS A 10 -2.800 -4.032 0.487 1.00 1.11 H new ATOM 0 HZ1 LYS A 10 -2.253 -2.665 2.402 1.00 1.80 H new ATOM 0 HZ2 LYS A 10 -3.931 -2.659 2.145 1.00 1.80 H new ATOM 0 HZ3 LYS A 10 -3.267 -3.593 3.398 1.00 1.80 H new ATOM 150 N ALA A 11 -4.948 -10.426 0.056 1.00 0.21 N ATOM 151 CA ALA A 11 -5.259 -11.534 1.010 1.00 0.21 C ATOM 152 C ALA A 11 -5.418 -11.023 2.429 1.00 0.21 C ATOM 153 O ALA A 11 -4.491 -10.514 3.028 1.00 0.24 O ATOM 154 CB ALA A 11 -4.113 -12.544 0.966 1.00 0.22 C ATOM 0 H ALA A 11 -4.319 -10.677 -0.707 1.00 0.21 H new ATOM 0 HA ALA A 11 -6.201 -11.995 0.713 1.00 0.21 H new ATOM 0 HB1 ALA A 11 -4.322 -13.361 1.656 1.00 0.22 H new ATOM 0 HB2 ALA A 11 -4.015 -12.939 -0.045 1.00 0.22 H new ATOM 0 HB3 ALA A 11 -3.184 -12.053 1.255 1.00 0.22 H new ATOM 160 N LEU A 12 -6.606 -11.171 2.934 1.00 0.23 N ATOM 161 CA LEU A 12 -6.879 -10.708 4.310 1.00 0.25 C ATOM 162 C LEU A 12 -6.369 -11.719 5.330 1.00 0.29 C ATOM 163 O LEU A 12 -6.014 -11.354 6.432 1.00 0.42 O ATOM 164 CB LEU A 12 -8.398 -10.561 4.483 1.00 0.29 C ATOM 165 CG LEU A 12 -9.019 -9.828 3.280 1.00 0.31 C ATOM 166 CD1 LEU A 12 -10.543 -9.911 3.419 1.00 0.49 C ATOM 167 CD2 LEU A 12 -8.587 -8.356 3.296 1.00 0.43 C ATOM 0 H LEU A 12 -7.398 -11.593 2.450 1.00 0.23 H new ATOM 0 HA LEU A 12 -6.372 -9.757 4.471 1.00 0.25 H new ATOM 0 HB2 LEU A 12 -8.853 -11.546 4.588 1.00 0.29 H new ATOM 0 HB3 LEU A 12 -8.612 -10.011 5.399 1.00 0.29 H new ATOM 0 HG LEU A 12 -8.691 -10.283 2.345 1.00 0.31 H new ATOM 0 HD11 LEU A 12 -11.013 -9.399 2.579 1.00 0.49 H new ATOM 0 HD12 LEU A 12 -10.851 -10.956 3.426 1.00 0.49 H new ATOM 0 HD13 LEU A 12 -10.850 -9.436 4.351 1.00 0.49 H new ATOM 0 HD21 LEU A 12 -9.027 -7.838 2.444 1.00 0.43 H new ATOM 0 HD22 LEU A 12 -8.926 -7.887 4.220 1.00 0.43 H new ATOM 0 HD23 LEU A 12 -7.500 -8.295 3.236 1.00 0.43 H new ATOM 179 N PHE A 13 -6.330 -12.968 4.934 1.00 0.31 N ATOM 180 CA PHE A 13 -5.843 -14.025 5.875 1.00 0.43 C ATOM 181 C PHE A 13 -4.593 -14.701 5.324 1.00 0.46 C ATOM 182 O PHE A 13 -4.024 -14.252 4.349 1.00 0.90 O ATOM 183 CB PHE A 13 -6.933 -15.097 6.058 1.00 0.54 C ATOM 184 CG PHE A 13 -8.306 -14.456 6.310 1.00 0.47 C ATOM 185 CD1 PHE A 13 -8.435 -13.270 7.017 1.00 0.58 C ATOM 186 CD2 PHE A 13 -9.449 -15.071 5.828 1.00 0.63 C ATOM 187 CE1 PHE A 13 -9.676 -12.715 7.229 1.00 0.65 C ATOM 188 CE2 PHE A 13 -10.691 -14.512 6.043 1.00 0.82 C ATOM 189 CZ PHE A 13 -10.804 -13.333 6.744 1.00 0.77 C ATOM 0 H PHE A 13 -6.611 -13.299 4.011 1.00 0.31 H new ATOM 0 HA PHE A 13 -5.610 -13.551 6.828 1.00 0.43 H new ATOM 0 HB2 PHE A 13 -6.980 -15.727 5.170 1.00 0.54 H new ATOM 0 HB3 PHE A 13 -6.672 -15.745 6.895 1.00 0.54 H new ATOM 0 HD1 PHE A 13 -7.555 -12.778 7.404 1.00 0.58 H new ATOM 0 HD2 PHE A 13 -9.367 -15.997 5.279 1.00 0.63 H new ATOM 0 HE1 PHE A 13 -9.764 -11.790 7.779 1.00 0.65 H new ATOM 0 HE2 PHE A 13 -11.576 -15.000 5.661 1.00 0.82 H new ATOM 0 HZ PHE A 13 -11.776 -12.894 6.913 1.00 0.77 H new ATOM 199 N ASP A 14 -4.193 -15.769 5.969 1.00 0.31 N ATOM 200 CA ASP A 14 -2.978 -16.500 5.510 1.00 0.32 C ATOM 201 C ASP A 14 -3.309 -17.885 4.950 1.00 0.30 C ATOM 202 O ASP A 14 -4.224 -18.543 5.402 1.00 0.43 O ATOM 203 CB ASP A 14 -2.046 -16.678 6.714 1.00 0.41 C ATOM 204 CG ASP A 14 -2.856 -16.549 8.005 1.00 1.37 C ATOM 205 OD1 ASP A 14 -3.160 -15.417 8.343 1.00 2.55 O ATOM 206 OD2 ASP A 14 -3.127 -17.591 8.579 1.00 1.96 O ATOM 0 H ASP A 14 -4.654 -16.163 6.789 1.00 0.31 H new ATOM 0 HA ASP A 14 -2.514 -15.919 4.713 1.00 0.32 H new ATOM 0 HB2 ASP A 14 -1.561 -17.653 6.672 1.00 0.41 H new ATOM 0 HB3 ASP A 14 -1.256 -15.928 6.691 1.00 0.41 H new ATOM 211 N TYR A 15 -2.536 -18.290 3.974 1.00 0.28 N ATOM 212 CA TYR A 15 -2.748 -19.623 3.339 1.00 0.26 C ATOM 213 C TYR A 15 -1.473 -20.459 3.450 1.00 0.28 C ATOM 214 O TYR A 15 -0.447 -19.965 3.874 1.00 0.31 O ATOM 215 CB TYR A 15 -3.055 -19.400 1.852 1.00 0.22 C ATOM 216 CG TYR A 15 -3.798 -20.611 1.302 1.00 0.23 C ATOM 217 CD1 TYR A 15 -3.105 -21.737 0.931 1.00 0.25 C ATOM 218 CD2 TYR A 15 -5.171 -20.631 1.271 1.00 0.25 C ATOM 219 CE1 TYR A 15 -3.754 -22.871 0.559 1.00 0.27 C ATOM 220 CE2 TYR A 15 -5.843 -21.777 0.886 1.00 0.27 C ATOM 221 CZ TYR A 15 -5.135 -22.913 0.531 1.00 0.28 C ATOM 222 OH TYR A 15 -5.795 -24.078 0.202 1.00 0.32 O ATOM 0 H TYR A 15 -1.762 -17.749 3.588 1.00 0.28 H new ATOM 0 HA TYR A 15 -3.567 -20.142 3.836 1.00 0.26 H new ATOM 0 HB2 TYR A 15 -3.658 -18.501 1.725 1.00 0.22 H new ATOM 0 HB3 TYR A 15 -2.130 -19.245 1.298 1.00 0.22 H new ATOM 0 HD1 TYR A 15 -2.025 -21.721 0.935 1.00 0.25 H new ATOM 0 HD2 TYR A 15 -5.728 -19.748 1.548 1.00 0.25 H new ATOM 0 HE1 TYR A 15 -3.186 -23.747 0.283 1.00 0.27 H new ATOM 0 HE2 TYR A 15 -6.923 -21.786 0.862 1.00 0.27 H new ATOM 0 HH TYR A 15 -5.224 -24.625 -0.377 1.00 0.32 H new ATOM 232 N LYS A 16 -1.552 -21.708 3.074 1.00 0.29 N ATOM 233 CA LYS A 16 -0.336 -22.561 3.162 1.00 0.32 C ATOM 234 C LYS A 16 -0.263 -23.669 2.099 1.00 0.30 C ATOM 235 O LYS A 16 -0.183 -24.836 2.430 1.00 0.38 O ATOM 236 CB LYS A 16 -0.290 -23.204 4.552 1.00 0.42 C ATOM 237 CG LYS A 16 1.165 -23.529 4.896 1.00 1.24 C ATOM 238 CD LYS A 16 1.208 -24.371 6.173 1.00 1.59 C ATOM 239 CE LYS A 16 2.382 -23.906 7.039 1.00 2.38 C ATOM 240 NZ LYS A 16 2.521 -24.772 8.244 1.00 3.29 N ATOM 0 H LYS A 16 -2.390 -22.166 2.716 1.00 0.29 H new ATOM 0 HA LYS A 16 0.517 -21.907 2.981 1.00 0.32 H new ATOM 0 HB2 LYS A 16 -0.712 -22.527 5.295 1.00 0.42 H new ATOM 0 HB3 LYS A 16 -0.894 -24.111 4.568 1.00 0.42 H new ATOM 0 HG2 LYS A 16 1.633 -24.071 4.074 1.00 1.24 H new ATOM 0 HG3 LYS A 16 1.732 -22.609 5.035 1.00 1.24 H new ATOM 0 HD2 LYS A 16 0.272 -24.270 6.722 1.00 1.59 H new ATOM 0 HD3 LYS A 16 1.319 -25.426 5.924 1.00 1.59 H new ATOM 0 HE2 LYS A 16 3.303 -23.933 6.457 1.00 2.38 H new ATOM 0 HE3 LYS A 16 2.228 -22.871 7.344 1.00 2.38 H new ATOM 0 HZ1 LYS A 16 3.322 -24.441 8.819 1.00 3.29 H new ATOM 0 HZ2 LYS A 16 1.648 -24.726 8.807 1.00 3.29 H new ATOM 0 HZ3 LYS A 16 2.690 -25.755 7.948 1.00 3.29 H new ATOM 254 N ALA A 17 -0.286 -23.282 0.843 1.00 0.29 N ATOM 255 CA ALA A 17 -0.207 -24.302 -0.249 1.00 0.31 C ATOM 256 C ALA A 17 1.164 -24.201 -0.859 1.00 0.34 C ATOM 257 O ALA A 17 1.829 -25.181 -1.124 1.00 0.41 O ATOM 258 CB ALA A 17 -1.199 -24.006 -1.374 1.00 0.32 C ATOM 0 H ALA A 17 -0.355 -22.313 0.531 1.00 0.29 H new ATOM 0 HA ALA A 17 -0.425 -25.281 0.179 1.00 0.31 H new ATOM 0 HB1 ALA A 17 -1.110 -24.769 -2.147 1.00 0.32 H new ATOM 0 HB2 ALA A 17 -2.213 -24.010 -0.975 1.00 0.32 H new ATOM 0 HB3 ALA A 17 -0.981 -23.028 -1.803 1.00 0.32 H new ATOM 264 N GLN A 18 1.511 -22.967 -1.073 1.00 0.36 N ATOM 265 CA GLN A 18 2.831 -22.605 -1.671 1.00 0.42 C ATOM 266 C GLN A 18 2.897 -22.965 -3.145 1.00 0.44 C ATOM 267 O GLN A 18 3.470 -22.241 -3.934 1.00 0.55 O ATOM 268 CB GLN A 18 3.955 -23.346 -0.928 1.00 0.47 C ATOM 269 CG GLN A 18 5.313 -22.772 -1.348 1.00 0.79 C ATOM 270 CD GLN A 18 6.370 -23.177 -0.319 1.00 1.21 C ATOM 271 OE1 GLN A 18 7.001 -22.344 0.300 1.00 2.15 O ATOM 272 NE2 GLN A 18 6.594 -24.445 -0.106 1.00 1.76 N ATOM 0 H GLN A 18 0.919 -22.166 -0.853 1.00 0.36 H new ATOM 0 HA GLN A 18 2.954 -21.526 -1.573 1.00 0.42 H new ATOM 0 HB2 GLN A 18 3.822 -23.243 0.149 1.00 0.47 H new ATOM 0 HB3 GLN A 18 3.913 -24.412 -1.154 1.00 0.47 H new ATOM 0 HG2 GLN A 18 5.588 -23.143 -2.335 1.00 0.79 H new ATOM 0 HG3 GLN A 18 5.256 -21.686 -1.420 1.00 0.79 H new ATOM 0 HE21 GLN A 18 6.068 -25.150 -0.622 1.00 1.76 H new ATOM 0 HE22 GLN A 18 7.295 -24.731 0.577 1.00 1.76 H new ATOM 281 N ARG A 19 2.302 -24.065 -3.497 1.00 0.41 N ATOM 282 CA ARG A 19 2.334 -24.469 -4.925 1.00 0.51 C ATOM 283 C ARG A 19 1.448 -25.679 -5.164 1.00 0.51 C ATOM 284 O ARG A 19 1.937 -26.783 -5.297 1.00 0.64 O ATOM 285 CB ARG A 19 3.778 -24.848 -5.289 1.00 0.66 C ATOM 286 CG ARG A 19 3.853 -25.181 -6.781 1.00 1.64 C ATOM 287 CD ARG A 19 5.296 -25.006 -7.263 1.00 1.91 C ATOM 288 NE ARG A 19 6.206 -25.738 -6.337 1.00 2.26 N ATOM 289 CZ ARG A 19 6.623 -26.933 -6.659 1.00 2.93 C ATOM 290 NH1 ARG A 19 5.881 -27.671 -7.439 1.00 4.09 N ATOM 291 NH2 ARG A 19 7.767 -27.349 -6.188 1.00 3.19 N ATOM 0 H ARG A 19 1.802 -24.694 -2.869 1.00 0.41 H new ATOM 0 HA ARG A 19 1.974 -23.640 -5.535 1.00 0.51 H new ATOM 0 HB2 ARG A 19 4.452 -24.025 -5.054 1.00 0.66 H new ATOM 0 HB3 ARG A 19 4.102 -25.704 -4.697 1.00 0.66 H new ATOM 0 HG2 ARG A 19 3.520 -26.204 -6.955 1.00 1.64 H new ATOM 0 HG3 ARG A 19 3.187 -24.529 -7.346 1.00 1.64 H new ATOM 0 HD2 ARG A 19 5.403 -25.389 -8.278 1.00 1.91 H new ATOM 0 HD3 ARG A 19 5.558 -23.948 -7.292 1.00 1.91 H new ATOM 0 HE ARG A 19 6.500 -25.309 -5.460 1.00 2.26 H new ATOM 0 HH11 ARG A 19 4.992 -27.312 -7.786 1.00 4.09 H new ATOM 0 HH12 ARG A 19 6.190 -28.607 -7.701 1.00 4.09 H new ATOM 0 HH21 ARG A 19 8.318 -26.744 -5.580 1.00 3.19 H new ATOM 0 HH22 ARG A 19 8.109 -28.279 -6.428 1.00 3.19 H new ATOM 305 N GLU A 20 0.162 -25.465 -5.213 1.00 0.56 N ATOM 306 CA GLU A 20 -0.728 -26.636 -5.448 1.00 0.67 C ATOM 307 C GLU A 20 -2.004 -26.218 -6.107 1.00 0.64 C ATOM 308 O GLU A 20 -3.073 -26.665 -5.756 1.00 1.06 O ATOM 309 CB GLU A 20 -1.068 -27.286 -4.115 1.00 0.66 C ATOM 310 CG GLU A 20 -2.157 -26.489 -3.382 1.00 0.51 C ATOM 311 CD GLU A 20 -3.440 -27.328 -3.311 1.00 1.28 C ATOM 312 OE1 GLU A 20 -3.352 -28.396 -2.729 1.00 1.83 O ATOM 313 OE2 GLU A 20 -4.432 -26.855 -3.838 1.00 1.64 O ATOM 0 H GLU A 20 -0.299 -24.562 -5.105 1.00 0.56 H new ATOM 0 HA GLU A 20 -0.203 -27.336 -6.098 1.00 0.67 H new ATOM 0 HB2 GLU A 20 -1.408 -28.308 -4.280 1.00 0.66 H new ATOM 0 HB3 GLU A 20 -0.174 -27.344 -3.495 1.00 0.66 H new ATOM 0 HG2 GLU A 20 -1.821 -26.232 -2.377 1.00 0.51 H new ATOM 0 HG3 GLU A 20 -2.350 -25.551 -3.903 1.00 0.51 H new ATOM 320 N ASP A 21 -1.890 -25.440 -7.096 1.00 0.66 N ATOM 321 CA ASP A 21 -3.129 -25.018 -7.726 1.00 0.53 C ATOM 322 C ASP A 21 -3.801 -24.275 -6.595 1.00 0.56 C ATOM 323 O ASP A 21 -4.971 -24.403 -6.342 1.00 1.42 O ATOM 324 CB ASP A 21 -3.978 -26.228 -8.169 1.00 0.52 C ATOM 325 CG ASP A 21 -3.072 -27.434 -8.436 1.00 1.18 C ATOM 326 OD1 ASP A 21 -2.212 -27.287 -9.289 1.00 1.59 O ATOM 327 OD2 ASP A 21 -3.291 -28.434 -7.770 1.00 2.11 O ATOM 0 H ASP A 21 -1.022 -25.081 -7.494 1.00 0.66 H new ATOM 0 HA ASP A 21 -2.985 -24.428 -8.631 1.00 0.53 H new ATOM 0 HB2 ASP A 21 -4.706 -26.474 -7.396 1.00 0.52 H new ATOM 0 HB3 ASP A 21 -4.540 -25.978 -9.069 1.00 0.52 H new ATOM 332 N GLU A 22 -2.913 -23.637 -5.861 1.00 0.46 N ATOM 333 CA GLU A 22 -3.238 -22.803 -4.667 1.00 0.25 C ATOM 334 C GLU A 22 -1.879 -22.364 -4.075 1.00 0.28 C ATOM 335 O GLU A 22 -0.903 -23.056 -4.287 1.00 0.52 O ATOM 336 CB GLU A 22 -4.051 -23.624 -3.639 1.00 0.32 C ATOM 337 CG GLU A 22 -5.262 -22.829 -3.149 1.00 0.38 C ATOM 338 CD GLU A 22 -6.155 -23.745 -2.316 1.00 0.75 C ATOM 339 OE1 GLU A 22 -5.709 -24.853 -2.067 1.00 1.12 O ATOM 340 OE2 GLU A 22 -7.233 -23.288 -1.975 1.00 1.18 O ATOM 0 H GLU A 22 -1.914 -23.669 -6.063 1.00 0.46 H new ATOM 0 HA GLU A 22 -3.849 -21.940 -4.932 1.00 0.25 H new ATOM 0 HB2 GLU A 22 -4.382 -24.558 -4.092 1.00 0.32 H new ATOM 0 HB3 GLU A 22 -3.416 -23.888 -2.793 1.00 0.32 H new ATOM 0 HG2 GLU A 22 -4.936 -21.977 -2.552 1.00 0.38 H new ATOM 0 HG3 GLU A 22 -5.819 -22.430 -3.997 1.00 0.38 H new ATOM 347 N LEU A 23 -1.802 -21.234 -3.382 1.00 0.23 N ATOM 348 CA LEU A 23 -0.456 -20.817 -2.816 1.00 0.21 C ATOM 349 C LEU A 23 -0.504 -20.534 -1.318 1.00 0.21 C ATOM 350 O LEU A 23 -1.557 -20.318 -0.762 1.00 0.25 O ATOM 351 CB LEU A 23 0.058 -19.510 -3.460 1.00 0.22 C ATOM 352 CG LEU A 23 -0.583 -19.266 -4.833 1.00 0.25 C ATOM 353 CD1 LEU A 23 -1.257 -17.888 -4.924 1.00 0.26 C ATOM 354 CD2 LEU A 23 0.515 -19.372 -5.887 1.00 0.28 C ATOM 0 H LEU A 23 -2.580 -20.604 -3.189 1.00 0.23 H new ATOM 0 HA LEU A 23 0.198 -21.662 -3.031 1.00 0.21 H new ATOM 0 HB2 LEU A 23 -0.160 -18.669 -2.802 1.00 0.22 H new ATOM 0 HB3 LEU A 23 1.142 -19.558 -3.567 1.00 0.22 H new ATOM 0 HG LEU A 23 -1.362 -20.011 -4.994 1.00 0.25 H new ATOM 0 HD11 LEU A 23 -1.696 -17.762 -5.914 1.00 0.26 H new ATOM 0 HD12 LEU A 23 -2.039 -17.815 -4.168 1.00 0.26 H new ATOM 0 HD13 LEU A 23 -0.515 -17.108 -4.754 1.00 0.26 H new ATOM 0 HD21 LEU A 23 0.088 -19.203 -6.876 1.00 0.28 H new ATOM 0 HD22 LEU A 23 1.282 -18.623 -5.690 1.00 0.28 H new ATOM 0 HD23 LEU A 23 0.960 -20.366 -5.850 1.00 0.28 H new ATOM 366 N THR A 24 0.667 -20.463 -0.722 1.00 0.24 N ATOM 367 CA THR A 24 0.766 -20.194 0.733 1.00 0.26 C ATOM 368 C THR A 24 0.831 -18.714 0.958 1.00 0.24 C ATOM 369 O THR A 24 1.358 -18.246 1.948 1.00 0.27 O ATOM 370 CB THR A 24 2.066 -20.797 1.269 1.00 0.31 C ATOM 371 OG1 THR A 24 2.142 -20.382 2.622 1.00 0.33 O ATOM 372 CG2 THR A 24 3.279 -20.129 0.619 1.00 0.35 C ATOM 0 H THR A 24 1.562 -20.583 -1.196 1.00 0.24 H new ATOM 0 HA THR A 24 -0.099 -20.626 1.236 1.00 0.26 H new ATOM 0 HB THR A 24 2.069 -21.873 1.097 1.00 0.31 H new ATOM 0 HG1 THR A 24 2.221 -19.406 2.661 1.00 0.33 H new ATOM 0 HG21 THR A 24 4.193 -20.572 1.014 1.00 0.35 H new ATOM 0 HG22 THR A 24 3.241 -20.277 -0.460 1.00 0.35 H new ATOM 0 HG23 THR A 24 3.268 -19.062 0.840 1.00 0.35 H new ATOM 380 N PHE A 25 0.300 -18.008 0.023 1.00 0.23 N ATOM 381 CA PHE A 25 0.315 -16.549 0.148 1.00 0.23 C ATOM 382 C PHE A 25 -0.132 -16.157 1.548 1.00 0.23 C ATOM 383 O PHE A 25 -1.017 -16.769 2.115 1.00 0.25 O ATOM 384 CB PHE A 25 -0.605 -15.971 -0.914 1.00 0.21 C ATOM 385 CG PHE A 25 -2.022 -16.492 -0.733 1.00 0.19 C ATOM 386 CD1 PHE A 25 -2.852 -15.979 0.240 1.00 0.19 C ATOM 387 CD2 PHE A 25 -2.503 -17.452 -1.587 1.00 0.21 C ATOM 388 CE1 PHE A 25 -4.154 -16.426 0.341 1.00 0.21 C ATOM 389 CE2 PHE A 25 -3.776 -17.900 -1.502 1.00 0.23 C ATOM 390 CZ PHE A 25 -4.617 -17.390 -0.533 1.00 0.23 C ATOM 0 H PHE A 25 -0.142 -18.377 -0.819 1.00 0.23 H new ATOM 0 HA PHE A 25 1.320 -16.154 -0.002 1.00 0.23 H new ATOM 0 HB2 PHE A 25 -0.601 -14.883 -0.854 1.00 0.21 H new ATOM 0 HB3 PHE A 25 -0.238 -16.237 -1.905 1.00 0.21 H new ATOM 0 HD1 PHE A 25 -2.484 -15.228 0.923 1.00 0.19 H new ATOM 0 HD2 PHE A 25 -1.850 -17.859 -2.345 1.00 0.21 H new ATOM 0 HE1 PHE A 25 -4.808 -16.024 1.100 1.00 0.21 H new ATOM 0 HE2 PHE A 25 -4.133 -18.653 -2.189 1.00 0.23 H new ATOM 0 HZ PHE A 25 -5.635 -17.744 -0.459 1.00 0.23 H new ATOM 400 N ILE A 26 0.487 -15.145 2.072 1.00 0.25 N ATOM 401 CA ILE A 26 0.131 -14.687 3.437 1.00 0.26 C ATOM 402 C ILE A 26 -0.709 -13.421 3.410 1.00 0.20 C ATOM 403 O ILE A 26 -0.941 -12.843 2.366 1.00 0.25 O ATOM 404 CB ILE A 26 1.431 -14.377 4.172 1.00 0.35 C ATOM 405 CG1 ILE A 26 2.303 -13.477 3.299 1.00 0.46 C ATOM 406 CG2 ILE A 26 2.182 -15.693 4.423 1.00 0.37 C ATOM 407 CD1 ILE A 26 3.557 -13.071 4.078 1.00 0.81 C ATOM 0 H ILE A 26 1.227 -14.613 1.613 1.00 0.25 H new ATOM 0 HA ILE A 26 -0.449 -15.469 3.927 1.00 0.26 H new ATOM 0 HB ILE A 26 1.211 -13.878 5.116 1.00 0.35 H new ATOM 0 HG12 ILE A 26 2.583 -14.000 2.385 1.00 0.46 H new ATOM 0 HG13 ILE A 26 1.744 -12.590 3.000 1.00 0.46 H new ATOM 0 HG21 ILE A 26 3.114 -15.485 4.948 1.00 0.37 H new ATOM 0 HG22 ILE A 26 1.564 -16.355 5.029 1.00 0.37 H new ATOM 0 HG23 ILE A 26 2.402 -16.174 3.470 1.00 0.37 H new ATOM 0 HD11 ILE A 26 4.180 -12.429 3.456 1.00 0.81 H new ATOM 0 HD12 ILE A 26 3.267 -12.532 4.980 1.00 0.81 H new ATOM 0 HD13 ILE A 26 4.119 -13.963 4.354 1.00 0.81 H new ATOM 419 N LYS A 27 -1.150 -13.013 4.569 1.00 0.21 N ATOM 420 CA LYS A 27 -1.967 -11.795 4.638 1.00 0.21 C ATOM 421 C LYS A 27 -1.152 -10.632 4.143 1.00 0.25 C ATOM 422 O LYS A 27 -0.033 -10.433 4.564 1.00 0.51 O ATOM 423 CB LYS A 27 -2.374 -11.525 6.090 1.00 0.27 C ATOM 424 CG LYS A 27 -3.076 -10.155 6.163 1.00 0.33 C ATOM 425 CD LYS A 27 -2.138 -9.112 6.785 1.00 1.30 C ATOM 426 CE LYS A 27 -2.185 -9.232 8.312 1.00 1.47 C ATOM 427 NZ LYS A 27 -3.563 -8.963 8.814 1.00 1.97 N ATOM 0 H LYS A 27 -0.975 -13.476 5.461 1.00 0.21 H new ATOM 0 HA LYS A 27 -2.859 -11.924 4.025 1.00 0.21 H new ATOM 0 HB2 LYS A 27 -3.041 -12.310 6.447 1.00 0.27 H new ATOM 0 HB3 LYS A 27 -1.496 -11.534 6.736 1.00 0.27 H new ATOM 0 HG2 LYS A 27 -3.374 -9.837 5.164 1.00 0.33 H new ATOM 0 HG3 LYS A 27 -3.987 -10.236 6.757 1.00 0.33 H new ATOM 0 HD2 LYS A 27 -1.119 -9.264 6.428 1.00 1.30 H new ATOM 0 HD3 LYS A 27 -2.437 -8.109 6.479 1.00 1.30 H new ATOM 0 HE2 LYS A 27 -1.870 -10.231 8.614 1.00 1.47 H new ATOM 0 HE3 LYS A 27 -1.484 -8.527 8.760 1.00 1.47 H new ATOM 0 HZ1 LYS A 27 -3.510 -8.536 9.761 1.00 1.97 H new ATOM 0 HZ2 LYS A 27 -4.047 -8.309 8.166 1.00 1.97 H new ATOM 0 HZ3 LYS A 27 -4.094 -9.856 8.866 1.00 1.97 H new ATOM 441 N SER A 28 -1.761 -9.935 3.240 1.00 0.33 N ATOM 442 CA SER A 28 -1.159 -8.734 2.599 1.00 0.33 C ATOM 443 C SER A 28 -0.712 -9.070 1.184 1.00 0.31 C ATOM 444 O SER A 28 -0.394 -8.194 0.404 1.00 0.35 O ATOM 445 CB SER A 28 0.056 -8.215 3.389 1.00 0.42 C ATOM 446 OG SER A 28 0.289 -6.923 2.848 1.00 1.35 O ATOM 0 H SER A 28 -2.697 -10.156 2.901 1.00 0.33 H new ATOM 0 HA SER A 28 -1.923 -7.957 2.583 1.00 0.33 H new ATOM 0 HB2 SER A 28 -0.153 -8.169 4.458 1.00 0.42 H new ATOM 0 HB3 SER A 28 0.922 -8.864 3.261 1.00 0.42 H new ATOM 0 HG SER A 28 0.123 -6.938 1.882 1.00 1.35 H new ATOM 452 N ALA A 29 -0.695 -10.339 0.879 1.00 0.29 N ATOM 453 CA ALA A 29 -0.273 -10.751 -0.481 1.00 0.31 C ATOM 454 C ALA A 29 -1.154 -10.065 -1.513 1.00 0.28 C ATOM 455 O ALA A 29 -2.343 -9.933 -1.307 1.00 0.32 O ATOM 456 CB ALA A 29 -0.450 -12.269 -0.606 1.00 0.36 C ATOM 0 H ALA A 29 -0.953 -11.099 1.509 1.00 0.29 H new ATOM 0 HA ALA A 29 0.768 -10.474 -0.648 1.00 0.31 H new ATOM 0 HB1 ALA A 29 -0.144 -12.590 -1.602 1.00 0.36 H new ATOM 0 HB2 ALA A 29 0.165 -12.770 0.142 1.00 0.36 H new ATOM 0 HB3 ALA A 29 -1.497 -12.528 -0.447 1.00 0.36 H new ATOM 462 N ILE A 30 -0.562 -9.650 -2.602 1.00 0.29 N ATOM 463 CA ILE A 30 -1.355 -8.970 -3.652 1.00 0.30 C ATOM 464 C ILE A 30 -1.300 -9.769 -4.949 1.00 0.36 C ATOM 465 O ILE A 30 -0.322 -9.739 -5.670 1.00 0.83 O ATOM 466 CB ILE A 30 -0.747 -7.592 -3.876 1.00 0.30 C ATOM 467 CG1 ILE A 30 -0.128 -7.089 -2.572 1.00 0.32 C ATOM 468 CG2 ILE A 30 -1.877 -6.641 -4.287 1.00 0.31 C ATOM 469 CD1 ILE A 30 0.232 -5.609 -2.717 1.00 1.07 C ATOM 0 H ILE A 30 0.432 -9.755 -2.804 1.00 0.29 H new ATOM 0 HA ILE A 30 -2.397 -8.886 -3.342 1.00 0.30 H new ATOM 0 HB ILE A 30 0.023 -7.639 -4.646 1.00 0.30 H new ATOM 0 HG12 ILE A 30 -0.829 -7.225 -1.748 1.00 0.32 H new ATOM 0 HG13 ILE A 30 0.763 -7.669 -2.332 1.00 0.32 H new ATOM 0 HG21 ILE A 30 -1.470 -5.644 -4.455 1.00 0.31 H new ATOM 0 HG22 ILE A 30 -2.341 -7.003 -5.205 1.00 0.31 H new ATOM 0 HG23 ILE A 30 -2.624 -6.600 -3.494 1.00 0.31 H new ATOM 0 HD11 ILE A 30 0.674 -5.249 -1.788 1.00 1.07 H new ATOM 0 HD12 ILE A 30 0.948 -5.487 -3.530 1.00 1.07 H new ATOM 0 HD13 ILE A 30 -0.668 -5.035 -2.937 1.00 1.07 H new ATOM 481 N ILE A 31 -2.360 -10.467 -5.210 1.00 0.26 N ATOM 482 CA ILE A 31 -2.433 -11.291 -6.440 1.00 0.23 C ATOM 483 C ILE A 31 -2.981 -10.468 -7.615 1.00 0.22 C ATOM 484 O ILE A 31 -3.731 -9.541 -7.406 1.00 0.26 O ATOM 485 CB ILE A 31 -3.369 -12.450 -6.107 1.00 0.24 C ATOM 486 CG1 ILE A 31 -2.812 -13.195 -4.884 1.00 0.25 C ATOM 487 CG2 ILE A 31 -3.421 -13.411 -7.297 1.00 0.26 C ATOM 488 CD1 ILE A 31 -3.761 -14.319 -4.466 1.00 0.26 C ATOM 0 H ILE A 31 -3.189 -10.503 -4.617 1.00 0.26 H new ATOM 0 HA ILE A 31 -1.448 -11.647 -6.742 1.00 0.23 H new ATOM 0 HB ILE A 31 -4.370 -12.074 -5.895 1.00 0.24 H new ATOM 0 HG12 ILE A 31 -1.830 -13.607 -5.118 1.00 0.25 H new ATOM 0 HG13 ILE A 31 -2.677 -12.498 -4.057 1.00 0.25 H new ATOM 0 HG21 ILE A 31 -4.088 -14.241 -7.065 1.00 0.26 H new ATOM 0 HG22 ILE A 31 -3.791 -12.883 -8.176 1.00 0.26 H new ATOM 0 HG23 ILE A 31 -2.421 -13.795 -7.499 1.00 0.26 H new ATOM 0 HD11 ILE A 31 -3.352 -14.837 -3.598 1.00 0.26 H new ATOM 0 HD12 ILE A 31 -4.734 -13.898 -4.212 1.00 0.26 H new ATOM 0 HD13 ILE A 31 -3.875 -15.024 -5.289 1.00 0.26 H new ATOM 500 N GLN A 32 -2.587 -10.816 -8.826 1.00 0.22 N ATOM 501 CA GLN A 32 -3.078 -10.058 -10.021 1.00 0.26 C ATOM 502 C GLN A 32 -3.943 -10.942 -10.921 1.00 0.25 C ATOM 503 O GLN A 32 -3.862 -12.151 -10.860 1.00 0.22 O ATOM 504 CB GLN A 32 -1.858 -9.597 -10.826 1.00 0.36 C ATOM 505 CG GLN A 32 -0.959 -8.742 -9.931 1.00 0.91 C ATOM 506 CD GLN A 32 0.044 -7.985 -10.803 1.00 1.18 C ATOM 507 OE1 GLN A 32 0.388 -8.414 -11.887 1.00 2.02 O ATOM 508 NE2 GLN A 32 0.536 -6.857 -10.371 1.00 1.98 N ATOM 0 H GLN A 32 -1.952 -11.587 -9.032 1.00 0.22 H new ATOM 0 HA GLN A 32 -3.679 -9.215 -9.681 1.00 0.26 H new ATOM 0 HB2 GLN A 32 -1.306 -10.460 -11.198 1.00 0.36 H new ATOM 0 HB3 GLN A 32 -2.177 -9.023 -11.696 1.00 0.36 H new ATOM 0 HG2 GLN A 32 -1.561 -8.039 -9.355 1.00 0.91 H new ATOM 0 HG3 GLN A 32 -0.433 -9.373 -9.215 1.00 0.91 H new ATOM 0 HE21 GLN A 32 0.252 -6.491 -9.462 1.00 1.98 H new ATOM 0 HE22 GLN A 32 1.205 -6.341 -10.942 1.00 1.98 H new ATOM 517 N ASN A 33 -4.752 -10.325 -11.751 1.00 0.35 N ATOM 518 CA ASN A 33 -5.620 -11.129 -12.651 1.00 0.42 C ATOM 519 C ASN A 33 -6.432 -12.066 -11.797 1.00 0.40 C ATOM 520 O ASN A 33 -5.977 -13.130 -11.432 1.00 0.51 O ATOM 521 CB ASN A 33 -4.750 -11.937 -13.624 1.00 0.50 C ATOM 522 CG ASN A 33 -4.855 -11.324 -15.021 1.00 0.95 C ATOM 523 OD1 ASN A 33 -4.560 -10.163 -15.224 1.00 1.93 O ATOM 524 ND2 ASN A 33 -5.270 -12.066 -16.010 1.00 1.64 N ATOM 0 H ASN A 33 -4.844 -9.313 -11.839 1.00 0.35 H new ATOM 0 HA ASN A 33 -6.275 -10.477 -13.229 1.00 0.42 H new ATOM 0 HB2 ASN A 33 -3.712 -11.935 -13.290 1.00 0.50 H new ATOM 0 HB3 ASN A 33 -5.076 -12.977 -13.645 1.00 0.50 H new ATOM 0 HD21 ASN A 33 -5.345 -11.671 -16.947 1.00 1.64 H new ATOM 0 HD22 ASN A 33 -5.519 -13.041 -15.846 1.00 1.64 H new ATOM 531 N VAL A 34 -7.627 -11.644 -11.502 1.00 0.41 N ATOM 532 CA VAL A 34 -8.503 -12.487 -10.658 1.00 0.41 C ATOM 533 C VAL A 34 -9.902 -12.718 -11.231 1.00 0.45 C ATOM 534 O VAL A 34 -10.379 -11.975 -12.066 1.00 0.51 O ATOM 535 CB VAL A 34 -8.577 -11.745 -9.322 1.00 0.40 C ATOM 536 CG1 VAL A 34 -10.023 -11.503 -8.882 1.00 1.03 C ATOM 537 CG2 VAL A 34 -7.842 -12.575 -8.293 1.00 0.78 C ATOM 0 H VAL A 34 -8.030 -10.758 -11.808 1.00 0.41 H new ATOM 0 HA VAL A 34 -8.090 -13.493 -10.578 1.00 0.41 H new ATOM 0 HB VAL A 34 -8.117 -10.763 -9.428 1.00 0.40 H new ATOM 0 HG11 VAL A 34 -10.030 -10.974 -7.929 1.00 1.03 H new ATOM 0 HG12 VAL A 34 -10.537 -10.904 -9.634 1.00 1.03 H new ATOM 0 HG13 VAL A 34 -10.534 -12.459 -8.769 1.00 1.03 H new ATOM 0 HG21 VAL A 34 -7.877 -12.071 -7.327 1.00 0.78 H new ATOM 0 HG22 VAL A 34 -8.315 -13.553 -8.209 1.00 0.78 H new ATOM 0 HG23 VAL A 34 -6.804 -12.699 -8.600 1.00 0.78 H new ATOM 547 N GLU A 35 -10.526 -13.770 -10.746 1.00 0.47 N ATOM 548 CA GLU A 35 -11.898 -14.122 -11.209 1.00 0.55 C ATOM 549 C GLU A 35 -12.413 -15.373 -10.481 1.00 0.52 C ATOM 550 O GLU A 35 -11.961 -16.469 -10.747 1.00 0.70 O ATOM 551 CB GLU A 35 -11.854 -14.429 -12.716 1.00 0.70 C ATOM 552 CG GLU A 35 -12.978 -13.665 -13.422 1.00 1.24 C ATOM 553 CD GLU A 35 -13.185 -14.250 -14.820 1.00 1.54 C ATOM 554 OE1 GLU A 35 -13.990 -15.162 -14.912 1.00 2.20 O ATOM 555 OE2 GLU A 35 -12.526 -13.752 -15.718 1.00 1.87 O ATOM 0 H GLU A 35 -10.135 -14.400 -10.045 1.00 0.47 H new ATOM 0 HA GLU A 35 -12.561 -13.283 -10.999 1.00 0.55 H new ATOM 0 HB2 GLU A 35 -10.888 -14.141 -13.129 1.00 0.70 H new ATOM 0 HB3 GLU A 35 -11.966 -15.500 -12.884 1.00 0.70 H new ATOM 0 HG2 GLU A 35 -13.900 -13.736 -12.845 1.00 1.24 H new ATOM 0 HG3 GLU A 35 -12.726 -12.607 -13.491 1.00 1.24 H new ATOM 562 N LYS A 36 -13.337 -15.187 -9.564 1.00 0.48 N ATOM 563 CA LYS A 36 -13.882 -16.366 -8.820 1.00 0.47 C ATOM 564 C LYS A 36 -14.150 -17.502 -9.797 1.00 0.50 C ATOM 565 O LYS A 36 -14.295 -17.278 -10.982 1.00 0.92 O ATOM 566 CB LYS A 36 -15.192 -15.950 -8.129 1.00 0.70 C ATOM 567 CG LYS A 36 -15.287 -14.422 -8.097 1.00 0.83 C ATOM 568 CD LYS A 36 -16.433 -14.005 -7.170 1.00 1.40 C ATOM 569 CE LYS A 36 -16.401 -12.487 -6.976 1.00 1.42 C ATOM 570 NZ LYS A 36 -16.825 -11.791 -8.224 1.00 1.85 N ATOM 0 H LYS A 36 -13.731 -14.283 -9.303 1.00 0.48 H new ATOM 0 HA LYS A 36 -13.163 -16.704 -8.073 1.00 0.47 H new ATOM 0 HB2 LYS A 36 -16.046 -16.367 -8.663 1.00 0.70 H new ATOM 0 HB3 LYS A 36 -15.224 -16.349 -7.115 1.00 0.70 H new ATOM 0 HG2 LYS A 36 -14.347 -13.995 -7.747 1.00 0.83 H new ATOM 0 HG3 LYS A 36 -15.458 -14.036 -9.102 1.00 0.83 H new ATOM 0 HD2 LYS A 36 -17.389 -14.308 -7.596 1.00 1.40 H new ATOM 0 HD3 LYS A 36 -16.339 -14.508 -6.208 1.00 1.40 H new ATOM 0 HE2 LYS A 36 -17.060 -12.206 -6.154 1.00 1.42 H new ATOM 0 HE3 LYS A 36 -15.395 -12.171 -6.701 1.00 1.42 H new ATOM 0 HZ1 LYS A 36 -16.895 -10.769 -8.045 1.00 1.85 H new ATOM 0 HZ2 LYS A 36 -16.124 -11.964 -8.973 1.00 1.85 H new ATOM 0 HZ3 LYS A 36 -17.752 -12.154 -8.526 1.00 1.85 H new ATOM 584 N GLN A 37 -14.211 -18.701 -9.293 1.00 0.60 N ATOM 585 CA GLN A 37 -14.463 -19.840 -10.205 1.00 0.53 C ATOM 586 C GLN A 37 -15.133 -21.015 -9.493 1.00 0.96 C ATOM 587 O GLN A 37 -14.929 -21.242 -8.317 1.00 1.27 O ATOM 588 CB GLN A 37 -13.098 -20.284 -10.750 1.00 0.54 C ATOM 589 CG GLN A 37 -13.305 -21.294 -11.887 1.00 1.40 C ATOM 590 CD GLN A 37 -13.934 -20.587 -13.088 1.00 2.29 C ATOM 591 OE1 GLN A 37 -14.048 -19.379 -13.121 1.00 3.23 O ATOM 592 NE2 GLN A 37 -14.353 -21.303 -14.095 1.00 3.10 N ATOM 0 H GLN A 37 -14.099 -18.936 -8.307 1.00 0.60 H new ATOM 0 HA GLN A 37 -15.141 -19.525 -10.998 1.00 0.53 H new ATOM 0 HB2 GLN A 37 -12.541 -19.420 -11.113 1.00 0.54 H new ATOM 0 HB3 GLN A 37 -12.505 -20.733 -9.953 1.00 0.54 H new ATOM 0 HG2 GLN A 37 -12.351 -21.738 -12.171 1.00 1.40 H new ATOM 0 HG3 GLN A 37 -13.948 -22.108 -11.552 1.00 1.40 H new ATOM 0 HE21 GLN A 37 -14.260 -22.318 -14.073 1.00 3.10 H new ATOM 0 HE22 GLN A 37 -14.774 -20.847 -14.905 1.00 3.10 H new ATOM 601 N GLU A 38 -15.923 -21.734 -10.242 1.00 1.12 N ATOM 602 CA GLU A 38 -16.640 -22.908 -9.681 1.00 1.62 C ATOM 603 C GLU A 38 -17.304 -22.595 -8.347 1.00 1.03 C ATOM 604 O GLU A 38 -17.684 -23.489 -7.616 1.00 1.32 O ATOM 605 CB GLU A 38 -15.632 -24.047 -9.495 1.00 2.54 C ATOM 606 CG GLU A 38 -15.633 -24.921 -10.752 1.00 3.32 C ATOM 607 CD GLU A 38 -16.844 -25.857 -10.718 1.00 4.48 C ATOM 608 OE1 GLU A 38 -17.905 -25.384 -11.091 1.00 4.63 O ATOM 609 OE2 GLU A 38 -16.640 -26.992 -10.321 1.00 5.66 O ATOM 0 H GLU A 38 -16.103 -21.554 -11.230 1.00 1.12 H new ATOM 0 HA GLU A 38 -17.430 -23.191 -10.376 1.00 1.62 H new ATOM 0 HB2 GLU A 38 -14.635 -23.643 -9.318 1.00 2.54 H new ATOM 0 HB3 GLU A 38 -15.894 -24.643 -8.621 1.00 2.54 H new ATOM 0 HG2 GLU A 38 -15.668 -24.295 -11.644 1.00 3.32 H new ATOM 0 HG3 GLU A 38 -14.712 -25.501 -10.806 1.00 3.32 H new ATOM 616 N GLY A 39 -17.436 -21.335 -8.061 1.00 0.66 N ATOM 617 CA GLY A 39 -18.079 -20.938 -6.775 1.00 1.00 C ATOM 618 C GLY A 39 -17.334 -19.775 -6.127 1.00 1.05 C ATOM 619 O GLY A 39 -17.448 -18.644 -6.558 1.00 2.44 O ATOM 0 H GLY A 39 -17.130 -20.564 -8.655 1.00 0.66 H new ATOM 0 HA2 GLY A 39 -19.116 -20.655 -6.955 1.00 1.00 H new ATOM 0 HA3 GLY A 39 -18.095 -21.789 -6.094 1.00 1.00 H new ATOM 623 N GLY A 40 -16.587 -20.086 -5.103 1.00 0.71 N ATOM 624 CA GLY A 40 -15.818 -19.027 -4.394 1.00 0.40 C ATOM 625 C GLY A 40 -14.320 -19.328 -4.441 1.00 0.30 C ATOM 626 O GLY A 40 -13.675 -19.410 -3.414 1.00 0.37 O ATOM 0 H GLY A 40 -16.477 -21.028 -4.728 1.00 0.71 H new ATOM 0 HA2 GLY A 40 -16.014 -18.058 -4.853 1.00 0.40 H new ATOM 0 HA3 GLY A 40 -16.149 -18.962 -3.358 1.00 0.40 H new ATOM 630 N TRP A 41 -13.804 -19.488 -5.632 1.00 0.25 N ATOM 631 CA TRP A 41 -12.352 -19.783 -5.780 1.00 0.24 C ATOM 632 C TRP A 41 -11.801 -18.832 -6.819 1.00 0.28 C ATOM 633 O TRP A 41 -12.300 -18.752 -7.913 1.00 0.36 O ATOM 634 CB TRP A 41 -12.208 -21.260 -6.126 1.00 0.30 C ATOM 635 CG TRP A 41 -12.792 -21.956 -4.897 1.00 0.32 C ATOM 636 CD1 TRP A 41 -14.111 -22.126 -4.710 1.00 0.34 C ATOM 637 CD2 TRP A 41 -12.161 -22.076 -3.720 1.00 0.31 C ATOM 638 NE1 TRP A 41 -14.230 -22.316 -3.394 1.00 0.34 N ATOM 639 CE2 TRP A 41 -13.069 -22.288 -2.699 1.00 0.32 C ATOM 640 CE3 TRP A 41 -10.816 -21.982 -3.429 1.00 0.31 C ATOM 641 CZ2 TRP A 41 -12.637 -22.375 -1.388 1.00 0.32 C ATOM 642 CZ3 TRP A 41 -10.380 -22.082 -2.124 1.00 0.30 C ATOM 643 CH2 TRP A 41 -11.296 -22.274 -1.095 1.00 0.30 C ATOM 0 H TRP A 41 -14.326 -19.427 -6.506 1.00 0.25 H new ATOM 0 HA TRP A 41 -11.775 -19.624 -4.869 1.00 0.24 H new ATOM 0 HB2 TRP A 41 -12.754 -21.518 -7.034 1.00 0.30 H new ATOM 0 HB3 TRP A 41 -11.167 -21.537 -6.291 1.00 0.30 H new ATOM 0 HD1 TRP A 41 -14.895 -22.112 -5.453 1.00 0.34 H new ATOM 0 HE1 TRP A 41 -15.132 -22.471 -2.944 1.00 0.34 H new ATOM 0 HE3 TRP A 41 -10.102 -21.830 -4.225 1.00 0.31 H new ATOM 0 HZ2 TRP A 41 -13.353 -22.522 -0.593 1.00 0.32 H new ATOM 0 HZ3 TRP A 41 -9.326 -22.011 -1.901 1.00 0.30 H new ATOM 0 HH2 TRP A 41 -10.957 -22.343 -0.072 1.00 0.30 H new ATOM 654 N TRP A 42 -10.778 -18.131 -6.429 1.00 0.26 N ATOM 655 CA TRP A 42 -10.142 -17.140 -7.325 1.00 0.27 C ATOM 656 C TRP A 42 -8.839 -17.585 -7.987 1.00 0.29 C ATOM 657 O TRP A 42 -8.214 -18.499 -7.541 1.00 0.56 O ATOM 658 CB TRP A 42 -9.767 -16.002 -6.382 1.00 0.27 C ATOM 659 CG TRP A 42 -11.023 -15.421 -5.740 1.00 0.29 C ATOM 660 CD1 TRP A 42 -12.052 -16.164 -5.295 1.00 0.28 C ATOM 661 CD2 TRP A 42 -11.327 -14.133 -5.682 1.00 0.33 C ATOM 662 NE1 TRP A 42 -12.975 -15.261 -5.030 1.00 0.32 N ATOM 663 CE2 TRP A 42 -12.616 -13.985 -5.224 1.00 0.35 C ATOM 664 CE3 TRP A 42 -10.545 -13.020 -5.899 1.00 0.36 C ATOM 665 CZ2 TRP A 42 -13.143 -12.746 -4.994 1.00 0.40 C ATOM 666 CZ3 TRP A 42 -11.078 -11.762 -5.654 1.00 0.42 C ATOM 667 CH2 TRP A 42 -12.377 -11.631 -5.206 1.00 0.44 C ATOM 0 H TRP A 42 -10.349 -18.207 -5.507 1.00 0.26 H new ATOM 0 HA TRP A 42 -10.831 -16.919 -8.140 1.00 0.27 H new ATOM 0 HB2 TRP A 42 -9.089 -16.367 -5.610 1.00 0.27 H new ATOM 0 HB3 TRP A 42 -9.236 -15.224 -6.931 1.00 0.27 H new ATOM 0 HD1 TRP A 42 -12.108 -17.237 -5.182 1.00 0.28 H new ATOM 0 HE1 TRP A 42 -13.905 -15.518 -4.698 1.00 0.32 H new ATOM 0 HE3 TRP A 42 -9.531 -13.125 -6.255 1.00 0.36 H new ATOM 0 HZ2 TRP A 42 -14.161 -12.646 -4.646 1.00 0.40 H new ATOM 0 HZ3 TRP A 42 -10.474 -10.882 -5.815 1.00 0.42 H new ATOM 0 HH2 TRP A 42 -12.789 -10.650 -5.023 1.00 0.44 H new ATOM 678 N ARG A 43 -8.450 -16.880 -9.031 1.00 0.21 N ATOM 679 CA ARG A 43 -7.180 -17.228 -9.749 1.00 0.22 C ATOM 680 C ARG A 43 -6.289 -15.987 -9.834 1.00 0.21 C ATOM 681 O ARG A 43 -6.686 -14.930 -9.407 1.00 0.22 O ATOM 682 CB ARG A 43 -7.487 -17.657 -11.175 1.00 0.26 C ATOM 683 CG ARG A 43 -7.060 -19.111 -11.365 1.00 0.42 C ATOM 684 CD ARG A 43 -7.391 -19.548 -12.794 1.00 0.43 C ATOM 685 NE ARG A 43 -7.259 -21.029 -12.886 1.00 1.56 N ATOM 686 CZ ARG A 43 -7.493 -21.626 -14.022 1.00 2.10 C ATOM 687 NH1 ARG A 43 -8.450 -21.177 -14.787 1.00 2.39 N ATOM 688 NH2 ARG A 43 -6.762 -22.654 -14.355 1.00 2.58 N ATOM 0 H ARG A 43 -8.957 -16.082 -9.413 1.00 0.21 H new ATOM 0 HA ARG A 43 -6.687 -18.033 -9.204 1.00 0.22 H new ATOM 0 HB2 ARG A 43 -8.552 -17.549 -11.379 1.00 0.26 H new ATOM 0 HB3 ARG A 43 -6.961 -17.016 -11.882 1.00 0.26 H new ATOM 0 HG2 ARG A 43 -5.991 -19.217 -11.178 1.00 0.42 H new ATOM 0 HG3 ARG A 43 -7.574 -19.751 -10.648 1.00 0.42 H new ATOM 0 HD2 ARG A 43 -8.404 -19.242 -13.057 1.00 0.43 H new ATOM 0 HD3 ARG A 43 -6.718 -19.064 -13.502 1.00 0.43 H new ATOM 0 HE ARG A 43 -6.988 -21.572 -12.067 1.00 1.56 H new ATOM 0 HH11 ARG A 43 -9.002 -20.371 -14.493 1.00 2.39 H new ATOM 0 HH12 ARG A 43 -8.646 -21.632 -15.679 1.00 2.39 H new ATOM 0 HH21 ARG A 43 -6.023 -22.978 -13.731 1.00 2.58 H new ATOM 0 HH22 ARG A 43 -6.930 -23.134 -15.239 1.00 2.58 H new ATOM 702 N GLY A 44 -5.100 -16.127 -10.385 1.00 0.22 N ATOM 703 CA GLY A 44 -4.184 -14.947 -10.492 1.00 0.23 C ATOM 704 C GLY A 44 -2.764 -15.324 -10.032 1.00 0.24 C ATOM 705 O GLY A 44 -2.578 -16.117 -9.131 1.00 0.30 O ATOM 0 H GLY A 44 -4.731 -17.000 -10.761 1.00 0.22 H new ATOM 0 HA2 GLY A 44 -4.157 -14.592 -11.522 1.00 0.23 H new ATOM 0 HA3 GLY A 44 -4.565 -14.127 -9.883 1.00 0.23 H new ATOM 709 N ASP A 45 -1.802 -14.751 -10.683 1.00 0.21 N ATOM 710 CA ASP A 45 -0.372 -15.033 -10.339 1.00 0.24 C ATOM 711 C ASP A 45 0.017 -14.537 -8.944 1.00 0.25 C ATOM 712 O ASP A 45 -0.612 -13.667 -8.383 1.00 0.41 O ATOM 713 CB ASP A 45 0.508 -14.307 -11.362 1.00 0.28 C ATOM 714 CG ASP A 45 1.114 -13.061 -10.713 1.00 1.59 C ATOM 715 OD1 ASP A 45 0.445 -12.042 -10.768 1.00 2.48 O ATOM 716 OD2 ASP A 45 2.211 -13.199 -10.197 1.00 2.22 O ATOM 0 H ASP A 45 -1.937 -14.091 -11.449 1.00 0.21 H new ATOM 0 HA ASP A 45 -0.233 -16.114 -10.354 1.00 0.24 H new ATOM 0 HB2 ASP A 45 1.299 -14.969 -11.714 1.00 0.28 H new ATOM 0 HB3 ASP A 45 -0.083 -14.026 -12.233 1.00 0.28 H new ATOM 721 N TYR A 46 1.073 -15.110 -8.427 1.00 0.26 N ATOM 722 CA TYR A 46 1.559 -14.718 -7.075 1.00 0.26 C ATOM 723 C TYR A 46 2.932 -15.330 -6.813 1.00 0.37 C ATOM 724 O TYR A 46 3.181 -15.877 -5.757 1.00 1.10 O ATOM 725 CB TYR A 46 0.580 -15.251 -6.021 1.00 0.28 C ATOM 726 CG TYR A 46 0.930 -14.601 -4.686 1.00 0.32 C ATOM 727 CD1 TYR A 46 0.939 -13.224 -4.582 1.00 0.32 C ATOM 728 CD2 TYR A 46 1.402 -15.356 -3.621 1.00 0.38 C ATOM 729 CE1 TYR A 46 1.428 -12.611 -3.468 1.00 0.38 C ATOM 730 CE2 TYR A 46 1.893 -14.726 -2.501 1.00 0.44 C ATOM 731 CZ TYR A 46 1.909 -13.350 -2.412 1.00 0.44 C ATOM 732 OH TYR A 46 2.398 -12.724 -1.282 1.00 0.52 O ATOM 0 H TYR A 46 1.621 -15.836 -8.888 1.00 0.26 H new ATOM 0 HA TYR A 46 1.628 -13.631 -7.022 1.00 0.26 H new ATOM 0 HB2 TYR A 46 -0.447 -15.018 -6.301 1.00 0.28 H new ATOM 0 HB3 TYR A 46 0.652 -16.336 -5.948 1.00 0.28 H new ATOM 0 HD1 TYR A 46 0.553 -12.625 -5.394 1.00 0.32 H new ATOM 0 HD2 TYR A 46 1.384 -16.435 -3.672 1.00 0.38 H new ATOM 0 HE1 TYR A 46 1.438 -11.532 -3.413 1.00 0.38 H new ATOM 0 HE2 TYR A 46 2.271 -15.317 -1.680 1.00 0.44 H new ATOM 0 HH TYR A 46 2.695 -13.399 -0.637 1.00 0.52 H new ATOM 742 N GLY A 47 3.798 -15.223 -7.783 1.00 0.76 N ATOM 743 CA GLY A 47 5.164 -15.792 -7.615 1.00 0.87 C ATOM 744 C GLY A 47 5.665 -16.364 -8.943 1.00 1.12 C ATOM 745 O GLY A 47 5.345 -15.859 -9.999 1.00 1.98 O ATOM 0 H GLY A 47 3.620 -14.769 -8.679 1.00 0.76 H new ATOM 0 HA2 GLY A 47 5.847 -15.019 -7.263 1.00 0.87 H new ATOM 0 HA3 GLY A 47 5.149 -16.574 -6.856 1.00 0.87 H new ATOM 749 N GLY A 48 6.441 -17.410 -8.861 1.00 1.34 N ATOM 750 CA GLY A 48 6.972 -18.028 -10.109 1.00 1.52 C ATOM 751 C GLY A 48 5.849 -18.729 -10.877 1.00 1.14 C ATOM 752 O GLY A 48 6.002 -19.066 -12.034 1.00 1.27 O ATOM 0 H GLY A 48 6.728 -17.860 -7.992 1.00 1.34 H new ATOM 0 HA2 GLY A 48 7.427 -17.262 -10.737 1.00 1.52 H new ATOM 0 HA3 GLY A 48 7.755 -18.745 -9.863 1.00 1.52 H new ATOM 756 N LYS A 49 4.744 -18.935 -10.215 1.00 0.80 N ATOM 757 CA LYS A 49 3.604 -19.611 -10.889 1.00 0.55 C ATOM 758 C LYS A 49 2.723 -18.590 -11.599 1.00 0.45 C ATOM 759 O LYS A 49 3.022 -17.412 -11.593 1.00 0.64 O ATOM 760 CB LYS A 49 2.778 -20.329 -9.819 1.00 0.90 C ATOM 761 CG LYS A 49 3.457 -21.665 -9.493 1.00 1.43 C ATOM 762 CD LYS A 49 3.043 -22.720 -10.526 1.00 2.35 C ATOM 763 CE LYS A 49 4.258 -23.582 -10.878 1.00 3.11 C ATOM 764 NZ LYS A 49 5.137 -22.869 -11.846 1.00 3.89 N ATOM 0 H LYS A 49 4.583 -18.666 -9.244 1.00 0.80 H new ATOM 0 HA LYS A 49 3.982 -20.317 -11.628 1.00 0.55 H new ATOM 0 HB2 LYS A 49 2.703 -19.714 -8.922 1.00 0.90 H new ATOM 0 HB3 LYS A 49 1.762 -20.498 -10.175 1.00 0.90 H new ATOM 0 HG2 LYS A 49 4.540 -21.544 -9.497 1.00 1.43 H new ATOM 0 HG3 LYS A 49 3.176 -21.992 -8.492 1.00 1.43 H new ATOM 0 HD2 LYS A 49 2.243 -23.343 -10.127 1.00 2.35 H new ATOM 0 HD3 LYS A 49 2.653 -22.236 -11.422 1.00 2.35 H new ATOM 0 HE2 LYS A 49 4.819 -23.818 -9.974 1.00 3.11 H new ATOM 0 HE3 LYS A 49 3.929 -24.529 -11.305 1.00 3.11 H new ATOM 0 HZ1 LYS A 49 5.957 -23.466 -12.075 1.00 3.89 H new ATOM 0 HZ2 LYS A 49 4.603 -22.665 -12.715 1.00 3.89 H new ATOM 0 HZ3 LYS A 49 5.466 -21.977 -11.425 1.00 3.89 H new ATOM 778 N LYS A 50 1.658 -19.048 -12.206 1.00 0.43 N ATOM 779 CA LYS A 50 0.777 -18.089 -12.908 1.00 0.40 C ATOM 780 C LYS A 50 -0.691 -18.512 -12.897 1.00 0.45 C ATOM 781 O LYS A 50 -1.118 -19.315 -13.700 1.00 0.94 O ATOM 782 CB LYS A 50 1.239 -17.974 -14.360 1.00 0.47 C ATOM 783 CG LYS A 50 0.786 -16.620 -14.896 1.00 0.58 C ATOM 784 CD LYS A 50 0.515 -16.735 -16.397 1.00 0.83 C ATOM 785 CE LYS A 50 0.495 -15.334 -17.011 1.00 1.57 C ATOM 786 NZ LYS A 50 1.884 -14.858 -17.267 1.00 2.15 N ATOM 0 H LYS A 50 1.370 -20.026 -12.242 1.00 0.43 H new ATOM 0 HA LYS A 50 0.848 -17.136 -12.383 1.00 0.40 H new ATOM 0 HB2 LYS A 50 2.323 -18.065 -14.423 1.00 0.47 H new ATOM 0 HB3 LYS A 50 0.817 -18.781 -14.959 1.00 0.47 H new ATOM 0 HG2 LYS A 50 -0.115 -16.293 -14.376 1.00 0.58 H new ATOM 0 HG3 LYS A 50 1.552 -15.867 -14.710 1.00 0.58 H new ATOM 0 HD2 LYS A 50 1.285 -17.343 -16.873 1.00 0.83 H new ATOM 0 HD3 LYS A 50 -0.438 -17.235 -16.570 1.00 0.83 H new ATOM 0 HE2 LYS A 50 -0.069 -15.347 -17.944 1.00 1.57 H new ATOM 0 HE3 LYS A 50 -0.015 -14.643 -16.339 1.00 1.57 H new ATOM 0 HZ1 LYS A 50 1.913 -13.820 -17.204 1.00 2.15 H new ATOM 0 HZ2 LYS A 50 2.527 -15.266 -16.558 1.00 2.15 H new ATOM 0 HZ3 LYS A 50 2.183 -15.155 -18.218 1.00 2.15 H new ATOM 800 N GLN A 51 -1.413 -17.959 -11.963 1.00 0.35 N ATOM 801 CA GLN A 51 -2.866 -18.261 -11.822 1.00 0.26 C ATOM 802 C GLN A 51 -3.156 -19.619 -11.206 1.00 0.16 C ATOM 803 O GLN A 51 -3.455 -20.574 -11.895 1.00 0.30 O ATOM 804 CB GLN A 51 -3.543 -18.181 -13.201 1.00 0.38 C ATOM 805 CG GLN A 51 -2.936 -17.026 -14.006 1.00 0.96 C ATOM 806 CD GLN A 51 -4.047 -16.307 -14.773 1.00 1.15 C ATOM 807 OE1 GLN A 51 -4.298 -16.583 -15.929 1.00 1.60 O ATOM 808 NE2 GLN A 51 -4.735 -15.377 -14.168 1.00 1.91 N ATOM 0 H GLN A 51 -1.050 -17.297 -11.277 1.00 0.35 H new ATOM 0 HA GLN A 51 -3.268 -17.514 -11.138 1.00 0.26 H new ATOM 0 HB2 GLN A 51 -3.410 -19.121 -13.737 1.00 0.38 H new ATOM 0 HB3 GLN A 51 -4.616 -18.030 -13.082 1.00 0.38 H new ATOM 0 HG2 GLN A 51 -2.429 -16.329 -13.339 1.00 0.96 H new ATOM 0 HG3 GLN A 51 -2.186 -17.406 -14.700 1.00 0.96 H new ATOM 0 HE21 GLN A 51 -4.529 -15.140 -13.197 1.00 1.91 H new ATOM 0 HE22 GLN A 51 -5.478 -14.887 -14.666 1.00 1.91 H new ATOM 817 N LEU A 52 -3.059 -19.665 -9.905 1.00 0.14 N ATOM 818 CA LEU A 52 -3.328 -20.930 -9.184 1.00 0.19 C ATOM 819 C LEU A 52 -4.699 -20.784 -8.534 1.00 0.21 C ATOM 820 O LEU A 52 -5.681 -20.669 -9.241 1.00 0.37 O ATOM 821 CB LEU A 52 -2.239 -21.157 -8.117 1.00 0.29 C ATOM 822 CG LEU A 52 -0.841 -21.153 -8.771 1.00 0.24 C ATOM 823 CD1 LEU A 52 0.156 -21.799 -7.812 1.00 0.50 C ATOM 824 CD2 LEU A 52 -0.837 -21.959 -10.075 1.00 0.47 C ATOM 0 H LEU A 52 -2.804 -18.875 -9.313 1.00 0.14 H new ATOM 0 HA LEU A 52 -3.316 -21.787 -9.858 1.00 0.19 H new ATOM 0 HB2 LEU A 52 -2.295 -20.377 -7.358 1.00 0.29 H new ATOM 0 HB3 LEU A 52 -2.409 -22.107 -7.611 1.00 0.29 H new ATOM 0 HG LEU A 52 -0.569 -20.120 -8.989 1.00 0.24 H new ATOM 0 HD11 LEU A 52 1.147 -21.801 -8.265 1.00 0.50 H new ATOM 0 HD12 LEU A 52 0.184 -21.233 -6.881 1.00 0.50 H new ATOM 0 HD13 LEU A 52 -0.150 -22.824 -7.605 1.00 0.50 H new ATOM 0 HD21 LEU A 52 0.161 -21.938 -10.513 1.00 0.47 H new ATOM 0 HD22 LEU A 52 -1.120 -22.991 -9.866 1.00 0.47 H new ATOM 0 HD23 LEU A 52 -1.549 -21.522 -10.775 1.00 0.47 H new ATOM 836 N TRP A 53 -4.780 -20.780 -7.227 1.00 0.15 N ATOM 837 CA TRP A 53 -6.140 -20.630 -6.635 1.00 0.16 C ATOM 838 C TRP A 53 -6.174 -20.072 -5.225 1.00 0.15 C ATOM 839 O TRP A 53 -5.309 -20.339 -4.420 1.00 0.16 O ATOM 840 CB TRP A 53 -6.785 -22.000 -6.568 1.00 0.23 C ATOM 841 CG TRP A 53 -7.148 -22.408 -7.982 1.00 0.29 C ATOM 842 CD1 TRP A 53 -6.437 -23.261 -8.727 1.00 0.41 C ATOM 843 CD2 TRP A 53 -8.137 -21.882 -8.693 1.00 0.30 C ATOM 844 NE1 TRP A 53 -7.056 -23.219 -9.913 1.00 0.47 N ATOM 845 CE2 TRP A 53 -8.122 -22.377 -9.979 1.00 0.39 C ATOM 846 CE3 TRP A 53 -9.049 -20.912 -8.331 1.00 0.30 C ATOM 847 CZ2 TRP A 53 -9.025 -21.893 -10.905 1.00 0.42 C ATOM 848 CZ3 TRP A 53 -9.938 -20.427 -9.265 1.00 0.34 C ATOM 849 CH2 TRP A 53 -9.922 -20.921 -10.549 1.00 0.38 C ATOM 0 H TRP A 53 -4.003 -20.870 -6.572 1.00 0.15 H new ATOM 0 HA TRP A 53 -6.658 -19.919 -7.279 1.00 0.16 H new ATOM 0 HB2 TRP A 53 -6.101 -22.724 -6.125 1.00 0.23 H new ATOM 0 HB3 TRP A 53 -7.674 -21.974 -5.937 1.00 0.23 H new ATOM 0 HD1 TRP A 53 -5.573 -23.843 -8.441 1.00 0.41 H new ATOM 0 HE1 TRP A 53 -6.750 -23.778 -10.710 1.00 0.47 H new ATOM 0 HE3 TRP A 53 -9.066 -20.534 -7.319 1.00 0.30 H new ATOM 0 HZ2 TRP A 53 -9.024 -22.282 -11.913 1.00 0.42 H new ATOM 0 HZ3 TRP A 53 -10.647 -19.660 -8.990 1.00 0.34 H new ATOM 0 HH2 TRP A 53 -10.620 -20.540 -11.280 1.00 0.38 H new ATOM 860 N PHE A 54 -7.170 -19.265 -4.966 1.00 0.16 N ATOM 861 CA PHE A 54 -7.293 -18.681 -3.611 1.00 0.18 C ATOM 862 C PHE A 54 -8.779 -18.569 -3.238 1.00 0.16 C ATOM 863 O PHE A 54 -9.562 -18.044 -3.999 1.00 0.16 O ATOM 864 CB PHE A 54 -6.704 -17.260 -3.516 1.00 0.19 C ATOM 865 CG PHE A 54 -6.108 -16.801 -4.815 1.00 0.17 C ATOM 866 CD1 PHE A 54 -5.021 -17.448 -5.339 1.00 0.14 C ATOM 867 CD2 PHE A 54 -6.657 -15.731 -5.489 1.00 0.21 C ATOM 868 CE1 PHE A 54 -4.493 -17.049 -6.527 1.00 0.16 C ATOM 869 CE2 PHE A 54 -6.137 -15.328 -6.667 1.00 0.22 C ATOM 870 CZ PHE A 54 -5.043 -15.993 -7.199 1.00 0.20 C ATOM 0 H PHE A 54 -7.893 -18.991 -5.631 1.00 0.16 H new ATOM 0 HA PHE A 54 -6.742 -19.340 -2.940 1.00 0.18 H new ATOM 0 HB2 PHE A 54 -7.486 -16.565 -3.212 1.00 0.19 H new ATOM 0 HB3 PHE A 54 -5.939 -17.238 -2.740 1.00 0.19 H new ATOM 0 HD1 PHE A 54 -4.581 -18.278 -4.807 1.00 0.14 H new ATOM 0 HD2 PHE A 54 -7.508 -15.213 -5.072 1.00 0.21 H new ATOM 0 HE1 PHE A 54 -3.639 -17.566 -6.940 1.00 0.16 H new ATOM 0 HE2 PHE A 54 -6.571 -14.491 -7.193 1.00 0.22 H new ATOM 0 HZ PHE A 54 -4.626 -15.677 -8.144 1.00 0.20 H new ATOM 880 N PRO A 55 -9.150 -19.054 -2.078 1.00 0.17 N ATOM 881 CA PRO A 55 -10.553 -18.994 -1.628 1.00 0.18 C ATOM 882 C PRO A 55 -11.169 -17.605 -1.686 1.00 0.18 C ATOM 883 O PRO A 55 -10.488 -16.601 -1.622 1.00 0.25 O ATOM 884 CB PRO A 55 -10.480 -19.376 -0.160 1.00 0.21 C ATOM 885 CG PRO A 55 -9.089 -20.037 0.083 1.00 0.23 C ATOM 886 CD PRO A 55 -8.225 -19.688 -1.110 1.00 0.20 C ATOM 0 HA PRO A 55 -11.163 -19.632 -2.268 1.00 0.18 H new ATOM 0 HB2 PRO A 55 -10.602 -18.496 0.472 1.00 0.21 H new ATOM 0 HB3 PRO A 55 -11.283 -20.067 0.097 1.00 0.21 H new ATOM 0 HG2 PRO A 55 -8.641 -19.668 1.006 1.00 0.23 H new ATOM 0 HG3 PRO A 55 -9.187 -21.118 0.186 1.00 0.23 H new ATOM 0 HD2 PRO A 55 -7.420 -19.009 -0.830 1.00 0.20 H new ATOM 0 HD3 PRO A 55 -7.758 -20.577 -1.534 1.00 0.20 H new ATOM 894 N SER A 56 -12.466 -17.597 -1.810 1.00 0.17 N ATOM 895 CA SER A 56 -13.203 -16.319 -1.864 1.00 0.18 C ATOM 896 C SER A 56 -13.548 -16.061 -0.419 1.00 0.25 C ATOM 897 O SER A 56 -14.296 -15.172 -0.065 1.00 0.30 O ATOM 898 CB SER A 56 -14.498 -16.495 -2.661 1.00 0.21 C ATOM 899 OG SER A 56 -15.238 -17.439 -1.903 1.00 1.04 O ATOM 0 H SER A 56 -13.047 -18.433 -1.876 1.00 0.17 H new ATOM 0 HA SER A 56 -12.633 -15.517 -2.334 1.00 0.18 H new ATOM 0 HB2 SER A 56 -15.037 -15.553 -2.762 1.00 0.21 H new ATOM 0 HB3 SER A 56 -14.301 -16.859 -3.669 1.00 0.21 H new ATOM 0 HG SER A 56 -16.195 -17.316 -2.072 1.00 1.04 H new ATOM 905 N ASN A 57 -12.944 -16.905 0.379 1.00 0.27 N ATOM 906 CA ASN A 57 -13.113 -16.871 1.827 1.00 0.35 C ATOM 907 C ASN A 57 -11.807 -16.394 2.413 1.00 0.39 C ATOM 908 O ASN A 57 -11.700 -16.141 3.597 1.00 0.51 O ATOM 909 CB ASN A 57 -13.374 -18.321 2.292 1.00 0.36 C ATOM 910 CG ASN A 57 -14.833 -18.453 2.732 1.00 0.56 C ATOM 911 OD1 ASN A 57 -15.747 -18.258 1.956 1.00 1.21 O ATOM 912 ND2 ASN A 57 -15.095 -18.780 3.968 1.00 1.64 N ATOM 0 H ASN A 57 -12.318 -17.640 0.051 1.00 0.27 H new ATOM 0 HA ASN A 57 -13.932 -16.220 2.133 1.00 0.35 H new ATOM 0 HB2 ASN A 57 -13.161 -19.019 1.482 1.00 0.36 H new ATOM 0 HB3 ASN A 57 -12.708 -18.577 3.116 1.00 0.36 H new ATOM 0 HD21 ASN A 57 -16.063 -18.871 4.277 1.00 1.64 H new ATOM 0 HD22 ASN A 57 -14.332 -18.945 4.625 1.00 1.64 H new ATOM 919 N TYR A 58 -10.829 -16.287 1.538 1.00 0.34 N ATOM 920 CA TYR A 58 -9.493 -15.830 1.988 1.00 0.39 C ATOM 921 C TYR A 58 -9.016 -14.562 1.265 1.00 0.52 C ATOM 922 O TYR A 58 -7.967 -14.044 1.592 1.00 1.23 O ATOM 923 CB TYR A 58 -8.468 -16.942 1.717 1.00 0.29 C ATOM 924 CG TYR A 58 -8.460 -17.961 2.880 1.00 0.22 C ATOM 925 CD1 TYR A 58 -9.516 -18.860 3.104 1.00 0.26 C ATOM 926 CD2 TYR A 58 -7.395 -17.963 3.762 1.00 0.23 C ATOM 927 CE1 TYR A 58 -9.487 -19.706 4.193 1.00 0.33 C ATOM 928 CE2 TYR A 58 -7.380 -18.817 4.846 1.00 0.37 C ATOM 929 CZ TYR A 58 -8.422 -19.692 5.069 1.00 0.42 C ATOM 930 OH TYR A 58 -8.400 -20.544 6.154 1.00 0.59 O ATOM 0 H TYR A 58 -10.908 -16.497 0.543 1.00 0.34 H new ATOM 0 HA TYR A 58 -9.578 -15.599 3.050 1.00 0.39 H new ATOM 0 HB2 TYR A 58 -8.710 -17.449 0.783 1.00 0.29 H new ATOM 0 HB3 TYR A 58 -7.475 -16.509 1.597 1.00 0.29 H new ATOM 0 HD1 TYR A 58 -10.353 -18.889 2.422 1.00 0.26 H new ATOM 0 HD2 TYR A 58 -6.566 -17.289 3.601 1.00 0.23 H new ATOM 0 HE1 TYR A 58 -10.308 -20.387 4.362 1.00 0.33 H new ATOM 0 HE2 TYR A 58 -6.542 -18.800 5.528 1.00 0.37 H new ATOM 0 HH TYR A 58 -7.576 -20.402 6.665 1.00 0.59 H new ATOM 940 N VAL A 59 -9.775 -14.085 0.302 1.00 0.36 N ATOM 941 CA VAL A 59 -9.345 -12.856 -0.427 1.00 0.28 C ATOM 942 C VAL A 59 -10.456 -11.808 -0.516 1.00 0.45 C ATOM 943 O VAL A 59 -11.552 -12.005 -0.032 1.00 0.76 O ATOM 944 CB VAL A 59 -8.972 -13.274 -1.850 1.00 0.40 C ATOM 945 CG1 VAL A 59 -7.944 -14.391 -1.762 1.00 0.47 C ATOM 946 CG2 VAL A 59 -10.229 -13.748 -2.609 1.00 0.53 C ATOM 0 H VAL A 59 -10.660 -14.490 -0.003 1.00 0.36 H new ATOM 0 HA VAL A 59 -8.511 -12.410 0.115 1.00 0.28 H new ATOM 0 HB VAL A 59 -8.552 -12.429 -2.396 1.00 0.40 H new ATOM 0 HG11 VAL A 59 -7.662 -14.706 -2.767 1.00 0.47 H new ATOM 0 HG12 VAL A 59 -7.061 -14.032 -1.233 1.00 0.47 H new ATOM 0 HG13 VAL A 59 -8.371 -15.237 -1.223 1.00 0.47 H new ATOM 0 HG21 VAL A 59 -9.953 -14.043 -3.621 1.00 0.53 H new ATOM 0 HG22 VAL A 59 -10.668 -14.600 -2.089 1.00 0.53 H new ATOM 0 HG23 VAL A 59 -10.955 -12.936 -2.653 1.00 0.53 H new ATOM 956 N GLU A 60 -10.126 -10.707 -1.140 1.00 0.43 N ATOM 957 CA GLU A 60 -11.111 -9.604 -1.302 1.00 0.59 C ATOM 958 C GLU A 60 -10.525 -8.523 -2.207 1.00 0.60 C ATOM 959 O GLU A 60 -9.407 -8.096 -2.013 1.00 0.74 O ATOM 960 CB GLU A 60 -11.416 -9.000 0.072 1.00 0.83 C ATOM 961 CG GLU A 60 -12.918 -9.133 0.351 1.00 1.08 C ATOM 962 CD GLU A 60 -13.213 -8.707 1.789 1.00 1.98 C ATOM 963 OE1 GLU A 60 -12.751 -7.638 2.141 1.00 2.69 O ATOM 964 OE2 GLU A 60 -13.885 -9.477 2.454 1.00 2.45 O ATOM 0 H GLU A 60 -9.208 -10.526 -1.546 1.00 0.43 H new ATOM 0 HA GLU A 60 -12.026 -9.994 -1.748 1.00 0.59 H new ATOM 0 HB2 GLU A 60 -10.842 -9.512 0.845 1.00 0.83 H new ATOM 0 HB3 GLU A 60 -11.119 -7.951 0.097 1.00 0.83 H new ATOM 0 HG2 GLU A 60 -13.484 -8.514 -0.345 1.00 1.08 H new ATOM 0 HG3 GLU A 60 -13.237 -10.163 0.194 1.00 1.08 H new ATOM 971 N GLU A 61 -11.296 -8.101 -3.173 1.00 0.62 N ATOM 972 CA GLU A 61 -10.808 -7.048 -4.111 1.00 0.68 C ATOM 973 C GLU A 61 -10.442 -5.752 -3.404 1.00 0.89 C ATOM 974 O GLU A 61 -11.153 -4.773 -3.486 1.00 1.42 O ATOM 975 CB GLU A 61 -11.919 -6.763 -5.120 1.00 0.80 C ATOM 976 CG GLU A 61 -12.262 -8.071 -5.819 1.00 1.07 C ATOM 977 CD GLU A 61 -12.289 -7.847 -7.333 1.00 1.88 C ATOM 978 OE1 GLU A 61 -12.922 -6.881 -7.726 1.00 2.08 O ATOM 979 OE2 GLU A 61 -11.673 -8.653 -8.010 1.00 2.93 O ATOM 0 H GLU A 61 -12.241 -8.439 -3.353 1.00 0.62 H new ATOM 0 HA GLU A 61 -9.903 -7.418 -4.593 1.00 0.68 H new ATOM 0 HB2 GLU A 61 -12.797 -6.358 -4.617 1.00 0.80 H new ATOM 0 HB3 GLU A 61 -11.594 -6.017 -5.845 1.00 0.80 H new ATOM 0 HG2 GLU A 61 -11.526 -8.835 -5.566 1.00 1.07 H new ATOM 0 HG3 GLU A 61 -13.231 -8.436 -5.477 1.00 1.07 H new ATOM 986 N MET A 62 -9.324 -5.790 -2.741 1.00 0.80 N ATOM 987 CA MET A 62 -8.830 -4.598 -1.999 1.00 1.03 C ATOM 988 C MET A 62 -9.964 -3.765 -1.415 1.00 1.29 C ATOM 989 O MET A 62 -10.595 -2.990 -2.106 1.00 1.43 O ATOM 990 CB MET A 62 -8.041 -3.719 -2.976 1.00 1.14 C ATOM 991 CG MET A 62 -6.547 -4.024 -2.842 1.00 1.14 C ATOM 992 SD MET A 62 -5.422 -3.146 -3.956 1.00 1.65 S ATOM 993 CE MET A 62 -3.891 -3.948 -3.419 1.00 1.56 C ATOM 0 H MET A 62 -8.720 -6.610 -2.680 1.00 0.80 H new ATOM 0 HA MET A 62 -8.213 -4.949 -1.172 1.00 1.03 H new ATOM 0 HB2 MET A 62 -8.371 -3.905 -3.998 1.00 1.14 H new ATOM 0 HB3 MET A 62 -8.228 -2.666 -2.767 1.00 1.14 H new ATOM 0 HG2 MET A 62 -6.248 -3.804 -1.817 1.00 1.14 H new ATOM 0 HG3 MET A 62 -6.405 -5.094 -2.993 1.00 1.14 H new ATOM 0 HE1 MET A 62 -3.254 -4.133 -4.284 1.00 1.56 H new ATOM 0 HE2 MET A 62 -3.368 -3.300 -2.715 1.00 1.56 H new ATOM 0 HE3 MET A 62 -4.127 -4.895 -2.934 1.00 1.56 H new ATOM 1003 N VAL A 63 -10.186 -3.923 -0.144 1.00 1.78 N ATOM 1004 CA VAL A 63 -11.277 -3.144 0.510 1.00 2.17 C ATOM 1005 C VAL A 63 -10.883 -1.685 0.671 1.00 3.33 C ATOM 1006 O VAL A 63 -11.344 -0.988 1.553 1.00 3.58 O ATOM 1007 CB VAL A 63 -11.519 -3.719 1.895 1.00 2.27 C ATOM 1008 CG1 VAL A 63 -12.878 -3.247 2.416 1.00 2.77 C ATOM 1009 CG2 VAL A 63 -11.501 -5.247 1.839 1.00 2.86 C ATOM 0 H VAL A 63 -9.666 -4.551 0.469 1.00 1.78 H new ATOM 0 HA VAL A 63 -12.170 -3.208 -0.112 1.00 2.17 H new ATOM 0 HB VAL A 63 -10.730 -3.375 2.564 1.00 2.27 H new ATOM 0 HG11 VAL A 63 -13.050 -3.660 3.410 1.00 2.77 H new ATOM 0 HG12 VAL A 63 -12.889 -2.158 2.469 1.00 2.77 H new ATOM 0 HG13 VAL A 63 -13.664 -3.586 1.741 1.00 2.77 H new ATOM 0 HG21 VAL A 63 -11.675 -5.650 2.837 1.00 2.86 H new ATOM 0 HG22 VAL A 63 -12.284 -5.596 1.165 1.00 2.86 H new ATOM 0 HG23 VAL A 63 -10.531 -5.586 1.475 1.00 2.86 H new ATOM 1019 N ASN A 64 -10.038 -1.278 -0.199 1.00 4.61 N ATOM 1020 CA ASN A 64 -9.541 0.122 -0.194 1.00 6.04 C ATOM 1021 C ASN A 64 -9.365 0.624 -1.636 1.00 7.23 C ATOM 1022 O ASN A 64 -8.304 0.472 -2.210 1.00 8.54 O ATOM 1023 CB ASN A 64 -8.164 0.129 0.482 1.00 7.32 C ATOM 1024 CG ASN A 64 -8.307 -0.342 1.931 1.00 7.78 C ATOM 1025 OD1 ASN A 64 -8.593 -1.493 2.196 1.00 7.75 O ATOM 1026 ND2 ASN A 64 -8.117 0.515 2.897 1.00 8.79 N ATOM 0 H ASN A 64 -9.652 -1.863 -0.940 1.00 4.61 H new ATOM 0 HA ASN A 64 -10.251 0.762 0.330 1.00 6.04 H new ATOM 0 HB2 ASN A 64 -7.478 -0.524 -0.058 1.00 7.32 H new ATOM 0 HB3 ASN A 64 -7.738 1.132 0.454 1.00 7.32 H new ATOM 0 HD21 ASN A 64 -8.209 0.217 3.868 1.00 8.79 H new ATOM 0 HD22 ASN A 64 -7.877 1.482 2.681 1.00 8.79 H new ATOM 1033 N PRO A 65 -10.398 1.214 -2.207 1.00 7.36 N ATOM 1034 CA PRO A 65 -10.323 1.721 -3.577 1.00 8.93 C ATOM 1035 C PRO A 65 -9.220 2.757 -3.714 1.00 10.47 C ATOM 1036 O PRO A 65 -8.191 2.674 -3.074 1.00 11.14 O ATOM 1037 CB PRO A 65 -11.719 2.342 -3.838 1.00 9.09 C ATOM 1038 CG PRO A 65 -12.621 1.930 -2.662 1.00 7.64 C ATOM 1039 CD PRO A 65 -11.690 1.460 -1.546 1.00 6.59 C ATOM 0 HA PRO A 65 -10.083 0.939 -4.297 1.00 8.93 H new ATOM 0 HB2 PRO A 65 -11.651 3.427 -3.910 1.00 9.09 H new ATOM 0 HB3 PRO A 65 -12.130 1.985 -4.783 1.00 9.09 H new ATOM 0 HG2 PRO A 65 -13.233 2.769 -2.330 1.00 7.64 H new ATOM 0 HG3 PRO A 65 -13.305 1.134 -2.958 1.00 7.64 H new ATOM 0 HD2 PRO A 65 -11.597 2.215 -0.765 1.00 6.59 H new ATOM 0 HD3 PRO A 65 -12.069 0.555 -1.071 1.00 6.59 H new ATOM 1047 N GLU A 66 -9.476 3.713 -4.533 1.00 11.27 N ATOM 1048 CA GLU A 66 -8.480 4.795 -4.765 1.00 12.87 C ATOM 1049 C GLU A 66 -7.166 4.203 -5.276 1.00 13.97 C ATOM 1050 O GLU A 66 -6.769 3.129 -4.871 1.00 13.56 O ATOM 1051 CB GLU A 66 -8.217 5.525 -3.438 1.00 13.23 C ATOM 1052 CG GLU A 66 -8.645 6.987 -3.579 1.00 13.71 C ATOM 1053 CD GLU A 66 -8.553 7.675 -2.216 1.00 14.39 C ATOM 1054 OE1 GLU A 66 -9.040 7.074 -1.272 1.00 14.43 O ATOM 1055 OE2 GLU A 66 -8.001 8.763 -2.194 1.00 15.01 O ATOM 0 H GLU A 66 -10.342 3.803 -5.065 1.00 11.27 H new ATOM 0 HA GLU A 66 -8.872 5.489 -5.509 1.00 12.87 H new ATOM 0 HB2 GLU A 66 -8.770 5.047 -2.630 1.00 13.23 H new ATOM 0 HB3 GLU A 66 -7.160 5.466 -3.179 1.00 13.23 H new ATOM 0 HG2 GLU A 66 -8.006 7.497 -4.300 1.00 13.71 H new ATOM 0 HG3 GLU A 66 -9.665 7.044 -3.960 1.00 13.71 H new ATOM 1062 N GLY A 67 -6.512 4.906 -6.159 1.00 15.51 N ATOM 1063 CA GLY A 67 -5.227 4.377 -6.693 1.00 16.80 C ATOM 1064 C GLY A 67 -4.560 5.401 -7.611 1.00 18.36 C ATOM 1065 O GLY A 67 -5.197 5.985 -8.465 1.00 18.73 O ATOM 0 H GLY A 67 -6.806 5.810 -6.529 1.00 15.51 H new ATOM 0 HA2 GLY A 67 -4.558 4.131 -5.868 1.00 16.80 H new ATOM 0 HA3 GLY A 67 -5.409 3.453 -7.242 1.00 16.80 H new ATOM 1069 N ILE A 68 -3.287 5.595 -7.410 1.00 19.36 N ATOM 1070 CA ILE A 68 -2.548 6.571 -8.252 1.00 20.97 C ATOM 1071 C ILE A 68 -1.836 5.867 -9.405 1.00 22.18 C ATOM 1072 O ILE A 68 -1.644 4.667 -9.377 1.00 21.97 O ATOM 1073 CB ILE A 68 -1.501 7.258 -7.377 1.00 21.57 C ATOM 1074 CG1 ILE A 68 -2.194 8.036 -6.262 1.00 20.75 C ATOM 1075 CG2 ILE A 68 -0.708 8.243 -8.246 1.00 23.21 C ATOM 1076 CD1 ILE A 68 -1.364 7.922 -4.981 1.00 20.70 C ATOM 0 H ILE A 68 -2.729 5.120 -6.700 1.00 19.36 H new ATOM 0 HA ILE A 68 -3.253 7.291 -8.666 1.00 20.97 H new ATOM 0 HB ILE A 68 -0.838 6.510 -6.942 1.00 21.57 H new ATOM 0 HG12 ILE A 68 -2.305 9.082 -6.546 1.00 20.75 H new ATOM 0 HG13 ILE A 68 -3.197 7.643 -6.096 1.00 20.75 H new ATOM 0 HG21 ILE A 68 0.044 8.742 -7.636 1.00 23.21 H new ATOM 0 HG22 ILE A 68 -0.218 7.701 -9.055 1.00 23.21 H new ATOM 0 HG23 ILE A 68 -1.386 8.986 -8.665 1.00 23.21 H new ATOM 0 HD11 ILE A 68 -1.853 8.476 -4.180 1.00 20.70 H new ATOM 0 HD12 ILE A 68 -1.276 6.873 -4.696 1.00 20.70 H new ATOM 0 HD13 ILE A 68 -0.370 8.335 -5.153 1.00 20.70 H new ATOM 1088 N HIS A 69 -1.456 6.632 -10.395 1.00 23.56 N ATOM 1089 CA HIS A 69 -0.754 6.037 -11.564 1.00 24.90 C ATOM 1090 C HIS A 69 0.743 6.330 -11.505 1.00 26.25 C ATOM 1091 O HIS A 69 1.158 7.351 -10.994 1.00 26.63 O ATOM 1092 CB HIS A 69 -1.326 6.669 -12.838 1.00 25.39 C ATOM 1093 CG HIS A 69 -2.319 7.768 -12.455 1.00 25.22 C ATOM 1094 ND1 HIS A 69 -3.547 7.584 -12.202 1.00 24.69 N ATOM 1095 CD2 HIS A 69 -2.122 9.128 -12.303 1.00 25.73 C ATOM 1096 CE1 HIS A 69 -4.119 8.693 -11.912 1.00 24.83 C ATOM 1097 NE2 HIS A 69 -3.279 9.715 -11.955 1.00 25.49 N ATOM 0 H HIS A 69 -1.602 7.640 -10.442 1.00 23.56 H new ATOM 0 HA HIS A 69 -0.900 4.957 -11.557 1.00 24.90 H new ATOM 0 HB2 HIS A 69 -0.521 7.085 -13.444 1.00 25.39 H new ATOM 0 HB3 HIS A 69 -1.821 5.910 -13.443 1.00 25.39 H new ATOM 0 HD2 HIS A 69 -1.181 9.640 -12.443 1.00 25.73 H new ATOM 0 HE1 HIS A 69 -5.166 8.784 -11.661 1.00 24.83 H new ATOM 0 HE2 HIS A 69 -3.464 10.701 -11.770 1.00 25.49 H new ATOM 1105 N ARG A 70 1.527 5.428 -12.030 1.00 27.06 N ATOM 1106 CA ARG A 70 2.998 5.642 -12.012 1.00 28.43 C ATOM 1107 C ARG A 70 3.402 6.707 -13.028 1.00 29.91 C ATOM 1108 O ARG A 70 2.801 7.761 -13.097 1.00 30.12 O ATOM 1109 CB ARG A 70 3.683 4.321 -12.384 1.00 28.93 C ATOM 1110 CG ARG A 70 5.164 4.399 -12.004 1.00 29.71 C ATOM 1111 CD ARG A 70 5.396 3.600 -10.721 1.00 29.55 C ATOM 1112 NE ARG A 70 6.734 3.949 -10.166 1.00 30.49 N ATOM 1113 CZ ARG A 70 7.142 3.375 -9.068 1.00 30.55 C ATOM 1114 NH1 ARG A 70 7.282 2.078 -9.050 1.00 30.48 N ATOM 1115 NH2 ARG A 70 7.396 4.117 -8.025 1.00 30.77 N ATOM 0 H ARG A 70 1.215 4.561 -12.466 1.00 27.06 H new ATOM 0 HA ARG A 70 3.298 5.974 -11.018 1.00 28.43 H new ATOM 0 HB2 ARG A 70 3.205 3.490 -11.865 1.00 28.93 H new ATOM 0 HB3 ARG A 70 3.579 4.131 -13.452 1.00 28.93 H new ATOM 0 HG2 ARG A 70 5.780 4.002 -12.811 1.00 29.71 H new ATOM 0 HG3 ARG A 70 5.460 5.438 -11.858 1.00 29.71 H new ATOM 0 HD2 ARG A 70 4.617 3.823 -9.993 1.00 29.55 H new ATOM 0 HD3 ARG A 70 5.342 2.531 -10.928 1.00 29.55 H new ATOM 0 HE ARG A 70 7.326 4.631 -10.641 1.00 30.49 H new ATOM 0 HH11 ARG A 70 7.074 1.531 -9.885 1.00 30.48 H new ATOM 0 HH12 ARG A 70 7.600 1.611 -8.201 1.00 30.48 H new ATOM 0 HH21 ARG A 70 7.275 5.128 -8.077 1.00 30.77 H new ATOM 0 HH22 ARG A 70 7.716 3.686 -7.158 1.00 30.77 H new ATOM 1129 N ASP A 71 4.413 6.409 -13.799 1.00 30.98 N ATOM 1130 CA ASP A 71 4.873 7.385 -14.815 1.00 32.52 C ATOM 1131 C ASP A 71 4.266 7.077 -16.182 1.00 32.75 C ATOM 1132 O ASP A 71 3.702 8.000 -16.745 1.00 33.01 O ATOM 1133 CB ASP A 71 6.399 7.288 -14.918 1.00 33.98 C ATOM 1134 CG ASP A 71 7.033 8.100 -13.788 1.00 34.39 C ATOM 1135 OD1 ASP A 71 6.585 9.221 -13.609 1.00 34.57 O ATOM 1136 OD2 ASP A 71 7.929 7.554 -13.165 1.00 34.59 O ATOM 1137 OXT ASP A 71 4.400 5.934 -16.588 1.00 32.72 O ATOM 0 H ASP A 71 4.936 5.534 -13.766 1.00 30.98 H new ATOM 0 HA ASP A 71 4.561 8.385 -14.515 1.00 32.52 H new ATOM 0 HB2 ASP A 71 6.714 6.246 -14.854 1.00 33.98 H new ATOM 0 HB3 ASP A 71 6.735 7.664 -15.884 1.00 33.98 H new TER 1142 ASP A 71 END