USER MOD reduce.3.24.130724 H: found=0, std=0, add=929, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 925 hydrogens (8 hets) HEADER HORMONE/GROWTH FACTOR 19-APR-99 1QG1 TITLE GROWTH FACTOR RECEPTOR BINDING PROTEIN SH2 DOMAIN COMPLEXED TITLE 2 WITH AN SHC-DERIVED PEPTIDE COMPND MOL_ID: 1; COMPND 2 MOLECULE: PROTEIN (GROWTH FACTOR RECEPTOR BINDING PROTEIN); COMPND 3 CHAIN: E; COMPND 4 FRAGMENT: SH2; COMPND 5 SYNONYM: GRB2-SH2; COMPND 6 ENGINEERED: YES; COMPND 7 OTHER_DETAILS: RESIDUES HIS-58 - THR-159 AND THE EXTRINSIC COMPND 8 N-TERMINAL TWO RESIDUES, GLY-56 AND SER-57; COMPND 9 MOL_ID: 2; COMPND 0 MOLECULE: PROTEIN (SHC-DERIVED PEPTIDE); COMPND 1 CHAIN: I; COMPND 2 FRAGMENT: 423-435; COMPND 3 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_VECTOR: PGEX-4T-2; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: BL21 (DE3); SOURCE 9 EXPRESSION_SYSTEM_GENE: PROTEIN WAS EXPRESSED WITH PGEX-4T- SOURCE 0 2 VECTOR AND BL21 (DE3) CELL AS GST-FUSION PROTEIN, AND SOURCE 1 CLEAVED WITH TRYPSIN; SOURCE 2 MOL_ID: 2; SOURCE 3 SYNTHETIC: YES; SOURCE 4 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED BY SOURCE 5 THE SOLID-PHASE FMOC STRATEGY. THE SEQUENCE OF THIS SOURCE 6 PEPTIDE IS NATURALLY FOUND IN HOMO SAPIENS (HUMAN). KEYWDS SIGNAL TRANSDUCTION, SH2 DOMAIN, PHOSPHOTYROSYL PEPTIDE, KEYWDS 2 COMPLEX (SIGNAL TRANSDUCTION/PEPTIDE), HORMONE/GROWTH KEYWDS 3 FACTOR COMPLEX EXPDTA SOLUTION NMR AUTHOR K.OGURA REVDAT 4 24-FEB-09 1QG1 1 VERSN REVDAT 3 01-APR-03 1QG1 1 JRNL REVDAT 2 17-JUN-99 1QG1 1 JRNL REVDAT 1 27-APR-99 1QG1 0 JRNL AUTH K.OGURA,S.TSUCHIYA,H.TERASAWA,S.YUZAWA,H.HATANAKA, JRNL AUTH 2 V.MANDIYAN,J.SCHLESSINGER,F.INAGAKI JRNL TITL SOLUTION STRUCTURE OF THE SH2 DOMAIN OF GRB2 JRNL TITL 2 COMPLEXED WITH THE SHC-DERIVED JRNL TITL 3 PHOSPHOTYROSINE-CONTAINING PEPTIDE. JRNL REF J.MOL.BIOL. V. 289 439 1999 JRNL REFN ISSN 0022-2836 JRNL PMID 10356320 JRNL DOI 10.1006/JMBI.1999.2792 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.1 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1QG1 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 21-APR-99. REMARK 100 THE RCSB ID CODE IS RCSB000886. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 301 REMARK 210 PH : 6.3 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 : X-PLOR REMARK 210 METHOD USED : NULL REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 100 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : LOWEST ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: MEAN STRUCTURE. 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 GLY E 1 N - CA - C ANGL. DEV. = 24.3 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 E 2 -147.83 -162.15 REMARK 500 TRP E 5 -37.80 -149.88 REMARK 500 LYS E 9 68.77 -118.72 REMARK 500 GLN E 22 177.35 -51.53 REMARK 500 ALA E 27 137.34 -36.48 REMARK 500 GLU E 32 57.66 -96.62 REMARK 500 SER E 33 94.84 34.53 REMARK 500 SER E 41 -177.85 -170.71 REMARK 500 ASN E 48 -23.33 158.47 REMARK 500 LEU E 65 57.22 -176.41 REMARK 500 TRP E 66 -78.01 159.18 REMARK 500 VAL E 67 -74.02 -133.58 REMARK 500 SER E 84 -170.55 -52.55 REMARK 500 VAL E 85 -36.62 -138.93 REMARK 500 GLU E 97 -175.93 41.34 REMARK 500 GLN E 98 -14.05 73.99 REMARK 500 VAL E 99 169.47 48.12 REMARK 500 GLN E 101 112.33 1.10 REMARK 500 GLN E 102 10.73 98.69 REMARK 500 VAL I 8 123.18 -9.30 REMARK 500 ASN I 10 166.57 -43.03 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 E 12 0.32 SIDE_CHAIN REMARK 500 ARG E 81 0.28 SIDE_CHAIN REMARK 500 ARG E 87 0.22 SIDE_CHAIN REMARK 500 ARG E 94 0.27 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL DBREF 1QG1 E 3 104 UNP P62993 GRB2_HUMAN 58 159 DBREF 1QG1 I 1 13 UNP P29353 SHC1_HUMAN 423 435 SEQADV 1QG1 GLY E 1 UNP P62993 CLONING ARTIFACT SEQADV 1QG1 SER E 2 UNP P62993 CLONING ARTIFACT SEQADV 1QG1 PTR I 5 UNP P29353 TYR 427 MODIFIED RESIDUE SEQRES 1 E 104 GLY SER HIS PRO TRP PHE PHE GLY LYS ILE PRO ARG ALA SEQRES 2 E 104 LYS ALA GLU GLU MET LEU SER LYS GLN ARG HIS ASP GLY SEQRES 3 E 104 ALA PHE LEU ILE ARG GLU SER GLU SER ALA PRO GLY ASP SEQRES 4 E 104 PHE SER LEU SER VAL LYS PHE GLY ASN ASP VAL GLN HIS SEQRES 5 E 104 PHE LYS VAL LEU ARG ASP GLY ALA GLY LYS TYR PHE LEU SEQRES 6 E 104 TRP VAL VAL LYS PHE ASN SER LEU ASN GLU LEU VAL ASP SEQRES 7 E 104 TYR HIS ARG SER THR SER VAL SER ARG ASN GLN GLN ILE SEQRES 8 E 104 PHE LEU ARG ASP ILE GLU GLN VAL PRO GLN GLN PRO THR SEQRES 1 I 13 ASP ASP PRO SER PTR VAL ASN VAL GLN ASN LEU ASP LYS MODRES 1QG1 PTR I 5 TYR O-PHOSPHOTYROSINE HET PTR I 5 24 HETNAM PTR O-PHOSPHOTYROSINE HETSYN PTR PHOSPHONOTYROSINE FORMUL 2 PTR C9 H12 N O6 P HELIX 1 1 PRO E 11 LEU E 19 1 9 HELIX 2 2 SER E 72 THR E 83 1 12 SHEET 1 A 4 ASP E 49 LYS E 54 0 SHEET 2 A 4 SER E 41 PHE E 46 -1 O LEU E 42 N PHE E 53 SHEET 3 A 4 ALA E 27 ARG E 31 -1 O ALA E 27 N LYS E 45 SHEET 4 A 4 PHE E 6 GLY E 8 1 N PHE E 7 O ILE E 30 SHEET 1 A1 4 ASP E 49 LYS E 54 0 SHEET 2 A1 4 SER E 41 PHE E 46 -1 O LEU E 42 N PHE E 53 SHEET 3 A1 4 ALA E 27 ARG E 31 -1 O ALA E 27 N LYS E 45 SHEET 4 A1 4 ARG E 94 ASP E 95 1 O ARG E 94 N PHE E 28 SHEET 1 B 3 LEU E 56 ARG E 57 0 SHEET 2 B 3 TYR E 63 PHE E 64 -1 O PHE E 64 N LEU E 56 SHEET 3 B 3 LYS E 69 PHE E 70 -1 O PHE E 70 N TYR E 63 LINK C SER I 4 N PTR I 5 1555 1555 1.30 LINK C PTR I 5 N VAL I 6 1555 1555 1.31 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 NoAdj-H: I 5 PTR HN2 : I 5 PTR N : I 4 SER C :(H bumps) USER MOD Set 1.1: E 43 SER OG : rot -60:sc= -4.27! USER MOD Set 1.2: E 52 HIS : no HE2:sc= -5.17! C(o=-9.4!,f=-22!) USER MOD Set 2.1: E 33 SER OG : rot -11:sc= -0.324 USER MOD Set 2.2: E 41 SER OG : rot -40:sc= -0.344! USER MOD Single : E 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : E 2 SER OG : rot 180:sc= -0.84 USER MOD Single : E 3 HIS : no HD1:sc= -4.94! C(o=-4.9!,f=-4.7!) USER MOD Single : E 9 LYS NZ :NH3+ -164:sc= 0.625 (180deg=-0.0439) USER MOD Single : E 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : E 18 MET CE :methyl 145:sc= -10.2! (180deg=-14.3!) USER MOD Single : E 20 SER OG : rot 180:sc= 0 USER MOD Single : E 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : E 22 GLN : amide:sc= -9.6! C(o=-9.6!,f=-12!) USER MOD Single : E 24 HIS : no HD1:sc= -8.71! C(o=-8.7!,f=-9.4!) USER MOD Single : E 35 SER OG : rot -105:sc= 0.4 USER MOD Single : E 45 LYS NZ :NH3+ -177:sc= 0.383 (180deg=0.378) USER MOD Single : E 48 ASN : amide:sc= -1.67! C(o=-1.7!,f=-3.1!) USER MOD Single : E 51 GLN : amide:sc= -21.4! C(o=-21!,f=-21!) USER MOD Single : E 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : E 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : E 63 TYR OH : rot 180:sc= 0 USER MOD Single : E 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : E 71 ASN :FLIP amide:sc= -0.0455 F(o=-0.78,f=-0.045) USER MOD Single : E 72 SER OG : rot 180:sc= 0 USER MOD Single : E 74 ASN :FLIP amide:sc= -0.334 F(o=-1.2,f=-0.33) USER MOD Single : E 79 TYR OH : rot 180:sc= 0 USER MOD Single : E 80 HIS :FLIP no HE2:sc= -3.38! C(o=-4.7!,f=-3.4!) USER MOD Single : E 82 SER OG : rot 180:sc= 0 USER MOD Single : E 83 THR OG1 : rot 157:sc= 0.71 USER MOD Single : E 84 SER OG : rot 180:sc= 0.0636 USER MOD Single : E 86 SER OG : rot 180:sc= 0 USER MOD Single : E 88 ASN : amide:sc= -0.0518 X(o=-0.052,f=-0.3) USER MOD Single : E 89 GLN : amide:sc= -0.49 X(o=-0.49,f=0) USER MOD Single : E 90 GLN : amide:sc= -0.173 X(o=-0.17,f=0) USER MOD Single : E 98 GLN : amide:sc= -0.594 X(o=-0.59,f=-0.76) USER MOD Single : E 101 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : E 102 GLN : amide:sc= -3.31! C(o=-3.3!,f=-3.4!) USER MOD Single : E 104 THR OG1 : rot 68:sc= 1.09 USER MOD Single : I 1 ASP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : I 4 SER OG : rot 180:sc= -0.194 USER MOD Single : I 7 ASN : amide:sc= -12.8! C(o=-13!,f=-22!) USER MOD Single : I 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : I 10 ASN : amide:sc= -0.103 X(o=-0.1,f=-0.004) USER MOD Single : I 13 LYS NZ :NH3+ 175:sc= -1.26 (180deg=-1.32) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY E 1 2.915 -16.269 -9.033 1.00 0.00 N ATOM 2 CA GLY E 1 3.255 -14.886 -8.618 1.00 0.00 C ATOM 3 C GLY E 1 2.642 -13.498 -8.738 1.00 0.00 C ATOM 4 O GLY E 1 2.753 -12.845 -9.757 1.00 0.00 O ATOM 0 H1 GLY E 1 3.663 -16.920 -8.718 1.00 0.00 H new ATOM 0 H2 GLY E 1 2.010 -16.548 -8.603 1.00 0.00 H new ATOM 0 H3 GLY E 1 2.834 -16.311 -10.069 1.00 0.00 H new ATOM 0 HA2 GLY E 1 3.393 -14.990 -7.542 1.00 0.00 H new ATOM 0 HA3 GLY E 1 4.244 -14.745 -9.054 1.00 0.00 H new ATOM 10 N SER E 2 1.994 -13.034 -7.703 1.00 0.00 N ATOM 11 CA SER E 2 1.371 -11.682 -7.758 1.00 0.00 C ATOM 12 C SER E 2 1.077 -11.198 -6.336 1.00 0.00 C ATOM 13 O SER E 2 1.789 -11.513 -5.404 1.00 0.00 O ATOM 14 CB SER E 2 0.066 -11.755 -8.552 1.00 0.00 C ATOM 15 OG SER E 2 0.086 -12.908 -9.383 1.00 0.00 O ATOM 0 H SER E 2 1.870 -13.534 -6.822 1.00 0.00 H new ATOM 0 HA SER E 2 2.054 -10.986 -8.245 1.00 0.00 H new ATOM 0 HB2 SER E 2 -0.785 -11.797 -7.872 1.00 0.00 H new ATOM 0 HB3 SER E 2 -0.055 -10.857 -9.159 1.00 0.00 H new ATOM 0 HG SER E 2 -0.750 -12.959 -9.892 1.00 0.00 H new ATOM 21 N HIS E 3 0.034 -10.432 -6.163 1.00 0.00 N ATOM 22 CA HIS E 3 -0.303 -9.928 -4.803 1.00 0.00 C ATOM 23 C HIS E 3 -1.821 -9.763 -4.682 1.00 0.00 C ATOM 24 O HIS E 3 -2.362 -8.735 -5.038 1.00 0.00 O ATOM 25 CB HIS E 3 0.376 -8.575 -4.584 1.00 0.00 C ATOM 26 CG HIS E 3 1.848 -8.784 -4.362 1.00 0.00 C ATOM 27 ND1 HIS E 3 2.743 -8.906 -5.414 1.00 0.00 N ATOM 28 CD2 HIS E 3 2.598 -8.893 -3.217 1.00 0.00 C ATOM 29 CE1 HIS E 3 3.968 -9.082 -4.885 1.00 0.00 C ATOM 30 NE2 HIS E 3 3.937 -9.081 -3.550 1.00 0.00 N ATOM 0 H HIS E 3 -0.599 -10.134 -6.905 1.00 0.00 H new ATOM 0 HA HIS E 3 0.045 -10.638 -4.053 1.00 0.00 H new ATOM 0 HB2 HIS E 3 0.215 -7.931 -5.449 1.00 0.00 H new ATOM 0 HB3 HIS E 3 -0.064 -8.070 -3.724 1.00 0.00 H new ATOM 0 HD2 HIS E 3 2.209 -8.841 -2.211 1.00 0.00 H new ATOM 0 HE1 HIS E 3 4.867 -9.209 -5.470 1.00 0.00 H new ATOM 0 HE2 HIS E 3 4.725 -9.194 -2.912 1.00 0.00 H new ATOM 38 N PRO E 4 -2.460 -10.787 -4.182 1.00 0.00 N ATOM 39 CA PRO E 4 -3.922 -10.804 -3.996 1.00 0.00 C ATOM 40 C PRO E 4 -4.319 -9.991 -2.760 1.00 0.00 C ATOM 41 O PRO E 4 -5.473 -9.937 -2.384 1.00 0.00 O ATOM 42 CB PRO E 4 -4.243 -12.287 -3.804 1.00 0.00 C ATOM 43 CG PRO E 4 -2.933 -12.958 -3.334 1.00 0.00 C ATOM 44 CD PRO E 4 -1.782 -12.025 -3.753 1.00 0.00 C ATOM 0 HA PRO E 4 -4.464 -10.361 -4.832 1.00 0.00 H new ATOM 0 HB2 PRO E 4 -5.035 -12.421 -3.067 1.00 0.00 H new ATOM 0 HB3 PRO E 4 -4.595 -12.732 -4.735 1.00 0.00 H new ATOM 0 HG2 PRO E 4 -2.939 -13.104 -2.254 1.00 0.00 H new ATOM 0 HG3 PRO E 4 -2.818 -13.942 -3.788 1.00 0.00 H new ATOM 0 HD2 PRO E 4 -1.098 -11.839 -2.925 1.00 0.00 H new ATOM 0 HD3 PRO E 4 -1.193 -12.457 -4.562 1.00 0.00 H new ATOM 52 N TRP E 5 -3.370 -9.358 -2.128 1.00 0.00 N ATOM 53 CA TRP E 5 -3.688 -8.549 -0.917 1.00 0.00 C ATOM 54 C TRP E 5 -2.701 -7.384 -0.811 1.00 0.00 C ATOM 55 O TRP E 5 -3.060 -6.290 -0.426 1.00 0.00 O ATOM 56 CB TRP E 5 -3.570 -9.430 0.329 1.00 0.00 C ATOM 57 CG TRP E 5 -2.344 -10.268 0.207 1.00 0.00 C ATOM 58 CD1 TRP E 5 -2.303 -11.507 -0.330 1.00 0.00 C ATOM 59 CD2 TRP E 5 -0.982 -9.951 0.617 1.00 0.00 C ATOM 60 NE1 TRP E 5 -1.000 -11.968 -0.286 1.00 0.00 N ATOM 61 CE2 TRP E 5 -0.150 -11.044 0.283 1.00 0.00 C ATOM 62 CE3 TRP E 5 -0.390 -8.832 1.235 1.00 0.00 C ATOM 63 CZ2 TRP E 5 1.218 -11.026 0.546 1.00 0.00 C ATOM 64 CZ3 TRP E 5 0.985 -8.816 1.498 1.00 0.00 C ATOM 65 CH2 TRP E 5 1.786 -9.910 1.148 1.00 0.00 C ATOM 0 H TRP E 5 -2.386 -9.366 -2.398 1.00 0.00 H new ATOM 0 HA TRP E 5 -4.704 -8.161 -0.994 1.00 0.00 H new ATOM 0 HB2 TRP E 5 -3.518 -8.812 1.225 1.00 0.00 H new ATOM 0 HB3 TRP E 5 -4.452 -10.063 0.429 1.00 0.00 H new ATOM 0 HD1 TRP E 5 -3.149 -12.048 -0.728 1.00 0.00 H new ATOM 0 HE1 TRP E 5 -0.704 -12.881 -0.632 1.00 0.00 H new ATOM 0 HE3 TRP E 5 -0.999 -7.983 1.507 1.00 0.00 H new ATOM 0 HZ2 TRP E 5 1.833 -11.874 0.284 1.00 0.00 H new ATOM 0 HZ3 TRP E 5 1.431 -7.955 1.974 1.00 0.00 H new ATOM 0 HH2 TRP E 5 2.847 -9.886 1.346 1.00 0.00 H new ATOM 76 N PHE E 6 -1.457 -7.607 -1.149 1.00 0.00 N ATOM 77 CA PHE E 6 -0.461 -6.502 -1.061 1.00 0.00 C ATOM 78 C PHE E 6 -0.821 -5.412 -2.067 1.00 0.00 C ATOM 79 O PHE E 6 -1.437 -5.664 -3.084 1.00 0.00 O ATOM 80 CB PHE E 6 0.947 -7.025 -1.366 1.00 0.00 C ATOM 81 CG PHE E 6 1.958 -5.929 -1.099 1.00 0.00 C ATOM 82 CD1 PHE E 6 1.821 -5.114 0.030 1.00 0.00 C ATOM 83 CD2 PHE E 6 3.031 -5.728 -1.977 1.00 0.00 C ATOM 84 CE1 PHE E 6 2.752 -4.099 0.287 1.00 0.00 C ATOM 85 CE2 PHE E 6 3.964 -4.712 -1.722 1.00 0.00 C ATOM 86 CZ PHE E 6 3.823 -3.898 -0.590 1.00 0.00 C ATOM 0 H PHE E 6 -1.091 -8.500 -1.480 1.00 0.00 H new ATOM 0 HA PHE E 6 -0.477 -6.096 -0.050 1.00 0.00 H new ATOM 0 HB2 PHE E 6 1.166 -7.896 -0.748 1.00 0.00 H new ATOM 0 HB3 PHE E 6 1.010 -7.348 -2.405 1.00 0.00 H new ATOM 0 HD1 PHE E 6 0.994 -5.268 0.707 1.00 0.00 H new ATOM 0 HD2 PHE E 6 3.140 -6.355 -2.850 1.00 0.00 H new ATOM 0 HE1 PHE E 6 2.643 -3.473 1.160 1.00 0.00 H new ATOM 0 HE2 PHE E 6 4.791 -4.557 -2.398 1.00 0.00 H new ATOM 0 HZ PHE E 6 4.541 -3.115 -0.395 1.00 0.00 H new ATOM 96 N PHE E 7 -0.435 -4.204 -1.788 1.00 0.00 N ATOM 97 CA PHE E 7 -0.740 -3.085 -2.715 1.00 0.00 C ATOM 98 C PHE E 7 0.566 -2.502 -3.242 1.00 0.00 C ATOM 99 O PHE E 7 0.894 -2.634 -4.404 1.00 0.00 O ATOM 100 CB PHE E 7 -1.522 -2.005 -1.970 1.00 0.00 C ATOM 101 CG PHE E 7 -2.995 -2.170 -2.252 1.00 0.00 C ATOM 102 CD1 PHE E 7 -3.441 -2.313 -3.571 1.00 0.00 C ATOM 103 CD2 PHE E 7 -3.916 -2.175 -1.196 1.00 0.00 C ATOM 104 CE1 PHE E 7 -4.807 -2.463 -3.836 1.00 0.00 C ATOM 105 CE2 PHE E 7 -5.283 -2.324 -1.462 1.00 0.00 C ATOM 106 CZ PHE E 7 -5.728 -2.468 -2.782 1.00 0.00 C ATOM 0 H PHE E 7 0.084 -3.941 -0.950 1.00 0.00 H new ATOM 0 HA PHE E 7 -1.339 -3.451 -3.549 1.00 0.00 H new ATOM 0 HB2 PHE E 7 -1.335 -2.078 -0.899 1.00 0.00 H new ATOM 0 HB3 PHE E 7 -1.189 -1.016 -2.285 1.00 0.00 H new ATOM 0 HD1 PHE E 7 -2.731 -2.308 -4.385 1.00 0.00 H new ATOM 0 HD2 PHE E 7 -3.572 -2.064 -0.178 1.00 0.00 H new ATOM 0 HE1 PHE E 7 -5.151 -2.575 -4.854 1.00 0.00 H new ATOM 0 HE2 PHE E 7 -5.994 -2.328 -0.649 1.00 0.00 H new ATOM 0 HZ PHE E 7 -6.782 -2.583 -2.987 1.00 0.00 H new ATOM 116 N GLY E 8 1.315 -1.863 -2.395 1.00 0.00 N ATOM 117 CA GLY E 8 2.605 -1.274 -2.842 1.00 0.00 C ATOM 118 C GLY E 8 2.803 0.088 -2.184 1.00 0.00 C ATOM 119 O GLY E 8 3.261 0.184 -1.064 1.00 0.00 O ATOM 0 H GLY E 8 1.091 -1.722 -1.410 1.00 0.00 H new ATOM 0 HA2 GLY E 8 3.429 -1.938 -2.581 1.00 0.00 H new ATOM 0 HA3 GLY E 8 2.612 -1.169 -3.927 1.00 0.00 H new ATOM 123 N LYS E 9 2.471 1.146 -2.870 1.00 0.00 N ATOM 124 CA LYS E 9 2.658 2.496 -2.274 1.00 0.00 C ATOM 125 C LYS E 9 1.318 3.215 -2.152 1.00 0.00 C ATOM 126 O LYS E 9 1.069 4.193 -2.829 1.00 0.00 O ATOM 127 CB LYS E 9 3.578 3.323 -3.167 1.00 0.00 C ATOM 128 CG LYS E 9 4.796 2.486 -3.564 1.00 0.00 C ATOM 129 CD LYS E 9 5.932 2.736 -2.570 1.00 0.00 C ATOM 130 CE LYS E 9 6.290 1.429 -1.860 1.00 0.00 C ATOM 131 NZ LYS E 9 7.345 0.717 -2.636 1.00 0.00 N ATOM 0 H LYS E 9 2.081 1.134 -3.812 1.00 0.00 H new ATOM 0 HA LYS E 9 3.097 2.380 -1.283 1.00 0.00 H new ATOM 0 HB2 LYS E 9 3.041 3.648 -4.058 1.00 0.00 H new ATOM 0 HB3 LYS E 9 3.898 4.223 -2.642 1.00 0.00 H new ATOM 0 HG2 LYS E 9 4.535 1.428 -3.576 1.00 0.00 H new ATOM 0 HG3 LYS E 9 5.117 2.747 -4.573 1.00 0.00 H new ATOM 0 HD2 LYS E 9 6.805 3.129 -3.091 1.00 0.00 H new ATOM 0 HD3 LYS E 9 5.631 3.488 -1.840 1.00 0.00 H new ATOM 0 HE2 LYS E 9 6.643 1.636 -0.850 1.00 0.00 H new ATOM 0 HE3 LYS E 9 5.405 0.799 -1.765 1.00 0.00 H new ATOM 0 HZ1 LYS E 9 7.399 -0.273 -2.322 1.00 0.00 H new ATOM 0 HZ2 LYS E 9 7.110 0.746 -3.649 1.00 0.00 H new ATOM 0 HZ3 LYS E 9 8.263 1.180 -2.480 1.00 0.00 H new ATOM 145 N ILE E 10 0.454 2.760 -1.289 1.00 0.00 N ATOM 146 CA ILE E 10 -0.850 3.446 -1.134 1.00 0.00 C ATOM 147 C ILE E 10 -1.012 3.948 0.294 1.00 0.00 C ATOM 148 O ILE E 10 -0.259 3.606 1.183 1.00 0.00 O ATOM 149 CB ILE E 10 -1.976 2.484 -1.454 1.00 0.00 C ATOM 150 CG1 ILE E 10 -2.651 2.034 -0.157 1.00 0.00 C ATOM 151 CG2 ILE E 10 -1.395 1.288 -2.177 1.00 0.00 C ATOM 152 CD1 ILE E 10 -3.560 0.837 -0.442 1.00 0.00 C ATOM 0 H ILE E 10 0.596 1.947 -0.689 1.00 0.00 H new ATOM 0 HA ILE E 10 -0.884 4.293 -1.820 1.00 0.00 H new ATOM 0 HB ILE E 10 -2.720 2.971 -2.084 1.00 0.00 H new ATOM 0 HG12 ILE E 10 -1.897 1.764 0.583 1.00 0.00 H new ATOM 0 HG13 ILE E 10 -3.233 2.853 0.266 1.00 0.00 H new ATOM 0 HG21 ILE E 10 -2.193 0.584 -2.415 1.00 0.00 H new ATOM 0 HG22 ILE E 10 -0.915 1.618 -3.098 1.00 0.00 H new ATOM 0 HG23 ILE E 10 -0.659 0.799 -1.539 1.00 0.00 H new ATOM 0 HD11 ILE E 10 -4.041 0.517 0.482 1.00 0.00 H new ATOM 0 HD12 ILE E 10 -4.322 1.123 -1.167 1.00 0.00 H new ATOM 0 HD13 ILE E 10 -2.966 0.017 -0.845 1.00 0.00 H new ATOM 164 N PRO E 11 -2.003 4.759 0.433 1.00 0.00 N ATOM 165 CA PRO E 11 -2.371 5.399 1.699 1.00 0.00 C ATOM 166 C PRO E 11 -3.176 4.450 2.581 1.00 0.00 C ATOM 167 O PRO E 11 -4.073 3.773 2.120 1.00 0.00 O ATOM 168 CB PRO E 11 -3.239 6.571 1.263 1.00 0.00 C ATOM 169 CG PRO E 11 -3.765 6.223 -0.143 1.00 0.00 C ATOM 170 CD PRO E 11 -2.860 5.112 -0.699 1.00 0.00 C ATOM 0 HA PRO E 11 -1.502 5.696 2.286 1.00 0.00 H new ATOM 0 HB2 PRO E 11 -4.064 6.724 1.959 1.00 0.00 H new ATOM 0 HB3 PRO E 11 -2.662 7.496 1.244 1.00 0.00 H new ATOM 0 HG2 PRO E 11 -4.801 5.888 -0.095 1.00 0.00 H new ATOM 0 HG3 PRO E 11 -3.742 7.099 -0.791 1.00 0.00 H new ATOM 0 HD2 PRO E 11 -3.442 4.257 -1.042 1.00 0.00 H new ATOM 0 HD3 PRO E 11 -2.275 5.461 -1.550 1.00 0.00 H new ATOM 178 N ARG E 12 -2.881 4.404 3.848 1.00 0.00 N ATOM 179 CA ARG E 12 -3.662 3.507 4.738 1.00 0.00 C ATOM 180 C ARG E 12 -5.143 3.761 4.486 1.00 0.00 C ATOM 181 O ARG E 12 -5.936 2.848 4.472 1.00 0.00 O ATOM 182 CB ARG E 12 -3.337 3.785 6.211 1.00 0.00 C ATOM 183 CG ARG E 12 -2.874 5.232 6.388 1.00 0.00 C ATOM 184 CD ARG E 12 -2.871 5.585 7.877 1.00 0.00 C ATOM 185 NE ARG E 12 -1.765 6.544 8.154 1.00 0.00 N ATOM 186 CZ ARG E 12 -1.385 7.384 7.230 1.00 0.00 C ATOM 187 NH1 ARG E 12 -1.958 8.553 7.137 1.00 0.00 N ATOM 188 NH2 ARG E 12 -0.435 7.054 6.399 1.00 0.00 N ATOM 0 H ARG E 12 -2.142 4.942 4.301 1.00 0.00 H new ATOM 0 HA ARG E 12 -3.406 2.469 4.524 1.00 0.00 H new ATOM 0 HB2 ARG E 12 -4.218 3.600 6.826 1.00 0.00 H new ATOM 0 HB3 ARG E 12 -2.559 3.103 6.554 1.00 0.00 H new ATOM 0 HG2 ARG E 12 -1.875 5.360 5.970 1.00 0.00 H new ATOM 0 HG3 ARG E 12 -3.535 5.906 5.844 1.00 0.00 H new ATOM 0 HD2 ARG E 12 -3.828 6.024 8.160 1.00 0.00 H new ATOM 0 HD3 ARG E 12 -2.744 4.683 8.476 1.00 0.00 H new ATOM 0 HE ARG E 12 -1.305 6.544 9.065 1.00 0.00 H new ATOM 0 HH11 ARG E 12 -2.702 8.809 7.786 1.00 0.00 H new ATOM 0 HH12 ARG E 12 -1.662 9.210 6.415 1.00 0.00 H new ATOM 0 HH21 ARG E 12 0.011 6.139 6.471 1.00 0.00 H new ATOM 0 HH22 ARG E 12 -0.138 7.711 5.677 1.00 0.00 H new ATOM 202 N ALA E 13 -5.514 4.998 4.276 1.00 0.00 N ATOM 203 CA ALA E 13 -6.947 5.320 4.013 1.00 0.00 C ATOM 204 C ALA E 13 -7.425 4.559 2.774 1.00 0.00 C ATOM 205 O ALA E 13 -8.505 4.004 2.760 1.00 0.00 O ATOM 206 CB ALA E 13 -7.104 6.821 3.775 1.00 0.00 C ATOM 0 H ALA E 13 -4.884 5.800 4.276 1.00 0.00 H new ATOM 0 HA ALA E 13 -7.544 5.025 4.876 1.00 0.00 H new ATOM 0 HB1 ALA E 13 -8.152 7.051 3.583 1.00 0.00 H new ATOM 0 HB2 ALA E 13 -6.768 7.366 4.657 1.00 0.00 H new ATOM 0 HB3 ALA E 13 -6.504 7.118 2.915 1.00 0.00 H new ATOM 212 N LYS E 14 -6.631 4.518 1.735 1.00 0.00 N ATOM 213 CA LYS E 14 -7.057 3.769 0.519 1.00 0.00 C ATOM 214 C LYS E 14 -7.332 2.334 0.937 1.00 0.00 C ATOM 215 O LYS E 14 -8.294 1.724 0.524 1.00 0.00 O ATOM 216 CB LYS E 14 -5.944 3.789 -0.538 1.00 0.00 C ATOM 217 CG LYS E 14 -6.244 2.751 -1.624 1.00 0.00 C ATOM 218 CD LYS E 14 -7.404 3.241 -2.494 1.00 0.00 C ATOM 219 CE LYS E 14 -6.953 4.455 -3.307 1.00 0.00 C ATOM 220 NZ LYS E 14 -7.731 4.519 -4.576 1.00 0.00 N ATOM 0 H LYS E 14 -5.716 4.966 1.677 1.00 0.00 H new ATOM 0 HA LYS E 14 -7.946 4.228 0.088 1.00 0.00 H new ATOM 0 HB2 LYS E 14 -5.868 4.782 -0.981 1.00 0.00 H new ATOM 0 HB3 LYS E 14 -4.983 3.574 -0.072 1.00 0.00 H new ATOM 0 HG2 LYS E 14 -5.359 2.586 -2.239 1.00 0.00 H new ATOM 0 HG3 LYS E 14 -6.497 1.794 -1.167 1.00 0.00 H new ATOM 0 HD2 LYS E 14 -7.734 2.445 -3.161 1.00 0.00 H new ATOM 0 HD3 LYS E 14 -8.256 3.505 -1.868 1.00 0.00 H new ATOM 0 HE2 LYS E 14 -7.102 5.368 -2.730 1.00 0.00 H new ATOM 0 HE3 LYS E 14 -5.887 4.385 -3.524 1.00 0.00 H new ATOM 0 HZ1 LYS E 14 -7.425 5.344 -5.130 1.00 0.00 H new ATOM 0 HZ2 LYS E 14 -7.568 3.652 -5.127 1.00 0.00 H new ATOM 0 HZ3 LYS E 14 -8.744 4.605 -4.358 1.00 0.00 H new ATOM 234 N ALA E 15 -6.492 1.801 1.774 1.00 0.00 N ATOM 235 CA ALA E 15 -6.698 0.409 2.250 1.00 0.00 C ATOM 236 C ALA E 15 -7.894 0.400 3.204 1.00 0.00 C ATOM 237 O ALA E 15 -8.550 -0.605 3.395 1.00 0.00 O ATOM 238 CB ALA E 15 -5.437 -0.065 2.975 1.00 0.00 C ATOM 0 H ALA E 15 -5.669 2.271 2.150 1.00 0.00 H new ATOM 0 HA ALA E 15 -6.893 -0.261 1.412 1.00 0.00 H new ATOM 0 HB1 ALA E 15 -5.582 -1.086 3.327 1.00 0.00 H new ATOM 0 HB2 ALA E 15 -4.590 -0.034 2.290 1.00 0.00 H new ATOM 0 HB3 ALA E 15 -5.239 0.587 3.826 1.00 0.00 H new ATOM 244 N GLU E 16 -8.195 1.533 3.779 1.00 0.00 N ATOM 245 CA GLU E 16 -9.363 1.635 4.696 1.00 0.00 C ATOM 246 C GLU E 16 -10.618 1.815 3.852 1.00 0.00 C ATOM 247 O GLU E 16 -11.729 1.719 4.334 1.00 0.00 O ATOM 248 CB GLU E 16 -9.202 2.855 5.605 1.00 0.00 C ATOM 249 CG GLU E 16 -7.927 2.711 6.427 1.00 0.00 C ATOM 250 CD GLU E 16 -8.205 3.095 7.882 1.00 0.00 C ATOM 251 OE1 GLU E 16 -9.187 2.617 8.425 1.00 0.00 O ATOM 252 OE2 GLU E 16 -7.431 3.864 8.428 1.00 0.00 O ATOM 0 H GLU E 16 -7.675 2.401 3.650 1.00 0.00 H new ATOM 0 HA GLU E 16 -9.433 0.736 5.308 1.00 0.00 H new ATOM 0 HB2 GLU E 16 -9.161 3.765 5.006 1.00 0.00 H new ATOM 0 HB3 GLU E 16 -10.065 2.947 6.265 1.00 0.00 H new ATOM 0 HG2 GLU E 16 -7.563 1.685 6.375 1.00 0.00 H new ATOM 0 HG3 GLU E 16 -7.144 3.348 6.016 1.00 0.00 H new ATOM 259 N GLU E 17 -10.443 2.079 2.587 1.00 0.00 N ATOM 260 CA GLU E 17 -11.621 2.270 1.699 1.00 0.00 C ATOM 261 C GLU E 17 -11.959 0.942 1.036 1.00 0.00 C ATOM 262 O GLU E 17 -13.086 0.489 1.065 1.00 0.00 O ATOM 263 CB GLU E 17 -11.291 3.309 0.626 1.00 0.00 C ATOM 264 CG GLU E 17 -11.840 4.670 1.054 1.00 0.00 C ATOM 265 CD GLU E 17 -12.384 5.412 -0.169 1.00 0.00 C ATOM 266 OE1 GLU E 17 -13.375 4.960 -0.718 1.00 0.00 O ATOM 267 OE2 GLU E 17 -11.800 6.418 -0.534 1.00 0.00 O ATOM 0 H GLU E 17 -9.535 2.170 2.131 1.00 0.00 H new ATOM 0 HA GLU E 17 -12.472 2.618 2.284 1.00 0.00 H new ATOM 0 HB2 GLU E 17 -10.212 3.369 0.481 1.00 0.00 H new ATOM 0 HB3 GLU E 17 -11.725 3.013 -0.329 1.00 0.00 H new ATOM 0 HG2 GLU E 17 -12.630 4.539 1.793 1.00 0.00 H new ATOM 0 HG3 GLU E 17 -11.054 5.258 1.529 1.00 0.00 H new ATOM 274 N MET E 18 -10.989 0.307 0.447 1.00 0.00 N ATOM 275 CA MET E 18 -11.254 -0.996 -0.205 1.00 0.00 C ATOM 276 C MET E 18 -11.641 -2.005 0.862 1.00 0.00 C ATOM 277 O MET E 18 -12.251 -3.013 0.586 1.00 0.00 O ATOM 278 CB MET E 18 -9.997 -1.467 -0.931 1.00 0.00 C ATOM 279 CG MET E 18 -9.636 -0.447 -2.012 1.00 0.00 C ATOM 280 SD MET E 18 -11.062 -0.195 -3.104 1.00 0.00 S ATOM 281 CE MET E 18 -11.902 1.086 -2.132 1.00 0.00 C ATOM 0 H MET E 18 -10.025 0.636 0.390 1.00 0.00 H new ATOM 0 HA MET E 18 -12.064 -0.895 -0.928 1.00 0.00 H new ATOM 0 HB2 MET E 18 -9.173 -1.576 -0.226 1.00 0.00 H new ATOM 0 HB3 MET E 18 -10.165 -2.447 -1.378 1.00 0.00 H new ATOM 0 HG2 MET E 18 -9.344 0.498 -1.553 1.00 0.00 H new ATOM 0 HG3 MET E 18 -8.780 -0.799 -2.588 1.00 0.00 H new ATOM 0 HE1 MET E 18 -12.387 1.794 -2.805 1.00 0.00 H new ATOM 0 HE2 MET E 18 -12.652 0.623 -1.491 1.00 0.00 H new ATOM 0 HE3 MET E 18 -11.173 1.612 -1.516 1.00 0.00 H new ATOM 291 N LEU E 19 -11.301 -1.735 2.082 1.00 0.00 N ATOM 292 CA LEU E 19 -11.664 -2.672 3.167 1.00 0.00 C ATOM 293 C LEU E 19 -13.063 -2.345 3.657 1.00 0.00 C ATOM 294 O LEU E 19 -13.746 -3.168 4.236 1.00 0.00 O ATOM 295 CB LEU E 19 -10.688 -2.506 4.319 1.00 0.00 C ATOM 296 CG LEU E 19 -9.550 -3.475 4.111 1.00 0.00 C ATOM 297 CD1 LEU E 19 -8.554 -3.361 5.262 1.00 0.00 C ATOM 298 CD2 LEU E 19 -10.141 -4.877 4.059 1.00 0.00 C ATOM 0 H LEU E 19 -10.787 -0.905 2.376 1.00 0.00 H new ATOM 0 HA LEU E 19 -11.628 -3.696 2.796 1.00 0.00 H new ATOM 0 HB2 LEU E 19 -10.315 -1.483 4.357 1.00 0.00 H new ATOM 0 HB3 LEU E 19 -11.184 -2.700 5.270 1.00 0.00 H new ATOM 0 HG LEU E 19 -9.021 -3.254 3.184 1.00 0.00 H new ATOM 0 HD11 LEU E 19 -7.735 -4.063 5.105 1.00 0.00 H new ATOM 0 HD12 LEU E 19 -8.159 -2.346 5.302 1.00 0.00 H new ATOM 0 HD13 LEU E 19 -9.056 -3.592 6.202 1.00 0.00 H new ATOM 0 HD21 LEU E 19 -9.342 -5.603 3.909 1.00 0.00 H new ATOM 0 HD22 LEU E 19 -10.654 -5.090 4.997 1.00 0.00 H new ATOM 0 HD23 LEU E 19 -10.850 -4.942 3.234 1.00 0.00 H new ATOM 310 N SER E 20 -13.484 -1.136 3.447 1.00 0.00 N ATOM 311 CA SER E 20 -14.830 -0.731 3.919 1.00 0.00 C ATOM 312 C SER E 20 -15.916 -1.357 3.042 1.00 0.00 C ATOM 313 O SER E 20 -17.010 -1.611 3.507 1.00 0.00 O ATOM 314 CB SER E 20 -14.956 0.792 3.879 1.00 0.00 C ATOM 315 OG SER E 20 -16.178 1.178 4.494 1.00 0.00 O ATOM 0 H SER E 20 -12.953 -0.409 2.968 1.00 0.00 H new ATOM 0 HA SER E 20 -14.959 -1.081 4.943 1.00 0.00 H new ATOM 0 HB2 SER E 20 -14.114 1.252 4.396 1.00 0.00 H new ATOM 0 HB3 SER E 20 -14.927 1.144 2.848 1.00 0.00 H new ATOM 0 HG SER E 20 -16.261 2.154 4.472 1.00 0.00 H new ATOM 321 N LYS E 21 -15.649 -1.635 1.789 1.00 0.00 N ATOM 322 CA LYS E 21 -16.729 -2.266 0.974 1.00 0.00 C ATOM 323 C LYS E 21 -16.589 -3.783 1.080 1.00 0.00 C ATOM 324 O LYS E 21 -17.444 -4.529 0.645 1.00 0.00 O ATOM 325 CB LYS E 21 -16.686 -1.845 -0.505 1.00 0.00 C ATOM 326 CG LYS E 21 -15.469 -0.978 -0.799 1.00 0.00 C ATOM 327 CD LYS E 21 -14.309 -1.885 -1.186 1.00 0.00 C ATOM 328 CE LYS E 21 -13.831 -1.526 -2.593 1.00 0.00 C ATOM 329 NZ LYS E 21 -14.769 -2.107 -3.594 1.00 0.00 N ATOM 0 H LYS E 21 -14.765 -1.460 1.311 1.00 0.00 H new ATOM 0 HA LYS E 21 -17.688 -1.928 1.368 1.00 0.00 H new ATOM 0 HB2 LYS E 21 -16.664 -2.733 -1.137 1.00 0.00 H new ATOM 0 HB3 LYS E 21 -17.594 -1.297 -0.756 1.00 0.00 H new ATOM 0 HG2 LYS E 21 -15.688 -0.279 -1.606 1.00 0.00 H new ATOM 0 HG3 LYS E 21 -15.208 -0.383 0.076 1.00 0.00 H new ATOM 0 HD2 LYS E 21 -13.492 -1.773 -0.473 1.00 0.00 H new ATOM 0 HD3 LYS E 21 -14.622 -2.929 -1.152 1.00 0.00 H new ATOM 0 HE2 LYS E 21 -13.783 -0.443 -2.708 1.00 0.00 H new ATOM 0 HE3 LYS E 21 -12.824 -1.909 -2.756 1.00 0.00 H new ATOM 0 HZ1 LYS E 21 -14.447 -1.865 -4.553 1.00 0.00 H new ATOM 0 HZ2 LYS E 21 -14.793 -3.141 -3.488 1.00 0.00 H new ATOM 0 HZ3 LYS E 21 -15.723 -1.721 -3.441 1.00 0.00 H new ATOM 343 N GLN E 22 -15.517 -4.246 1.669 1.00 0.00 N ATOM 344 CA GLN E 22 -15.320 -5.708 1.820 1.00 0.00 C ATOM 345 C GLN E 22 -16.564 -6.322 2.450 1.00 0.00 C ATOM 346 O GLN E 22 -17.511 -5.634 2.774 1.00 0.00 O ATOM 347 CB GLN E 22 -14.099 -5.949 2.716 1.00 0.00 C ATOM 348 CG GLN E 22 -12.969 -6.613 1.917 1.00 0.00 C ATOM 349 CD GLN E 22 -13.073 -6.257 0.432 1.00 0.00 C ATOM 350 OE1 GLN E 22 -12.717 -5.172 0.029 1.00 0.00 O ATOM 351 NE2 GLN E 22 -13.568 -7.128 -0.400 1.00 0.00 N ATOM 0 H GLN E 22 -14.769 -3.667 2.052 1.00 0.00 H new ATOM 0 HA GLN E 22 -15.154 -6.170 0.847 1.00 0.00 H new ATOM 0 HB2 GLN E 22 -13.752 -5.002 3.130 1.00 0.00 H new ATOM 0 HB3 GLN E 22 -14.378 -6.582 3.558 1.00 0.00 H new ATOM 0 HG2 GLN E 22 -12.004 -6.290 2.306 1.00 0.00 H new ATOM 0 HG3 GLN E 22 -13.017 -7.695 2.041 1.00 0.00 H new ATOM 0 HE21 GLN E 22 -13.868 -8.042 -0.062 1.00 0.00 H new ATOM 0 HE22 GLN E 22 -13.655 -6.896 -1.389 1.00 0.00 H new ATOM 360 N ARG E 23 -16.582 -7.615 2.607 1.00 0.00 N ATOM 361 CA ARG E 23 -17.781 -8.262 3.196 1.00 0.00 C ATOM 362 C ARG E 23 -17.372 -9.208 4.320 1.00 0.00 C ATOM 363 O ARG E 23 -18.107 -9.408 5.267 1.00 0.00 O ATOM 364 CB ARG E 23 -18.513 -9.042 2.108 1.00 0.00 C ATOM 365 CG ARG E 23 -17.809 -10.377 1.865 1.00 0.00 C ATOM 366 CD ARG E 23 -17.792 -10.678 0.366 1.00 0.00 C ATOM 367 NE ARG E 23 -18.962 -11.530 0.016 1.00 0.00 N ATOM 368 CZ ARG E 23 -18.949 -12.245 -1.077 1.00 0.00 C ATOM 369 NH1 ARG E 23 -17.930 -12.180 -1.893 1.00 0.00 N ATOM 370 NH2 ARG E 23 -19.956 -13.027 -1.356 1.00 0.00 N ATOM 0 H ARG E 23 -15.822 -8.247 2.354 1.00 0.00 H new ATOM 0 HA ARG E 23 -18.438 -7.495 3.607 1.00 0.00 H new ATOM 0 HB2 ARG E 23 -19.547 -9.215 2.405 1.00 0.00 H new ATOM 0 HB3 ARG E 23 -18.539 -8.461 1.186 1.00 0.00 H new ATOM 0 HG2 ARG E 23 -16.790 -10.339 2.251 1.00 0.00 H new ATOM 0 HG3 ARG E 23 -18.323 -11.175 2.401 1.00 0.00 H new ATOM 0 HD2 ARG E 23 -17.823 -9.749 -0.202 1.00 0.00 H new ATOM 0 HD3 ARG E 23 -16.866 -11.186 0.097 1.00 0.00 H new ATOM 0 HE ARG E 23 -19.775 -11.555 0.631 1.00 0.00 H new ATOM 0 HH11 ARG E 23 -17.142 -11.570 -1.677 1.00 0.00 H new ATOM 0 HH12 ARG E 23 -17.923 -12.740 -2.746 1.00 0.00 H new ATOM 0 HH21 ARG E 23 -20.752 -13.079 -0.721 1.00 0.00 H new ATOM 0 HH22 ARG E 23 -19.947 -13.586 -2.209 1.00 0.00 H new ATOM 384 N HIS E 24 -16.206 -9.785 4.247 1.00 0.00 N ATOM 385 CA HIS E 24 -15.787 -10.693 5.340 1.00 0.00 C ATOM 386 C HIS E 24 -14.916 -9.910 6.297 1.00 0.00 C ATOM 387 O HIS E 24 -13.918 -9.339 5.910 1.00 0.00 O ATOM 388 CB HIS E 24 -14.968 -11.868 4.810 1.00 0.00 C ATOM 389 CG HIS E 24 -15.509 -12.354 3.495 1.00 0.00 C ATOM 390 ND1 HIS E 24 -16.857 -12.600 3.289 1.00 0.00 N ATOM 391 CD2 HIS E 24 -14.884 -12.673 2.315 1.00 0.00 C ATOM 392 CE1 HIS E 24 -16.998 -13.048 2.027 1.00 0.00 C ATOM 393 NE2 HIS E 24 -15.826 -13.111 1.390 1.00 0.00 N ATOM 0 H HIS E 24 -15.536 -9.668 3.487 1.00 0.00 H new ATOM 0 HA HIS E 24 -16.681 -11.082 5.827 1.00 0.00 H new ATOM 0 HB2 HIS E 24 -13.928 -11.565 4.689 1.00 0.00 H new ATOM 0 HB3 HIS E 24 -14.981 -12.681 5.535 1.00 0.00 H new ATOM 0 HD2 HIS E 24 -13.822 -12.596 2.133 1.00 0.00 H new ATOM 0 HE1 HIS E 24 -17.944 -13.323 1.584 1.00 0.00 H new ATOM 0 HE2 HIS E 24 -15.658 -13.415 0.431 1.00 0.00 H new ATOM 401 N ASP E 25 -15.253 -9.887 7.545 1.00 0.00 N ATOM 402 CA ASP E 25 -14.388 -9.147 8.485 1.00 0.00 C ATOM 403 C ASP E 25 -13.098 -9.932 8.612 1.00 0.00 C ATOM 404 O ASP E 25 -13.011 -10.931 9.296 1.00 0.00 O ATOM 405 CB ASP E 25 -15.069 -8.976 9.834 1.00 0.00 C ATOM 406 CG ASP E 25 -15.861 -10.239 10.180 1.00 0.00 C ATOM 407 OD1 ASP E 25 -15.242 -11.211 10.579 1.00 0.00 O ATOM 408 OD2 ASP E 25 -17.072 -10.211 10.041 1.00 0.00 O ATOM 0 H ASP E 25 -16.073 -10.339 7.950 1.00 0.00 H new ATOM 0 HA ASP E 25 -14.186 -8.142 8.115 1.00 0.00 H new ATOM 0 HB2 ASP E 25 -14.324 -8.780 10.605 1.00 0.00 H new ATOM 0 HB3 ASP E 25 -15.735 -8.114 9.808 1.00 0.00 H new ATOM 413 N GLY E 26 -12.115 -9.493 7.900 1.00 0.00 N ATOM 414 CA GLY E 26 -10.806 -10.183 7.878 1.00 0.00 C ATOM 415 C GLY E 26 -10.090 -9.715 6.621 1.00 0.00 C ATOM 416 O GLY E 26 -8.878 -9.680 6.563 1.00 0.00 O ATOM 0 H GLY E 26 -12.163 -8.660 7.314 1.00 0.00 H new ATOM 0 HA2 GLY E 26 -10.225 -9.941 8.768 1.00 0.00 H new ATOM 0 HA3 GLY E 26 -10.938 -11.265 7.869 1.00 0.00 H new ATOM 420 N ALA E 27 -10.855 -9.324 5.622 1.00 0.00 N ATOM 421 CA ALA E 27 -10.259 -8.811 4.360 1.00 0.00 C ATOM 422 C ALA E 27 -9.004 -8.004 4.702 1.00 0.00 C ATOM 423 O ALA E 27 -8.989 -7.258 5.658 1.00 0.00 O ATOM 424 CB ALA E 27 -11.301 -7.923 3.692 1.00 0.00 C ATOM 0 H ALA E 27 -11.875 -9.342 5.637 1.00 0.00 H new ATOM 0 HA ALA E 27 -9.978 -9.622 3.688 1.00 0.00 H new ATOM 0 HB1 ALA E 27 -10.898 -7.527 2.760 1.00 0.00 H new ATOM 0 HB2 ALA E 27 -12.196 -8.508 3.481 1.00 0.00 H new ATOM 0 HB3 ALA E 27 -11.556 -7.097 4.357 1.00 0.00 H new ATOM 430 N PHE E 28 -7.939 -8.162 3.964 1.00 0.00 N ATOM 431 CA PHE E 28 -6.701 -7.413 4.318 1.00 0.00 C ATOM 432 C PHE E 28 -5.876 -7.065 3.080 1.00 0.00 C ATOM 433 O PHE E 28 -6.012 -7.649 2.024 1.00 0.00 O ATOM 434 CB PHE E 28 -5.846 -8.271 5.236 1.00 0.00 C ATOM 435 CG PHE E 28 -4.809 -9.004 4.420 1.00 0.00 C ATOM 436 CD1 PHE E 28 -3.558 -8.420 4.172 1.00 0.00 C ATOM 437 CD2 PHE E 28 -5.091 -10.282 3.931 1.00 0.00 C ATOM 438 CE1 PHE E 28 -2.594 -9.119 3.438 1.00 0.00 C ATOM 439 CE2 PHE E 28 -4.130 -10.978 3.193 1.00 0.00 C ATOM 440 CZ PHE E 28 -2.880 -10.398 2.950 1.00 0.00 C ATOM 0 H PHE E 28 -7.872 -8.766 3.145 1.00 0.00 H new ATOM 0 HA PHE E 28 -7.001 -6.487 4.808 1.00 0.00 H new ATOM 0 HB2 PHE E 28 -5.360 -7.647 5.986 1.00 0.00 H new ATOM 0 HB3 PHE E 28 -6.472 -8.984 5.772 1.00 0.00 H new ATOM 0 HD1 PHE E 28 -3.339 -7.431 4.548 1.00 0.00 H new ATOM 0 HD2 PHE E 28 -6.053 -10.733 4.124 1.00 0.00 H new ATOM 0 HE1 PHE E 28 -1.630 -8.671 3.248 1.00 0.00 H new ATOM 0 HE2 PHE E 28 -4.352 -11.963 2.810 1.00 0.00 H new ATOM 0 HZ PHE E 28 -2.135 -10.939 2.385 1.00 0.00 H new ATOM 450 N LEU E 29 -4.994 -6.127 3.235 1.00 0.00 N ATOM 451 CA LEU E 29 -4.108 -5.709 2.127 1.00 0.00 C ATOM 452 C LEU E 29 -2.851 -5.187 2.784 1.00 0.00 C ATOM 453 O LEU E 29 -2.879 -4.781 3.926 1.00 0.00 O ATOM 454 CB LEU E 29 -4.752 -4.587 1.309 1.00 0.00 C ATOM 455 CG LEU E 29 -4.946 -3.355 2.197 1.00 0.00 C ATOM 456 CD1 LEU E 29 -3.671 -2.504 2.178 1.00 0.00 C ATOM 457 CD2 LEU E 29 -6.122 -2.525 1.669 1.00 0.00 C ATOM 0 H LEU E 29 -4.848 -5.620 4.108 1.00 0.00 H new ATOM 0 HA LEU E 29 -3.912 -6.540 1.449 1.00 0.00 H new ATOM 0 HB2 LEU E 29 -4.122 -4.337 0.455 1.00 0.00 H new ATOM 0 HB3 LEU E 29 -5.712 -4.917 0.912 1.00 0.00 H new ATOM 0 HG LEU E 29 -5.155 -3.673 3.218 1.00 0.00 H new ATOM 0 HD11 LEU E 29 -3.809 -1.627 2.810 1.00 0.00 H new ATOM 0 HD12 LEU E 29 -2.834 -3.093 2.553 1.00 0.00 H new ATOM 0 HD13 LEU E 29 -3.461 -2.186 1.157 1.00 0.00 H new ATOM 0 HD21 LEU E 29 -6.261 -1.648 2.301 1.00 0.00 H new ATOM 0 HD22 LEU E 29 -5.913 -2.207 0.647 1.00 0.00 H new ATOM 0 HD23 LEU E 29 -7.029 -3.129 1.683 1.00 0.00 H new ATOM 469 N ILE E 30 -1.749 -5.188 2.121 1.00 0.00 N ATOM 470 CA ILE E 30 -0.546 -4.684 2.801 1.00 0.00 C ATOM 471 C ILE E 30 -0.061 -3.431 2.115 1.00 0.00 C ATOM 472 O ILE E 30 0.001 -3.330 0.912 1.00 0.00 O ATOM 473 CB ILE E 30 0.488 -5.797 2.865 1.00 0.00 C ATOM 474 CG1 ILE E 30 0.216 -6.522 4.168 1.00 0.00 C ATOM 475 CG2 ILE E 30 1.924 -5.256 2.878 1.00 0.00 C ATOM 476 CD1 ILE E 30 0.988 -7.838 4.231 1.00 0.00 C ATOM 0 H ILE E 30 -1.626 -5.507 1.160 1.00 0.00 H new ATOM 0 HA ILE E 30 -0.762 -4.397 3.830 1.00 0.00 H new ATOM 0 HB ILE E 30 0.407 -6.440 1.989 1.00 0.00 H new ATOM 0 HG12 ILE E 30 0.501 -5.888 5.008 1.00 0.00 H new ATOM 0 HG13 ILE E 30 -0.852 -6.717 4.264 1.00 0.00 H new ATOM 0 HG21 ILE E 30 2.626 -6.089 2.924 1.00 0.00 H new ATOM 0 HG22 ILE E 30 2.104 -4.680 1.971 1.00 0.00 H new ATOM 0 HG23 ILE E 30 2.063 -4.615 3.749 1.00 0.00 H new ATOM 0 HD11 ILE E 30 0.776 -8.339 5.175 1.00 0.00 H new ATOM 0 HD12 ILE E 30 0.683 -8.479 3.404 1.00 0.00 H new ATOM 0 HD13 ILE E 30 2.057 -7.637 4.159 1.00 0.00 H new ATOM 488 N ARG E 31 0.235 -2.455 2.901 1.00 0.00 N ATOM 489 CA ARG E 31 0.674 -1.153 2.332 1.00 0.00 C ATOM 490 C ARG E 31 2.112 -0.841 2.737 1.00 0.00 C ATOM 491 O ARG E 31 2.555 -1.166 3.819 1.00 0.00 O ATOM 492 CB ARG E 31 -0.257 -0.052 2.841 1.00 0.00 C ATOM 493 CG ARG E 31 -1.060 -0.580 4.032 1.00 0.00 C ATOM 494 CD ARG E 31 -2.008 0.511 4.526 1.00 0.00 C ATOM 495 NE ARG E 31 -1.390 1.843 4.285 1.00 0.00 N ATOM 496 CZ ARG E 31 -0.405 2.253 5.033 1.00 0.00 C ATOM 497 NH1 ARG E 31 -0.032 1.553 6.070 1.00 0.00 N ATOM 498 NH2 ARG E 31 0.208 3.367 4.744 1.00 0.00 N ATOM 0 H ARG E 31 0.195 -2.494 3.919 1.00 0.00 H new ATOM 0 HA ARG E 31 0.632 -1.207 1.244 1.00 0.00 H new ATOM 0 HB2 ARG E 31 0.323 0.822 3.137 1.00 0.00 H new ATOM 0 HB3 ARG E 31 -0.931 0.267 2.046 1.00 0.00 H new ATOM 0 HG2 ARG E 31 -1.626 -1.465 3.740 1.00 0.00 H new ATOM 0 HG3 ARG E 31 -0.386 -0.883 4.834 1.00 0.00 H new ATOM 0 HD2 ARG E 31 -2.964 0.441 4.007 1.00 0.00 H new ATOM 0 HD3 ARG E 31 -2.212 0.378 5.589 1.00 0.00 H new ATOM 0 HE ARG E 31 -1.738 2.437 3.532 1.00 0.00 H new ATOM 0 HH11 ARG E 31 -0.512 0.682 6.297 1.00 0.00 H new ATOM 0 HH12 ARG E 31 0.739 1.877 6.653 1.00 0.00 H new ATOM 0 HH21 ARG E 31 -0.084 3.915 3.934 1.00 0.00 H new ATOM 0 HH22 ARG E 31 0.979 3.691 5.327 1.00 0.00 H new ATOM 512 N GLU E 32 2.839 -0.208 1.860 1.00 0.00 N ATOM 513 CA GLU E 32 4.253 0.141 2.157 1.00 0.00 C ATOM 514 C GLU E 32 4.332 1.583 2.661 1.00 0.00 C ATOM 515 O GLU E 32 5.023 2.405 2.094 1.00 0.00 O ATOM 516 CB GLU E 32 5.060 0.009 0.871 1.00 0.00 C ATOM 517 CG GLU E 32 6.556 0.091 1.190 1.00 0.00 C ATOM 518 CD GLU E 32 7.348 -0.667 0.123 1.00 0.00 C ATOM 519 OE1 GLU E 32 6.733 -1.143 -0.816 1.00 0.00 O ATOM 520 OE2 GLU E 32 8.556 -0.759 0.265 1.00 0.00 O ATOM 0 H GLU E 32 2.509 0.085 0.940 1.00 0.00 H new ATOM 0 HA GLU E 32 4.650 -0.525 2.923 1.00 0.00 H new ATOM 0 HB2 GLU E 32 4.834 -0.939 0.384 1.00 0.00 H new ATOM 0 HB3 GLU E 32 4.783 0.800 0.174 1.00 0.00 H new ATOM 0 HG2 GLU E 32 6.875 1.133 1.223 1.00 0.00 H new ATOM 0 HG3 GLU E 32 6.753 -0.334 2.174 1.00 0.00 H new ATOM 527 N SER E 33 3.630 1.884 3.722 1.00 0.00 N ATOM 528 CA SER E 33 3.642 3.272 4.288 1.00 0.00 C ATOM 529 C SER E 33 3.762 4.308 3.165 1.00 0.00 C ATOM 530 O SER E 33 4.847 4.632 2.723 1.00 0.00 O ATOM 531 CB SER E 33 4.825 3.430 5.239 1.00 0.00 C ATOM 532 OG SER E 33 4.379 3.268 6.578 1.00 0.00 O ATOM 0 H SER E 33 3.042 1.222 4.228 1.00 0.00 H new ATOM 0 HA SER E 33 2.708 3.434 4.826 1.00 0.00 H new ATOM 0 HB2 SER E 33 5.593 2.691 5.008 1.00 0.00 H new ATOM 0 HB3 SER E 33 5.279 4.413 5.112 1.00 0.00 H new ATOM 0 HG SER E 33 3.399 3.273 6.599 1.00 0.00 H new ATOM 538 N GLU E 34 2.662 4.835 2.702 1.00 0.00 N ATOM 539 CA GLU E 34 2.731 5.849 1.612 1.00 0.00 C ATOM 540 C GLU E 34 3.364 7.137 2.144 1.00 0.00 C ATOM 541 O GLU E 34 3.828 7.968 1.389 1.00 0.00 O ATOM 542 CB GLU E 34 1.322 6.143 1.094 1.00 0.00 C ATOM 543 CG GLU E 34 1.169 5.549 -0.306 1.00 0.00 C ATOM 544 CD GLU E 34 2.184 6.197 -1.250 1.00 0.00 C ATOM 545 OE1 GLU E 34 3.313 5.735 -1.282 1.00 0.00 O ATOM 546 OE2 GLU E 34 1.815 7.143 -1.926 1.00 0.00 O ATOM 0 H GLU E 34 1.723 4.609 3.029 1.00 0.00 H new ATOM 0 HA GLU E 34 3.341 5.460 0.797 1.00 0.00 H new ATOM 0 HB2 GLU E 34 0.578 5.717 1.767 1.00 0.00 H new ATOM 0 HB3 GLU E 34 1.148 7.219 1.067 1.00 0.00 H new ATOM 0 HG2 GLU E 34 1.324 4.471 -0.274 1.00 0.00 H new ATOM 0 HG3 GLU E 34 0.157 5.715 -0.674 1.00 0.00 H new ATOM 553 N SER E 35 3.394 7.307 3.438 1.00 0.00 N ATOM 554 CA SER E 35 4.005 8.540 4.012 1.00 0.00 C ATOM 555 C SER E 35 5.501 8.303 4.234 1.00 0.00 C ATOM 556 O SER E 35 6.297 9.220 4.206 1.00 0.00 O ATOM 557 CB SER E 35 3.335 8.871 5.346 1.00 0.00 C ATOM 558 OG SER E 35 3.312 7.707 6.162 1.00 0.00 O ATOM 0 H SER E 35 3.023 6.647 4.121 1.00 0.00 H new ATOM 0 HA SER E 35 3.864 9.373 3.323 1.00 0.00 H new ATOM 0 HB2 SER E 35 3.877 9.671 5.850 1.00 0.00 H new ATOM 0 HB3 SER E 35 2.320 9.231 5.177 1.00 0.00 H new ATOM 0 HG SER E 35 2.403 7.342 6.185 1.00 0.00 H new ATOM 564 N ALA E 36 5.886 7.075 4.451 1.00 0.00 N ATOM 565 CA ALA E 36 7.329 6.769 4.671 1.00 0.00 C ATOM 566 C ALA E 36 8.000 6.509 3.328 1.00 0.00 C ATOM 567 O ALA E 36 7.340 6.398 2.314 1.00 0.00 O ATOM 568 CB ALA E 36 7.457 5.506 5.525 1.00 0.00 C ATOM 0 H ALA E 36 5.262 6.269 4.486 1.00 0.00 H new ATOM 0 HA ALA E 36 7.802 7.613 5.173 1.00 0.00 H new ATOM 0 HB1 ALA E 36 8.511 5.281 5.686 1.00 0.00 H new ATOM 0 HB2 ALA E 36 6.969 5.666 6.486 1.00 0.00 H new ATOM 0 HB3 ALA E 36 6.982 4.670 5.011 1.00 0.00 H new ATOM 574 N PRO E 37 9.297 6.384 3.370 1.00 0.00 N ATOM 575 CA PRO E 37 10.095 6.093 2.179 1.00 0.00 C ATOM 576 C PRO E 37 9.953 4.608 1.844 1.00 0.00 C ATOM 577 O PRO E 37 10.456 4.129 0.848 1.00 0.00 O ATOM 578 CB PRO E 37 11.521 6.442 2.597 1.00 0.00 C ATOM 579 CG PRO E 37 11.543 6.378 4.135 1.00 0.00 C ATOM 580 CD PRO E 37 10.084 6.517 4.608 1.00 0.00 C ATOM 0 HA PRO E 37 9.793 6.649 1.291 1.00 0.00 H new ATOM 0 HB2 PRO E 37 12.236 5.740 2.168 1.00 0.00 H new ATOM 0 HB3 PRO E 37 11.798 7.435 2.244 1.00 0.00 H new ATOM 0 HG2 PRO E 37 11.972 5.436 4.476 1.00 0.00 H new ATOM 0 HG3 PRO E 37 12.160 7.177 4.546 1.00 0.00 H new ATOM 0 HD2 PRO E 37 9.823 5.745 5.332 1.00 0.00 H new ATOM 0 HD3 PRO E 37 9.910 7.479 5.091 1.00 0.00 H new ATOM 588 N GLY E 38 9.253 3.879 2.679 1.00 0.00 N ATOM 589 CA GLY E 38 9.052 2.431 2.428 1.00 0.00 C ATOM 590 C GLY E 38 8.836 1.700 3.755 1.00 0.00 C ATOM 591 O GLY E 38 9.667 0.931 4.196 1.00 0.00 O ATOM 0 H GLY E 38 8.812 4.234 3.528 1.00 0.00 H new ATOM 0 HA2 GLY E 38 8.192 2.282 1.776 1.00 0.00 H new ATOM 0 HA3 GLY E 38 9.919 2.018 1.912 1.00 0.00 H new ATOM 595 N ASP E 39 7.717 1.928 4.387 1.00 0.00 N ATOM 596 CA ASP E 39 7.433 1.242 5.681 1.00 0.00 C ATOM 597 C ASP E 39 6.263 0.275 5.483 1.00 0.00 C ATOM 598 O ASP E 39 5.137 0.677 5.267 1.00 0.00 O ATOM 599 CB ASP E 39 7.073 2.279 6.748 1.00 0.00 C ATOM 600 CG ASP E 39 8.217 2.386 7.758 1.00 0.00 C ATOM 601 OD1 ASP E 39 8.525 1.383 8.382 1.00 0.00 O ATOM 602 OD2 ASP E 39 8.766 3.467 7.890 1.00 0.00 O ATOM 0 H ASP E 39 6.986 2.561 4.063 1.00 0.00 H new ATOM 0 HA ASP E 39 8.315 0.691 6.008 1.00 0.00 H new ATOM 0 HB2 ASP E 39 6.892 3.248 6.283 1.00 0.00 H new ATOM 0 HB3 ASP E 39 6.152 1.991 7.254 1.00 0.00 H new ATOM 607 N PHE E 40 6.523 -0.999 5.539 1.00 0.00 N ATOM 608 CA PHE E 40 5.430 -1.990 5.335 1.00 0.00 C ATOM 609 C PHE E 40 4.316 -1.778 6.359 1.00 0.00 C ATOM 610 O PHE E 40 4.520 -1.223 7.421 1.00 0.00 O ATOM 611 CB PHE E 40 5.986 -3.408 5.488 1.00 0.00 C ATOM 612 CG PHE E 40 6.691 -3.817 4.218 1.00 0.00 C ATOM 613 CD1 PHE E 40 6.087 -3.589 2.975 1.00 0.00 C ATOM 614 CD2 PHE E 40 7.950 -4.424 4.283 1.00 0.00 C ATOM 615 CE1 PHE E 40 6.743 -3.970 1.798 1.00 0.00 C ATOM 616 CE2 PHE E 40 8.606 -4.805 3.107 1.00 0.00 C ATOM 617 CZ PHE E 40 8.002 -4.578 1.864 1.00 0.00 C ATOM 0 H PHE E 40 7.444 -1.398 5.717 1.00 0.00 H new ATOM 0 HA PHE E 40 5.023 -1.855 4.333 1.00 0.00 H new ATOM 0 HB2 PHE E 40 6.678 -3.449 6.329 1.00 0.00 H new ATOM 0 HB3 PHE E 40 5.177 -4.105 5.707 1.00 0.00 H new ATOM 0 HD1 PHE E 40 5.116 -3.120 2.924 1.00 0.00 H new ATOM 0 HD2 PHE E 40 8.416 -4.599 5.242 1.00 0.00 H new ATOM 0 HE1 PHE E 40 6.278 -3.795 0.839 1.00 0.00 H new ATOM 0 HE2 PHE E 40 9.578 -5.274 3.158 1.00 0.00 H new ATOM 0 HZ PHE E 40 8.508 -4.872 0.956 1.00 0.00 H new ATOM 627 N SER E 41 3.141 -2.240 6.038 1.00 0.00 N ATOM 628 CA SER E 41 1.982 -2.101 6.968 1.00 0.00 C ATOM 629 C SER E 41 0.836 -2.939 6.404 1.00 0.00 C ATOM 630 O SER E 41 0.992 -3.589 5.392 1.00 0.00 O ATOM 631 CB SER E 41 1.554 -0.635 7.035 1.00 0.00 C ATOM 632 OG SER E 41 2.706 0.192 7.130 1.00 0.00 O ATOM 0 H SER E 41 2.930 -2.714 5.160 1.00 0.00 H new ATOM 0 HA SER E 41 2.250 -2.436 7.970 1.00 0.00 H new ATOM 0 HB2 SER E 41 0.977 -0.373 6.148 1.00 0.00 H new ATOM 0 HB3 SER E 41 0.906 -0.474 7.896 1.00 0.00 H new ATOM 0 HG SER E 41 3.362 -0.228 7.725 1.00 0.00 H new ATOM 638 N LEU E 42 -0.313 -2.945 7.025 1.00 0.00 N ATOM 639 CA LEU E 42 -1.426 -3.759 6.447 1.00 0.00 C ATOM 640 C LEU E 42 -2.777 -3.323 6.997 1.00 0.00 C ATOM 641 O LEU E 42 -2.956 -3.174 8.176 1.00 0.00 O ATOM 642 CB LEU E 42 -1.190 -5.237 6.749 1.00 0.00 C ATOM 643 CG LEU E 42 -2.347 -5.828 7.566 1.00 0.00 C ATOM 644 CD1 LEU E 42 -3.582 -5.987 6.680 1.00 0.00 C ATOM 645 CD2 LEU E 42 -1.934 -7.204 8.088 1.00 0.00 C ATOM 0 H LEU E 42 -0.528 -2.438 7.883 1.00 0.00 H new ATOM 0 HA LEU E 42 -1.439 -3.603 5.368 1.00 0.00 H new ATOM 0 HB2 LEU E 42 -1.082 -5.789 5.815 1.00 0.00 H new ATOM 0 HB3 LEU E 42 -0.256 -5.354 7.299 1.00 0.00 H new ATOM 0 HG LEU E 42 -2.580 -5.161 8.396 1.00 0.00 H new ATOM 0 HD11 LEU E 42 -4.399 -6.407 7.267 1.00 0.00 H new ATOM 0 HD12 LEU E 42 -3.878 -5.013 6.291 1.00 0.00 H new ATOM 0 HD13 LEU E 42 -3.351 -6.655 5.850 1.00 0.00 H new ATOM 0 HD21 LEU E 42 -2.750 -7.632 8.670 1.00 0.00 H new ATOM 0 HD22 LEU E 42 -1.706 -7.859 7.247 1.00 0.00 H new ATOM 0 HD23 LEU E 42 -1.051 -7.104 8.720 1.00 0.00 H new ATOM 657 N SER E 43 -3.741 -3.141 6.139 1.00 0.00 N ATOM 658 CA SER E 43 -5.092 -2.742 6.613 1.00 0.00 C ATOM 659 C SER E 43 -5.996 -3.973 6.591 1.00 0.00 C ATOM 660 O SER E 43 -5.825 -4.865 5.785 1.00 0.00 O ATOM 661 CB SER E 43 -5.669 -1.667 5.694 1.00 0.00 C ATOM 662 OG SER E 43 -4.632 -0.778 5.300 1.00 0.00 O ATOM 0 H SER E 43 -3.650 -3.252 5.129 1.00 0.00 H new ATOM 0 HA SER E 43 -5.026 -2.341 7.624 1.00 0.00 H new ATOM 0 HB2 SER E 43 -6.121 -2.128 4.816 1.00 0.00 H new ATOM 0 HB3 SER E 43 -6.458 -1.118 6.208 1.00 0.00 H new ATOM 0 HG SER E 43 -4.245 -0.354 6.094 1.00 0.00 H new ATOM 668 N VAL E 44 -6.951 -4.037 7.470 1.00 0.00 N ATOM 669 CA VAL E 44 -7.856 -5.214 7.503 1.00 0.00 C ATOM 670 C VAL E 44 -9.184 -4.804 8.118 1.00 0.00 C ATOM 671 O VAL E 44 -9.252 -3.976 9.004 1.00 0.00 O ATOM 672 CB VAL E 44 -7.206 -6.316 8.334 1.00 0.00 C ATOM 673 CG1 VAL E 44 -6.842 -5.761 9.704 1.00 0.00 C ATOM 674 CG2 VAL E 44 -8.170 -7.495 8.507 1.00 0.00 C ATOM 0 H VAL E 44 -7.145 -3.321 8.171 1.00 0.00 H new ATOM 0 HA VAL E 44 -8.032 -5.584 6.493 1.00 0.00 H new ATOM 0 HB VAL E 44 -6.310 -6.665 7.820 1.00 0.00 H new ATOM 0 HG11 VAL E 44 -6.377 -6.545 10.302 1.00 0.00 H new ATOM 0 HG12 VAL E 44 -6.144 -4.932 9.587 1.00 0.00 H new ATOM 0 HG13 VAL E 44 -7.744 -5.409 10.205 1.00 0.00 H new ATOM 0 HG21 VAL E 44 -7.691 -8.272 9.102 1.00 0.00 H new ATOM 0 HG22 VAL E 44 -9.073 -7.155 9.014 1.00 0.00 H new ATOM 0 HG23 VAL E 44 -8.432 -7.897 7.528 1.00 0.00 H new ATOM 684 N LYS E 45 -10.239 -5.361 7.622 1.00 0.00 N ATOM 685 CA LYS E 45 -11.588 -5.006 8.122 1.00 0.00 C ATOM 686 C LYS E 45 -11.988 -5.897 9.306 1.00 0.00 C ATOM 687 O LYS E 45 -12.230 -7.078 9.151 1.00 0.00 O ATOM 688 CB LYS E 45 -12.560 -5.206 6.971 1.00 0.00 C ATOM 689 CG LYS E 45 -13.886 -4.523 7.298 1.00 0.00 C ATOM 690 CD LYS E 45 -15.012 -5.546 7.199 1.00 0.00 C ATOM 691 CE LYS E 45 -15.545 -5.587 5.774 1.00 0.00 C ATOM 692 NZ LYS E 45 -17.030 -5.467 5.801 1.00 0.00 N ATOM 0 H LYS E 45 -10.227 -6.059 6.879 1.00 0.00 H new ATOM 0 HA LYS E 45 -11.599 -3.974 8.473 1.00 0.00 H new ATOM 0 HB2 LYS E 45 -12.143 -4.792 6.053 1.00 0.00 H new ATOM 0 HB3 LYS E 45 -12.720 -6.270 6.797 1.00 0.00 H new ATOM 0 HG2 LYS E 45 -13.852 -4.097 8.301 1.00 0.00 H new ATOM 0 HG3 LYS E 45 -14.065 -3.699 6.607 1.00 0.00 H new ATOM 0 HD2 LYS E 45 -14.648 -6.531 7.490 1.00 0.00 H new ATOM 0 HD3 LYS E 45 -15.814 -5.286 7.890 1.00 0.00 H new ATOM 0 HE2 LYS E 45 -15.113 -4.775 5.188 1.00 0.00 H new ATOM 0 HE3 LYS E 45 -15.253 -6.519 5.291 1.00 0.00 H new ATOM 0 HZ1 LYS E 45 -17.402 -5.546 4.833 1.00 0.00 H new ATOM 0 HZ2 LYS E 45 -17.429 -6.227 6.388 1.00 0.00 H new ATOM 0 HZ3 LYS E 45 -17.297 -4.545 6.200 1.00 0.00 H new ATOM 706 N PHE E 46 -12.078 -5.332 10.486 1.00 0.00 N ATOM 707 CA PHE E 46 -12.481 -6.139 11.679 1.00 0.00 C ATOM 708 C PHE E 46 -13.852 -5.678 12.169 1.00 0.00 C ATOM 709 O PHE E 46 -13.972 -4.736 12.928 1.00 0.00 O ATOM 710 CB PHE E 46 -11.466 -5.963 12.811 1.00 0.00 C ATOM 711 CG PHE E 46 -10.200 -6.726 12.506 1.00 0.00 C ATOM 712 CD1 PHE E 46 -10.125 -7.544 11.376 1.00 0.00 C ATOM 713 CD2 PHE E 46 -9.098 -6.614 13.362 1.00 0.00 C ATOM 714 CE1 PHE E 46 -8.949 -8.250 11.102 1.00 0.00 C ATOM 715 CE2 PHE E 46 -7.920 -7.321 13.086 1.00 0.00 C ATOM 716 CZ PHE E 46 -7.848 -8.140 11.954 1.00 0.00 C ATOM 0 H PHE E 46 -11.890 -4.347 10.674 1.00 0.00 H new ATOM 0 HA PHE E 46 -12.519 -7.189 11.390 1.00 0.00 H new ATOM 0 HB2 PHE E 46 -11.238 -4.905 12.942 1.00 0.00 H new ATOM 0 HB3 PHE E 46 -11.894 -6.316 13.750 1.00 0.00 H new ATOM 0 HD1 PHE E 46 -10.974 -7.631 10.715 1.00 0.00 H new ATOM 0 HD2 PHE E 46 -9.156 -5.982 14.236 1.00 0.00 H new ATOM 0 HE1 PHE E 46 -8.892 -8.882 10.228 1.00 0.00 H new ATOM 0 HE2 PHE E 46 -7.069 -7.234 13.746 1.00 0.00 H new ATOM 0 HZ PHE E 46 -6.942 -8.687 11.739 1.00 0.00 H new ATOM 726 N GLY E 47 -14.884 -6.341 11.739 1.00 0.00 N ATOM 727 CA GLY E 47 -16.259 -5.961 12.169 1.00 0.00 C ATOM 728 C GLY E 47 -16.865 -5.029 11.127 1.00 0.00 C ATOM 729 O GLY E 47 -18.046 -5.078 10.845 1.00 0.00 O ATOM 0 H GLY E 47 -14.836 -7.137 11.103 1.00 0.00 H new ATOM 0 HA2 GLY E 47 -16.877 -6.851 12.283 1.00 0.00 H new ATOM 0 HA3 GLY E 47 -16.227 -5.469 13.141 1.00 0.00 H new ATOM 733 N ASN E 48 -16.053 -4.186 10.551 1.00 0.00 N ATOM 734 CA ASN E 48 -16.547 -3.237 9.515 1.00 0.00 C ATOM 735 C ASN E 48 -15.576 -2.068 9.417 1.00 0.00 C ATOM 736 O ASN E 48 -15.481 -1.399 8.407 1.00 0.00 O ATOM 737 CB ASN E 48 -17.936 -2.727 9.892 1.00 0.00 C ATOM 738 CG ASN E 48 -18.234 -1.440 9.120 1.00 0.00 C ATOM 739 OD1 ASN E 48 -17.818 -1.287 7.988 1.00 0.00 O ATOM 740 ND2 ASN E 48 -18.942 -0.502 9.686 1.00 0.00 N ATOM 0 H ASN E 48 -15.057 -4.114 10.757 1.00 0.00 H new ATOM 0 HA ASN E 48 -16.612 -3.746 8.553 1.00 0.00 H new ATOM 0 HB2 ASN E 48 -18.687 -3.483 9.663 1.00 0.00 H new ATOM 0 HB3 ASN E 48 -17.988 -2.541 10.965 1.00 0.00 H new ATOM 0 HD21 ASN E 48 -19.146 0.359 9.179 1.00 0.00 H new ATOM 0 HD22 ASN E 48 -19.291 -0.630 10.636 1.00 0.00 H new ATOM 747 N ASP E 49 -14.841 -1.836 10.460 1.00 0.00 N ATOM 748 CA ASP E 49 -13.847 -0.730 10.446 1.00 0.00 C ATOM 749 C ASP E 49 -12.563 -1.253 9.830 1.00 0.00 C ATOM 750 O ASP E 49 -12.433 -2.430 9.564 1.00 0.00 O ATOM 751 CB ASP E 49 -13.581 -0.245 11.872 1.00 0.00 C ATOM 752 CG ASP E 49 -14.324 1.070 12.111 1.00 0.00 C ATOM 753 OD1 ASP E 49 -14.723 1.688 11.138 1.00 0.00 O ATOM 754 OD2 ASP E 49 -14.481 1.438 13.264 1.00 0.00 O ATOM 0 H ASP E 49 -14.884 -2.367 11.330 1.00 0.00 H new ATOM 0 HA ASP E 49 -14.229 0.108 9.864 1.00 0.00 H new ATOM 0 HB2 ASP E 49 -13.910 -0.996 12.590 1.00 0.00 H new ATOM 0 HB3 ASP E 49 -12.511 -0.104 12.026 1.00 0.00 H new ATOM 759 N VAL E 50 -11.616 -0.402 9.578 1.00 0.00 N ATOM 760 CA VAL E 50 -10.370 -0.899 8.957 1.00 0.00 C ATOM 761 C VAL E 50 -9.160 -0.616 9.850 1.00 0.00 C ATOM 762 O VAL E 50 -8.580 0.452 9.818 1.00 0.00 O ATOM 763 CB VAL E 50 -10.175 -0.233 7.599 1.00 0.00 C ATOM 764 CG1 VAL E 50 -8.964 -0.862 6.909 1.00 0.00 C ATOM 765 CG2 VAL E 50 -11.431 -0.450 6.743 1.00 0.00 C ATOM 0 H VAL E 50 -11.650 0.599 9.772 1.00 0.00 H new ATOM 0 HA VAL E 50 -10.455 -1.978 8.829 1.00 0.00 H new ATOM 0 HB VAL E 50 -10.009 0.837 7.727 1.00 0.00 H new ATOM 0 HG11 VAL E 50 -8.815 -0.393 5.936 1.00 0.00 H new ATOM 0 HG12 VAL E 50 -8.076 -0.712 7.524 1.00 0.00 H new ATOM 0 HG13 VAL E 50 -9.136 -1.930 6.774 1.00 0.00 H new ATOM 0 HG21 VAL E 50 -11.296 0.025 5.771 1.00 0.00 H new ATOM 0 HG22 VAL E 50 -11.597 -1.518 6.605 1.00 0.00 H new ATOM 0 HG23 VAL E 50 -12.293 -0.011 7.244 1.00 0.00 H new ATOM 775 N GLN E 51 -8.755 -1.588 10.622 1.00 0.00 N ATOM 776 CA GLN E 51 -7.559 -1.413 11.495 1.00 0.00 C ATOM 777 C GLN E 51 -6.365 -1.991 10.754 1.00 0.00 C ATOM 778 O GLN E 51 -6.476 -2.968 10.048 1.00 0.00 O ATOM 779 CB GLN E 51 -7.769 -2.140 12.830 1.00 0.00 C ATOM 780 CG GLN E 51 -6.599 -3.089 13.117 1.00 0.00 C ATOM 781 CD GLN E 51 -6.869 -4.440 12.450 1.00 0.00 C ATOM 782 OE1 GLN E 51 -7.991 -4.734 12.095 1.00 0.00 O ATOM 783 NE2 GLN E 51 -5.882 -5.269 12.237 1.00 0.00 N ATOM 0 H GLN E 51 -9.204 -2.501 10.686 1.00 0.00 H new ATOM 0 HA GLN E 51 -7.393 -0.359 11.716 1.00 0.00 H new ATOM 0 HB2 GLN E 51 -7.860 -1.412 13.636 1.00 0.00 H new ATOM 0 HB3 GLN E 51 -8.702 -2.703 12.801 1.00 0.00 H new ATOM 0 HG2 GLN E 51 -5.669 -2.663 12.739 1.00 0.00 H new ATOM 0 HG3 GLN E 51 -6.476 -3.219 14.192 1.00 0.00 H new ATOM 0 HE21 GLN E 51 -4.937 -5.025 12.534 1.00 0.00 H new ATOM 0 HE22 GLN E 51 -6.056 -6.161 11.773 1.00 0.00 H new ATOM 792 N HIS E 52 -5.224 -1.394 10.892 1.00 0.00 N ATOM 793 CA HIS E 52 -4.042 -1.919 10.166 1.00 0.00 C ATOM 794 C HIS E 52 -2.918 -2.267 11.147 1.00 0.00 C ATOM 795 O HIS E 52 -2.820 -1.714 12.220 1.00 0.00 O ATOM 796 CB HIS E 52 -3.551 -0.860 9.174 1.00 0.00 C ATOM 797 CG HIS E 52 -4.426 0.359 9.260 1.00 0.00 C ATOM 798 ND1 HIS E 52 -4.438 1.185 10.371 1.00 0.00 N ATOM 799 CD2 HIS E 52 -5.315 0.912 8.372 1.00 0.00 C ATOM 800 CE1 HIS E 52 -5.307 2.182 10.125 1.00 0.00 C ATOM 801 NE2 HIS E 52 -5.870 2.063 8.921 1.00 0.00 N ATOM 0 H HIS E 52 -5.056 -0.571 11.471 1.00 0.00 H new ATOM 0 HA HIS E 52 -4.327 -2.825 9.632 1.00 0.00 H new ATOM 0 HB2 HIS E 52 -2.517 -0.594 9.394 1.00 0.00 H new ATOM 0 HB3 HIS E 52 -3.568 -1.261 8.161 1.00 0.00 H new ATOM 0 HD1 HIS E 52 -3.888 1.060 11.221 1.00 0.00 H new ATOM 0 HD2 HIS E 52 -5.548 0.514 7.396 1.00 0.00 H new ATOM 0 HE1 HIS E 52 -5.523 2.982 10.818 1.00 0.00 H new ATOM 809 N PHE E 53 -2.067 -3.182 10.769 1.00 0.00 N ATOM 810 CA PHE E 53 -0.930 -3.590 11.635 1.00 0.00 C ATOM 811 C PHE E 53 0.356 -2.977 11.090 1.00 0.00 C ATOM 812 O PHE E 53 0.580 -2.967 9.895 1.00 0.00 O ATOM 813 CB PHE E 53 -0.780 -5.100 11.560 1.00 0.00 C ATOM 814 CG PHE E 53 -1.991 -5.790 12.137 1.00 0.00 C ATOM 815 CD1 PHE E 53 -2.383 -5.549 13.459 1.00 0.00 C ATOM 816 CD2 PHE E 53 -2.713 -6.691 11.346 1.00 0.00 C ATOM 817 CE1 PHE E 53 -3.502 -6.211 13.982 1.00 0.00 C ATOM 818 CE2 PHE E 53 -3.827 -7.352 11.871 1.00 0.00 C ATOM 819 CZ PHE E 53 -4.222 -7.111 13.190 1.00 0.00 C ATOM 0 H PHE E 53 -2.116 -3.673 9.876 1.00 0.00 H new ATOM 0 HA PHE E 53 -1.113 -3.262 12.658 1.00 0.00 H new ATOM 0 HB2 PHE E 53 -0.643 -5.405 10.523 1.00 0.00 H new ATOM 0 HB3 PHE E 53 0.113 -5.408 12.104 1.00 0.00 H new ATOM 0 HD1 PHE E 53 -1.826 -4.857 14.073 1.00 0.00 H new ATOM 0 HD2 PHE E 53 -2.408 -6.876 10.327 1.00 0.00 H new ATOM 0 HE1 PHE E 53 -3.809 -6.025 15.001 1.00 0.00 H new ATOM 0 HE2 PHE E 53 -4.382 -8.048 11.259 1.00 0.00 H new ATOM 0 HZ PHE E 53 -5.083 -7.620 13.597 1.00 0.00 H new ATOM 829 N LYS E 54 1.228 -2.504 11.936 1.00 0.00 N ATOM 830 CA LYS E 54 2.496 -1.959 11.412 1.00 0.00 C ATOM 831 C LYS E 54 3.422 -3.137 11.105 1.00 0.00 C ATOM 832 O LYS E 54 3.564 -4.042 11.908 1.00 0.00 O ATOM 833 CB LYS E 54 3.152 -1.064 12.463 1.00 0.00 C ATOM 834 CG LYS E 54 4.300 -0.287 11.819 1.00 0.00 C ATOM 835 CD LYS E 54 3.732 0.896 11.038 1.00 0.00 C ATOM 836 CE LYS E 54 4.835 1.527 10.189 1.00 0.00 C ATOM 837 NZ LYS E 54 5.358 2.742 10.877 1.00 0.00 N ATOM 0 H LYS E 54 1.115 -2.474 12.949 1.00 0.00 H new ATOM 0 HA LYS E 54 2.309 -1.369 10.515 1.00 0.00 H new ATOM 0 HB2 LYS E 54 2.418 -0.373 12.878 1.00 0.00 H new ATOM 0 HB3 LYS E 54 3.525 -1.668 13.290 1.00 0.00 H new ATOM 0 HG2 LYS E 54 4.991 0.066 12.585 1.00 0.00 H new ATOM 0 HG3 LYS E 54 4.867 -0.938 11.154 1.00 0.00 H new ATOM 0 HD2 LYS E 54 2.913 0.564 10.400 1.00 0.00 H new ATOM 0 HD3 LYS E 54 3.321 1.635 11.726 1.00 0.00 H new ATOM 0 HE2 LYS E 54 5.641 0.811 10.030 1.00 0.00 H new ATOM 0 HE3 LYS E 54 4.446 1.792 9.206 1.00 0.00 H new ATOM 0 HZ1 LYS E 54 6.109 3.172 10.300 1.00 0.00 H new ATOM 0 HZ2 LYS E 54 4.586 3.427 11.007 1.00 0.00 H new ATOM 0 HZ3 LYS E 54 5.745 2.476 11.805 1.00 0.00 H new ATOM 851 N VAL E 55 4.041 -3.137 9.954 1.00 0.00 N ATOM 852 CA VAL E 55 4.965 -4.248 9.587 1.00 0.00 C ATOM 853 C VAL E 55 6.399 -3.816 9.895 1.00 0.00 C ATOM 854 O VAL E 55 6.810 -2.721 9.567 1.00 0.00 O ATOM 855 CB VAL E 55 4.833 -4.555 8.096 1.00 0.00 C ATOM 856 CG1 VAL E 55 5.934 -5.528 7.673 1.00 0.00 C ATOM 857 CG2 VAL E 55 3.465 -5.182 7.820 1.00 0.00 C ATOM 0 H VAL E 55 3.944 -2.408 9.247 1.00 0.00 H new ATOM 0 HA VAL E 55 4.714 -5.142 10.158 1.00 0.00 H new ATOM 0 HB VAL E 55 4.929 -3.630 7.528 1.00 0.00 H new ATOM 0 HG11 VAL E 55 5.838 -5.746 6.609 1.00 0.00 H new ATOM 0 HG12 VAL E 55 6.909 -5.080 7.865 1.00 0.00 H new ATOM 0 HG13 VAL E 55 5.841 -6.453 8.242 1.00 0.00 H new ATOM 0 HG21 VAL E 55 3.373 -5.400 6.756 1.00 0.00 H new ATOM 0 HG22 VAL E 55 3.367 -6.106 8.390 1.00 0.00 H new ATOM 0 HG23 VAL E 55 2.680 -4.487 8.117 1.00 0.00 H new ATOM 867 N LEU E 56 7.159 -4.661 10.530 1.00 0.00 N ATOM 868 CA LEU E 56 8.558 -4.297 10.870 1.00 0.00 C ATOM 869 C LEU E 56 9.513 -5.349 10.308 1.00 0.00 C ATOM 870 O LEU E 56 9.098 -6.367 9.789 1.00 0.00 O ATOM 871 CB LEU E 56 8.704 -4.252 12.390 1.00 0.00 C ATOM 872 CG LEU E 56 7.318 -4.211 13.036 1.00 0.00 C ATOM 873 CD1 LEU E 56 7.463 -4.229 14.559 1.00 0.00 C ATOM 874 CD2 LEU E 56 6.594 -2.932 12.610 1.00 0.00 C ATOM 0 H LEU E 56 6.869 -5.592 10.829 1.00 0.00 H new ATOM 0 HA LEU E 56 8.796 -3.324 10.441 1.00 0.00 H new ATOM 0 HB2 LEU E 56 9.254 -5.126 12.739 1.00 0.00 H new ATOM 0 HB3 LEU E 56 9.280 -3.375 12.685 1.00 0.00 H new ATOM 0 HG LEU E 56 6.743 -5.080 12.715 1.00 0.00 H new ATOM 0 HD11 LEU E 56 6.475 -4.200 15.019 1.00 0.00 H new ATOM 0 HD12 LEU E 56 7.979 -5.139 14.865 1.00 0.00 H new ATOM 0 HD13 LEU E 56 8.038 -3.361 14.880 1.00 0.00 H new ATOM 0 HD21 LEU E 56 5.606 -2.903 13.070 1.00 0.00 H new ATOM 0 HD22 LEU E 56 7.170 -2.064 12.931 1.00 0.00 H new ATOM 0 HD23 LEU E 56 6.489 -2.917 11.525 1.00 0.00 H new ATOM 886 N ARG E 57 10.790 -5.114 10.418 1.00 0.00 N ATOM 887 CA ARG E 57 11.777 -6.100 9.901 1.00 0.00 C ATOM 888 C ARG E 57 12.741 -6.483 11.024 1.00 0.00 C ATOM 889 O ARG E 57 13.176 -5.648 11.791 1.00 0.00 O ATOM 890 CB ARG E 57 12.562 -5.480 8.745 1.00 0.00 C ATOM 891 CG ARG E 57 13.021 -6.586 7.796 1.00 0.00 C ATOM 892 CD ARG E 57 12.104 -6.620 6.575 1.00 0.00 C ATOM 893 NE ARG E 57 12.185 -5.318 5.855 1.00 0.00 N ATOM 894 CZ ARG E 57 13.256 -5.012 5.174 1.00 0.00 C ATOM 895 NH1 ARG E 57 14.215 -5.888 5.030 1.00 0.00 N ATOM 896 NH2 ARG E 57 13.368 -3.829 4.636 1.00 0.00 N ATOM 0 H ARG E 57 11.193 -4.280 10.845 1.00 0.00 H new ATOM 0 HA ARG E 57 11.255 -6.989 9.547 1.00 0.00 H new ATOM 0 HB2 ARG E 57 11.939 -4.762 8.211 1.00 0.00 H new ATOM 0 HB3 ARG E 57 13.423 -4.932 9.127 1.00 0.00 H new ATOM 0 HG2 ARG E 57 14.051 -6.410 7.486 1.00 0.00 H new ATOM 0 HG3 ARG E 57 13.002 -7.549 8.306 1.00 0.00 H new ATOM 0 HD2 ARG E 57 12.396 -7.434 5.911 1.00 0.00 H new ATOM 0 HD3 ARG E 57 11.077 -6.813 6.884 1.00 0.00 H new ATOM 0 HE ARG E 57 11.403 -4.665 5.894 1.00 0.00 H new ATOM 0 HH11 ARG E 57 14.128 -6.813 5.450 1.00 0.00 H new ATOM 0 HH12 ARG E 57 15.051 -5.646 4.497 1.00 0.00 H new ATOM 0 HH21 ARG E 57 12.620 -3.145 4.748 1.00 0.00 H new ATOM 0 HH22 ARG E 57 14.204 -3.588 4.104 1.00 0.00 H new ATOM 910 N ASP E 58 13.077 -7.739 11.130 1.00 0.00 N ATOM 911 CA ASP E 58 14.011 -8.170 12.209 1.00 0.00 C ATOM 912 C ASP E 58 15.434 -7.718 11.872 1.00 0.00 C ATOM 913 O ASP E 58 16.363 -7.961 12.616 1.00 0.00 O ATOM 914 CB ASP E 58 13.977 -9.694 12.331 1.00 0.00 C ATOM 915 CG ASP E 58 14.427 -10.102 13.734 1.00 0.00 C ATOM 916 OD1 ASP E 58 14.176 -9.348 14.659 1.00 0.00 O ATOM 917 OD2 ASP E 58 15.017 -11.163 13.860 1.00 0.00 O ATOM 0 H ASP E 58 12.746 -8.485 10.518 1.00 0.00 H new ATOM 0 HA ASP E 58 13.704 -7.720 13.153 1.00 0.00 H new ATOM 0 HB2 ASP E 58 12.969 -10.063 12.139 1.00 0.00 H new ATOM 0 HB3 ASP E 58 14.629 -10.144 11.583 1.00 0.00 H new ATOM 922 N GLY E 59 15.617 -7.067 10.756 1.00 0.00 N ATOM 923 CA GLY E 59 16.983 -6.608 10.379 1.00 0.00 C ATOM 924 C GLY E 59 17.677 -7.702 9.566 1.00 0.00 C ATOM 925 O GLY E 59 18.762 -7.515 9.053 1.00 0.00 O ATOM 0 H GLY E 59 14.881 -6.834 10.090 1.00 0.00 H new ATOM 0 HA2 GLY E 59 16.922 -5.689 9.796 1.00 0.00 H new ATOM 0 HA3 GLY E 59 17.563 -6.381 11.274 1.00 0.00 H new ATOM 929 N ALA E 60 17.056 -8.844 9.442 1.00 0.00 N ATOM 930 CA ALA E 60 17.675 -9.949 8.660 1.00 0.00 C ATOM 931 C ALA E 60 16.813 -10.237 7.430 1.00 0.00 C ATOM 932 O ALA E 60 17.259 -10.844 6.476 1.00 0.00 O ATOM 933 CB ALA E 60 17.761 -11.204 9.530 1.00 0.00 C ATOM 0 H ALA E 60 16.146 -9.058 9.849 1.00 0.00 H new ATOM 0 HA ALA E 60 18.678 -9.660 8.345 1.00 0.00 H new ATOM 0 HB1 ALA E 60 18.214 -12.013 8.957 1.00 0.00 H new ATOM 0 HB2 ALA E 60 18.370 -10.996 10.409 1.00 0.00 H new ATOM 0 HB3 ALA E 60 16.760 -11.498 9.844 1.00 0.00 H new ATOM 939 N GLY E 61 15.580 -9.805 7.444 1.00 0.00 N ATOM 940 CA GLY E 61 14.692 -10.051 6.273 1.00 0.00 C ATOM 941 C GLY E 61 13.345 -10.600 6.749 1.00 0.00 C ATOM 942 O GLY E 61 12.463 -10.873 5.960 1.00 0.00 O ATOM 0 H GLY E 61 15.151 -9.293 8.215 1.00 0.00 H new ATOM 0 HA2 GLY E 61 14.542 -9.125 5.718 1.00 0.00 H new ATOM 0 HA3 GLY E 61 15.163 -10.759 5.591 1.00 0.00 H new ATOM 946 N LYS E 62 13.177 -10.766 8.033 1.00 0.00 N ATOM 947 CA LYS E 62 11.885 -11.298 8.552 1.00 0.00 C ATOM 948 C LYS E 62 10.836 -10.183 8.554 1.00 0.00 C ATOM 949 O LYS E 62 11.159 -9.013 8.500 1.00 0.00 O ATOM 950 CB LYS E 62 12.084 -11.815 9.978 1.00 0.00 C ATOM 951 CG LYS E 62 12.610 -13.252 9.931 1.00 0.00 C ATOM 952 CD LYS E 62 13.596 -13.474 11.080 1.00 0.00 C ATOM 953 CE LYS E 62 13.796 -14.975 11.299 1.00 0.00 C ATOM 954 NZ LYS E 62 15.213 -15.335 11.009 1.00 0.00 N ATOM 0 H LYS E 62 13.878 -10.556 8.744 1.00 0.00 H new ATOM 0 HA LYS E 62 11.545 -12.113 7.913 1.00 0.00 H new ATOM 0 HB2 LYS E 62 12.787 -11.176 10.513 1.00 0.00 H new ATOM 0 HB3 LYS E 62 11.141 -11.779 10.524 1.00 0.00 H new ATOM 0 HG2 LYS E 62 11.782 -13.956 10.008 1.00 0.00 H new ATOM 0 HG3 LYS E 62 13.100 -13.440 8.976 1.00 0.00 H new ATOM 0 HD2 LYS E 62 14.550 -12.999 10.851 1.00 0.00 H new ATOM 0 HD3 LYS E 62 13.219 -13.010 11.991 1.00 0.00 H new ATOM 0 HE2 LYS E 62 13.545 -15.240 12.326 1.00 0.00 H new ATOM 0 HE3 LYS E 62 13.126 -15.540 10.651 1.00 0.00 H new ATOM 0 HZ1 LYS E 62 15.349 -16.355 11.158 1.00 0.00 H new ATOM 0 HZ2 LYS E 62 15.437 -15.096 10.022 1.00 0.00 H new ATOM 0 HZ3 LYS E 62 15.843 -14.805 11.645 1.00 0.00 H new ATOM 968 N TYR E 63 9.580 -10.537 8.612 1.00 0.00 N ATOM 969 CA TYR E 63 8.510 -9.499 8.615 1.00 0.00 C ATOM 970 C TYR E 63 7.486 -9.817 9.704 1.00 0.00 C ATOM 971 O TYR E 63 6.996 -10.925 9.799 1.00 0.00 O ATOM 972 CB TYR E 63 7.792 -9.498 7.266 1.00 0.00 C ATOM 973 CG TYR E 63 8.782 -9.257 6.157 1.00 0.00 C ATOM 974 CD1 TYR E 63 9.267 -7.968 5.925 1.00 0.00 C ATOM 975 CD2 TYR E 63 9.206 -10.323 5.357 1.00 0.00 C ATOM 976 CE1 TYR E 63 10.180 -7.741 4.888 1.00 0.00 C ATOM 977 CE2 TYR E 63 10.119 -10.098 4.319 1.00 0.00 C ATOM 978 CZ TYR E 63 10.606 -8.807 4.084 1.00 0.00 C ATOM 979 OH TYR E 63 11.506 -8.583 3.062 1.00 0.00 O ATOM 0 H TYR E 63 9.249 -11.501 8.657 1.00 0.00 H new ATOM 0 HA TYR E 63 8.965 -8.526 8.800 1.00 0.00 H new ATOM 0 HB2 TYR E 63 7.287 -10.452 7.113 1.00 0.00 H new ATOM 0 HB3 TYR E 63 7.024 -8.725 7.254 1.00 0.00 H new ATOM 0 HD1 TYR E 63 8.938 -7.147 6.545 1.00 0.00 H new ATOM 0 HD2 TYR E 63 8.830 -11.319 5.539 1.00 0.00 H new ATOM 0 HE1 TYR E 63 10.556 -6.745 4.708 1.00 0.00 H new ATOM 0 HE2 TYR E 63 10.447 -10.920 3.700 1.00 0.00 H new ATOM 0 HH TYR E 63 11.697 -9.428 2.603 1.00 0.00 H new ATOM 989 N PHE E 64 7.138 -8.855 10.512 1.00 0.00 N ATOM 990 CA PHE E 64 6.122 -9.119 11.572 1.00 0.00 C ATOM 991 C PHE E 64 5.153 -7.938 11.646 1.00 0.00 C ATOM 992 O PHE E 64 5.355 -6.923 11.020 1.00 0.00 O ATOM 993 CB PHE E 64 6.798 -9.303 12.938 1.00 0.00 C ATOM 994 CG PHE E 64 8.197 -8.730 12.935 1.00 0.00 C ATOM 995 CD1 PHE E 64 9.194 -9.292 12.126 1.00 0.00 C ATOM 996 CD2 PHE E 64 8.502 -7.644 13.764 1.00 0.00 C ATOM 997 CE1 PHE E 64 10.492 -8.766 12.147 1.00 0.00 C ATOM 998 CE2 PHE E 64 9.798 -7.118 13.783 1.00 0.00 C ATOM 999 CZ PHE E 64 10.793 -7.679 12.975 1.00 0.00 C ATOM 0 H PHE E 64 7.508 -7.905 10.486 1.00 0.00 H new ATOM 0 HA PHE E 64 5.584 -10.033 11.321 1.00 0.00 H new ATOM 0 HB2 PHE E 64 6.203 -8.815 13.710 1.00 0.00 H new ATOM 0 HB3 PHE E 64 6.837 -10.363 13.188 1.00 0.00 H new ATOM 0 HD1 PHE E 64 8.961 -10.131 11.486 1.00 0.00 H new ATOM 0 HD2 PHE E 64 7.735 -7.212 14.390 1.00 0.00 H new ATOM 0 HE1 PHE E 64 11.260 -9.199 11.524 1.00 0.00 H new ATOM 0 HE2 PHE E 64 10.031 -6.279 14.422 1.00 0.00 H new ATOM 0 HZ PHE E 64 11.794 -7.273 12.990 1.00 0.00 H new ATOM 1009 N LEU E 65 4.105 -8.053 12.414 1.00 0.00 N ATOM 1010 CA LEU E 65 3.146 -6.918 12.528 1.00 0.00 C ATOM 1011 C LEU E 65 2.057 -7.253 13.545 1.00 0.00 C ATOM 1012 O LEU E 65 0.884 -7.195 13.238 1.00 0.00 O ATOM 1013 CB LEU E 65 2.495 -6.616 11.173 1.00 0.00 C ATOM 1014 CG LEU E 65 2.039 -7.925 10.526 1.00 0.00 C ATOM 1015 CD1 LEU E 65 0.515 -7.935 10.416 1.00 0.00 C ATOM 1016 CD2 LEU E 65 2.652 -8.046 9.129 1.00 0.00 C ATOM 0 H LEU E 65 3.872 -8.879 12.965 1.00 0.00 H new ATOM 0 HA LEU E 65 3.700 -6.039 12.858 1.00 0.00 H new ATOM 0 HB2 LEU E 65 1.644 -5.948 11.307 1.00 0.00 H new ATOM 0 HB3 LEU E 65 3.204 -6.104 10.523 1.00 0.00 H new ATOM 0 HG LEU E 65 2.365 -8.765 11.139 1.00 0.00 H new ATOM 0 HD11 LEU E 65 0.190 -8.868 9.955 1.00 0.00 H new ATOM 0 HD12 LEU E 65 0.078 -7.850 11.411 1.00 0.00 H new ATOM 0 HD13 LEU E 65 0.189 -7.094 9.804 1.00 0.00 H new ATOM 0 HD21 LEU E 65 2.327 -8.979 8.669 1.00 0.00 H new ATOM 0 HD22 LEU E 65 2.327 -7.206 8.515 1.00 0.00 H new ATOM 0 HD23 LEU E 65 3.739 -8.040 9.207 1.00 0.00 H new ATOM 1028 N TRP E 66 2.445 -7.556 14.758 1.00 0.00 N ATOM 1029 CA TRP E 66 1.458 -7.850 15.847 1.00 0.00 C ATOM 1030 C TRP E 66 2.148 -8.652 16.956 1.00 0.00 C ATOM 1031 O TRP E 66 2.498 -8.121 17.991 1.00 0.00 O ATOM 1032 CB TRP E 66 0.244 -8.642 15.339 1.00 0.00 C ATOM 1033 CG TRP E 66 -1.006 -8.093 15.956 1.00 0.00 C ATOM 1034 CD1 TRP E 66 -2.249 -8.283 15.462 1.00 0.00 C ATOM 1035 CD2 TRP E 66 -1.164 -7.273 17.158 1.00 0.00 C ATOM 1036 NE1 TRP E 66 -3.159 -7.633 16.274 1.00 0.00 N ATOM 1037 CE2 TRP E 66 -2.541 -6.994 17.329 1.00 0.00 C ATOM 1038 CE3 TRP E 66 -0.263 -6.744 18.105 1.00 0.00 C ATOM 1039 CZ2 TRP E 66 -3.007 -6.224 18.394 1.00 0.00 C ATOM 1040 CZ3 TRP E 66 -0.729 -5.968 19.177 1.00 0.00 C ATOM 1041 CH2 TRP E 66 -2.097 -5.707 19.320 1.00 0.00 C ATOM 0 H TRP E 66 3.422 -7.614 15.047 1.00 0.00 H new ATOM 0 HA TRP E 66 1.097 -6.894 16.226 1.00 0.00 H new ATOM 0 HB2 TRP E 66 0.184 -8.578 14.253 1.00 0.00 H new ATOM 0 HB3 TRP E 66 0.353 -9.697 15.591 1.00 0.00 H new ATOM 0 HD1 TRP E 66 -2.492 -8.851 14.576 1.00 0.00 H new ATOM 0 HE1 TRP E 66 -4.166 -7.626 16.113 1.00 0.00 H new ATOM 0 HE3 TRP E 66 0.795 -6.938 18.004 1.00 0.00 H new ATOM 0 HZ2 TRP E 66 -4.064 -6.029 18.502 1.00 0.00 H new ATOM 0 HZ3 TRP E 66 -0.028 -5.570 19.896 1.00 0.00 H new ATOM 0 HH2 TRP E 66 -2.449 -5.106 20.146 1.00 0.00 H new ATOM 1052 N VAL E 67 2.344 -9.930 16.757 1.00 0.00 N ATOM 1053 CA VAL E 67 3.003 -10.747 17.816 1.00 0.00 C ATOM 1054 C VAL E 67 4.091 -11.636 17.204 1.00 0.00 C ATOM 1055 O VAL E 67 5.269 -11.384 17.363 1.00 0.00 O ATOM 1056 CB VAL E 67 1.953 -11.622 18.505 1.00 0.00 C ATOM 1057 CG1 VAL E 67 2.496 -12.111 19.849 1.00 0.00 C ATOM 1058 CG2 VAL E 67 0.683 -10.801 18.740 1.00 0.00 C ATOM 0 H VAL E 67 2.078 -10.439 15.914 1.00 0.00 H new ATOM 0 HA VAL E 67 3.465 -10.080 18.544 1.00 0.00 H new ATOM 0 HB VAL E 67 1.723 -12.479 17.872 1.00 0.00 H new ATOM 0 HG11 VAL E 67 1.748 -12.734 20.339 1.00 0.00 H new ATOM 0 HG12 VAL E 67 3.402 -12.694 19.685 1.00 0.00 H new ATOM 0 HG13 VAL E 67 2.726 -11.254 20.482 1.00 0.00 H new ATOM 0 HG21 VAL E 67 -0.066 -11.422 19.231 1.00 0.00 H new ATOM 0 HG22 VAL E 67 0.915 -9.945 19.373 1.00 0.00 H new ATOM 0 HG23 VAL E 67 0.294 -10.451 17.784 1.00 0.00 H new ATOM 1068 N VAL E 68 3.713 -12.679 16.515 1.00 0.00 N ATOM 1069 CA VAL E 68 4.735 -13.583 15.912 1.00 0.00 C ATOM 1070 C VAL E 68 5.251 -12.985 14.601 1.00 0.00 C ATOM 1071 O VAL E 68 4.569 -12.228 13.939 1.00 0.00 O ATOM 1072 CB VAL E 68 4.108 -14.950 15.633 1.00 0.00 C ATOM 1073 CG1 VAL E 68 5.201 -15.936 15.217 1.00 0.00 C ATOM 1074 CG2 VAL E 68 3.417 -15.462 16.900 1.00 0.00 C ATOM 0 H VAL E 68 2.743 -12.944 16.344 1.00 0.00 H new ATOM 0 HA VAL E 68 5.566 -13.696 16.608 1.00 0.00 H new ATOM 0 HB VAL E 68 3.376 -14.857 14.831 1.00 0.00 H new ATOM 0 HG11 VAL E 68 4.755 -16.911 15.018 1.00 0.00 H new ATOM 0 HG12 VAL E 68 5.695 -15.572 14.316 1.00 0.00 H new ATOM 0 HG13 VAL E 68 5.932 -16.029 16.020 1.00 0.00 H new ATOM 0 HG21 VAL E 68 2.970 -16.436 16.702 1.00 0.00 H new ATOM 0 HG22 VAL E 68 4.150 -15.555 17.702 1.00 0.00 H new ATOM 0 HG23 VAL E 68 2.639 -14.760 17.199 1.00 0.00 H new ATOM 1084 N LYS E 69 6.453 -13.326 14.220 1.00 0.00 N ATOM 1085 CA LYS E 69 7.016 -12.785 12.951 1.00 0.00 C ATOM 1086 C LYS E 69 7.121 -13.911 11.922 1.00 0.00 C ATOM 1087 O LYS E 69 6.720 -15.030 12.171 1.00 0.00 O ATOM 1088 CB LYS E 69 8.404 -12.197 13.214 1.00 0.00 C ATOM 1089 CG LYS E 69 9.316 -13.277 13.801 1.00 0.00 C ATOM 1090 CD LYS E 69 10.055 -12.715 15.018 1.00 0.00 C ATOM 1091 CE LYS E 69 11.377 -13.462 15.204 1.00 0.00 C ATOM 1092 NZ LYS E 69 11.775 -13.418 16.639 1.00 0.00 N ATOM 0 H LYS E 69 7.069 -13.956 14.734 1.00 0.00 H new ATOM 0 HA LYS E 69 6.362 -12.002 12.567 1.00 0.00 H new ATOM 0 HB2 LYS E 69 8.829 -11.813 12.287 1.00 0.00 H new ATOM 0 HB3 LYS E 69 8.329 -11.356 13.903 1.00 0.00 H new ATOM 0 HG2 LYS E 69 8.727 -14.148 14.090 1.00 0.00 H new ATOM 0 HG3 LYS E 69 10.032 -13.611 13.050 1.00 0.00 H new ATOM 0 HD2 LYS E 69 10.243 -11.650 14.882 1.00 0.00 H new ATOM 0 HD3 LYS E 69 9.438 -12.818 15.911 1.00 0.00 H new ATOM 0 HE2 LYS E 69 11.272 -14.496 14.876 1.00 0.00 H new ATOM 0 HE3 LYS E 69 12.153 -13.009 14.586 1.00 0.00 H new ATOM 0 HZ1 LYS E 69 12.674 -13.926 16.766 1.00 0.00 H new ATOM 0 HZ2 LYS E 69 11.891 -12.428 16.937 1.00 0.00 H new ATOM 0 HZ3 LYS E 69 11.038 -13.869 17.218 1.00 0.00 H new ATOM 1106 N PHE E 70 7.649 -13.624 10.764 1.00 0.00 N ATOM 1107 CA PHE E 70 7.765 -14.681 9.722 1.00 0.00 C ATOM 1108 C PHE E 70 8.925 -14.361 8.782 1.00 0.00 C ATOM 1109 O PHE E 70 9.738 -13.500 9.051 1.00 0.00 O ATOM 1110 CB PHE E 70 6.466 -14.737 8.919 1.00 0.00 C ATOM 1111 CG PHE E 70 5.395 -15.386 9.757 1.00 0.00 C ATOM 1112 CD1 PHE E 70 4.668 -14.625 10.679 1.00 0.00 C ATOM 1113 CD2 PHE E 70 5.137 -16.753 9.614 1.00 0.00 C ATOM 1114 CE1 PHE E 70 3.681 -15.235 11.462 1.00 0.00 C ATOM 1115 CE2 PHE E 70 4.149 -17.363 10.395 1.00 0.00 C ATOM 1116 CZ PHE E 70 3.421 -16.604 11.320 1.00 0.00 C ATOM 0 H PHE E 70 8.004 -12.706 10.495 1.00 0.00 H new ATOM 0 HA PHE E 70 7.948 -15.642 10.202 1.00 0.00 H new ATOM 0 HB2 PHE E 70 6.159 -13.732 8.630 1.00 0.00 H new ATOM 0 HB3 PHE E 70 6.617 -15.301 7.999 1.00 0.00 H new ATOM 0 HD1 PHE E 70 4.868 -13.569 10.786 1.00 0.00 H new ATOM 0 HD2 PHE E 70 5.700 -17.338 8.901 1.00 0.00 H new ATOM 0 HE1 PHE E 70 3.120 -14.650 12.176 1.00 0.00 H new ATOM 0 HE2 PHE E 70 3.948 -18.418 10.285 1.00 0.00 H new ATOM 0 HZ PHE E 70 2.659 -17.074 11.924 1.00 0.00 H new ATOM 1126 N ASN E 71 9.003 -15.049 7.677 1.00 0.00 N ATOM 1127 CA ASN E 71 10.103 -14.787 6.712 1.00 0.00 C ATOM 1128 C ASN E 71 9.504 -14.327 5.382 1.00 0.00 C ATOM 1129 O ASN E 71 10.189 -14.229 4.384 1.00 0.00 O ATOM 1130 CB ASN E 71 10.909 -16.069 6.496 1.00 0.00 C ATOM 1131 CG ASN E 71 12.367 -15.712 6.201 1.00 0.00 C ATOM 1132 OD1 ASN E 71 12.650 -14.542 5.697 1.00 0.00 O flip ATOM 1133 ND2 ASN E 71 13.257 -16.505 6.433 1.00 0.00 N flip ATOM 0 H ASN E 71 8.350 -15.783 7.402 1.00 0.00 H new ATOM 0 HA ASN E 71 10.760 -14.011 7.105 1.00 0.00 H new ATOM 0 HB2 ASN E 71 10.851 -16.701 7.382 1.00 0.00 H new ATOM 0 HB3 ASN E 71 10.489 -16.640 5.668 1.00 0.00 H new ATOM 0 HD21 ASN E 71 13.035 -17.419 6.827 1.00 0.00 H new ATOM 0 HD22 ASN E 71 14.226 -16.257 6.234 1.00 0.00 H new ATOM 1140 N SER E 72 8.229 -14.040 5.359 1.00 0.00 N ATOM 1141 CA SER E 72 7.599 -13.584 4.094 1.00 0.00 C ATOM 1142 C SER E 72 6.346 -12.770 4.402 1.00 0.00 C ATOM 1143 O SER E 72 5.689 -12.962 5.406 1.00 0.00 O ATOM 1144 CB SER E 72 7.231 -14.790 3.232 1.00 0.00 C ATOM 1145 OG SER E 72 7.421 -14.460 1.862 1.00 0.00 O ATOM 0 H SER E 72 7.602 -14.103 6.161 1.00 0.00 H new ATOM 0 HA SER E 72 8.307 -12.959 3.551 1.00 0.00 H new ATOM 0 HB2 SER E 72 7.849 -15.647 3.501 1.00 0.00 H new ATOM 0 HB3 SER E 72 6.194 -15.076 3.409 1.00 0.00 H new ATOM 0 HG SER E 72 7.188 -15.231 1.304 1.00 0.00 H new ATOM 1151 N LEU E 73 6.010 -11.860 3.539 1.00 0.00 N ATOM 1152 CA LEU E 73 4.796 -11.034 3.765 1.00 0.00 C ATOM 1153 C LEU E 73 3.575 -11.941 3.670 1.00 0.00 C ATOM 1154 O LEU E 73 2.860 -12.147 4.630 1.00 0.00 O ATOM 1155 CB LEU E 73 4.694 -9.956 2.688 1.00 0.00 C ATOM 1156 CG LEU E 73 5.902 -9.028 2.745 1.00 0.00 C ATOM 1157 CD1 LEU E 73 5.431 -7.600 2.476 1.00 0.00 C ATOM 1158 CD2 LEU E 73 6.552 -9.109 4.129 1.00 0.00 C ATOM 0 H LEU E 73 6.525 -11.651 2.683 1.00 0.00 H new ATOM 0 HA LEU E 73 4.850 -10.560 4.745 1.00 0.00 H new ATOM 0 HB2 LEU E 73 4.632 -10.421 1.704 1.00 0.00 H new ATOM 0 HB3 LEU E 73 3.779 -9.380 2.827 1.00 0.00 H new ATOM 0 HG LEU E 73 6.636 -9.324 1.996 1.00 0.00 H new ATOM 0 HD11 LEU E 73 6.284 -6.922 2.513 1.00 0.00 H new ATOM 0 HD12 LEU E 73 4.970 -7.549 1.490 1.00 0.00 H new ATOM 0 HD13 LEU E 73 4.703 -7.308 3.233 1.00 0.00 H new ATOM 0 HD21 LEU E 73 7.415 -8.444 4.165 1.00 0.00 H new ATOM 0 HD22 LEU E 73 5.830 -8.808 4.888 1.00 0.00 H new ATOM 0 HD23 LEU E 73 6.874 -10.133 4.320 1.00 0.00 H new ATOM 1170 N ASN E 74 3.341 -12.497 2.515 1.00 0.00 N ATOM 1171 CA ASN E 74 2.181 -13.407 2.352 1.00 0.00 C ATOM 1172 C ASN E 74 2.259 -14.483 3.432 1.00 0.00 C ATOM 1173 O ASN E 74 1.273 -15.090 3.794 1.00 0.00 O ATOM 1174 CB ASN E 74 2.233 -14.049 0.967 1.00 0.00 C ATOM 1175 CG ASN E 74 2.664 -15.511 1.095 1.00 0.00 C ATOM 1176 OD1 ASN E 74 3.887 -15.791 1.455 1.00 0.00 O flip ATOM 1177 ND2 ASN E 74 1.878 -16.409 0.866 1.00 0.00 N flip ATOM 0 H ASN E 74 3.906 -12.359 1.677 1.00 0.00 H new ATOM 0 HA ASN E 74 1.246 -12.855 2.448 1.00 0.00 H new ATOM 0 HB2 ASN E 74 1.255 -13.988 0.490 1.00 0.00 H new ATOM 0 HB3 ASN E 74 2.933 -13.508 0.330 1.00 0.00 H new ATOM 0 HD21 ASN E 74 0.922 -16.191 0.585 1.00 0.00 H new ATOM 0 HD22 ASN E 74 2.174 -17.381 0.955 1.00 0.00 H new ATOM 1184 N GLU E 75 3.431 -14.707 3.964 1.00 0.00 N ATOM 1185 CA GLU E 75 3.580 -15.723 5.039 1.00 0.00 C ATOM 1186 C GLU E 75 2.834 -15.220 6.274 1.00 0.00 C ATOM 1187 O GLU E 75 2.075 -15.939 6.892 1.00 0.00 O ATOM 1188 CB GLU E 75 5.067 -15.905 5.371 1.00 0.00 C ATOM 1189 CG GLU E 75 5.656 -17.029 4.520 1.00 0.00 C ATOM 1190 CD GLU E 75 5.604 -18.343 5.301 1.00 0.00 C ATOM 1191 OE1 GLU E 75 5.070 -18.337 6.398 1.00 0.00 O ATOM 1192 OE2 GLU E 75 6.101 -19.334 4.791 1.00 0.00 O ATOM 0 H GLU E 75 4.291 -14.228 3.698 1.00 0.00 H new ATOM 0 HA GLU E 75 3.172 -16.681 4.716 1.00 0.00 H new ATOM 0 HB2 GLU E 75 5.606 -14.976 5.186 1.00 0.00 H new ATOM 0 HB3 GLU E 75 5.187 -16.137 6.429 1.00 0.00 H new ATOM 0 HG2 GLU E 75 5.098 -17.125 3.589 1.00 0.00 H new ATOM 0 HG3 GLU E 75 6.686 -16.794 4.251 1.00 0.00 H new ATOM 1199 N LEU E 76 3.032 -13.978 6.627 1.00 0.00 N ATOM 1200 CA LEU E 76 2.319 -13.417 7.807 1.00 0.00 C ATOM 1201 C LEU E 76 0.819 -13.437 7.522 1.00 0.00 C ATOM 1202 O LEU E 76 0.005 -13.532 8.419 1.00 0.00 O ATOM 1203 CB LEU E 76 2.777 -11.977 8.046 1.00 0.00 C ATOM 1204 CG LEU E 76 4.152 -11.984 8.712 1.00 0.00 C ATOM 1205 CD1 LEU E 76 5.161 -11.260 7.815 1.00 0.00 C ATOM 1206 CD2 LEU E 76 4.065 -11.270 10.062 1.00 0.00 C ATOM 0 H LEU E 76 3.657 -13.329 6.148 1.00 0.00 H new ATOM 0 HA LEU E 76 2.539 -14.011 8.694 1.00 0.00 H new ATOM 0 HB2 LEU E 76 2.822 -11.437 7.100 1.00 0.00 H new ATOM 0 HB3 LEU E 76 2.058 -11.455 8.677 1.00 0.00 H new ATOM 0 HG LEU E 76 4.477 -13.013 8.863 1.00 0.00 H new ATOM 0 HD11 LEU E 76 6.141 -11.266 8.292 1.00 0.00 H new ATOM 0 HD12 LEU E 76 5.222 -11.768 6.853 1.00 0.00 H new ATOM 0 HD13 LEU E 76 4.838 -10.230 7.662 1.00 0.00 H new ATOM 0 HD21 LEU E 76 5.045 -11.274 10.539 1.00 0.00 H new ATOM 0 HD22 LEU E 76 3.740 -10.241 9.909 1.00 0.00 H new ATOM 0 HD23 LEU E 76 3.348 -11.786 10.701 1.00 0.00 H new ATOM 1218 N VAL E 77 0.450 -13.360 6.272 1.00 0.00 N ATOM 1219 CA VAL E 77 -0.995 -13.389 5.913 1.00 0.00 C ATOM 1220 C VAL E 77 -1.559 -14.766 6.244 1.00 0.00 C ATOM 1221 O VAL E 77 -2.385 -14.922 7.118 1.00 0.00 O ATOM 1222 CB VAL E 77 -1.155 -13.151 4.413 1.00 0.00 C ATOM 1223 CG1 VAL E 77 -2.637 -13.181 4.053 1.00 0.00 C ATOM 1224 CG2 VAL E 77 -0.558 -11.792 4.033 1.00 0.00 C ATOM 0 H VAL E 77 1.090 -13.278 5.482 1.00 0.00 H new ATOM 0 HA VAL E 77 -1.522 -12.615 6.470 1.00 0.00 H new ATOM 0 HB VAL E 77 -0.630 -13.934 3.865 1.00 0.00 H new ATOM 0 HG11 VAL E 77 -2.755 -13.011 2.983 1.00 0.00 H new ATOM 0 HG12 VAL E 77 -3.055 -14.153 4.315 1.00 0.00 H new ATOM 0 HG13 VAL E 77 -3.161 -12.400 4.604 1.00 0.00 H new ATOM 0 HG21 VAL E 77 -0.676 -11.630 2.962 1.00 0.00 H new ATOM 0 HG22 VAL E 77 -1.074 -11.002 4.579 1.00 0.00 H new ATOM 0 HG23 VAL E 77 0.502 -11.776 4.288 1.00 0.00 H new ATOM 1234 N ASP E 78 -1.113 -15.765 5.535 1.00 0.00 N ATOM 1235 CA ASP E 78 -1.602 -17.148 5.776 1.00 0.00 C ATOM 1236 C ASP E 78 -1.598 -17.443 7.279 1.00 0.00 C ATOM 1237 O ASP E 78 -2.531 -18.010 7.813 1.00 0.00 O ATOM 1238 CB ASP E 78 -0.674 -18.132 5.059 1.00 0.00 C ATOM 1239 CG ASP E 78 -1.243 -18.454 3.676 1.00 0.00 C ATOM 1240 OD1 ASP E 78 -2.456 -18.498 3.553 1.00 0.00 O ATOM 1241 OD2 ASP E 78 -0.457 -18.651 2.764 1.00 0.00 O ATOM 0 H ASP E 78 -0.422 -15.679 4.790 1.00 0.00 H new ATOM 0 HA ASP E 78 -2.618 -17.251 5.396 1.00 0.00 H new ATOM 0 HB2 ASP E 78 0.324 -17.703 4.963 1.00 0.00 H new ATOM 0 HB3 ASP E 78 -0.573 -19.046 5.644 1.00 0.00 H new ATOM 1246 N TYR E 79 -0.555 -17.068 7.969 1.00 0.00 N ATOM 1247 CA TYR E 79 -0.506 -17.334 9.435 1.00 0.00 C ATOM 1248 C TYR E 79 -1.718 -16.689 10.103 1.00 0.00 C ATOM 1249 O TYR E 79 -2.512 -17.347 10.745 1.00 0.00 O ATOM 1250 CB TYR E 79 0.765 -16.733 10.034 1.00 0.00 C ATOM 1251 CG TYR E 79 0.492 -16.354 11.471 1.00 0.00 C ATOM 1252 CD1 TYR E 79 0.370 -17.353 12.445 1.00 0.00 C ATOM 1253 CD2 TYR E 79 0.354 -15.008 11.828 1.00 0.00 C ATOM 1254 CE1 TYR E 79 0.109 -17.005 13.776 1.00 0.00 C ATOM 1255 CE2 TYR E 79 0.093 -14.660 13.159 1.00 0.00 C ATOM 1256 CZ TYR E 79 -0.028 -15.659 14.133 1.00 0.00 C ATOM 1257 OH TYR E 79 -0.286 -15.316 15.445 1.00 0.00 O ATOM 0 H TYR E 79 0.261 -16.592 7.584 1.00 0.00 H new ATOM 0 HA TYR E 79 -0.511 -18.411 9.602 1.00 0.00 H new ATOM 0 HB2 TYR E 79 1.583 -17.451 9.982 1.00 0.00 H new ATOM 0 HB3 TYR E 79 1.073 -15.856 9.464 1.00 0.00 H new ATOM 0 HD1 TYR E 79 0.477 -18.392 12.170 1.00 0.00 H new ATOM 0 HD2 TYR E 79 0.449 -14.238 11.077 1.00 0.00 H new ATOM 0 HE1 TYR E 79 0.013 -17.775 14.527 1.00 0.00 H new ATOM 0 HE2 TYR E 79 -0.015 -13.621 13.434 1.00 0.00 H new ATOM 0 HH TYR E 79 -0.351 -14.341 15.522 1.00 0.00 H new ATOM 1267 N HIS E 80 -1.864 -15.401 9.953 1.00 0.00 N ATOM 1268 CA HIS E 80 -3.022 -14.703 10.574 1.00 0.00 C ATOM 1269 C HIS E 80 -4.304 -15.086 9.834 1.00 0.00 C ATOM 1270 O HIS E 80 -5.389 -14.703 10.219 1.00 0.00 O ATOM 1271 CB HIS E 80 -2.815 -13.190 10.485 1.00 0.00 C ATOM 1272 CG HIS E 80 -2.249 -12.683 11.783 1.00 0.00 C ATOM 1273 ND1 HIS E 80 -2.460 -13.061 13.085 1.00 0.00 N flip ATOM 1274 CD2 HIS E 80 -1.333 -11.645 11.833 1.00 0.00 C flip ATOM 1275 CE1 HIS E 80 -1.688 -12.273 13.933 1.00 0.00 C flip ATOM 1276 NE2 HIS E 80 -1.028 -11.436 13.127 1.00 0.00 N flip ATOM 0 H HIS E 80 -1.229 -14.802 9.426 1.00 0.00 H new ATOM 0 HA HIS E 80 -3.104 -14.997 11.620 1.00 0.00 H new ATOM 0 HB2 HIS E 80 -2.139 -12.953 9.664 1.00 0.00 H new ATOM 0 HB3 HIS E 80 -3.762 -12.695 10.271 1.00 0.00 H new ATOM 0 HD1 HIS E 80 -3.088 -13.807 13.386 1.00 0.00 H new ATOM 0 HD2 HIS E 80 -0.936 -11.102 10.988 1.00 0.00 H new ATOM 0 HE1 HIS E 80 -1.634 -12.326 15.010 1.00 0.00 H new ATOM 1284 N ARG E 81 -4.188 -15.846 8.778 1.00 0.00 N ATOM 1285 CA ARG E 81 -5.399 -16.262 8.022 1.00 0.00 C ATOM 1286 C ARG E 81 -6.044 -17.435 8.756 1.00 0.00 C ATOM 1287 O ARG E 81 -7.231 -17.676 8.653 1.00 0.00 O ATOM 1288 CB ARG E 81 -4.997 -16.691 6.608 1.00 0.00 C ATOM 1289 CG ARG E 81 -4.900 -15.457 5.708 1.00 0.00 C ATOM 1290 CD ARG E 81 -5.505 -15.786 4.341 1.00 0.00 C ATOM 1291 NE ARG E 81 -4.415 -15.956 3.341 1.00 0.00 N ATOM 1292 CZ ARG E 81 -4.709 -16.216 2.096 1.00 0.00 C ATOM 1293 NH1 ARG E 81 -5.338 -17.318 1.792 1.00 0.00 N ATOM 1294 NH2 ARG E 81 -4.373 -15.375 1.157 1.00 0.00 N ATOM 0 H ARG E 81 -3.304 -16.196 8.408 1.00 0.00 H new ATOM 0 HA ARG E 81 -6.104 -15.434 7.951 1.00 0.00 H new ATOM 0 HB2 ARG E 81 -4.040 -17.212 6.633 1.00 0.00 H new ATOM 0 HB3 ARG E 81 -5.730 -17.390 6.206 1.00 0.00 H new ATOM 0 HG2 ARG E 81 -5.429 -14.618 6.161 1.00 0.00 H new ATOM 0 HG3 ARG E 81 -3.859 -15.154 5.596 1.00 0.00 H new ATOM 0 HD2 ARG E 81 -6.099 -16.698 4.405 1.00 0.00 H new ATOM 0 HD3 ARG E 81 -6.178 -14.988 4.028 1.00 0.00 H new ATOM 0 HE ARG E 81 -3.440 -15.869 3.628 1.00 0.00 H new ATOM 0 HH11 ARG E 81 -5.600 -17.975 2.527 1.00 0.00 H new ATOM 0 HH12 ARG E 81 -5.568 -17.522 0.820 1.00 0.00 H new ATOM 0 HH21 ARG E 81 -3.881 -14.514 1.396 1.00 0.00 H new ATOM 0 HH22 ARG E 81 -4.603 -15.578 0.184 1.00 0.00 H new ATOM 1308 N SER E 82 -5.264 -18.151 9.515 1.00 0.00 N ATOM 1309 CA SER E 82 -5.807 -19.299 10.288 1.00 0.00 C ATOM 1310 C SER E 82 -5.769 -18.936 11.771 1.00 0.00 C ATOM 1311 O SER E 82 -6.425 -19.545 12.593 1.00 0.00 O ATOM 1312 CB SER E 82 -4.949 -20.540 10.039 1.00 0.00 C ATOM 1313 OG SER E 82 -4.031 -20.271 8.988 1.00 0.00 O ATOM 0 H SER E 82 -4.264 -17.988 9.633 1.00 0.00 H new ATOM 0 HA SER E 82 -6.830 -19.512 9.978 1.00 0.00 H new ATOM 0 HB2 SER E 82 -4.411 -20.813 10.947 1.00 0.00 H new ATOM 0 HB3 SER E 82 -5.582 -21.388 9.777 1.00 0.00 H new ATOM 0 HG SER E 82 -3.478 -21.063 8.826 1.00 0.00 H new ATOM 1319 N THR E 83 -5.006 -17.931 12.113 1.00 0.00 N ATOM 1320 CA THR E 83 -4.917 -17.502 13.533 1.00 0.00 C ATOM 1321 C THR E 83 -5.607 -16.147 13.683 1.00 0.00 C ATOM 1322 O THR E 83 -5.456 -15.269 12.856 1.00 0.00 O ATOM 1323 CB THR E 83 -3.447 -17.379 13.940 1.00 0.00 C ATOM 1324 OG1 THR E 83 -2.739 -18.531 13.504 1.00 0.00 O ATOM 1325 CG2 THR E 83 -3.340 -17.257 15.460 1.00 0.00 C ATOM 0 H THR E 83 -4.438 -17.388 11.463 1.00 0.00 H new ATOM 0 HA THR E 83 -5.404 -18.237 14.174 1.00 0.00 H new ATOM 0 HB THR E 83 -3.017 -16.490 13.478 1.00 0.00 H new ATOM 0 HG1 THR E 83 -1.785 -18.319 13.427 1.00 0.00 H new ATOM 0 HG21 THR E 83 -2.292 -17.170 15.745 1.00 0.00 H new ATOM 0 HG22 THR E 83 -3.882 -16.372 15.793 1.00 0.00 H new ATOM 0 HG23 THR E 83 -3.771 -18.143 15.927 1.00 0.00 H new ATOM 1333 N SER E 84 -6.377 -15.974 14.720 1.00 0.00 N ATOM 1334 CA SER E 84 -7.089 -14.681 14.915 1.00 0.00 C ATOM 1335 C SER E 84 -6.102 -13.520 14.840 1.00 0.00 C ATOM 1336 O SER E 84 -4.955 -13.678 14.470 1.00 0.00 O ATOM 1337 CB SER E 84 -7.777 -14.678 16.281 1.00 0.00 C ATOM 1338 OG SER E 84 -7.098 -15.574 17.151 1.00 0.00 O ATOM 0 H SER E 84 -6.544 -16.674 15.443 1.00 0.00 H new ATOM 0 HA SER E 84 -7.834 -14.565 14.128 1.00 0.00 H new ATOM 0 HB2 SER E 84 -7.773 -13.672 16.701 1.00 0.00 H new ATOM 0 HB3 SER E 84 -8.820 -14.975 16.176 1.00 0.00 H new ATOM 0 HG SER E 84 -7.536 -15.573 18.028 1.00 0.00 H new ATOM 1344 N VAL E 85 -6.552 -12.349 15.180 1.00 0.00 N ATOM 1345 CA VAL E 85 -5.666 -11.157 15.124 1.00 0.00 C ATOM 1346 C VAL E 85 -5.910 -10.283 16.350 1.00 0.00 C ATOM 1347 O VAL E 85 -5.001 -9.683 16.890 1.00 0.00 O ATOM 1348 CB VAL E 85 -5.974 -10.339 13.864 1.00 0.00 C ATOM 1349 CG1 VAL E 85 -5.169 -10.892 12.688 1.00 0.00 C ATOM 1350 CG2 VAL E 85 -7.472 -10.405 13.530 1.00 0.00 C ATOM 0 H VAL E 85 -7.504 -12.164 15.497 1.00 0.00 H new ATOM 0 HA VAL E 85 -4.627 -11.487 15.103 1.00 0.00 H new ATOM 0 HB VAL E 85 -5.700 -9.300 14.047 1.00 0.00 H new ATOM 0 HG11 VAL E 85 -5.388 -10.311 11.792 1.00 0.00 H new ATOM 0 HG12 VAL E 85 -4.104 -10.826 12.913 1.00 0.00 H new ATOM 0 HG13 VAL E 85 -5.440 -11.934 12.520 1.00 0.00 H new ATOM 0 HG21 VAL E 85 -7.671 -9.819 12.633 1.00 0.00 H new ATOM 0 HG22 VAL E 85 -7.761 -11.442 13.357 1.00 0.00 H new ATOM 0 HG23 VAL E 85 -8.049 -10.002 14.362 1.00 0.00 H new ATOM 1360 N SER E 86 -7.132 -10.197 16.786 1.00 0.00 N ATOM 1361 CA SER E 86 -7.441 -9.351 17.968 1.00 0.00 C ATOM 1362 C SER E 86 -7.915 -10.237 19.122 1.00 0.00 C ATOM 1363 O SER E 86 -8.485 -11.290 18.916 1.00 0.00 O ATOM 1364 CB SER E 86 -8.537 -8.356 17.591 1.00 0.00 C ATOM 1365 OG SER E 86 -8.494 -7.249 18.482 1.00 0.00 O ATOM 0 H SER E 86 -7.932 -10.677 16.374 1.00 0.00 H new ATOM 0 HA SER E 86 -6.548 -8.810 18.282 1.00 0.00 H new ATOM 0 HB2 SER E 86 -8.399 -8.017 16.564 1.00 0.00 H new ATOM 0 HB3 SER E 86 -9.514 -8.838 17.638 1.00 0.00 H new ATOM 0 HG SER E 86 -9.195 -6.608 18.241 1.00 0.00 H new ATOM 1371 N ARG E 87 -7.677 -9.822 20.336 1.00 0.00 N ATOM 1372 CA ARG E 87 -8.107 -10.642 21.504 1.00 0.00 C ATOM 1373 C ARG E 87 -9.575 -10.349 21.827 1.00 0.00 C ATOM 1374 O ARG E 87 -10.080 -10.732 22.863 1.00 0.00 O ATOM 1375 CB ARG E 87 -7.237 -10.297 22.715 1.00 0.00 C ATOM 1376 CG ARG E 87 -5.800 -10.046 22.254 1.00 0.00 C ATOM 1377 CD ARG E 87 -4.842 -10.921 23.065 1.00 0.00 C ATOM 1378 NE ARG E 87 -3.915 -10.052 23.843 1.00 0.00 N ATOM 1379 CZ ARG E 87 -3.598 -10.369 25.068 1.00 0.00 C ATOM 1380 NH1 ARG E 87 -3.276 -11.600 25.361 1.00 0.00 N ATOM 1381 NH2 ARG E 87 -3.603 -9.456 26.001 1.00 0.00 N ATOM 0 H ARG E 87 -7.203 -8.950 20.570 1.00 0.00 H new ATOM 0 HA ARG E 87 -7.996 -11.700 21.265 1.00 0.00 H new ATOM 0 HB2 ARG E 87 -7.629 -9.413 23.218 1.00 0.00 H new ATOM 0 HB3 ARG E 87 -7.261 -11.112 23.438 1.00 0.00 H new ATOM 0 HG2 ARG E 87 -5.703 -10.271 21.192 1.00 0.00 H new ATOM 0 HG3 ARG E 87 -5.545 -8.994 22.382 1.00 0.00 H new ATOM 0 HD2 ARG E 87 -5.405 -11.567 23.739 1.00 0.00 H new ATOM 0 HD3 ARG E 87 -4.275 -11.572 22.399 1.00 0.00 H new ATOM 0 HE ARG E 87 -3.528 -9.209 23.418 1.00 0.00 H new ATOM 0 HH11 ARG E 87 -3.272 -12.313 24.632 1.00 0.00 H new ATOM 0 HH12 ARG E 87 -3.028 -11.848 26.319 1.00 0.00 H new ATOM 0 HH21 ARG E 87 -3.855 -8.494 25.772 1.00 0.00 H new ATOM 0 HH22 ARG E 87 -3.355 -9.704 26.959 1.00 0.00 H new ATOM 1395 N ASN E 88 -10.265 -9.674 20.947 1.00 0.00 N ATOM 1396 CA ASN E 88 -11.698 -9.360 21.207 1.00 0.00 C ATOM 1397 C ASN E 88 -12.582 -10.293 20.377 1.00 0.00 C ATOM 1398 O ASN E 88 -13.706 -10.584 20.738 1.00 0.00 O ATOM 1399 CB ASN E 88 -11.980 -7.908 20.816 1.00 0.00 C ATOM 1400 CG ASN E 88 -12.945 -7.285 21.826 1.00 0.00 C ATOM 1401 OD1 ASN E 88 -12.718 -7.345 23.019 1.00 0.00 O ATOM 1402 ND2 ASN E 88 -14.021 -6.684 21.398 1.00 0.00 N ATOM 0 H ASN E 88 -9.898 -9.327 20.061 1.00 0.00 H new ATOM 0 HA ASN E 88 -11.915 -9.500 22.266 1.00 0.00 H new ATOM 0 HB2 ASN E 88 -11.050 -7.341 20.788 1.00 0.00 H new ATOM 0 HB3 ASN E 88 -12.408 -7.867 19.815 1.00 0.00 H new ATOM 0 HD21 ASN E 88 -14.670 -6.265 22.064 1.00 0.00 H new ATOM 0 HD22 ASN E 88 -14.213 -6.633 20.398 1.00 0.00 H new ATOM 1409 N GLN E 89 -12.083 -10.767 19.268 1.00 0.00 N ATOM 1410 CA GLN E 89 -12.894 -11.682 18.415 1.00 0.00 C ATOM 1411 C GLN E 89 -11.958 -12.578 17.601 1.00 0.00 C ATOM 1412 O GLN E 89 -10.758 -12.573 17.792 1.00 0.00 O ATOM 1413 CB GLN E 89 -13.763 -10.857 17.465 1.00 0.00 C ATOM 1414 CG GLN E 89 -14.949 -10.272 18.235 1.00 0.00 C ATOM 1415 CD GLN E 89 -15.784 -9.395 17.299 1.00 0.00 C ATOM 1416 OE1 GLN E 89 -16.997 -9.466 17.303 1.00 0.00 O ATOM 1417 NE2 GLN E 89 -15.182 -8.564 16.492 1.00 0.00 N ATOM 0 H GLN E 89 -11.148 -10.560 18.916 1.00 0.00 H new ATOM 0 HA GLN E 89 -13.533 -12.299 19.047 1.00 0.00 H new ATOM 0 HB2 GLN E 89 -13.174 -10.055 17.020 1.00 0.00 H new ATOM 0 HB3 GLN E 89 -14.120 -11.482 16.647 1.00 0.00 H new ATOM 0 HG2 GLN E 89 -15.563 -11.075 18.642 1.00 0.00 H new ATOM 0 HG3 GLN E 89 -14.593 -9.683 19.080 1.00 0.00 H new ATOM 0 HE21 GLN E 89 -14.164 -8.504 16.488 1.00 0.00 H new ATOM 0 HE22 GLN E 89 -15.730 -7.975 15.865 1.00 0.00 H new ATOM 1426 N GLN E 90 -12.495 -13.347 16.692 1.00 0.00 N ATOM 1427 CA GLN E 90 -11.627 -14.237 15.868 1.00 0.00 C ATOM 1428 C GLN E 90 -11.579 -13.721 14.434 1.00 0.00 C ATOM 1429 O GLN E 90 -12.267 -14.217 13.565 1.00 0.00 O ATOM 1430 CB GLN E 90 -12.190 -15.657 15.857 1.00 0.00 C ATOM 1431 CG GLN E 90 -13.587 -15.664 16.479 1.00 0.00 C ATOM 1432 CD GLN E 90 -14.034 -17.108 16.709 1.00 0.00 C ATOM 1433 OE1 GLN E 90 -15.089 -17.508 16.257 1.00 0.00 O ATOM 1434 NE2 GLN E 90 -13.272 -17.915 17.397 1.00 0.00 N ATOM 0 H GLN E 90 -13.492 -13.397 16.485 1.00 0.00 H new ATOM 0 HA GLN E 90 -10.626 -14.243 16.299 1.00 0.00 H new ATOM 0 HB2 GLN E 90 -12.235 -16.032 14.835 1.00 0.00 H new ATOM 0 HB3 GLN E 90 -11.531 -16.324 16.413 1.00 0.00 H new ATOM 0 HG2 GLN E 90 -13.579 -15.119 17.423 1.00 0.00 H new ATOM 0 HG3 GLN E 90 -14.292 -15.154 15.823 1.00 0.00 H new ATOM 0 HE21 GLN E 90 -12.386 -17.580 17.777 1.00 0.00 H new ATOM 0 HE22 GLN E 90 -13.562 -18.880 17.555 1.00 0.00 H new ATOM 1443 N ILE E 91 -10.768 -12.738 14.170 1.00 0.00 N ATOM 1444 CA ILE E 91 -10.683 -12.215 12.782 1.00 0.00 C ATOM 1445 C ILE E 91 -9.381 -12.703 12.149 1.00 0.00 C ATOM 1446 O ILE E 91 -8.418 -12.989 12.831 1.00 0.00 O ATOM 1447 CB ILE E 91 -10.709 -10.687 12.790 1.00 0.00 C ATOM 1448 CG1 ILE E 91 -11.730 -10.188 13.818 1.00 0.00 C ATOM 1449 CG2 ILE E 91 -11.108 -10.192 11.403 1.00 0.00 C ATOM 1450 CD1 ILE E 91 -11.066 -9.165 14.741 1.00 0.00 C ATOM 0 H ILE E 91 -10.164 -12.277 14.850 1.00 0.00 H new ATOM 0 HA ILE E 91 -11.536 -12.575 12.206 1.00 0.00 H new ATOM 0 HB ILE E 91 -9.722 -10.308 13.054 1.00 0.00 H new ATOM 0 HG12 ILE E 91 -12.582 -9.736 13.310 1.00 0.00 H new ATOM 0 HG13 ILE E 91 -12.114 -11.025 14.401 1.00 0.00 H new ATOM 0 HG21 ILE E 91 -11.130 -9.102 11.398 1.00 0.00 H new ATOM 0 HG22 ILE E 91 -10.383 -10.544 10.669 1.00 0.00 H new ATOM 0 HG23 ILE E 91 -12.096 -10.576 11.150 1.00 0.00 H new ATOM 0 HD11 ILE E 91 -11.792 -8.810 15.472 1.00 0.00 H new ATOM 0 HD12 ILE E 91 -10.228 -9.632 15.259 1.00 0.00 H new ATOM 0 HD13 ILE E 91 -10.704 -8.323 14.151 1.00 0.00 H new ATOM 1462 N PHE E 92 -9.343 -12.812 10.852 1.00 0.00 N ATOM 1463 CA PHE E 92 -8.099 -13.292 10.191 1.00 0.00 C ATOM 1464 C PHE E 92 -7.891 -12.533 8.872 1.00 0.00 C ATOM 1465 O PHE E 92 -8.825 -12.011 8.296 1.00 0.00 O ATOM 1466 CB PHE E 92 -8.231 -14.791 9.887 1.00 0.00 C ATOM 1467 CG PHE E 92 -8.627 -15.558 11.136 1.00 0.00 C ATOM 1468 CD1 PHE E 92 -9.914 -15.413 11.683 1.00 0.00 C ATOM 1469 CD2 PHE E 92 -7.712 -16.432 11.740 1.00 0.00 C ATOM 1470 CE1 PHE E 92 -10.276 -16.137 12.826 1.00 0.00 C ATOM 1471 CE2 PHE E 92 -8.081 -17.156 12.881 1.00 0.00 C ATOM 1472 CZ PHE E 92 -9.360 -17.008 13.424 1.00 0.00 C ATOM 0 H PHE E 92 -10.115 -12.591 10.223 1.00 0.00 H new ATOM 0 HA PHE E 92 -7.250 -13.120 10.852 1.00 0.00 H new ATOM 0 HB2 PHE E 92 -8.977 -14.945 9.108 1.00 0.00 H new ATOM 0 HB3 PHE E 92 -7.286 -15.174 9.503 1.00 0.00 H new ATOM 0 HD1 PHE E 92 -10.624 -14.743 11.221 1.00 0.00 H new ATOM 0 HD2 PHE E 92 -6.722 -16.547 11.325 1.00 0.00 H new ATOM 0 HE1 PHE E 92 -11.264 -16.022 13.246 1.00 0.00 H new ATOM 0 HE2 PHE E 92 -7.375 -17.831 13.342 1.00 0.00 H new ATOM 0 HZ PHE E 92 -9.641 -17.566 14.305 1.00 0.00 H new ATOM 1482 N LEU E 93 -6.678 -12.478 8.382 1.00 0.00 N ATOM 1483 CA LEU E 93 -6.426 -11.764 7.092 1.00 0.00 C ATOM 1484 C LEU E 93 -7.222 -12.453 5.978 1.00 0.00 C ATOM 1485 O LEU E 93 -7.295 -13.664 5.914 1.00 0.00 O ATOM 1486 CB LEU E 93 -4.928 -11.836 6.738 1.00 0.00 C ATOM 1487 CG LEU E 93 -4.106 -10.745 7.454 1.00 0.00 C ATOM 1488 CD1 LEU E 93 -3.193 -10.039 6.439 1.00 0.00 C ATOM 1489 CD2 LEU E 93 -5.026 -9.710 8.113 1.00 0.00 C ATOM 0 H LEU E 93 -5.855 -12.894 8.817 1.00 0.00 H new ATOM 0 HA LEU E 93 -6.730 -10.722 7.193 1.00 0.00 H new ATOM 0 HB2 LEU E 93 -4.539 -12.818 7.009 1.00 0.00 H new ATOM 0 HB3 LEU E 93 -4.806 -11.731 5.660 1.00 0.00 H new ATOM 0 HG LEU E 93 -3.505 -11.221 8.229 1.00 0.00 H new ATOM 0 HD11 LEU E 93 -2.613 -9.268 6.946 1.00 0.00 H new ATOM 0 HD12 LEU E 93 -2.516 -10.767 5.991 1.00 0.00 H new ATOM 0 HD13 LEU E 93 -3.802 -9.581 5.659 1.00 0.00 H new ATOM 0 HD21 LEU E 93 -4.422 -8.951 8.611 1.00 0.00 H new ATOM 0 HD22 LEU E 93 -5.646 -9.237 7.351 1.00 0.00 H new ATOM 0 HD23 LEU E 93 -5.664 -10.204 8.845 1.00 0.00 H new ATOM 1501 N ARG E 94 -7.816 -11.691 5.096 1.00 0.00 N ATOM 1502 CA ARG E 94 -8.601 -12.307 3.984 1.00 0.00 C ATOM 1503 C ARG E 94 -8.312 -11.557 2.673 1.00 0.00 C ATOM 1504 O ARG E 94 -7.457 -10.700 2.611 1.00 0.00 O ATOM 1505 CB ARG E 94 -10.099 -12.237 4.310 1.00 0.00 C ATOM 1506 CG ARG E 94 -10.375 -12.974 5.623 1.00 0.00 C ATOM 1507 CD ARG E 94 -10.994 -14.339 5.324 1.00 0.00 C ATOM 1508 NE ARG E 94 -10.221 -15.398 6.034 1.00 0.00 N ATOM 1509 CZ ARG E 94 -10.691 -16.613 6.104 1.00 0.00 C ATOM 1510 NH1 ARG E 94 -11.851 -16.832 6.660 1.00 0.00 N ATOM 1511 NH2 ARG E 94 -10.000 -17.609 5.620 1.00 0.00 N ATOM 0 H ARG E 94 -7.792 -10.671 5.097 1.00 0.00 H new ATOM 0 HA ARG E 94 -8.311 -13.351 3.869 1.00 0.00 H new ATOM 0 HB2 ARG E 94 -10.415 -11.197 4.392 1.00 0.00 H new ATOM 0 HB3 ARG E 94 -10.678 -12.684 3.502 1.00 0.00 H new ATOM 0 HG2 ARG E 94 -9.449 -13.098 6.184 1.00 0.00 H new ATOM 0 HG3 ARG E 94 -11.049 -12.387 6.247 1.00 0.00 H new ATOM 0 HD2 ARG E 94 -12.036 -14.357 5.645 1.00 0.00 H new ATOM 0 HD3 ARG E 94 -10.988 -14.526 4.250 1.00 0.00 H new ATOM 0 HE ARG E 94 -9.325 -15.172 6.465 1.00 0.00 H new ATOM 0 HH11 ARG E 94 -12.390 -16.053 7.040 1.00 0.00 H new ATOM 0 HH12 ARG E 94 -12.219 -17.782 6.715 1.00 0.00 H new ATOM 0 HH21 ARG E 94 -9.093 -17.437 5.187 1.00 0.00 H new ATOM 0 HH22 ARG E 94 -10.367 -18.559 5.675 1.00 0.00 H new ATOM 1525 N ASP E 95 -9.008 -11.886 1.619 1.00 0.00 N ATOM 1526 CA ASP E 95 -8.755 -11.199 0.313 1.00 0.00 C ATOM 1527 C ASP E 95 -9.633 -9.943 0.194 1.00 0.00 C ATOM 1528 O ASP E 95 -10.811 -9.972 0.486 1.00 0.00 O ATOM 1529 CB ASP E 95 -9.080 -12.161 -0.835 1.00 0.00 C ATOM 1530 CG ASP E 95 -10.552 -12.576 -0.759 1.00 0.00 C ATOM 1531 OD1 ASP E 95 -10.850 -13.499 -0.018 1.00 0.00 O ATOM 1532 OD2 ASP E 95 -11.355 -11.967 -1.446 1.00 0.00 O ATOM 0 H ASP E 95 -9.739 -12.597 1.602 1.00 0.00 H new ATOM 0 HA ASP E 95 -7.707 -10.903 0.263 1.00 0.00 H new ATOM 0 HB2 ASP E 95 -8.876 -11.682 -1.793 1.00 0.00 H new ATOM 0 HB3 ASP E 95 -8.440 -13.042 -0.777 1.00 0.00 H new ATOM 1537 N ILE E 96 -9.065 -8.838 -0.235 1.00 0.00 N ATOM 1538 CA ILE E 96 -9.868 -7.589 -0.371 1.00 0.00 C ATOM 1539 C ILE E 96 -10.004 -7.193 -1.836 1.00 0.00 C ATOM 1540 O ILE E 96 -9.178 -7.519 -2.664 1.00 0.00 O ATOM 1541 CB ILE E 96 -9.168 -6.428 0.322 1.00 0.00 C ATOM 1542 CG1 ILE E 96 -8.726 -6.806 1.727 1.00 0.00 C ATOM 1543 CG2 ILE E 96 -10.118 -5.245 0.417 1.00 0.00 C ATOM 1544 CD1 ILE E 96 -8.081 -5.575 2.364 1.00 0.00 C ATOM 0 H ILE E 96 -8.082 -8.752 -0.495 1.00 0.00 H new ATOM 0 HA ILE E 96 -10.843 -7.787 0.074 1.00 0.00 H new ATOM 0 HB ILE E 96 -8.288 -6.170 -0.267 1.00 0.00 H new ATOM 0 HG12 ILE E 96 -9.579 -7.139 2.319 1.00 0.00 H new ATOM 0 HG13 ILE E 96 -8.018 -7.634 1.694 1.00 0.00 H new ATOM 0 HG21 ILE E 96 -9.616 -4.414 0.913 1.00 0.00 H new ATOM 0 HG22 ILE E 96 -10.421 -4.940 -0.585 1.00 0.00 H new ATOM 0 HG23 ILE E 96 -10.999 -5.531 0.991 1.00 0.00 H new ATOM 0 HD11 ILE E 96 -7.754 -5.818 3.375 1.00 0.00 H new ATOM 0 HD12 ILE E 96 -7.222 -5.265 1.769 1.00 0.00 H new ATOM 0 HD13 ILE E 96 -8.807 -4.763 2.403 1.00 0.00 H new ATOM 1556 N GLU E 97 -11.019 -6.434 -2.128 1.00 0.00 N ATOM 1557 CA GLU E 97 -11.245 -5.928 -3.512 1.00 0.00 C ATOM 1558 C GLU E 97 -10.962 -7.015 -4.547 1.00 0.00 C ATOM 1559 O GLU E 97 -10.675 -8.147 -4.221 1.00 0.00 O ATOM 1560 CB GLU E 97 -10.312 -4.741 -3.760 1.00 0.00 C ATOM 1561 CG GLU E 97 -11.126 -3.449 -3.772 1.00 0.00 C ATOM 1562 CD GLU E 97 -11.997 -3.404 -5.027 1.00 0.00 C ATOM 1563 OE1 GLU E 97 -12.869 -4.249 -5.150 1.00 0.00 O ATOM 1564 OE2 GLU E 97 -11.780 -2.525 -5.843 1.00 0.00 O ATOM 0 H GLU E 97 -11.720 -6.135 -1.450 1.00 0.00 H new ATOM 0 HA GLU E 97 -12.287 -5.625 -3.610 1.00 0.00 H new ATOM 0 HB2 GLU E 97 -9.549 -4.696 -2.983 1.00 0.00 H new ATOM 0 HB3 GLU E 97 -9.792 -4.865 -4.710 1.00 0.00 H new ATOM 0 HG2 GLU E 97 -11.751 -3.393 -2.881 1.00 0.00 H new ATOM 0 HG3 GLU E 97 -10.459 -2.587 -3.749 1.00 0.00 H new ATOM 1571 N GLN E 98 -11.046 -6.667 -5.806 1.00 0.00 N ATOM 1572 CA GLN E 98 -10.770 -7.656 -6.889 1.00 0.00 C ATOM 1573 C GLN E 98 -11.916 -8.665 -7.040 1.00 0.00 C ATOM 1574 O GLN E 98 -11.971 -9.380 -8.020 1.00 0.00 O ATOM 1575 CB GLN E 98 -9.479 -8.406 -6.554 1.00 0.00 C ATOM 1576 CG GLN E 98 -8.393 -7.394 -6.185 1.00 0.00 C ATOM 1577 CD GLN E 98 -7.495 -7.964 -5.083 1.00 0.00 C ATOM 1578 OE1 GLN E 98 -7.014 -7.231 -4.242 1.00 0.00 O ATOM 1579 NE2 GLN E 98 -7.242 -9.244 -5.052 1.00 0.00 N ATOM 0 H GLN E 98 -11.296 -5.733 -6.131 1.00 0.00 H new ATOM 0 HA GLN E 98 -10.672 -7.116 -7.831 1.00 0.00 H new ATOM 0 HB2 GLN E 98 -9.648 -9.094 -5.726 1.00 0.00 H new ATOM 0 HB3 GLN E 98 -9.160 -9.005 -7.407 1.00 0.00 H new ATOM 0 HG2 GLN E 98 -7.795 -7.154 -7.064 1.00 0.00 H new ATOM 0 HG3 GLN E 98 -8.851 -6.464 -5.847 1.00 0.00 H new ATOM 0 HE21 GLN E 98 -7.645 -9.861 -5.757 1.00 0.00 H new ATOM 0 HE22 GLN E 98 -6.641 -9.628 -4.322 1.00 0.00 H new ATOM 1588 N VAL E 99 -12.814 -8.738 -6.083 1.00 0.00 N ATOM 1589 CA VAL E 99 -13.946 -9.722 -6.155 1.00 0.00 C ATOM 1590 C VAL E 99 -13.369 -11.106 -6.521 1.00 0.00 C ATOM 1591 O VAL E 99 -12.203 -11.210 -6.836 1.00 0.00 O ATOM 1592 CB VAL E 99 -15.014 -9.250 -7.165 1.00 0.00 C ATOM 1593 CG1 VAL E 99 -15.754 -8.039 -6.590 1.00 0.00 C ATOM 1594 CG2 VAL E 99 -14.380 -8.850 -8.500 1.00 0.00 C ATOM 0 H VAL E 99 -12.811 -8.153 -5.248 1.00 0.00 H new ATOM 0 HA VAL E 99 -14.445 -9.796 -5.189 1.00 0.00 H new ATOM 0 HB VAL E 99 -15.703 -10.076 -7.340 1.00 0.00 H new ATOM 0 HG11 VAL E 99 -16.509 -7.703 -7.301 1.00 0.00 H new ATOM 0 HG12 VAL E 99 -16.236 -8.318 -5.653 1.00 0.00 H new ATOM 0 HG13 VAL E 99 -15.044 -7.232 -6.406 1.00 0.00 H new ATOM 0 HG21 VAL E 99 -15.159 -8.523 -9.189 1.00 0.00 H new ATOM 0 HG22 VAL E 99 -13.673 -8.036 -8.338 1.00 0.00 H new ATOM 0 HG23 VAL E 99 -13.856 -9.706 -8.925 1.00 0.00 H new ATOM 1604 N PRO E 100 -14.164 -12.148 -6.428 1.00 0.00 N ATOM 1605 CA PRO E 100 -13.676 -13.506 -6.716 1.00 0.00 C ATOM 1606 C PRO E 100 -13.493 -13.743 -8.224 1.00 0.00 C ATOM 1607 O PRO E 100 -14.312 -14.372 -8.861 1.00 0.00 O ATOM 1608 CB PRO E 100 -14.741 -14.415 -6.097 1.00 0.00 C ATOM 1609 CG PRO E 100 -16.026 -13.565 -5.968 1.00 0.00 C ATOM 1610 CD PRO E 100 -15.590 -12.088 -6.034 1.00 0.00 C ATOM 0 HA PRO E 100 -12.686 -13.697 -6.301 1.00 0.00 H new ATOM 0 HB2 PRO E 100 -14.916 -15.289 -6.724 1.00 0.00 H new ATOM 0 HB3 PRO E 100 -14.419 -14.781 -5.122 1.00 0.00 H new ATOM 0 HG2 PRO E 100 -16.726 -13.798 -6.770 1.00 0.00 H new ATOM 0 HG3 PRO E 100 -16.537 -13.776 -5.028 1.00 0.00 H new ATOM 0 HD2 PRO E 100 -16.181 -11.530 -6.761 1.00 0.00 H new ATOM 0 HD3 PRO E 100 -15.717 -11.592 -5.072 1.00 0.00 H new ATOM 1618 N GLN E 101 -12.397 -13.230 -8.762 1.00 0.00 N ATOM 1619 CA GLN E 101 -12.051 -13.367 -10.224 1.00 0.00 C ATOM 1620 C GLN E 101 -13.133 -14.140 -10.985 1.00 0.00 C ATOM 1621 O GLN E 101 -13.346 -15.311 -10.756 1.00 0.00 O ATOM 1622 CB GLN E 101 -10.693 -14.068 -10.367 1.00 0.00 C ATOM 1623 CG GLN E 101 -9.620 -13.284 -9.595 1.00 0.00 C ATOM 1624 CD GLN E 101 -8.853 -12.352 -10.541 1.00 0.00 C ATOM 1625 OE1 GLN E 101 -9.507 -11.583 -11.367 1.00 0.00 O flip ATOM 1626 NE2 GLN E 101 -7.638 -12.320 -10.519 1.00 0.00 N flip ATOM 0 H GLN E 101 -11.707 -12.704 -8.226 1.00 0.00 H new ATOM 0 HA GLN E 101 -11.993 -12.369 -10.659 1.00 0.00 H new ATOM 0 HB2 GLN E 101 -10.757 -15.087 -9.985 1.00 0.00 H new ATOM 0 HB3 GLN E 101 -10.419 -14.138 -11.420 1.00 0.00 H new ATOM 0 HG2 GLN E 101 -10.087 -12.702 -8.801 1.00 0.00 H new ATOM 0 HG3 GLN E 101 -8.928 -13.977 -9.117 1.00 0.00 H new ATOM 0 HE21 GLN E 101 -7.124 -12.920 -9.874 1.00 0.00 H new ATOM 0 HE22 GLN E 101 -7.133 -11.693 -11.145 1.00 0.00 H new ATOM 1635 N GLN E 102 -13.827 -13.446 -11.864 1.00 0.00 N ATOM 1636 CA GLN E 102 -14.947 -14.036 -12.667 1.00 0.00 C ATOM 1637 C GLN E 102 -16.347 -13.712 -12.065 1.00 0.00 C ATOM 1638 O GLN E 102 -17.318 -14.294 -12.507 1.00 0.00 O ATOM 1639 CB GLN E 102 -14.797 -15.562 -12.781 1.00 0.00 C ATOM 1640 CG GLN E 102 -15.532 -16.252 -11.630 1.00 0.00 C ATOM 1641 CD GLN E 102 -16.881 -16.790 -12.112 1.00 0.00 C ATOM 1642 OE1 GLN E 102 -16.964 -17.435 -13.142 1.00 0.00 O ATOM 1643 NE2 GLN E 102 -17.950 -16.551 -11.403 1.00 0.00 N ATOM 0 H GLN E 102 -13.654 -12.460 -12.062 1.00 0.00 H new ATOM 0 HA GLN E 102 -14.884 -13.580 -13.655 1.00 0.00 H new ATOM 0 HB2 GLN E 102 -15.198 -15.904 -13.735 1.00 0.00 H new ATOM 0 HB3 GLN E 102 -13.741 -15.833 -12.763 1.00 0.00 H new ATOM 0 HG2 GLN E 102 -14.925 -17.069 -11.239 1.00 0.00 H new ATOM 0 HG3 GLN E 102 -15.684 -15.548 -10.812 1.00 0.00 H new ATOM 0 HE21 GLN E 102 -17.880 -16.011 -10.541 1.00 0.00 H new ATOM 0 HE22 GLN E 102 -18.856 -16.904 -11.711 1.00 0.00 H new ATOM 1652 N PRO E 103 -16.456 -12.813 -11.087 1.00 0.00 N ATOM 1653 CA PRO E 103 -17.771 -12.484 -10.495 1.00 0.00 C ATOM 1654 C PRO E 103 -18.515 -11.479 -11.379 1.00 0.00 C ATOM 1655 O PRO E 103 -18.627 -10.316 -11.041 1.00 0.00 O ATOM 1656 CB PRO E 103 -17.416 -11.836 -9.157 1.00 0.00 C ATOM 1657 CG PRO E 103 -15.984 -11.283 -9.317 1.00 0.00 C ATOM 1658 CD PRO E 103 -15.339 -12.056 -10.472 1.00 0.00 C ATOM 0 HA PRO E 103 -18.417 -13.356 -10.391 1.00 0.00 H new ATOM 0 HB2 PRO E 103 -18.117 -11.038 -8.912 1.00 0.00 H new ATOM 0 HB3 PRO E 103 -17.465 -12.563 -8.346 1.00 0.00 H new ATOM 0 HG2 PRO E 103 -16.004 -10.214 -9.530 1.00 0.00 H new ATOM 0 HG3 PRO E 103 -15.414 -11.414 -8.397 1.00 0.00 H new ATOM 0 HD2 PRO E 103 -14.875 -11.380 -11.191 1.00 0.00 H new ATOM 0 HD3 PRO E 103 -14.557 -12.725 -10.113 1.00 0.00 H new ATOM 1666 N THR E 104 -19.024 -11.913 -12.502 1.00 0.00 N ATOM 1667 CA THR E 104 -19.762 -10.977 -13.402 1.00 0.00 C ATOM 1668 C THR E 104 -19.029 -9.635 -13.471 1.00 0.00 C ATOM 1669 O THR E 104 -19.677 -8.646 -13.773 1.00 0.00 O ATOM 1670 CB THR E 104 -21.175 -10.755 -12.858 1.00 0.00 C ATOM 1671 OG1 THR E 104 -21.247 -9.483 -12.230 1.00 0.00 O ATOM 1672 CG2 THR E 104 -21.506 -11.847 -11.841 1.00 0.00 C ATOM 1673 OXT THR E 104 -17.835 -9.619 -13.225 1.00 0.00 O ATOM 0 H THR E 104 -18.961 -12.875 -12.835 1.00 0.00 H new ATOM 0 HA THR E 104 -19.816 -11.409 -14.401 1.00 0.00 H new ATOM 0 HB THR E 104 -21.891 -10.794 -13.679 1.00 0.00 H new ATOM 0 HG1 THR E 104 -21.168 -8.779 -12.907 1.00 0.00 H new ATOM 0 HG21 THR E 104 -22.512 -11.690 -11.453 1.00 0.00 H new ATOM 0 HG22 THR E 104 -21.452 -12.823 -12.324 1.00 0.00 H new ATOM 0 HG23 THR E 104 -20.790 -11.808 -11.020 1.00 0.00 H new TER 1681 THR E 104 ATOM 1682 N ASP I 1 -2.311 13.694 11.307 1.00 0.00 N ATOM 1683 CA ASP I 1 -3.619 12.988 11.417 1.00 0.00 C ATOM 1684 C ASP I 1 -3.448 11.526 11.001 1.00 0.00 C ATOM 1685 O ASP I 1 -3.969 11.094 9.992 1.00 0.00 O ATOM 1686 CB ASP I 1 -4.639 13.663 10.499 1.00 0.00 C ATOM 1687 CG ASP I 1 -5.419 14.716 11.287 1.00 0.00 C ATOM 1688 OD1 ASP I 1 -5.362 14.679 12.505 1.00 0.00 O ATOM 1689 OD2 ASP I 1 -6.061 15.543 10.659 1.00 0.00 O ATOM 0 H1 ASP I 1 -2.428 14.688 11.590 1.00 0.00 H new ATOM 0 H2 ASP I 1 -1.616 13.236 11.930 1.00 0.00 H new ATOM 0 H3 ASP I 1 -1.975 13.651 10.324 1.00 0.00 H new ATOM 0 HA ASP I 1 -3.970 13.032 12.448 1.00 0.00 H new ATOM 0 HB2 ASP I 1 -4.131 14.128 9.654 1.00 0.00 H new ATOM 0 HB3 ASP I 1 -5.323 12.920 10.090 1.00 0.00 H new ATOM 1696 N ASP I 2 -2.721 10.760 11.769 1.00 0.00 N ATOM 1697 CA ASP I 2 -2.519 9.328 11.412 1.00 0.00 C ATOM 1698 C ASP I 2 -3.330 8.445 12.370 1.00 0.00 C ATOM 1699 O ASP I 2 -3.367 8.699 13.558 1.00 0.00 O ATOM 1700 CB ASP I 2 -1.034 8.977 11.530 1.00 0.00 C ATOM 1701 CG ASP I 2 -0.189 10.176 11.093 1.00 0.00 C ATOM 1702 OD1 ASP I 2 -0.703 10.999 10.354 1.00 0.00 O ATOM 1703 OD2 ASP I 2 0.957 10.249 11.503 1.00 0.00 O ATOM 0 H ASP I 2 -2.259 11.064 12.626 1.00 0.00 H new ATOM 0 HA ASP I 2 -2.852 9.158 10.388 1.00 0.00 H new ATOM 0 HB2 ASP I 2 -0.794 8.705 12.558 1.00 0.00 H new ATOM 0 HB3 ASP I 2 -0.804 8.111 10.909 1.00 0.00 H new ATOM 1708 N PRO I 3 -3.955 7.433 11.823 1.00 0.00 N ATOM 1709 CA PRO I 3 -4.776 6.491 12.604 1.00 0.00 C ATOM 1710 C PRO I 3 -3.884 5.461 13.302 1.00 0.00 C ATOM 1711 O PRO I 3 -4.275 4.837 14.268 1.00 0.00 O ATOM 1712 CB PRO I 3 -5.643 5.810 11.544 1.00 0.00 C ATOM 1713 CG PRO I 3 -4.888 5.961 10.202 1.00 0.00 C ATOM 1714 CD PRO I 3 -3.906 7.135 10.378 1.00 0.00 C ATOM 0 HA PRO I 3 -5.359 6.979 13.385 1.00 0.00 H new ATOM 0 HB2 PRO I 3 -5.799 4.759 11.786 1.00 0.00 H new ATOM 0 HB3 PRO I 3 -6.628 6.274 11.490 1.00 0.00 H new ATOM 0 HG2 PRO I 3 -4.354 5.044 9.953 1.00 0.00 H new ATOM 0 HG3 PRO I 3 -5.584 6.157 9.386 1.00 0.00 H new ATOM 0 HD2 PRO I 3 -2.899 6.863 10.061 1.00 0.00 H new ATOM 0 HD3 PRO I 3 -4.205 7.998 9.783 1.00 0.00 H new ATOM 1722 N SER I 4 -2.693 5.273 12.806 1.00 0.00 N ATOM 1723 CA SER I 4 -1.772 4.277 13.420 1.00 0.00 C ATOM 1724 C SER I 4 -2.192 2.874 12.987 1.00 0.00 C ATOM 1725 O SER I 4 -3.109 2.700 12.211 1.00 0.00 O ATOM 1726 CB SER I 4 -1.830 4.375 14.945 1.00 0.00 C ATOM 1727 OG SER I 4 -1.853 5.743 15.328 1.00 0.00 O ATOM 0 H SER I 4 -2.316 5.769 11.998 1.00 0.00 H new ATOM 0 HA SER I 4 -0.753 4.480 13.090 1.00 0.00 H new ATOM 0 HB2 SER I 4 -2.718 3.866 15.320 1.00 0.00 H new ATOM 0 HB3 SER I 4 -0.967 3.877 15.386 1.00 0.00 H new ATOM 0 HG SER I 4 -1.892 5.809 16.305 1.00 0.00 H new HETATM 1733 N PTR I 5 -1.521 1.874 13.481 1.00 0.00 N HETATM 1734 CA PTR I 5 -1.864 0.477 13.103 1.00 0.00 C HETATM 1735 C PTR I 5 -1.967 -0.372 14.371 1.00 0.00 C HETATM 1736 O PTR I 5 -1.002 -0.568 15.044 1.00 0.00 O HETATM 1737 CB PTR I 5 -0.755 -0.059 12.192 1.00 0.00 C HETATM 1738 CG PTR I 5 -0.237 1.090 11.372 1.00 0.00 C HETATM 1739 CD1 PTR I 5 -1.028 1.626 10.354 1.00 0.00 C HETATM 1740 CD2 PTR I 5 1.014 1.638 11.651 1.00 0.00 C HETATM 1741 CE1 PTR I 5 -0.568 2.719 9.612 1.00 0.00 C HETATM 1742 CE2 PTR I 5 1.482 2.727 10.906 1.00 0.00 C HETATM 1743 CZ PTR I 5 0.690 3.270 9.888 1.00 0.00 C HETATM 1744 OH PTR I 5 1.161 4.394 9.141 1.00 0.00 O HETATM 1745 P PTR I 5 1.304 4.315 7.543 1.00 0.00 P HETATM 1746 O1P PTR I 5 1.892 5.621 7.172 1.00 0.00 O HETATM 1747 O2P PTR I 5 2.200 3.158 7.326 1.00 0.00 O HETATM 1748 O3P PTR I 5 -0.083 4.114 7.070 1.00 0.00 O HETATM 0 HE2 PTR I 5 2.463 3.152 11.119 1.00 0.00 H new HETATM 0 HE1 PTR I 5 -1.187 3.141 8.821 1.00 0.00 H new HETATM 0 HD2 PTR I 5 1.627 1.219 12.449 1.00 0.00 H new HETATM 0 HD1 PTR I 5 -2.004 1.193 10.137 1.00 0.00 H new HETATM 0 HB3 PTR I 5 0.048 -0.497 12.785 1.00 0.00 H new HETATM 0 HB2 PTR I 5 -1.140 -0.847 11.545 1.00 0.00 H new HETATM 0 HA PTR I 5 -2.818 0.440 12.577 1.00 0.00 H new HETATM 0 H PTR I 5 -1.396 2.121 14.463 1.00 0.00 H new ATOM 1757 N VAL I 6 -3.142 -0.850 14.692 1.00 0.00 N ATOM 1758 CA VAL I 6 -3.358 -1.687 15.930 1.00 0.00 C ATOM 1759 C VAL I 6 -2.042 -2.021 16.667 1.00 0.00 C ATOM 1760 O VAL I 6 -1.815 -1.559 17.768 1.00 0.00 O ATOM 1761 CB VAL I 6 -4.051 -2.982 15.537 1.00 0.00 C ATOM 1762 CG1 VAL I 6 -3.845 -3.194 14.051 1.00 0.00 C ATOM 1763 CG2 VAL I 6 -3.466 -4.165 16.325 1.00 0.00 C ATOM 0 H VAL I 6 -3.986 -0.696 14.140 1.00 0.00 H new ATOM 0 HA VAL I 6 -3.972 -1.102 16.615 1.00 0.00 H new ATOM 0 HB VAL I 6 -5.115 -2.919 15.766 1.00 0.00 H new ATOM 0 HG11 VAL I 6 -4.334 -4.119 13.744 1.00 0.00 H new ATOM 0 HG12 VAL I 6 -4.274 -2.357 13.501 1.00 0.00 H new ATOM 0 HG13 VAL I 6 -2.778 -3.259 13.837 1.00 0.00 H new ATOM 0 HG21 VAL I 6 -3.973 -5.084 16.032 1.00 0.00 H new ATOM 0 HG22 VAL I 6 -2.401 -4.254 16.111 1.00 0.00 H new ATOM 0 HG23 VAL I 6 -3.608 -3.997 17.393 1.00 0.00 H new ATOM 1773 N ASN I 7 -1.184 -2.843 16.092 1.00 0.00 N ATOM 1774 CA ASN I 7 0.081 -3.207 16.812 1.00 0.00 C ATOM 1775 C ASN I 7 0.946 -1.966 17.019 1.00 0.00 C ATOM 1776 O ASN I 7 1.441 -1.741 18.103 1.00 0.00 O ATOM 1777 CB ASN I 7 0.856 -4.309 16.056 1.00 0.00 C ATOM 1778 CG ASN I 7 1.491 -3.816 14.739 1.00 0.00 C ATOM 1779 OD1 ASN I 7 2.093 -2.772 14.658 1.00 0.00 O ATOM 1780 ND2 ASN I 7 1.373 -4.550 13.680 1.00 0.00 N ATOM 0 H ASN I 7 -1.304 -3.268 15.173 1.00 0.00 H new ATOM 0 HA ASN I 7 -0.183 -3.608 17.790 1.00 0.00 H new ATOM 0 HB2 ASN I 7 1.639 -4.702 16.704 1.00 0.00 H new ATOM 0 HB3 ASN I 7 0.179 -5.135 15.838 1.00 0.00 H new ATOM 0 HD21 ASN I 7 1.784 -4.243 12.798 1.00 0.00 H new ATOM 0 HD22 ASN I 7 0.869 -5.435 13.727 1.00 0.00 H new ATOM 1787 N VAL I 8 1.104 -1.172 15.990 1.00 0.00 N ATOM 1788 CA VAL I 8 1.903 0.091 16.061 1.00 0.00 C ATOM 1789 C VAL I 8 2.289 0.424 17.497 1.00 0.00 C ATOM 1790 O VAL I 8 1.443 0.557 18.359 1.00 0.00 O ATOM 1791 CB VAL I 8 1.041 1.223 15.540 1.00 0.00 C ATOM 1792 CG1 VAL I 8 -0.173 1.362 16.461 1.00 0.00 C ATOM 1793 CG2 VAL I 8 1.861 2.509 15.556 1.00 0.00 C ATOM 0 H VAL I 8 0.698 -1.354 15.072 1.00 0.00 H new ATOM 0 HA VAL I 8 2.811 -0.039 15.472 1.00 0.00 H new ATOM 0 HB VAL I 8 0.708 1.024 14.522 1.00 0.00 H new ATOM 0 HG11 VAL I 8 -0.809 2.172 16.105 1.00 0.00 H new ATOM 0 HG12 VAL I 8 -0.738 0.430 16.461 1.00 0.00 H new ATOM 0 HG13 VAL I 8 0.162 1.583 17.474 1.00 0.00 H new ATOM 0 HG21 VAL I 8 1.253 3.333 15.183 1.00 0.00 H new ATOM 0 HG22 VAL I 8 2.179 2.725 16.576 1.00 0.00 H new ATOM 0 HG23 VAL I 8 2.738 2.389 14.920 1.00 0.00 H new ATOM 1803 N GLN I 9 3.549 0.566 17.772 1.00 0.00 N ATOM 1804 CA GLN I 9 3.946 0.889 19.162 1.00 0.00 C ATOM 1805 C GLN I 9 3.124 2.076 19.662 1.00 0.00 C ATOM 1806 O GLN I 9 2.714 2.928 18.898 1.00 0.00 O ATOM 1807 CB GLN I 9 5.439 1.226 19.215 1.00 0.00 C ATOM 1808 CG GLN I 9 5.690 2.563 18.516 1.00 0.00 C ATOM 1809 CD GLN I 9 7.085 3.073 18.882 1.00 0.00 C ATOM 1810 OE1 GLN I 9 7.276 3.651 19.934 1.00 0.00 O ATOM 1811 NE2 GLN I 9 8.076 2.882 18.054 1.00 0.00 N ATOM 0 H GLN I 9 4.314 0.474 17.103 1.00 0.00 H new ATOM 0 HA GLN I 9 3.759 0.026 19.801 1.00 0.00 H new ATOM 0 HB2 GLN I 9 5.774 1.278 20.251 1.00 0.00 H new ATOM 0 HB3 GLN I 9 6.017 0.438 18.732 1.00 0.00 H new ATOM 0 HG2 GLN I 9 5.606 2.443 17.436 1.00 0.00 H new ATOM 0 HG3 GLN I 9 4.935 3.290 18.815 1.00 0.00 H new ATOM 0 HE21 GLN I 9 7.917 2.397 17.171 1.00 0.00 H new ATOM 0 HE22 GLN I 9 9.010 3.218 18.290 1.00 0.00 H new ATOM 1820 N ASN I 10 2.872 2.132 20.943 1.00 0.00 N ATOM 1821 CA ASN I 10 2.072 3.259 21.499 1.00 0.00 C ATOM 1822 C ASN I 10 2.530 4.571 20.863 1.00 0.00 C ATOM 1823 O ASN I 10 3.563 4.635 20.226 1.00 0.00 O ATOM 1824 CB ASN I 10 2.273 3.329 23.014 1.00 0.00 C ATOM 1825 CG ASN I 10 0.966 2.957 23.720 1.00 0.00 C ATOM 1826 OD1 ASN I 10 0.525 3.654 24.612 1.00 0.00 O ATOM 1827 ND2 ASN I 10 0.322 1.881 23.354 1.00 0.00 N ATOM 0 H ASN I 10 3.187 1.445 21.628 1.00 0.00 H new ATOM 0 HA ASN I 10 1.016 3.098 21.280 1.00 0.00 H new ATOM 0 HB2 ASN I 10 3.069 2.649 23.318 1.00 0.00 H new ATOM 0 HB3 ASN I 10 2.583 4.333 23.305 1.00 0.00 H new ATOM 0 HD21 ASN I 10 -0.550 1.627 23.817 1.00 0.00 H new ATOM 0 HD22 ASN I 10 0.692 1.295 22.605 1.00 0.00 H new ATOM 1834 N LEU I 11 1.771 5.619 21.026 1.00 0.00 N ATOM 1835 CA LEU I 11 2.167 6.922 20.424 1.00 0.00 C ATOM 1836 C LEU I 11 3.278 7.564 21.259 1.00 0.00 C ATOM 1837 O LEU I 11 3.708 8.667 20.986 1.00 0.00 O ATOM 1838 CB LEU I 11 0.954 7.853 20.380 1.00 0.00 C ATOM 1839 CG LEU I 11 0.717 8.304 18.939 1.00 0.00 C ATOM 1840 CD1 LEU I 11 -0.770 8.176 18.602 1.00 0.00 C ATOM 1841 CD2 LEU I 11 1.153 9.763 18.783 1.00 0.00 C ATOM 0 H LEU I 11 0.895 5.629 21.549 1.00 0.00 H new ATOM 0 HA LEU I 11 2.533 6.754 19.411 1.00 0.00 H new ATOM 0 HB2 LEU I 11 0.072 7.339 20.762 1.00 0.00 H new ATOM 0 HB3 LEU I 11 1.121 8.718 21.021 1.00 0.00 H new ATOM 0 HG LEU I 11 1.297 7.677 18.262 1.00 0.00 H new ATOM 0 HD11 LEU I 11 -0.939 8.498 17.574 1.00 0.00 H new ATOM 0 HD12 LEU I 11 -1.080 7.137 18.713 1.00 0.00 H new ATOM 0 HD13 LEU I 11 -1.352 8.802 19.279 1.00 0.00 H new ATOM 0 HD21 LEU I 11 0.984 10.085 17.755 1.00 0.00 H new ATOM 0 HD22 LEU I 11 0.573 10.390 19.460 1.00 0.00 H new ATOM 0 HD23 LEU I 11 2.213 9.854 19.022 1.00 0.00 H new ATOM 1853 N ASP I 12 3.750 6.886 22.271 1.00 0.00 N ATOM 1854 CA ASP I 12 4.836 7.463 23.113 1.00 0.00 C ATOM 1855 C ASP I 12 5.891 8.104 22.208 1.00 0.00 C ATOM 1856 O ASP I 12 6.412 9.163 22.497 1.00 0.00 O ATOM 1857 CB ASP I 12 5.485 6.352 23.942 1.00 0.00 C ATOM 1858 CG ASP I 12 4.523 5.910 25.048 1.00 0.00 C ATOM 1859 OD1 ASP I 12 3.333 5.861 24.785 1.00 0.00 O ATOM 1860 OD2 ASP I 12 4.993 5.628 26.138 1.00 0.00 O ATOM 0 H ASP I 12 3.430 5.958 22.550 1.00 0.00 H new ATOM 0 HA ASP I 12 4.418 8.217 23.780 1.00 0.00 H new ATOM 0 HB2 ASP I 12 5.734 5.505 23.303 1.00 0.00 H new ATOM 0 HB3 ASP I 12 6.418 6.708 24.378 1.00 0.00 H new ATOM 1865 N LYS I 13 6.206 7.469 21.112 1.00 0.00 N ATOM 1866 CA LYS I 13 7.223 8.038 20.184 1.00 0.00 C ATOM 1867 C LYS I 13 8.534 8.270 20.938 1.00 0.00 C ATOM 1868 O LYS I 13 8.612 9.246 21.665 1.00 0.00 O ATOM 1869 CB LYS I 13 6.712 9.368 19.625 1.00 0.00 C ATOM 1870 CG LYS I 13 5.675 9.098 18.532 1.00 0.00 C ATOM 1871 CD LYS I 13 6.371 8.508 17.304 1.00 0.00 C ATOM 1872 CE LYS I 13 5.640 7.239 16.861 1.00 0.00 C ATOM 1873 NZ LYS I 13 5.753 6.203 17.926 1.00 0.00 N ATOM 1874 OXT LYS I 13 9.437 7.465 20.776 1.00 0.00 O ATOM 0 H LYS I 13 5.802 6.579 20.819 1.00 0.00 H new ATOM 0 HA LYS I 13 7.397 7.341 19.365 1.00 0.00 H new ATOM 0 HB2 LYS I 13 6.268 9.963 20.423 1.00 0.00 H new ATOM 0 HB3 LYS I 13 7.542 9.947 19.219 1.00 0.00 H new ATOM 0 HG2 LYS I 13 4.915 8.408 18.899 1.00 0.00 H new ATOM 0 HG3 LYS I 13 5.164 10.023 18.264 1.00 0.00 H new ATOM 0 HD2 LYS I 13 6.380 9.237 16.493 1.00 0.00 H new ATOM 0 HD3 LYS I 13 7.411 8.278 17.538 1.00 0.00 H new ATOM 0 HE2 LYS I 13 4.591 7.461 16.664 1.00 0.00 H new ATOM 0 HE3 LYS I 13 6.067 6.867 15.930 1.00 0.00 H new ATOM 0 HZ1 LYS I 13 5.186 5.372 17.663 1.00 0.00 H new ATOM 0 HZ2 LYS I 13 6.749 5.923 18.034 1.00 0.00 H new ATOM 0 HZ3 LYS I 13 5.403 6.590 18.826 1.00 0.00 H new TER 1888 LYS I 13 CONECT 1724 1733 CONECT 1733 1724 1734 1749 CONECT 1734 1733 1735 1737 1750 CONECT 1735 1734 1736 1757 CONECT 1736 1735 CONECT 1737 1734 1738 1751 1752 CONECT 1738 1737 1739 1740 CONECT 1739 1738 1741 1753 CONECT 1740 1738 1742 1754 CONECT 1741 1739 1743 1755 CONECT 1742 1740 1743 1756 CONECT 1743 1741 1742 1744 CONECT 1744 1743 1745 CONECT 1745 1744 1746 1747 1748 CONECT 1746 1745 CONECT 1747 1745 CONECT 1748 1745 CONECT 1749 1733 CONECT 1750 1734 CONECT 1751 1737 CONECT 1752 1737 CONECT 1753 1739 CONECT 1754 1740 CONECT 1755 1741 CONECT 1756 1742 CONECT 1757 1735 END