USER MOD reduce.3.24.130724 H: found=0, std=0, add=1588, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1588 hydrogens (0 hets) HEADER TRANSCRIPTION FACTOR 29-JUL-96 1WTU TITLE TRANSCRIPTION FACTOR 1, NMR, MINIMIZED AVERAGE STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: TRANSCRIPTION FACTOR 1; COMPND 3 CHAIN: A, B; COMPND 4 SYNONYM: TF1; COMPND 5 ENGINEERED: YES; COMPND 6 OTHER_DETAILS: THIS PROTEIN IS THE BACILLUS SUBTILIS PHAGE COMPND 7 SPO1-ENCODED TYPE II DNA-BINDING PROTEIN SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS PHAGE SPO1; SOURCE 3 ORGANISM_TAXID: 10685; SOURCE 4 GENE: TF1; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_PLASMID: PKJB842; SOURCE 8 EXPRESSION_SYSTEM_GENE: TF1 KEYWDS TRANSCRIPTION FACTOR, TYPE II DNA-BINDING PROTEIN, NMR EXPDTA SOLUTION NMR AUTHOR X.JIA,A.GROVE,M.IVANCIC,V.L.HSU,E.P.GEIDUSCHEK,D.R.KEARNS REVDAT 2 24-FEB-09 1WTU 1 VERSN REVDAT 1 12-FEB-97 1WTU 0 JRNL AUTH X.JIA,A.GROVE,M.IVANCIC,V.L.HSU,E.P.GEIDUSCHECK, JRNL AUTH 2 D.R.KEARNS JRNL TITL STRUCTURE OF THE BACILLUS SUBTILIS PHAGE JRNL TITL 2 SPO1-ENCODED TYPE II DNA-BINDING PROTEIN TF1 IN JRNL TITL 3 SOLUTION. JRNL REF J.MOL.BIOL. V. 263 259 1996 JRNL REFN ISSN 0022-2836 JRNL PMID 8913305 JRNL DOI 10.1006/JMBI.1996.0573 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH X.JIA,J.M.REISMAN,V.L.HSU,E.P.GEIDUSCHEK,J.PARELLO, REMARK 1 AUTH 2 D.R.KEARNS REMARK 1 TITL PROTON AND NITROGEN NMR SEQUENCE-SPECIFIC REMARK 1 TITL 2 ASSIGNMENTS AND SECONDARY STRUCTURE DETERMINATION REMARK 1 TITL 3 OF THE BACILLUS SUBTILIS SPO1-ENCODED REMARK 1 TITL 4 TRANSCRIPTION FACTOR 1 REMARK 1 REF BIOCHEMISTRY V. 33 8842 1994 REMARK 1 REFN ISSN 0006-2960 REMARK 1 REFERENCE 2 REMARK 1 AUTH I.TANAKA,K.APPELT,J.DIJK,S.W.WHITE,K.S.WILSON REMARK 1 TITL 3-A RESOLUTION STRUCTURE OF A PROTEIN WITH REMARK 1 TITL 2 HISTONE-LIKE PROPERTIES IN PROKARYOTES REMARK 1 REF NATURE V. 310 376 1984 REMARK 1 REFN ISSN 0028-0836 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1WTU COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : NULL REMARK 210 PH : NULL REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : NULL REMARK 210 SPECTROMETER MODEL : NULL REMARK 210 SPECTROMETER MANUFACTURER : NULL REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : NULL REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 SER A 74 N - CA - CB ANGL. DEV. = -11.7 DEGREES REMARK 500 TYR A 94 CB - CG - CD2 ANGL. DEV. = -7.0 DEGREES REMARK 500 TYR A 94 CB - CG - CD1 ANGL. DEV. = -5.2 DEGREES REMARK 500 PHE A 97 CB - CG - CD1 ANGL. DEV. = -5.6 DEGREES REMARK 500 TYR B 94 CB - CG - CD2 ANGL. DEV. = -4.6 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ASN A 2 -90.62 63.41 REMARK 500 ASP A 13 -80.21 -109.98 REMARK 500 LEU A 16 -61.48 -6.46 REMARK 500 THR A 33 -52.71 -26.77 REMARK 500 THR A 35 -75.80 -59.36 REMARK 500 ALA A 37 -74.02 -46.63 REMARK 500 ASP A 40 -54.85 -27.15 REMARK 500 LYS A 41 105.70 -43.00 REMARK 500 THR A 45 50.43 34.99 REMARK 500 PHE A 47 -51.62 -136.40 REMARK 500 LYS A 51 108.84 -163.12 REMARK 500 ARG A 55 85.36 -165.43 REMARK 500 GLN A 56 -51.11 -135.44 REMARK 500 ALA A 57 102.17 55.16 REMARK 500 ARG A 58 97.83 177.04 REMARK 500 LYS A 59 -93.68 -75.25 REMARK 500 ASN A 62 172.84 163.90 REMARK 500 GLN A 64 -80.47 -157.31 REMARK 500 GLN A 66 30.85 131.25 REMARK 500 GLU A 67 86.16 40.94 REMARK 500 ALA A 68 -87.57 -172.35 REMARK 500 LEU A 69 -81.17 80.21 REMARK 500 GLU A 70 -112.13 -121.28 REMARK 500 VAL A 75 154.67 172.29 REMARK 500 GLU A 83 -25.49 -33.41 REMARK 500 ALA A 89 10.72 -66.53 REMARK 500 ASN B 2 -84.39 -137.56 REMARK 500 ASP B 13 -80.65 -109.98 REMARK 500 THR B 14 -165.34 -74.15 REMARK 500 GLU B 15 19.43 49.84 REMARK 500 LEU B 16 -47.10 -23.51 REMARK 500 THR B 35 -82.57 -53.59 REMARK 500 ASP B 40 -71.91 -19.78 REMARK 500 LYS B 41 113.89 -29.78 REMARK 500 PHE B 47 -42.04 -132.70 REMARK 500 LYS B 51 88.82 -156.55 REMARK 500 ARG B 55 72.70 -153.63 REMARK 500 GLN B 56 -165.06 28.53 REMARK 500 LYS B 59 98.99 39.37 REMARK 500 ASN B 62 -159.47 165.44 REMARK 500 GLN B 64 -61.66 -175.70 REMARK 500 GLN B 66 130.75 1.18 REMARK 500 GLU B 67 93.42 0.02 REMARK 500 ALA B 68 -106.96 -163.37 REMARK 500 LEU B 69 175.46 56.65 REMARK 500 GLU B 70 63.41 -110.96 REMARK 500 ALA B 72 -38.95 -176.85 REMARK 500 SER B 74 -156.23 56.93 REMARK 500 VAL B 75 -48.31 -130.34 REMARK 500 PRO B 81 -158.86 -99.71 REMARK 500 GLU B 83 -79.80 38.59 REMARK 500 GLU B 90 -70.56 -46.74 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS REMARK 500 REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH REMARK 500 CIS AND TRANS CONFORMATION. CIS BONDS, IF ANY, ARE LISTED REMARK 500 ON CISPEP RECORDS. TRANS IS DEFINED AS 180 +/- 30 AND REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES. REMARK 500 MODEL OMEGA REMARK 500 ALA B 54 ARG B 55 138.51 REMARK 500 PHE B 61 ASN B 62 -144.98 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 ARG A 55 0.22 SIDE_CHAIN REMARK 500 ARG A 58 0.27 SIDE_CHAIN REMARK 500 TYR A 94 0.22 SIDE_CHAIN REMARK 500 PHE A 97 0.13 SIDE_CHAIN REMARK 500 ARG B 55 0.32 SIDE_CHAIN REMARK 500 ARG B 58 0.23 SIDE_CHAIN REMARK 500 TYR B 94 0.14 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: MAIN CHAIN PLANARITY REMARK 500 REMARK 500 THE FOLLOWING RESIDUES HAVE A PSEUDO PLANARITY REMARK 500 TORSION, C(I) - CA(I) - N(I+1) - O(I), GREATER REMARK 500 10.0 DEGREES. (M=MODEL NUMBER; RES=RESIDUE NAME; REMARK 500 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 500 I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI ANGLE REMARK 500 TYR A 94 12.31 REMARK 500 ALA B 54 -11.83 REMARK 500 ARG B 55 -10.49 REMARK 500 PHE B 61 13.54 REMARK 500 TYR B 94 10.26 REMARK 500 REMARK 500 REMARK: NULL DBREF 1WTU A 1 99 UNP P04445 TF1_BPSP1 1 99 DBREF 1WTU B 1 99 UNP P04445 TF1_BPSP1 1 99 SEQRES 1 A 99 MET ASN LYS THR GLU LEU ILE LYS ALA ILE ALA GLN ASP SEQRES 2 A 99 THR GLU LEU THR GLN VAL SER VAL SER LYS MET LEU ALA SEQRES 3 A 99 SER PHE GLU LYS ILE THR THR GLU THR VAL ALA LYS GLY SEQRES 4 A 99 ASP LYS VAL GLN LEU THR GLY PHE LEU ASN ILE LYS PRO SEQRES 5 A 99 VAL ALA ARG GLN ALA ARG LYS GLY PHE ASN PRO GLN THR SEQRES 6 A 99 GLN GLU ALA LEU GLU ILE ALA PRO SER VAL GLY VAL SER SEQRES 7 A 99 VAL LYS PRO GLY GLU SER LEU LYS LYS ALA ALA GLU GLY SEQRES 8 A 99 LEU LYS TYR GLU ASP PHE ALA LYS SEQRES 1 B 99 MET ASN LYS THR GLU LEU ILE LYS ALA ILE ALA GLN ASP SEQRES 2 B 99 THR GLU LEU THR GLN VAL SER VAL SER LYS MET LEU ALA SEQRES 3 B 99 SER PHE GLU LYS ILE THR THR GLU THR VAL ALA LYS GLY SEQRES 4 B 99 ASP LYS VAL GLN LEU THR GLY PHE LEU ASN ILE LYS PRO SEQRES 5 B 99 VAL ALA ARG GLN ALA ARG LYS GLY PHE ASN PRO GLN THR SEQRES 6 B 99 GLN GLU ALA LEU GLU ILE ALA PRO SER VAL GLY VAL SER SEQRES 7 B 99 VAL LYS PRO GLY GLU SER LEU LYS LYS ALA ALA GLU GLY SEQRES 8 B 99 LEU LYS TYR GLU ASP PHE ALA LYS HELIX 1 1 LYS A 3 GLN A 12 1 10 HELIX 2 2 GLN A 18 GLY A 39 1 22 HELIX 3 3 GLU A 83 GLU A 90 1 8 HELIX 4 4 LYS A 93 ASP A 96 1 4 HELIX 5 5 LYS B 3 GLN B 12 1 10 HELIX 6 6 GLN B 18 GLY B 39 1 22 HELIX 7 7 SER B 84 ALA B 89 1 6 SHEET 1 A 2 ASN A 49 PRO A 52 0 SHEET 2 A 2 VAL A 77 LYS A 80 -1 N LYS A 80 O ASN A 49 SHEET 1 B 2 ASN B 49 VAL B 53 0 SHEET 2 B 2 GLY B 76 LYS B 80 -1 N LYS B 80 O ASN B 49 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 74 SER OG : rot 119:sc= -0.0996 USER MOD Set 1.2: B 94 TYR OH : rot 54:sc= -5.05! USER MOD Set 2.1: A 24 MET CE :methyl -151:sc= -0.189 (180deg=-0.0922) USER MOD Set 2.2: B 24 MET CE :methyl -144:sc= -0.0451 (180deg=-0.847) USER MOD Set 3.1: A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 2 ASN : amide:sc= -1.53 K(o=-1.5,f=-2.6!) USER MOD Set 3.3: B 43 GLN : amide:sc= 0 X(o=-1.5,f=-1.5) USER MOD Single : A 1 MET N :NH3+ -149:sc= -0.155 (180deg=-1.1) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.0239 X(o=-0.024,f=0) USER MOD Single : A 14 THR OG1 : rot 113:sc= -6.12! USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot -150:sc= 0.033 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 80:sc= -0.115 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot -160:sc= -0.197 USER MOD Single : A 33 THR OG1 : rot 97:sc= 1.13 USER MOD Single : A 35 THR OG1 : rot -37:sc= 0.174 USER MOD Single : A 38 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0648) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -0.148 X(o=-0.15,f=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= -1.8 USER MOD Single : A 49 ASN : amide:sc= -1.19 K(o=-1.2,f=-6.3!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.174 K(o=-0.17,f=-0.7) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN :FLIP amide:sc= -4.39! C(o=-5.4!,f=-4.4!) USER MOD Single : A 64 GLN : amide:sc= -1.22 K(o=-1.2,f=-3.2!) USER MOD Single : A 65 THR OG1 : rot 98:sc= 2.11 USER MOD Single : A 66 GLN : amide:sc= -0.0287 X(o=-0.029,f=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 167:sc= 0.272 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ -109:sc= 0.439 (180deg=-0.26) USER MOD Single : A 94 TYR OH : rot 180:sc= -2.76 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -161:sc= 0 (180deg=-0.508) USER MOD Single : B 2 ASN : amide:sc= -1.09 K(o=-1.1,f=-4.6!) USER MOD Single : B 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 4 THR OG1 : rot 180:sc= 0 USER MOD Single : B 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 GLN : amide:sc= -0.418 K(o=-0.42,f=-2.9!) USER MOD Single : B 14 THR OG1 : rot -110:sc= -2.28 USER MOD Single : B 17 THR OG1 : rot 180:sc= 0 USER MOD Single : B 18 GLN : amide:sc=-0.00151 X(o=-0.0015,f=-0.28) USER MOD Single : B 20 SER OG : rot -25:sc= 0.329 USER MOD Single : B 22 SER OG : rot 180:sc= 0 USER MOD Single : B 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 SER OG : rot 180:sc= -1.21 USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 THR OG1 : rot -119:sc= -2.22 USER MOD Single : B 33 THR OG1 : rot 180:sc= 0 USER MOD Single : B 35 THR OG1 : rot -12:sc= -0.948 USER MOD Single : B 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 41 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.145) USER MOD Single : B 45 THR OG1 : rot -47:sc= 0.47 USER MOD Single : B 49 ASN : amide:sc= -0.615 K(o=-0.62,f=-1.8) USER MOD Single : B 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 62 ASN : amide:sc= -1.19 K(o=-1.2,f=-2.7!) USER MOD Single : B 64 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : B 65 THR OG1 : rot 180:sc= 0.0563 USER MOD Single : B 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 74 SER OG : rot -9:sc= 0.832 USER MOD Single : B 78 SER OG : rot 180:sc= 0 USER MOD Single : B 80 LYS NZ :NH3+ 148:sc= -0.138 (180deg=-0.635) USER MOD Single : B 84 SER OG : rot 180:sc= 0 USER MOD Single : B 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 87 LYS NZ :NH3+ 161:sc= -0.0147 (180deg=-0.177) USER MOD Single : B 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 36.939 10.852 8.871 1.00 1.83 N ATOM 2 CA MET A 1 36.206 11.942 8.168 1.00 0.84 C ATOM 3 C MET A 1 34.792 11.469 7.822 1.00 0.75 C ATOM 4 O MET A 1 34.614 10.691 6.901 1.00 1.05 O ATOM 5 CB MET A 1 36.956 12.311 6.883 1.00 1.38 C ATOM 6 CG MET A 1 36.926 13.828 6.684 1.00 1.82 C ATOM 7 SD MET A 1 37.932 14.268 5.245 1.00 2.69 S ATOM 8 CE MET A 1 37.595 16.045 5.269 1.00 3.10 C ATOM 0 H1 MET A 1 37.620 11.266 9.539 1.00 1.83 H new ATOM 0 H2 MET A 1 36.262 10.257 9.390 1.00 1.83 H new ATOM 0 H3 MET A 1 37.447 10.270 8.175 1.00 1.83 H new ATOM 0 HA MET A 1 36.143 12.816 8.816 1.00 0.84 H new ATOM 0 HB2 MET A 1 37.987 11.963 6.940 1.00 1.38 H new ATOM 0 HB3 MET A 1 36.498 11.814 6.028 1.00 1.38 H new ATOM 0 HG2 MET A 1 35.900 14.166 6.541 1.00 1.82 H new ATOM 0 HG3 MET A 1 37.306 14.330 7.574 1.00 1.82 H new ATOM 0 HE1 MET A 1 38.127 16.527 4.449 1.00 3.10 H new ATOM 0 HE2 MET A 1 36.524 16.214 5.156 1.00 3.10 H new ATOM 0 HE3 MET A 1 37.931 16.466 6.217 1.00 3.10 H new ATOM 20 N ASN A 2 33.812 11.966 8.542 1.00 0.78 N ATOM 21 CA ASN A 2 32.379 11.628 8.279 1.00 0.71 C ATOM 22 C ASN A 2 32.137 10.124 8.506 1.00 0.68 C ATOM 23 O ASN A 2 31.821 9.722 9.617 1.00 0.66 O ATOM 24 CB ASN A 2 32.017 12.052 6.850 1.00 0.89 C ATOM 25 CG ASN A 2 31.845 13.570 6.787 1.00 1.39 C ATOM 26 OD1 ASN A 2 32.631 14.308 7.348 1.00 2.08 O ATOM 27 ND2 ASN A 2 30.852 14.069 6.105 1.00 1.84 N ATOM 0 H ASN A 2 33.953 12.609 9.321 1.00 0.78 H new ATOM 0 HA ASN A 2 31.735 12.169 8.973 1.00 0.71 H new ATOM 0 HB2 ASN A 2 32.798 11.737 6.159 1.00 0.89 H new ATOM 0 HB3 ASN A 2 31.096 11.559 6.537 1.00 0.89 H new ATOM 0 HD21 ASN A 2 30.734 15.080 6.042 1.00 1.84 H new ATOM 0 HD22 ASN A 2 30.193 13.448 5.635 1.00 1.84 H new ATOM 34 N LYS A 3 32.282 9.311 7.477 1.00 0.77 N ATOM 35 CA LYS A 3 32.001 7.844 7.571 1.00 0.81 C ATOM 36 C LYS A 3 33.034 7.150 8.459 1.00 0.75 C ATOM 37 O LYS A 3 32.673 6.500 9.423 1.00 0.75 O ATOM 38 CB LYS A 3 32.055 7.231 6.171 1.00 1.01 C ATOM 39 CG LYS A 3 30.688 7.359 5.498 1.00 1.12 C ATOM 40 CD LYS A 3 30.822 7.013 4.013 1.00 1.29 C ATOM 41 CE LYS A 3 29.818 7.835 3.203 1.00 1.71 C ATOM 42 NZ LYS A 3 29.780 7.327 1.802 1.00 2.22 N ATOM 0 H LYS A 3 32.592 9.617 6.555 1.00 0.77 H new ATOM 0 HA LYS A 3 31.012 7.706 8.008 1.00 0.81 H new ATOM 0 HB2 LYS A 3 32.814 7.734 5.572 1.00 1.01 H new ATOM 0 HB3 LYS A 3 32.343 6.182 6.234 1.00 1.01 H new ATOM 0 HG2 LYS A 3 29.971 6.692 5.976 1.00 1.12 H new ATOM 0 HG3 LYS A 3 30.306 8.373 5.614 1.00 1.12 H new ATOM 0 HD2 LYS A 3 31.836 7.219 3.671 1.00 1.29 H new ATOM 0 HD3 LYS A 3 30.644 5.949 3.860 1.00 1.29 H new ATOM 0 HE2 LYS A 3 28.828 7.767 3.653 1.00 1.71 H new ATOM 0 HE3 LYS A 3 30.101 8.888 3.213 1.00 1.71 H new ATOM 0 HZ1 LYS A 3 29.098 7.884 1.249 1.00 2.22 H new ATOM 0 HZ2 LYS A 3 30.725 7.414 1.376 1.00 2.22 H new ATOM 0 HZ3 LYS A 3 29.491 6.328 1.803 1.00 2.22 H new ATOM 56 N THR A 4 34.293 7.244 8.094 1.00 0.78 N ATOM 57 CA THR A 4 35.390 6.554 8.845 1.00 0.80 C ATOM 58 C THR A 4 35.352 6.957 10.321 1.00 0.71 C ATOM 59 O THR A 4 35.470 6.114 11.195 1.00 0.74 O ATOM 60 CB THR A 4 36.743 6.949 8.250 1.00 0.91 C ATOM 61 OG1 THR A 4 36.731 6.717 6.849 1.00 1.38 O ATOM 62 CG2 THR A 4 37.850 6.113 8.897 1.00 1.46 C ATOM 0 H THR A 4 34.611 7.783 7.288 1.00 0.78 H new ATOM 0 HA THR A 4 35.250 5.476 8.764 1.00 0.80 H new ATOM 0 HB THR A 4 36.928 8.006 8.441 1.00 0.91 H new ATOM 0 HG1 THR A 4 37.597 6.972 6.468 1.00 1.38 H new ATOM 0 HG21 THR A 4 38.814 6.395 8.473 1.00 1.46 H new ATOM 0 HG22 THR A 4 37.860 6.292 9.972 1.00 1.46 H new ATOM 0 HG23 THR A 4 37.665 5.056 8.707 1.00 1.46 H new ATOM 70 N GLU A 5 35.148 8.230 10.577 1.00 0.67 N ATOM 71 CA GLU A 5 35.084 8.770 11.964 1.00 0.67 C ATOM 72 C GLU A 5 34.033 8.008 12.773 1.00 0.59 C ATOM 73 O GLU A 5 34.382 7.300 13.701 1.00 0.64 O ATOM 74 CB GLU A 5 34.712 10.252 11.877 1.00 0.73 C ATOM 75 CG GLU A 5 34.689 10.876 13.270 1.00 0.84 C ATOM 76 CD GLU A 5 36.074 11.436 13.602 1.00 1.21 C ATOM 77 OE1 GLU A 5 37.024 10.671 13.566 1.00 1.69 O ATOM 78 OE2 GLU A 5 36.162 12.620 13.884 1.00 1.89 O ATOM 0 H GLU A 5 35.020 8.936 9.852 1.00 0.67 H new ATOM 0 HA GLU A 5 36.047 8.653 12.462 1.00 0.67 H new ATOM 0 HB2 GLU A 5 35.430 10.778 11.248 1.00 0.73 H new ATOM 0 HB3 GLU A 5 33.735 10.362 11.406 1.00 0.73 H new ATOM 0 HG2 GLU A 5 33.944 11.671 13.312 1.00 0.84 H new ATOM 0 HG3 GLU A 5 34.400 10.129 14.010 1.00 0.84 H new ATOM 85 N LEU A 6 32.775 8.174 12.430 1.00 0.53 N ATOM 86 CA LEU A 6 31.677 7.512 13.197 1.00 0.49 C ATOM 87 C LEU A 6 31.829 5.990 13.127 1.00 0.51 C ATOM 88 O LEU A 6 32.084 5.379 14.145 1.00 0.56 O ATOM 89 CB LEU A 6 30.318 7.943 12.639 1.00 0.49 C ATOM 90 CG LEU A 6 29.893 9.267 13.284 1.00 0.58 C ATOM 91 CD1 LEU A 6 28.588 9.752 12.649 1.00 0.66 C ATOM 92 CD2 LEU A 6 29.680 9.069 14.788 1.00 0.70 C ATOM 0 H LEU A 6 32.463 8.745 11.644 1.00 0.53 H new ATOM 0 HA LEU A 6 31.737 7.817 14.242 1.00 0.49 H new ATOM 0 HB2 LEU A 6 30.378 8.057 11.557 1.00 0.49 H new ATOM 0 HB3 LEU A 6 29.572 7.174 12.838 1.00 0.49 H new ATOM 0 HG LEU A 6 30.676 10.008 13.124 1.00 0.58 H new ATOM 0 HD11 LEU A 6 28.287 10.693 13.109 1.00 0.66 H new ATOM 0 HD12 LEU A 6 28.737 9.902 11.580 1.00 0.66 H new ATOM 0 HD13 LEU A 6 27.808 9.007 12.805 1.00 0.66 H new ATOM 0 HD21 LEU A 6 29.378 10.014 15.240 1.00 0.70 H new ATOM 0 HD22 LEU A 6 28.901 8.324 14.950 1.00 0.70 H new ATOM 0 HD23 LEU A 6 30.609 8.728 15.245 1.00 0.70 H new ATOM 104 N ILE A 7 31.649 5.388 11.967 1.00 0.54 N ATOM 105 CA ILE A 7 31.666 3.892 11.804 1.00 0.63 C ATOM 106 C ILE A 7 32.727 3.216 12.706 1.00 0.69 C ATOM 107 O ILE A 7 32.364 2.542 13.657 1.00 0.77 O ATOM 108 CB ILE A 7 31.769 3.554 10.294 1.00 0.70 C ATOM 109 CG1 ILE A 7 30.845 2.387 9.934 1.00 0.78 C ATOM 110 CG2 ILE A 7 33.180 3.180 9.832 1.00 0.79 C ATOM 111 CD1 ILE A 7 30.721 2.288 8.411 1.00 0.95 C ATOM 0 H ILE A 7 31.485 5.893 11.096 1.00 0.54 H new ATOM 0 HA ILE A 7 30.730 3.463 12.161 1.00 0.63 H new ATOM 0 HB ILE A 7 31.476 4.472 9.785 1.00 0.70 H new ATOM 0 HG12 ILE A 7 31.242 1.456 10.339 1.00 0.78 H new ATOM 0 HG13 ILE A 7 29.862 2.536 10.381 1.00 0.78 H new ATOM 0 HG21 ILE A 7 33.167 2.958 8.765 1.00 0.79 H new ATOM 0 HG22 ILE A 7 33.857 4.013 10.021 1.00 0.79 H new ATOM 0 HG23 ILE A 7 33.522 2.303 10.381 1.00 0.79 H new ATOM 0 HD11 ILE A 7 30.064 1.458 8.153 1.00 0.95 H new ATOM 0 HD12 ILE A 7 30.305 3.216 8.019 1.00 0.95 H new ATOM 0 HD13 ILE A 7 31.706 2.120 7.976 1.00 0.95 H new ATOM 123 N LYS A 8 33.992 3.531 12.525 1.00 0.71 N ATOM 124 CA LYS A 8 35.076 2.941 13.378 1.00 0.80 C ATOM 125 C LYS A 8 34.970 3.439 14.826 1.00 0.74 C ATOM 126 O LYS A 8 34.786 2.654 15.745 1.00 0.81 O ATOM 127 CB LYS A 8 36.444 3.324 12.810 1.00 0.88 C ATOM 128 CG LYS A 8 37.497 2.337 13.320 1.00 1.06 C ATOM 129 CD LYS A 8 38.879 2.991 13.283 1.00 1.28 C ATOM 130 CE LYS A 8 39.956 1.903 13.307 1.00 1.65 C ATOM 131 NZ LYS A 8 40.198 1.471 14.713 1.00 2.33 N ATOM 0 H LYS A 8 34.322 4.181 11.812 1.00 0.71 H new ATOM 0 HA LYS A 8 34.961 1.857 13.374 1.00 0.80 H new ATOM 0 HB2 LYS A 8 36.415 3.312 11.720 1.00 0.88 H new ATOM 0 HB3 LYS A 8 36.704 4.339 13.110 1.00 0.88 H new ATOM 0 HG2 LYS A 8 37.257 2.029 14.338 1.00 1.06 H new ATOM 0 HG3 LYS A 8 37.494 1.437 12.705 1.00 1.06 H new ATOM 0 HD2 LYS A 8 38.982 3.600 12.385 1.00 1.28 H new ATOM 0 HD3 LYS A 8 39.001 3.658 14.136 1.00 1.28 H new ATOM 0 HE2 LYS A 8 39.641 1.052 12.703 1.00 1.65 H new ATOM 0 HE3 LYS A 8 40.879 2.281 12.868 1.00 1.65 H new ATOM 0 HZ1 LYS A 8 40.930 0.732 14.728 1.00 2.33 H new ATOM 0 HZ2 LYS A 8 40.516 2.285 15.276 1.00 2.33 H new ATOM 0 HZ3 LYS A 8 39.317 1.094 15.117 1.00 2.33 H new ATOM 145 N ALA A 9 35.173 4.723 15.023 1.00 0.68 N ATOM 146 CA ALA A 9 35.244 5.329 16.394 1.00 0.70 C ATOM 147 C ALA A 9 34.128 4.819 17.310 1.00 0.69 C ATOM 148 O ALA A 9 34.410 4.190 18.316 1.00 0.89 O ATOM 149 CB ALA A 9 35.147 6.852 16.286 1.00 0.72 C ATOM 0 H ALA A 9 35.296 5.396 14.266 1.00 0.68 H new ATOM 0 HA ALA A 9 36.198 5.035 16.832 1.00 0.70 H new ATOM 0 HB1 ALA A 9 35.199 7.291 17.282 1.00 0.72 H new ATOM 0 HB2 ALA A 9 35.972 7.227 15.681 1.00 0.72 H new ATOM 0 HB3 ALA A 9 34.201 7.124 15.818 1.00 0.72 H new ATOM 155 N ILE A 10 32.898 5.175 17.015 1.00 0.65 N ATOM 156 CA ILE A 10 31.751 4.811 17.895 1.00 0.64 C ATOM 157 C ILE A 10 31.514 3.293 17.876 1.00 0.67 C ATOM 158 O ILE A 10 31.011 2.769 18.857 1.00 0.73 O ATOM 159 CB ILE A 10 30.511 5.612 17.479 1.00 0.63 C ATOM 160 CG1 ILE A 10 29.339 5.269 18.400 1.00 0.68 C ATOM 161 CG2 ILE A 10 30.146 5.347 16.017 1.00 0.65 C ATOM 162 CD1 ILE A 10 29.553 5.980 19.733 1.00 0.74 C ATOM 0 H ILE A 10 32.642 5.712 16.186 1.00 0.65 H new ATOM 0 HA ILE A 10 31.980 5.073 18.928 1.00 0.64 H new ATOM 0 HB ILE A 10 30.738 6.674 17.574 1.00 0.63 H new ATOM 0 HG12 ILE A 10 28.397 5.583 17.949 1.00 0.68 H new ATOM 0 HG13 ILE A 10 29.277 4.191 18.550 1.00 0.68 H new ATOM 0 HG21 ILE A 10 29.263 5.929 15.751 1.00 0.65 H new ATOM 0 HG22 ILE A 10 30.978 5.637 15.376 1.00 0.65 H new ATOM 0 HG23 ILE A 10 29.936 4.286 15.881 1.00 0.65 H new ATOM 0 HD11 ILE A 10 28.727 5.748 20.406 1.00 0.74 H new ATOM 0 HD12 ILE A 10 30.489 5.644 20.179 1.00 0.74 H new ATOM 0 HD13 ILE A 10 29.596 7.057 19.568 1.00 0.74 H new ATOM 174 N ALA A 11 31.918 2.593 16.829 1.00 0.69 N ATOM 175 CA ALA A 11 31.780 1.093 16.813 1.00 0.76 C ATOM 176 C ALA A 11 32.628 0.452 17.909 1.00 0.82 C ATOM 177 O ALA A 11 32.326 -0.648 18.340 1.00 0.88 O ATOM 178 CB ALA A 11 32.151 0.497 15.459 1.00 0.81 C ATOM 0 H ALA A 11 32.335 2.996 15.990 1.00 0.69 H new ATOM 0 HA ALA A 11 30.729 0.874 17.001 1.00 0.76 H new ATOM 0 HB1 ALA A 11 32.036 -0.586 15.495 1.00 0.81 H new ATOM 0 HB2 ALA A 11 31.496 0.906 14.690 1.00 0.81 H new ATOM 0 HB3 ALA A 11 33.186 0.745 15.224 1.00 0.81 H new ATOM 184 N GLN A 12 33.669 1.124 18.346 1.00 0.86 N ATOM 185 CA GLN A 12 34.566 0.580 19.417 1.00 0.96 C ATOM 186 C GLN A 12 33.766 0.000 20.597 1.00 0.94 C ATOM 187 O GLN A 12 34.118 -1.055 21.098 1.00 0.98 O ATOM 188 CB GLN A 12 35.494 1.691 19.909 1.00 1.02 C ATOM 189 CG GLN A 12 36.510 2.015 18.810 1.00 1.10 C ATOM 190 CD GLN A 12 37.763 2.628 19.436 1.00 1.54 C ATOM 191 OE1 GLN A 12 38.868 2.256 19.098 1.00 2.24 O ATOM 192 NE2 GLN A 12 37.635 3.561 20.340 1.00 1.99 N ATOM 0 H GLN A 12 33.939 2.044 17.998 1.00 0.86 H new ATOM 0 HA GLN A 12 35.150 -0.235 18.989 1.00 0.96 H new ATOM 0 HB2 GLN A 12 34.916 2.580 20.161 1.00 1.02 H new ATOM 0 HB3 GLN A 12 36.009 1.377 20.817 1.00 1.02 H new ATOM 0 HG2 GLN A 12 36.770 1.109 18.263 1.00 1.10 H new ATOM 0 HG3 GLN A 12 36.074 2.708 18.090 1.00 1.10 H new ATOM 0 HE21 GLN A 12 36.706 3.873 20.623 1.00 1.99 H new ATOM 0 HE22 GLN A 12 38.464 3.978 20.763 1.00 1.99 H new ATOM 201 N ASP A 13 32.693 0.651 20.998 1.00 0.92 N ATOM 202 CA ASP A 13 31.819 0.127 22.100 1.00 0.93 C ATOM 203 C ASP A 13 30.481 -0.326 21.500 1.00 0.93 C ATOM 204 O ASP A 13 30.348 -1.478 21.120 1.00 1.13 O ATOM 205 CB ASP A 13 31.607 1.231 23.145 1.00 0.96 C ATOM 206 CG ASP A 13 32.210 0.817 24.490 1.00 1.03 C ATOM 207 OD1 ASP A 13 33.407 0.586 24.535 1.00 1.44 O ATOM 208 OD2 ASP A 13 31.464 0.748 25.453 1.00 1.59 O ATOM 0 H ASP A 13 32.383 1.538 20.600 1.00 0.92 H new ATOM 0 HA ASP A 13 32.290 -0.725 22.590 1.00 0.93 H new ATOM 0 HB2 ASP A 13 32.068 2.158 22.803 1.00 0.96 H new ATOM 0 HB3 ASP A 13 30.542 1.429 23.263 1.00 0.96 H new ATOM 213 N THR A 14 29.590 0.611 21.246 1.00 0.95 N ATOM 214 CA THR A 14 28.352 0.332 20.443 1.00 0.96 C ATOM 215 C THR A 14 28.786 0.154 18.985 1.00 0.95 C ATOM 216 O THR A 14 29.968 0.048 18.729 1.00 1.49 O ATOM 217 CB THR A 14 27.438 1.556 20.537 1.00 1.10 C ATOM 218 OG1 THR A 14 27.354 1.967 21.884 1.00 1.30 O ATOM 219 CG2 THR A 14 26.037 1.239 20.013 1.00 1.26 C ATOM 0 H THR A 14 29.672 1.575 21.569 1.00 0.95 H new ATOM 0 HA THR A 14 27.831 -0.554 20.806 1.00 0.96 H new ATOM 0 HB THR A 14 27.859 2.353 19.924 1.00 1.10 H new ATOM 0 HG1 THR A 14 27.786 2.840 21.987 1.00 1.30 H new ATOM 0 HG21 THR A 14 25.409 2.127 20.092 1.00 1.26 H new ATOM 0 HG22 THR A 14 26.100 0.931 18.969 1.00 1.26 H new ATOM 0 HG23 THR A 14 25.601 0.433 20.604 1.00 1.26 H new ATOM 227 N GLU A 15 27.861 0.066 18.045 1.00 0.93 N ATOM 228 CA GLU A 15 28.200 0.038 16.587 1.00 0.95 C ATOM 229 C GLU A 15 29.275 -1.019 16.286 1.00 1.15 C ATOM 230 O GLU A 15 29.892 -0.987 15.245 1.00 1.69 O ATOM 231 CB GLU A 15 28.556 1.433 16.058 1.00 1.26 C ATOM 232 CG GLU A 15 28.209 2.613 16.981 1.00 2.37 C ATOM 233 CD GLU A 15 26.809 3.143 16.657 1.00 3.27 C ATOM 234 OE1 GLU A 15 25.858 2.396 16.818 1.00 3.70 O ATOM 235 OE2 GLU A 15 26.715 4.283 16.231 1.00 3.96 O ATOM 0 H GLU A 15 26.861 0.011 18.241 1.00 0.93 H new ATOM 0 HA GLU A 15 27.308 -0.266 16.039 1.00 0.95 H new ATOM 0 HB2 GLU A 15 29.626 1.460 15.854 1.00 1.26 H new ATOM 0 HB3 GLU A 15 28.046 1.580 15.106 1.00 1.26 H new ATOM 0 HG2 GLU A 15 28.253 2.295 18.023 1.00 2.37 H new ATOM 0 HG3 GLU A 15 28.944 3.408 16.859 1.00 2.37 H new ATOM 242 N LEU A 16 29.371 -2.012 17.147 1.00 1.12 N ATOM 243 CA LEU A 16 30.255 -3.219 17.041 1.00 1.37 C ATOM 244 C LEU A 16 31.010 -3.347 15.712 1.00 1.65 C ATOM 245 O LEU A 16 32.229 -3.360 15.685 1.00 2.50 O ATOM 246 CB LEU A 16 29.370 -4.461 17.183 1.00 1.39 C ATOM 247 CG LEU A 16 28.974 -4.664 18.647 1.00 1.26 C ATOM 248 CD1 LEU A 16 27.887 -5.738 18.726 1.00 1.51 C ATOM 249 CD2 LEU A 16 30.194 -5.118 19.452 1.00 1.46 C ATOM 0 H LEU A 16 28.812 -2.026 18.000 1.00 1.12 H new ATOM 0 HA LEU A 16 31.007 -3.119 17.824 1.00 1.37 H new ATOM 0 HB2 LEU A 16 28.476 -4.352 16.569 1.00 1.39 H new ATOM 0 HB3 LEU A 16 29.902 -5.339 16.818 1.00 1.39 H new ATOM 0 HG LEU A 16 28.600 -3.726 19.058 1.00 1.26 H new ATOM 0 HD11 LEU A 16 27.599 -5.889 19.766 1.00 1.51 H new ATOM 0 HD12 LEU A 16 27.017 -5.419 18.152 1.00 1.51 H new ATOM 0 HD13 LEU A 16 28.269 -6.673 18.316 1.00 1.51 H new ATOM 0 HD21 LEU A 16 29.909 -5.262 20.494 1.00 1.46 H new ATOM 0 HD22 LEU A 16 30.569 -6.057 19.045 1.00 1.46 H new ATOM 0 HD23 LEU A 16 30.974 -4.359 19.390 1.00 1.46 H new ATOM 261 N THR A 17 30.264 -3.461 14.634 1.00 1.13 N ATOM 262 CA THR A 17 30.861 -3.623 13.272 1.00 1.33 C ATOM 263 C THR A 17 30.106 -2.739 12.268 1.00 1.03 C ATOM 264 O THR A 17 29.359 -1.847 12.644 1.00 0.98 O ATOM 265 CB THR A 17 30.803 -5.096 12.818 1.00 1.82 C ATOM 266 OG1 THR A 17 30.606 -5.972 13.922 1.00 2.54 O ATOM 267 CG2 THR A 17 32.117 -5.476 12.128 1.00 1.71 C ATOM 0 H THR A 17 29.244 -3.448 14.646 1.00 1.13 H new ATOM 0 HA THR A 17 31.906 -3.318 13.314 1.00 1.33 H new ATOM 0 HB THR A 17 29.963 -5.197 12.130 1.00 1.82 H new ATOM 0 HG1 THR A 17 30.572 -6.898 13.603 1.00 2.54 H new ATOM 0 HG21 THR A 17 32.072 -6.517 11.809 1.00 1.71 H new ATOM 0 HG22 THR A 17 32.270 -4.836 11.259 1.00 1.71 H new ATOM 0 HG23 THR A 17 32.945 -5.345 12.825 1.00 1.71 H new ATOM 275 N GLN A 18 30.374 -2.960 11.001 1.00 1.14 N ATOM 276 CA GLN A 18 29.800 -2.142 9.891 1.00 1.07 C ATOM 277 C GLN A 18 28.273 -2.095 9.952 1.00 1.05 C ATOM 278 O GLN A 18 27.703 -1.050 9.716 1.00 0.99 O ATOM 279 CB GLN A 18 30.221 -2.754 8.555 1.00 1.23 C ATOM 280 CG GLN A 18 30.225 -1.669 7.476 1.00 1.51 C ATOM 281 CD GLN A 18 29.946 -2.307 6.114 1.00 2.01 C ATOM 282 OE1 GLN A 18 28.890 -2.116 5.545 1.00 2.61 O ATOM 283 NE2 GLN A 18 30.858 -3.060 5.562 1.00 2.58 N ATOM 0 H GLN A 18 30.993 -3.706 10.683 1.00 1.14 H new ATOM 0 HA GLN A 18 30.176 -1.124 9.992 1.00 1.07 H new ATOM 0 HB2 GLN A 18 31.212 -3.198 8.643 1.00 1.23 H new ATOM 0 HB3 GLN A 18 29.536 -3.555 8.278 1.00 1.23 H new ATOM 0 HG2 GLN A 18 29.469 -0.916 7.699 1.00 1.51 H new ATOM 0 HG3 GLN A 18 31.188 -1.159 7.461 1.00 1.51 H new ATOM 0 HE21 GLN A 18 31.745 -3.220 6.040 1.00 2.58 H new ATOM 0 HE22 GLN A 18 30.684 -3.488 4.653 1.00 2.58 H new ATOM 292 N VAL A 19 27.622 -3.215 10.181 1.00 1.20 N ATOM 293 CA VAL A 19 26.122 -3.268 10.195 1.00 1.31 C ATOM 294 C VAL A 19 25.584 -2.275 11.234 1.00 1.15 C ATOM 295 O VAL A 19 24.830 -1.374 10.914 1.00 1.11 O ATOM 296 CB VAL A 19 25.667 -4.688 10.549 1.00 1.57 C ATOM 297 CG1 VAL A 19 24.140 -4.776 10.495 1.00 1.89 C ATOM 298 CG2 VAL A 19 26.262 -5.680 9.547 1.00 1.78 C ATOM 0 H VAL A 19 28.076 -4.110 10.362 1.00 1.20 H new ATOM 0 HA VAL A 19 25.737 -3.001 9.211 1.00 1.31 H new ATOM 0 HB VAL A 19 26.008 -4.929 11.556 1.00 1.57 H new ATOM 0 HG11 VAL A 19 23.825 -5.788 10.748 1.00 1.89 H new ATOM 0 HG12 VAL A 19 23.710 -4.073 11.208 1.00 1.89 H new ATOM 0 HG13 VAL A 19 23.797 -4.529 9.490 1.00 1.89 H new ATOM 0 HG21 VAL A 19 25.938 -6.690 9.799 1.00 1.78 H new ATOM 0 HG22 VAL A 19 25.922 -5.430 8.542 1.00 1.78 H new ATOM 0 HG23 VAL A 19 27.350 -5.628 9.585 1.00 1.78 H new ATOM 308 N SER A 20 25.984 -2.468 12.465 1.00 1.12 N ATOM 309 CA SER A 20 25.557 -1.606 13.612 1.00 1.00 C ATOM 310 C SER A 20 25.743 -0.108 13.303 1.00 0.89 C ATOM 311 O SER A 20 24.752 0.591 13.150 1.00 0.88 O ATOM 312 CB SER A 20 26.363 -2.049 14.830 1.00 1.01 C ATOM 313 OG SER A 20 26.314 -3.464 14.944 1.00 1.41 O ATOM 0 H SER A 20 26.617 -3.221 12.733 1.00 1.12 H new ATOM 0 HA SER A 20 24.491 -1.727 13.805 1.00 1.00 H new ATOM 0 HB2 SER A 20 27.397 -1.717 14.735 1.00 1.01 H new ATOM 0 HB3 SER A 20 25.962 -1.587 15.732 1.00 1.01 H new ATOM 0 HG SER A 20 26.384 -3.719 15.888 1.00 1.41 H new ATOM 319 N VAL A 21 26.965 0.393 13.216 1.00 0.86 N ATOM 320 CA VAL A 21 27.183 1.875 12.997 1.00 0.83 C ATOM 321 C VAL A 21 26.454 2.324 11.741 1.00 0.80 C ATOM 322 O VAL A 21 25.928 3.419 11.696 1.00 0.78 O ATOM 323 CB VAL A 21 28.661 2.316 12.860 1.00 0.95 C ATOM 324 CG1 VAL A 21 28.996 3.406 13.891 1.00 1.10 C ATOM 325 CG2 VAL A 21 29.657 1.156 12.955 1.00 1.03 C ATOM 0 H VAL A 21 27.820 -0.159 13.287 1.00 0.86 H new ATOM 0 HA VAL A 21 26.794 2.343 13.901 1.00 0.83 H new ATOM 0 HB VAL A 21 28.767 2.724 11.855 1.00 0.95 H new ATOM 0 HG11 VAL A 21 30.039 3.704 13.780 1.00 1.10 H new ATOM 0 HG12 VAL A 21 28.352 4.271 13.729 1.00 1.10 H new ATOM 0 HG13 VAL A 21 28.835 3.018 14.897 1.00 1.10 H new ATOM 0 HG21 VAL A 21 30.672 1.539 12.851 1.00 1.03 H new ATOM 0 HG22 VAL A 21 29.552 0.665 13.922 1.00 1.03 H new ATOM 0 HG23 VAL A 21 29.456 0.438 12.160 1.00 1.03 H new ATOM 335 N SER A 22 26.627 1.566 10.690 1.00 0.86 N ATOM 336 CA SER A 22 26.070 1.941 9.346 1.00 0.89 C ATOM 337 C SER A 22 24.584 2.315 9.487 1.00 0.89 C ATOM 338 O SER A 22 24.161 3.341 8.982 1.00 0.88 O ATOM 339 CB SER A 22 26.210 0.776 8.365 1.00 0.99 C ATOM 340 OG SER A 22 25.626 1.129 7.119 1.00 1.31 O ATOM 0 H SER A 22 27.140 0.685 10.702 1.00 0.86 H new ATOM 0 HA SER A 22 26.629 2.795 8.963 1.00 0.89 H new ATOM 0 HB2 SER A 22 27.262 0.528 8.227 1.00 0.99 H new ATOM 0 HB3 SER A 22 25.723 -0.112 8.768 1.00 0.99 H new ATOM 0 HG SER A 22 25.718 0.382 6.491 1.00 1.31 H new ATOM 346 N LYS A 23 23.854 1.559 10.287 1.00 0.93 N ATOM 347 CA LYS A 23 22.445 1.907 10.640 1.00 0.95 C ATOM 348 C LYS A 23 22.437 3.277 11.324 1.00 0.86 C ATOM 349 O LYS A 23 21.547 4.072 11.103 1.00 0.88 O ATOM 350 CB LYS A 23 21.914 0.875 11.629 1.00 1.00 C ATOM 351 CG LYS A 23 21.254 -0.286 10.893 1.00 1.13 C ATOM 352 CD LYS A 23 20.829 -1.297 11.951 1.00 1.19 C ATOM 353 CE LYS A 23 20.525 -2.646 11.296 1.00 1.37 C ATOM 354 NZ LYS A 23 19.068 -2.739 11.000 1.00 1.64 N ATOM 0 H LYS A 23 24.192 0.697 10.715 1.00 0.93 H new ATOM 0 HA LYS A 23 21.828 1.923 9.742 1.00 0.95 H new ATOM 0 HB2 LYS A 23 22.731 0.503 12.248 1.00 1.00 H new ATOM 0 HB3 LYS A 23 21.194 1.344 12.300 1.00 1.00 H new ATOM 0 HG2 LYS A 23 20.393 0.059 10.321 1.00 1.13 H new ATOM 0 HG3 LYS A 23 21.948 -0.738 10.184 1.00 1.13 H new ATOM 0 HD2 LYS A 23 21.620 -1.414 12.692 1.00 1.19 H new ATOM 0 HD3 LYS A 23 19.948 -0.934 12.479 1.00 1.19 H new ATOM 0 HE2 LYS A 23 21.101 -2.754 10.377 1.00 1.37 H new ATOM 0 HE3 LYS A 23 20.825 -3.459 11.957 1.00 1.37 H new ATOM 0 HZ1 LYS A 23 18.862 -3.656 10.555 1.00 1.64 H new ATOM 0 HZ2 LYS A 23 18.528 -2.655 11.885 1.00 1.64 H new ATOM 0 HZ3 LYS A 23 18.795 -1.971 10.353 1.00 1.64 H new ATOM 368 N MET A 24 23.370 3.476 12.230 1.00 0.80 N ATOM 369 CA MET A 24 23.432 4.723 13.059 1.00 0.73 C ATOM 370 C MET A 24 23.729 5.965 12.208 1.00 0.71 C ATOM 371 O MET A 24 23.400 7.067 12.614 1.00 0.70 O ATOM 372 CB MET A 24 24.526 4.570 14.123 1.00 0.73 C ATOM 373 CG MET A 24 24.473 5.752 15.096 1.00 0.72 C ATOM 374 SD MET A 24 25.597 7.059 14.547 1.00 1.31 S ATOM 375 CE MET A 24 24.644 8.455 15.196 1.00 1.33 C ATOM 0 H MET A 24 24.111 2.805 12.433 1.00 0.80 H new ATOM 0 HA MET A 24 22.457 4.861 13.526 1.00 0.73 H new ATOM 0 HB2 MET A 24 24.390 3.634 14.665 1.00 0.73 H new ATOM 0 HB3 MET A 24 25.505 4.523 13.647 1.00 0.73 H new ATOM 0 HG2 MET A 24 23.455 6.138 15.156 1.00 0.72 H new ATOM 0 HG3 MET A 24 24.748 5.421 16.097 1.00 0.72 H new ATOM 0 HE1 MET A 24 24.825 9.337 14.581 1.00 1.33 H new ATOM 0 HE2 MET A 24 23.582 8.211 15.176 1.00 1.33 H new ATOM 0 HE3 MET A 24 24.950 8.659 16.222 1.00 1.33 H new ATOM 385 N LEU A 25 24.349 5.794 11.061 1.00 0.72 N ATOM 386 CA LEU A 25 24.708 6.946 10.174 1.00 0.74 C ATOM 387 C LEU A 25 23.485 7.324 9.340 1.00 0.75 C ATOM 388 O LEU A 25 22.918 8.398 9.492 1.00 0.73 O ATOM 389 CB LEU A 25 25.852 6.532 9.246 1.00 0.80 C ATOM 390 CG LEU A 25 26.293 7.730 8.401 1.00 0.88 C ATOM 391 CD1 LEU A 25 27.470 8.431 9.081 1.00 1.29 C ATOM 392 CD2 LEU A 25 26.720 7.243 7.015 1.00 1.23 C ATOM 0 H LEU A 25 24.626 4.883 10.697 1.00 0.72 H new ATOM 0 HA LEU A 25 25.023 7.798 10.776 1.00 0.74 H new ATOM 0 HB2 LEU A 25 26.692 6.160 9.833 1.00 0.80 H new ATOM 0 HB3 LEU A 25 25.530 5.717 8.598 1.00 0.80 H new ATOM 0 HG LEU A 25 25.464 8.430 8.302 1.00 0.88 H new ATOM 0 HD11 LEU A 25 27.783 9.284 8.478 1.00 1.29 H new ATOM 0 HD12 LEU A 25 27.166 8.777 10.069 1.00 1.29 H new ATOM 0 HD13 LEU A 25 28.301 7.733 9.181 1.00 1.29 H new ATOM 0 HD21 LEU A 25 27.035 8.094 6.411 1.00 1.23 H new ATOM 0 HD22 LEU A 25 27.549 6.543 7.115 1.00 1.23 H new ATOM 0 HD23 LEU A 25 25.881 6.744 6.530 1.00 1.23 H new ATOM 404 N ALA A 26 23.043 6.388 8.533 1.00 0.79 N ATOM 405 CA ALA A 26 21.804 6.566 7.718 1.00 0.83 C ATOM 406 C ALA A 26 20.625 6.923 8.634 1.00 0.80 C ATOM 407 O ALA A 26 19.656 7.505 8.178 1.00 0.82 O ATOM 408 CB ALA A 26 21.497 5.263 6.975 1.00 0.93 C ATOM 0 H ALA A 26 23.503 5.487 8.404 1.00 0.79 H new ATOM 0 HA ALA A 26 21.956 7.372 7.000 1.00 0.83 H new ATOM 0 HB1 ALA A 26 20.593 5.388 6.379 1.00 0.93 H new ATOM 0 HB2 ALA A 26 22.332 5.012 6.320 1.00 0.93 H new ATOM 0 HB3 ALA A 26 21.347 4.460 7.696 1.00 0.93 H new ATOM 414 N SER A 27 20.717 6.575 9.904 1.00 0.78 N ATOM 415 CA SER A 27 19.626 6.858 10.882 1.00 0.77 C ATOM 416 C SER A 27 19.790 8.259 11.474 1.00 0.72 C ATOM 417 O SER A 27 18.784 8.888 11.744 1.00 0.74 O ATOM 418 CB SER A 27 19.638 5.818 12.002 1.00 0.83 C ATOM 419 OG SER A 27 18.571 6.083 12.901 1.00 0.99 O ATOM 0 H SER A 27 21.524 6.096 10.304 1.00 0.78 H new ATOM 0 HA SER A 27 18.672 6.806 10.358 1.00 0.77 H new ATOM 0 HB2 SER A 27 19.537 4.816 11.585 1.00 0.83 H new ATOM 0 HB3 SER A 27 20.590 5.848 12.531 1.00 0.83 H new ATOM 0 HG SER A 27 17.734 5.736 12.527 1.00 0.99 H new ATOM 425 N PHE A 28 21.007 8.748 11.649 1.00 0.69 N ATOM 426 CA PHE A 28 21.196 10.153 12.145 1.00 0.66 C ATOM 427 C PHE A 28 20.629 11.120 11.107 1.00 0.67 C ATOM 428 O PHE A 28 20.137 12.177 11.467 1.00 0.67 O ATOM 429 CB PHE A 28 22.648 10.521 12.436 1.00 0.66 C ATOM 430 CG PHE A 28 22.628 11.755 13.313 1.00 0.68 C ATOM 431 CD1 PHE A 28 22.412 13.021 12.748 1.00 0.71 C ATOM 432 CD2 PHE A 28 22.766 11.634 14.703 1.00 0.75 C ATOM 433 CE1 PHE A 28 22.350 14.152 13.569 1.00 0.79 C ATOM 434 CE2 PHE A 28 22.708 12.767 15.521 1.00 0.84 C ATOM 435 CZ PHE A 28 22.495 14.026 14.953 1.00 0.85 C ATOM 0 H PHE A 28 21.870 8.234 11.469 1.00 0.69 H new ATOM 0 HA PHE A 28 20.668 10.224 13.096 1.00 0.66 H new ATOM 0 HB2 PHE A 28 23.160 9.700 12.938 1.00 0.66 H new ATOM 0 HB3 PHE A 28 23.189 10.715 11.510 1.00 0.66 H new ATOM 0 HD1 PHE A 28 22.294 13.122 11.679 1.00 0.71 H new ATOM 0 HD2 PHE A 28 22.918 10.660 15.145 1.00 0.75 H new ATOM 0 HE1 PHE A 28 22.189 15.126 13.131 1.00 0.79 H new ATOM 0 HE2 PHE A 28 22.828 12.669 16.590 1.00 0.84 H new ATOM 0 HZ PHE A 28 22.442 14.901 15.584 1.00 0.85 H new ATOM 445 N GLU A 29 20.561 10.708 9.856 1.00 0.69 N ATOM 446 CA GLU A 29 19.796 11.499 8.839 1.00 0.73 C ATOM 447 C GLU A 29 18.330 11.505 9.296 1.00 0.74 C ATOM 448 O GLU A 29 17.710 12.548 9.419 1.00 0.77 O ATOM 449 CB GLU A 29 19.912 10.836 7.464 1.00 0.82 C ATOM 450 CG GLU A 29 20.992 11.545 6.646 1.00 1.06 C ATOM 451 CD GLU A 29 22.370 11.194 7.210 1.00 1.47 C ATOM 452 OE1 GLU A 29 22.933 10.204 6.771 1.00 2.10 O ATOM 453 OE2 GLU A 29 22.838 11.920 8.071 1.00 1.95 O ATOM 0 H GLU A 29 21.002 9.860 9.500 1.00 0.69 H new ATOM 0 HA GLU A 29 20.186 12.513 8.756 1.00 0.73 H new ATOM 0 HB2 GLU A 29 20.160 9.781 7.577 1.00 0.82 H new ATOM 0 HB3 GLU A 29 18.956 10.884 6.943 1.00 0.82 H new ATOM 0 HG2 GLU A 29 20.928 11.244 5.600 1.00 1.06 H new ATOM 0 HG3 GLU A 29 20.838 12.624 6.678 1.00 1.06 H new ATOM 460 N LYS A 30 17.858 10.340 9.679 1.00 0.76 N ATOM 461 CA LYS A 30 16.468 10.161 10.199 1.00 0.80 C ATOM 462 C LYS A 30 16.332 10.586 11.668 1.00 0.81 C ATOM 463 O LYS A 30 15.227 10.552 12.183 1.00 0.91 O ATOM 464 CB LYS A 30 16.082 8.683 10.096 1.00 0.85 C ATOM 465 CG LYS A 30 16.305 8.181 8.668 1.00 1.43 C ATOM 466 CD LYS A 30 16.249 6.652 8.654 1.00 1.51 C ATOM 467 CE LYS A 30 16.228 6.155 7.207 1.00 2.25 C ATOM 468 NZ LYS A 30 16.544 4.699 7.175 1.00 2.59 N ATOM 0 H LYS A 30 18.402 9.478 9.650 1.00 0.76 H new ATOM 0 HA LYS A 30 15.814 10.792 9.598 1.00 0.80 H new ATOM 0 HB2 LYS A 30 16.677 8.094 10.794 1.00 0.85 H new ATOM 0 HB3 LYS A 30 15.037 8.551 10.377 1.00 0.85 H new ATOM 0 HG2 LYS A 30 15.544 8.590 8.004 1.00 1.43 H new ATOM 0 HG3 LYS A 30 17.270 8.524 8.296 1.00 1.43 H new ATOM 0 HD2 LYS A 30 17.112 6.241 9.178 1.00 1.51 H new ATOM 0 HD3 LYS A 30 15.361 6.305 9.182 1.00 1.51 H new ATOM 0 HE2 LYS A 30 15.248 6.335 6.764 1.00 2.25 H new ATOM 0 HE3 LYS A 30 16.954 6.708 6.611 1.00 2.25 H new ATOM 0 HZ1 LYS A 30 16.529 4.362 6.191 1.00 2.59 H new ATOM 0 HZ2 LYS A 30 17.488 4.540 7.582 1.00 2.59 H new ATOM 0 HZ3 LYS A 30 15.835 4.178 7.730 1.00 2.59 H new ATOM 482 N ILE A 31 17.406 10.983 12.328 1.00 0.75 N ATOM 483 CA ILE A 31 17.307 11.422 13.756 1.00 0.79 C ATOM 484 C ILE A 31 16.926 12.894 13.755 1.00 0.81 C ATOM 485 O ILE A 31 16.075 13.307 14.527 1.00 0.87 O ATOM 486 CB ILE A 31 18.598 11.150 14.569 1.00 0.77 C ATOM 487 CG1 ILE A 31 18.199 10.914 16.028 1.00 0.84 C ATOM 488 CG2 ILE A 31 19.656 12.280 14.546 1.00 0.75 C ATOM 489 CD1 ILE A 31 19.209 9.971 16.685 1.00 0.93 C ATOM 0 H ILE A 31 18.345 11.019 11.932 1.00 0.75 H new ATOM 0 HA ILE A 31 16.542 10.833 14.263 1.00 0.79 H new ATOM 0 HB ILE A 31 19.068 10.289 14.095 1.00 0.77 H new ATOM 0 HG12 ILE A 31 18.167 11.862 16.566 1.00 0.84 H new ATOM 0 HG13 ILE A 31 17.198 10.485 16.078 1.00 0.84 H new ATOM 0 HG21 ILE A 31 20.517 11.985 15.146 1.00 0.75 H new ATOM 0 HG22 ILE A 31 19.974 12.460 13.519 1.00 0.75 H new ATOM 0 HG23 ILE A 31 19.223 13.192 14.957 1.00 0.75 H new ATOM 0 HD11 ILE A 31 18.926 9.802 17.724 1.00 0.93 H new ATOM 0 HD12 ILE A 31 19.219 9.020 16.152 1.00 0.93 H new ATOM 0 HD13 ILE A 31 20.202 10.418 16.647 1.00 0.93 H new ATOM 501 N THR A 32 17.624 13.662 12.947 1.00 0.79 N ATOM 502 CA THR A 32 17.392 15.126 12.949 1.00 0.82 C ATOM 503 C THR A 32 16.173 15.483 12.102 1.00 0.84 C ATOM 504 O THR A 32 15.308 16.160 12.598 1.00 0.92 O ATOM 505 CB THR A 32 18.554 15.950 12.430 1.00 0.82 C ATOM 506 OG1 THR A 32 18.886 15.555 11.107 1.00 0.77 O ATOM 507 CG2 THR A 32 19.765 15.803 13.351 1.00 0.87 C ATOM 0 H THR A 32 18.336 13.332 12.295 1.00 0.79 H new ATOM 0 HA THR A 32 17.246 15.372 14.001 1.00 0.82 H new ATOM 0 HB THR A 32 18.257 16.999 12.415 1.00 0.82 H new ATOM 0 HG1 THR A 32 19.799 15.844 10.899 1.00 0.77 H new ATOM 0 HG21 THR A 32 20.591 16.401 12.965 1.00 0.87 H new ATOM 0 HG22 THR A 32 19.505 16.148 14.352 1.00 0.87 H new ATOM 0 HG23 THR A 32 20.064 14.756 13.394 1.00 0.87 H new ATOM 515 N THR A 33 16.141 15.104 10.834 1.00 0.79 N ATOM 516 CA THR A 33 15.061 15.502 9.864 1.00 0.82 C ATOM 517 C THR A 33 13.714 15.809 10.535 1.00 0.90 C ATOM 518 O THR A 33 13.210 16.916 10.435 1.00 0.96 O ATOM 519 CB THR A 33 14.883 14.339 8.893 1.00 0.79 C ATOM 520 OG1 THR A 33 16.129 14.044 8.283 1.00 0.79 O ATOM 521 CG2 THR A 33 13.879 14.702 7.802 1.00 0.86 C ATOM 0 H THR A 33 16.856 14.507 10.419 1.00 0.79 H new ATOM 0 HA THR A 33 15.369 16.423 9.369 1.00 0.82 H new ATOM 0 HB THR A 33 14.515 13.475 9.447 1.00 0.79 H new ATOM 0 HG1 THR A 33 16.557 13.300 8.756 1.00 0.79 H new ATOM 0 HG21 THR A 33 13.765 13.861 7.118 1.00 0.86 H new ATOM 0 HG22 THR A 33 12.916 14.934 8.256 1.00 0.86 H new ATOM 0 HG23 THR A 33 14.239 15.571 7.251 1.00 0.86 H new ATOM 529 N GLU A 34 13.245 14.878 11.336 1.00 0.93 N ATOM 530 CA GLU A 34 12.022 15.077 12.162 1.00 1.02 C ATOM 531 C GLU A 34 12.183 16.337 13.013 1.00 1.01 C ATOM 532 O GLU A 34 11.477 17.316 12.806 1.00 1.07 O ATOM 533 CB GLU A 34 11.867 13.859 13.072 1.00 1.08 C ATOM 534 CG GLU A 34 10.384 13.575 13.285 1.00 1.66 C ATOM 535 CD GLU A 34 9.889 12.595 12.220 1.00 1.72 C ATOM 536 OE1 GLU A 34 9.897 12.963 11.057 1.00 2.16 O ATOM 537 OE2 GLU A 34 9.508 11.496 12.586 1.00 2.06 O ATOM 0 H GLU A 34 13.679 13.962 11.450 1.00 0.93 H new ATOM 0 HA GLU A 34 11.144 15.190 11.526 1.00 1.02 H new ATOM 0 HB2 GLU A 34 12.355 12.992 12.625 1.00 1.08 H new ATOM 0 HB3 GLU A 34 12.355 14.041 14.029 1.00 1.08 H new ATOM 0 HG2 GLU A 34 10.223 13.159 14.279 1.00 1.66 H new ATOM 0 HG3 GLU A 34 9.815 14.503 13.232 1.00 1.66 H new ATOM 544 N THR A 35 13.144 16.316 13.913 1.00 0.94 N ATOM 545 CA THR A 35 13.413 17.487 14.775 1.00 0.95 C ATOM 546 C THR A 35 13.763 18.719 13.949 1.00 0.92 C ATOM 547 O THR A 35 12.895 19.534 13.783 1.00 1.00 O ATOM 548 CB THR A 35 14.453 17.184 15.849 1.00 0.92 C ATOM 549 OG1 THR A 35 15.756 17.060 15.302 1.00 0.93 O ATOM 550 CG2 THR A 35 14.072 15.892 16.570 1.00 1.11 C ATOM 0 H THR A 35 13.756 15.517 14.079 1.00 0.94 H new ATOM 0 HA THR A 35 12.490 17.717 15.307 1.00 0.95 H new ATOM 0 HB THR A 35 14.467 18.018 16.551 1.00 0.92 H new ATOM 0 HG1 THR A 35 15.703 16.619 14.428 1.00 0.93 H new ATOM 0 HG21 THR A 35 14.813 15.672 17.338 1.00 1.11 H new ATOM 0 HG22 THR A 35 13.092 16.009 17.033 1.00 1.11 H new ATOM 0 HG23 THR A 35 14.038 15.072 15.853 1.00 1.11 H new ATOM 558 N VAL A 36 14.946 18.848 13.390 1.00 0.83 N ATOM 559 CA VAL A 36 15.396 20.118 12.724 1.00 0.86 C ATOM 560 C VAL A 36 14.268 20.803 11.942 1.00 0.96 C ATOM 561 O VAL A 36 13.816 21.856 12.361 1.00 1.06 O ATOM 562 CB VAL A 36 16.644 19.854 11.875 1.00 0.83 C ATOM 563 CG1 VAL A 36 17.137 21.145 11.225 1.00 1.47 C ATOM 564 CG2 VAL A 36 17.769 19.373 12.792 1.00 1.47 C ATOM 0 H VAL A 36 15.640 18.101 13.367 1.00 0.83 H new ATOM 0 HA VAL A 36 15.672 20.832 13.500 1.00 0.86 H new ATOM 0 HB VAL A 36 16.388 19.118 11.113 1.00 0.83 H new ATOM 0 HG11 VAL A 36 18.024 20.936 10.627 1.00 1.47 H new ATOM 0 HG12 VAL A 36 16.355 21.552 10.584 1.00 1.47 H new ATOM 0 HG13 VAL A 36 17.385 21.871 12.000 1.00 1.47 H new ATOM 0 HG21 VAL A 36 18.664 19.181 12.200 1.00 1.47 H new ATOM 0 HG22 VAL A 36 17.984 20.139 13.537 1.00 1.47 H new ATOM 0 HG23 VAL A 36 17.462 18.455 13.294 1.00 1.47 H new ATOM 574 N ALA A 37 13.643 20.078 11.046 1.00 0.98 N ATOM 575 CA ALA A 37 12.443 20.582 10.308 1.00 1.11 C ATOM 576 C ALA A 37 11.409 21.244 11.230 1.00 1.19 C ATOM 577 O ALA A 37 11.224 22.448 11.177 1.00 1.28 O ATOM 578 CB ALA A 37 11.819 19.400 9.558 1.00 1.15 C ATOM 0 H ALA A 37 13.923 19.132 10.789 1.00 0.98 H new ATOM 0 HA ALA A 37 12.763 21.359 9.614 1.00 1.11 H new ATOM 0 HB1 ALA A 37 10.940 19.740 9.010 1.00 1.15 H new ATOM 0 HB2 ALA A 37 12.546 18.988 8.858 1.00 1.15 H new ATOM 0 HB3 ALA A 37 11.526 18.630 10.272 1.00 1.15 H new ATOM 584 N LYS A 38 10.693 20.450 11.984 1.00 1.19 N ATOM 585 CA LYS A 38 9.569 20.956 12.844 1.00 1.31 C ATOM 586 C LYS A 38 10.013 21.124 14.303 1.00 1.29 C ATOM 587 O LYS A 38 9.644 22.076 14.966 1.00 1.36 O ATOM 588 CB LYS A 38 8.419 19.949 12.798 1.00 1.39 C ATOM 589 CG LYS A 38 7.182 20.559 13.455 1.00 1.61 C ATOM 590 CD LYS A 38 5.964 19.695 13.128 1.00 1.73 C ATOM 591 CE LYS A 38 4.850 19.984 14.135 1.00 1.82 C ATOM 592 NZ LYS A 38 5.128 19.258 15.406 1.00 2.28 N ATOM 0 H LYS A 38 10.842 19.443 12.044 1.00 1.19 H new ATOM 0 HA LYS A 38 9.256 21.928 12.462 1.00 1.31 H new ATOM 0 HB2 LYS A 38 8.199 19.678 11.765 1.00 1.39 H new ATOM 0 HB3 LYS A 38 8.703 19.032 13.314 1.00 1.39 H new ATOM 0 HG2 LYS A 38 7.321 20.620 14.534 1.00 1.61 H new ATOM 0 HG3 LYS A 38 7.029 21.577 13.096 1.00 1.61 H new ATOM 0 HD2 LYS A 38 5.617 19.904 12.116 1.00 1.73 H new ATOM 0 HD3 LYS A 38 6.234 18.639 13.161 1.00 1.73 H new ATOM 0 HE2 LYS A 38 4.784 21.056 14.323 1.00 1.82 H new ATOM 0 HE3 LYS A 38 3.888 19.672 13.729 1.00 1.82 H new ATOM 0 HZ1 LYS A 38 4.284 19.285 16.013 1.00 2.28 H new ATOM 0 HZ2 LYS A 38 5.371 18.269 15.195 1.00 2.28 H new ATOM 0 HZ3 LYS A 38 5.924 19.712 15.898 1.00 2.28 H new ATOM 606 N GLY A 39 10.666 20.120 14.825 1.00 1.20 N ATOM 607 CA GLY A 39 11.059 20.071 16.266 1.00 1.20 C ATOM 608 C GLY A 39 12.455 20.657 16.521 1.00 1.06 C ATOM 609 O GLY A 39 12.997 20.381 17.574 1.00 1.02 O ATOM 0 H GLY A 39 10.954 19.300 14.291 1.00 1.20 H new ATOM 0 HA2 GLY A 39 10.326 20.620 16.857 1.00 1.20 H new ATOM 0 HA3 GLY A 39 11.036 19.037 16.610 1.00 1.20 H new ATOM 613 N ASP A 40 13.079 21.322 15.556 1.00 1.02 N ATOM 614 CA ASP A 40 14.490 21.832 15.666 1.00 0.96 C ATOM 615 C ASP A 40 14.942 22.128 17.097 1.00 0.93 C ATOM 616 O ASP A 40 15.860 21.505 17.596 1.00 0.85 O ATOM 617 CB ASP A 40 14.549 23.115 14.848 1.00 1.16 C ATOM 618 CG ASP A 40 15.864 23.189 14.074 1.00 1.51 C ATOM 619 OD1 ASP A 40 16.903 23.002 14.685 1.00 1.77 O ATOM 620 OD2 ASP A 40 15.800 23.389 12.874 1.00 2.12 O ATOM 0 H ASP A 40 12.640 21.537 14.661 1.00 1.02 H new ATOM 0 HA ASP A 40 15.163 21.055 15.303 1.00 0.96 H new ATOM 0 HB2 ASP A 40 13.708 23.152 14.155 1.00 1.16 H new ATOM 0 HB3 ASP A 40 14.457 23.979 15.506 1.00 1.16 H new ATOM 625 N LYS A 41 14.183 22.950 17.777 1.00 1.06 N ATOM 626 CA LYS A 41 14.343 23.171 19.255 1.00 1.07 C ATOM 627 C LYS A 41 14.567 21.833 19.981 1.00 1.03 C ATOM 628 O LYS A 41 13.657 21.022 20.022 1.00 1.09 O ATOM 629 CB LYS A 41 13.050 23.793 19.803 1.00 1.21 C ATOM 630 CG LYS A 41 11.826 22.985 19.338 1.00 1.30 C ATOM 631 CD LYS A 41 11.252 22.158 20.491 1.00 1.35 C ATOM 632 CE LYS A 41 10.053 22.875 21.121 1.00 1.56 C ATOM 633 NZ LYS A 41 8.915 21.920 21.235 1.00 2.05 N ATOM 0 H LYS A 41 13.432 23.498 17.357 1.00 1.06 H new ATOM 0 HA LYS A 41 15.200 23.824 19.420 1.00 1.07 H new ATOM 0 HB2 LYS A 41 13.084 23.818 20.892 1.00 1.21 H new ATOM 0 HB3 LYS A 41 12.963 24.825 19.463 1.00 1.21 H new ATOM 0 HG2 LYS A 41 11.062 23.661 18.954 1.00 1.30 H new ATOM 0 HG3 LYS A 41 12.110 22.326 18.518 1.00 1.30 H new ATOM 0 HD2 LYS A 41 10.946 21.178 20.126 1.00 1.35 H new ATOM 0 HD3 LYS A 41 12.021 21.992 21.245 1.00 1.35 H new ATOM 0 HE2 LYS A 41 10.320 23.260 22.105 1.00 1.56 H new ATOM 0 HE3 LYS A 41 9.765 23.731 20.511 1.00 1.56 H new ATOM 0 HZ1 LYS A 41 8.099 22.402 21.662 1.00 2.05 H new ATOM 0 HZ2 LYS A 41 8.656 21.574 20.289 1.00 2.05 H new ATOM 0 HZ3 LYS A 41 9.195 21.117 21.833 1.00 2.05 H new ATOM 647 N VAL A 42 15.779 21.546 20.417 1.00 0.95 N ATOM 648 CA VAL A 42 16.054 20.210 21.042 1.00 0.94 C ATOM 649 C VAL A 42 17.382 20.186 21.804 1.00 0.89 C ATOM 650 O VAL A 42 18.246 21.014 21.587 1.00 0.87 O ATOM 651 CB VAL A 42 16.052 19.150 19.926 1.00 0.89 C ATOM 652 CG1 VAL A 42 17.225 19.366 18.960 1.00 0.78 C ATOM 653 CG2 VAL A 42 16.135 17.748 20.532 1.00 0.99 C ATOM 0 H VAL A 42 16.580 22.175 20.366 1.00 0.95 H new ATOM 0 HA VAL A 42 15.276 19.998 21.776 1.00 0.94 H new ATOM 0 HB VAL A 42 15.121 19.249 19.368 1.00 0.89 H new ATOM 0 HG11 VAL A 42 17.200 18.604 18.181 1.00 0.78 H new ATOM 0 HG12 VAL A 42 17.144 20.353 18.504 1.00 0.78 H new ATOM 0 HG13 VAL A 42 18.165 19.295 19.507 1.00 0.78 H new ATOM 0 HG21 VAL A 42 16.133 17.006 19.734 1.00 0.99 H new ATOM 0 HG22 VAL A 42 17.054 17.656 21.111 1.00 0.99 H new ATOM 0 HG23 VAL A 42 15.277 17.582 21.184 1.00 0.99 H new ATOM 663 N GLN A 43 17.544 19.180 22.629 1.00 0.91 N ATOM 664 CA GLN A 43 18.837 18.904 23.318 1.00 0.89 C ATOM 665 C GLN A 43 19.173 17.433 23.047 1.00 0.87 C ATOM 666 O GLN A 43 18.270 16.613 22.997 1.00 0.96 O ATOM 667 CB GLN A 43 18.677 19.140 24.822 1.00 1.00 C ATOM 668 CG GLN A 43 18.352 20.614 25.074 1.00 1.15 C ATOM 669 CD GLN A 43 18.269 20.866 26.581 1.00 1.48 C ATOM 670 OE1 GLN A 43 17.298 21.414 27.064 1.00 1.97 O ATOM 671 NE2 GLN A 43 19.253 20.485 27.348 1.00 2.02 N ATOM 0 H GLN A 43 16.803 18.517 22.859 1.00 0.91 H new ATOM 0 HA GLN A 43 19.630 19.558 22.956 1.00 0.89 H new ATOM 0 HB2 GLN A 43 17.882 18.508 25.218 1.00 1.00 H new ATOM 0 HB3 GLN A 43 19.593 18.864 25.344 1.00 1.00 H new ATOM 0 HG2 GLN A 43 19.119 21.248 24.630 1.00 1.15 H new ATOM 0 HG3 GLN A 43 17.407 20.876 24.598 1.00 1.15 H new ATOM 0 HE21 GLN A 43 20.068 20.025 26.942 1.00 2.02 H new ATOM 0 HE22 GLN A 43 19.208 20.647 28.354 1.00 2.02 H new ATOM 680 N LEU A 44 20.430 17.113 22.827 1.00 0.83 N ATOM 681 CA LEU A 44 20.827 15.714 22.471 1.00 0.84 C ATOM 682 C LEU A 44 21.735 15.146 23.568 1.00 0.88 C ATOM 683 O LEU A 44 22.950 15.153 23.452 1.00 0.88 O ATOM 684 CB LEU A 44 21.532 15.711 21.108 1.00 0.79 C ATOM 685 CG LEU A 44 21.087 14.511 20.265 1.00 0.95 C ATOM 686 CD1 LEU A 44 21.818 14.557 18.923 1.00 1.37 C ATOM 687 CD2 LEU A 44 21.433 13.190 20.961 1.00 1.44 C ATOM 0 H LEU A 44 21.206 17.773 22.881 1.00 0.83 H new ATOM 0 HA LEU A 44 19.942 15.082 22.398 1.00 0.84 H new ATOM 0 HB2 LEU A 44 21.309 16.636 20.577 1.00 0.79 H new ATOM 0 HB3 LEU A 44 22.612 15.679 21.253 1.00 0.79 H new ATOM 0 HG LEU A 44 20.007 14.564 20.128 1.00 0.95 H new ATOM 0 HD11 LEU A 44 21.511 13.708 18.312 1.00 1.37 H new ATOM 0 HD12 LEU A 44 21.571 15.484 18.406 1.00 1.37 H new ATOM 0 HD13 LEU A 44 22.894 14.511 19.093 1.00 1.37 H new ATOM 0 HD21 LEU A 44 21.106 12.355 20.341 1.00 1.44 H new ATOM 0 HD22 LEU A 44 22.511 13.130 21.112 1.00 1.44 H new ATOM 0 HD23 LEU A 44 20.929 13.144 21.926 1.00 1.44 H new ATOM 699 N THR A 45 21.111 14.613 24.598 1.00 0.97 N ATOM 700 CA THR A 45 21.801 13.922 25.737 1.00 1.07 C ATOM 701 C THR A 45 23.158 14.560 26.089 1.00 1.04 C ATOM 702 O THR A 45 24.171 13.887 26.217 1.00 1.02 O ATOM 703 CB THR A 45 21.934 12.436 25.379 1.00 1.11 C ATOM 704 OG1 THR A 45 20.645 11.904 25.111 1.00 1.36 O ATOM 705 CG2 THR A 45 22.567 11.667 26.542 1.00 1.38 C ATOM 0 H THR A 45 20.096 14.633 24.696 1.00 0.97 H new ATOM 0 HA THR A 45 21.201 14.033 26.640 1.00 1.07 H new ATOM 0 HB THR A 45 22.570 12.336 24.499 1.00 1.11 H new ATOM 0 HG1 THR A 45 20.724 10.955 24.881 1.00 1.36 H new ATOM 0 HG21 THR A 45 22.656 10.614 26.276 1.00 1.38 H new ATOM 0 HG22 THR A 45 23.557 12.073 26.751 1.00 1.38 H new ATOM 0 HG23 THR A 45 21.940 11.766 27.428 1.00 1.38 H new ATOM 713 N GLY A 46 23.149 15.861 26.261 1.00 1.07 N ATOM 714 CA GLY A 46 24.385 16.618 26.624 1.00 1.11 C ATOM 715 C GLY A 46 25.446 16.413 25.540 1.00 0.98 C ATOM 716 O GLY A 46 26.601 16.171 25.837 1.00 1.02 O ATOM 0 H GLY A 46 22.316 16.441 26.162 1.00 1.07 H new ATOM 0 HA2 GLY A 46 24.157 17.679 26.729 1.00 1.11 H new ATOM 0 HA3 GLY A 46 24.764 16.277 27.588 1.00 1.11 H new ATOM 720 N PHE A 47 25.050 16.585 24.303 1.00 0.87 N ATOM 721 CA PHE A 47 25.986 16.481 23.139 1.00 0.78 C ATOM 722 C PHE A 47 25.677 17.642 22.194 1.00 0.78 C ATOM 723 O PHE A 47 26.576 18.244 21.634 1.00 0.90 O ATOM 724 CB PHE A 47 25.721 15.226 22.314 1.00 0.72 C ATOM 725 CG PHE A 47 25.627 13.983 23.145 1.00 0.79 C ATOM 726 CD1 PHE A 47 26.508 13.751 24.201 1.00 1.52 C ATOM 727 CD2 PHE A 47 24.729 12.996 22.744 1.00 1.31 C ATOM 728 CE1 PHE A 47 26.476 12.528 24.868 1.00 1.62 C ATOM 729 CE2 PHE A 47 24.690 11.775 23.410 1.00 1.39 C ATOM 730 CZ PHE A 47 25.563 11.536 24.480 1.00 1.07 C ATOM 0 H PHE A 47 24.087 16.800 24.044 1.00 0.87 H new ATOM 0 HA PHE A 47 27.004 16.475 23.527 1.00 0.78 H new ATOM 0 HB2 PHE A 47 24.793 15.354 21.757 1.00 0.72 H new ATOM 0 HB3 PHE A 47 26.519 15.106 21.581 1.00 0.72 H new ATOM 0 HD1 PHE A 47 27.211 14.515 24.500 1.00 1.52 H new ATOM 0 HD2 PHE A 47 24.062 13.179 21.915 1.00 1.31 H new ATOM 0 HE1 PHE A 47 27.156 12.343 25.686 1.00 1.62 H new ATOM 0 HE2 PHE A 47 23.989 11.013 23.103 1.00 1.39 H new ATOM 0 HZ PHE A 47 25.533 10.592 25.004 1.00 1.07 H new ATOM 740 N LEU A 48 24.407 17.764 21.856 1.00 0.73 N ATOM 741 CA LEU A 48 23.977 18.684 20.753 1.00 0.79 C ATOM 742 C LEU A 48 22.660 19.410 21.080 1.00 0.75 C ATOM 743 O LEU A 48 21.596 18.822 20.970 1.00 0.84 O ATOM 744 CB LEU A 48 23.786 17.817 19.503 1.00 0.87 C ATOM 745 CG LEU A 48 23.649 18.700 18.262 1.00 1.36 C ATOM 746 CD1 LEU A 48 25.017 18.825 17.595 1.00 2.07 C ATOM 747 CD2 LEU A 48 22.664 18.068 17.277 1.00 1.88 C ATOM 0 H LEU A 48 23.645 17.257 22.306 1.00 0.73 H new ATOM 0 HA LEU A 48 24.733 19.455 20.608 1.00 0.79 H new ATOM 0 HB2 LEU A 48 24.634 17.143 19.386 1.00 0.87 H new ATOM 0 HB3 LEU A 48 22.898 17.195 19.615 1.00 0.87 H new ATOM 0 HG LEU A 48 23.280 19.683 18.553 1.00 1.36 H new ATOM 0 HD11 LEU A 48 24.933 19.453 16.708 1.00 2.07 H new ATOM 0 HD12 LEU A 48 25.722 19.276 18.293 1.00 2.07 H new ATOM 0 HD13 LEU A 48 25.373 17.836 17.307 1.00 2.07 H new ATOM 0 HD21 LEU A 48 22.572 18.703 16.396 1.00 1.88 H new ATOM 0 HD22 LEU A 48 23.028 17.085 16.979 1.00 1.88 H new ATOM 0 HD23 LEU A 48 21.689 17.965 17.753 1.00 1.88 H new ATOM 759 N ASN A 49 22.724 20.699 21.366 1.00 0.73 N ATOM 760 CA ASN A 49 21.484 21.515 21.581 1.00 0.75 C ATOM 761 C ASN A 49 21.166 22.274 20.286 1.00 0.75 C ATOM 762 O ASN A 49 21.900 23.170 19.910 1.00 0.84 O ATOM 763 CB ASN A 49 21.686 22.522 22.722 1.00 0.85 C ATOM 764 CG ASN A 49 22.253 21.856 23.984 1.00 1.39 C ATOM 765 OD1 ASN A 49 22.836 20.789 23.943 1.00 2.10 O ATOM 766 ND2 ASN A 49 22.131 22.472 25.128 1.00 2.00 N ATOM 0 H ASN A 49 23.595 21.221 21.459 1.00 0.73 H new ATOM 0 HA ASN A 49 20.662 20.851 21.848 1.00 0.75 H new ATOM 0 HB2 ASN A 49 22.362 23.311 22.394 1.00 0.85 H new ATOM 0 HB3 ASN A 49 20.734 22.997 22.959 1.00 0.85 H new ATOM 0 HD21 ASN A 49 22.522 22.058 25.974 1.00 2.00 H new ATOM 0 HD22 ASN A 49 21.644 23.367 25.176 1.00 2.00 H new ATOM 773 N ILE A 50 20.138 21.850 19.579 1.00 0.74 N ATOM 774 CA ILE A 50 19.808 22.433 18.236 1.00 0.76 C ATOM 775 C ILE A 50 18.904 23.665 18.358 1.00 0.85 C ATOM 776 O ILE A 50 18.013 23.705 19.192 1.00 0.96 O ATOM 777 CB ILE A 50 19.121 21.397 17.338 1.00 0.82 C ATOM 778 CG1 ILE A 50 19.842 20.047 17.430 1.00 0.82 C ATOM 779 CG2 ILE A 50 19.161 21.884 15.888 1.00 1.02 C ATOM 780 CD1 ILE A 50 19.090 18.983 16.624 1.00 1.50 C ATOM 0 H ILE A 50 19.504 21.111 19.884 1.00 0.74 H new ATOM 0 HA ILE A 50 20.754 22.734 17.786 1.00 0.76 H new ATOM 0 HB ILE A 50 18.090 21.273 17.668 1.00 0.82 H new ATOM 0 HG12 ILE A 50 20.860 20.145 17.054 1.00 0.82 H new ATOM 0 HG13 ILE A 50 19.916 19.738 18.473 1.00 0.82 H new ATOM 0 HG21 ILE A 50 18.674 21.151 15.245 1.00 1.02 H new ATOM 0 HG22 ILE A 50 18.640 22.838 15.810 1.00 1.02 H new ATOM 0 HG23 ILE A 50 20.197 22.010 15.575 1.00 1.02 H new ATOM 0 HD11 ILE A 50 19.615 18.031 16.700 1.00 1.50 H new ATOM 0 HD12 ILE A 50 18.080 18.873 17.019 1.00 1.50 H new ATOM 0 HD13 ILE A 50 19.039 19.287 15.579 1.00 1.50 H new ATOM 792 N LYS A 51 19.102 24.614 17.465 1.00 0.86 N ATOM 793 CA LYS A 51 18.282 25.861 17.410 1.00 0.97 C ATOM 794 C LYS A 51 18.502 26.505 16.029 1.00 0.95 C ATOM 795 O LYS A 51 19.616 26.912 15.749 1.00 1.12 O ATOM 796 CB LYS A 51 18.744 26.823 18.508 1.00 1.11 C ATOM 797 CG LYS A 51 17.937 26.591 19.794 1.00 1.39 C ATOM 798 CD LYS A 51 18.876 26.285 20.964 1.00 1.60 C ATOM 799 CE LYS A 51 18.098 26.399 22.276 1.00 2.11 C ATOM 800 NZ LYS A 51 19.032 26.761 23.379 1.00 2.55 N ATOM 0 H LYS A 51 19.827 24.566 16.749 1.00 0.86 H new ATOM 0 HA LYS A 51 17.226 25.636 17.562 1.00 0.97 H new ATOM 0 HB2 LYS A 51 19.806 26.677 18.706 1.00 1.11 H new ATOM 0 HB3 LYS A 51 18.621 27.853 18.174 1.00 1.11 H new ATOM 0 HG2 LYS A 51 17.339 27.474 20.020 1.00 1.39 H new ATOM 0 HG3 LYS A 51 17.242 25.764 19.651 1.00 1.39 H new ATOM 0 HD2 LYS A 51 19.292 25.283 20.860 1.00 1.60 H new ATOM 0 HD3 LYS A 51 19.716 26.980 20.964 1.00 1.60 H new ATOM 0 HE2 LYS A 51 17.318 27.154 22.184 1.00 2.11 H new ATOM 0 HE3 LYS A 51 17.602 25.454 22.500 1.00 2.11 H new ATOM 0 HZ1 LYS A 51 18.503 26.838 24.271 1.00 2.55 H new ATOM 0 HZ2 LYS A 51 19.761 26.025 23.472 1.00 2.55 H new ATOM 0 HZ3 LYS A 51 19.485 27.672 23.165 1.00 2.55 H new ATOM 814 N PRO A 52 17.490 26.454 15.179 1.00 1.23 N ATOM 815 CA PRO A 52 17.672 26.884 13.759 1.00 1.28 C ATOM 816 C PRO A 52 17.713 28.404 13.624 1.00 1.26 C ATOM 817 O PRO A 52 17.195 29.119 14.464 1.00 1.38 O ATOM 818 CB PRO A 52 16.423 26.382 13.032 1.00 1.89 C ATOM 819 CG PRO A 52 15.341 26.240 14.107 1.00 2.27 C ATOM 820 CD PRO A 52 16.076 26.072 15.443 1.00 1.76 C ATOM 0 HA PRO A 52 18.609 26.493 13.362 1.00 1.28 H new ATOM 0 HB2 PRO A 52 16.114 27.083 12.257 1.00 1.89 H new ATOM 0 HB3 PRO A 52 16.614 25.428 12.541 1.00 1.89 H new ATOM 0 HG2 PRO A 52 14.696 27.118 14.127 1.00 2.27 H new ATOM 0 HG3 PRO A 52 14.703 25.380 13.904 1.00 2.27 H new ATOM 0 HD2 PRO A 52 15.637 26.706 16.213 1.00 1.76 H new ATOM 0 HD3 PRO A 52 16.009 25.044 15.800 1.00 1.76 H new ATOM 828 N VAL A 53 18.210 28.859 12.497 1.00 1.35 N ATOM 829 CA VAL A 53 18.184 30.312 12.155 1.00 1.70 C ATOM 830 C VAL A 53 17.713 30.470 10.700 1.00 2.08 C ATOM 831 O VAL A 53 18.532 30.459 9.789 1.00 2.64 O ATOM 832 CB VAL A 53 19.600 30.870 12.324 1.00 1.78 C ATOM 833 CG1 VAL A 53 19.598 32.376 12.056 1.00 2.36 C ATOM 834 CG2 VAL A 53 20.087 30.601 13.749 1.00 1.86 C ATOM 0 H VAL A 53 18.641 28.268 11.787 1.00 1.35 H new ATOM 0 HA VAL A 53 17.501 30.856 12.807 1.00 1.70 H new ATOM 0 HB VAL A 53 20.268 30.382 11.614 1.00 1.78 H new ATOM 0 HG11 VAL A 53 20.608 32.769 12.177 1.00 2.36 H new ATOM 0 HG12 VAL A 53 19.256 32.564 11.038 1.00 2.36 H new ATOM 0 HG13 VAL A 53 18.929 32.870 12.761 1.00 2.36 H new ATOM 0 HG21 VAL A 53 21.095 30.998 13.870 1.00 1.86 H new ATOM 0 HG22 VAL A 53 19.418 31.086 14.460 1.00 1.86 H new ATOM 0 HG23 VAL A 53 20.095 29.527 13.934 1.00 1.86 H new ATOM 844 N ALA A 54 16.411 30.503 10.458 1.00 1.97 N ATOM 845 CA ALA A 54 15.898 30.570 9.083 1.00 2.43 C ATOM 846 C ALA A 54 16.259 31.911 8.458 1.00 2.43 C ATOM 847 O ALA A 54 16.163 32.955 9.079 1.00 3.02 O ATOM 848 CB ALA A 54 14.413 30.277 9.123 1.00 2.75 C ATOM 0 H ALA A 54 15.692 30.485 11.181 1.00 1.97 H new ATOM 0 HA ALA A 54 16.359 29.821 8.439 1.00 2.43 H new ATOM 0 HB1 ALA A 54 14.006 30.320 8.113 1.00 2.75 H new ATOM 0 HB2 ALA A 54 14.249 29.282 9.538 1.00 2.75 H new ATOM 0 HB3 ALA A 54 13.913 31.017 9.748 1.00 2.75 H new ATOM 854 N ARG A 55 16.714 31.825 7.235 1.00 1.89 N ATOM 855 CA ARG A 55 17.167 33.039 6.478 1.00 2.02 C ATOM 856 C ARG A 55 17.336 32.819 4.954 1.00 2.14 C ATOM 857 O ARG A 55 18.446 32.693 4.456 1.00 2.18 O ATOM 858 CB ARG A 55 18.464 33.553 7.116 1.00 2.05 C ATOM 859 CG ARG A 55 19.508 32.434 7.157 1.00 2.16 C ATOM 860 CD ARG A 55 20.486 32.704 8.301 1.00 2.34 C ATOM 861 NE ARG A 55 21.372 33.842 7.929 1.00 2.35 N ATOM 862 CZ ARG A 55 22.082 34.445 8.842 1.00 2.67 C ATOM 863 NH1 ARG A 55 22.748 33.746 9.718 1.00 3.08 N ATOM 864 NH2 ARG A 55 22.121 35.749 8.879 1.00 3.21 N ATOM 0 H ARG A 55 16.794 30.950 6.716 1.00 1.89 H new ATOM 0 HA ARG A 55 16.376 33.785 6.555 1.00 2.02 H new ATOM 0 HB2 ARG A 55 18.848 34.399 6.546 1.00 2.05 H new ATOM 0 HB3 ARG A 55 18.265 33.912 8.126 1.00 2.05 H new ATOM 0 HG2 ARG A 55 19.020 31.470 7.299 1.00 2.16 H new ATOM 0 HG3 ARG A 55 20.043 32.384 6.209 1.00 2.16 H new ATOM 0 HD2 ARG A 55 19.940 32.936 9.215 1.00 2.34 H new ATOM 0 HD3 ARG A 55 21.082 31.814 8.503 1.00 2.34 H new ATOM 0 HE ARG A 55 21.424 34.150 6.958 1.00 2.35 H new ATOM 0 HH11 ARG A 55 22.714 32.727 9.690 1.00 3.08 H new ATOM 0 HH12 ARG A 55 23.303 34.218 10.432 1.00 3.08 H new ATOM 0 HH21 ARG A 55 21.597 36.295 8.195 1.00 3.21 H new ATOM 0 HH22 ARG A 55 22.676 36.223 9.592 1.00 3.21 H new ATOM 878 N GLN A 56 16.262 32.954 4.208 1.00 2.27 N ATOM 879 CA GLN A 56 16.298 33.027 2.709 1.00 2.51 C ATOM 880 C GLN A 56 15.364 34.165 2.274 1.00 1.93 C ATOM 881 O GLN A 56 15.764 35.078 1.575 1.00 1.98 O ATOM 882 CB GLN A 56 15.831 31.710 2.090 1.00 3.45 C ATOM 883 CG GLN A 56 17.045 30.833 1.776 1.00 3.85 C ATOM 884 CD GLN A 56 17.732 31.344 0.509 1.00 4.57 C ATOM 885 OE1 GLN A 56 17.082 31.617 -0.481 1.00 5.25 O ATOM 886 NE2 GLN A 56 19.030 31.468 0.493 1.00 4.76 N ATOM 0 H GLN A 56 15.321 33.019 4.596 1.00 2.27 H new ATOM 0 HA GLN A 56 17.318 33.211 2.372 1.00 2.51 H new ATOM 0 HB2 GLN A 56 15.162 31.191 2.776 1.00 3.45 H new ATOM 0 HB3 GLN A 56 15.265 31.905 1.179 1.00 3.45 H new ATOM 0 HG2 GLN A 56 17.744 30.849 2.612 1.00 3.85 H new ATOM 0 HG3 GLN A 56 16.733 29.797 1.640 1.00 3.85 H new ATOM 0 HE21 GLN A 56 19.575 31.239 1.324 1.00 4.76 H new ATOM 0 HE22 GLN A 56 19.501 31.794 -0.351 1.00 4.76 H new ATOM 895 N ALA A 57 14.153 34.134 2.776 1.00 1.88 N ATOM 896 CA ALA A 57 13.130 35.195 2.555 1.00 1.89 C ATOM 897 C ALA A 57 12.890 35.450 1.072 1.00 1.99 C ATOM 898 O ALA A 57 13.689 36.092 0.414 1.00 2.26 O ATOM 899 CB ALA A 57 13.567 36.480 3.246 1.00 2.65 C ATOM 0 H ALA A 57 13.819 33.369 3.363 1.00 1.88 H new ATOM 0 HA ALA A 57 12.189 34.850 2.983 1.00 1.89 H new ATOM 0 HB1 ALA A 57 12.817 37.254 3.083 1.00 2.65 H new ATOM 0 HB2 ALA A 57 13.675 36.299 4.315 1.00 2.65 H new ATOM 0 HB3 ALA A 57 14.522 36.808 2.835 1.00 2.65 H new ATOM 905 N ARG A 58 11.799 34.920 0.559 1.00 2.26 N ATOM 906 CA ARG A 58 11.445 35.068 -0.889 1.00 2.83 C ATOM 907 C ARG A 58 10.157 34.273 -1.176 1.00 3.63 C ATOM 908 O ARG A 58 10.200 33.075 -1.401 1.00 4.33 O ATOM 909 CB ARG A 58 12.674 34.658 -1.746 1.00 2.77 C ATOM 910 CG ARG A 58 12.397 33.660 -2.878 1.00 2.90 C ATOM 911 CD ARG A 58 13.652 33.515 -3.741 1.00 3.43 C ATOM 912 NE ARG A 58 13.702 32.131 -4.294 1.00 3.75 N ATOM 913 CZ ARG A 58 14.759 31.715 -4.936 1.00 4.16 C ATOM 914 NH1 ARG A 58 15.172 32.346 -6.002 1.00 4.72 N ATOM 915 NH2 ARG A 58 15.411 30.671 -4.503 1.00 4.43 N ATOM 0 H ARG A 58 11.125 34.378 1.100 1.00 2.26 H new ATOM 0 HA ARG A 58 11.220 36.100 -1.158 1.00 2.83 H new ATOM 0 HB2 ARG A 58 13.107 35.559 -2.180 1.00 2.77 H new ATOM 0 HB3 ARG A 58 13.427 34.229 -1.085 1.00 2.77 H new ATOM 0 HG2 ARG A 58 12.112 32.693 -2.464 1.00 2.90 H new ATOM 0 HG3 ARG A 58 11.561 34.005 -3.486 1.00 2.90 H new ATOM 0 HD2 ARG A 58 13.638 34.244 -4.551 1.00 3.43 H new ATOM 0 HD3 ARG A 58 14.543 33.716 -3.146 1.00 3.43 H new ATOM 0 HE ARG A 58 12.905 31.506 -4.170 1.00 3.75 H new ATOM 0 HH11 ARG A 58 14.668 33.167 -6.336 1.00 4.72 H new ATOM 0 HH12 ARG A 58 15.999 32.017 -6.501 1.00 4.72 H new ATOM 0 HH21 ARG A 58 15.094 30.183 -3.665 1.00 4.43 H new ATOM 0 HH22 ARG A 58 16.238 30.343 -5.002 1.00 4.43 H new ATOM 929 N LYS A 59 9.034 34.956 -1.187 1.00 3.88 N ATOM 930 CA LYS A 59 7.729 34.319 -1.548 1.00 4.74 C ATOM 931 C LYS A 59 7.694 34.118 -3.073 1.00 4.47 C ATOM 932 O LYS A 59 8.229 33.129 -3.546 1.00 4.68 O ATOM 933 CB LYS A 59 6.564 35.180 -1.051 1.00 5.75 C ATOM 934 CG LYS A 59 5.238 34.499 -1.404 1.00 6.64 C ATOM 935 CD LYS A 59 4.226 34.723 -0.277 1.00 7.56 C ATOM 936 CE LYS A 59 4.415 33.647 0.795 1.00 8.46 C ATOM 937 NZ LYS A 59 3.600 33.990 1.994 1.00 9.21 N ATOM 0 H LYS A 59 8.969 35.947 -0.956 1.00 3.88 H new ATOM 0 HA LYS A 59 7.628 33.347 -1.066 1.00 4.74 H new ATOM 0 HB2 LYS A 59 6.637 35.321 0.027 1.00 5.75 H new ATOM 0 HB3 LYS A 59 6.609 36.169 -1.506 1.00 5.75 H new ATOM 0 HG2 LYS A 59 4.850 34.901 -2.340 1.00 6.64 H new ATOM 0 HG3 LYS A 59 5.396 33.431 -1.557 1.00 6.64 H new ATOM 0 HD2 LYS A 59 4.362 35.713 0.158 1.00 7.56 H new ATOM 0 HD3 LYS A 59 3.211 34.685 -0.672 1.00 7.56 H new ATOM 0 HE2 LYS A 59 4.116 32.674 0.405 1.00 8.46 H new ATOM 0 HE3 LYS A 59 5.468 33.571 1.067 1.00 8.46 H new ATOM 0 HZ1 LYS A 59 3.729 33.259 2.722 1.00 9.21 H new ATOM 0 HZ2 LYS A 59 3.906 34.910 2.370 1.00 9.21 H new ATOM 0 HZ3 LYS A 59 2.596 34.041 1.728 1.00 9.21 H new ATOM 951 N GLY A 60 7.139 35.044 -3.835 1.00 4.29 N ATOM 952 CA GLY A 60 7.144 34.939 -5.329 1.00 4.37 C ATOM 953 C GLY A 60 6.144 35.948 -5.890 1.00 4.68 C ATOM 954 O GLY A 60 5.028 35.580 -6.221 1.00 5.17 O ATOM 0 H GLY A 60 6.677 35.878 -3.473 1.00 4.29 H new ATOM 0 HA2 GLY A 60 8.142 35.138 -5.719 1.00 4.37 H new ATOM 0 HA3 GLY A 60 6.876 33.929 -5.638 1.00 4.37 H new ATOM 958 N PHE A 61 6.522 37.208 -5.900 1.00 4.46 N ATOM 959 CA PHE A 61 5.564 38.290 -6.315 1.00 4.77 C ATOM 960 C PHE A 61 5.141 38.124 -7.780 1.00 4.99 C ATOM 961 O PHE A 61 4.019 38.405 -8.150 1.00 4.79 O ATOM 962 CB PHE A 61 6.135 39.699 -6.094 1.00 5.24 C ATOM 963 CG PHE A 61 7.582 39.778 -6.507 1.00 5.34 C ATOM 964 CD1 PHE A 61 7.944 39.713 -7.850 1.00 5.55 C ATOM 965 CD2 PHE A 61 8.588 39.857 -5.541 1.00 5.42 C ATOM 966 CE1 PHE A 61 9.256 39.603 -8.199 1.00 5.69 C ATOM 967 CE2 PHE A 61 9.920 39.823 -5.913 1.00 5.52 C ATOM 968 CZ PHE A 61 10.235 39.632 -7.233 1.00 5.58 C ATOM 0 H PHE A 61 7.452 37.534 -5.639 1.00 4.46 H new ATOM 0 HA PHE A 61 4.688 38.183 -5.675 1.00 4.77 H new ATOM 0 HB2 PHE A 61 5.552 40.423 -6.664 1.00 5.24 H new ATOM 0 HB3 PHE A 61 6.040 39.971 -5.043 1.00 5.24 H new ATOM 0 HD1 PHE A 61 7.183 39.750 -8.616 1.00 5.55 H new ATOM 0 HD2 PHE A 61 8.324 39.945 -4.497 1.00 5.42 H new ATOM 0 HE1 PHE A 61 9.529 39.493 -9.238 1.00 5.69 H new ATOM 0 HE2 PHE A 61 10.699 39.945 -5.175 1.00 5.52 H new ATOM 0 HZ PHE A 61 11.268 39.502 -7.519 1.00 5.58 H new ATOM 978 N ASN A 62 6.079 37.750 -8.604 1.00 5.46 N ATOM 979 CA ASN A 62 5.956 37.735 -10.100 1.00 5.81 C ATOM 980 C ASN A 62 7.383 37.628 -10.685 1.00 6.20 C ATOM 981 O ASN A 62 8.346 37.766 -9.956 1.00 6.34 O ATOM 982 CB ASN A 62 5.262 38.983 -10.717 1.00 5.55 C ATOM 983 CG ASN A 62 5.165 40.245 -9.835 1.00 5.74 C ATOM 984 OD1 ASN A 62 6.140 41.120 -9.816 1.00 5.92 O flip ATOM 985 ND2 ASN A 62 4.107 40.544 -9.317 1.00 5.97 N flip ATOM 0 H ASN A 62 6.992 37.431 -8.279 1.00 5.46 H new ATOM 0 HA ASN A 62 5.319 36.888 -10.353 1.00 5.81 H new ATOM 0 HB2 ASN A 62 5.795 39.249 -11.630 1.00 5.55 H new ATOM 0 HB3 ASN A 62 4.252 38.697 -11.010 1.00 5.55 H new ATOM 0 HD21 ASN A 62 3.333 39.880 -9.319 1.00 5.97 H new ATOM 0 HD22 ASN A 62 3.993 41.459 -8.881 1.00 5.97 H new ATOM 992 N PRO A 63 7.480 37.454 -11.988 1.00 6.40 N ATOM 993 CA PRO A 63 8.808 37.437 -12.656 1.00 6.75 C ATOM 994 C PRO A 63 9.164 38.907 -12.903 1.00 6.55 C ATOM 995 O PRO A 63 8.937 39.438 -13.982 1.00 6.86 O ATOM 996 CB PRO A 63 8.584 36.671 -13.970 1.00 7.35 C ATOM 997 CG PRO A 63 7.065 36.581 -14.178 1.00 7.37 C ATOM 998 CD PRO A 63 6.412 37.300 -12.994 1.00 6.76 C ATOM 0 HA PRO A 63 9.612 36.966 -12.091 1.00 6.75 H new ATOM 0 HB2 PRO A 63 9.058 37.188 -14.804 1.00 7.35 H new ATOM 0 HB3 PRO A 63 9.027 35.676 -13.918 1.00 7.35 H new ATOM 0 HG2 PRO A 63 6.776 37.047 -15.120 1.00 7.37 H new ATOM 0 HG3 PRO A 63 6.742 35.541 -14.224 1.00 7.37 H new ATOM 0 HD2 PRO A 63 6.014 38.269 -13.295 1.00 6.76 H new ATOM 0 HD3 PRO A 63 5.578 36.722 -12.596 1.00 6.76 H new ATOM 1006 N GLN A 64 9.615 39.574 -11.863 1.00 6.06 N ATOM 1007 CA GLN A 64 9.863 41.050 -11.961 1.00 5.93 C ATOM 1008 C GLN A 64 10.845 41.619 -10.957 1.00 5.44 C ATOM 1009 O GLN A 64 12.016 41.730 -11.287 1.00 5.44 O ATOM 1010 CB GLN A 64 8.554 41.846 -11.982 1.00 6.09 C ATOM 1011 CG GLN A 64 8.663 43.008 -12.973 1.00 6.27 C ATOM 1012 CD GLN A 64 8.662 42.477 -14.409 1.00 6.71 C ATOM 1013 OE1 GLN A 64 7.917 41.574 -14.738 1.00 6.86 O ATOM 1014 NE2 GLN A 64 9.434 43.040 -15.299 1.00 7.17 N ATOM 0 H GLN A 64 9.821 39.161 -10.954 1.00 6.06 H new ATOM 0 HA GLN A 64 10.363 41.170 -12.922 1.00 5.93 H new ATOM 0 HB2 GLN A 64 7.727 41.194 -12.263 1.00 6.09 H new ATOM 0 HB3 GLN A 64 8.335 42.227 -10.985 1.00 6.09 H new ATOM 0 HG2 GLN A 64 7.830 43.696 -12.831 1.00 6.27 H new ATOM 0 HG3 GLN A 64 9.577 43.571 -12.786 1.00 6.27 H new ATOM 0 HE21 GLN A 64 10.060 43.798 -15.025 1.00 7.17 H new ATOM 0 HE22 GLN A 64 9.411 42.722 -16.268 1.00 7.17 H new ATOM 1023 N THR A 65 10.427 41.874 -9.739 1.00 5.07 N ATOM 1024 CA THR A 65 11.392 42.295 -8.673 1.00 4.65 C ATOM 1025 C THR A 65 12.528 41.254 -8.600 1.00 4.59 C ATOM 1026 O THR A 65 13.592 41.582 -8.114 1.00 4.37 O ATOM 1027 CB THR A 65 10.691 42.495 -7.299 1.00 4.30 C ATOM 1028 OG1 THR A 65 9.302 42.197 -7.372 1.00 3.82 O ATOM 1029 CG2 THR A 65 10.791 43.959 -6.883 1.00 4.69 C ATOM 0 H THR A 65 9.455 41.808 -9.437 1.00 5.07 H new ATOM 0 HA THR A 65 11.813 43.267 -8.931 1.00 4.65 H new ATOM 0 HB THR A 65 11.184 41.829 -6.590 1.00 4.30 H new ATOM 0 HG1 THR A 65 9.145 41.286 -7.045 1.00 3.82 H new ATOM 0 HG21 THR A 65 10.299 44.098 -5.920 1.00 4.69 H new ATOM 0 HG22 THR A 65 11.840 44.243 -6.799 1.00 4.69 H new ATOM 0 HG23 THR A 65 10.305 44.584 -7.632 1.00 4.69 H new ATOM 1037 N GLN A 66 12.265 40.030 -9.086 1.00 4.92 N ATOM 1038 CA GLN A 66 13.113 38.795 -9.030 1.00 5.06 C ATOM 1039 C GLN A 66 12.324 37.543 -8.537 1.00 4.77 C ATOM 1040 O GLN A 66 12.900 36.644 -7.933 1.00 4.68 O ATOM 1041 CB GLN A 66 14.261 39.005 -8.040 1.00 5.19 C ATOM 1042 CG GLN A 66 15.459 39.674 -8.721 1.00 5.15 C ATOM 1043 CD GLN A 66 16.569 38.645 -8.948 1.00 5.29 C ATOM 1044 OE1 GLN A 66 17.711 38.883 -8.609 1.00 5.62 O ATOM 1045 NE2 GLN A 66 16.283 37.506 -9.519 1.00 5.40 N ATOM 0 H GLN A 66 11.386 39.848 -9.570 1.00 4.92 H new ATOM 0 HA GLN A 66 13.466 38.621 -10.047 1.00 5.06 H new ATOM 0 HB2 GLN A 66 13.920 39.622 -7.208 1.00 5.19 H new ATOM 0 HB3 GLN A 66 14.565 38.045 -7.622 1.00 5.19 H new ATOM 0 HG2 GLN A 66 15.152 40.107 -9.673 1.00 5.15 H new ATOM 0 HG3 GLN A 66 15.830 40.492 -8.103 1.00 5.15 H new ATOM 0 HE21 GLN A 66 15.325 37.305 -9.804 1.00 5.40 H new ATOM 0 HE22 GLN A 66 17.018 36.817 -9.680 1.00 5.40 H new ATOM 1054 N GLU A 67 11.034 37.435 -8.792 1.00 4.78 N ATOM 1055 CA GLU A 67 10.175 36.341 -8.206 1.00 4.59 C ATOM 1056 C GLU A 67 10.537 36.091 -6.726 1.00 4.00 C ATOM 1057 O GLU A 67 11.407 35.282 -6.436 1.00 3.91 O ATOM 1058 CB GLU A 67 10.359 35.070 -9.041 1.00 4.92 C ATOM 1059 CG GLU A 67 9.021 34.339 -9.169 1.00 5.45 C ATOM 1060 CD GLU A 67 9.178 33.174 -10.147 1.00 5.92 C ATOM 1061 OE1 GLU A 67 9.597 32.115 -9.710 1.00 6.09 O ATOM 1062 OE2 GLU A 67 8.883 33.362 -11.316 1.00 6.34 O ATOM 0 H GLU A 67 10.526 38.078 -9.399 1.00 4.78 H new ATOM 0 HA GLU A 67 9.128 36.643 -8.235 1.00 4.59 H new ATOM 0 HB2 GLU A 67 10.741 35.325 -10.029 1.00 4.92 H new ATOM 0 HB3 GLU A 67 11.097 34.419 -8.572 1.00 4.92 H new ATOM 0 HG2 GLU A 67 8.699 33.971 -8.195 1.00 5.45 H new ATOM 0 HG3 GLU A 67 8.250 35.025 -9.522 1.00 5.45 H new ATOM 1069 N ALA A 68 9.944 36.845 -5.816 1.00 3.76 N ATOM 1070 CA ALA A 68 10.312 36.737 -4.364 1.00 3.28 C ATOM 1071 C ALA A 68 9.417 37.537 -3.406 1.00 3.27 C ATOM 1072 O ALA A 68 8.530 36.947 -2.827 1.00 3.38 O ATOM 1073 CB ALA A 68 11.773 37.155 -4.191 1.00 3.26 C ATOM 0 H ALA A 68 9.219 37.532 -6.023 1.00 3.76 H new ATOM 0 HA ALA A 68 10.158 35.694 -4.087 1.00 3.28 H new ATOM 0 HB1 ALA A 68 12.051 37.080 -3.140 1.00 3.26 H new ATOM 0 HB2 ALA A 68 12.412 36.499 -4.783 1.00 3.26 H new ATOM 0 HB3 ALA A 68 11.899 38.184 -4.527 1.00 3.26 H new ATOM 1079 N LEU A 69 9.689 38.804 -3.132 1.00 3.44 N ATOM 1080 CA LEU A 69 8.859 39.610 -2.160 1.00 3.66 C ATOM 1081 C LEU A 69 9.222 39.332 -0.692 1.00 3.30 C ATOM 1082 O LEU A 69 9.756 40.221 -0.047 1.00 3.30 O ATOM 1083 CB LEU A 69 7.346 39.362 -2.360 1.00 3.64 C ATOM 1084 CG LEU A 69 6.594 40.657 -2.682 1.00 4.46 C ATOM 1085 CD1 LEU A 69 5.099 40.342 -2.782 1.00 4.77 C ATOM 1086 CD2 LEU A 69 6.835 41.718 -1.598 1.00 4.83 C ATOM 0 H LEU A 69 10.464 39.320 -3.549 1.00 3.44 H new ATOM 0 HA LEU A 69 9.089 40.653 -2.377 1.00 3.66 H new ATOM 0 HB2 LEU A 69 7.199 38.646 -3.169 1.00 3.64 H new ATOM 0 HB3 LEU A 69 6.929 38.914 -1.458 1.00 3.64 H new ATOM 0 HG LEU A 69 6.959 41.058 -3.628 1.00 4.46 H new ATOM 0 HD11 LEU A 69 4.549 41.255 -3.011 1.00 4.77 H new ATOM 0 HD12 LEU A 69 4.933 39.611 -3.573 1.00 4.77 H new ATOM 0 HD13 LEU A 69 4.748 39.936 -1.833 1.00 4.77 H new ATOM 0 HD21 LEU A 69 6.290 42.627 -1.851 1.00 4.83 H new ATOM 0 HD22 LEU A 69 6.486 41.342 -0.636 1.00 4.83 H new ATOM 0 HD23 LEU A 69 7.900 41.939 -1.536 1.00 4.83 H new ATOM 1098 N GLU A 70 8.709 38.254 -0.119 1.00 3.48 N ATOM 1099 CA GLU A 70 8.708 38.109 1.375 1.00 3.59 C ATOM 1100 C GLU A 70 9.453 36.859 1.899 1.00 2.82 C ATOM 1101 O GLU A 70 10.665 36.929 2.010 1.00 2.83 O ATOM 1102 CB GLU A 70 7.249 38.169 1.848 1.00 4.57 C ATOM 1103 CG GLU A 70 6.712 39.602 1.734 1.00 5.37 C ATOM 1104 CD GLU A 70 6.405 40.164 3.124 1.00 6.20 C ATOM 1105 OE1 GLU A 70 5.301 39.952 3.596 1.00 6.76 O ATOM 1106 OE2 GLU A 70 7.282 40.794 3.694 1.00 6.50 O ATOM 0 H GLU A 70 8.293 37.473 -0.626 1.00 3.48 H new ATOM 0 HA GLU A 70 9.281 38.932 1.801 1.00 3.59 H new ATOM 0 HB2 GLU A 70 6.637 37.495 1.249 1.00 4.57 H new ATOM 0 HB3 GLU A 70 7.180 37.828 2.881 1.00 4.57 H new ATOM 0 HG2 GLU A 70 7.445 40.234 1.232 1.00 5.37 H new ATOM 0 HG3 GLU A 70 5.810 39.612 1.122 1.00 5.37 H new ATOM 1113 N ILE A 71 8.763 35.879 2.475 1.00 2.50 N ATOM 1114 CA ILE A 71 9.422 34.848 3.334 1.00 1.80 C ATOM 1115 C ILE A 71 9.579 33.509 2.576 1.00 1.37 C ATOM 1116 O ILE A 71 8.800 33.222 1.683 1.00 1.40 O ATOM 1117 CB ILE A 71 8.666 34.753 4.687 1.00 1.66 C ATOM 1118 CG1 ILE A 71 7.708 33.560 4.774 1.00 1.79 C ATOM 1119 CG2 ILE A 71 7.880 36.027 5.040 1.00 1.82 C ATOM 1120 CD1 ILE A 71 8.515 32.369 5.281 1.00 1.86 C ATOM 0 H ILE A 71 7.755 35.760 2.376 1.00 2.50 H new ATOM 0 HA ILE A 71 10.444 35.142 3.573 1.00 1.80 H new ATOM 0 HB ILE A 71 9.469 34.616 5.411 1.00 1.66 H new ATOM 0 HG12 ILE A 71 6.881 33.779 5.449 1.00 1.79 H new ATOM 0 HG13 ILE A 71 7.274 33.343 3.798 1.00 1.79 H new ATOM 0 HG21 ILE A 71 7.377 35.890 5.997 1.00 1.82 H new ATOM 0 HG22 ILE A 71 8.567 36.871 5.108 1.00 1.82 H new ATOM 0 HG23 ILE A 71 7.139 36.224 4.265 1.00 1.82 H new ATOM 0 HD11 ILE A 71 7.867 31.496 5.357 1.00 1.86 H new ATOM 0 HD12 ILE A 71 9.328 32.158 4.586 1.00 1.86 H new ATOM 0 HD13 ILE A 71 8.928 32.601 6.263 1.00 1.86 H new ATOM 1132 N ALA A 72 10.688 32.815 2.802 1.00 1.44 N ATOM 1133 CA ALA A 72 11.077 31.637 1.950 1.00 1.49 C ATOM 1134 C ALA A 72 11.595 30.445 2.768 1.00 1.78 C ATOM 1135 O ALA A 72 11.710 30.577 3.956 1.00 2.46 O ATOM 1136 CB ALA A 72 12.184 32.098 0.995 1.00 1.71 C ATOM 0 H ALA A 72 11.345 33.024 3.554 1.00 1.44 H new ATOM 0 HA ALA A 72 10.187 31.296 1.421 1.00 1.49 H new ATOM 0 HB1 ALA A 72 12.489 31.265 0.362 1.00 1.71 H new ATOM 0 HB2 ALA A 72 11.811 32.910 0.371 1.00 1.71 H new ATOM 0 HB3 ALA A 72 13.040 32.447 1.572 1.00 1.71 H new ATOM 1142 N PRO A 73 11.979 29.365 2.103 1.00 1.57 N ATOM 1143 CA PRO A 73 12.613 28.227 2.843 1.00 1.96 C ATOM 1144 C PRO A 73 14.005 28.715 3.246 1.00 2.02 C ATOM 1145 O PRO A 73 14.762 29.088 2.370 1.00 2.78 O ATOM 1146 CB PRO A 73 12.695 27.068 1.844 1.00 2.40 C ATOM 1147 CG PRO A 73 12.147 27.577 0.502 1.00 2.13 C ATOM 1148 CD PRO A 73 11.895 29.081 0.645 1.00 1.69 C ATOM 0 HA PRO A 73 12.069 27.903 3.730 1.00 1.96 H new ATOM 0 HB2 PRO A 73 13.725 26.729 1.734 1.00 2.40 H new ATOM 0 HB3 PRO A 73 12.115 26.216 2.197 1.00 2.40 H new ATOM 0 HG2 PRO A 73 12.858 27.383 -0.301 1.00 2.13 H new ATOM 0 HG3 PRO A 73 11.225 27.057 0.243 1.00 2.13 H new ATOM 0 HD2 PRO A 73 12.636 29.657 0.090 1.00 1.69 H new ATOM 0 HD3 PRO A 73 10.917 29.354 0.248 1.00 1.69 H new ATOM 1156 N SER A 74 14.227 28.957 4.523 1.00 1.59 N ATOM 1157 CA SER A 74 15.328 29.802 4.998 1.00 1.71 C ATOM 1158 C SER A 74 15.949 28.980 6.135 1.00 1.56 C ATOM 1159 O SER A 74 15.218 28.744 7.058 1.00 1.76 O ATOM 1160 CB SER A 74 14.503 31.001 5.506 1.00 2.15 C ATOM 1161 OG SER A 74 13.794 31.581 4.436 1.00 2.69 O ATOM 0 H SER A 74 13.650 28.575 5.272 1.00 1.59 H new ATOM 0 HA SER A 74 16.127 30.105 4.321 1.00 1.71 H new ATOM 0 HB2 SER A 74 13.808 30.674 6.280 1.00 2.15 H new ATOM 0 HB3 SER A 74 15.162 31.741 5.961 1.00 2.15 H new ATOM 0 HG SER A 74 12.832 31.531 4.616 1.00 2.69 H new ATOM 1167 N VAL A 75 17.244 28.701 6.194 1.00 1.95 N ATOM 1168 CA VAL A 75 17.858 28.119 7.454 1.00 2.22 C ATOM 1169 C VAL A 75 19.317 27.671 7.338 1.00 1.80 C ATOM 1170 O VAL A 75 19.771 27.129 6.349 1.00 2.13 O ATOM 1171 CB VAL A 75 17.068 26.957 8.115 1.00 2.66 C ATOM 1172 CG1 VAL A 75 16.264 27.472 9.319 1.00 2.98 C ATOM 1173 CG2 VAL A 75 16.143 26.227 7.138 1.00 3.12 C ATOM 0 H VAL A 75 17.901 28.850 5.428 1.00 1.95 H new ATOM 0 HA VAL A 75 17.805 28.998 8.096 1.00 2.22 H new ATOM 0 HB VAL A 75 17.809 26.231 8.451 1.00 2.66 H new ATOM 0 HG11 VAL A 75 15.716 26.645 9.771 1.00 2.98 H new ATOM 0 HG12 VAL A 75 16.945 27.901 10.054 1.00 2.98 H new ATOM 0 HG13 VAL A 75 15.560 28.235 8.987 1.00 2.98 H new ATOM 0 HG21 VAL A 75 15.620 25.427 7.661 1.00 3.12 H new ATOM 0 HG22 VAL A 75 15.416 26.930 6.731 1.00 3.12 H new ATOM 0 HG23 VAL A 75 16.733 25.804 6.325 1.00 3.12 H new ATOM 1183 N GLY A 76 19.923 27.693 8.505 1.00 1.37 N ATOM 1184 CA GLY A 76 21.261 27.086 8.759 1.00 1.28 C ATOM 1185 C GLY A 76 21.269 26.762 10.257 1.00 1.06 C ATOM 1186 O GLY A 76 20.811 27.577 11.049 1.00 1.23 O ATOM 0 H GLY A 76 19.516 28.133 9.330 1.00 1.37 H new ATOM 0 HA2 GLY A 76 21.407 26.187 8.160 1.00 1.28 H new ATOM 0 HA3 GLY A 76 22.064 27.776 8.500 1.00 1.28 H new ATOM 1190 N VAL A 77 21.524 25.520 10.591 1.00 1.01 N ATOM 1191 CA VAL A 77 21.330 25.035 11.992 1.00 0.85 C ATOM 1192 C VAL A 77 22.440 25.578 12.900 1.00 0.86 C ATOM 1193 O VAL A 77 23.612 25.380 12.629 1.00 0.97 O ATOM 1194 CB VAL A 77 21.295 23.501 11.985 1.00 0.93 C ATOM 1195 CG1 VAL A 77 22.664 22.923 11.611 1.00 1.47 C ATOM 1196 CG2 VAL A 77 20.869 22.985 13.363 1.00 1.58 C ATOM 0 H VAL A 77 21.864 24.811 9.941 1.00 1.01 H new ATOM 0 HA VAL A 77 20.384 25.401 12.390 1.00 0.85 H new ATOM 0 HB VAL A 77 20.572 23.177 11.237 1.00 0.93 H new ATOM 0 HG11 VAL A 77 22.612 21.834 11.613 1.00 1.47 H new ATOM 0 HG12 VAL A 77 22.947 23.271 10.617 1.00 1.47 H new ATOM 0 HG13 VAL A 77 23.408 23.252 12.336 1.00 1.47 H new ATOM 0 HG21 VAL A 77 20.846 21.895 13.352 1.00 1.58 H new ATOM 0 HG22 VAL A 77 21.581 23.325 14.115 1.00 1.58 H new ATOM 0 HG23 VAL A 77 19.877 23.367 13.604 1.00 1.58 H new ATOM 1206 N SER A 78 22.052 26.208 13.987 1.00 0.89 N ATOM 1207 CA SER A 78 23.029 26.728 14.991 1.00 0.93 C ATOM 1208 C SER A 78 22.895 25.861 16.239 1.00 0.85 C ATOM 1209 O SER A 78 21.786 25.519 16.616 1.00 0.95 O ATOM 1210 CB SER A 78 22.715 28.189 15.328 1.00 1.06 C ATOM 1211 OG SER A 78 23.921 28.937 15.361 1.00 1.63 O ATOM 0 H SER A 78 21.075 26.385 14.222 1.00 0.89 H new ATOM 0 HA SER A 78 24.045 26.688 14.598 1.00 0.93 H new ATOM 0 HB2 SER A 78 22.036 28.607 14.585 1.00 1.06 H new ATOM 0 HB3 SER A 78 22.210 28.251 16.292 1.00 1.06 H new ATOM 0 HG SER A 78 23.720 29.872 15.575 1.00 1.63 H new ATOM 1217 N VAL A 79 24.005 25.426 16.786 1.00 0.84 N ATOM 1218 CA VAL A 79 23.967 24.461 17.924 1.00 0.78 C ATOM 1219 C VAL A 79 25.049 24.775 18.953 1.00 0.80 C ATOM 1220 O VAL A 79 26.197 24.997 18.610 1.00 0.94 O ATOM 1221 CB VAL A 79 24.184 23.043 17.391 1.00 0.82 C ATOM 1222 CG1 VAL A 79 23.960 22.030 18.513 1.00 1.41 C ATOM 1223 CG2 VAL A 79 23.190 22.762 16.263 1.00 1.67 C ATOM 0 H VAL A 79 24.941 25.702 16.489 1.00 0.84 H new ATOM 0 HA VAL A 79 22.994 24.543 18.408 1.00 0.78 H new ATOM 0 HB VAL A 79 25.204 22.956 17.016 1.00 0.82 H new ATOM 0 HG11 VAL A 79 24.115 21.022 18.129 1.00 1.41 H new ATOM 0 HG12 VAL A 79 24.664 22.223 19.323 1.00 1.41 H new ATOM 0 HG13 VAL A 79 22.941 22.122 18.888 1.00 1.41 H new ATOM 0 HG21 VAL A 79 23.346 21.752 15.884 1.00 1.67 H new ATOM 0 HG22 VAL A 79 22.173 22.854 16.643 1.00 1.67 H new ATOM 0 HG23 VAL A 79 23.342 23.479 15.457 1.00 1.67 H new ATOM 1233 N LYS A 80 24.683 24.621 20.201 1.00 0.76 N ATOM 1234 CA LYS A 80 25.650 24.716 21.326 1.00 0.83 C ATOM 1235 C LYS A 80 25.615 23.383 22.082 1.00 0.76 C ATOM 1236 O LYS A 80 24.563 23.021 22.587 1.00 0.76 O ATOM 1237 CB LYS A 80 25.234 25.855 22.259 1.00 0.97 C ATOM 1238 CG LYS A 80 25.846 27.167 21.764 1.00 1.14 C ATOM 1239 CD LYS A 80 27.177 27.424 22.479 1.00 1.47 C ATOM 1240 CE LYS A 80 26.977 28.427 23.620 1.00 1.80 C ATOM 1241 NZ LYS A 80 27.024 27.712 24.927 1.00 2.32 N ATOM 0 H LYS A 80 23.724 24.428 20.490 1.00 0.76 H new ATOM 0 HA LYS A 80 26.656 24.917 20.958 1.00 0.83 H new ATOM 0 HB2 LYS A 80 24.147 25.936 22.289 1.00 0.97 H new ATOM 0 HB3 LYS A 80 25.567 25.647 23.276 1.00 0.97 H new ATOM 0 HG2 LYS A 80 26.005 27.121 20.687 1.00 1.14 H new ATOM 0 HG3 LYS A 80 25.158 27.992 21.950 1.00 1.14 H new ATOM 0 HD2 LYS A 80 27.574 26.488 22.873 1.00 1.47 H new ATOM 0 HD3 LYS A 80 27.911 27.809 21.771 1.00 1.47 H new ATOM 0 HE2 LYS A 80 27.752 29.193 23.585 1.00 1.80 H new ATOM 0 HE3 LYS A 80 26.020 28.936 23.507 1.00 1.80 H new ATOM 0 HZ1 LYS A 80 26.888 28.394 25.701 1.00 2.32 H new ATOM 0 HZ2 LYS A 80 26.269 26.997 24.959 1.00 2.32 H new ATOM 0 HZ3 LYS A 80 27.947 27.246 25.035 1.00 2.32 H new ATOM 1255 N PRO A 81 26.756 22.723 22.158 1.00 0.76 N ATOM 1256 CA PRO A 81 26.821 21.496 23.001 1.00 0.73 C ATOM 1257 C PRO A 81 26.784 21.899 24.474 1.00 0.77 C ATOM 1258 O PRO A 81 26.413 23.022 24.786 1.00 0.87 O ATOM 1259 CB PRO A 81 28.136 20.806 22.651 1.00 0.73 C ATOM 1260 CG PRO A 81 28.648 21.454 21.362 1.00 0.84 C ATOM 1261 CD PRO A 81 27.831 22.729 21.130 1.00 0.83 C ATOM 0 HA PRO A 81 25.981 20.824 22.822 1.00 0.73 H new ATOM 0 HB2 PRO A 81 28.860 20.924 23.457 1.00 0.73 H new ATOM 0 HB3 PRO A 81 27.985 19.735 22.512 1.00 0.73 H new ATOM 0 HG2 PRO A 81 29.709 21.689 21.446 1.00 0.84 H new ATOM 0 HG3 PRO A 81 28.539 20.770 20.520 1.00 0.84 H new ATOM 0 HD2 PRO A 81 28.457 23.616 21.226 1.00 0.83 H new ATOM 0 HD3 PRO A 81 27.409 22.744 20.125 1.00 0.83 H new ATOM 1269 N GLY A 82 27.026 20.957 25.358 1.00 0.79 N ATOM 1270 CA GLY A 82 26.838 21.234 26.816 1.00 0.91 C ATOM 1271 C GLY A 82 28.104 21.034 27.658 1.00 0.92 C ATOM 1272 O GLY A 82 29.094 20.458 27.236 1.00 0.92 O ATOM 0 H GLY A 82 27.344 20.014 25.132 1.00 0.79 H new ATOM 0 HA2 GLY A 82 26.491 22.260 26.938 1.00 0.91 H new ATOM 0 HA3 GLY A 82 26.052 20.584 27.200 1.00 0.91 H new ATOM 1276 N GLU A 83 28.030 21.537 28.869 1.00 0.99 N ATOM 1277 CA GLU A 83 29.089 21.397 29.912 1.00 1.08 C ATOM 1278 C GLU A 83 29.864 20.072 29.866 1.00 1.04 C ATOM 1279 O GLU A 83 30.975 20.057 30.367 1.00 1.07 O ATOM 1280 CB GLU A 83 28.443 21.536 31.293 1.00 1.24 C ATOM 1281 CG GLU A 83 27.310 20.520 31.456 1.00 1.30 C ATOM 1282 CD GLU A 83 26.890 20.467 32.927 1.00 1.63 C ATOM 1283 OE1 GLU A 83 26.485 21.495 33.445 1.00 2.22 O ATOM 1284 OE2 GLU A 83 26.981 19.400 33.512 1.00 2.00 O ATOM 0 H GLU A 83 27.223 22.072 29.190 1.00 0.99 H new ATOM 0 HA GLU A 83 29.816 22.184 29.711 1.00 1.08 H new ATOM 0 HB2 GLU A 83 29.192 21.382 32.069 1.00 1.24 H new ATOM 0 HB3 GLU A 83 28.055 22.547 31.420 1.00 1.24 H new ATOM 0 HG2 GLU A 83 26.461 20.801 30.833 1.00 1.30 H new ATOM 0 HG3 GLU A 83 27.638 19.535 31.123 1.00 1.30 H new ATOM 1291 N SER A 84 29.313 18.985 29.345 1.00 1.00 N ATOM 1292 CA SER A 84 30.063 17.689 29.316 1.00 1.01 C ATOM 1293 C SER A 84 31.162 17.784 28.257 1.00 0.96 C ATOM 1294 O SER A 84 32.329 17.564 28.547 1.00 0.99 O ATOM 1295 CB SER A 84 29.118 16.534 28.981 1.00 1.00 C ATOM 1296 OG SER A 84 28.308 16.888 27.872 1.00 1.46 O ATOM 0 H SER A 84 28.377 18.949 28.941 1.00 1.00 H new ATOM 0 HA SER A 84 30.502 17.500 30.296 1.00 1.01 H new ATOM 0 HB2 SER A 84 29.692 15.636 28.753 1.00 1.00 H new ATOM 0 HB3 SER A 84 28.492 16.302 29.842 1.00 1.00 H new ATOM 0 HG SER A 84 27.853 16.090 27.531 1.00 1.46 H new ATOM 1302 N LEU A 85 30.786 18.172 27.058 1.00 0.91 N ATOM 1303 CA LEU A 85 31.771 18.349 25.948 1.00 0.89 C ATOM 1304 C LEU A 85 32.838 19.356 26.375 1.00 0.92 C ATOM 1305 O LEU A 85 34.017 19.040 26.367 1.00 0.95 O ATOM 1306 CB LEU A 85 31.078 18.864 24.677 1.00 0.86 C ATOM 1307 CG LEU A 85 30.085 17.854 24.069 1.00 0.85 C ATOM 1308 CD1 LEU A 85 29.880 18.196 22.590 1.00 0.99 C ATOM 1309 CD2 LEU A 85 30.573 16.402 24.154 1.00 0.89 C ATOM 0 H LEU A 85 29.820 18.376 26.802 1.00 0.91 H new ATOM 0 HA LEU A 85 32.226 17.382 25.733 1.00 0.89 H new ATOM 0 HB2 LEU A 85 30.548 19.788 24.910 1.00 0.86 H new ATOM 0 HB3 LEU A 85 31.836 19.110 23.933 1.00 0.86 H new ATOM 0 HG LEU A 85 29.162 17.930 24.644 1.00 0.85 H new ATOM 0 HD11 LEU A 85 29.179 17.489 22.147 1.00 0.99 H new ATOM 0 HD12 LEU A 85 29.480 19.206 22.502 1.00 0.99 H new ATOM 0 HD13 LEU A 85 30.835 18.137 22.067 1.00 0.99 H new ATOM 0 HD21 LEU A 85 29.829 15.741 23.709 1.00 0.89 H new ATOM 0 HD22 LEU A 85 31.515 16.303 23.615 1.00 0.89 H new ATOM 0 HD23 LEU A 85 30.722 16.129 25.199 1.00 0.89 H new ATOM 1321 N LYS A 86 32.413 20.536 26.773 1.00 0.95 N ATOM 1322 CA LYS A 86 33.384 21.595 27.194 1.00 1.01 C ATOM 1323 C LYS A 86 34.058 21.233 28.521 1.00 1.05 C ATOM 1324 O LYS A 86 35.135 21.737 28.794 1.00 1.14 O ATOM 1325 CB LYS A 86 32.708 22.958 27.297 1.00 1.08 C ATOM 1326 CG LYS A 86 31.623 22.941 28.372 1.00 1.16 C ATOM 1327 CD LYS A 86 32.216 23.376 29.718 1.00 1.18 C ATOM 1328 CE LYS A 86 31.745 24.792 30.063 1.00 1.34 C ATOM 1329 NZ LYS A 86 31.578 24.919 31.538 1.00 1.71 N ATOM 0 H LYS A 86 31.432 20.809 26.823 1.00 0.95 H new ATOM 0 HA LYS A 86 34.153 21.654 26.424 1.00 1.01 H new ATOM 0 HB2 LYS A 86 33.450 23.721 27.534 1.00 1.08 H new ATOM 0 HB3 LYS A 86 32.270 23.226 26.335 1.00 1.08 H new ATOM 0 HG2 LYS A 86 30.809 23.609 28.090 1.00 1.16 H new ATOM 0 HG3 LYS A 86 31.199 21.940 28.458 1.00 1.16 H new ATOM 0 HD2 LYS A 86 31.911 22.681 30.501 1.00 1.18 H new ATOM 0 HD3 LYS A 86 33.305 23.347 29.672 1.00 1.18 H new ATOM 0 HE2 LYS A 86 32.469 25.524 29.705 1.00 1.34 H new ATOM 0 HE3 LYS A 86 30.801 25.005 29.561 1.00 1.34 H new ATOM 0 HZ1 LYS A 86 31.258 25.881 31.770 1.00 1.71 H new ATOM 0 HZ2 LYS A 86 30.872 24.231 31.868 1.00 1.71 H new ATOM 0 HZ3 LYS A 86 32.487 24.734 32.008 1.00 1.71 H new ATOM 1343 N LYS A 87 33.504 20.297 29.272 1.00 1.04 N ATOM 1344 CA LYS A 87 34.191 19.779 30.500 1.00 1.09 C ATOM 1345 C LYS A 87 35.510 19.154 30.040 1.00 1.07 C ATOM 1346 O LYS A 87 36.543 19.366 30.646 1.00 1.10 O ATOM 1347 CB LYS A 87 33.328 18.727 31.211 1.00 1.12 C ATOM 1348 CG LYS A 87 32.791 19.292 32.531 1.00 1.19 C ATOM 1349 CD LYS A 87 33.919 19.335 33.563 1.00 1.37 C ATOM 1350 CE LYS A 87 33.330 19.527 34.963 1.00 1.67 C ATOM 1351 NZ LYS A 87 34.408 19.371 35.980 1.00 2.04 N ATOM 0 H LYS A 87 32.598 19.870 29.080 1.00 1.04 H new ATOM 0 HA LYS A 87 34.362 20.588 31.210 1.00 1.09 H new ATOM 0 HB2 LYS A 87 32.499 18.431 30.569 1.00 1.12 H new ATOM 0 HB3 LYS A 87 33.918 17.831 31.403 1.00 1.12 H new ATOM 0 HG2 LYS A 87 32.389 20.293 32.374 1.00 1.19 H new ATOM 0 HG3 LYS A 87 31.972 18.673 32.897 1.00 1.19 H new ATOM 0 HD2 LYS A 87 34.496 18.411 33.524 1.00 1.37 H new ATOM 0 HD3 LYS A 87 34.606 20.149 33.332 1.00 1.37 H new ATOM 0 HE2 LYS A 87 32.877 20.515 35.046 1.00 1.67 H new ATOM 0 HE3 LYS A 87 32.540 18.798 35.140 1.00 1.67 H new ATOM 0 HZ1 LYS A 87 34.009 19.501 36.932 1.00 2.04 H new ATOM 0 HZ2 LYS A 87 34.821 18.419 35.905 1.00 2.04 H new ATOM 0 HZ3 LYS A 87 35.147 20.083 35.814 1.00 2.04 H new ATOM 1365 N ALA A 88 35.466 18.499 28.903 1.00 1.04 N ATOM 1366 CA ALA A 88 36.696 17.949 28.258 1.00 1.03 C ATOM 1367 C ALA A 88 37.575 19.107 27.755 1.00 1.05 C ATOM 1368 O ALA A 88 38.750 19.153 28.075 1.00 1.11 O ATOM 1369 CB ALA A 88 36.283 17.033 27.106 1.00 0.97 C ATOM 0 H ALA A 88 34.606 18.320 28.385 1.00 1.04 H new ATOM 0 HA ALA A 88 37.275 17.370 28.978 1.00 1.03 H new ATOM 0 HB1 ALA A 88 37.174 16.626 26.628 1.00 0.97 H new ATOM 0 HB2 ALA A 88 35.673 16.216 27.491 1.00 0.97 H new ATOM 0 HB3 ALA A 88 35.708 17.603 26.376 1.00 0.97 H new ATOM 1375 N ALA A 89 36.975 20.132 27.174 1.00 1.02 N ATOM 1376 CA ALA A 89 37.700 21.384 26.739 1.00 1.05 C ATOM 1377 C ALA A 89 38.257 22.204 27.907 1.00 1.14 C ATOM 1378 O ALA A 89 38.725 23.293 27.650 1.00 1.18 O ATOM 1379 CB ALA A 89 36.843 22.250 25.802 1.00 1.02 C ATOM 0 H ALA A 89 35.974 20.151 26.977 1.00 1.02 H new ATOM 0 HA ALA A 89 38.565 21.038 26.173 1.00 1.05 H new ATOM 0 HB1 ALA A 89 37.404 23.139 25.514 1.00 1.02 H new ATOM 0 HB2 ALA A 89 36.588 21.678 24.910 1.00 1.02 H new ATOM 0 HB3 ALA A 89 35.929 22.548 26.316 1.00 1.02 H new ATOM 1385 N GLU A 90 38.268 21.691 29.127 1.00 1.19 N ATOM 1386 CA GLU A 90 39.022 22.325 30.255 1.00 1.29 C ATOM 1387 C GLU A 90 40.478 21.818 30.293 1.00 1.35 C ATOM 1388 O GLU A 90 41.148 21.992 31.298 1.00 1.43 O ATOM 1389 CB GLU A 90 38.317 22.044 31.587 1.00 1.32 C ATOM 1390 CG GLU A 90 38.552 20.622 32.126 1.00 1.48 C ATOM 1391 CD GLU A 90 37.430 20.219 33.091 1.00 1.64 C ATOM 1392 OE1 GLU A 90 37.006 21.052 33.877 1.00 1.98 O ATOM 1393 OE2 GLU A 90 37.048 19.061 33.062 1.00 2.29 O ATOM 0 H GLU A 90 37.771 20.839 29.385 1.00 1.19 H new ATOM 0 HA GLU A 90 39.044 23.403 30.093 1.00 1.29 H new ATOM 0 HB2 GLU A 90 38.661 22.765 32.329 1.00 1.32 H new ATOM 0 HB3 GLU A 90 37.246 22.202 31.461 1.00 1.32 H new ATOM 0 HG2 GLU A 90 38.597 19.916 31.297 1.00 1.48 H new ATOM 0 HG3 GLU A 90 39.513 20.575 32.637 1.00 1.48 H new ATOM 1400 N GLY A 91 40.904 21.106 29.271 1.00 1.36 N ATOM 1401 CA GLY A 91 42.247 20.448 29.269 1.00 1.46 C ATOM 1402 C GLY A 91 43.249 21.087 28.295 1.00 1.44 C ATOM 1403 O GLY A 91 44.282 21.556 28.733 1.00 1.53 O ATOM 0 H GLY A 91 40.361 20.953 28.421 1.00 1.36 H new ATOM 0 HA2 GLY A 91 42.661 20.484 30.277 1.00 1.46 H new ATOM 0 HA3 GLY A 91 42.125 19.396 29.012 1.00 1.46 H new ATOM 1407 N LEU A 92 43.067 20.849 27.012 1.00 1.37 N ATOM 1408 CA LEU A 92 44.109 21.192 25.976 1.00 1.40 C ATOM 1409 C LEU A 92 43.741 22.338 25.018 1.00 1.45 C ATOM 1410 O LEU A 92 44.586 23.163 24.714 1.00 1.59 O ATOM 1411 CB LEU A 92 44.468 19.946 25.166 1.00 1.34 C ATOM 1412 CG LEU A 92 44.844 18.816 26.130 1.00 1.32 C ATOM 1413 CD1 LEU A 92 45.014 17.498 25.368 1.00 2.02 C ATOM 1414 CD2 LEU A 92 46.149 19.183 26.844 1.00 1.91 C ATOM 0 H LEU A 92 42.223 20.423 26.630 1.00 1.37 H new ATOM 0 HA LEU A 92 44.962 21.557 26.548 1.00 1.40 H new ATOM 0 HB2 LEU A 92 43.625 19.645 24.544 1.00 1.34 H new ATOM 0 HB3 LEU A 92 45.299 20.160 24.494 1.00 1.34 H new ATOM 0 HG LEU A 92 44.048 18.687 26.863 1.00 1.32 H new ATOM 0 HD11 LEU A 92 45.281 16.705 26.067 1.00 2.02 H new ATOM 0 HD12 LEU A 92 44.079 17.243 24.870 1.00 2.02 H new ATOM 0 HD13 LEU A 92 45.803 17.607 24.624 1.00 2.02 H new ATOM 0 HD21 LEU A 92 46.424 18.384 27.532 1.00 1.91 H new ATOM 0 HD22 LEU A 92 46.941 19.317 26.108 1.00 1.91 H new ATOM 0 HD23 LEU A 92 46.011 20.110 27.401 1.00 1.91 H new ATOM 1426 N LYS A 93 42.484 22.456 24.654 1.00 1.35 N ATOM 1427 CA LYS A 93 41.978 23.600 23.857 1.00 1.44 C ATOM 1428 C LYS A 93 41.773 24.672 24.911 1.00 1.41 C ATOM 1429 O LYS A 93 42.270 25.766 24.752 1.00 1.46 O ATOM 1430 CB LYS A 93 40.656 23.222 23.185 1.00 1.42 C ATOM 1431 CG LYS A 93 40.042 24.440 22.492 1.00 1.43 C ATOM 1432 CD LYS A 93 40.647 24.613 21.093 1.00 1.64 C ATOM 1433 CE LYS A 93 41.044 26.074 20.866 1.00 1.80 C ATOM 1434 NZ LYS A 93 39.819 26.899 20.666 1.00 1.97 N ATOM 0 H LYS A 93 41.766 21.772 24.892 1.00 1.35 H new ATOM 0 HA LYS A 93 42.644 23.916 23.054 1.00 1.44 H new ATOM 0 HB2 LYS A 93 40.825 22.428 22.457 1.00 1.42 H new ATOM 0 HB3 LYS A 93 39.962 22.830 23.929 1.00 1.42 H new ATOM 0 HG2 LYS A 93 38.961 24.319 22.417 1.00 1.43 H new ATOM 0 HG3 LYS A 93 40.221 25.335 23.087 1.00 1.43 H new ATOM 0 HD2 LYS A 93 41.520 23.970 20.984 1.00 1.64 H new ATOM 0 HD3 LYS A 93 39.927 24.302 20.336 1.00 1.64 H new ATOM 0 HE2 LYS A 93 41.609 26.445 21.721 1.00 1.80 H new ATOM 0 HE3 LYS A 93 41.695 26.154 19.995 1.00 1.80 H new ATOM 0 HZ1 LYS A 93 39.760 27.197 19.671 1.00 1.97 H new ATOM 0 HZ2 LYS A 93 38.978 26.337 20.909 1.00 1.97 H new ATOM 0 HZ3 LYS A 93 39.863 27.739 21.277 1.00 1.97 H new ATOM 1448 N TYR A 94 41.297 24.241 26.072 1.00 1.35 N ATOM 1449 CA TYR A 94 41.331 25.025 27.329 1.00 1.33 C ATOM 1450 C TYR A 94 42.564 25.947 27.361 1.00 1.44 C ATOM 1451 O TYR A 94 42.549 26.881 28.122 1.00 1.46 O ATOM 1452 CB TYR A 94 41.416 24.057 28.536 1.00 1.32 C ATOM 1453 CG TYR A 94 41.856 24.816 29.763 1.00 1.35 C ATOM 1454 CD1 TYR A 94 41.042 25.873 30.144 1.00 1.31 C ATOM 1455 CD2 TYR A 94 43.238 24.912 29.904 1.00 1.46 C ATOM 1456 CE1 TYR A 94 41.583 27.050 30.651 1.00 1.36 C ATOM 1457 CE2 TYR A 94 43.802 26.090 30.420 1.00 1.51 C ATOM 1458 CZ TYR A 94 42.977 27.162 30.777 1.00 1.45 C ATOM 1459 OH TYR A 94 43.568 28.329 31.213 1.00 1.53 O ATOM 0 H TYR A 94 40.866 23.323 26.183 1.00 1.35 H new ATOM 0 HA TYR A 94 40.425 25.629 27.382 1.00 1.33 H new ATOM 0 HB2 TYR A 94 40.446 23.593 28.712 1.00 1.32 H new ATOM 0 HB3 TYR A 94 42.120 23.253 28.321 1.00 1.32 H new ATOM 0 HD1 TYR A 94 39.971 25.780 30.045 1.00 1.31 H new ATOM 0 HD2 TYR A 94 43.872 24.086 29.618 1.00 1.46 H new ATOM 0 HE1 TYR A 94 40.940 27.867 30.944 1.00 1.36 H new ATOM 0 HE2 TYR A 94 44.872 26.168 30.541 1.00 1.51 H new ATOM 0 HH TYR A 94 44.541 28.214 31.236 1.00 1.53 H new ATOM 1469 N GLU A 95 43.693 25.419 26.929 1.00 1.56 N ATOM 1470 CA GLU A 95 45.033 26.049 27.209 1.00 1.68 C ATOM 1471 C GLU A 95 45.413 27.101 26.169 1.00 1.73 C ATOM 1472 O GLU A 95 45.863 28.176 26.530 1.00 1.80 O ATOM 1473 CB GLU A 95 46.160 25.010 27.173 1.00 1.80 C ATOM 1474 CG GLU A 95 45.828 23.824 28.070 1.00 1.83 C ATOM 1475 CD GLU A 95 46.909 22.748 27.950 1.00 2.14 C ATOM 1476 OE1 GLU A 95 47.132 22.277 26.847 1.00 2.41 O ATOM 1477 OE2 GLU A 95 47.486 22.405 28.969 1.00 2.60 O ATOM 0 H GLU A 95 43.742 24.559 26.382 1.00 1.56 H new ATOM 0 HA GLU A 95 44.928 26.500 28.196 1.00 1.68 H new ATOM 0 HB2 GLU A 95 46.312 24.667 26.150 1.00 1.80 H new ATOM 0 HB3 GLU A 95 47.094 25.468 27.498 1.00 1.80 H new ATOM 0 HG2 GLU A 95 45.747 24.154 29.106 1.00 1.83 H new ATOM 0 HG3 GLU A 95 44.859 23.409 27.792 1.00 1.83 H new ATOM 1484 N ASP A 96 45.424 26.704 24.917 1.00 1.71 N ATOM 1485 CA ASP A 96 46.018 27.564 23.845 1.00 1.79 C ATOM 1486 C ASP A 96 45.014 28.441 23.114 1.00 1.71 C ATOM 1487 O ASP A 96 45.403 29.455 22.562 1.00 1.79 O ATOM 1488 CB ASP A 96 46.727 26.682 22.830 1.00 1.87 C ATOM 1489 CG ASP A 96 48.193 26.490 23.224 1.00 2.10 C ATOM 1490 OD1 ASP A 96 48.979 27.385 22.957 1.00 2.27 O ATOM 1491 OD2 ASP A 96 48.505 25.452 23.784 1.00 2.62 O ATOM 0 H ASP A 96 45.044 25.815 24.591 1.00 1.71 H new ATOM 0 HA ASP A 96 46.708 28.239 24.350 1.00 1.79 H new ATOM 0 HB2 ASP A 96 46.230 25.714 22.770 1.00 1.87 H new ATOM 0 HB3 ASP A 96 46.666 27.134 21.840 1.00 1.87 H new ATOM 1496 N PHE A 97 43.759 28.229 23.397 1.00 1.58 N ATOM 1497 CA PHE A 97 42.705 29.268 23.174 1.00 1.52 C ATOM 1498 C PHE A 97 43.227 30.649 23.711 1.00 1.59 C ATOM 1499 O PHE A 97 42.723 31.699 23.364 1.00 1.60 O ATOM 1500 CB PHE A 97 41.480 28.718 23.956 1.00 1.42 C ATOM 1501 CG PHE A 97 41.610 29.157 25.393 1.00 1.49 C ATOM 1502 CD1 PHE A 97 42.668 28.592 26.090 1.00 1.57 C ATOM 1503 CD2 PHE A 97 41.154 30.414 25.775 1.00 1.51 C ATOM 1504 CE1 PHE A 97 43.224 29.220 27.208 1.00 1.66 C ATOM 1505 CE2 PHE A 97 41.704 31.053 26.888 1.00 1.59 C ATOM 1506 CZ PHE A 97 42.723 30.447 27.628 1.00 1.66 C ATOM 0 H PHE A 97 43.407 27.354 23.785 1.00 1.58 H new ATOM 0 HA PHE A 97 42.445 29.445 22.131 1.00 1.52 H new ATOM 0 HB2 PHE A 97 40.552 29.094 23.525 1.00 1.42 H new ATOM 0 HB3 PHE A 97 41.443 27.631 23.891 1.00 1.42 H new ATOM 0 HD1 PHE A 97 43.071 27.646 25.761 1.00 1.57 H new ATOM 0 HD2 PHE A 97 40.372 30.898 25.209 1.00 1.51 H new ATOM 0 HE1 PHE A 97 44.039 28.755 27.743 1.00 1.66 H new ATOM 0 HE2 PHE A 97 41.338 32.026 27.180 1.00 1.59 H new ATOM 0 HZ PHE A 97 43.116 30.925 28.513 1.00 1.66 H new ATOM 1516 N ALA A 98 44.085 30.583 24.724 1.00 1.65 N ATOM 1517 CA ALA A 98 44.537 31.742 25.550 1.00 1.72 C ATOM 1518 C ALA A 98 45.086 32.863 24.671 1.00 1.85 C ATOM 1519 O ALA A 98 45.092 34.016 25.065 1.00 1.93 O ATOM 1520 CB ALA A 98 45.632 31.247 26.499 1.00 1.95 C ATOM 0 H ALA A 98 44.509 29.703 25.017 1.00 1.65 H new ATOM 0 HA ALA A 98 43.691 32.142 26.108 1.00 1.72 H new ATOM 0 HB1 ALA A 98 45.981 32.075 27.116 1.00 1.95 H new ATOM 0 HB2 ALA A 98 45.231 30.462 27.140 1.00 1.95 H new ATOM 0 HB3 ALA A 98 46.465 30.851 25.918 1.00 1.95 H new ATOM 1526 N LYS A 99 45.594 32.492 23.522 1.00 1.99 N ATOM 1527 CA LYS A 99 46.230 33.464 22.583 1.00 2.18 C ATOM 1528 C LYS A 99 45.630 33.290 21.187 1.00 2.43 C ATOM 1529 O LYS A 99 45.029 34.233 20.701 1.00 2.79 O ATOM 1530 CB LYS A 99 47.736 33.192 22.538 1.00 2.57 C ATOM 1531 CG LYS A 99 48.450 34.319 21.787 1.00 2.75 C ATOM 1532 CD LYS A 99 49.843 34.524 22.391 1.00 3.16 C ATOM 1533 CE LYS A 99 50.627 35.557 21.577 1.00 3.65 C ATOM 1534 NZ LYS A 99 51.987 35.024 21.282 1.00 4.27 N ATOM 1535 OXT LYS A 99 45.771 32.212 20.633 1.00 2.85 O ATOM 0 H LYS A 99 45.593 31.528 23.188 1.00 1.99 H new ATOM 0 HA LYS A 99 46.051 34.484 22.922 1.00 2.18 H new ATOM 0 HB2 LYS A 99 48.130 33.113 23.551 1.00 2.57 H new ATOM 0 HB3 LYS A 99 47.927 32.238 22.046 1.00 2.57 H new ATOM 0 HG2 LYS A 99 48.532 34.072 20.729 1.00 2.75 H new ATOM 0 HG3 LYS A 99 47.872 35.241 21.855 1.00 2.75 H new ATOM 0 HD2 LYS A 99 49.753 34.857 23.425 1.00 3.16 H new ATOM 0 HD3 LYS A 99 50.383 33.577 22.407 1.00 3.16 H new ATOM 0 HE2 LYS A 99 50.102 35.779 20.648 1.00 3.65 H new ATOM 0 HE3 LYS A 99 50.703 36.492 22.132 1.00 3.65 H new ATOM 0 HZ1 LYS A 99 52.522 35.724 20.729 1.00 4.27 H new ATOM 0 HZ2 LYS A 99 52.486 34.833 22.174 1.00 4.27 H new ATOM 0 HZ3 LYS A 99 51.904 34.142 20.737 1.00 4.27 H new TER 1549 LYS A 99 ATOM 1550 N MET B 1 13.833 13.858 26.228 1.00 1.83 N ATOM 1551 CA MET B 1 14.588 15.141 26.297 1.00 1.25 C ATOM 1552 C MET B 1 16.078 14.873 26.077 1.00 1.16 C ATOM 1553 O MET B 1 16.747 15.630 25.394 1.00 1.47 O ATOM 1554 CB MET B 1 14.380 15.780 27.672 1.00 1.45 C ATOM 1555 CG MET B 1 12.882 15.952 27.932 1.00 1.99 C ATOM 1556 SD MET B 1 12.628 17.258 29.160 1.00 2.81 S ATOM 1557 CE MET B 1 12.424 18.627 27.995 1.00 3.19 C ATOM 0 H1 MET B 1 12.827 14.056 26.054 1.00 1.83 H new ATOM 0 H2 MET B 1 14.210 13.275 25.454 1.00 1.83 H new ATOM 0 H3 MET B 1 13.935 13.346 27.128 1.00 1.83 H new ATOM 0 HA MET B 1 14.226 15.817 25.523 1.00 1.25 H new ATOM 0 HB2 MET B 1 14.825 15.155 28.446 1.00 1.45 H new ATOM 0 HB3 MET B 1 14.881 16.747 27.715 1.00 1.45 H new ATOM 0 HG2 MET B 1 12.368 16.205 27.005 1.00 1.99 H new ATOM 0 HG3 MET B 1 12.454 15.015 28.288 1.00 1.99 H new ATOM 0 HE1 MET B 1 12.252 19.551 28.546 1.00 3.19 H new ATOM 0 HE2 MET B 1 13.325 18.727 27.390 1.00 3.19 H new ATOM 0 HE3 MET B 1 11.571 18.428 27.346 1.00 3.19 H new ATOM 1569 N ASN B 2 16.576 13.805 26.659 1.00 1.11 N ATOM 1570 CA ASN B 2 18.017 13.428 26.525 1.00 1.04 C ATOM 1571 C ASN B 2 18.128 11.912 26.305 1.00 0.99 C ATOM 1572 O ASN B 2 18.203 11.466 25.169 1.00 0.96 O ATOM 1573 CB ASN B 2 18.774 13.856 27.787 1.00 1.11 C ATOM 1574 CG ASN B 2 18.976 15.373 27.776 1.00 1.24 C ATOM 1575 OD1 ASN B 2 20.052 15.852 27.479 1.00 1.59 O ATOM 1576 ND2 ASN B 2 17.980 16.154 28.094 1.00 1.62 N ATOM 0 H ASN B 2 16.028 13.166 27.234 1.00 1.11 H new ATOM 0 HA ASN B 2 18.459 13.935 25.668 1.00 1.04 H new ATOM 0 HB2 ASN B 2 18.216 13.560 28.676 1.00 1.11 H new ATOM 0 HB3 ASN B 2 19.739 13.351 27.833 1.00 1.11 H new ATOM 0 HD21 ASN B 2 18.105 17.166 28.093 1.00 1.62 H new ATOM 0 HD22 ASN B 2 17.076 15.752 28.343 1.00 1.62 H new ATOM 1583 N LYS B 3 18.123 11.136 27.372 1.00 1.02 N ATOM 1584 CA LYS B 3 18.260 9.650 27.266 1.00 1.03 C ATOM 1585 C LYS B 3 17.044 9.065 26.544 1.00 1.04 C ATOM 1586 O LYS B 3 17.197 8.172 25.731 1.00 1.09 O ATOM 1587 CB LYS B 3 18.406 9.020 28.656 1.00 1.14 C ATOM 1588 CG LYS B 3 17.288 9.491 29.589 1.00 1.38 C ATOM 1589 CD LYS B 3 17.268 8.603 30.836 1.00 1.51 C ATOM 1590 CE LYS B 3 16.812 9.418 32.048 1.00 1.81 C ATOM 1591 NZ LYS B 3 18.003 9.881 32.814 1.00 2.06 N ATOM 0 H LYS B 3 18.028 11.482 28.327 1.00 1.02 H new ATOM 0 HA LYS B 3 19.158 9.423 26.692 1.00 1.03 H new ATOM 0 HB2 LYS B 3 18.381 7.934 28.572 1.00 1.14 H new ATOM 0 HB3 LYS B 3 19.375 9.285 29.080 1.00 1.14 H new ATOM 0 HG2 LYS B 3 17.447 10.532 29.871 1.00 1.38 H new ATOM 0 HG3 LYS B 3 16.327 9.443 29.078 1.00 1.38 H new ATOM 0 HD2 LYS B 3 16.596 7.759 30.681 1.00 1.51 H new ATOM 0 HD3 LYS B 3 18.261 8.192 31.016 1.00 1.51 H new ATOM 0 HE2 LYS B 3 16.221 10.274 31.722 1.00 1.81 H new ATOM 0 HE3 LYS B 3 16.169 8.811 32.686 1.00 1.81 H new ATOM 0 HZ1 LYS B 3 17.692 10.435 33.638 1.00 2.06 H new ATOM 0 HZ2 LYS B 3 18.550 9.057 33.137 1.00 2.06 H new ATOM 0 HZ3 LYS B 3 18.600 10.474 32.203 1.00 2.06 H new ATOM 1605 N THR B 4 15.872 9.603 26.791 1.00 1.07 N ATOM 1606 CA THR B 4 14.638 9.137 26.085 1.00 1.12 C ATOM 1607 C THR B 4 14.792 9.435 24.593 1.00 1.04 C ATOM 1608 O THR B 4 14.539 8.590 23.751 1.00 1.03 O ATOM 1609 CB THR B 4 13.419 9.889 26.628 1.00 1.24 C ATOM 1610 OG1 THR B 4 13.347 9.717 28.036 1.00 1.35 O ATOM 1611 CG2 THR B 4 12.141 9.348 25.982 1.00 1.37 C ATOM 0 H THR B 4 15.718 10.356 27.462 1.00 1.07 H new ATOM 0 HA THR B 4 14.499 8.068 26.245 1.00 1.12 H new ATOM 0 HB THR B 4 13.518 10.949 26.392 1.00 1.24 H new ATOM 0 HG1 THR B 4 12.568 10.199 28.385 1.00 1.35 H new ATOM 0 HG21 THR B 4 11.279 9.888 26.373 1.00 1.37 H new ATOM 0 HG22 THR B 4 12.194 9.483 24.902 1.00 1.37 H new ATOM 0 HG23 THR B 4 12.039 8.287 26.210 1.00 1.37 H new ATOM 1619 N GLU B 5 15.182 10.651 24.297 1.00 1.00 N ATOM 1620 CA GLU B 5 15.308 11.148 22.900 1.00 0.95 C ATOM 1621 C GLU B 5 16.098 10.185 22.011 1.00 0.92 C ATOM 1622 O GLU B 5 15.604 9.827 20.955 1.00 0.93 O ATOM 1623 CB GLU B 5 16.012 12.508 22.946 1.00 0.92 C ATOM 1624 CG GLU B 5 16.092 13.112 21.542 1.00 0.90 C ATOM 1625 CD GLU B 5 16.172 14.636 21.644 1.00 1.33 C ATOM 1626 OE1 GLU B 5 15.210 15.232 22.102 1.00 1.87 O ATOM 1627 OE2 GLU B 5 17.197 15.181 21.269 1.00 1.93 O ATOM 0 H GLU B 5 15.428 11.345 25.003 1.00 1.00 H new ATOM 0 HA GLU B 5 14.312 11.233 22.466 1.00 0.95 H new ATOM 0 HB2 GLU B 5 15.471 13.183 23.609 1.00 0.92 H new ATOM 0 HB3 GLU B 5 17.015 12.392 23.357 1.00 0.92 H new ATOM 0 HG2 GLU B 5 16.966 12.726 21.018 1.00 0.90 H new ATOM 0 HG3 GLU B 5 15.218 12.822 20.960 1.00 0.90 H new ATOM 1634 N LEU B 6 17.357 9.954 22.324 1.00 0.90 N ATOM 1635 CA LEU B 6 18.261 9.271 21.361 1.00 0.88 C ATOM 1636 C LEU B 6 18.440 7.783 21.706 1.00 0.93 C ATOM 1637 O LEU B 6 18.655 7.015 20.789 1.00 0.94 O ATOM 1638 CB LEU B 6 19.530 10.142 21.265 1.00 0.88 C ATOM 1639 CG LEU B 6 20.822 9.340 21.285 1.00 0.88 C ATOM 1640 CD1 LEU B 6 21.014 8.670 19.922 1.00 0.87 C ATOM 1641 CD2 LEU B 6 21.996 10.274 21.576 1.00 0.89 C ATOM 0 H LEU B 6 17.790 10.214 23.210 1.00 0.90 H new ATOM 0 HA LEU B 6 17.849 9.201 20.354 1.00 0.88 H new ATOM 0 HB2 LEU B 6 19.490 10.728 20.347 1.00 0.88 H new ATOM 0 HB3 LEU B 6 19.538 10.850 22.094 1.00 0.88 H new ATOM 0 HG LEU B 6 20.774 8.577 22.062 1.00 0.88 H new ATOM 0 HD11 LEU B 6 21.938 8.093 19.927 1.00 0.87 H new ATOM 0 HD12 LEU B 6 20.173 8.006 19.721 1.00 0.87 H new ATOM 0 HD13 LEU B 6 21.068 9.433 19.146 1.00 0.87 H new ATOM 0 HD21 LEU B 6 22.923 9.700 21.591 1.00 0.89 H new ATOM 0 HD22 LEU B 6 22.054 11.038 20.800 1.00 0.89 H new ATOM 0 HD23 LEU B 6 21.850 10.751 22.545 1.00 0.89 H new ATOM 1653 N ILE B 7 18.244 7.346 22.936 1.00 0.98 N ATOM 1654 CA ILE B 7 18.267 5.873 23.217 1.00 1.03 C ATOM 1655 C ILE B 7 17.067 5.269 22.446 1.00 1.05 C ATOM 1656 O ILE B 7 17.248 4.410 21.598 1.00 1.08 O ATOM 1657 CB ILE B 7 18.318 5.615 24.747 1.00 1.11 C ATOM 1658 CG1 ILE B 7 19.443 4.640 25.093 1.00 1.18 C ATOM 1659 CG2 ILE B 7 17.008 5.080 25.341 1.00 1.18 C ATOM 1660 CD1 ILE B 7 19.891 4.866 26.541 1.00 1.39 C ATOM 0 H ILE B 7 18.071 7.941 23.746 1.00 0.98 H new ATOM 0 HA ILE B 7 19.165 5.368 22.861 1.00 1.03 H new ATOM 0 HB ILE B 7 18.497 6.594 25.191 1.00 1.11 H new ATOM 0 HG12 ILE B 7 19.101 3.613 24.963 1.00 1.18 H new ATOM 0 HG13 ILE B 7 20.284 4.784 24.415 1.00 1.18 H new ATOM 0 HG21 ILE B 7 17.130 4.927 26.413 1.00 1.18 H new ATOM 0 HG22 ILE B 7 16.208 5.800 25.166 1.00 1.18 H new ATOM 0 HG23 ILE B 7 16.754 4.132 24.866 1.00 1.18 H new ATOM 0 HD11 ILE B 7 20.693 4.170 26.786 1.00 1.39 H new ATOM 0 HD12 ILE B 7 20.250 5.889 26.655 1.00 1.39 H new ATOM 0 HD13 ILE B 7 19.049 4.700 27.213 1.00 1.39 H new ATOM 1672 N LYS B 8 15.915 5.902 22.536 1.00 1.07 N ATOM 1673 CA LYS B 8 14.738 5.509 21.692 1.00 1.11 C ATOM 1674 C LYS B 8 15.053 5.710 20.202 1.00 1.06 C ATOM 1675 O LYS B 8 15.031 4.766 19.423 1.00 1.10 O ATOM 1676 CB LYS B 8 13.528 6.369 22.064 1.00 1.18 C ATOM 1677 CG LYS B 8 12.243 5.690 21.576 1.00 1.42 C ATOM 1678 CD LYS B 8 11.291 6.738 20.991 1.00 1.63 C ATOM 1679 CE LYS B 8 10.019 6.066 20.465 1.00 1.69 C ATOM 1680 NZ LYS B 8 8.840 6.593 21.208 1.00 2.12 N ATOM 0 H LYS B 8 15.741 6.684 23.167 1.00 1.07 H new ATOM 0 HA LYS B 8 14.519 4.457 21.873 1.00 1.11 H new ATOM 0 HB2 LYS B 8 13.488 6.511 23.144 1.00 1.18 H new ATOM 0 HB3 LYS B 8 13.621 7.358 21.616 1.00 1.18 H new ATOM 0 HG2 LYS B 8 12.481 4.940 20.821 1.00 1.42 H new ATOM 0 HG3 LYS B 8 11.760 5.168 22.402 1.00 1.42 H new ATOM 0 HD2 LYS B 8 11.034 7.472 21.755 1.00 1.63 H new ATOM 0 HD3 LYS B 8 11.786 7.278 20.184 1.00 1.63 H new ATOM 0 HE2 LYS B 8 9.907 6.259 19.398 1.00 1.69 H new ATOM 0 HE3 LYS B 8 10.087 4.985 20.588 1.00 1.69 H new ATOM 0 HZ1 LYS B 8 7.974 6.139 20.853 1.00 2.12 H new ATOM 0 HZ2 LYS B 8 8.948 6.387 22.222 1.00 2.12 H new ATOM 0 HZ3 LYS B 8 8.773 7.621 21.069 1.00 2.12 H new ATOM 1694 N ALA B 9 15.278 6.946 19.808 1.00 0.99 N ATOM 1695 CA ALA B 9 15.479 7.308 18.364 1.00 0.97 C ATOM 1696 C ALA B 9 16.430 6.341 17.657 1.00 0.99 C ATOM 1697 O ALA B 9 16.053 5.718 16.681 1.00 1.17 O ATOM 1698 CB ALA B 9 16.042 8.726 18.245 1.00 0.92 C ATOM 0 H ALA B 9 15.332 7.740 20.446 1.00 0.99 H new ATOM 0 HA ALA B 9 14.503 7.247 17.883 1.00 0.97 H new ATOM 0 HB1 ALA B 9 16.183 8.975 17.193 1.00 0.92 H new ATOM 0 HB2 ALA B 9 15.345 9.433 18.695 1.00 0.92 H new ATOM 0 HB3 ALA B 9 17.000 8.782 18.762 1.00 0.92 H new ATOM 1704 N ILE B 10 17.674 6.349 18.065 1.00 0.97 N ATOM 1705 CA ILE B 10 18.732 5.559 17.374 1.00 1.01 C ATOM 1706 C ILE B 10 18.491 4.052 17.527 1.00 0.99 C ATOM 1707 O ILE B 10 18.890 3.301 16.651 1.00 0.97 O ATOM 1708 CB ILE B 10 20.118 5.994 17.867 1.00 1.14 C ATOM 1709 CG1 ILE B 10 21.152 5.527 16.841 1.00 0.89 C ATOM 1710 CG2 ILE B 10 20.456 5.440 19.260 1.00 2.11 C ATOM 1711 CD1 ILE B 10 21.049 6.395 15.584 1.00 1.21 C ATOM 0 H ILE B 10 18.006 6.884 18.868 1.00 0.97 H new ATOM 0 HA ILE B 10 18.688 5.763 16.304 1.00 1.01 H new ATOM 0 HB ILE B 10 20.127 7.080 17.965 1.00 1.14 H new ATOM 0 HG12 ILE B 10 22.155 5.595 17.262 1.00 0.89 H new ATOM 0 HG13 ILE B 10 20.983 4.480 16.588 1.00 0.89 H new ATOM 0 HG21 ILE B 10 21.448 5.781 19.556 1.00 2.11 H new ATOM 0 HG22 ILE B 10 19.720 5.795 19.981 1.00 2.11 H new ATOM 0 HG23 ILE B 10 20.440 4.350 19.232 1.00 2.11 H new ATOM 0 HD11 ILE B 10 21.785 6.064 14.852 1.00 1.21 H new ATOM 0 HD12 ILE B 10 20.049 6.304 15.160 1.00 1.21 H new ATOM 0 HD13 ILE B 10 21.239 7.436 15.844 1.00 1.21 H new ATOM 1723 N ALA B 11 17.798 3.630 18.569 1.00 1.02 N ATOM 1724 CA ALA B 11 17.438 2.176 18.695 1.00 1.04 C ATOM 1725 C ALA B 11 16.515 1.768 17.557 1.00 1.05 C ATOM 1726 O ALA B 11 16.535 0.619 17.147 1.00 1.08 O ATOM 1727 CB ALA B 11 16.848 1.814 20.049 1.00 1.11 C ATOM 0 H ALA B 11 17.470 4.226 19.329 1.00 1.02 H new ATOM 0 HA ALA B 11 18.366 1.609 18.623 1.00 1.04 H new ATOM 0 HB1 ALA B 11 16.611 0.750 20.070 1.00 1.11 H new ATOM 0 HB2 ALA B 11 17.570 2.041 20.833 1.00 1.11 H new ATOM 0 HB3 ALA B 11 15.939 2.391 20.216 1.00 1.11 H new ATOM 1733 N GLN B 12 15.805 2.715 16.992 1.00 1.05 N ATOM 1734 CA GLN B 12 14.964 2.438 15.789 1.00 1.10 C ATOM 1735 C GLN B 12 15.791 1.761 14.681 1.00 1.08 C ATOM 1736 O GLN B 12 15.293 0.861 14.026 1.00 1.15 O ATOM 1737 CB GLN B 12 14.369 3.747 15.266 1.00 1.12 C ATOM 1738 CG GLN B 12 13.490 4.371 16.352 1.00 1.16 C ATOM 1739 CD GLN B 12 12.784 5.609 15.794 1.00 1.57 C ATOM 1740 OE1 GLN B 12 13.258 6.716 15.954 1.00 2.04 O ATOM 1741 NE2 GLN B 12 11.656 5.470 15.153 1.00 2.18 N ATOM 0 H GLN B 12 15.774 3.681 17.319 1.00 1.05 H new ATOM 0 HA GLN B 12 14.161 1.760 16.078 1.00 1.10 H new ATOM 0 HB2 GLN B 12 15.166 4.436 14.986 1.00 1.12 H new ATOM 0 HB3 GLN B 12 13.780 3.559 14.368 1.00 1.12 H new ATOM 0 HG2 GLN B 12 12.754 3.646 16.699 1.00 1.16 H new ATOM 0 HG3 GLN B 12 14.099 4.645 17.214 1.00 1.16 H new ATOM 0 HE21 GLN B 12 11.257 4.541 15.018 1.00 2.18 H new ATOM 0 HE22 GLN B 12 11.173 6.290 14.787 1.00 2.18 H new ATOM 1750 N ASP B 13 17.031 2.172 14.490 1.00 1.07 N ATOM 1751 CA ASP B 13 17.912 1.559 13.437 1.00 1.08 C ATOM 1752 C ASP B 13 19.033 0.732 14.087 1.00 1.08 C ATOM 1753 O ASP B 13 18.826 -0.446 14.327 1.00 1.14 O ATOM 1754 CB ASP B 13 18.504 2.685 12.585 1.00 1.08 C ATOM 1755 CG ASP B 13 17.786 2.755 11.234 1.00 1.19 C ATOM 1756 OD1 ASP B 13 16.575 2.903 11.238 1.00 1.64 O ATOM 1757 OD2 ASP B 13 18.458 2.648 10.221 1.00 1.64 O ATOM 0 H ASP B 13 17.473 2.917 15.028 1.00 1.07 H new ATOM 0 HA ASP B 13 17.325 0.889 12.809 1.00 1.08 H new ATOM 0 HB2 ASP B 13 18.406 3.637 13.107 1.00 1.08 H new ATOM 0 HB3 ASP B 13 19.569 2.514 12.431 1.00 1.08 H new ATOM 1762 N THR B 14 20.098 1.369 14.546 1.00 1.05 N ATOM 1763 CA THR B 14 21.100 0.660 15.423 1.00 1.09 C ATOM 1764 C THR B 14 20.437 0.514 16.794 1.00 1.15 C ATOM 1765 O THR B 14 19.241 0.723 16.906 1.00 1.63 O ATOM 1766 CB THR B 14 22.401 1.464 15.595 1.00 1.09 C ATOM 1767 OG1 THR B 14 22.603 2.304 14.470 1.00 1.23 O ATOM 1768 CG2 THR B 14 23.595 0.508 15.752 1.00 1.16 C ATOM 0 H THR B 14 20.314 2.346 14.351 1.00 1.05 H new ATOM 0 HA THR B 14 21.368 -0.294 14.969 1.00 1.09 H new ATOM 0 HB THR B 14 22.319 2.080 16.491 1.00 1.09 H new ATOM 0 HG1 THR B 14 23.366 1.976 13.949 1.00 1.23 H new ATOM 0 HG21 THR B 14 24.511 1.087 15.873 1.00 1.16 H new ATOM 0 HG22 THR B 14 23.445 -0.121 16.629 1.00 1.16 H new ATOM 0 HG23 THR B 14 23.677 -0.120 14.865 1.00 1.16 H new ATOM 1776 N GLU B 15 21.188 0.195 17.831 1.00 1.06 N ATOM 1777 CA GLU B 15 20.657 0.260 19.229 1.00 1.07 C ATOM 1778 C GLU B 15 19.305 -0.464 19.377 1.00 1.13 C ATOM 1779 O GLU B 15 18.582 -0.230 20.318 1.00 1.39 O ATOM 1780 CB GLU B 15 20.568 1.768 19.509 1.00 1.05 C ATOM 1781 CG GLU B 15 21.915 2.522 19.449 1.00 1.06 C ATOM 1782 CD GLU B 15 23.166 1.653 19.274 1.00 1.62 C ATOM 1783 OE1 GLU B 15 23.361 0.747 20.062 1.00 2.22 O ATOM 1784 OE2 GLU B 15 23.895 1.913 18.334 1.00 2.28 O ATOM 0 H GLU B 15 22.158 -0.111 17.761 1.00 1.06 H new ATOM 0 HA GLU B 15 21.294 -0.254 19.949 1.00 1.07 H new ATOM 0 HB2 GLU B 15 19.885 2.217 18.788 1.00 1.05 H new ATOM 0 HB3 GLU B 15 20.130 1.914 20.497 1.00 1.05 H new ATOM 0 HG2 GLU B 15 21.873 3.234 18.625 1.00 1.06 H new ATOM 0 HG3 GLU B 15 22.025 3.102 20.366 1.00 1.06 H new ATOM 1791 N LEU B 16 18.991 -1.341 18.450 1.00 1.17 N ATOM 1792 CA LEU B 16 17.703 -2.097 18.352 1.00 1.23 C ATOM 1793 C LEU B 16 16.940 -2.245 19.673 1.00 1.29 C ATOM 1794 O LEU B 16 15.732 -2.088 19.706 1.00 1.55 O ATOM 1795 CB LEU B 16 18.021 -3.506 17.849 1.00 1.29 C ATOM 1796 CG LEU B 16 18.278 -3.469 16.342 1.00 1.34 C ATOM 1797 CD1 LEU B 16 19.000 -4.749 15.919 1.00 1.48 C ATOM 1798 CD2 LEU B 16 16.943 -3.371 15.602 1.00 1.55 C ATOM 0 H LEU B 16 19.637 -1.578 17.697 1.00 1.17 H new ATOM 0 HA LEU B 16 17.064 -1.523 17.682 1.00 1.23 H new ATOM 0 HB2 LEU B 16 18.896 -3.899 18.367 1.00 1.29 H new ATOM 0 HB3 LEU B 16 17.191 -4.177 18.070 1.00 1.29 H new ATOM 0 HG LEU B 16 18.895 -2.604 16.098 1.00 1.34 H new ATOM 0 HD11 LEU B 16 19.184 -4.725 14.845 1.00 1.48 H new ATOM 0 HD12 LEU B 16 19.950 -4.823 16.449 1.00 1.48 H new ATOM 0 HD13 LEU B 16 18.381 -5.613 16.162 1.00 1.48 H new ATOM 0 HD21 LEU B 16 17.124 -3.344 14.527 1.00 1.55 H new ATOM 0 HD22 LEU B 16 16.328 -4.237 15.845 1.00 1.55 H new ATOM 0 HD23 LEU B 16 16.425 -2.461 15.905 1.00 1.55 H new ATOM 1810 N THR B 17 17.642 -2.627 20.716 1.00 1.27 N ATOM 1811 CA THR B 17 16.997 -2.915 22.033 1.00 1.34 C ATOM 1812 C THR B 17 17.841 -2.349 23.179 1.00 1.30 C ATOM 1813 O THR B 17 18.761 -1.583 22.959 1.00 1.36 O ATOM 1814 CB THR B 17 16.842 -4.431 22.195 1.00 1.49 C ATOM 1815 OG1 THR B 17 18.105 -5.059 22.031 1.00 1.70 O ATOM 1816 CG2 THR B 17 15.868 -4.960 21.140 1.00 1.83 C ATOM 0 H THR B 17 18.654 -2.753 20.706 1.00 1.27 H new ATOM 0 HA THR B 17 16.016 -2.440 22.063 1.00 1.34 H new ATOM 0 HB THR B 17 16.455 -4.651 23.190 1.00 1.49 H new ATOM 0 HG1 THR B 17 18.005 -6.028 22.137 1.00 1.70 H new ATOM 0 HG21 THR B 17 15.758 -6.038 21.255 1.00 1.83 H new ATOM 0 HG22 THR B 17 14.898 -4.480 21.268 1.00 1.83 H new ATOM 0 HG23 THR B 17 16.254 -4.739 20.145 1.00 1.83 H new ATOM 1824 N GLN B 18 17.441 -2.655 24.390 1.00 1.33 N ATOM 1825 CA GLN B 18 18.072 -2.090 25.621 1.00 1.36 C ATOM 1826 C GLN B 18 19.602 -2.170 25.595 1.00 1.31 C ATOM 1827 O GLN B 18 20.246 -1.217 25.988 1.00 1.30 O ATOM 1828 CB GLN B 18 17.553 -2.868 26.831 1.00 1.56 C ATOM 1829 CG GLN B 18 16.126 -2.417 27.145 1.00 1.99 C ATOM 1830 CD GLN B 18 15.695 -3.006 28.489 1.00 2.40 C ATOM 1831 OE1 GLN B 18 16.402 -2.888 29.470 1.00 3.11 O ATOM 1832 NE2 GLN B 18 14.561 -3.644 28.574 1.00 2.61 N ATOM 0 H GLN B 18 16.673 -3.299 24.580 1.00 1.33 H new ATOM 0 HA GLN B 18 17.806 -1.034 25.677 1.00 1.36 H new ATOM 0 HB2 GLN B 18 17.572 -3.938 26.625 1.00 1.56 H new ATOM 0 HB3 GLN B 18 18.199 -2.697 27.692 1.00 1.56 H new ATOM 0 HG2 GLN B 18 16.075 -1.329 27.179 1.00 1.99 H new ATOM 0 HG3 GLN B 18 15.447 -2.744 26.357 1.00 1.99 H new ATOM 0 HE21 GLN B 18 13.968 -3.742 27.750 1.00 2.61 H new ATOM 0 HE22 GLN B 18 14.267 -4.045 29.465 1.00 2.61 H new ATOM 1841 N VAL B 19 20.162 -3.324 25.297 1.00 1.40 N ATOM 1842 CA VAL B 19 21.642 -3.532 25.425 1.00 1.38 C ATOM 1843 C VAL B 19 22.416 -2.689 24.396 1.00 1.24 C ATOM 1844 O VAL B 19 23.251 -1.883 24.781 1.00 1.23 O ATOM 1845 CB VAL B 19 21.969 -5.030 25.314 1.00 1.50 C ATOM 1846 CG1 VAL B 19 21.492 -5.606 23.980 1.00 2.12 C ATOM 1847 CG2 VAL B 19 23.477 -5.258 25.452 1.00 1.88 C ATOM 0 H VAL B 19 19.647 -4.140 24.966 1.00 1.40 H new ATOM 0 HA VAL B 19 21.965 -3.189 26.408 1.00 1.38 H new ATOM 0 HB VAL B 19 21.445 -5.541 26.122 1.00 1.50 H new ATOM 0 HG11 VAL B 19 21.738 -6.667 23.933 1.00 2.12 H new ATOM 0 HG12 VAL B 19 20.413 -5.480 23.894 1.00 2.12 H new ATOM 0 HG13 VAL B 19 21.985 -5.082 23.161 1.00 2.12 H new ATOM 0 HG21 VAL B 19 23.693 -6.323 25.371 1.00 1.88 H new ATOM 0 HG22 VAL B 19 24.000 -4.721 24.661 1.00 1.88 H new ATOM 0 HG23 VAL B 19 23.813 -4.892 26.422 1.00 1.88 H new ATOM 1857 N SER B 20 22.107 -2.823 23.124 1.00 1.21 N ATOM 1858 CA SER B 20 22.786 -2.029 22.048 1.00 1.12 C ATOM 1859 C SER B 20 22.648 -0.535 22.356 1.00 1.04 C ATOM 1860 O SER B 20 23.639 0.169 22.466 1.00 1.02 O ATOM 1861 CB SER B 20 22.136 -2.366 20.706 1.00 1.16 C ATOM 1862 OG SER B 20 22.884 -1.766 19.658 1.00 1.53 O ATOM 0 H SER B 20 21.394 -3.467 22.780 1.00 1.21 H new ATOM 0 HA SER B 20 23.847 -2.276 22.003 1.00 1.12 H new ATOM 0 HB2 SER B 20 22.098 -3.447 20.569 1.00 1.16 H new ATOM 0 HB3 SER B 20 21.107 -2.006 20.686 1.00 1.16 H new ATOM 0 HG SER B 20 23.367 -0.987 20.005 1.00 1.53 H new ATOM 1868 N VAL B 21 21.429 -0.062 22.449 1.00 1.07 N ATOM 1869 CA VAL B 21 21.148 1.382 22.690 1.00 1.09 C ATOM 1870 C VAL B 21 21.917 1.953 23.886 1.00 1.04 C ATOM 1871 O VAL B 21 22.469 3.042 23.801 1.00 1.03 O ATOM 1872 CB VAL B 21 19.631 1.543 22.855 1.00 1.25 C ATOM 1873 CG1 VAL B 21 19.118 1.119 24.239 1.00 1.64 C ATOM 1874 CG2 VAL B 21 19.283 3.000 22.598 1.00 1.46 C ATOM 0 H VAL B 21 20.592 -0.639 22.364 1.00 1.07 H new ATOM 0 HA VAL B 21 21.499 1.960 21.835 1.00 1.09 H new ATOM 0 HB VAL B 21 19.143 0.881 22.139 1.00 1.25 H new ATOM 0 HG11 VAL B 21 18.038 1.259 24.285 1.00 1.64 H new ATOM 0 HG12 VAL B 21 19.355 0.069 24.409 1.00 1.64 H new ATOM 0 HG13 VAL B 21 19.596 1.728 25.006 1.00 1.64 H new ATOM 0 HG21 VAL B 21 18.208 3.142 22.709 1.00 1.46 H new ATOM 0 HG22 VAL B 21 19.809 3.631 23.314 1.00 1.46 H new ATOM 0 HG23 VAL B 21 19.582 3.273 21.586 1.00 1.46 H new ATOM 1884 N SER B 22 21.876 1.260 24.998 1.00 1.06 N ATOM 1885 CA SER B 22 22.495 1.775 26.260 1.00 1.07 C ATOM 1886 C SER B 22 23.989 2.007 26.016 1.00 1.01 C ATOM 1887 O SER B 22 24.514 3.045 26.393 1.00 0.98 O ATOM 1888 CB SER B 22 22.314 0.769 27.399 1.00 1.18 C ATOM 1889 OG SER B 22 22.195 1.468 28.630 1.00 1.55 O ATOM 0 H SER B 22 21.433 0.345 25.086 1.00 1.06 H new ATOM 0 HA SER B 22 22.008 2.708 26.543 1.00 1.07 H new ATOM 0 HB2 SER B 22 21.426 0.162 27.225 1.00 1.18 H new ATOM 0 HB3 SER B 22 23.164 0.087 27.436 1.00 1.18 H new ATOM 0 HG SER B 22 22.077 0.826 29.361 1.00 1.55 H new ATOM 1895 N LYS B 23 24.631 1.109 25.282 1.00 1.01 N ATOM 1896 CA LYS B 23 26.055 1.312 24.866 1.00 0.96 C ATOM 1897 C LYS B 23 26.185 2.675 24.181 1.00 0.87 C ATOM 1898 O LYS B 23 27.117 3.411 24.435 1.00 0.87 O ATOM 1899 CB LYS B 23 26.473 0.256 23.845 1.00 0.98 C ATOM 1900 CG LYS B 23 26.454 -1.142 24.454 1.00 1.13 C ATOM 1901 CD LYS B 23 27.029 -2.090 23.403 1.00 1.08 C ATOM 1902 CE LYS B 23 26.874 -3.544 23.853 1.00 1.30 C ATOM 1903 NZ LYS B 23 27.788 -4.408 23.053 1.00 1.60 N ATOM 0 H LYS B 23 24.215 0.237 24.955 1.00 1.01 H new ATOM 0 HA LYS B 23 26.683 1.245 25.754 1.00 0.96 H new ATOM 0 HB2 LYS B 23 25.801 0.290 22.987 1.00 0.98 H new ATOM 0 HB3 LYS B 23 27.474 0.480 23.475 1.00 0.98 H new ATOM 0 HG2 LYS B 23 27.047 -1.173 25.368 1.00 1.13 H new ATOM 0 HG3 LYS B 23 25.438 -1.433 24.722 1.00 1.13 H new ATOM 0 HD2 LYS B 23 26.518 -1.941 22.452 1.00 1.08 H new ATOM 0 HD3 LYS B 23 28.083 -1.864 23.238 1.00 1.08 H new ATOM 0 HE2 LYS B 23 27.106 -3.635 24.914 1.00 1.30 H new ATOM 0 HE3 LYS B 23 25.842 -3.869 23.723 1.00 1.30 H new ATOM 0 HZ1 LYS B 23 27.685 -5.397 23.357 1.00 1.60 H new ATOM 0 HZ2 LYS B 23 27.547 -4.328 22.045 1.00 1.60 H new ATOM 0 HZ3 LYS B 23 28.771 -4.102 23.199 1.00 1.60 H new ATOM 1917 N MET B 24 25.319 2.914 23.220 1.00 0.83 N ATOM 1918 CA MET B 24 25.377 4.139 22.359 1.00 0.75 C ATOM 1919 C MET B 24 25.499 5.407 23.206 1.00 0.77 C ATOM 1920 O MET B 24 26.358 6.232 22.950 1.00 0.75 O ATOM 1921 CB MET B 24 24.101 4.218 21.517 1.00 0.75 C ATOM 1922 CG MET B 24 24.426 4.799 20.138 1.00 0.79 C ATOM 1923 SD MET B 24 24.255 6.600 20.179 1.00 1.16 S ATOM 1924 CE MET B 24 25.176 6.952 18.661 1.00 1.07 C ATOM 0 H MET B 24 24.548 2.286 22.992 1.00 0.83 H new ATOM 0 HA MET B 24 26.256 4.069 21.718 1.00 0.75 H new ATOM 0 HB2 MET B 24 23.663 3.226 21.410 1.00 0.75 H new ATOM 0 HB3 MET B 24 23.361 4.841 22.019 1.00 0.75 H new ATOM 0 HG2 MET B 24 25.441 4.527 19.848 1.00 0.79 H new ATOM 0 HG3 MET B 24 23.757 4.377 19.388 1.00 0.79 H new ATOM 0 HE1 MET B 24 25.739 7.877 18.783 1.00 1.07 H new ATOM 0 HE2 MET B 24 25.865 6.133 18.455 1.00 1.07 H new ATOM 0 HE3 MET B 24 24.480 7.058 17.829 1.00 1.07 H new ATOM 1934 N LEU B 25 24.635 5.555 24.186 1.00 0.85 N ATOM 1935 CA LEU B 25 24.662 6.755 25.085 1.00 0.91 C ATOM 1936 C LEU B 25 26.036 6.854 25.762 1.00 0.92 C ATOM 1937 O LEU B 25 26.760 7.830 25.593 1.00 0.93 O ATOM 1938 CB LEU B 25 23.568 6.601 26.147 1.00 1.02 C ATOM 1939 CG LEU B 25 23.539 7.832 27.062 1.00 1.03 C ATOM 1940 CD1 LEU B 25 22.089 8.221 27.363 1.00 1.31 C ATOM 1941 CD2 LEU B 25 24.259 7.514 28.375 1.00 1.46 C ATOM 0 H LEU B 25 23.900 4.882 24.403 1.00 0.85 H new ATOM 0 HA LEU B 25 24.485 7.661 24.506 1.00 0.91 H new ATOM 0 HB2 LEU B 25 22.599 6.475 25.665 1.00 1.02 H new ATOM 0 HB3 LEU B 25 23.749 5.704 26.739 1.00 1.02 H new ATOM 0 HG LEU B 25 24.040 8.660 26.561 1.00 1.03 H new ATOM 0 HD11 LEU B 25 22.074 9.096 28.013 1.00 1.31 H new ATOM 0 HD12 LEU B 25 21.574 8.453 26.431 1.00 1.31 H new ATOM 0 HD13 LEU B 25 21.585 7.392 27.859 1.00 1.31 H new ATOM 0 HD21 LEU B 25 24.237 8.390 29.023 1.00 1.46 H new ATOM 0 HD22 LEU B 25 23.759 6.682 28.872 1.00 1.46 H new ATOM 0 HD23 LEU B 25 25.294 7.243 28.166 1.00 1.46 H new ATOM 1953 N ALA B 26 26.404 5.803 26.460 1.00 0.94 N ATOM 1954 CA ALA B 26 27.726 5.738 27.159 1.00 0.98 C ATOM 1955 C ALA B 26 28.895 5.755 26.163 1.00 0.92 C ATOM 1956 O ALA B 26 30.033 5.872 26.583 1.00 0.99 O ATOM 1957 CB ALA B 26 27.793 4.454 27.988 1.00 1.05 C ATOM 0 H ALA B 26 25.828 4.969 26.576 1.00 0.94 H new ATOM 0 HA ALA B 26 27.813 6.615 27.800 1.00 0.98 H new ATOM 0 HB1 ALA B 26 28.754 4.401 28.500 1.00 1.05 H new ATOM 0 HB2 ALA B 26 26.989 4.454 28.724 1.00 1.05 H new ATOM 0 HB3 ALA B 26 27.683 3.591 27.331 1.00 1.05 H new ATOM 1963 N SER B 27 28.630 5.616 24.879 1.00 0.84 N ATOM 1964 CA SER B 27 29.708 5.577 23.847 1.00 0.81 C ATOM 1965 C SER B 27 29.860 6.942 23.173 1.00 0.74 C ATOM 1966 O SER B 27 30.923 7.215 22.643 1.00 0.70 O ATOM 1967 CB SER B 27 29.368 4.525 22.793 1.00 0.84 C ATOM 1968 OG SER B 27 30.493 4.317 21.952 1.00 0.89 O ATOM 0 H SER B 27 27.687 5.526 24.502 1.00 0.84 H new ATOM 0 HA SER B 27 30.648 5.322 24.336 1.00 0.81 H new ATOM 0 HB2 SER B 27 29.083 3.590 23.276 1.00 0.84 H new ATOM 0 HB3 SER B 27 28.513 4.851 22.201 1.00 0.84 H new ATOM 0 HG SER B 27 30.276 3.641 21.277 1.00 0.89 H new ATOM 1974 N PHE B 28 28.848 7.790 23.229 1.00 0.77 N ATOM 1975 CA PHE B 28 28.983 9.173 22.672 1.00 0.71 C ATOM 1976 C PHE B 28 29.682 10.038 23.712 1.00 0.74 C ATOM 1977 O PHE B 28 30.499 10.867 23.355 1.00 0.70 O ATOM 1978 CB PHE B 28 27.651 9.817 22.301 1.00 0.73 C ATOM 1979 CG PHE B 28 27.940 11.084 21.518 1.00 0.68 C ATOM 1980 CD1 PHE B 28 28.236 12.283 22.185 1.00 1.16 C ATOM 1981 CD2 PHE B 28 27.844 11.077 20.120 1.00 1.48 C ATOM 1982 CE1 PHE B 28 28.395 13.469 21.458 1.00 1.22 C ATOM 1983 CE2 PHE B 28 28.028 12.258 19.394 1.00 1.46 C ATOM 1984 CZ PHE B 28 28.283 13.459 20.063 1.00 0.74 C ATOM 0 H PHE B 28 27.938 7.578 23.637 1.00 0.77 H new ATOM 0 HA PHE B 28 29.557 9.097 21.748 1.00 0.71 H new ATOM 0 HB2 PHE B 28 27.050 9.131 21.705 1.00 0.73 H new ATOM 0 HB3 PHE B 28 27.077 10.047 23.198 1.00 0.73 H new ATOM 0 HD1 PHE B 28 28.341 12.291 23.260 1.00 1.16 H new ATOM 0 HD2 PHE B 28 27.627 10.155 19.601 1.00 1.48 H new ATOM 0 HE1 PHE B 28 28.605 14.394 21.975 1.00 1.22 H new ATOM 0 HE2 PHE B 28 27.973 12.242 18.316 1.00 1.46 H new ATOM 0 HZ PHE B 28 28.393 14.377 19.505 1.00 0.74 H new ATOM 1994 N GLU B 29 29.486 9.745 24.984 1.00 0.81 N ATOM 1995 CA GLU B 29 30.305 10.412 26.051 1.00 0.87 C ATOM 1996 C GLU B 29 31.791 10.186 25.724 1.00 0.84 C ATOM 1997 O GLU B 29 32.608 11.084 25.839 1.00 0.84 O ATOM 1998 CB GLU B 29 29.979 9.808 27.419 1.00 0.98 C ATOM 1999 CG GLU B 29 28.967 10.696 28.146 1.00 1.20 C ATOM 2000 CD GLU B 29 28.746 10.161 29.562 1.00 1.50 C ATOM 2001 OE1 GLU B 29 29.587 10.418 30.409 1.00 1.96 O ATOM 2002 OE2 GLU B 29 27.745 9.498 29.774 1.00 2.03 O ATOM 0 H GLU B 29 28.796 9.075 25.325 1.00 0.81 H new ATOM 0 HA GLU B 29 30.081 11.478 26.083 1.00 0.87 H new ATOM 0 HB2 GLU B 29 29.574 8.803 27.297 1.00 0.98 H new ATOM 0 HB3 GLU B 29 30.889 9.715 28.013 1.00 0.98 H new ATOM 0 HG2 GLU B 29 29.330 11.723 28.186 1.00 1.20 H new ATOM 0 HG3 GLU B 29 28.024 10.713 27.600 1.00 1.20 H new ATOM 2009 N LYS B 30 32.078 9.018 25.190 1.00 0.84 N ATOM 2010 CA LYS B 30 33.458 8.636 24.764 1.00 0.83 C ATOM 2011 C LYS B 30 33.793 9.172 23.366 1.00 0.74 C ATOM 2012 O LYS B 30 34.960 9.365 23.070 1.00 0.77 O ATOM 2013 CB LYS B 30 33.548 7.108 24.731 1.00 0.91 C ATOM 2014 CG LYS B 30 34.993 6.661 24.978 1.00 1.41 C ATOM 2015 CD LYS B 30 35.143 6.170 26.419 1.00 1.57 C ATOM 2016 CE LYS B 30 36.601 6.311 26.860 1.00 2.29 C ATOM 2017 NZ LYS B 30 36.666 6.327 28.349 1.00 3.02 N ATOM 0 H LYS B 30 31.382 8.290 25.028 1.00 0.84 H new ATOM 0 HA LYS B 30 34.166 9.066 25.473 1.00 0.83 H new ATOM 0 HB2 LYS B 30 32.892 6.681 25.489 1.00 0.91 H new ATOM 0 HB3 LYS B 30 33.204 6.736 23.766 1.00 0.91 H new ATOM 0 HG2 LYS B 30 35.261 5.865 24.283 1.00 1.41 H new ATOM 0 HG3 LYS B 30 35.677 7.490 24.793 1.00 1.41 H new ATOM 0 HD2 LYS B 30 34.495 6.746 27.080 1.00 1.57 H new ATOM 0 HD3 LYS B 30 34.829 5.129 26.494 1.00 1.57 H new ATOM 0 HE2 LYS B 30 37.193 5.484 26.468 1.00 2.29 H new ATOM 0 HE3 LYS B 30 37.028 7.229 26.456 1.00 2.29 H new ATOM 0 HZ1 LYS B 30 37.656 6.423 28.652 1.00 3.02 H new ATOM 0 HZ2 LYS B 30 36.114 7.130 28.712 1.00 3.02 H new ATOM 0 HZ3 LYS B 30 36.274 5.439 28.723 1.00 3.02 H new ATOM 2031 N ILE B 31 32.805 9.374 22.512 1.00 0.68 N ATOM 2032 CA ILE B 31 33.069 9.857 21.116 1.00 0.62 C ATOM 2033 C ILE B 31 33.731 11.224 21.205 1.00 0.61 C ATOM 2034 O ILE B 31 34.695 11.496 20.506 1.00 0.63 O ATOM 2035 CB ILE B 31 31.777 9.898 20.262 1.00 0.61 C ATOM 2036 CG1 ILE B 31 32.143 9.603 18.806 1.00 0.63 C ATOM 2037 CG2 ILE B 31 30.979 11.223 20.289 1.00 0.59 C ATOM 2038 CD1 ILE B 31 30.871 9.221 18.052 1.00 1.05 C ATOM 0 H ILE B 31 31.820 9.222 22.729 1.00 0.68 H new ATOM 0 HA ILE B 31 33.735 9.158 20.609 1.00 0.62 H new ATOM 0 HB ILE B 31 31.123 9.150 20.711 1.00 0.61 H new ATOM 0 HG12 ILE B 31 32.606 10.477 18.348 1.00 0.63 H new ATOM 0 HG13 ILE B 31 32.871 8.793 18.755 1.00 0.63 H new ATOM 0 HG21 ILE B 31 30.098 11.130 19.655 1.00 0.59 H new ATOM 0 HG22 ILE B 31 30.669 11.440 21.311 1.00 0.59 H new ATOM 0 HG23 ILE B 31 31.607 12.034 19.920 1.00 0.59 H new ATOM 0 HD11 ILE B 31 31.115 9.007 17.011 1.00 1.05 H new ATOM 0 HD12 ILE B 31 30.428 8.336 18.510 1.00 1.05 H new ATOM 0 HD13 ILE B 31 30.160 10.046 18.096 1.00 1.05 H new ATOM 2050 N THR B 32 33.108 12.087 21.970 1.00 0.62 N ATOM 2051 CA THR B 32 33.564 13.496 22.022 1.00 0.66 C ATOM 2052 C THR B 32 34.676 13.695 23.048 1.00 0.74 C ATOM 2053 O THR B 32 35.636 14.369 22.756 1.00 0.79 O ATOM 2054 CB THR B 32 32.461 14.465 22.398 1.00 0.67 C ATOM 2055 OG1 THR B 32 31.932 14.106 23.665 1.00 0.72 O ATOM 2056 CG2 THR B 32 31.356 14.446 21.344 1.00 0.65 C ATOM 0 H THR B 32 32.304 11.869 22.558 1.00 0.62 H new ATOM 0 HA THR B 32 33.914 13.703 21.011 1.00 0.66 H new ATOM 0 HB THR B 32 32.872 15.473 22.449 1.00 0.67 H new ATOM 0 HG1 THR B 32 30.980 13.891 23.573 1.00 0.72 H new ATOM 0 HG21 THR B 32 30.571 15.147 21.627 1.00 0.65 H new ATOM 0 HG22 THR B 32 31.770 14.736 20.378 1.00 0.65 H new ATOM 0 HG23 THR B 32 30.938 13.442 21.273 1.00 0.65 H new ATOM 2064 N THR B 33 34.448 13.309 24.287 1.00 0.80 N ATOM 2065 CA THR B 33 35.361 13.691 25.419 1.00 0.91 C ATOM 2066 C THR B 33 36.835 13.533 25.048 1.00 0.92 C ATOM 2067 O THR B 33 37.622 14.444 25.265 1.00 0.99 O ATOM 2068 CB THR B 33 35.002 12.853 26.640 1.00 0.98 C ATOM 2069 OG1 THR B 33 35.761 13.286 27.759 1.00 1.13 O ATOM 2070 CG2 THR B 33 35.272 11.370 26.373 1.00 1.10 C ATOM 0 H THR B 33 33.652 12.735 24.565 1.00 0.80 H new ATOM 0 HA THR B 33 35.219 14.748 25.645 1.00 0.91 H new ATOM 0 HB THR B 33 33.940 12.981 26.850 1.00 0.98 H new ATOM 0 HG1 THR B 33 35.526 12.746 28.542 1.00 1.13 H new ATOM 0 HG21 THR B 33 35.010 10.788 27.256 1.00 1.10 H new ATOM 0 HG22 THR B 33 34.671 11.037 25.527 1.00 1.10 H new ATOM 0 HG23 THR B 33 36.328 11.228 26.145 1.00 1.10 H new ATOM 2078 N GLU B 34 37.121 12.505 24.285 1.00 0.87 N ATOM 2079 CA GLU B 34 38.468 12.338 23.665 1.00 0.90 C ATOM 2080 C GLU B 34 38.749 13.559 22.788 1.00 0.88 C ATOM 2081 O GLU B 34 39.646 14.345 23.074 1.00 0.95 O ATOM 2082 CB GLU B 34 38.443 11.089 22.789 1.00 0.89 C ATOM 2083 CG GLU B 34 38.217 9.857 23.664 1.00 1.24 C ATOM 2084 CD GLU B 34 38.875 8.636 23.017 1.00 1.48 C ATOM 2085 OE1 GLU B 34 40.092 8.559 23.043 1.00 2.00 O ATOM 2086 OE2 GLU B 34 38.150 7.795 22.512 1.00 2.01 O ATOM 0 H GLU B 34 36.460 11.760 24.063 1.00 0.87 H new ATOM 0 HA GLU B 34 39.237 12.242 24.431 1.00 0.90 H new ATOM 0 HB2 GLU B 34 37.651 11.170 22.045 1.00 0.89 H new ATOM 0 HB3 GLU B 34 39.383 10.994 22.245 1.00 0.89 H new ATOM 0 HG2 GLU B 34 38.634 10.023 24.657 1.00 1.24 H new ATOM 0 HG3 GLU B 34 37.149 9.681 23.792 1.00 1.24 H new ATOM 2093 N THR B 35 37.905 13.760 21.794 1.00 0.81 N ATOM 2094 CA THR B 35 38.011 14.944 20.906 1.00 0.80 C ATOM 2095 C THR B 35 38.036 16.238 21.719 1.00 0.84 C ATOM 2096 O THR B 35 39.118 16.679 22.010 1.00 0.89 O ATOM 2097 CB THR B 35 36.937 14.952 19.820 1.00 0.78 C ATOM 2098 OG1 THR B 35 35.630 14.964 20.367 1.00 0.86 O ATOM 2099 CG2 THR B 35 37.097 13.710 18.940 1.00 0.95 C ATOM 0 H THR B 35 37.134 13.132 21.567 1.00 0.81 H new ATOM 0 HA THR B 35 38.963 14.876 20.379 1.00 0.80 H new ATOM 0 HB THR B 35 37.066 15.861 19.233 1.00 0.78 H new ATOM 0 HG1 THR B 35 35.675 14.769 21.326 1.00 0.86 H new ATOM 0 HG21 THR B 35 36.332 13.713 18.164 1.00 0.95 H new ATOM 0 HG22 THR B 35 38.084 13.717 18.477 1.00 0.95 H new ATOM 0 HG23 THR B 35 36.990 12.814 19.552 1.00 0.95 H new ATOM 2107 N VAL B 36 36.918 16.793 22.147 1.00 0.84 N ATOM 2108 CA VAL B 36 36.875 18.127 22.845 1.00 0.92 C ATOM 2109 C VAL B 36 38.131 18.442 23.663 1.00 0.98 C ATOM 2110 O VAL B 36 38.867 19.348 23.303 1.00 1.03 O ATOM 2111 CB VAL B 36 35.623 18.252 23.717 1.00 0.99 C ATOM 2112 CG1 VAL B 36 35.482 19.708 24.165 1.00 1.42 C ATOM 2113 CG2 VAL B 36 34.380 17.865 22.910 1.00 1.35 C ATOM 0 H VAL B 36 36.002 16.359 22.036 1.00 0.84 H new ATOM 0 HA VAL B 36 36.837 18.871 22.049 1.00 0.92 H new ATOM 0 HB VAL B 36 35.715 17.590 24.578 1.00 0.99 H new ATOM 0 HG11 VAL B 36 34.594 19.813 24.788 1.00 1.42 H new ATOM 0 HG12 VAL B 36 36.363 19.999 24.737 1.00 1.42 H new ATOM 0 HG13 VAL B 36 35.389 20.351 23.290 1.00 1.42 H new ATOM 0 HG21 VAL B 36 33.495 17.957 23.539 1.00 1.35 H new ATOM 0 HG22 VAL B 36 34.284 18.527 22.049 1.00 1.35 H new ATOM 0 HG23 VAL B 36 34.475 16.835 22.566 1.00 1.35 H new ATOM 2123 N ALA B 37 38.464 17.589 24.601 1.00 0.99 N ATOM 2124 CA ALA B 37 39.671 17.795 25.459 1.00 1.07 C ATOM 2125 C ALA B 37 40.919 18.106 24.634 1.00 1.09 C ATOM 2126 O ALA B 37 41.482 19.177 24.761 1.00 1.17 O ATOM 2127 CB ALA B 37 39.905 16.543 26.307 1.00 1.07 C ATOM 0 H ALA B 37 37.938 16.741 24.812 1.00 0.99 H new ATOM 0 HA ALA B 37 39.485 18.657 26.100 1.00 1.07 H new ATOM 0 HB1 ALA B 37 40.784 16.688 26.935 1.00 1.07 H new ATOM 0 HB2 ALA B 37 39.034 16.363 26.938 1.00 1.07 H new ATOM 0 HB3 ALA B 37 40.063 15.685 25.653 1.00 1.07 H new ATOM 2133 N LYS B 38 41.347 17.161 23.839 1.00 1.05 N ATOM 2134 CA LYS B 38 42.600 17.311 23.030 1.00 1.10 C ATOM 2135 C LYS B 38 42.255 17.629 21.575 1.00 1.05 C ATOM 2136 O LYS B 38 42.820 18.526 20.974 1.00 1.10 O ATOM 2137 CB LYS B 38 43.388 15.996 23.073 1.00 1.14 C ATOM 2138 CG LYS B 38 44.724 16.157 22.339 1.00 1.19 C ATOM 2139 CD LYS B 38 45.787 15.273 22.992 1.00 1.42 C ATOM 2140 CE LYS B 38 47.059 15.307 22.142 1.00 1.58 C ATOM 2141 NZ LYS B 38 48.192 14.718 22.910 1.00 2.07 N ATOM 0 H LYS B 38 40.870 16.268 23.712 1.00 1.05 H new ATOM 0 HA LYS B 38 43.194 18.124 23.447 1.00 1.10 H new ATOM 0 HB2 LYS B 38 43.566 15.704 24.108 1.00 1.14 H new ATOM 0 HB3 LYS B 38 42.805 15.199 22.612 1.00 1.14 H new ATOM 0 HG2 LYS B 38 44.607 15.886 21.290 1.00 1.19 H new ATOM 0 HG3 LYS B 38 45.040 17.200 22.365 1.00 1.19 H new ATOM 0 HD2 LYS B 38 46.000 15.625 24.001 1.00 1.42 H new ATOM 0 HD3 LYS B 38 45.422 14.250 23.081 1.00 1.42 H new ATOM 0 HE2 LYS B 38 46.905 14.750 21.218 1.00 1.58 H new ATOM 0 HE3 LYS B 38 47.293 16.334 21.861 1.00 1.58 H new ATOM 0 HZ1 LYS B 38 49.055 14.743 22.330 1.00 2.07 H new ATOM 0 HZ2 LYS B 38 48.344 15.267 23.780 1.00 2.07 H new ATOM 0 HZ3 LYS B 38 47.969 13.733 23.157 1.00 2.07 H new ATOM 2155 N GLY B 39 41.455 16.774 20.999 1.00 0.97 N ATOM 2156 CA GLY B 39 41.144 16.808 19.545 1.00 0.95 C ATOM 2157 C GLY B 39 39.911 17.655 19.223 1.00 0.90 C ATOM 2158 O GLY B 39 39.394 17.480 18.136 1.00 0.89 O ATOM 0 H GLY B 39 40.985 16.021 21.502 1.00 0.97 H new ATOM 0 HA2 GLY B 39 42.003 17.204 19.003 1.00 0.95 H new ATOM 0 HA3 GLY B 39 40.984 15.791 19.188 1.00 0.95 H new ATOM 2162 N ASP B 40 39.368 18.433 20.156 1.00 0.91 N ATOM 2163 CA ASP B 40 38.092 19.212 19.955 1.00 0.91 C ATOM 2164 C ASP B 40 37.701 19.441 18.489 1.00 0.89 C ATOM 2165 O ASP B 40 36.811 18.779 17.988 1.00 0.92 O ATOM 2166 CB ASP B 40 38.205 20.575 20.666 1.00 0.97 C ATOM 2167 CG ASP B 40 39.640 21.129 20.690 1.00 1.03 C ATOM 2168 OD1 ASP B 40 40.470 20.555 21.375 1.00 1.54 O ATOM 2169 OD2 ASP B 40 39.888 22.104 20.001 1.00 1.47 O ATOM 0 H ASP B 40 39.779 18.559 21.081 1.00 0.91 H new ATOM 0 HA ASP B 40 37.301 18.597 20.384 1.00 0.91 H new ATOM 0 HB2 ASP B 40 37.554 21.293 20.167 1.00 0.97 H new ATOM 0 HB3 ASP B 40 37.844 20.475 21.690 1.00 0.97 H new ATOM 2174 N LYS B 41 38.427 20.295 17.815 1.00 0.89 N ATOM 2175 CA LYS B 41 38.308 20.513 16.329 1.00 0.88 C ATOM 2176 C LYS B 41 37.854 19.251 15.564 1.00 0.86 C ATOM 2177 O LYS B 41 38.524 18.233 15.610 1.00 0.95 O ATOM 2178 CB LYS B 41 39.695 20.916 15.809 1.00 0.93 C ATOM 2179 CG LYS B 41 40.773 19.919 16.272 1.00 0.97 C ATOM 2180 CD LYS B 41 41.408 20.371 17.590 1.00 1.11 C ATOM 2181 CE LYS B 41 42.925 20.512 17.430 1.00 1.31 C ATOM 2182 NZ LYS B 41 43.226 21.639 16.503 1.00 1.97 N ATOM 0 H LYS B 41 39.136 20.883 18.253 1.00 0.89 H new ATOM 0 HA LYS B 41 37.552 21.281 16.162 1.00 0.88 H new ATOM 0 HB2 LYS B 41 39.680 20.960 14.720 1.00 0.93 H new ATOM 0 HB3 LYS B 41 39.944 21.916 16.165 1.00 0.93 H new ATOM 0 HG2 LYS B 41 40.330 18.931 16.398 1.00 0.97 H new ATOM 0 HG3 LYS B 41 41.543 19.828 15.506 1.00 0.97 H new ATOM 0 HD2 LYS B 41 40.978 21.323 17.900 1.00 1.11 H new ATOM 0 HD3 LYS B 41 41.184 19.649 18.375 1.00 1.11 H new ATOM 0 HE2 LYS B 41 43.388 20.692 18.400 1.00 1.31 H new ATOM 0 HE3 LYS B 41 43.348 19.585 17.042 1.00 1.31 H new ATOM 0 HZ1 LYS B 41 44.206 21.956 16.648 1.00 1.97 H new ATOM 0 HZ2 LYS B 41 43.107 21.321 15.520 1.00 1.97 H new ATOM 0 HZ3 LYS B 41 42.575 22.428 16.693 1.00 1.97 H new ATOM 2196 N VAL B 42 36.675 19.273 14.975 1.00 0.76 N ATOM 2197 CA VAL B 42 36.133 18.039 14.317 1.00 0.75 C ATOM 2198 C VAL B 42 34.952 18.354 13.391 1.00 0.66 C ATOM 2199 O VAL B 42 34.317 19.382 13.524 1.00 0.68 O ATOM 2200 CB VAL B 42 35.772 17.020 15.421 1.00 0.80 C ATOM 2201 CG1 VAL B 42 34.354 17.193 15.976 1.00 0.72 C ATOM 2202 CG2 VAL B 42 35.896 15.604 14.871 1.00 0.89 C ATOM 0 H VAL B 42 36.068 20.091 14.923 1.00 0.76 H new ATOM 0 HA VAL B 42 36.892 17.603 13.668 1.00 0.75 H new ATOM 0 HB VAL B 42 36.471 17.199 16.238 1.00 0.80 H new ATOM 0 HG11 VAL B 42 34.171 16.444 16.746 1.00 0.72 H new ATOM 0 HG12 VAL B 42 34.251 18.189 16.407 1.00 0.72 H new ATOM 0 HG13 VAL B 42 33.630 17.069 15.170 1.00 0.72 H new ATOM 0 HG21 VAL B 42 35.641 14.887 15.651 1.00 0.89 H new ATOM 0 HG22 VAL B 42 35.216 15.480 14.028 1.00 0.89 H new ATOM 0 HG23 VAL B 42 36.920 15.431 14.540 1.00 0.89 H new ATOM 2212 N GLN B 43 34.616 17.399 12.557 1.00 0.65 N ATOM 2213 CA GLN B 43 33.375 17.449 11.727 1.00 0.60 C ATOM 2214 C GLN B 43 32.786 16.035 11.741 1.00 0.56 C ATOM 2215 O GLN B 43 33.547 15.081 11.706 1.00 0.67 O ATOM 2216 CB GLN B 43 33.702 17.899 10.298 1.00 0.79 C ATOM 2217 CG GLN B 43 34.731 16.956 9.670 1.00 1.11 C ATOM 2218 CD GLN B 43 35.003 17.386 8.227 1.00 1.30 C ATOM 2219 OE1 GLN B 43 34.163 17.224 7.363 1.00 1.87 O ATOM 2220 NE2 GLN B 43 36.148 17.936 7.928 1.00 1.63 N ATOM 0 H GLN B 43 35.174 16.557 12.415 1.00 0.65 H new ATOM 0 HA GLN B 43 32.660 18.168 12.125 1.00 0.60 H new ATOM 0 HB2 GLN B 43 32.794 17.911 9.696 1.00 0.79 H new ATOM 0 HB3 GLN B 43 34.090 18.917 10.309 1.00 0.79 H new ATOM 0 HG2 GLN B 43 35.656 16.974 10.247 1.00 1.11 H new ATOM 0 HG3 GLN B 43 34.361 15.931 9.692 1.00 1.11 H new ATOM 0 HE21 GLN B 43 36.853 18.072 8.652 1.00 1.63 H new ATOM 0 HE22 GLN B 43 36.338 18.230 6.970 1.00 1.63 H new ATOM 2229 N LEU B 44 31.483 15.897 11.890 1.00 0.53 N ATOM 2230 CA LEU B 44 30.877 14.542 12.068 1.00 0.64 C ATOM 2231 C LEU B 44 29.694 14.352 11.114 1.00 0.58 C ATOM 2232 O LEU B 44 28.550 14.534 11.483 1.00 0.64 O ATOM 2233 CB LEU B 44 30.442 14.367 13.531 1.00 0.81 C ATOM 2234 CG LEU B 44 31.393 13.412 14.260 1.00 0.78 C ATOM 2235 CD1 LEU B 44 32.580 14.201 14.818 1.00 1.27 C ATOM 2236 CD2 LEU B 44 30.648 12.727 15.408 1.00 1.56 C ATOM 0 H LEU B 44 30.817 16.670 11.895 1.00 0.53 H new ATOM 0 HA LEU B 44 31.618 13.780 11.828 1.00 0.64 H new ATOM 0 HB2 LEU B 44 30.433 15.335 14.033 1.00 0.81 H new ATOM 0 HB3 LEU B 44 29.425 13.978 13.571 1.00 0.81 H new ATOM 0 HG LEU B 44 31.756 12.657 13.562 1.00 0.78 H new ATOM 0 HD11 LEU B 44 33.257 13.522 15.337 1.00 1.27 H new ATOM 0 HD12 LEU B 44 33.111 14.687 13.999 1.00 1.27 H new ATOM 0 HD13 LEU B 44 32.219 14.957 15.516 1.00 1.27 H new ATOM 0 HD21 LEU B 44 31.324 12.048 15.927 1.00 1.56 H new ATOM 0 HD22 LEU B 44 30.284 13.480 16.107 1.00 1.56 H new ATOM 0 HD23 LEU B 44 29.804 12.164 15.009 1.00 1.56 H new ATOM 2248 N THR B 45 29.997 13.934 9.908 1.00 0.60 N ATOM 2249 CA THR B 45 28.970 13.576 8.877 1.00 0.67 C ATOM 2250 C THR B 45 27.841 14.620 8.797 1.00 0.69 C ATOM 2251 O THR B 45 26.674 14.281 8.669 1.00 0.78 O ATOM 2252 CB THR B 45 28.435 12.168 9.182 1.00 0.80 C ATOM 2253 OG1 THR B 45 27.586 11.748 8.125 1.00 1.20 O ATOM 2254 CG2 THR B 45 27.644 12.162 10.490 1.00 1.41 C ATOM 0 H THR B 45 30.957 13.822 9.583 1.00 0.60 H new ATOM 0 HA THR B 45 29.437 13.575 7.892 1.00 0.67 H new ATOM 0 HB THR B 45 29.282 11.488 9.279 1.00 0.80 H new ATOM 0 HG1 THR B 45 26.959 12.468 7.903 1.00 1.20 H new ATOM 0 HG21 THR B 45 27.274 11.156 10.687 1.00 1.41 H new ATOM 0 HG22 THR B 45 28.291 12.477 11.308 1.00 1.41 H new ATOM 0 HG23 THR B 45 26.801 12.849 10.409 1.00 1.41 H new ATOM 2262 N GLY B 46 28.215 15.879 8.746 1.00 0.68 N ATOM 2263 CA GLY B 46 27.234 16.991 8.543 1.00 0.77 C ATOM 2264 C GLY B 46 26.202 17.002 9.676 1.00 0.76 C ATOM 2265 O GLY B 46 25.022 17.199 9.453 1.00 0.90 O ATOM 0 H GLY B 46 29.183 16.187 8.839 1.00 0.68 H new ATOM 0 HA2 GLY B 46 27.758 17.946 8.510 1.00 0.77 H new ATOM 0 HA3 GLY B 46 26.730 16.870 7.584 1.00 0.77 H new ATOM 2269 N PHE B 47 26.659 16.679 10.855 1.00 0.64 N ATOM 2270 CA PHE B 47 25.809 16.502 12.061 1.00 0.67 C ATOM 2271 C PHE B 47 26.509 17.289 13.190 1.00 0.62 C ATOM 2272 O PHE B 47 25.834 17.944 13.966 1.00 0.64 O ATOM 2273 CB PHE B 47 25.683 14.985 12.208 1.00 0.70 C ATOM 2274 CG PHE B 47 25.942 14.483 13.584 1.00 0.65 C ATOM 2275 CD1 PHE B 47 25.262 15.064 14.641 1.00 1.51 C ATOM 2276 CD2 PHE B 47 26.675 13.318 13.737 1.00 1.05 C ATOM 2277 CE1 PHE B 47 25.283 14.458 15.888 1.00 1.50 C ATOM 2278 CE2 PHE B 47 26.743 12.727 14.994 1.00 1.12 C ATOM 2279 CZ PHE B 47 26.024 13.279 16.070 1.00 0.70 C ATOM 0 H PHE B 47 27.650 16.522 11.036 1.00 0.64 H new ATOM 0 HA PHE B 47 24.792 16.894 12.044 1.00 0.67 H new ATOM 0 HB2 PHE B 47 24.680 14.684 11.906 1.00 0.70 H new ATOM 0 HB3 PHE B 47 26.380 14.505 11.521 1.00 0.70 H new ATOM 0 HD1 PHE B 47 24.718 15.985 14.495 1.00 1.51 H new ATOM 0 HD2 PHE B 47 27.185 12.876 12.894 1.00 1.05 H new ATOM 0 HE1 PHE B 47 24.734 14.889 16.712 1.00 1.50 H new ATOM 0 HE2 PHE B 47 27.347 11.845 15.144 1.00 1.12 H new ATOM 0 HZ PHE B 47 26.042 12.796 17.036 1.00 0.70 H new ATOM 2289 N LEU B 48 27.827 17.204 13.292 1.00 0.58 N ATOM 2290 CA LEU B 48 28.568 17.923 14.379 1.00 0.57 C ATOM 2291 C LEU B 48 29.946 18.438 13.918 1.00 0.60 C ATOM 2292 O LEU B 48 30.910 17.686 13.930 1.00 0.67 O ATOM 2293 CB LEU B 48 28.749 16.945 15.553 1.00 0.61 C ATOM 2294 CG LEU B 48 27.830 17.330 16.710 1.00 0.90 C ATOM 2295 CD1 LEU B 48 27.494 16.089 17.539 1.00 1.29 C ATOM 2296 CD2 LEU B 48 28.546 18.343 17.603 1.00 1.36 C ATOM 0 H LEU B 48 28.417 16.662 12.661 1.00 0.58 H new ATOM 0 HA LEU B 48 27.988 18.798 14.672 1.00 0.57 H new ATOM 0 HB2 LEU B 48 28.527 15.929 15.226 1.00 0.61 H new ATOM 0 HB3 LEU B 48 29.787 16.954 15.886 1.00 0.61 H new ATOM 0 HG LEU B 48 26.912 17.762 16.312 1.00 0.90 H new ATOM 0 HD11 LEU B 48 26.838 16.369 18.363 1.00 1.29 H new ATOM 0 HD12 LEU B 48 26.992 15.355 16.909 1.00 1.29 H new ATOM 0 HD13 LEU B 48 28.413 15.657 17.937 1.00 1.29 H new ATOM 0 HD21 LEU B 48 27.895 18.622 18.431 1.00 1.36 H new ATOM 0 HD22 LEU B 48 29.462 17.900 17.995 1.00 1.36 H new ATOM 0 HD23 LEU B 48 28.793 19.231 17.021 1.00 1.36 H new ATOM 2308 N ASN B 49 30.075 19.737 13.688 1.00 0.58 N ATOM 2309 CA ASN B 49 31.432 20.347 13.487 1.00 0.63 C ATOM 2310 C ASN B 49 31.837 21.063 14.775 1.00 0.66 C ATOM 2311 O ASN B 49 31.321 22.127 15.071 1.00 0.79 O ATOM 2312 CB ASN B 49 31.468 21.333 12.316 1.00 0.68 C ATOM 2313 CG ASN B 49 31.549 20.566 10.995 1.00 0.80 C ATOM 2314 OD1 ASN B 49 32.537 20.651 10.292 1.00 1.43 O ATOM 2315 ND2 ASN B 49 30.542 19.829 10.617 1.00 1.23 N ATOM 0 H ASN B 49 29.296 20.394 13.632 1.00 0.58 H new ATOM 0 HA ASN B 49 32.130 19.546 13.246 1.00 0.63 H new ATOM 0 HB2 ASN B 49 30.576 21.960 12.329 1.00 0.68 H new ATOM 0 HB3 ASN B 49 32.326 21.998 12.414 1.00 0.68 H new ATOM 0 HD21 ASN B 49 30.584 19.324 9.732 1.00 1.23 H new ATOM 0 HD22 ASN B 49 29.713 19.757 11.207 1.00 1.23 H new ATOM 2322 N ILE B 50 32.667 20.423 15.570 1.00 0.63 N ATOM 2323 CA ILE B 50 33.015 20.969 16.922 1.00 0.68 C ATOM 2324 C ILE B 50 34.120 22.028 16.845 1.00 0.74 C ATOM 2325 O ILE B 50 35.113 21.851 16.160 1.00 0.76 O ATOM 2326 CB ILE B 50 33.428 19.862 17.895 1.00 0.69 C ATOM 2327 CG1 ILE B 50 32.400 18.727 17.838 1.00 0.71 C ATOM 2328 CG2 ILE B 50 33.479 20.435 19.317 1.00 0.83 C ATOM 2329 CD1 ILE B 50 32.862 17.570 18.726 1.00 1.46 C ATOM 0 H ILE B 50 33.120 19.540 15.337 1.00 0.63 H new ATOM 0 HA ILE B 50 32.109 21.442 17.300 1.00 0.68 H new ATOM 0 HB ILE B 50 34.410 19.477 17.620 1.00 0.69 H new ATOM 0 HG12 ILE B 50 31.427 19.088 18.171 1.00 0.71 H new ATOM 0 HG13 ILE B 50 32.279 18.384 16.811 1.00 0.71 H new ATOM 0 HG21 ILE B 50 33.773 19.651 20.015 1.00 0.83 H new ATOM 0 HG22 ILE B 50 34.205 21.247 19.356 1.00 0.83 H new ATOM 0 HG23 ILE B 50 32.495 20.815 19.592 1.00 0.83 H new ATOM 0 HD11 ILE B 50 32.129 16.764 18.684 1.00 1.46 H new ATOM 0 HD12 ILE B 50 33.826 17.203 18.373 1.00 1.46 H new ATOM 0 HD13 ILE B 50 32.960 17.917 19.754 1.00 1.46 H new ATOM 2341 N LYS B 51 33.952 23.088 17.606 1.00 0.79 N ATOM 2342 CA LYS B 51 34.962 24.188 17.696 1.00 0.87 C ATOM 2343 C LYS B 51 34.762 24.922 19.043 1.00 0.94 C ATOM 2344 O LYS B 51 33.945 25.824 19.117 1.00 1.10 O ATOM 2345 CB LYS B 51 34.788 25.148 16.515 1.00 0.92 C ATOM 2346 CG LYS B 51 36.154 25.701 16.104 1.00 1.10 C ATOM 2347 CD LYS B 51 36.659 26.663 17.183 1.00 1.38 C ATOM 2348 CE LYS B 51 37.905 27.405 16.688 1.00 1.84 C ATOM 2349 NZ LYS B 51 37.708 28.871 16.862 1.00 2.39 N ATOM 0 H LYS B 51 33.127 23.237 18.187 1.00 0.79 H new ATOM 0 HA LYS B 51 35.974 23.785 17.652 1.00 0.87 H new ATOM 0 HB2 LYS B 51 34.326 24.629 15.675 1.00 0.92 H new ATOM 0 HB3 LYS B 51 34.121 25.965 16.791 1.00 0.92 H new ATOM 0 HG2 LYS B 51 36.863 24.885 15.968 1.00 1.10 H new ATOM 0 HG3 LYS B 51 36.076 26.218 15.148 1.00 1.10 H new ATOM 0 HD2 LYS B 51 35.877 27.379 17.437 1.00 1.38 H new ATOM 0 HD3 LYS B 51 36.893 26.110 18.093 1.00 1.38 H new ATOM 0 HE2 LYS B 51 38.783 27.076 17.244 1.00 1.84 H new ATOM 0 HE3 LYS B 51 38.087 27.173 15.639 1.00 1.84 H new ATOM 0 HZ1 LYS B 51 38.552 29.377 16.527 1.00 2.39 H new ATOM 0 HZ2 LYS B 51 36.880 29.178 16.313 1.00 2.39 H new ATOM 0 HZ3 LYS B 51 37.554 29.084 17.868 1.00 2.39 H new ATOM 2363 N PRO B 52 35.432 24.443 20.084 1.00 0.98 N ATOM 2364 CA PRO B 52 35.218 24.995 21.456 1.00 1.07 C ATOM 2365 C PRO B 52 36.284 26.029 21.832 1.00 1.10 C ATOM 2366 O PRO B 52 36.953 26.577 20.975 1.00 1.15 O ATOM 2367 CB PRO B 52 35.322 23.793 22.404 1.00 1.18 C ATOM 2368 CG PRO B 52 35.926 22.633 21.605 1.00 1.24 C ATOM 2369 CD PRO B 52 36.028 23.087 20.148 1.00 1.07 C ATOM 0 HA PRO B 52 34.255 25.502 21.514 1.00 1.07 H new ATOM 0 HB2 PRO B 52 35.948 24.034 23.263 1.00 1.18 H new ATOM 0 HB3 PRO B 52 34.339 23.523 22.791 1.00 1.18 H new ATOM 0 HG2 PRO B 52 36.909 22.369 21.995 1.00 1.24 H new ATOM 0 HG3 PRO B 52 35.301 21.744 21.687 1.00 1.24 H new ATOM 0 HD2 PRO B 52 37.067 23.105 19.820 1.00 1.07 H new ATOM 0 HD3 PRO B 52 35.497 22.399 19.490 1.00 1.07 H new ATOM 2377 N VAL B 53 36.331 26.367 23.105 1.00 1.15 N ATOM 2378 CA VAL B 53 37.211 27.467 23.618 1.00 1.26 C ATOM 2379 C VAL B 53 37.401 27.331 25.133 1.00 1.32 C ATOM 2380 O VAL B 53 36.542 26.774 25.794 1.00 1.38 O ATOM 2381 CB VAL B 53 36.466 28.798 23.437 1.00 1.32 C ATOM 2382 CG1 VAL B 53 37.387 29.974 23.787 1.00 1.43 C ATOM 2383 CG2 VAL B 53 35.966 28.968 22.000 1.00 1.38 C ATOM 0 H VAL B 53 35.777 25.909 23.829 1.00 1.15 H new ATOM 0 HA VAL B 53 38.162 27.423 23.088 1.00 1.26 H new ATOM 0 HB VAL B 53 35.607 28.785 24.108 1.00 1.32 H new ATOM 0 HG11 VAL B 53 36.847 30.911 23.654 1.00 1.43 H new ATOM 0 HG12 VAL B 53 37.712 29.886 24.824 1.00 1.43 H new ATOM 0 HG13 VAL B 53 38.258 29.962 23.132 1.00 1.43 H new ATOM 0 HG21 VAL B 53 35.443 29.920 21.907 1.00 1.38 H new ATOM 0 HG22 VAL B 53 36.814 28.951 21.315 1.00 1.38 H new ATOM 0 HG23 VAL B 53 35.284 28.154 21.753 1.00 1.38 H new ATOM 2393 N ALA B 54 38.412 27.978 25.686 1.00 1.35 N ATOM 2394 CA ALA B 54 38.529 28.209 27.132 1.00 1.42 C ATOM 2395 C ALA B 54 38.340 29.685 27.438 1.00 1.49 C ATOM 2396 O ALA B 54 38.615 30.498 26.569 1.00 1.68 O ATOM 2397 CB ALA B 54 39.974 27.847 27.500 1.00 1.47 C ATOM 0 H ALA B 54 39.187 28.365 25.147 1.00 1.35 H new ATOM 0 HA ALA B 54 37.787 27.627 27.678 1.00 1.42 H new ATOM 0 HB1 ALA B 54 40.126 27.998 28.569 1.00 1.47 H new ATOM 0 HB2 ALA B 54 40.162 26.803 27.251 1.00 1.47 H new ATOM 0 HB3 ALA B 54 40.662 28.483 26.942 1.00 1.47 H new ATOM 2403 N ARG B 55 38.337 29.965 28.730 1.00 1.40 N ATOM 2404 CA ARG B 55 39.078 31.186 29.116 1.00 1.47 C ATOM 2405 C ARG B 55 39.552 31.051 30.560 1.00 1.35 C ATOM 2406 O ARG B 55 39.319 31.910 31.392 1.00 1.34 O ATOM 2407 CB ARG B 55 38.340 32.501 28.828 1.00 1.57 C ATOM 2408 CG ARG B 55 38.964 33.224 27.628 1.00 1.92 C ATOM 2409 CD ARG B 55 39.951 34.292 28.113 1.00 2.22 C ATOM 2410 NE ARG B 55 39.394 35.643 27.823 1.00 2.78 N ATOM 2411 CZ ARG B 55 39.834 36.685 28.473 1.00 3.45 C ATOM 2412 NH1 ARG B 55 40.851 37.361 28.016 1.00 4.16 N ATOM 2413 NH2 ARG B 55 39.236 37.067 29.569 1.00 3.84 N ATOM 0 H ARG B 55 37.884 29.435 29.475 1.00 1.40 H new ATOM 0 HA ARG B 55 39.951 31.260 28.468 1.00 1.47 H new ATOM 0 HB2 ARG B 55 37.288 32.297 28.628 1.00 1.57 H new ATOM 0 HB3 ARG B 55 38.379 33.145 29.707 1.00 1.57 H new ATOM 0 HG2 ARG B 55 39.478 32.507 26.988 1.00 1.92 H new ATOM 0 HG3 ARG B 55 38.182 33.687 27.025 1.00 1.92 H new ATOM 0 HD2 ARG B 55 40.129 34.181 29.183 1.00 2.22 H new ATOM 0 HD3 ARG B 55 40.913 34.168 27.616 1.00 2.22 H new ATOM 0 HE ARG B 55 38.668 35.753 27.115 1.00 2.78 H new ATOM 0 HH11 ARG B 55 41.305 37.076 27.148 1.00 4.16 H new ATOM 0 HH12 ARG B 55 41.193 38.175 28.526 1.00 4.16 H new ATOM 0 HH21 ARG B 55 38.427 36.551 29.915 1.00 3.84 H new ATOM 0 HH22 ARG B 55 39.578 37.881 30.079 1.00 3.84 H new ATOM 2427 N GLN B 56 40.542 30.196 30.675 1.00 1.41 N ATOM 2428 CA GLN B 56 41.458 30.123 31.866 1.00 1.40 C ATOM 2429 C GLN B 56 40.836 30.575 33.191 1.00 1.30 C ATOM 2430 O GLN B 56 39.633 30.475 33.370 1.00 1.38 O ATOM 2431 CB GLN B 56 42.726 30.923 31.526 1.00 1.61 C ATOM 2432 CG GLN B 56 42.416 32.422 31.464 1.00 1.97 C ATOM 2433 CD GLN B 56 43.707 33.202 31.200 1.00 2.18 C ATOM 2434 OE1 GLN B 56 44.309 33.728 32.115 1.00 2.64 O ATOM 2435 NE2 GLN B 56 44.162 33.295 29.980 1.00 2.54 N ATOM 0 H GLN B 56 40.764 29.510 29.954 1.00 1.41 H new ATOM 0 HA GLN B 56 41.689 29.073 32.046 1.00 1.40 H new ATOM 0 HB2 GLN B 56 43.493 30.735 32.277 1.00 1.61 H new ATOM 0 HB3 GLN B 56 43.128 30.589 30.569 1.00 1.61 H new ATOM 0 HG2 GLN B 56 41.691 32.621 30.675 1.00 1.97 H new ATOM 0 HG3 GLN B 56 41.966 32.750 32.401 1.00 1.97 H new ATOM 0 HE21 GLN B 56 43.656 32.853 29.212 1.00 2.54 H new ATOM 0 HE22 GLN B 56 45.023 33.809 29.795 1.00 2.54 H new ATOM 2444 N ALA B 57 41.685 30.810 34.168 1.00 1.26 N ATOM 2445 CA ALA B 57 41.221 31.008 35.568 1.00 1.26 C ATOM 2446 C ALA B 57 41.143 32.501 35.922 1.00 1.37 C ATOM 2447 O ALA B 57 41.938 33.014 36.698 1.00 1.51 O ATOM 2448 CB ALA B 57 42.161 30.247 36.513 1.00 1.41 C ATOM 0 H ALA B 57 42.696 30.873 34.044 1.00 1.26 H new ATOM 0 HA ALA B 57 40.212 30.612 35.677 1.00 1.26 H new ATOM 0 HB1 ALA B 57 41.831 30.384 37.543 1.00 1.41 H new ATOM 0 HB2 ALA B 57 42.145 29.186 36.265 1.00 1.41 H new ATOM 0 HB3 ALA B 57 43.176 30.630 36.403 1.00 1.41 H new ATOM 2454 N ARG B 58 40.140 33.176 35.396 1.00 1.60 N ATOM 2455 CA ARG B 58 39.904 34.608 35.745 1.00 1.90 C ATOM 2456 C ARG B 58 39.055 34.654 37.018 1.00 1.75 C ATOM 2457 O ARG B 58 39.315 35.436 37.913 1.00 2.33 O ATOM 2458 CB ARG B 58 39.177 35.300 34.589 1.00 2.91 C ATOM 2459 CG ARG B 58 39.813 36.668 34.331 1.00 3.66 C ATOM 2460 CD ARG B 58 39.486 37.620 35.486 1.00 4.46 C ATOM 2461 NE ARG B 58 40.663 37.711 36.397 1.00 4.82 N ATOM 2462 CZ ARG B 58 40.667 38.573 37.377 1.00 5.60 C ATOM 2463 NH1 ARG B 58 39.625 38.683 38.155 1.00 6.16 N ATOM 2464 NH2 ARG B 58 41.711 39.329 37.578 1.00 6.10 N ATOM 0 H ARG B 58 39.471 32.785 34.733 1.00 1.60 H new ATOM 0 HA ARG B 58 40.848 35.125 35.915 1.00 1.90 H new ATOM 0 HB2 ARG B 58 39.233 34.686 33.690 1.00 2.91 H new ATOM 0 HB3 ARG B 58 38.120 35.418 34.829 1.00 2.91 H new ATOM 0 HG2 ARG B 58 40.893 36.563 34.229 1.00 3.66 H new ATOM 0 HG3 ARG B 58 39.443 37.080 33.392 1.00 3.66 H new ATOM 0 HD2 ARG B 58 39.234 38.607 35.099 1.00 4.46 H new ATOM 0 HD3 ARG B 58 38.615 37.260 36.033 1.00 4.46 H new ATOM 0 HE ARG B 58 41.466 37.099 36.254 1.00 4.82 H new ATOM 0 HH11 ARG B 58 38.807 38.095 37.997 1.00 6.16 H new ATOM 0 HH12 ARG B 58 39.629 39.357 38.921 1.00 6.16 H new ATOM 0 HH21 ARG B 58 42.525 39.247 36.969 1.00 6.10 H new ATOM 0 HH22 ARG B 58 41.713 40.002 38.344 1.00 6.10 H new ATOM 2478 N LYS B 59 38.105 33.751 37.114 1.00 1.96 N ATOM 2479 CA LYS B 59 37.237 33.587 38.326 1.00 2.68 C ATOM 2480 C LYS B 59 36.835 34.931 38.950 1.00 3.01 C ATOM 2481 O LYS B 59 37.591 35.525 39.700 1.00 3.55 O ATOM 2482 CB LYS B 59 37.980 32.734 39.356 1.00 3.44 C ATOM 2483 CG LYS B 59 36.968 32.046 40.276 1.00 4.19 C ATOM 2484 CD LYS B 59 37.710 31.335 41.408 1.00 4.92 C ATOM 2485 CE LYS B 59 37.980 32.328 42.539 1.00 5.77 C ATOM 2486 NZ LYS B 59 39.216 31.927 43.267 1.00 6.37 N ATOM 0 H LYS B 59 37.888 33.092 36.366 1.00 1.96 H new ATOM 0 HA LYS B 59 36.315 33.096 38.014 1.00 2.68 H new ATOM 0 HB2 LYS B 59 38.594 31.988 38.851 1.00 3.44 H new ATOM 0 HB3 LYS B 59 38.654 33.358 39.942 1.00 3.44 H new ATOM 0 HG2 LYS B 59 36.275 32.781 40.686 1.00 4.19 H new ATOM 0 HG3 LYS B 59 36.374 31.329 39.709 1.00 4.19 H new ATOM 0 HD2 LYS B 59 37.117 30.498 41.777 1.00 4.92 H new ATOM 0 HD3 LYS B 59 38.649 30.922 41.039 1.00 4.92 H new ATOM 0 HE2 LYS B 59 38.093 33.334 42.135 1.00 5.77 H new ATOM 0 HE3 LYS B 59 37.133 32.354 43.225 1.00 5.77 H new ATOM 0 HZ1 LYS B 59 39.400 32.602 44.036 1.00 6.37 H new ATOM 0 HZ2 LYS B 59 39.091 30.974 43.665 1.00 6.37 H new ATOM 0 HZ3 LYS B 59 40.021 31.924 42.609 1.00 6.37 H new ATOM 2500 N GLY B 60 35.640 35.378 38.640 1.00 3.14 N ATOM 2501 CA GLY B 60 35.099 36.660 39.185 1.00 3.84 C ATOM 2502 C GLY B 60 33.863 37.056 38.377 1.00 4.05 C ATOM 2503 O GLY B 60 33.912 37.997 37.603 1.00 4.36 O ATOM 0 H GLY B 60 35.001 34.890 38.013 1.00 3.14 H new ATOM 0 HA2 GLY B 60 34.840 36.543 40.237 1.00 3.84 H new ATOM 0 HA3 GLY B 60 35.855 37.443 39.127 1.00 3.84 H new ATOM 2507 N PHE B 61 32.799 36.293 38.507 1.00 4.12 N ATOM 2508 CA PHE B 61 31.561 36.522 37.700 1.00 4.59 C ATOM 2509 C PHE B 61 31.181 37.962 37.316 1.00 4.99 C ATOM 2510 O PHE B 61 30.581 38.110 36.263 1.00 4.91 O ATOM 2511 CB PHE B 61 30.324 35.919 38.374 1.00 5.08 C ATOM 2512 CG PHE B 61 29.954 36.622 39.656 1.00 5.54 C ATOM 2513 CD1 PHE B 61 30.910 37.170 40.517 1.00 6.09 C ATOM 2514 CD2 PHE B 61 28.615 36.773 39.957 1.00 5.59 C ATOM 2515 CE1 PHE B 61 30.553 37.919 41.623 1.00 6.63 C ATOM 2516 CE2 PHE B 61 28.270 37.446 41.117 1.00 6.19 C ATOM 2517 CZ PHE B 61 29.214 38.051 41.924 1.00 6.68 C ATOM 0 H PHE B 61 32.740 35.506 39.153 1.00 4.12 H new ATOM 0 HA PHE B 61 31.849 36.027 36.773 1.00 4.59 H new ATOM 0 HB2 PHE B 61 29.482 35.965 37.684 1.00 5.08 H new ATOM 0 HB3 PHE B 61 30.508 34.865 38.583 1.00 5.08 H new ATOM 0 HD1 PHE B 61 31.957 37.003 40.312 1.00 6.09 H new ATOM 0 HD2 PHE B 61 27.854 36.375 39.302 1.00 5.59 H new ATOM 0 HE1 PHE B 61 31.306 38.390 42.237 1.00 6.63 H new ATOM 0 HE2 PHE B 61 27.229 37.500 41.400 1.00 6.19 H new ATOM 0 HZ PHE B 61 28.905 38.624 42.786 1.00 6.68 H new ATOM 2527 N ASN B 62 31.063 38.839 38.307 1.00 5.56 N ATOM 2528 CA ASN B 62 30.018 39.941 38.243 1.00 6.14 C ATOM 2529 C ASN B 62 29.800 40.618 39.623 1.00 6.72 C ATOM 2530 O ASN B 62 30.561 40.391 40.542 1.00 6.76 O ATOM 2531 CB ASN B 62 28.677 39.255 37.852 1.00 6.26 C ATOM 2532 CG ASN B 62 28.263 39.578 36.414 1.00 6.01 C ATOM 2533 OD1 ASN B 62 28.662 40.577 35.847 1.00 5.89 O ATOM 2534 ND2 ASN B 62 27.431 38.773 35.810 1.00 6.17 N ATOM 0 H ASN B 62 31.638 38.840 39.149 1.00 5.56 H new ATOM 0 HA ASN B 62 30.346 40.702 37.534 1.00 6.14 H new ATOM 0 HB2 ASN B 62 28.776 38.176 37.967 1.00 6.26 H new ATOM 0 HB3 ASN B 62 27.892 39.578 38.536 1.00 6.26 H new ATOM 0 HD21 ASN B 62 27.116 38.982 34.863 1.00 6.17 H new ATOM 0 HD22 ASN B 62 27.096 37.935 36.285 1.00 6.17 H new ATOM 2541 N PRO B 63 28.647 41.265 39.756 1.00 7.23 N ATOM 2542 CA PRO B 63 28.100 41.669 41.078 1.00 7.80 C ATOM 2543 C PRO B 63 26.601 41.286 41.064 1.00 8.15 C ATOM 2544 O PRO B 63 25.723 42.127 40.938 1.00 8.79 O ATOM 2545 CB PRO B 63 28.286 43.190 41.118 1.00 8.35 C ATOM 2546 CG PRO B 63 28.346 43.647 39.653 1.00 8.20 C ATOM 2547 CD PRO B 63 28.441 42.380 38.792 1.00 7.50 C ATOM 0 HA PRO B 63 28.574 41.201 41.941 1.00 7.80 H new ATOM 0 HB2 PRO B 63 27.461 43.670 41.643 1.00 8.35 H new ATOM 0 HB3 PRO B 63 29.200 43.458 41.648 1.00 8.35 H new ATOM 0 HG2 PRO B 63 27.459 44.225 39.393 1.00 8.20 H new ATOM 0 HG3 PRO B 63 29.208 44.293 39.485 1.00 8.20 H new ATOM 0 HD2 PRO B 63 27.533 42.232 38.208 1.00 7.50 H new ATOM 0 HD3 PRO B 63 29.268 42.446 38.085 1.00 7.50 H new ATOM 2555 N GLN B 64 26.332 39.998 41.063 1.00 7.83 N ATOM 2556 CA GLN B 64 24.932 39.462 40.908 1.00 8.34 C ATOM 2557 C GLN B 64 24.812 37.927 41.037 1.00 8.14 C ATOM 2558 O GLN B 64 24.083 37.458 41.892 1.00 8.54 O ATOM 2559 CB GLN B 64 24.382 39.896 39.546 1.00 8.52 C ATOM 2560 CG GLN B 64 22.851 39.888 39.580 1.00 9.19 C ATOM 2561 CD GLN B 64 22.303 39.928 38.150 1.00 9.74 C ATOM 2562 OE1 GLN B 64 22.642 39.094 37.334 1.00 9.90 O ATOM 2563 NE2 GLN B 64 21.471 40.874 37.805 1.00 10.20 N ATOM 0 H GLN B 64 27.044 39.275 41.166 1.00 7.83 H new ATOM 0 HA GLN B 64 24.354 39.878 41.733 1.00 8.34 H new ATOM 0 HB2 GLN B 64 24.744 40.894 39.298 1.00 8.52 H new ATOM 0 HB3 GLN B 64 24.741 39.224 38.767 1.00 8.52 H new ATOM 0 HG2 GLN B 64 22.494 38.995 40.092 1.00 9.19 H new ATOM 0 HG3 GLN B 64 22.486 40.746 40.144 1.00 9.19 H new ATOM 0 HE21 GLN B 64 21.185 41.575 38.488 1.00 10.20 H new ATOM 0 HE22 GLN B 64 21.108 40.911 36.853 1.00 10.20 H new ATOM 2572 N THR B 65 25.450 37.159 40.173 1.00 7.60 N ATOM 2573 CA THR B 65 25.388 35.648 40.200 1.00 7.49 C ATOM 2574 C THR B 65 26.487 35.099 41.145 1.00 7.23 C ATOM 2575 O THR B 65 27.404 34.440 40.715 1.00 7.06 O ATOM 2576 CB THR B 65 25.575 35.090 38.763 1.00 6.95 C ATOM 2577 OG1 THR B 65 26.003 36.093 37.849 1.00 7.01 O ATOM 2578 CG2 THR B 65 24.250 34.515 38.262 1.00 7.35 C ATOM 0 H THR B 65 26.033 37.530 39.423 1.00 7.60 H new ATOM 0 HA THR B 65 24.415 35.329 40.573 1.00 7.49 H new ATOM 0 HB THR B 65 26.344 34.319 38.813 1.00 6.95 H new ATOM 0 HG1 THR B 65 26.110 35.699 36.958 1.00 7.01 H new ATOM 0 HG21 THR B 65 24.382 34.123 37.253 1.00 7.35 H new ATOM 0 HG22 THR B 65 23.929 33.711 38.924 1.00 7.35 H new ATOM 0 HG23 THR B 65 23.494 35.300 38.251 1.00 7.35 H new ATOM 2586 N GLN B 66 26.520 35.619 42.352 1.00 7.33 N ATOM 2587 CA GLN B 66 27.693 35.569 43.306 1.00 7.23 C ATOM 2588 C GLN B 66 28.991 34.871 42.833 1.00 6.59 C ATOM 2589 O GLN B 66 28.970 33.722 42.447 1.00 6.56 O ATOM 2590 CB GLN B 66 27.263 34.968 44.638 1.00 7.88 C ATOM 2591 CG GLN B 66 26.506 33.656 44.417 1.00 8.05 C ATOM 2592 CD GLN B 66 25.870 33.207 45.735 1.00 8.63 C ATOM 2593 OE1 GLN B 66 24.699 33.436 45.968 1.00 8.90 O ATOM 2594 NE2 GLN B 66 26.596 32.578 46.619 1.00 9.01 N ATOM 0 H GLN B 66 25.720 36.114 42.745 1.00 7.33 H new ATOM 0 HA GLN B 66 27.976 36.619 43.386 1.00 7.23 H new ATOM 0 HB2 GLN B 66 28.139 34.788 45.262 1.00 7.88 H new ATOM 0 HB3 GLN B 66 26.629 35.674 45.174 1.00 7.88 H new ATOM 0 HG2 GLN B 66 25.737 33.791 43.657 1.00 8.05 H new ATOM 0 HG3 GLN B 66 27.187 32.888 44.049 1.00 8.05 H new ATOM 0 HE21 GLN B 66 27.579 32.384 46.427 1.00 9.01 H new ATOM 0 HE22 GLN B 66 26.180 32.280 47.502 1.00 9.01 H new ATOM 2603 N GLU B 67 30.119 35.552 43.009 1.00 6.16 N ATOM 2604 CA GLU B 67 31.519 35.140 42.606 1.00 5.61 C ATOM 2605 C GLU B 67 31.594 33.787 41.926 1.00 5.28 C ATOM 2606 O GLU B 67 31.362 32.768 42.556 1.00 5.53 O ATOM 2607 CB GLU B 67 32.501 35.340 43.752 1.00 5.93 C ATOM 2608 CG GLU B 67 32.963 36.805 43.730 1.00 6.14 C ATOM 2609 CD GLU B 67 33.847 37.094 44.944 1.00 6.69 C ATOM 2610 OE1 GLU B 67 33.434 36.765 46.044 1.00 7.03 O ATOM 2611 OE2 GLU B 67 34.919 37.646 44.755 1.00 6.96 O ATOM 0 H GLU B 67 30.113 36.466 43.462 1.00 6.16 H new ATOM 0 HA GLU B 67 31.838 35.818 41.815 1.00 5.61 H new ATOM 0 HB2 GLU B 67 32.028 35.104 44.705 1.00 5.93 H new ATOM 0 HB3 GLU B 67 33.354 34.670 43.645 1.00 5.93 H new ATOM 0 HG2 GLU B 67 33.515 37.007 42.812 1.00 6.14 H new ATOM 0 HG3 GLU B 67 32.098 37.468 43.734 1.00 6.14 H new ATOM 2618 N ALA B 68 31.537 33.875 40.603 1.00 4.85 N ATOM 2619 CA ALA B 68 31.141 32.685 39.816 1.00 4.57 C ATOM 2620 C ALA B 68 31.464 32.708 38.311 1.00 4.02 C ATOM 2621 O ALA B 68 32.594 32.411 37.959 1.00 3.55 O ATOM 2622 CB ALA B 68 29.646 32.537 40.104 1.00 5.21 C ATOM 0 H ALA B 68 31.747 34.712 40.060 1.00 4.85 H new ATOM 0 HA ALA B 68 31.737 31.825 40.123 1.00 4.57 H new ATOM 0 HB1 ALA B 68 29.255 31.676 39.562 1.00 5.21 H new ATOM 0 HB2 ALA B 68 29.494 32.393 41.174 1.00 5.21 H new ATOM 0 HB3 ALA B 68 29.122 33.437 39.781 1.00 5.21 H new ATOM 2628 N LEU B 69 30.479 32.874 37.431 1.00 4.23 N ATOM 2629 CA LEU B 69 30.707 32.657 35.962 1.00 3.89 C ATOM 2630 C LEU B 69 31.239 31.229 35.743 1.00 3.44 C ATOM 2631 O LEU B 69 31.498 30.512 36.698 1.00 3.59 O ATOM 2632 CB LEU B 69 31.719 33.684 35.438 1.00 3.61 C ATOM 2633 CG LEU B 69 31.001 34.762 34.616 1.00 3.84 C ATOM 2634 CD1 LEU B 69 31.983 35.881 34.242 1.00 4.26 C ATOM 2635 CD2 LEU B 69 30.416 34.142 33.342 1.00 3.41 C ATOM 0 H LEU B 69 29.529 33.151 37.678 1.00 4.23 H new ATOM 0 HA LEU B 69 29.770 32.782 35.420 1.00 3.89 H new ATOM 0 HB2 LEU B 69 32.247 34.144 36.273 1.00 3.61 H new ATOM 0 HB3 LEU B 69 32.468 33.186 34.823 1.00 3.61 H new ATOM 0 HG LEU B 69 30.194 35.183 35.215 1.00 3.84 H new ATOM 0 HD11 LEU B 69 31.463 36.641 33.659 1.00 4.26 H new ATOM 0 HD12 LEU B 69 32.384 36.332 35.150 1.00 4.26 H new ATOM 0 HD13 LEU B 69 32.800 35.466 33.652 1.00 4.26 H new ATOM 0 HD21 LEU B 69 29.907 34.913 32.763 1.00 3.41 H new ATOM 0 HD22 LEU B 69 31.220 33.710 32.745 1.00 3.41 H new ATOM 0 HD23 LEU B 69 29.704 33.361 33.611 1.00 3.41 H new ATOM 2647 N GLU B 70 31.410 30.830 34.504 1.00 3.32 N ATOM 2648 CA GLU B 70 31.943 29.470 34.180 1.00 3.00 C ATOM 2649 C GLU B 70 33.346 29.638 33.584 1.00 2.48 C ATOM 2650 O GLU B 70 33.569 29.428 32.399 1.00 2.54 O ATOM 2651 CB GLU B 70 30.984 28.772 33.206 1.00 3.45 C ATOM 2652 CG GLU B 70 30.090 27.792 33.970 1.00 3.72 C ATOM 2653 CD GLU B 70 28.810 27.535 33.172 1.00 4.22 C ATOM 2654 OE1 GLU B 70 28.045 28.471 32.998 1.00 4.69 O ATOM 2655 OE2 GLU B 70 28.615 26.408 32.748 1.00 4.49 O ATOM 0 H GLU B 70 31.197 31.404 33.688 1.00 3.32 H new ATOM 0 HA GLU B 70 32.016 28.847 35.071 1.00 3.00 H new ATOM 0 HB2 GLU B 70 30.371 29.512 32.692 1.00 3.45 H new ATOM 0 HB3 GLU B 70 31.551 28.241 32.441 1.00 3.45 H new ATOM 0 HG2 GLU B 70 30.621 26.855 34.137 1.00 3.72 H new ATOM 0 HG3 GLU B 70 29.843 28.198 34.951 1.00 3.72 H new ATOM 2662 N ILE B 71 34.245 30.161 34.391 1.00 2.16 N ATOM 2663 CA ILE B 71 35.604 30.520 33.910 1.00 1.84 C ATOM 2664 C ILE B 71 36.714 30.059 34.866 1.00 1.58 C ATOM 2665 O ILE B 71 37.145 30.770 35.757 1.00 2.03 O ATOM 2666 CB ILE B 71 35.628 32.030 33.650 1.00 1.95 C ATOM 2667 CG1 ILE B 71 36.840 32.334 32.777 1.00 2.02 C ATOM 2668 CG2 ILE B 71 35.640 32.862 34.937 1.00 2.46 C ATOM 2669 CD1 ILE B 71 36.591 31.740 31.384 1.00 1.82 C ATOM 0 H ILE B 71 34.082 30.354 35.379 1.00 2.16 H new ATOM 0 HA ILE B 71 35.815 29.990 32.981 1.00 1.84 H new ATOM 0 HB ILE B 71 34.708 32.314 33.140 1.00 1.95 H new ATOM 0 HG12 ILE B 71 36.998 33.410 32.708 1.00 2.02 H new ATOM 0 HG13 ILE B 71 37.741 31.907 33.216 1.00 2.02 H new ATOM 0 HG21 ILE B 71 35.657 33.922 34.685 1.00 2.46 H new ATOM 0 HG22 ILE B 71 34.746 32.642 35.521 1.00 2.46 H new ATOM 0 HG23 ILE B 71 36.526 32.614 35.522 1.00 2.46 H new ATOM 0 HD11 ILE B 71 37.447 31.946 30.742 1.00 1.82 H new ATOM 0 HD12 ILE B 71 36.452 30.662 31.468 1.00 1.82 H new ATOM 0 HD13 ILE B 71 35.697 32.189 30.952 1.00 1.82 H new ATOM 2681 N ALA B 72 37.244 28.893 34.581 1.00 1.59 N ATOM 2682 CA ALA B 72 38.417 28.338 35.321 1.00 1.63 C ATOM 2683 C ALA B 72 38.801 27.012 34.666 1.00 1.69 C ATOM 2684 O ALA B 72 39.962 26.843 34.331 1.00 1.99 O ATOM 2685 CB ALA B 72 38.095 28.172 36.808 1.00 1.95 C ATOM 0 H ALA B 72 36.897 28.285 33.839 1.00 1.59 H new ATOM 0 HA ALA B 72 39.262 29.024 35.267 1.00 1.63 H new ATOM 0 HB1 ALA B 72 38.964 27.766 37.325 1.00 1.95 H new ATOM 0 HB2 ALA B 72 37.838 29.141 37.235 1.00 1.95 H new ATOM 0 HB3 ALA B 72 37.253 27.490 36.924 1.00 1.95 H new ATOM 2691 N PRO B 73 37.783 26.269 34.280 1.00 1.75 N ATOM 2692 CA PRO B 73 38.023 25.154 33.326 1.00 1.97 C ATOM 2693 C PRO B 73 37.443 25.531 31.951 1.00 1.80 C ATOM 2694 O PRO B 73 36.342 25.131 31.603 1.00 2.13 O ATOM 2695 CB PRO B 73 37.322 23.936 33.933 1.00 2.24 C ATOM 2696 CG PRO B 73 36.442 24.418 35.086 1.00 2.24 C ATOM 2697 CD PRO B 73 36.858 25.857 35.381 1.00 1.89 C ATOM 0 HA PRO B 73 39.081 24.942 33.172 1.00 1.97 H new ATOM 0 HB2 PRO B 73 36.718 23.430 33.180 1.00 2.24 H new ATOM 0 HB3 PRO B 73 38.056 23.214 34.291 1.00 2.24 H new ATOM 0 HG2 PRO B 73 35.387 24.367 34.816 1.00 2.24 H new ATOM 0 HG3 PRO B 73 36.576 23.788 35.965 1.00 2.24 H new ATOM 0 HD2 PRO B 73 35.987 26.512 35.421 1.00 1.89 H new ATOM 0 HD3 PRO B 73 37.353 25.926 36.349 1.00 1.89 H new ATOM 2705 N SER B 74 38.176 26.312 31.181 1.00 1.57 N ATOM 2706 CA SER B 74 37.744 26.737 29.832 1.00 1.39 C ATOM 2707 C SER B 74 36.400 27.451 29.883 1.00 1.43 C ATOM 2708 O SER B 74 36.215 28.227 30.799 1.00 1.88 O ATOM 2709 CB SER B 74 37.741 25.530 28.905 1.00 1.38 C ATOM 2710 OG SER B 74 36.611 24.704 29.153 1.00 1.84 O ATOM 0 H SER B 74 39.087 26.677 31.457 1.00 1.57 H new ATOM 0 HA SER B 74 38.449 27.465 29.431 1.00 1.39 H new ATOM 0 HB2 SER B 74 37.732 25.863 27.867 1.00 1.38 H new ATOM 0 HB3 SER B 74 38.656 24.955 29.047 1.00 1.38 H new ATOM 0 HG SER B 74 36.157 25.007 29.967 1.00 1.84 H new ATOM 2716 N VAL B 75 35.666 27.464 28.786 1.00 1.40 N ATOM 2717 CA VAL B 75 34.386 28.238 28.721 1.00 1.43 C ATOM 2718 C VAL B 75 33.189 27.436 28.185 1.00 1.36 C ATOM 2719 O VAL B 75 32.129 27.523 28.782 1.00 1.54 O ATOM 2720 CB VAL B 75 34.590 29.508 27.894 1.00 1.72 C ATOM 2721 CG1 VAL B 75 35.575 30.415 28.632 1.00 1.73 C ATOM 2722 CG2 VAL B 75 35.197 29.158 26.539 1.00 2.47 C ATOM 0 H VAL B 75 35.906 26.966 27.929 1.00 1.40 H new ATOM 0 HA VAL B 75 34.131 28.491 29.750 1.00 1.43 H new ATOM 0 HB VAL B 75 33.629 30.002 27.751 1.00 1.72 H new ATOM 0 HG11 VAL B 75 35.732 31.327 28.055 1.00 1.73 H new ATOM 0 HG12 VAL B 75 35.171 30.670 29.612 1.00 1.73 H new ATOM 0 HG13 VAL B 75 36.525 29.896 28.756 1.00 1.73 H new ATOM 0 HG21 VAL B 75 35.338 30.069 25.957 1.00 2.47 H new ATOM 0 HG22 VAL B 75 36.160 28.669 26.687 1.00 2.47 H new ATOM 0 HG23 VAL B 75 34.527 28.486 26.003 1.00 2.47 H new ATOM 2732 N GLY B 76 33.310 26.728 27.076 1.00 1.19 N ATOM 2733 CA GLY B 76 32.126 26.009 26.488 1.00 1.21 C ATOM 2734 C GLY B 76 32.502 25.467 25.105 1.00 1.12 C ATOM 2735 O GLY B 76 33.672 25.435 24.753 1.00 1.21 O ATOM 0 H GLY B 76 34.180 26.619 26.554 1.00 1.19 H new ATOM 0 HA2 GLY B 76 31.820 25.192 27.141 1.00 1.21 H new ATOM 0 HA3 GLY B 76 31.277 26.687 26.407 1.00 1.21 H new ATOM 2739 N VAL B 77 31.514 25.097 24.319 1.00 1.32 N ATOM 2740 CA VAL B 77 31.765 24.603 22.929 1.00 1.28 C ATOM 2741 C VAL B 77 30.907 25.389 21.935 1.00 1.10 C ATOM 2742 O VAL B 77 29.761 25.703 22.210 1.00 1.26 O ATOM 2743 CB VAL B 77 31.449 23.111 22.813 1.00 1.62 C ATOM 2744 CG1 VAL B 77 32.001 22.591 21.484 1.00 1.47 C ATOM 2745 CG2 VAL B 77 32.114 22.349 23.961 1.00 2.71 C ATOM 0 H VAL B 77 30.531 25.118 24.589 1.00 1.32 H new ATOM 0 HA VAL B 77 32.820 24.752 22.699 1.00 1.28 H new ATOM 0 HB VAL B 77 30.370 22.963 22.859 1.00 1.62 H new ATOM 0 HG11 VAL B 77 31.782 21.527 21.390 1.00 1.47 H new ATOM 0 HG12 VAL B 77 31.535 23.132 20.660 1.00 1.47 H new ATOM 0 HG13 VAL B 77 33.080 22.743 21.454 1.00 1.47 H new ATOM 0 HG21 VAL B 77 31.885 21.287 23.873 1.00 2.71 H new ATOM 0 HG22 VAL B 77 33.194 22.493 23.916 1.00 2.71 H new ATOM 0 HG23 VAL B 77 31.737 22.724 24.913 1.00 2.71 H new ATOM 2755 N SER B 78 31.457 25.638 20.770 1.00 0.95 N ATOM 2756 CA SER B 78 30.722 26.327 19.666 1.00 0.89 C ATOM 2757 C SER B 78 30.707 25.372 18.475 1.00 0.81 C ATOM 2758 O SER B 78 31.755 24.891 18.076 1.00 0.87 O ATOM 2759 CB SER B 78 31.441 27.621 19.280 1.00 0.98 C ATOM 2760 OG SER B 78 30.953 28.687 20.081 1.00 1.54 O ATOM 0 H SER B 78 32.416 25.383 20.534 1.00 0.95 H new ATOM 0 HA SER B 78 29.710 26.583 19.978 1.00 0.89 H new ATOM 0 HB2 SER B 78 32.516 27.509 19.420 1.00 0.98 H new ATOM 0 HB3 SER B 78 31.278 27.840 18.225 1.00 0.98 H new ATOM 0 HG SER B 78 31.413 29.517 19.837 1.00 1.54 H new ATOM 2766 N VAL B 79 29.530 24.981 18.044 1.00 0.76 N ATOM 2767 CA VAL B 79 29.405 23.885 17.035 1.00 0.71 C ATOM 2768 C VAL B 79 28.389 24.247 15.951 1.00 0.72 C ATOM 2769 O VAL B 79 27.381 24.877 16.216 1.00 0.82 O ATOM 2770 CB VAL B 79 28.975 22.619 17.780 1.00 0.70 C ATOM 2771 CG1 VAL B 79 28.873 21.427 16.826 1.00 1.10 C ATOM 2772 CG2 VAL B 79 30.018 22.316 18.857 1.00 1.03 C ATOM 0 H VAL B 79 28.643 25.380 18.353 1.00 0.76 H new ATOM 0 HA VAL B 79 30.360 23.727 16.533 1.00 0.71 H new ATOM 0 HB VAL B 79 27.994 22.783 18.225 1.00 0.70 H new ATOM 0 HG11 VAL B 79 28.566 20.541 17.382 1.00 1.10 H new ATOM 0 HG12 VAL B 79 28.137 21.643 16.052 1.00 1.10 H new ATOM 0 HG13 VAL B 79 29.844 21.247 16.364 1.00 1.10 H new ATOM 0 HG21 VAL B 79 29.729 21.416 19.400 1.00 1.03 H new ATOM 0 HG22 VAL B 79 30.990 22.161 18.389 1.00 1.03 H new ATOM 0 HG23 VAL B 79 30.079 23.155 19.551 1.00 1.03 H new ATOM 2782 N LYS B 80 28.677 23.818 14.746 1.00 0.73 N ATOM 2783 CA LYS B 80 27.793 24.064 13.573 1.00 0.80 C ATOM 2784 C LYS B 80 27.506 22.733 12.856 1.00 0.76 C ATOM 2785 O LYS B 80 28.425 22.130 12.333 1.00 0.74 O ATOM 2786 CB LYS B 80 28.510 25.011 12.609 1.00 0.95 C ATOM 2787 CG LYS B 80 28.321 26.459 13.070 1.00 1.09 C ATOM 2788 CD LYS B 80 27.071 27.058 12.414 1.00 1.64 C ATOM 2789 CE LYS B 80 27.381 28.456 11.871 1.00 2.07 C ATOM 2790 NZ LYS B 80 28.403 28.361 10.789 1.00 2.85 N ATOM 0 H LYS B 80 29.520 23.289 14.525 1.00 0.73 H new ATOM 0 HA LYS B 80 26.853 24.505 13.904 1.00 0.80 H new ATOM 0 HB2 LYS B 80 29.572 24.768 12.568 1.00 0.95 H new ATOM 0 HB3 LYS B 80 28.115 24.886 11.601 1.00 0.95 H new ATOM 0 HG2 LYS B 80 28.225 26.494 14.155 1.00 1.09 H new ATOM 0 HG3 LYS B 80 29.198 27.050 12.808 1.00 1.09 H new ATOM 0 HD2 LYS B 80 26.731 26.412 11.605 1.00 1.64 H new ATOM 0 HD3 LYS B 80 26.260 27.113 13.141 1.00 1.64 H new ATOM 0 HE2 LYS B 80 26.471 28.917 11.486 1.00 2.07 H new ATOM 0 HE3 LYS B 80 27.747 29.096 12.674 1.00 2.07 H new ATOM 0 HZ1 LYS B 80 28.237 29.111 10.088 1.00 2.85 H new ATOM 0 HZ2 LYS B 80 29.353 28.473 11.198 1.00 2.85 H new ATOM 0 HZ3 LYS B 80 28.333 27.433 10.326 1.00 2.85 H new ATOM 2804 N PRO B 81 26.236 22.399 12.740 1.00 0.78 N ATOM 2805 CA PRO B 81 25.831 21.296 11.816 1.00 0.78 C ATOM 2806 C PRO B 81 25.314 21.925 10.517 1.00 0.84 C ATOM 2807 O PRO B 81 25.584 23.089 10.255 1.00 0.89 O ATOM 2808 CB PRO B 81 24.711 20.527 12.524 1.00 0.79 C ATOM 2809 CG PRO B 81 24.556 21.126 13.927 1.00 0.79 C ATOM 2810 CD PRO B 81 25.442 22.373 14.000 1.00 0.78 C ATOM 0 HA PRO B 81 26.657 20.627 11.575 1.00 0.78 H new ATOM 0 HB2 PRO B 81 23.778 20.609 11.967 1.00 0.79 H new ATOM 0 HB3 PRO B 81 24.953 19.466 12.585 1.00 0.79 H new ATOM 0 HG2 PRO B 81 23.515 21.385 14.120 1.00 0.79 H new ATOM 0 HG3 PRO B 81 24.851 20.402 14.687 1.00 0.79 H new ATOM 0 HD2 PRO B 81 24.837 23.274 14.096 1.00 0.78 H new ATOM 0 HD3 PRO B 81 26.096 22.334 14.871 1.00 0.78 H new ATOM 2818 N GLY B 82 24.530 21.192 9.756 1.00 0.89 N ATOM 2819 CA GLY B 82 23.903 21.778 8.527 1.00 0.99 C ATOM 2820 C GLY B 82 23.622 20.706 7.475 1.00 1.12 C ATOM 2821 O GLY B 82 23.123 19.661 7.814 1.00 1.14 O ATOM 0 H GLY B 82 24.299 20.215 9.934 1.00 0.89 H new ATOM 0 HA2 GLY B 82 22.973 22.278 8.795 1.00 0.99 H new ATOM 0 HA3 GLY B 82 24.563 22.537 8.107 1.00 0.99 H new ATOM 2825 N GLU B 83 23.828 21.062 6.224 1.00 1.30 N ATOM 2826 CA GLU B 83 23.554 20.237 5.001 1.00 1.49 C ATOM 2827 C GLU B 83 22.264 19.429 5.138 1.00 1.41 C ATOM 2828 O GLU B 83 21.218 19.836 4.666 1.00 1.41 O ATOM 2829 CB GLU B 83 24.730 19.309 4.629 1.00 1.68 C ATOM 2830 CG GLU B 83 25.671 19.020 5.805 1.00 1.67 C ATOM 2831 CD GLU B 83 26.672 17.941 5.386 1.00 1.99 C ATOM 2832 OE1 GLU B 83 26.244 16.821 5.161 1.00 2.39 O ATOM 2833 OE2 GLU B 83 27.852 18.246 5.313 1.00 2.39 O ATOM 0 H GLU B 83 24.211 21.978 5.989 1.00 1.30 H new ATOM 0 HA GLU B 83 23.431 20.950 4.186 1.00 1.49 H new ATOM 0 HB2 GLU B 83 24.334 18.367 4.250 1.00 1.68 H new ATOM 0 HB3 GLU B 83 25.301 19.764 3.820 1.00 1.68 H new ATOM 0 HG2 GLU B 83 26.197 19.928 6.099 1.00 1.67 H new ATOM 0 HG3 GLU B 83 25.100 18.688 6.672 1.00 1.67 H new ATOM 2840 N SER B 84 22.360 18.335 5.836 1.00 1.37 N ATOM 2841 CA SER B 84 21.174 17.474 6.136 1.00 1.39 C ATOM 2842 C SER B 84 20.212 18.279 7.014 1.00 1.16 C ATOM 2843 O SER B 84 19.139 18.675 6.584 1.00 1.13 O ATOM 2844 CB SER B 84 21.631 16.222 6.886 1.00 1.51 C ATOM 2845 OG SER B 84 22.281 15.340 5.981 1.00 1.94 O ATOM 0 H SER B 84 23.237 17.988 6.225 1.00 1.37 H new ATOM 0 HA SER B 84 20.679 17.172 5.213 1.00 1.39 H new ATOM 0 HB2 SER B 84 22.309 16.496 7.694 1.00 1.51 H new ATOM 0 HB3 SER B 84 20.775 15.726 7.343 1.00 1.51 H new ATOM 0 HG SER B 84 22.576 14.538 6.461 1.00 1.94 H new ATOM 2851 N LEU B 85 20.650 18.576 8.216 1.00 1.05 N ATOM 2852 CA LEU B 85 19.864 19.405 9.182 1.00 0.89 C ATOM 2853 C LEU B 85 19.382 20.697 8.507 1.00 0.82 C ATOM 2854 O LEU B 85 18.219 21.046 8.599 1.00 0.81 O ATOM 2855 CB LEU B 85 20.761 19.764 10.371 1.00 0.83 C ATOM 2856 CG LEU B 85 20.917 18.562 11.308 1.00 0.82 C ATOM 2857 CD1 LEU B 85 22.075 17.680 10.838 1.00 0.88 C ATOM 2858 CD2 LEU B 85 21.214 19.061 12.724 1.00 0.81 C ATOM 0 H LEU B 85 21.552 18.266 8.577 1.00 1.05 H new ATOM 0 HA LEU B 85 18.997 18.837 9.519 1.00 0.89 H new ATOM 0 HB2 LEU B 85 21.740 20.082 10.012 1.00 0.83 H new ATOM 0 HB3 LEU B 85 20.332 20.605 10.917 1.00 0.83 H new ATOM 0 HG LEU B 85 19.994 17.982 11.301 1.00 0.82 H new ATOM 0 HD11 LEU B 85 22.179 16.828 11.510 1.00 0.88 H new ATOM 0 HD12 LEU B 85 21.874 17.323 9.828 1.00 0.88 H new ATOM 0 HD13 LEU B 85 22.998 18.259 10.841 1.00 0.88 H new ATOM 0 HD21 LEU B 85 21.326 18.209 13.394 1.00 0.81 H new ATOM 0 HD22 LEU B 85 22.136 19.642 12.719 1.00 0.81 H new ATOM 0 HD23 LEU B 85 20.392 19.688 13.069 1.00 0.81 H new ATOM 2870 N LYS B 86 20.268 21.372 7.808 1.00 0.85 N ATOM 2871 CA LYS B 86 19.932 22.650 7.098 1.00 0.84 C ATOM 2872 C LYS B 86 18.638 22.512 6.287 1.00 0.88 C ATOM 2873 O LYS B 86 17.659 23.181 6.568 1.00 0.93 O ATOM 2874 CB LYS B 86 21.074 23.012 6.146 1.00 1.04 C ATOM 2875 CG LYS B 86 21.209 24.536 6.047 1.00 1.12 C ATOM 2876 CD LYS B 86 22.672 24.943 6.256 1.00 1.39 C ATOM 2877 CE LYS B 86 22.936 26.315 5.627 1.00 1.48 C ATOM 2878 NZ LYS B 86 24.216 26.276 4.864 1.00 1.98 N ATOM 0 H LYS B 86 21.239 21.080 7.698 1.00 0.85 H new ATOM 0 HA LYS B 86 19.792 23.430 7.847 1.00 0.84 H new ATOM 0 HB2 LYS B 86 22.008 22.578 6.503 1.00 1.04 H new ATOM 0 HB3 LYS B 86 20.884 22.590 5.159 1.00 1.04 H new ATOM 0 HG2 LYS B 86 20.863 24.878 5.072 1.00 1.12 H new ATOM 0 HG3 LYS B 86 20.578 25.015 6.796 1.00 1.12 H new ATOM 0 HD2 LYS B 86 22.900 24.974 7.322 1.00 1.39 H new ATOM 0 HD3 LYS B 86 23.331 24.198 5.811 1.00 1.39 H new ATOM 0 HE2 LYS B 86 22.114 26.587 4.965 1.00 1.48 H new ATOM 0 HE3 LYS B 86 22.986 27.079 6.403 1.00 1.48 H new ATOM 0 HZ1 LYS B 86 24.394 27.208 4.437 1.00 1.98 H new ATOM 0 HZ2 LYS B 86 24.997 26.035 5.508 1.00 1.98 H new ATOM 0 HZ3 LYS B 86 24.151 25.558 4.114 1.00 1.98 H new ATOM 2892 N LYS B 87 18.648 21.649 5.294 1.00 0.95 N ATOM 2893 CA LYS B 87 17.453 21.411 4.421 1.00 1.06 C ATOM 2894 C LYS B 87 16.215 21.131 5.280 1.00 1.05 C ATOM 2895 O LYS B 87 15.101 21.393 4.859 1.00 1.17 O ATOM 2896 CB LYS B 87 17.730 20.206 3.513 1.00 1.13 C ATOM 2897 CG LYS B 87 18.054 20.684 2.095 1.00 1.29 C ATOM 2898 CD LYS B 87 19.063 19.731 1.455 1.00 1.42 C ATOM 2899 CE LYS B 87 18.315 18.592 0.760 1.00 1.89 C ATOM 2900 NZ LYS B 87 17.747 19.088 -0.526 1.00 2.44 N ATOM 0 H LYS B 87 19.461 21.084 5.047 1.00 0.95 H new ATOM 0 HA LYS B 87 17.267 22.299 3.817 1.00 1.06 H new ATOM 0 HB2 LYS B 87 18.563 19.625 3.909 1.00 1.13 H new ATOM 0 HB3 LYS B 87 16.862 19.547 3.494 1.00 1.13 H new ATOM 0 HG2 LYS B 87 17.144 20.723 1.496 1.00 1.29 H new ATOM 0 HG3 LYS B 87 18.460 21.695 2.124 1.00 1.29 H new ATOM 0 HD2 LYS B 87 19.681 20.268 0.735 1.00 1.42 H new ATOM 0 HD3 LYS B 87 19.734 19.330 2.215 1.00 1.42 H new ATOM 0 HE2 LYS B 87 18.991 17.758 0.574 1.00 1.89 H new ATOM 0 HE3 LYS B 87 17.518 18.219 1.403 1.00 1.89 H new ATOM 0 HZ1 LYS B 87 17.526 18.280 -1.143 1.00 2.44 H new ATOM 0 HZ2 LYS B 87 16.878 19.627 -0.337 1.00 2.44 H new ATOM 0 HZ3 LYS B 87 18.440 19.704 -0.997 1.00 2.44 H new ATOM 2914 N ALA B 88 16.424 20.552 6.440 1.00 0.98 N ATOM 2915 CA ALA B 88 15.297 20.184 7.351 1.00 1.02 C ATOM 2916 C ALA B 88 14.565 21.436 7.864 1.00 1.08 C ATOM 2917 O ALA B 88 13.401 21.622 7.559 1.00 1.19 O ATOM 2918 CB ALA B 88 15.851 19.372 8.527 1.00 0.93 C ATOM 0 H ALA B 88 17.349 20.315 6.799 1.00 0.98 H new ATOM 0 HA ALA B 88 14.575 19.585 6.796 1.00 1.02 H new ATOM 0 HB1 ALA B 88 15.036 19.099 9.197 1.00 0.93 H new ATOM 0 HB2 ALA B 88 16.330 18.468 8.151 1.00 0.93 H new ATOM 0 HB3 ALA B 88 16.582 19.971 9.070 1.00 0.93 H new ATOM 2924 N ALA B 89 15.261 22.314 8.559 1.00 1.06 N ATOM 2925 CA ALA B 89 14.652 23.552 9.164 1.00 1.15 C ATOM 2926 C ALA B 89 13.963 24.443 8.126 1.00 1.25 C ATOM 2927 O ALA B 89 13.236 25.347 8.502 1.00 1.39 O ATOM 2928 CB ALA B 89 15.741 24.314 9.921 1.00 1.19 C ATOM 0 H ALA B 89 16.261 22.219 8.737 1.00 1.06 H new ATOM 0 HA ALA B 89 13.865 23.247 9.854 1.00 1.15 H new ATOM 0 HB1 ALA B 89 15.314 25.214 10.365 1.00 1.19 H new ATOM 0 HB2 ALA B 89 16.149 23.680 10.708 1.00 1.19 H new ATOM 0 HB3 ALA B 89 16.537 24.593 9.231 1.00 1.19 H new ATOM 2934 N GLU B 90 14.166 24.192 6.853 1.00 1.26 N ATOM 2935 CA GLU B 90 13.525 24.991 5.765 1.00 1.37 C ATOM 2936 C GLU B 90 12.026 25.213 5.996 1.00 1.40 C ATOM 2937 O GLU B 90 11.596 26.349 5.954 1.00 1.48 O ATOM 2938 CB GLU B 90 13.703 24.250 4.439 1.00 1.52 C ATOM 2939 CG GLU B 90 15.189 24.193 4.096 1.00 1.69 C ATOM 2940 CD GLU B 90 15.369 23.644 2.680 1.00 1.83 C ATOM 2941 OE1 GLU B 90 14.873 22.561 2.419 1.00 2.42 O ATOM 2942 OE2 GLU B 90 15.987 24.324 1.876 1.00 2.07 O ATOM 0 H GLU B 90 14.769 23.442 6.516 1.00 1.26 H new ATOM 0 HA GLU B 90 14.008 25.968 5.752 1.00 1.37 H new ATOM 0 HB2 GLU B 90 13.295 23.242 4.514 1.00 1.52 H new ATOM 0 HB3 GLU B 90 13.153 24.759 3.647 1.00 1.52 H new ATOM 0 HG2 GLU B 90 15.628 25.188 4.169 1.00 1.69 H new ATOM 0 HG3 GLU B 90 15.714 23.560 4.812 1.00 1.69 H new ATOM 2949 N GLY B 91 11.244 24.162 5.865 1.00 1.41 N ATOM 2950 CA GLY B 91 9.761 24.324 5.700 1.00 1.48 C ATOM 2951 C GLY B 91 8.844 23.884 6.857 1.00 1.49 C ATOM 2952 O GLY B 91 7.655 23.826 6.581 1.00 1.64 O ATOM 0 H GLY B 91 11.572 23.196 5.865 1.00 1.41 H new ATOM 0 HA2 GLY B 91 9.562 25.377 5.500 1.00 1.48 H new ATOM 0 HA3 GLY B 91 9.463 23.769 4.810 1.00 1.48 H new ATOM 2956 N LEU B 92 9.304 23.419 8.016 1.00 1.37 N ATOM 2957 CA LEU B 92 8.348 22.761 8.980 1.00 1.45 C ATOM 2958 C LEU B 92 8.027 23.517 10.274 1.00 1.55 C ATOM 2959 O LEU B 92 6.855 23.592 10.605 1.00 1.84 O ATOM 2960 CB LEU B 92 8.850 21.346 9.279 1.00 1.37 C ATOM 2961 CG LEU B 92 7.794 20.304 8.884 1.00 1.44 C ATOM 2962 CD1 LEU B 92 7.480 20.408 7.384 1.00 2.09 C ATOM 2963 CD2 LEU B 92 8.313 18.899 9.205 1.00 1.96 C ATOM 0 H LEU B 92 10.275 23.467 8.324 1.00 1.37 H new ATOM 0 HA LEU B 92 7.386 22.754 8.468 1.00 1.45 H new ATOM 0 HB2 LEU B 92 9.775 21.159 8.733 1.00 1.37 H new ATOM 0 HB3 LEU B 92 9.082 21.253 10.340 1.00 1.37 H new ATOM 0 HG LEU B 92 6.882 20.493 9.450 1.00 1.44 H new ATOM 0 HD11 LEU B 92 6.730 19.664 7.117 1.00 2.09 H new ATOM 0 HD12 LEU B 92 7.098 21.404 7.160 1.00 2.09 H new ATOM 0 HD13 LEU B 92 8.389 20.230 6.809 1.00 2.09 H new ATOM 0 HD21 LEU B 92 7.562 18.161 8.924 1.00 1.96 H new ATOM 0 HD22 LEU B 92 9.231 18.714 8.647 1.00 1.96 H new ATOM 0 HD23 LEU B 92 8.516 18.821 10.273 1.00 1.96 H new ATOM 2975 N LYS B 93 8.974 24.171 10.916 1.00 1.36 N ATOM 2976 CA LYS B 93 8.636 25.073 12.056 1.00 1.51 C ATOM 2977 C LYS B 93 8.901 26.508 11.567 1.00 1.35 C ATOM 2978 O LYS B 93 9.102 27.407 12.345 1.00 1.36 O ATOM 2979 CB LYS B 93 9.543 24.663 13.224 1.00 1.57 C ATOM 2980 CG LYS B 93 9.515 25.707 14.333 1.00 1.41 C ATOM 2981 CD LYS B 93 9.616 25.045 15.710 1.00 1.40 C ATOM 2982 CE LYS B 93 8.289 24.363 16.047 1.00 1.44 C ATOM 2983 NZ LYS B 93 8.406 23.665 17.358 1.00 1.50 N ATOM 0 H LYS B 93 9.968 24.114 10.693 1.00 1.36 H new ATOM 0 HA LYS B 93 7.601 25.009 12.391 1.00 1.51 H new ATOM 0 HB2 LYS B 93 9.220 23.700 13.619 1.00 1.57 H new ATOM 0 HB3 LYS B 93 10.565 24.534 12.867 1.00 1.57 H new ATOM 0 HG2 LYS B 93 10.340 26.407 14.200 1.00 1.41 H new ATOM 0 HG3 LYS B 93 8.593 26.286 14.270 1.00 1.41 H new ATOM 0 HD2 LYS B 93 10.424 24.314 15.715 1.00 1.40 H new ATOM 0 HD3 LYS B 93 9.856 25.791 16.467 1.00 1.40 H new ATOM 0 HE2 LYS B 93 7.488 25.102 16.087 1.00 1.44 H new ATOM 0 HE3 LYS B 93 8.026 23.650 15.266 1.00 1.44 H new ATOM 0 HZ1 LYS B 93 7.503 23.202 17.586 1.00 1.50 H new ATOM 0 HZ2 LYS B 93 9.159 22.949 17.304 1.00 1.50 H new ATOM 0 HZ3 LYS B 93 8.638 24.356 18.100 1.00 1.50 H new ATOM 2997 N TYR B 94 9.125 26.631 10.285 1.00 1.29 N ATOM 2998 CA TYR B 94 9.839 27.772 9.686 1.00 1.23 C ATOM 2999 C TYR B 94 8.924 28.972 9.420 1.00 1.57 C ATOM 3000 O TYR B 94 9.430 30.054 9.199 1.00 1.79 O ATOM 3001 CB TYR B 94 10.492 27.228 8.403 1.00 1.14 C ATOM 3002 CG TYR B 94 10.927 28.390 7.574 1.00 1.40 C ATOM 3003 CD1 TYR B 94 11.774 29.316 8.163 1.00 1.64 C ATOM 3004 CD2 TYR B 94 10.096 28.743 6.523 1.00 1.77 C ATOM 3005 CE1 TYR B 94 11.794 30.633 7.705 1.00 1.99 C ATOM 3006 CE2 TYR B 94 10.195 30.025 5.996 1.00 2.15 C ATOM 3007 CZ TYR B 94 11.050 30.973 6.582 1.00 2.18 C ATOM 3008 OH TYR B 94 11.064 32.286 6.163 1.00 2.64 O ATOM 0 H TYR B 94 8.819 25.940 9.600 1.00 1.29 H new ATOM 0 HA TYR B 94 10.589 28.166 10.372 1.00 1.23 H new ATOM 0 HB2 TYR B 94 11.345 26.596 8.649 1.00 1.14 H new ATOM 0 HB3 TYR B 94 9.786 26.609 7.850 1.00 1.14 H new ATOM 0 HD1 TYR B 94 12.418 29.017 8.977 1.00 1.64 H new ATOM 0 HD2 TYR B 94 9.385 28.036 6.121 1.00 1.77 H new ATOM 0 HE1 TYR B 94 12.381 31.380 8.218 1.00 1.99 H new ATOM 0 HE2 TYR B 94 9.610 30.295 5.129 1.00 2.15 H new ATOM 0 HH TYR B 94 11.991 32.580 6.039 1.00 2.64 H new ATOM 3018 N GLU B 95 7.692 28.751 9.077 1.00 1.78 N ATOM 3019 CA GLU B 95 6.842 29.939 8.710 1.00 2.20 C ATOM 3020 C GLU B 95 6.641 30.823 9.962 1.00 2.39 C ATOM 3021 O GLU B 95 6.336 31.994 9.825 1.00 2.63 O ATOM 3022 CB GLU B 95 5.520 29.607 8.020 1.00 2.50 C ATOM 3023 CG GLU B 95 5.542 28.219 7.377 1.00 2.19 C ATOM 3024 CD GLU B 95 4.279 28.014 6.537 1.00 2.49 C ATOM 3025 OE1 GLU B 95 4.028 28.834 5.669 1.00 2.92 O ATOM 3026 OE2 GLU B 95 3.587 27.036 6.771 1.00 2.82 O ATOM 0 H GLU B 95 7.237 27.839 9.031 1.00 1.78 H new ATOM 0 HA GLU B 95 7.389 30.490 7.946 1.00 2.20 H new ATOM 0 HB2 GLU B 95 4.709 29.657 8.747 1.00 2.50 H new ATOM 0 HB3 GLU B 95 5.311 30.357 7.257 1.00 2.50 H new ATOM 0 HG2 GLU B 95 6.427 28.113 6.750 1.00 2.19 H new ATOM 0 HG3 GLU B 95 5.604 27.452 8.149 1.00 2.19 H new ATOM 3033 N ASP B 96 6.983 30.328 11.144 1.00 2.37 N ATOM 3034 CA ASP B 96 7.039 31.162 12.396 1.00 2.63 C ATOM 3035 C ASP B 96 8.399 31.849 12.581 1.00 2.24 C ATOM 3036 O ASP B 96 8.733 32.274 13.674 1.00 2.06 O ATOM 3037 CB ASP B 96 6.745 30.251 13.598 1.00 3.00 C ATOM 3038 CG ASP B 96 5.388 30.600 14.217 1.00 3.57 C ATOM 3039 OD1 ASP B 96 4.395 30.056 13.765 1.00 3.90 O ATOM 3040 OD2 ASP B 96 5.371 31.389 15.147 1.00 4.03 O ATOM 0 H ASP B 96 7.232 29.350 11.290 1.00 2.37 H new ATOM 0 HA ASP B 96 6.294 31.954 12.315 1.00 2.63 H new ATOM 0 HB2 ASP B 96 6.749 29.208 13.281 1.00 3.00 H new ATOM 0 HB3 ASP B 96 7.531 30.360 14.345 1.00 3.00 H new ATOM 3045 N PHE B 97 9.228 31.766 11.573 1.00 2.10 N ATOM 3046 CA PHE B 97 10.660 32.141 11.680 1.00 1.72 C ATOM 3047 C PHE B 97 11.012 33.407 10.894 1.00 1.87 C ATOM 3048 O PHE B 97 11.895 34.141 11.307 1.00 1.92 O ATOM 3049 CB PHE B 97 11.426 30.872 11.276 1.00 1.17 C ATOM 3050 CG PHE B 97 11.525 30.036 12.505 1.00 1.29 C ATOM 3051 CD1 PHE B 97 10.372 29.567 13.129 1.00 2.15 C ATOM 3052 CD2 PHE B 97 12.772 29.864 13.064 1.00 1.81 C ATOM 3053 CE1 PHE B 97 10.488 28.859 14.325 1.00 2.98 C ATOM 3054 CE2 PHE B 97 12.904 29.147 14.253 1.00 2.73 C ATOM 3055 CZ PHE B 97 11.759 28.634 14.882 1.00 3.17 C ATOM 0 H PHE B 97 8.954 31.440 10.646 1.00 2.10 H new ATOM 0 HA PHE B 97 10.941 32.441 12.690 1.00 1.72 H new ATOM 0 HB2 PHE B 97 10.903 30.338 10.483 1.00 1.17 H new ATOM 0 HB3 PHE B 97 12.416 31.120 10.894 1.00 1.17 H new ATOM 0 HD1 PHE B 97 9.401 29.749 12.693 1.00 2.15 H new ATOM 0 HD2 PHE B 97 13.644 30.283 12.584 1.00 1.81 H new ATOM 0 HE1 PHE B 97 9.605 28.485 14.821 1.00 2.98 H new ATOM 0 HE2 PHE B 97 13.880 28.988 14.687 1.00 2.73 H new ATOM 0 HZ PHE B 97 11.854 28.066 15.795 1.00 3.17 H new ATOM 3065 N ALA B 98 10.300 33.684 9.827 1.00 2.18 N ATOM 3066 CA ALA B 98 10.530 34.936 9.041 1.00 2.70 C ATOM 3067 C ALA B 98 9.349 35.893 9.221 1.00 2.95 C ATOM 3068 O ALA B 98 9.546 37.079 9.417 1.00 3.17 O ATOM 3069 CB ALA B 98 10.699 34.593 7.564 1.00 3.25 C ATOM 0 H ALA B 98 9.558 33.086 9.463 1.00 2.18 H new ATOM 0 HA ALA B 98 11.436 35.422 9.403 1.00 2.70 H new ATOM 0 HB1 ALA B 98 10.866 35.507 6.995 1.00 3.25 H new ATOM 0 HB2 ALA B 98 11.553 33.927 7.440 1.00 3.25 H new ATOM 0 HB3 ALA B 98 9.798 34.099 7.200 1.00 3.25 H new ATOM 3075 N LYS B 99 8.144 35.369 9.171 1.00 3.11 N ATOM 3076 CA LYS B 99 6.910 36.195 9.352 1.00 3.35 C ATOM 3077 C LYS B 99 6.821 37.260 8.252 1.00 3.23 C ATOM 3078 O LYS B 99 5.730 37.759 8.030 1.00 3.40 O ATOM 3079 CB LYS B 99 6.962 36.864 10.730 1.00 4.07 C ATOM 3080 CG LYS B 99 5.638 36.665 11.468 1.00 4.41 C ATOM 3081 CD LYS B 99 5.527 37.709 12.578 1.00 5.13 C ATOM 3082 CE LYS B 99 6.484 37.350 13.717 1.00 5.83 C ATOM 3083 NZ LYS B 99 6.967 38.600 14.367 1.00 6.46 N ATOM 3084 OXT LYS B 99 7.841 37.567 7.657 1.00 3.50 O ATOM 0 H LYS B 99 7.964 34.378 9.008 1.00 3.11 H new ATOM 0 HA LYS B 99 6.028 35.558 9.285 1.00 3.35 H new ATOM 0 HB2 LYS B 99 7.779 36.443 11.315 1.00 4.07 H new ATOM 0 HB3 LYS B 99 7.167 37.929 10.617 1.00 4.07 H new ATOM 0 HG2 LYS B 99 4.802 36.762 10.775 1.00 4.41 H new ATOM 0 HG3 LYS B 99 5.589 35.661 11.889 1.00 4.41 H new ATOM 0 HD2 LYS B 99 5.766 38.698 12.186 1.00 5.13 H new ATOM 0 HD3 LYS B 99 4.503 37.752 12.950 1.00 5.13 H new ATOM 0 HE2 LYS B 99 5.978 36.719 14.447 1.00 5.83 H new ATOM 0 HE3 LYS B 99 7.328 36.778 13.332 1.00 5.83 H new ATOM 0 HZ1 LYS B 99 7.618 38.359 15.142 1.00 6.46 H new ATOM 0 HZ2 LYS B 99 7.464 39.186 13.666 1.00 6.46 H new ATOM 0 HZ3 LYS B 99 6.156 39.129 14.748 1.00 6.46 H new TER 3098 LYS B 99 END