USER MOD reduce.3.24.130724 H: found=0, std=0, add=1748, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1742 hydrogens (0 hets) HEADER GROWTH FACTOR 16-JAN-96 1KLC TITLE SOLUTION STRUCTURE OF TGF-B1, NMR, MINIMIZED AVERAGE TITLE 2 STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: TRANSFORMING GROWTH FACTOR-BETA 1; COMPND 3 CHAIN: A, B; COMPND 4 SYNONYM: TGF-B1; COMPND 5 ENGINEERED: YES; COMPND 6 OTHER_DETAILS: 1 MM (IN DIMER), PH 4.2 SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 ORGAN: OVARY; SOURCE 6 EXPRESSION_SYSTEM: CRICETULUS GRISEUS; SOURCE 7 EXPRESSION_SYSTEM_COMMON: CHINESE HAMSTER; SOURCE 8 EXPRESSION_SYSTEM_TAXID: 10029 KEYWDS GROWTH FACTOR, MITOGEN, GLYCOPROTEIN EXPDTA SOLUTION NMR AUTHOR A.P.HINCK,S.J.ARCHER,S.W.QIAN,A.B.ROBERTS,M.B.SPORN, AUTHOR 2 J.A.WEATHERBEE,M.L.-S.TSANG,R.LUCAS,B.-L.ZHANG,J.WENKER, AUTHOR 3 D.A.TORCHIA REVDAT 3 24-FEB-09 1KLC 1 VERSN REVDAT 2 01-APR-03 1KLC 1 JRNL REVDAT 1 17-AUG-96 1KLC 0 JRNL AUTH A.P.HINCK,S.J.ARCHER,S.W.QIAN,A.B.ROBERTS, JRNL AUTH 2 M.B.SPORN,J.A.WEATHERBEE,M.L.TSANG,R.LUCAS, JRNL AUTH 3 B.L.ZHANG,J.WENKER,D.A.TORCHIA JRNL TITL TRANSFORMING GROWTH FACTOR BETA 1: JRNL TITL 2 THREE-DIMENSIONAL STRUCTURE IN SOLUTION AND JRNL TITL 3 COMPARISON WITH THE X-RAY STRUCTURE OF JRNL TITL 4 TRANSFORMING GROWTH FACTOR BETA 2. JRNL REF BIOCHEMISTRY V. 35 8517 1996 JRNL REFN ISSN 0006-2960 JRNL PMID 8679613 JRNL DOI 10.1021/BI9604946 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.1 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1KLC 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 : 4.2 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 : XPLOR 3.1 REMARK 210 METHOD USED : NULL REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 33 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: THIS ENTRY CONTAINS MINIMIZED AVERAGE STRUCTURE. 1 MM REMARK 210 (IN DIMER). 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: 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 LEU A 2 66.57 -102.14 REMARK 500 PHE A 8 30.51 -90.00 REMARK 500 SER A 9 -91.07 -123.49 REMARK 500 SER A 10 -158.62 -83.21 REMARK 500 LYS A 13 -37.78 -135.02 REMARK 500 ASN A 14 -146.18 -60.35 REMARK 500 LEU A 20 46.66 -142.72 REMARK 500 PHE A 24 -55.82 -13.92 REMARK 500 TYR A 39 177.64 179.14 REMARK 500 ASN A 42 176.05 52.33 REMARK 500 PHE A 43 -170.26 178.63 REMARK 500 PRO A 47 -160.88 -78.36 REMARK 500 PRO A 49 -154.70 -72.84 REMARK 500 SER A 53 75.61 42.85 REMARK 500 ALA A 75 -175.12 -52.64 REMARK 500 PRO A 76 -161.56 -77.77 REMARK 500 LEU A 83 -169.44 -124.62 REMARK 500 PRO A 85 -162.35 -74.97 REMARK 500 LEU A 86 109.81 -165.19 REMARK 500 ILE A 88 -160.88 -119.64 REMARK 500 VAL A 89 110.52 -164.28 REMARK 500 ARG A 94 -3.38 -140.61 REMARK 500 GLU A 99 -159.14 -132.66 REMARK 500 ARG A 107 13.26 -144.22 REMARK 500 SER A 108 125.14 163.11 REMARK 500 LYS A 110 -141.61 -168.25 REMARK 500 LEU B 2 67.16 -101.63 REMARK 500 ASP B 3 -169.83 -120.80 REMARK 500 PHE B 8 30.42 -90.00 REMARK 500 SER B 9 -91.06 -123.47 REMARK 500 SER B 10 -158.66 -83.21 REMARK 500 LYS B 13 -37.76 -134.98 REMARK 500 ASN B 14 -146.23 -60.33 REMARK 500 LEU B 20 46.71 -142.71 REMARK 500 PHE B 24 -55.76 -13.98 REMARK 500 TYR B 39 177.66 179.12 REMARK 500 ASN B 42 175.97 52.38 REMARK 500 PHE B 43 -171.31 178.20 REMARK 500 PRO B 47 -160.97 -78.50 REMARK 500 PRO B 49 -154.70 -72.85 REMARK 500 SER B 53 75.62 42.74 REMARK 500 ALA B 75 -175.20 -52.66 REMARK 500 PRO B 76 -161.44 -77.79 REMARK 500 LEU B 83 -169.27 -124.45 REMARK 500 PRO B 85 -162.38 -74.98 REMARK 500 LEU B 86 109.81 -165.18 REMARK 500 ILE B 88 -160.80 -119.72 REMARK 500 VAL B 89 110.48 -164.28 REMARK 500 ARG B 94 -3.40 -140.59 REMARK 500 GLU B 99 -159.17 -132.63 REMARK 500 ARG B 107 14.68 -144.57 REMARK 500 SER B 108 128.34 163.64 REMARK 500 LYS B 110 -148.18 -168.52 REMARK 500 CYS B 111 83.02 -155.48 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 18 0.23 SIDE_CHAIN REMARK 500 ARG A 25 0.10 SIDE_CHAIN REMARK 500 ARG A 94 0.24 SIDE_CHAIN REMARK 500 ARG A 107 0.30 SIDE_CHAIN REMARK 500 ARG B 18 0.23 SIDE_CHAIN REMARK 500 ARG B 25 0.10 SIDE_CHAIN REMARK 500 ARG B 94 0.24 SIDE_CHAIN REMARK 500 ARG B 107 0.30 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1KLA RELATED DB: PDB REMARK 900 RELATED ID: 1KLD RELATED DB: PDB DBREF 1KLC A 1 112 UNP P01137 TGFB1_HUMAN 279 390 DBREF 1KLC B 1 112 UNP P01137 TGFB1_HUMAN 279 390 SEQRES 1 A 112 ALA LEU ASP THR ASN TYR CYS PHE SER SER THR GLU LYS SEQRES 2 A 112 ASN CYS CYS VAL ARG GLN LEU TYR ILE ASP PHE ARG LYS SEQRES 3 A 112 ASP LEU GLY TRP LYS TRP ILE HIS GLU PRO LYS GLY TYR SEQRES 4 A 112 HIS ALA ASN PHE CYS LEU GLY PRO CYS PRO TYR ILE TRP SEQRES 5 A 112 SER LEU ASP THR GLN TYR SER LYS VAL LEU ALA LEU TYR SEQRES 6 A 112 ASN GLN HIS ASN PRO GLY ALA SER ALA ALA PRO CYS CYS SEQRES 7 A 112 VAL PRO GLN ALA LEU GLU PRO LEU PRO ILE VAL TYR TYR SEQRES 8 A 112 VAL GLY ARG LYS PRO LYS VAL GLU GLN LEU SER ASN MET SEQRES 9 A 112 ILE VAL ARG SER CYS LYS CYS SER SEQRES 1 B 112 ALA LEU ASP THR ASN TYR CYS PHE SER SER THR GLU LYS SEQRES 2 B 112 ASN CYS CYS VAL ARG GLN LEU TYR ILE ASP PHE ARG LYS SEQRES 3 B 112 ASP LEU GLY TRP LYS TRP ILE HIS GLU PRO LYS GLY TYR SEQRES 4 B 112 HIS ALA ASN PHE CYS LEU GLY PRO CYS PRO TYR ILE TRP SEQRES 5 B 112 SER LEU ASP THR GLN TYR SER LYS VAL LEU ALA LEU TYR SEQRES 6 B 112 ASN GLN HIS ASN PRO GLY ALA SER ALA ALA PRO CYS CYS SEQRES 7 B 112 VAL PRO GLN ALA LEU GLU PRO LEU PRO ILE VAL TYR TYR SEQRES 8 B 112 VAL GLY ARG LYS PRO LYS VAL GLU GLN LEU SER ASN MET SEQRES 9 B 112 ILE VAL ARG SER CYS LYS CYS SER HELIX 1 1 GLN A 57 HIS A 68 1 12 HELIX 2 2 GLN B 57 HIS B 68 1 12 SHEET 1 A 2 CYS A 16 ARG A 18 0 SHEET 2 A 2 PHE A 43 LEU A 45 -1 N LEU A 45 O CYS A 16 SHEET 1 B 2 TYR A 90 VAL A 92 0 SHEET 2 B 2 LYS A 95 LYS A 97 -1 N LYS A 97 O TYR A 90 SHEET 1 C 2 CYS B 16 ARG B 18 0 SHEET 2 C 2 PHE B 43 LEU B 45 -1 N LEU B 45 O CYS B 16 SHEET 1 D 2 TYR B 90 VAL B 92 0 SHEET 2 D 2 LYS B 95 LYS B 97 -1 N LYS B 97 O TYR B 90 SHEET 1 E 2 CYS A 77 ALA A 82 0 SHEET 2 E 2 SER A 108 SER A 112 -1 N SER A 112 O CYS A 77 SHEET 1 F 2 CYS B 77 ALA B 82 0 SHEET 2 F 2 SER B 108 SER B 112 -1 N SER B 112 O CYS B 77 SSBOND *** CYS A 7 CYS A 16 1555 1555 2.02 SSBOND *** CYS A 15 CYS A 78 1555 1555 2.03 SSBOND *** CYS A 44 CYS A 109 1555 1555 2.02 SSBOND *** CYS A 48 CYS A 111 1555 1555 2.02 SSBOND *** CYS A 77 CYS B 77 1555 1555 2.02 SSBOND *** CYS B 7 CYS B 16 1555 1555 2.02 SSBOND *** CYS B 15 CYS B 78 1555 1555 2.03 SSBOND *** CYS B 44 CYS B 109 1555 1555 2.02 SSBOND *** CYS B 48 CYS B 111 1555 1555 2.02 CISPEP 1 GLU A 35 PRO A 36 0 0.06 CISPEP 2 GLU B 35 PRO B 36 0 -0.06 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: B 50 TYR OH : rot 88:sc= 1.19 USER MOD Set 1.2: B 67 GLN : amide:sc= 0.844 K(o=2,f=0.79) USER MOD Set 2.1: B 56 THR OG1 : rot -50:sc= 1.06 USER MOD Set 2.2: B 59 SER OG : rot -124:sc= 1.12 USER MOD Set 3.1: A 56 THR OG1 : rot -49:sc= 1.05 USER MOD Set 3.2: A 59 SER OG : rot -110:sc= 1.11 USER MOD Set 4.1: A 50 TYR OH : rot 88:sc= 1.21 USER MOD Set 4.2: A 67 GLN : amide:sc= 0.973 K(o=2.2,f=0.72) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc=-0.000369 X(o=-0.00037,f=-0.23) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0.00355 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0103 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= 0.334 K(o=0.33,f=-1.9!) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 TYR OH : rot 180:sc= -0.871 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HD1:sc= -2.39! C(o=-2.4!,f=-2.3!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot -95:sc= -1.62 USER MOD Single : A 40 HIS : no HD1:sc= -0.158 K(o=-0.16,f=-0.75) USER MOD Single : A 42 ASN : amide:sc= -1.72 K(o=-1.7,f=-2.6!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -5.63! C(o=-5.6!,f=-13!) USER MOD Single : A 58 TYR OH : rot -179:sc= -7.88! USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -2.76! C(o=-2.8!,f=-2.5!) USER MOD Single : A 68 HIS : no HD1:sc= -3.29! C(o=-3.3!,f=-4.1!) USER MOD Single : A 69 ASN : amide:sc= -0.902 K(o=-0.9,f=-4.2!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -2.2! C(o=-2.2!,f=-6.7!) USER MOD Single : A 90 TYR OH : rot 180:sc= -1.28 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= -2.72! C(o=-2.7!,f=-9.7!) USER MOD Single : A 104 MET CE :methyl -147:sc= -12! (180deg=-17.2!) USER MOD Single : A 108 SER OG : rot -157:sc= -6.01! USER MOD Single : A 110 LYS NZ :NH3+ 172:sc= -2.76! (180deg=-3.06!) USER MOD Single : A 112 SER OG : rot 130:sc= -3.31! USER MOD Single : B 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 4 THR OG1 : rot 180:sc= 0 USER MOD Single : B 5 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : B 6 TYR OH : rot 180:sc= 0 USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 SER OG : rot 180:sc= 0.00346 USER MOD Single : B 11 THR OG1 : rot 180:sc= 0.0243 USER MOD Single : B 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 14 ASN : amide:sc= 0.334 K(o=0.33,f=-1.7!) USER MOD Single : B 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 21 TYR OH : rot 180:sc= -0.885 USER MOD Single : B 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 34 HIS : no HD1:sc= -2.33! C(o=-2.3!,f=-2.4!) USER MOD Single : B 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 TYR OH : rot -93:sc= -1.51 USER MOD Single : B 40 HIS : no HD1:sc= -0.125 K(o=-0.12,f=-0.69) USER MOD Single : B 42 ASN : amide:sc= -1.71 X(o=-1.7,f=-2.1!) USER MOD Single : B 53 SER OG : rot 180:sc= 0 USER MOD Single : B 57 GLN : amide:sc= -5.55! C(o=-5.6!,f=-13!) USER MOD Single : B 58 TYR OH : rot 180:sc= -7.96! USER MOD Single : B 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 65 TYR OH : rot 180:sc= 0 USER MOD Single : B 66 ASN : amide:sc= -2.84! C(o=-2.8!,f=-2.5!) USER MOD Single : B 68 HIS : no HD1:sc= -3.24! C(o=-3.2!,f=-4.2!) USER MOD Single : B 69 ASN : amide:sc= -1.12 K(o=-1.1,f=-4.2!) USER MOD Single : B 73 SER OG : rot 180:sc= 0 USER MOD Single : B 81 GLN : amide:sc= -4.02! C(o=-4!,f=-9!) USER MOD Single : B 90 TYR OH : rot 180:sc= -1.33 USER MOD Single : B 91 TYR OH : rot 180:sc= 0 USER MOD Single : B 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 100 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : B 102 SER OG : rot 180:sc= 0 USER MOD Single : B 103 ASN : amide:sc= -3.16! C(o=-3.2!,f=-11!) USER MOD Single : B 104 MET CE :methyl -147:sc= -12.2! (180deg=-17.6!) USER MOD Single : B 108 SER OG : rot -141:sc= -6.62! USER MOD Single : B 110 LYS NZ :NH3+ -127:sc= -3.48! (180deg=-6.86!) USER MOD Single : B 112 SER OG : rot 130:sc= -3.24! USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 6.619 -2.151 -15.180 1.00 1.35 N ATOM 2 CA ALA A 1 7.553 -2.671 -14.142 1.00 1.08 C ATOM 3 C ALA A 1 7.795 -1.590 -13.085 1.00 0.97 C ATOM 4 O ALA A 1 8.521 -0.642 -13.308 1.00 1.06 O ATOM 5 CB ALA A 1 8.883 -3.050 -14.796 1.00 1.42 C ATOM 0 H1 ALA A 1 6.454 -2.885 -15.898 1.00 1.35 H new ATOM 0 H2 ALA A 1 5.715 -1.893 -14.735 1.00 1.35 H new ATOM 0 H3 ALA A 1 7.035 -1.312 -15.632 1.00 1.35 H new ATOM 0 HA ALA A 1 7.116 -3.551 -13.669 1.00 1.08 H new ATOM 0 HB1 ALA A 1 9.566 -3.430 -14.037 1.00 1.42 H new ATOM 0 HB2 ALA A 1 8.712 -3.820 -15.549 1.00 1.42 H new ATOM 0 HB3 ALA A 1 9.320 -2.170 -15.269 1.00 1.42 H new ATOM 13 N LEU A 2 7.191 -1.725 -11.936 1.00 0.86 N ATOM 14 CA LEU A 2 7.387 -0.706 -10.867 1.00 0.76 C ATOM 15 C LEU A 2 8.367 -1.237 -9.826 1.00 0.72 C ATOM 16 O LEU A 2 8.014 -1.481 -8.689 1.00 0.70 O ATOM 17 CB LEU A 2 6.053 -0.411 -10.191 1.00 0.72 C ATOM 18 CG LEU A 2 4.996 -0.112 -11.253 1.00 0.87 C ATOM 19 CD1 LEU A 2 3.721 0.394 -10.576 1.00 0.76 C ATOM 20 CD2 LEU A 2 5.525 0.959 -12.208 1.00 1.10 C ATOM 0 H LEU A 2 6.570 -2.497 -11.692 1.00 0.86 H new ATOM 0 HA LEU A 2 7.783 0.207 -11.312 1.00 0.76 H new ATOM 0 HB2 LEU A 2 5.744 -1.263 -9.586 1.00 0.72 H new ATOM 0 HB3 LEU A 2 6.156 0.439 -9.516 1.00 0.72 H new ATOM 0 HG LEU A 2 4.774 -1.021 -11.812 1.00 0.87 H new ATOM 0 HD11 LEU A 2 2.967 0.607 -11.334 1.00 0.76 H new ATOM 0 HD12 LEU A 2 3.344 -0.368 -9.894 1.00 0.76 H new ATOM 0 HD13 LEU A 2 3.942 1.304 -10.018 1.00 0.76 H new ATOM 0 HD21 LEU A 2 4.772 1.174 -12.967 1.00 1.10 H new ATOM 0 HD22 LEU A 2 5.746 1.868 -11.649 1.00 1.10 H new ATOM 0 HD23 LEU A 2 6.434 0.599 -12.690 1.00 1.10 H new ATOM 32 N ASP A 3 9.595 -1.416 -10.206 1.00 0.74 N ATOM 33 CA ASP A 3 10.607 -1.930 -9.245 1.00 0.73 C ATOM 34 C ASP A 3 11.734 -0.909 -9.097 1.00 0.71 C ATOM 35 O ASP A 3 11.643 0.207 -9.568 1.00 0.72 O ATOM 36 CB ASP A 3 11.182 -3.247 -9.766 1.00 0.81 C ATOM 37 CG ASP A 3 11.360 -3.163 -11.283 1.00 0.86 C ATOM 38 OD1 ASP A 3 10.381 -3.351 -11.986 1.00 1.45 O ATOM 39 OD2 ASP A 3 12.473 -2.911 -11.716 1.00 1.31 O ATOM 0 H ASP A 3 9.946 -1.228 -11.145 1.00 0.74 H new ATOM 0 HA ASP A 3 10.135 -2.096 -8.276 1.00 0.73 H new ATOM 0 HB2 ASP A 3 12.140 -3.452 -9.288 1.00 0.81 H new ATOM 0 HB3 ASP A 3 10.516 -4.072 -9.513 1.00 0.81 H new ATOM 44 N THR A 4 12.797 -1.287 -8.446 1.00 0.71 N ATOM 45 CA THR A 4 13.937 -0.346 -8.263 1.00 0.71 C ATOM 46 C THR A 4 14.809 -0.345 -9.520 1.00 0.78 C ATOM 47 O THR A 4 15.877 0.234 -9.546 1.00 0.80 O ATOM 48 CB THR A 4 14.765 -0.793 -7.057 1.00 0.70 C ATOM 49 OG1 THR A 4 15.691 -1.791 -7.463 1.00 0.76 O ATOM 50 CG2 THR A 4 13.832 -1.361 -5.985 1.00 0.68 C ATOM 0 H THR A 4 12.927 -2.210 -8.031 1.00 0.71 H new ATOM 0 HA THR A 4 13.559 0.662 -8.093 1.00 0.71 H new ATOM 0 HB THR A 4 15.309 0.059 -6.649 1.00 0.70 H new ATOM 0 HG1 THR A 4 16.223 -2.077 -6.691 1.00 0.76 H new ATOM 0 HG21 THR A 4 14.419 -1.681 -5.124 1.00 0.68 H new ATOM 0 HG22 THR A 4 13.123 -0.593 -5.676 1.00 0.68 H new ATOM 0 HG23 THR A 4 13.289 -2.214 -6.391 1.00 0.68 H new ATOM 58 N ASN A 5 14.361 -0.984 -10.567 1.00 0.84 N ATOM 59 CA ASN A 5 15.161 -1.014 -11.822 1.00 0.92 C ATOM 60 C ASN A 5 14.602 0.015 -12.809 1.00 0.95 C ATOM 61 O ASN A 5 15.338 0.742 -13.446 1.00 1.01 O ATOM 62 CB ASN A 5 15.084 -2.411 -12.443 1.00 0.99 C ATOM 63 CG ASN A 5 16.466 -2.819 -12.956 1.00 1.21 C ATOM 64 OD1 ASN A 5 17.163 -2.025 -13.556 1.00 1.87 O ATOM 65 ND2 ASN A 5 16.895 -4.033 -12.744 1.00 1.61 N ATOM 0 H ASN A 5 13.474 -1.487 -10.606 1.00 0.84 H new ATOM 0 HA ASN A 5 16.200 -0.773 -11.596 1.00 0.92 H new ATOM 0 HB2 ASN A 5 14.732 -3.130 -11.703 1.00 0.99 H new ATOM 0 HB3 ASN A 5 14.364 -2.417 -13.262 1.00 0.99 H new ATOM 0 HD21 ASN A 5 17.815 -4.315 -13.082 1.00 1.61 H new ATOM 0 HD22 ASN A 5 16.310 -4.700 -12.240 1.00 1.61 H new ATOM 72 N TYR A 6 13.304 0.078 -12.944 1.00 0.93 N ATOM 73 CA TYR A 6 12.697 1.051 -13.890 1.00 0.97 C ATOM 74 C TYR A 6 12.535 2.409 -13.201 1.00 0.92 C ATOM 75 O TYR A 6 12.427 3.432 -13.846 1.00 1.00 O ATOM 76 CB TYR A 6 11.329 0.526 -14.322 1.00 0.98 C ATOM 77 CG TYR A 6 10.566 1.616 -15.033 1.00 1.01 C ATOM 78 CD1 TYR A 6 10.873 1.939 -16.360 1.00 1.15 C ATOM 79 CD2 TYR A 6 9.550 2.303 -14.361 1.00 0.94 C ATOM 80 CE1 TYR A 6 10.162 2.952 -17.015 1.00 1.19 C ATOM 81 CE2 TYR A 6 8.839 3.316 -15.015 1.00 0.98 C ATOM 82 CZ TYR A 6 9.145 3.640 -16.343 1.00 1.11 C ATOM 83 OH TYR A 6 8.444 4.639 -16.988 1.00 1.17 O ATOM 0 H TYR A 6 12.638 -0.505 -12.437 1.00 0.93 H new ATOM 0 HA TYR A 6 13.340 1.172 -14.762 1.00 0.97 H new ATOM 0 HB2 TYR A 6 11.450 -0.334 -14.980 1.00 0.98 H new ATOM 0 HB3 TYR A 6 10.768 0.185 -13.452 1.00 0.98 H new ATOM 0 HD1 TYR A 6 11.657 1.407 -16.878 1.00 1.15 H new ATOM 0 HD2 TYR A 6 9.314 2.052 -13.337 1.00 0.94 H new ATOM 0 HE1 TYR A 6 10.398 3.202 -18.039 1.00 1.19 H new ATOM 0 HE2 TYR A 6 8.055 3.847 -14.496 1.00 0.98 H new ATOM 0 HH TYR A 6 7.773 5.013 -16.379 1.00 1.17 H new ATOM 93 N CYS A 7 12.517 2.428 -11.896 1.00 0.84 N ATOM 94 CA CYS A 7 12.360 3.723 -11.174 1.00 0.84 C ATOM 95 C CYS A 7 13.740 4.332 -10.913 1.00 0.91 C ATOM 96 O CYS A 7 13.873 5.521 -10.700 1.00 1.02 O ATOM 97 CB CYS A 7 11.640 3.484 -9.845 1.00 0.76 C ATOM 98 SG CYS A 7 9.915 3.038 -10.170 1.00 0.84 S ATOM 0 H CYS A 7 12.604 1.605 -11.300 1.00 0.84 H new ATOM 0 HA CYS A 7 11.772 4.410 -11.782 1.00 0.84 H new ATOM 0 HB2 CYS A 7 12.135 2.688 -9.288 1.00 0.76 H new ATOM 0 HB3 CYS A 7 11.685 4.381 -9.227 1.00 0.76 H new ATOM 103 N PHE A 8 14.768 3.529 -10.932 1.00 0.93 N ATOM 104 CA PHE A 8 16.138 4.065 -10.691 1.00 1.03 C ATOM 105 C PHE A 8 16.764 4.483 -12.023 1.00 1.28 C ATOM 106 O PHE A 8 17.965 4.425 -12.201 1.00 1.41 O ATOM 107 CB PHE A 8 17.005 2.985 -10.037 1.00 1.04 C ATOM 108 CG PHE A 8 16.909 3.085 -8.530 1.00 0.94 C ATOM 109 CD1 PHE A 8 15.866 3.807 -7.932 1.00 0.83 C ATOM 110 CD2 PHE A 8 17.869 2.454 -7.729 1.00 1.10 C ATOM 111 CE1 PHE A 8 15.787 3.897 -6.537 1.00 0.84 C ATOM 112 CE2 PHE A 8 17.788 2.545 -6.335 1.00 1.17 C ATOM 113 CZ PHE A 8 16.747 3.266 -5.739 1.00 1.02 C ATOM 0 H PHE A 8 14.719 2.525 -11.104 1.00 0.93 H new ATOM 0 HA PHE A 8 16.077 4.929 -10.030 1.00 1.03 H new ATOM 0 HB2 PHE A 8 16.680 1.998 -10.365 1.00 1.04 H new ATOM 0 HB3 PHE A 8 18.042 3.100 -10.352 1.00 1.04 H new ATOM 0 HD1 PHE A 8 15.124 4.294 -8.547 1.00 0.83 H new ATOM 0 HD2 PHE A 8 18.672 1.897 -8.188 1.00 1.10 H new ATOM 0 HE1 PHE A 8 14.984 4.454 -6.077 1.00 0.84 H new ATOM 0 HE2 PHE A 8 18.529 2.058 -5.719 1.00 1.17 H new ATOM 0 HZ PHE A 8 16.685 3.335 -4.663 1.00 1.02 H new ATOM 123 N SER A 9 15.961 4.904 -12.962 1.00 1.43 N ATOM 124 CA SER A 9 16.512 5.324 -14.281 1.00 1.71 C ATOM 125 C SER A 9 16.080 6.761 -14.580 1.00 1.86 C ATOM 126 O SER A 9 16.747 7.709 -14.216 1.00 2.17 O ATOM 127 CB SER A 9 15.984 4.394 -15.374 1.00 2.05 C ATOM 128 OG SER A 9 16.978 3.429 -15.690 1.00 2.57 O ATOM 0 H SER A 9 14.947 4.975 -12.872 1.00 1.43 H new ATOM 0 HA SER A 9 17.600 5.270 -14.254 1.00 1.71 H new ATOM 0 HB2 SER A 9 15.074 3.898 -15.037 1.00 2.05 H new ATOM 0 HB3 SER A 9 15.724 4.969 -16.263 1.00 2.05 H new ATOM 0 HG SER A 9 16.642 2.830 -16.389 1.00 2.57 H new ATOM 134 N SER A 10 14.967 6.930 -15.241 1.00 1.98 N ATOM 135 CA SER A 10 14.494 8.306 -15.562 1.00 2.23 C ATOM 136 C SER A 10 13.742 8.880 -14.360 1.00 2.12 C ATOM 137 O SER A 10 13.914 8.441 -13.240 1.00 2.72 O ATOM 138 CB SER A 10 13.559 8.254 -16.771 1.00 2.96 C ATOM 139 OG SER A 10 13.678 9.463 -17.509 1.00 3.63 O ATOM 0 H SER A 10 14.366 6.175 -15.572 1.00 1.98 H new ATOM 0 HA SER A 10 15.350 8.940 -15.792 1.00 2.23 H new ATOM 0 HB2 SER A 10 13.810 7.402 -17.403 1.00 2.96 H new ATOM 0 HB3 SER A 10 12.529 8.115 -16.443 1.00 2.96 H new ATOM 0 HG SER A 10 13.081 9.432 -18.286 1.00 3.63 H new ATOM 145 N THR A 11 12.909 9.860 -14.582 1.00 1.92 N ATOM 146 CA THR A 11 12.147 10.461 -13.451 1.00 2.24 C ATOM 147 C THR A 11 10.718 9.914 -13.451 1.00 1.84 C ATOM 148 O THR A 11 10.142 9.657 -14.489 1.00 2.18 O ATOM 149 CB THR A 11 12.111 11.983 -13.611 1.00 3.00 C ATOM 150 OG1 THR A 11 12.864 12.354 -14.757 1.00 3.45 O ATOM 151 CG2 THR A 11 12.711 12.643 -12.368 1.00 3.87 C ATOM 0 H THR A 11 12.723 10.270 -15.497 1.00 1.92 H new ATOM 0 HA THR A 11 12.634 10.206 -12.509 1.00 2.24 H new ATOM 0 HB THR A 11 11.079 12.312 -13.731 1.00 3.00 H new ATOM 0 HG1 THR A 11 12.841 13.328 -14.862 1.00 3.45 H new ATOM 0 HG21 THR A 11 12.685 13.727 -12.483 1.00 3.87 H new ATOM 0 HG22 THR A 11 12.133 12.357 -11.489 1.00 3.87 H new ATOM 0 HG23 THR A 11 13.743 12.316 -12.245 1.00 3.87 H new ATOM 159 N GLU A 12 10.141 9.735 -12.294 1.00 1.68 N ATOM 160 CA GLU A 12 8.750 9.205 -12.229 1.00 1.40 C ATOM 161 C GLU A 12 8.017 9.844 -11.048 1.00 1.46 C ATOM 162 O GLU A 12 8.624 10.398 -10.154 1.00 1.82 O ATOM 163 CB GLU A 12 8.791 7.687 -12.044 1.00 1.36 C ATOM 164 CG GLU A 12 7.473 7.078 -12.526 1.00 1.52 C ATOM 165 CD GLU A 12 7.216 7.499 -13.974 1.00 2.35 C ATOM 166 OE1 GLU A 12 8.156 7.483 -14.751 1.00 3.07 O ATOM 167 OE2 GLU A 12 6.083 7.830 -14.282 1.00 2.90 O ATOM 0 H GLU A 12 10.573 9.933 -11.391 1.00 1.68 H new ATOM 0 HA GLU A 12 8.226 9.443 -13.154 1.00 1.40 H new ATOM 0 HB2 GLU A 12 9.625 7.264 -12.604 1.00 1.36 H new ATOM 0 HB3 GLU A 12 8.955 7.442 -10.995 1.00 1.36 H new ATOM 0 HG2 GLU A 12 7.514 5.991 -12.454 1.00 1.52 H new ATOM 0 HG3 GLU A 12 6.653 7.409 -11.889 1.00 1.52 H new ATOM 174 N LYS A 13 6.714 9.771 -11.038 1.00 1.44 N ATOM 175 CA LYS A 13 5.943 10.375 -9.914 1.00 1.77 C ATOM 176 C LYS A 13 4.861 9.396 -9.454 1.00 1.48 C ATOM 177 O LYS A 13 4.577 9.277 -8.279 1.00 1.66 O ATOM 178 CB LYS A 13 5.287 11.675 -10.385 1.00 2.30 C ATOM 179 CG LYS A 13 6.194 12.366 -11.405 1.00 2.91 C ATOM 180 CD LYS A 13 5.433 13.514 -12.070 1.00 3.47 C ATOM 181 CE LYS A 13 6.417 14.610 -12.481 1.00 4.16 C ATOM 182 NZ LYS A 13 5.676 15.723 -13.139 1.00 4.61 N ATOM 0 H LYS A 13 6.150 9.320 -11.759 1.00 1.44 H new ATOM 0 HA LYS A 13 6.617 10.588 -9.085 1.00 1.77 H new ATOM 0 HB2 LYS A 13 4.316 11.463 -10.832 1.00 2.30 H new ATOM 0 HB3 LYS A 13 5.110 12.334 -9.535 1.00 2.30 H new ATOM 0 HG2 LYS A 13 7.089 12.746 -10.913 1.00 2.91 H new ATOM 0 HG3 LYS A 13 6.524 11.650 -12.158 1.00 2.91 H new ATOM 0 HD2 LYS A 13 4.894 13.149 -12.944 1.00 3.47 H new ATOM 0 HD3 LYS A 13 4.690 13.918 -11.383 1.00 3.47 H new ATOM 0 HE2 LYS A 13 6.950 14.981 -11.606 1.00 4.16 H new ATOM 0 HE3 LYS A 13 7.165 14.205 -13.162 1.00 4.16 H new ATOM 0 HZ1 LYS A 13 6.345 16.468 -13.418 1.00 4.61 H new ATOM 0 HZ2 LYS A 13 5.187 15.363 -13.983 1.00 4.61 H new ATOM 0 HZ3 LYS A 13 4.978 16.116 -12.475 1.00 4.61 H new ATOM 196 N ASN A 14 4.253 8.694 -10.371 1.00 1.25 N ATOM 197 CA ASN A 14 3.188 7.725 -9.987 1.00 1.03 C ATOM 198 C ASN A 14 3.774 6.664 -9.050 1.00 0.94 C ATOM 199 O ASN A 14 4.649 6.942 -8.255 1.00 1.08 O ATOM 200 CB ASN A 14 2.639 7.051 -11.247 1.00 1.00 C ATOM 201 CG ASN A 14 2.408 8.106 -12.331 1.00 1.17 C ATOM 202 OD1 ASN A 14 3.325 8.484 -13.033 1.00 1.58 O ATOM 203 ND2 ASN A 14 1.212 8.602 -12.497 1.00 1.74 N ATOM 0 H ASN A 14 4.448 8.750 -11.371 1.00 1.25 H new ATOM 0 HA ASN A 14 2.382 8.251 -9.475 1.00 1.03 H new ATOM 0 HB2 ASN A 14 3.340 6.296 -11.603 1.00 1.00 H new ATOM 0 HB3 ASN A 14 1.705 6.537 -11.020 1.00 1.00 H new ATOM 0 HD21 ASN A 14 1.047 9.307 -13.216 1.00 1.74 H new ATOM 0 HD22 ASN A 14 0.442 8.285 -11.908 1.00 1.74 H new ATOM 210 N CYS A 15 3.295 5.450 -9.134 1.00 0.81 N ATOM 211 CA CYS A 15 3.821 4.371 -8.249 1.00 0.87 C ATOM 212 C CYS A 15 5.219 3.968 -8.724 1.00 0.93 C ATOM 213 O CYS A 15 5.390 2.993 -9.428 1.00 1.24 O ATOM 214 CB CYS A 15 2.875 3.164 -8.316 1.00 0.85 C ATOM 215 SG CYS A 15 3.691 1.673 -7.679 1.00 1.11 S ATOM 0 H CYS A 15 2.560 5.160 -9.779 1.00 0.81 H new ATOM 0 HA CYS A 15 3.881 4.725 -7.220 1.00 0.87 H new ATOM 0 HB2 CYS A 15 1.975 3.368 -7.736 1.00 0.85 H new ATOM 0 HB3 CYS A 15 2.559 3.000 -9.346 1.00 0.85 H new ATOM 220 N CYS A 16 6.220 4.709 -8.338 1.00 0.70 N ATOM 221 CA CYS A 16 7.606 4.370 -8.758 1.00 0.75 C ATOM 222 C CYS A 16 8.495 4.296 -7.518 1.00 0.67 C ATOM 223 O CYS A 16 8.594 5.239 -6.756 1.00 0.69 O ATOM 224 CB CYS A 16 8.136 5.453 -9.702 1.00 0.84 C ATOM 225 SG CYS A 16 9.120 4.691 -11.019 1.00 1.19 S ATOM 0 H CYS A 16 6.136 5.537 -7.748 1.00 0.70 H new ATOM 0 HA CYS A 16 7.610 3.410 -9.275 1.00 0.75 H new ATOM 0 HB2 CYS A 16 7.305 6.011 -10.133 1.00 0.84 H new ATOM 0 HB3 CYS A 16 8.745 6.166 -9.147 1.00 0.84 H new ATOM 230 N VAL A 17 9.136 3.182 -7.301 1.00 0.62 N ATOM 231 CA VAL A 17 10.012 3.051 -6.107 1.00 0.55 C ATOM 232 C VAL A 17 11.173 4.042 -6.211 1.00 0.58 C ATOM 233 O VAL A 17 11.874 4.089 -7.200 1.00 0.82 O ATOM 234 CB VAL A 17 10.565 1.629 -6.038 1.00 0.55 C ATOM 235 CG1 VAL A 17 11.588 1.427 -7.150 1.00 0.63 C ATOM 236 CG2 VAL A 17 11.245 1.413 -4.690 1.00 0.49 C ATOM 0 H VAL A 17 9.090 2.357 -7.899 1.00 0.62 H new ATOM 0 HA VAL A 17 9.433 3.263 -5.208 1.00 0.55 H new ATOM 0 HB VAL A 17 9.748 0.918 -6.156 1.00 0.55 H new ATOM 0 HG11 VAL A 17 11.983 0.412 -7.101 1.00 0.63 H new ATOM 0 HG12 VAL A 17 11.110 1.584 -8.117 1.00 0.63 H new ATOM 0 HG13 VAL A 17 12.403 2.140 -7.028 1.00 0.63 H new ATOM 0 HG21 VAL A 17 11.640 0.398 -4.640 1.00 0.49 H new ATOM 0 HG22 VAL A 17 12.061 2.126 -4.576 1.00 0.49 H new ATOM 0 HG23 VAL A 17 10.520 1.560 -3.889 1.00 0.49 H new ATOM 246 N ARG A 18 11.387 4.833 -5.196 1.00 0.54 N ATOM 247 CA ARG A 18 12.506 5.815 -5.243 1.00 0.58 C ATOM 248 C ARG A 18 13.583 5.410 -4.234 1.00 0.51 C ATOM 249 O ARG A 18 13.346 4.619 -3.343 1.00 0.49 O ATOM 250 CB ARG A 18 11.977 7.208 -4.895 1.00 0.66 C ATOM 251 CG ARG A 18 11.425 7.875 -6.157 1.00 0.78 C ATOM 252 CD ARG A 18 10.941 9.286 -5.818 1.00 1.20 C ATOM 253 NE ARG A 18 9.550 9.467 -6.322 1.00 1.08 N ATOM 254 CZ ARG A 18 9.270 10.461 -7.121 1.00 1.33 C ATOM 255 NH1 ARG A 18 10.026 10.697 -8.158 1.00 1.93 N ATOM 256 NH2 ARG A 18 8.234 11.217 -6.883 1.00 1.92 N ATOM 0 H ARG A 18 10.836 4.842 -4.338 1.00 0.54 H new ATOM 0 HA ARG A 18 12.935 5.830 -6.245 1.00 0.58 H new ATOM 0 HB2 ARG A 18 11.195 7.133 -4.139 1.00 0.66 H new ATOM 0 HB3 ARG A 18 12.775 7.816 -4.469 1.00 0.66 H new ATOM 0 HG2 ARG A 18 12.197 7.919 -6.925 1.00 0.78 H new ATOM 0 HG3 ARG A 18 10.603 7.285 -6.563 1.00 0.78 H new ATOM 0 HD2 ARG A 18 10.972 9.444 -4.740 1.00 1.20 H new ATOM 0 HD3 ARG A 18 11.602 10.027 -6.268 1.00 1.20 H new ATOM 0 HE ARG A 18 8.817 8.815 -6.043 1.00 1.08 H new ATOM 0 HH11 ARG A 18 10.835 10.105 -8.344 1.00 1.93 H new ATOM 0 HH12 ARG A 18 9.807 11.473 -8.782 1.00 1.93 H new ATOM 0 HH21 ARG A 18 7.643 11.032 -6.073 1.00 1.92 H new ATOM 0 HH22 ARG A 18 8.015 11.994 -7.507 1.00 1.92 H new ATOM 270 N GLN A 19 14.766 5.947 -4.363 1.00 0.57 N ATOM 271 CA GLN A 19 15.853 5.591 -3.408 1.00 0.54 C ATOM 272 C GLN A 19 15.481 6.095 -2.012 1.00 0.51 C ATOM 273 O GLN A 19 14.977 7.188 -1.852 1.00 0.58 O ATOM 274 CB GLN A 19 17.161 6.245 -3.858 1.00 0.62 C ATOM 275 CG GLN A 19 17.096 7.753 -3.603 1.00 0.73 C ATOM 276 CD GLN A 19 18.362 8.418 -4.144 1.00 1.29 C ATOM 277 OE1 GLN A 19 19.432 8.257 -3.590 1.00 2.11 O ATOM 278 NE2 GLN A 19 18.287 9.165 -5.211 1.00 1.66 N ATOM 0 H GLN A 19 15.026 6.616 -5.088 1.00 0.57 H new ATOM 0 HA GLN A 19 15.981 4.509 -3.383 1.00 0.54 H new ATOM 0 HB2 GLN A 19 18.001 5.810 -3.317 1.00 0.62 H new ATOM 0 HB3 GLN A 19 17.330 6.052 -4.917 1.00 0.62 H new ATOM 0 HG2 GLN A 19 16.215 8.176 -4.086 1.00 0.73 H new ATOM 0 HG3 GLN A 19 16.998 7.948 -2.535 1.00 0.73 H new ATOM 0 HE21 GLN A 19 17.390 9.301 -5.677 1.00 1.66 H new ATOM 0 HE22 GLN A 19 19.126 9.613 -5.580 1.00 1.66 H new ATOM 287 N LEU A 20 15.720 5.307 -0.999 1.00 0.46 N ATOM 288 CA LEU A 20 15.371 5.750 0.379 1.00 0.47 C ATOM 289 C LEU A 20 16.432 5.270 1.368 1.00 0.47 C ATOM 290 O LEU A 20 16.117 4.746 2.417 1.00 0.46 O ATOM 291 CB LEU A 20 14.018 5.161 0.779 1.00 0.43 C ATOM 292 CG LEU A 20 13.567 5.770 2.109 1.00 0.49 C ATOM 293 CD1 LEU A 20 13.647 7.294 2.028 1.00 0.60 C ATOM 294 CD2 LEU A 20 12.124 5.352 2.395 1.00 0.47 C ATOM 0 H LEU A 20 16.140 4.380 -1.066 1.00 0.46 H new ATOM 0 HA LEU A 20 15.323 6.839 0.397 1.00 0.47 H new ATOM 0 HB2 LEU A 20 13.278 5.364 0.005 1.00 0.43 H new ATOM 0 HB3 LEU A 20 14.094 4.078 0.871 1.00 0.43 H new ATOM 0 HG LEU A 20 14.217 5.415 2.909 1.00 0.49 H new ATOM 0 HD11 LEU A 20 13.326 7.726 2.976 1.00 0.60 H new ATOM 0 HD12 LEU A 20 14.675 7.594 1.822 1.00 0.60 H new ATOM 0 HD13 LEU A 20 12.998 7.650 1.228 1.00 0.60 H new ATOM 0 HD21 LEU A 20 11.801 5.785 3.342 1.00 0.47 H new ATOM 0 HD22 LEU A 20 11.476 5.708 1.594 1.00 0.47 H new ATOM 0 HD23 LEU A 20 12.065 4.265 2.454 1.00 0.47 H new ATOM 306 N TYR A 21 17.687 5.442 1.060 1.00 0.52 N ATOM 307 CA TYR A 21 18.728 4.987 2.018 1.00 0.57 C ATOM 308 C TYR A 21 18.367 5.502 3.408 1.00 0.64 C ATOM 309 O TYR A 21 18.027 6.655 3.583 1.00 0.69 O ATOM 310 CB TYR A 21 20.098 5.535 1.624 1.00 0.66 C ATOM 311 CG TYR A 21 21.099 5.147 2.687 1.00 0.74 C ATOM 312 CD1 TYR A 21 21.100 5.804 3.925 1.00 0.84 C ATOM 313 CD2 TYR A 21 22.020 4.123 2.439 1.00 0.75 C ATOM 314 CE1 TYR A 21 22.021 5.439 4.914 1.00 0.93 C ATOM 315 CE2 TYR A 21 22.942 3.757 3.427 1.00 0.85 C ATOM 316 CZ TYR A 21 22.943 4.414 4.665 1.00 0.94 C ATOM 317 OH TYR A 21 23.852 4.052 5.638 1.00 1.05 O ATOM 0 H TYR A 21 18.032 5.871 0.201 1.00 0.52 H new ATOM 0 HA TYR A 21 18.772 3.898 2.009 1.00 0.57 H new ATOM 0 HB2 TYR A 21 20.401 5.135 0.656 1.00 0.66 H new ATOM 0 HB3 TYR A 21 20.056 6.619 1.522 1.00 0.66 H new ATOM 0 HD1 TYR A 21 20.389 6.594 4.116 1.00 0.84 H new ATOM 0 HD2 TYR A 21 22.020 3.615 1.486 1.00 0.75 H new ATOM 0 HE1 TYR A 21 22.021 5.947 5.867 1.00 0.93 H new ATOM 0 HE2 TYR A 21 23.653 2.967 3.235 1.00 0.85 H new ATOM 0 HH TYR A 21 24.417 3.325 5.303 1.00 1.05 H new ATOM 327 N ILE A 22 18.436 4.662 4.398 1.00 0.66 N ATOM 328 CA ILE A 22 18.095 5.114 5.772 1.00 0.74 C ATOM 329 C ILE A 22 19.290 4.881 6.695 1.00 0.85 C ATOM 330 O ILE A 22 19.702 3.761 6.921 1.00 0.87 O ATOM 331 CB ILE A 22 16.892 4.321 6.285 1.00 0.69 C ATOM 332 CG1 ILE A 22 15.715 4.503 5.324 1.00 0.59 C ATOM 333 CG2 ILE A 22 16.498 4.832 7.673 1.00 0.77 C ATOM 334 CD1 ILE A 22 14.444 3.937 5.959 1.00 0.56 C ATOM 0 H ILE A 22 18.713 3.684 4.316 1.00 0.66 H new ATOM 0 HA ILE A 22 17.850 6.176 5.756 1.00 0.74 H new ATOM 0 HB ILE A 22 17.153 3.265 6.347 1.00 0.69 H new ATOM 0 HG12 ILE A 22 15.580 5.560 5.094 1.00 0.59 H new ATOM 0 HG13 ILE A 22 15.920 3.996 4.381 1.00 0.59 H new ATOM 0 HG21 ILE A 22 15.641 4.267 8.039 1.00 0.77 H new ATOM 0 HG22 ILE A 22 17.336 4.705 8.359 1.00 0.77 H new ATOM 0 HG23 ILE A 22 16.237 5.888 7.611 1.00 0.77 H new ATOM 0 HD11 ILE A 22 13.606 4.067 5.274 1.00 0.56 H new ATOM 0 HD12 ILE A 22 14.582 2.876 6.166 1.00 0.56 H new ATOM 0 HD13 ILE A 22 14.237 4.464 6.890 1.00 0.56 H new ATOM 346 N ASP A 23 19.843 5.928 7.241 1.00 0.95 N ATOM 347 CA ASP A 23 20.999 5.756 8.159 1.00 1.07 C ATOM 348 C ASP A 23 20.457 5.437 9.548 1.00 1.12 C ATOM 349 O ASP A 23 20.128 6.316 10.314 1.00 1.19 O ATOM 350 CB ASP A 23 21.829 7.039 8.194 1.00 1.16 C ATOM 351 CG ASP A 23 22.983 6.883 9.188 1.00 1.53 C ATOM 352 OD1 ASP A 23 22.755 6.330 10.251 1.00 2.03 O ATOM 353 OD2 ASP A 23 24.076 7.320 8.868 1.00 2.08 O ATOM 0 H ASP A 23 19.544 6.892 7.091 1.00 0.95 H new ATOM 0 HA ASP A 23 21.641 4.945 7.815 1.00 1.07 H new ATOM 0 HB2 ASP A 23 22.220 7.257 7.200 1.00 1.16 H new ATOM 0 HB3 ASP A 23 21.201 7.882 8.482 1.00 1.16 H new ATOM 358 N PHE A 24 20.349 4.168 9.841 1.00 1.10 N ATOM 359 CA PHE A 24 19.812 3.686 11.155 1.00 1.15 C ATOM 360 C PHE A 24 19.736 4.800 12.205 1.00 1.22 C ATOM 361 O PHE A 24 18.698 5.038 12.786 1.00 1.22 O ATOM 362 CB PHE A 24 20.722 2.576 11.684 1.00 1.21 C ATOM 363 CG PHE A 24 20.281 1.251 11.115 1.00 1.18 C ATOM 364 CD1 PHE A 24 19.069 0.684 11.523 1.00 1.14 C ATOM 365 CD2 PHE A 24 21.081 0.591 10.176 1.00 1.21 C ATOM 366 CE1 PHE A 24 18.656 -0.541 10.990 1.00 1.13 C ATOM 367 CE2 PHE A 24 20.668 -0.636 9.646 1.00 1.19 C ATOM 368 CZ PHE A 24 19.456 -1.201 10.053 1.00 1.16 C ATOM 0 H PHE A 24 20.619 3.419 9.204 1.00 1.10 H new ATOM 0 HA PHE A 24 18.799 3.324 10.982 1.00 1.15 H new ATOM 0 HB2 PHE A 24 21.757 2.777 11.407 1.00 1.21 H new ATOM 0 HB3 PHE A 24 20.683 2.547 12.773 1.00 1.21 H new ATOM 0 HD1 PHE A 24 18.452 1.192 12.250 1.00 1.14 H new ATOM 0 HD2 PHE A 24 22.017 1.028 9.861 1.00 1.21 H new ATOM 0 HE1 PHE A 24 17.719 -0.977 11.302 1.00 1.13 H new ATOM 0 HE2 PHE A 24 21.286 -1.147 8.922 1.00 1.19 H new ATOM 0 HZ PHE A 24 19.138 -2.148 9.643 1.00 1.16 H new ATOM 378 N ARG A 25 20.828 5.458 12.480 1.00 1.30 N ATOM 379 CA ARG A 25 20.812 6.516 13.533 1.00 1.38 C ATOM 380 C ARG A 25 20.423 7.886 12.966 1.00 1.36 C ATOM 381 O ARG A 25 19.741 8.655 13.614 1.00 1.38 O ATOM 382 CB ARG A 25 22.204 6.614 14.161 1.00 1.52 C ATOM 383 CG ARG A 25 22.092 7.229 15.558 1.00 2.08 C ATOM 384 CD ARG A 25 23.468 7.719 16.012 1.00 2.48 C ATOM 385 NE ARG A 25 23.455 7.941 17.486 1.00 2.83 N ATOM 386 CZ ARG A 25 24.541 8.325 18.098 1.00 3.37 C ATOM 387 NH1 ARG A 25 25.508 8.884 17.422 1.00 3.78 N ATOM 388 NH2 ARG A 25 24.662 8.150 19.385 1.00 3.96 N ATOM 0 H ARG A 25 21.728 5.311 12.024 1.00 1.30 H new ATOM 0 HA ARG A 25 20.066 6.237 14.277 1.00 1.38 H new ATOM 0 HB2 ARG A 25 22.657 5.625 14.223 1.00 1.52 H new ATOM 0 HB3 ARG A 25 22.855 7.224 13.535 1.00 1.52 H new ATOM 0 HG2 ARG A 25 21.385 8.058 15.546 1.00 2.08 H new ATOM 0 HG3 ARG A 25 21.707 6.491 16.262 1.00 2.08 H new ATOM 0 HD2 ARG A 25 24.231 6.986 15.751 1.00 2.48 H new ATOM 0 HD3 ARG A 25 23.725 8.644 15.496 1.00 2.48 H new ATOM 0 HE ARG A 25 22.596 7.793 18.016 1.00 2.83 H new ATOM 0 HH11 ARG A 25 25.414 9.020 16.416 1.00 3.78 H new ATOM 0 HH12 ARG A 25 26.357 9.184 17.900 1.00 3.78 H new ATOM 0 HH21 ARG A 25 23.907 7.713 19.913 1.00 3.96 H new ATOM 0 HH22 ARG A 25 25.512 8.451 19.863 1.00 3.96 H new ATOM 402 N LYS A 26 20.867 8.220 11.788 1.00 1.34 N ATOM 403 CA LYS A 26 20.532 9.564 11.232 1.00 1.35 C ATOM 404 C LYS A 26 19.024 9.697 11.022 1.00 1.25 C ATOM 405 O LYS A 26 18.413 10.667 11.424 1.00 1.30 O ATOM 406 CB LYS A 26 21.225 9.746 9.884 1.00 1.34 C ATOM 407 CG LYS A 26 21.575 11.222 9.685 1.00 1.44 C ATOM 408 CD LYS A 26 22.023 11.450 8.239 1.00 1.82 C ATOM 409 CE LYS A 26 22.314 12.936 8.023 1.00 2.20 C ATOM 410 NZ LYS A 26 22.942 13.130 6.686 1.00 2.89 N ATOM 0 H LYS A 26 21.442 7.628 11.189 1.00 1.34 H new ATOM 0 HA LYS A 26 20.869 10.322 11.939 1.00 1.35 H new ATOM 0 HB2 LYS A 26 22.129 9.138 9.843 1.00 1.34 H new ATOM 0 HB3 LYS A 26 20.574 9.404 9.079 1.00 1.34 H new ATOM 0 HG2 LYS A 26 20.710 11.846 9.912 1.00 1.44 H new ATOM 0 HG3 LYS A 26 22.368 11.515 10.373 1.00 1.44 H new ATOM 0 HD2 LYS A 26 22.914 10.859 8.026 1.00 1.82 H new ATOM 0 HD3 LYS A 26 21.247 11.117 7.550 1.00 1.82 H new ATOM 0 HE2 LYS A 26 21.391 13.512 8.090 1.00 2.20 H new ATOM 0 HE3 LYS A 26 22.977 13.305 8.805 1.00 2.20 H new ATOM 0 HZ1 LYS A 26 23.140 14.140 6.539 1.00 2.89 H new ATOM 0 HZ2 LYS A 26 23.831 12.592 6.639 1.00 2.89 H new ATOM 0 HZ3 LYS A 26 22.294 12.793 5.946 1.00 2.89 H new ATOM 424 N ASP A 27 18.428 8.749 10.360 1.00 1.14 N ATOM 425 CA ASP A 27 16.972 8.835 10.078 1.00 1.05 C ATOM 426 C ASP A 27 16.138 8.183 11.188 1.00 1.04 C ATOM 427 O ASP A 27 15.247 8.797 11.740 1.00 1.07 O ATOM 428 CB ASP A 27 16.700 8.123 8.759 1.00 0.93 C ATOM 429 CG ASP A 27 16.796 9.125 7.608 1.00 0.96 C ATOM 430 OD1 ASP A 27 15.908 9.954 7.496 1.00 1.42 O ATOM 431 OD2 ASP A 27 17.755 9.047 6.858 1.00 1.47 O ATOM 0 H ASP A 27 18.890 7.914 10.000 1.00 1.14 H new ATOM 0 HA ASP A 27 16.687 9.886 10.025 1.00 1.05 H new ATOM 0 HB2 ASP A 27 17.419 7.317 8.614 1.00 0.93 H new ATOM 0 HB3 ASP A 27 15.710 7.668 8.777 1.00 0.93 H new ATOM 436 N LEU A 28 16.387 6.941 11.498 1.00 1.01 N ATOM 437 CA LEU A 28 15.565 6.263 12.546 1.00 1.03 C ATOM 438 C LEU A 28 16.166 6.474 13.935 1.00 1.14 C ATOM 439 O LEU A 28 15.497 6.305 14.935 1.00 1.17 O ATOM 440 CB LEU A 28 15.513 4.764 12.253 1.00 0.97 C ATOM 441 CG LEU A 28 14.982 4.545 10.839 1.00 0.86 C ATOM 442 CD1 LEU A 28 14.709 3.056 10.622 1.00 0.84 C ATOM 443 CD2 LEU A 28 13.684 5.333 10.662 1.00 0.76 C ATOM 0 H LEU A 28 17.118 6.368 11.076 1.00 1.01 H new ATOM 0 HA LEU A 28 14.563 6.692 12.528 1.00 1.03 H new ATOM 0 HB2 LEU A 28 16.507 4.328 12.352 1.00 0.97 H new ATOM 0 HB3 LEU A 28 14.871 4.262 12.977 1.00 0.97 H new ATOM 0 HG LEU A 28 15.720 4.887 10.113 1.00 0.86 H new ATOM 0 HD11 LEU A 28 14.330 2.899 9.612 1.00 0.84 H new ATOM 0 HD12 LEU A 28 15.633 2.494 10.754 1.00 0.84 H new ATOM 0 HD13 LEU A 28 13.969 2.713 11.345 1.00 0.84 H new ATOM 0 HD21 LEU A 28 13.300 5.180 9.653 1.00 0.76 H new ATOM 0 HD22 LEU A 28 12.947 4.988 11.387 1.00 0.76 H new ATOM 0 HD23 LEU A 28 13.878 6.394 10.819 1.00 0.76 H new ATOM 455 N GLY A 29 17.416 6.823 14.019 1.00 1.22 N ATOM 456 CA GLY A 29 18.028 7.016 15.364 1.00 1.33 C ATOM 457 C GLY A 29 18.021 5.677 16.110 1.00 1.35 C ATOM 458 O GLY A 29 18.268 5.613 17.298 1.00 1.44 O ATOM 0 H GLY A 29 18.037 6.982 13.226 1.00 1.22 H new ATOM 0 HA2 GLY A 29 19.048 7.386 15.264 1.00 1.33 H new ATOM 0 HA3 GLY A 29 17.471 7.764 15.928 1.00 1.33 H new ATOM 462 N TRP A 30 17.734 4.606 15.415 1.00 1.28 N ATOM 463 CA TRP A 30 17.700 3.266 16.066 1.00 1.32 C ATOM 464 C TRP A 30 18.917 3.103 16.976 1.00 1.45 C ATOM 465 O TRP A 30 20.043 3.306 16.570 1.00 1.48 O ATOM 466 CB TRP A 30 17.721 2.183 14.987 1.00 1.26 C ATOM 467 CG TRP A 30 16.320 1.878 14.564 1.00 1.16 C ATOM 468 CD1 TRP A 30 15.236 2.630 14.862 1.00 1.12 C ATOM 469 CD2 TRP A 30 15.835 0.754 13.776 1.00 1.10 C ATOM 470 NE1 TRP A 30 14.115 2.038 14.308 1.00 1.04 N ATOM 471 CE2 TRP A 30 14.433 0.878 13.629 1.00 1.02 C ATOM 472 CE3 TRP A 30 16.469 -0.350 13.182 1.00 1.12 C ATOM 473 CZ2 TRP A 30 13.687 -0.062 12.917 1.00 0.97 C ATOM 474 CZ3 TRP A 30 15.721 -1.300 12.465 1.00 1.08 C ATOM 475 CH2 TRP A 30 14.333 -1.155 12.333 1.00 1.00 C ATOM 0 H TRP A 30 17.521 4.605 14.418 1.00 1.28 H new ATOM 0 HA TRP A 30 16.792 3.174 16.662 1.00 1.32 H new ATOM 0 HB2 TRP A 30 18.307 2.518 14.131 1.00 1.26 H new ATOM 0 HB3 TRP A 30 18.202 1.282 15.369 1.00 1.26 H new ATOM 0 HD1 TRP A 30 15.244 3.543 15.438 1.00 1.12 H new ATOM 0 HE1 TRP A 30 13.170 2.412 14.391 1.00 1.04 H new ATOM 0 HE3 TRP A 30 17.538 -0.470 13.277 1.00 1.12 H new ATOM 0 HZ2 TRP A 30 12.618 0.054 12.818 1.00 0.97 H new ATOM 0 HZ3 TRP A 30 16.218 -2.146 12.014 1.00 1.08 H new ATOM 0 HH2 TRP A 30 13.763 -1.887 11.780 1.00 1.00 H new ATOM 486 N LYS A 31 18.693 2.741 18.207 1.00 1.53 N ATOM 487 CA LYS A 31 19.816 2.566 19.153 1.00 1.66 C ATOM 488 C LYS A 31 20.041 1.077 19.415 1.00 1.71 C ATOM 489 O LYS A 31 21.027 0.684 20.007 1.00 1.81 O ATOM 490 CB LYS A 31 19.448 3.254 20.460 1.00 1.74 C ATOM 491 CG LYS A 31 19.934 4.705 20.436 1.00 1.77 C ATOM 492 CD LYS A 31 19.189 5.511 21.501 1.00 1.99 C ATOM 493 CE LYS A 31 19.635 6.973 21.440 1.00 2.40 C ATOM 494 NZ LYS A 31 19.174 7.685 22.666 1.00 2.85 N ATOM 0 H LYS A 31 17.769 2.558 18.597 1.00 1.53 H new ATOM 0 HA LYS A 31 20.727 2.997 18.737 1.00 1.66 H new ATOM 0 HB2 LYS A 31 18.368 3.225 20.606 1.00 1.74 H new ATOM 0 HB3 LYS A 31 19.897 2.724 21.300 1.00 1.74 H new ATOM 0 HG2 LYS A 31 21.008 4.743 20.621 1.00 1.77 H new ATOM 0 HG3 LYS A 31 19.765 5.140 19.451 1.00 1.77 H new ATOM 0 HD2 LYS A 31 18.113 5.441 21.339 1.00 1.99 H new ATOM 0 HD3 LYS A 31 19.390 5.100 22.490 1.00 1.99 H new ATOM 0 HE2 LYS A 31 20.721 7.030 21.360 1.00 2.40 H new ATOM 0 HE3 LYS A 31 19.224 7.453 20.552 1.00 2.40 H new ATOM 0 HZ1 LYS A 31 19.477 8.679 22.625 1.00 2.85 H new ATOM 0 HZ2 LYS A 31 18.136 7.641 22.723 1.00 2.85 H new ATOM 0 HZ3 LYS A 31 19.586 7.232 23.506 1.00 2.85 H new ATOM 508 N TRP A 32 19.132 0.243 18.991 1.00 1.65 N ATOM 509 CA TRP A 32 19.301 -1.216 19.234 1.00 1.72 C ATOM 510 C TRP A 32 20.135 -1.840 18.117 1.00 1.70 C ATOM 511 O TRP A 32 20.437 -3.014 18.144 1.00 1.75 O ATOM 512 CB TRP A 32 17.930 -1.894 19.296 1.00 1.69 C ATOM 513 CG TRP A 32 17.356 -2.032 17.920 1.00 1.57 C ATOM 514 CD1 TRP A 32 16.755 -1.040 17.226 1.00 1.45 C ATOM 515 CD2 TRP A 32 17.316 -3.210 17.064 1.00 1.55 C ATOM 516 NE1 TRP A 32 16.333 -1.537 16.009 1.00 1.37 N ATOM 517 CE2 TRP A 32 16.658 -2.870 15.860 1.00 1.43 C ATOM 518 CE3 TRP A 32 17.780 -4.528 17.214 1.00 1.65 C ATOM 519 CZ2 TRP A 32 16.464 -3.806 14.843 1.00 1.39 C ATOM 520 CZ3 TRP A 32 17.590 -5.473 16.193 1.00 1.62 C ATOM 521 CH2 TRP A 32 16.930 -5.112 15.009 1.00 1.50 C ATOM 0 H TRP A 32 18.284 0.507 18.489 1.00 1.65 H new ATOM 0 HA TRP A 32 19.816 -1.359 20.184 1.00 1.72 H new ATOM 0 HB2 TRP A 32 18.023 -2.876 19.759 1.00 1.69 H new ATOM 0 HB3 TRP A 32 17.256 -1.310 19.922 1.00 1.69 H new ATOM 0 HD1 TRP A 32 16.626 -0.024 17.568 1.00 1.45 H new ATOM 0 HE1 TRP A 32 15.841 -0.986 15.306 1.00 1.37 H new ATOM 0 HE3 TRP A 32 18.287 -4.817 18.123 1.00 1.65 H new ATOM 0 HZ2 TRP A 32 15.956 -3.522 13.933 1.00 1.39 H new ATOM 0 HZ3 TRP A 32 17.954 -6.482 16.320 1.00 1.62 H new ATOM 0 HH2 TRP A 32 16.783 -5.843 14.227 1.00 1.50 H new ATOM 532 N ILE A 33 20.510 -1.067 17.137 1.00 1.63 N ATOM 533 CA ILE A 33 21.326 -1.627 16.026 1.00 1.61 C ATOM 534 C ILE A 33 22.623 -0.823 15.893 1.00 1.65 C ATOM 535 O ILE A 33 22.614 0.390 15.839 1.00 1.62 O ATOM 536 CB ILE A 33 20.518 -1.565 14.723 1.00 1.48 C ATOM 537 CG1 ILE A 33 19.599 -2.783 14.658 1.00 1.46 C ATOM 538 CG2 ILE A 33 21.453 -1.574 13.509 1.00 1.47 C ATOM 539 CD1 ILE A 33 18.660 -2.657 13.461 1.00 1.35 C ATOM 0 H ILE A 33 20.287 -0.075 17.058 1.00 1.63 H new ATOM 0 HA ILE A 33 21.578 -2.667 16.235 1.00 1.61 H new ATOM 0 HB ILE A 33 19.934 -0.645 14.707 1.00 1.48 H new ATOM 0 HG12 ILE A 33 20.192 -3.694 14.573 1.00 1.46 H new ATOM 0 HG13 ILE A 33 19.021 -2.864 15.579 1.00 1.46 H new ATOM 0 HG21 ILE A 33 20.862 -1.530 12.594 1.00 1.47 H new ATOM 0 HG22 ILE A 33 22.117 -0.711 13.555 1.00 1.47 H new ATOM 0 HG23 ILE A 33 22.046 -2.488 13.514 1.00 1.47 H new ATOM 0 HD11 ILE A 33 18.006 -3.528 13.418 1.00 1.35 H new ATOM 0 HD12 ILE A 33 18.057 -1.755 13.565 1.00 1.35 H new ATOM 0 HD13 ILE A 33 19.246 -2.598 12.544 1.00 1.35 H new ATOM 551 N HIS A 34 23.738 -1.498 15.843 1.00 1.72 N ATOM 552 CA HIS A 34 25.041 -0.787 15.718 1.00 1.77 C ATOM 553 C HIS A 34 25.442 -0.712 14.241 1.00 1.72 C ATOM 554 O HIS A 34 25.727 0.348 13.719 1.00 1.71 O ATOM 555 CB HIS A 34 26.108 -1.555 16.509 1.00 1.88 C ATOM 556 CG HIS A 34 27.483 -1.107 16.090 1.00 2.16 C ATOM 557 ND1 HIS A 34 27.903 0.208 16.214 1.00 2.60 N ATOM 558 CD2 HIS A 34 28.542 -1.791 15.547 1.00 2.21 C ATOM 559 CE1 HIS A 34 29.167 0.274 15.755 1.00 2.94 C ATOM 560 NE2 HIS A 34 29.605 -0.917 15.336 1.00 2.67 N ATOM 0 H HIS A 34 23.803 -2.515 15.884 1.00 1.72 H new ATOM 0 HA HIS A 34 24.951 0.224 16.115 1.00 1.77 H new ATOM 0 HB2 HIS A 34 25.972 -1.387 17.577 1.00 1.88 H new ATOM 0 HB3 HIS A 34 25.998 -2.626 16.339 1.00 1.88 H new ATOM 0 HD2 HIS A 34 28.549 -2.846 15.318 1.00 2.21 H new ATOM 0 HE1 HIS A 34 29.755 1.179 15.729 1.00 2.94 H new ATOM 0 HE2 HIS A 34 30.521 -1.138 14.946 1.00 2.67 H new ATOM 568 N GLU A 35 25.469 -1.827 13.564 1.00 1.71 N ATOM 569 CA GLU A 35 25.854 -1.813 12.124 1.00 1.67 C ATOM 570 C GLU A 35 24.834 -2.617 11.311 1.00 1.58 C ATOM 571 O GLU A 35 24.193 -3.508 11.832 1.00 1.59 O ATOM 572 CB GLU A 35 27.241 -2.439 11.962 1.00 1.79 C ATOM 573 CG GLU A 35 28.312 -1.362 12.142 1.00 1.95 C ATOM 574 CD GLU A 35 29.550 -1.730 11.323 1.00 1.96 C ATOM 575 OE1 GLU A 35 29.618 -2.858 10.862 1.00 2.15 O ATOM 576 OE2 GLU A 35 30.410 -0.878 11.169 1.00 2.47 O ATOM 0 H GLU A 35 25.242 -2.746 13.945 1.00 1.71 H new ATOM 0 HA GLU A 35 25.873 -0.784 11.764 1.00 1.67 H new ATOM 0 HB2 GLU A 35 27.381 -3.232 12.696 1.00 1.79 H new ATOM 0 HB3 GLU A 35 27.332 -2.896 10.977 1.00 1.79 H new ATOM 0 HG2 GLU A 35 27.926 -0.394 11.822 1.00 1.95 H new ATOM 0 HG3 GLU A 35 28.575 -1.268 13.196 1.00 1.95 H new ATOM 583 N PRO A 36 24.716 -2.273 10.054 1.00 1.49 N ATOM 584 CA PRO A 36 25.501 -1.189 9.436 1.00 1.50 C ATOM 585 C PRO A 36 24.924 0.175 9.820 1.00 1.44 C ATOM 586 O PRO A 36 23.885 0.267 10.442 1.00 1.40 O ATOM 587 CB PRO A 36 25.345 -1.444 7.935 1.00 1.43 C ATOM 588 CG PRO A 36 24.055 -2.281 7.767 1.00 1.35 C ATOM 589 CD PRO A 36 23.780 -2.944 9.130 1.00 1.41 C ATOM 0 HA PRO A 36 26.543 -1.178 9.756 1.00 1.50 H new ATOM 0 HB2 PRO A 36 25.273 -0.505 7.387 1.00 1.43 H new ATOM 0 HB3 PRO A 36 26.209 -1.978 7.540 1.00 1.43 H new ATOM 0 HG2 PRO A 36 23.219 -1.649 7.468 1.00 1.35 H new ATOM 0 HG3 PRO A 36 24.180 -3.033 6.988 1.00 1.35 H new ATOM 0 HD2 PRO A 36 22.745 -2.803 9.440 1.00 1.41 H new ATOM 0 HD3 PRO A 36 23.958 -4.019 9.093 1.00 1.41 H new ATOM 597 N LYS A 37 25.587 1.233 9.446 1.00 1.47 N ATOM 598 CA LYS A 37 25.083 2.586 9.774 1.00 1.44 C ATOM 599 C LYS A 37 23.703 2.775 9.148 1.00 1.30 C ATOM 600 O LYS A 37 22.833 3.411 9.708 1.00 1.26 O ATOM 601 CB LYS A 37 26.049 3.610 9.193 1.00 1.49 C ATOM 602 CG LYS A 37 27.117 3.960 10.231 1.00 1.63 C ATOM 603 CD LYS A 37 28.429 4.297 9.520 1.00 2.23 C ATOM 604 CE LYS A 37 29.553 4.414 10.552 1.00 2.61 C ATOM 605 NZ LYS A 37 30.461 5.533 10.171 1.00 3.14 N ATOM 0 H LYS A 37 26.463 1.214 8.923 1.00 1.47 H new ATOM 0 HA LYS A 37 25.007 2.711 10.854 1.00 1.44 H new ATOM 0 HB2 LYS A 37 26.519 3.211 8.294 1.00 1.49 H new ATOM 0 HB3 LYS A 37 25.507 4.508 8.898 1.00 1.49 H new ATOM 0 HG2 LYS A 37 26.790 4.807 10.834 1.00 1.63 H new ATOM 0 HG3 LYS A 37 27.265 3.122 10.913 1.00 1.63 H new ATOM 0 HD2 LYS A 37 28.669 3.523 8.791 1.00 2.23 H new ATOM 0 HD3 LYS A 37 28.327 5.232 8.970 1.00 2.23 H new ATOM 0 HE2 LYS A 37 29.135 4.592 11.543 1.00 2.61 H new ATOM 0 HE3 LYS A 37 30.112 3.480 10.605 1.00 2.61 H new ATOM 0 HZ1 LYS A 37 31.225 5.614 10.872 1.00 3.14 H new ATOM 0 HZ2 LYS A 37 30.869 5.345 9.233 1.00 3.14 H new ATOM 0 HZ3 LYS A 37 29.923 6.422 10.142 1.00 3.14 H new ATOM 619 N GLY A 38 23.503 2.224 7.985 1.00 1.23 N ATOM 620 CA GLY A 38 22.184 2.364 7.307 1.00 1.10 C ATOM 621 C GLY A 38 22.062 1.306 6.209 1.00 1.01 C ATOM 622 O GLY A 38 22.634 0.238 6.297 1.00 1.04 O ATOM 0 H GLY A 38 24.198 1.681 7.472 1.00 1.23 H new ATOM 0 HA2 GLY A 38 21.377 2.248 8.030 1.00 1.10 H new ATOM 0 HA3 GLY A 38 22.087 3.362 6.878 1.00 1.10 H new ATOM 626 N TYR A 39 21.319 1.593 5.175 1.00 0.93 N ATOM 627 CA TYR A 39 21.161 0.601 4.074 1.00 0.86 C ATOM 628 C TYR A 39 20.230 1.171 3.001 1.00 0.75 C ATOM 629 O TYR A 39 19.703 2.257 3.138 1.00 0.76 O ATOM 630 CB TYR A 39 20.566 -0.691 4.637 1.00 0.88 C ATOM 631 CG TYR A 39 19.107 -0.479 4.967 1.00 0.84 C ATOM 632 CD1 TYR A 39 18.739 0.375 6.014 1.00 0.89 C ATOM 633 CD2 TYR A 39 18.123 -1.138 4.225 1.00 0.78 C ATOM 634 CE1 TYR A 39 17.386 0.567 6.318 1.00 0.86 C ATOM 635 CE2 TYR A 39 16.771 -0.945 4.528 1.00 0.75 C ATOM 636 CZ TYR A 39 16.402 -0.093 5.575 1.00 0.78 C ATOM 637 OH TYR A 39 15.068 0.097 5.874 1.00 0.77 O ATOM 0 H TYR A 39 20.815 2.470 5.045 1.00 0.93 H new ATOM 0 HA TYR A 39 22.134 0.390 3.631 1.00 0.86 H new ATOM 0 HB2 TYR A 39 20.671 -1.497 3.911 1.00 0.88 H new ATOM 0 HB3 TYR A 39 21.111 -0.994 5.531 1.00 0.88 H new ATOM 0 HD1 TYR A 39 19.499 0.886 6.587 1.00 0.89 H new ATOM 0 HD2 TYR A 39 18.406 -1.797 3.417 1.00 0.78 H new ATOM 0 HE1 TYR A 39 17.102 1.225 7.126 1.00 0.86 H new ATOM 0 HE2 TYR A 39 16.011 -1.454 3.953 1.00 0.75 H new ATOM 0 HH TYR A 39 14.764 -0.612 6.478 1.00 0.77 H new ATOM 647 N HIS A 40 20.019 0.447 1.937 1.00 0.67 N ATOM 648 CA HIS A 40 19.117 0.951 0.864 1.00 0.58 C ATOM 649 C HIS A 40 17.685 0.505 1.167 1.00 0.52 C ATOM 650 O HIS A 40 17.203 -0.474 0.634 1.00 0.54 O ATOM 651 CB HIS A 40 19.556 0.377 -0.485 1.00 0.60 C ATOM 652 CG HIS A 40 20.938 0.872 -0.814 1.00 0.65 C ATOM 653 ND1 HIS A 40 22.071 0.365 -0.197 1.00 1.23 N ATOM 654 CD2 HIS A 40 21.385 1.827 -1.693 1.00 1.02 C ATOM 655 CE1 HIS A 40 23.134 1.011 -0.709 1.00 1.04 C ATOM 656 NE2 HIS A 40 22.773 1.913 -1.625 1.00 0.88 N ATOM 0 H HIS A 40 20.431 -0.470 1.764 1.00 0.67 H new ATOM 0 HA HIS A 40 19.164 2.039 0.824 1.00 0.58 H new ATOM 0 HB2 HIS A 40 19.547 -0.712 -0.449 1.00 0.60 H new ATOM 0 HB3 HIS A 40 18.856 0.676 -1.265 1.00 0.60 H new ATOM 0 HD2 HIS A 40 20.756 2.421 -2.339 1.00 1.02 H new ATOM 0 HE1 HIS A 40 24.156 0.823 -0.415 1.00 1.04 H new ATOM 0 HE2 HIS A 40 23.383 2.532 -2.160 1.00 0.88 H new ATOM 664 N ALA A 41 17.006 1.210 2.031 1.00 0.49 N ATOM 665 CA ALA A 41 15.611 0.819 2.381 1.00 0.46 C ATOM 666 C ALA A 41 14.688 1.032 1.180 1.00 0.35 C ATOM 667 O ALA A 41 13.695 0.348 1.025 1.00 0.37 O ATOM 668 CB ALA A 41 15.127 1.667 3.559 1.00 0.50 C ATOM 0 H ALA A 41 17.357 2.040 2.509 1.00 0.49 H new ATOM 0 HA ALA A 41 15.593 -0.235 2.657 1.00 0.46 H new ATOM 0 HB1 ALA A 41 14.107 1.383 3.817 1.00 0.50 H new ATOM 0 HB2 ALA A 41 15.778 1.502 4.418 1.00 0.50 H new ATOM 0 HB3 ALA A 41 15.151 2.721 3.283 1.00 0.50 H new ATOM 674 N ASN A 42 15.000 1.968 0.328 1.00 0.33 N ATOM 675 CA ASN A 42 14.126 2.207 -0.855 1.00 0.30 C ATOM 676 C ASN A 42 12.683 2.393 -0.385 1.00 0.27 C ATOM 677 O ASN A 42 12.380 2.259 0.783 1.00 0.26 O ATOM 678 CB ASN A 42 14.199 1.001 -1.793 1.00 0.34 C ATOM 679 CG ASN A 42 15.313 1.217 -2.819 1.00 0.42 C ATOM 680 OD1 ASN A 42 15.330 2.214 -3.512 1.00 1.07 O ATOM 681 ND2 ASN A 42 16.249 0.317 -2.947 1.00 1.09 N ATOM 0 H ASN A 42 15.817 2.575 0.398 1.00 0.33 H new ATOM 0 HA ASN A 42 14.460 3.101 -1.382 1.00 0.30 H new ATOM 0 HB2 ASN A 42 14.389 0.093 -1.221 1.00 0.34 H new ATOM 0 HB3 ASN A 42 13.244 0.864 -2.301 1.00 0.34 H new ATOM 0 HD21 ASN A 42 16.995 0.451 -3.629 1.00 1.09 H new ATOM 0 HD22 ASN A 42 16.234 -0.520 -2.365 1.00 1.09 H new ATOM 688 N PHE A 43 11.788 2.692 -1.287 1.00 0.29 N ATOM 689 CA PHE A 43 10.364 2.877 -0.891 1.00 0.30 C ATOM 690 C PHE A 43 9.540 3.251 -2.121 1.00 0.36 C ATOM 691 O PHE A 43 10.011 3.166 -3.235 1.00 0.47 O ATOM 692 CB PHE A 43 10.247 3.969 0.178 1.00 0.32 C ATOM 693 CG PHE A 43 10.438 5.343 -0.422 1.00 0.35 C ATOM 694 CD1 PHE A 43 11.458 5.585 -1.351 1.00 0.40 C ATOM 695 CD2 PHE A 43 9.598 6.386 -0.023 1.00 0.39 C ATOM 696 CE1 PHE A 43 11.632 6.871 -1.877 1.00 0.47 C ATOM 697 CE2 PHE A 43 9.772 7.666 -0.551 1.00 0.48 C ATOM 698 CZ PHE A 43 10.789 7.910 -1.478 1.00 0.52 C ATOM 0 H PHE A 43 11.982 2.816 -2.281 1.00 0.29 H new ATOM 0 HA PHE A 43 9.984 1.945 -0.473 1.00 0.30 H new ATOM 0 HB2 PHE A 43 9.269 3.911 0.656 1.00 0.32 H new ATOM 0 HB3 PHE A 43 10.992 3.802 0.956 1.00 0.32 H new ATOM 0 HD1 PHE A 43 12.109 4.781 -1.661 1.00 0.40 H new ATOM 0 HD2 PHE A 43 8.813 6.201 0.695 1.00 0.39 H new ATOM 0 HE1 PHE A 43 12.419 7.059 -2.592 1.00 0.47 H new ATOM 0 HE2 PHE A 43 9.120 8.470 -0.243 1.00 0.48 H new ATOM 0 HZ PHE A 43 10.923 8.901 -1.885 1.00 0.52 H new ATOM 708 N CYS A 44 8.309 3.641 -1.936 1.00 0.46 N ATOM 709 CA CYS A 44 7.463 3.988 -3.115 1.00 0.55 C ATOM 710 C CYS A 44 6.714 5.297 -2.847 1.00 0.58 C ATOM 711 O CYS A 44 6.332 5.585 -1.730 1.00 0.66 O ATOM 712 CB CYS A 44 6.439 2.871 -3.359 1.00 0.63 C ATOM 713 SG CYS A 44 7.091 1.280 -2.778 1.00 0.78 S ATOM 0 H CYS A 44 7.854 3.734 -1.028 1.00 0.46 H new ATOM 0 HA CYS A 44 8.103 4.103 -3.990 1.00 0.55 H new ATOM 0 HB2 CYS A 44 5.509 3.102 -2.840 1.00 0.63 H new ATOM 0 HB3 CYS A 44 6.204 2.809 -4.422 1.00 0.63 H new ATOM 718 N LEU A 45 6.491 6.090 -3.862 1.00 0.59 N ATOM 719 CA LEU A 45 5.757 7.372 -3.655 1.00 0.67 C ATOM 720 C LEU A 45 4.828 7.639 -4.843 1.00 0.99 C ATOM 721 O LEU A 45 5.093 7.229 -5.956 1.00 1.35 O ATOM 722 CB LEU A 45 6.757 8.522 -3.533 1.00 0.75 C ATOM 723 CG LEU A 45 7.415 8.490 -2.158 1.00 0.65 C ATOM 724 CD1 LEU A 45 8.257 9.753 -1.975 1.00 0.95 C ATOM 725 CD2 LEU A 45 6.339 8.432 -1.071 1.00 0.61 C ATOM 0 H LEU A 45 6.784 5.906 -4.821 1.00 0.59 H new ATOM 0 HA LEU A 45 5.167 7.299 -2.742 1.00 0.67 H new ATOM 0 HB2 LEU A 45 7.516 8.441 -4.311 1.00 0.75 H new ATOM 0 HB3 LEU A 45 6.249 9.475 -3.681 1.00 0.75 H new ATOM 0 HG LEU A 45 8.051 7.608 -2.080 1.00 0.65 H new ATOM 0 HD11 LEU A 45 8.730 9.736 -0.993 1.00 0.95 H new ATOM 0 HD12 LEU A 45 9.025 9.793 -2.747 1.00 0.95 H new ATOM 0 HD13 LEU A 45 7.617 10.632 -2.054 1.00 0.95 H new ATOM 0 HD21 LEU A 45 6.814 8.409 -0.090 1.00 0.61 H new ATOM 0 HD22 LEU A 45 5.700 9.312 -1.145 1.00 0.61 H new ATOM 0 HD23 LEU A 45 5.736 7.534 -1.203 1.00 0.61 H new ATOM 737 N GLY A 46 3.745 8.333 -4.614 1.00 1.02 N ATOM 738 CA GLY A 46 2.801 8.640 -5.727 1.00 1.38 C ATOM 739 C GLY A 46 1.874 7.446 -5.974 1.00 0.91 C ATOM 740 O GLY A 46 2.257 6.311 -5.771 1.00 1.00 O ATOM 0 H GLY A 46 3.473 8.701 -3.702 1.00 1.02 H new ATOM 0 HA2 GLY A 46 2.212 9.523 -5.481 1.00 1.38 H new ATOM 0 HA3 GLY A 46 3.359 8.871 -6.634 1.00 1.38 H new ATOM 744 N PRO A 47 0.676 7.745 -6.415 1.00 0.83 N ATOM 745 CA PRO A 47 -0.343 6.722 -6.713 1.00 0.74 C ATOM 746 C PRO A 47 -0.054 6.068 -8.066 1.00 0.64 C ATOM 747 O PRO A 47 1.046 6.137 -8.575 1.00 0.77 O ATOM 748 CB PRO A 47 -1.649 7.519 -6.758 1.00 1.25 C ATOM 749 CG PRO A 47 -1.254 8.987 -7.051 1.00 1.55 C ATOM 750 CD PRO A 47 0.227 9.132 -6.655 1.00 1.32 C ATOM 0 HA PRO A 47 -0.370 5.914 -5.982 1.00 0.74 H new ATOM 0 HB2 PRO A 47 -2.313 7.133 -7.532 1.00 1.25 H new ATOM 0 HB3 PRO A 47 -2.184 7.442 -5.811 1.00 1.25 H new ATOM 0 HG2 PRO A 47 -1.398 9.224 -8.105 1.00 1.55 H new ATOM 0 HG3 PRO A 47 -1.877 9.677 -6.481 1.00 1.55 H new ATOM 0 HD2 PRO A 47 0.806 9.607 -7.447 1.00 1.32 H new ATOM 0 HD3 PRO A 47 0.342 9.748 -5.763 1.00 1.32 H new ATOM 758 N CYS A 48 -1.031 5.435 -8.655 1.00 0.63 N ATOM 759 CA CYS A 48 -0.800 4.782 -9.975 1.00 0.74 C ATOM 760 C CYS A 48 -2.061 4.882 -10.839 1.00 0.65 C ATOM 761 O CYS A 48 -3.154 5.027 -10.330 1.00 0.62 O ATOM 762 CB CYS A 48 -0.443 3.301 -9.780 1.00 1.04 C ATOM 763 SG CYS A 48 -1.204 2.656 -8.266 1.00 0.96 S ATOM 0 H CYS A 48 -1.976 5.342 -8.282 1.00 0.63 H new ATOM 0 HA CYS A 48 0.025 5.292 -10.471 1.00 0.74 H new ATOM 0 HB2 CYS A 48 -0.783 2.723 -10.639 1.00 1.04 H new ATOM 0 HB3 CYS A 48 0.640 3.186 -9.727 1.00 1.04 H new ATOM 768 N PRO A 49 -1.860 4.784 -12.130 1.00 0.69 N ATOM 769 CA PRO A 49 -2.955 4.840 -13.117 1.00 0.70 C ATOM 770 C PRO A 49 -3.776 3.544 -13.079 1.00 0.65 C ATOM 771 O PRO A 49 -3.834 2.870 -12.069 1.00 0.66 O ATOM 772 CB PRO A 49 -2.224 5.012 -14.456 1.00 0.84 C ATOM 773 CG PRO A 49 -0.785 4.496 -14.234 1.00 0.89 C ATOM 774 CD PRO A 49 -0.518 4.606 -12.722 1.00 0.80 C ATOM 0 HA PRO A 49 -3.668 5.643 -12.931 1.00 0.70 H new ATOM 0 HB2 PRO A 49 -2.721 4.449 -15.246 1.00 0.84 H new ATOM 0 HB3 PRO A 49 -2.219 6.057 -14.765 1.00 0.84 H new ATOM 0 HG2 PRO A 49 -0.685 3.465 -14.573 1.00 0.89 H new ATOM 0 HG3 PRO A 49 -0.067 5.089 -14.800 1.00 0.89 H new ATOM 0 HD2 PRO A 49 -0.029 3.711 -12.338 1.00 0.80 H new ATOM 0 HD3 PRO A 49 0.134 5.449 -12.493 1.00 0.80 H new ATOM 782 N TYR A 50 -4.427 3.196 -14.158 1.00 0.71 N ATOM 783 CA TYR A 50 -5.256 1.953 -14.158 1.00 0.77 C ATOM 784 C TYR A 50 -4.411 0.745 -14.568 1.00 0.96 C ATOM 785 O TYR A 50 -4.305 -0.220 -13.842 1.00 1.81 O ATOM 786 CB TYR A 50 -6.426 2.089 -15.144 1.00 0.87 C ATOM 787 CG TYR A 50 -6.630 3.536 -15.530 1.00 0.85 C ATOM 788 CD1 TYR A 50 -7.100 4.452 -14.583 1.00 0.71 C ATOM 789 CD2 TYR A 50 -6.351 3.958 -16.835 1.00 1.09 C ATOM 790 CE1 TYR A 50 -7.292 5.790 -14.942 1.00 0.83 C ATOM 791 CE2 TYR A 50 -6.542 5.297 -17.193 1.00 1.16 C ATOM 792 CZ TYR A 50 -7.013 6.214 -16.246 1.00 1.03 C ATOM 793 OH TYR A 50 -7.202 7.534 -16.599 1.00 1.19 O ATOM 0 H TYR A 50 -4.421 3.716 -15.036 1.00 0.71 H new ATOM 0 HA TYR A 50 -5.639 1.808 -13.148 1.00 0.77 H new ATOM 0 HB2 TYR A 50 -6.229 1.493 -16.035 1.00 0.87 H new ATOM 0 HB3 TYR A 50 -7.337 1.695 -14.693 1.00 0.87 H new ATOM 0 HD1 TYR A 50 -7.314 4.126 -13.576 1.00 0.71 H new ATOM 0 HD2 TYR A 50 -5.988 3.250 -17.566 1.00 1.09 H new ATOM 0 HE1 TYR A 50 -7.656 6.497 -14.212 1.00 0.83 H new ATOM 0 HE2 TYR A 50 -6.326 5.623 -18.200 1.00 1.16 H new ATOM 0 HH TYR A 50 -6.391 8.046 -16.398 1.00 1.19 H new ATOM 803 N ILE A 51 -3.826 0.776 -15.733 1.00 0.79 N ATOM 804 CA ILE A 51 -3.015 -0.391 -16.198 1.00 0.87 C ATOM 805 C ILE A 51 -1.642 -0.434 -15.515 1.00 0.84 C ATOM 806 O ILE A 51 -0.727 -1.066 -16.003 1.00 1.08 O ATOM 807 CB ILE A 51 -2.804 -0.280 -17.704 1.00 0.97 C ATOM 808 CG1 ILE A 51 -2.327 1.135 -18.039 1.00 0.99 C ATOM 809 CG2 ILE A 51 -4.121 -0.561 -18.430 1.00 1.09 C ATOM 810 CD1 ILE A 51 -1.423 1.093 -19.272 1.00 1.15 C ATOM 0 H ILE A 51 -3.873 1.558 -16.386 1.00 0.79 H new ATOM 0 HA ILE A 51 -3.557 -1.302 -15.943 1.00 0.87 H new ATOM 0 HB ILE A 51 -2.057 -1.006 -18.024 1.00 0.97 H new ATOM 0 HG12 ILE A 51 -3.183 1.784 -18.225 1.00 0.99 H new ATOM 0 HG13 ILE A 51 -1.785 1.557 -17.193 1.00 0.99 H new ATOM 0 HG21 ILE A 51 -3.967 -0.481 -19.506 1.00 1.09 H new ATOM 0 HG22 ILE A 51 -4.464 -1.567 -18.186 1.00 1.09 H new ATOM 0 HG23 ILE A 51 -4.872 0.164 -18.116 1.00 1.09 H new ATOM 0 HD11 ILE A 51 -1.084 2.101 -19.509 1.00 1.15 H new ATOM 0 HD12 ILE A 51 -0.560 0.459 -19.069 1.00 1.15 H new ATOM 0 HD13 ILE A 51 -1.980 0.689 -20.118 1.00 1.15 H new ATOM 822 N TRP A 52 -1.478 0.221 -14.403 1.00 0.78 N ATOM 823 CA TRP A 52 -0.157 0.196 -13.718 1.00 0.81 C ATOM 824 C TRP A 52 -0.053 -1.053 -12.840 1.00 0.96 C ATOM 825 O TRP A 52 -0.004 -0.969 -11.629 1.00 1.54 O ATOM 826 CB TRP A 52 -0.017 1.441 -12.848 1.00 0.84 C ATOM 827 CG TRP A 52 1.375 1.972 -12.959 1.00 0.80 C ATOM 828 CD1 TRP A 52 2.158 2.311 -11.911 1.00 0.91 C ATOM 829 CD2 TRP A 52 2.159 2.232 -14.159 1.00 0.75 C ATOM 830 NE1 TRP A 52 3.375 2.762 -12.390 1.00 0.92 N ATOM 831 CE2 TRP A 52 3.425 2.732 -13.769 1.00 0.80 C ATOM 832 CE3 TRP A 52 1.900 2.084 -15.535 1.00 0.76 C ATOM 833 CZ2 TRP A 52 4.399 3.072 -14.709 1.00 0.80 C ATOM 834 CZ3 TRP A 52 2.879 2.427 -16.483 1.00 0.78 C ATOM 835 CH2 TRP A 52 4.125 2.919 -16.071 1.00 0.77 C ATOM 0 H TRP A 52 -2.200 0.772 -13.938 1.00 0.78 H new ATOM 0 HA TRP A 52 0.637 0.178 -14.464 1.00 0.81 H new ATOM 0 HB2 TRP A 52 -0.733 2.200 -13.163 1.00 0.84 H new ATOM 0 HB3 TRP A 52 -0.244 1.199 -11.810 1.00 0.84 H new ATOM 0 HD1 TRP A 52 1.879 2.241 -10.870 1.00 0.91 H new ATOM 0 HE1 TRP A 52 4.142 3.078 -11.796 1.00 0.92 H new ATOM 0 HE3 TRP A 52 0.944 1.705 -15.864 1.00 0.76 H new ATOM 0 HZ2 TRP A 52 5.358 3.451 -14.386 1.00 0.80 H new ATOM 0 HZ3 TRP A 52 2.670 2.311 -17.536 1.00 0.78 H new ATOM 0 HH2 TRP A 52 4.873 3.180 -16.805 1.00 0.77 H new ATOM 846 N SER A 53 -0.016 -2.212 -13.441 1.00 0.90 N ATOM 847 CA SER A 53 0.088 -3.466 -12.642 1.00 0.97 C ATOM 848 C SER A 53 -0.845 -3.386 -11.432 1.00 0.90 C ATOM 849 O SER A 53 -0.412 -3.182 -10.315 1.00 1.16 O ATOM 850 CB SER A 53 1.529 -3.646 -12.162 1.00 1.11 C ATOM 851 OG SER A 53 2.241 -4.439 -13.102 1.00 1.76 O ATOM 0 H SER A 53 -0.053 -2.344 -14.452 1.00 0.90 H new ATOM 0 HA SER A 53 -0.199 -4.314 -13.264 1.00 0.97 H new ATOM 0 HB2 SER A 53 2.011 -2.675 -12.049 1.00 1.11 H new ATOM 0 HB3 SER A 53 1.541 -4.124 -11.182 1.00 1.11 H new ATOM 0 HG SER A 53 3.166 -4.555 -12.798 1.00 1.76 H new ATOM 857 N LEU A 54 -2.123 -3.547 -11.643 1.00 0.73 N ATOM 858 CA LEU A 54 -3.079 -3.483 -10.502 1.00 0.64 C ATOM 859 C LEU A 54 -3.013 -4.790 -9.711 1.00 0.74 C ATOM 860 O LEU A 54 -3.078 -5.868 -10.269 1.00 0.87 O ATOM 861 CB LEU A 54 -4.499 -3.281 -11.036 1.00 0.64 C ATOM 862 CG LEU A 54 -4.551 -2.005 -11.878 1.00 0.64 C ATOM 863 CD1 LEU A 54 -5.716 -2.092 -12.866 1.00 0.72 C ATOM 864 CD2 LEU A 54 -4.753 -0.798 -10.959 1.00 0.73 C ATOM 0 H LEU A 54 -2.546 -3.720 -12.555 1.00 0.73 H new ATOM 0 HA LEU A 54 -2.814 -2.649 -9.852 1.00 0.64 H new ATOM 0 HB2 LEU A 54 -4.798 -4.139 -11.638 1.00 0.64 H new ATOM 0 HB3 LEU A 54 -5.204 -3.212 -10.208 1.00 0.64 H new ATOM 0 HG LEU A 54 -3.616 -1.894 -12.427 1.00 0.64 H new ATOM 0 HD11 LEU A 54 -5.753 -1.183 -13.466 1.00 0.72 H new ATOM 0 HD12 LEU A 54 -5.575 -2.953 -13.520 1.00 0.72 H new ATOM 0 HD13 LEU A 54 -6.651 -2.203 -12.317 1.00 0.72 H new ATOM 0 HD21 LEU A 54 -4.790 0.112 -11.557 1.00 0.73 H new ATOM 0 HD22 LEU A 54 -5.688 -0.911 -10.411 1.00 0.73 H new ATOM 0 HD23 LEU A 54 -3.924 -0.735 -10.254 1.00 0.73 H new ATOM 876 N ASP A 55 -2.883 -4.705 -8.416 1.00 0.73 N ATOM 877 CA ASP A 55 -2.811 -5.946 -7.593 1.00 0.87 C ATOM 878 C ASP A 55 -4.224 -6.425 -7.260 1.00 0.79 C ATOM 879 O ASP A 55 -4.645 -7.486 -7.678 1.00 0.84 O ATOM 880 CB ASP A 55 -2.057 -5.652 -6.296 1.00 1.00 C ATOM 881 CG ASP A 55 -1.648 -6.970 -5.634 1.00 1.31 C ATOM 882 OD1 ASP A 55 -0.680 -7.561 -6.084 1.00 1.88 O ATOM 883 OD2 ASP A 55 -2.311 -7.367 -4.690 1.00 1.98 O ATOM 0 H ASP A 55 -2.824 -3.832 -7.892 1.00 0.73 H new ATOM 0 HA ASP A 55 -2.289 -6.721 -8.153 1.00 0.87 H new ATOM 0 HB2 ASP A 55 -1.174 -5.048 -6.505 1.00 1.00 H new ATOM 0 HB3 ASP A 55 -2.686 -5.073 -5.620 1.00 1.00 H new ATOM 888 N THR A 56 -4.959 -5.653 -6.509 1.00 0.73 N ATOM 889 CA THR A 56 -6.344 -6.065 -6.147 1.00 0.69 C ATOM 890 C THR A 56 -7.333 -5.443 -7.134 1.00 0.66 C ATOM 891 O THR A 56 -6.991 -4.562 -7.897 1.00 0.67 O ATOM 892 CB THR A 56 -6.666 -5.580 -4.731 1.00 0.68 C ATOM 893 OG1 THR A 56 -7.173 -4.254 -4.791 1.00 0.71 O ATOM 894 CG2 THR A 56 -5.396 -5.605 -3.878 1.00 0.70 C ATOM 0 H THR A 56 -4.660 -4.754 -6.130 1.00 0.73 H new ATOM 0 HA THR A 56 -6.423 -7.151 -6.187 1.00 0.69 H new ATOM 0 HB THR A 56 -7.413 -6.236 -4.283 1.00 0.68 H new ATOM 0 HG1 THR A 56 -6.580 -3.702 -5.342 1.00 0.71 H new ATOM 0 HG21 THR A 56 -5.628 -5.259 -2.871 1.00 0.70 H new ATOM 0 HG22 THR A 56 -5.008 -6.623 -3.832 1.00 0.70 H new ATOM 0 HG23 THR A 56 -4.646 -4.951 -4.323 1.00 0.70 H new ATOM 902 N GLN A 57 -8.558 -5.892 -7.126 1.00 0.67 N ATOM 903 CA GLN A 57 -9.563 -5.321 -8.065 1.00 0.67 C ATOM 904 C GLN A 57 -9.838 -3.865 -7.685 1.00 0.58 C ATOM 905 O GLN A 57 -10.069 -3.027 -8.532 1.00 0.58 O ATOM 906 CB GLN A 57 -10.860 -6.127 -7.981 1.00 0.75 C ATOM 907 CG GLN A 57 -11.729 -5.821 -9.203 1.00 1.09 C ATOM 908 CD GLN A 57 -12.464 -7.089 -9.638 1.00 1.61 C ATOM 909 OE1 GLN A 57 -13.334 -7.570 -8.939 1.00 2.31 O ATOM 910 NE2 GLN A 57 -12.149 -7.655 -10.770 1.00 2.23 N ATOM 0 H GLN A 57 -8.905 -6.628 -6.511 1.00 0.67 H new ATOM 0 HA GLN A 57 -9.178 -5.366 -9.084 1.00 0.67 H new ATOM 0 HB2 GLN A 57 -10.636 -7.193 -7.938 1.00 0.75 H new ATOM 0 HB3 GLN A 57 -11.398 -5.877 -7.067 1.00 0.75 H new ATOM 0 HG2 GLN A 57 -12.447 -5.036 -8.965 1.00 1.09 H new ATOM 0 HG3 GLN A 57 -11.109 -5.449 -10.019 1.00 1.09 H new ATOM 0 HE21 GLN A 57 -11.419 -7.251 -11.356 1.00 2.23 H new ATOM 0 HE22 GLN A 57 -12.633 -8.502 -11.069 1.00 2.23 H new ATOM 919 N TYR A 58 -9.809 -3.556 -6.417 1.00 0.51 N ATOM 920 CA TYR A 58 -10.062 -2.151 -5.991 1.00 0.43 C ATOM 921 C TYR A 58 -8.910 -1.265 -6.484 1.00 0.40 C ATOM 922 O TYR A 58 -8.969 -0.054 -6.403 1.00 0.44 O ATOM 923 CB TYR A 58 -10.163 -2.090 -4.456 1.00 0.40 C ATOM 924 CG TYR A 58 -9.834 -0.697 -3.969 1.00 0.33 C ATOM 925 CD1 TYR A 58 -10.802 0.312 -4.020 1.00 0.32 C ATOM 926 CD2 TYR A 58 -8.554 -0.417 -3.477 1.00 0.33 C ATOM 927 CE1 TYR A 58 -10.489 1.602 -3.577 1.00 0.30 C ATOM 928 CE2 TYR A 58 -8.241 0.874 -3.036 1.00 0.30 C ATOM 929 CZ TYR A 58 -9.209 1.882 -3.086 1.00 0.28 C ATOM 930 OH TYR A 58 -8.899 3.155 -2.656 1.00 0.31 O ATOM 0 H TYR A 58 -9.622 -4.214 -5.660 1.00 0.51 H new ATOM 0 HA TYR A 58 -10.999 -1.794 -6.418 1.00 0.43 H new ATOM 0 HB2 TYR A 58 -11.168 -2.367 -4.139 1.00 0.40 H new ATOM 0 HB3 TYR A 58 -9.478 -2.811 -4.010 1.00 0.40 H new ATOM 0 HD1 TYR A 58 -11.789 0.096 -4.401 1.00 0.32 H new ATOM 0 HD2 TYR A 58 -7.808 -1.197 -3.438 1.00 0.33 H new ATOM 0 HE1 TYR A 58 -11.236 2.382 -3.614 1.00 0.30 H new ATOM 0 HE2 TYR A 58 -7.253 1.091 -2.658 1.00 0.30 H new ATOM 0 HH TYR A 58 -7.965 3.182 -2.360 1.00 0.31 H new ATOM 940 N SER A 59 -7.864 -1.859 -6.989 1.00 0.48 N ATOM 941 CA SER A 59 -6.713 -1.050 -7.481 1.00 0.47 C ATOM 942 C SER A 59 -7.043 -0.471 -8.859 1.00 0.48 C ATOM 943 O SER A 59 -6.579 0.591 -9.222 1.00 0.49 O ATOM 944 CB SER A 59 -5.473 -1.938 -7.583 1.00 0.53 C ATOM 945 OG SER A 59 -5.435 -2.821 -6.470 1.00 1.48 O ATOM 0 H SER A 59 -7.756 -2.869 -7.082 1.00 0.48 H new ATOM 0 HA SER A 59 -6.520 -0.234 -6.784 1.00 0.47 H new ATOM 0 HB2 SER A 59 -5.494 -2.507 -8.513 1.00 0.53 H new ATOM 0 HB3 SER A 59 -4.573 -1.324 -7.606 1.00 0.53 H new ATOM 0 HG SER A 59 -4.700 -2.565 -5.874 1.00 1.48 H new ATOM 951 N LYS A 60 -7.840 -1.160 -9.630 1.00 0.55 N ATOM 952 CA LYS A 60 -8.194 -0.643 -10.982 1.00 0.60 C ATOM 953 C LYS A 60 -9.405 0.286 -10.870 1.00 0.57 C ATOM 954 O LYS A 60 -9.517 1.266 -11.579 1.00 0.59 O ATOM 955 CB LYS A 60 -8.526 -1.817 -11.909 1.00 0.71 C ATOM 956 CG LYS A 60 -9.914 -2.369 -11.573 1.00 1.22 C ATOM 957 CD LYS A 60 -10.012 -3.823 -12.038 1.00 1.62 C ATOM 958 CE LYS A 60 -10.392 -3.861 -13.520 1.00 2.26 C ATOM 959 NZ LYS A 60 -9.178 -4.144 -14.337 1.00 2.60 N ATOM 0 H LYS A 60 -8.260 -2.056 -9.383 1.00 0.55 H new ATOM 0 HA LYS A 60 -7.350 -0.089 -11.393 1.00 0.60 H new ATOM 0 HB2 LYS A 60 -8.497 -1.491 -12.949 1.00 0.71 H new ATOM 0 HB3 LYS A 60 -7.777 -2.601 -11.800 1.00 0.71 H new ATOM 0 HG2 LYS A 60 -10.091 -2.307 -10.499 1.00 1.22 H new ATOM 0 HG3 LYS A 60 -10.683 -1.768 -12.059 1.00 1.22 H new ATOM 0 HD2 LYS A 60 -9.060 -4.330 -11.883 1.00 1.62 H new ATOM 0 HD3 LYS A 60 -10.757 -4.355 -11.447 1.00 1.62 H new ATOM 0 HE2 LYS A 60 -11.147 -4.628 -13.693 1.00 2.26 H new ATOM 0 HE3 LYS A 60 -10.831 -2.909 -13.819 1.00 2.26 H new ATOM 0 HZ1 LYS A 60 -9.436 -4.170 -15.344 1.00 2.60 H new ATOM 0 HZ2 LYS A 60 -8.472 -3.397 -14.179 1.00 2.60 H new ATOM 0 HZ3 LYS A 60 -8.778 -5.063 -14.058 1.00 2.60 H new ATOM 973 N VAL A 61 -10.312 -0.015 -9.982 1.00 0.57 N ATOM 974 CA VAL A 61 -11.512 0.847 -9.821 1.00 0.58 C ATOM 975 C VAL A 61 -11.086 2.210 -9.272 1.00 0.51 C ATOM 976 O VAL A 61 -11.255 3.223 -9.914 1.00 0.62 O ATOM 977 CB VAL A 61 -12.488 0.171 -8.852 1.00 0.61 C ATOM 978 CG1 VAL A 61 -13.487 1.196 -8.312 1.00 0.62 C ATOM 979 CG2 VAL A 61 -13.248 -0.931 -9.592 1.00 0.72 C ATOM 0 H VAL A 61 -10.272 -0.823 -9.361 1.00 0.57 H new ATOM 0 HA VAL A 61 -12.002 0.989 -10.784 1.00 0.58 H new ATOM 0 HB VAL A 61 -11.928 -0.255 -8.019 1.00 0.61 H new ATOM 0 HG11 VAL A 61 -14.176 0.705 -7.624 1.00 0.62 H new ATOM 0 HG12 VAL A 61 -12.950 1.985 -7.786 1.00 0.62 H new ATOM 0 HG13 VAL A 61 -14.048 1.629 -9.140 1.00 0.62 H new ATOM 0 HG21 VAL A 61 -13.944 -1.416 -8.907 1.00 0.72 H new ATOM 0 HG22 VAL A 61 -13.801 -0.496 -10.424 1.00 0.72 H new ATOM 0 HG23 VAL A 61 -12.541 -1.668 -9.973 1.00 0.72 H new ATOM 989 N LEU A 62 -10.539 2.240 -8.088 1.00 0.44 N ATOM 990 CA LEU A 62 -10.107 3.539 -7.495 1.00 0.40 C ATOM 991 C LEU A 62 -9.118 4.232 -8.437 1.00 0.43 C ATOM 992 O LEU A 62 -9.172 5.431 -8.628 1.00 0.52 O ATOM 993 CB LEU A 62 -9.447 3.272 -6.137 1.00 0.32 C ATOM 994 CG LEU A 62 -8.754 4.535 -5.615 1.00 0.35 C ATOM 995 CD1 LEU A 62 -9.734 5.361 -4.777 1.00 0.42 C ATOM 996 CD2 LEU A 62 -7.571 4.121 -4.740 1.00 0.32 C ATOM 0 H LEU A 62 -10.372 1.420 -7.504 1.00 0.44 H new ATOM 0 HA LEU A 62 -10.971 4.189 -7.356 1.00 0.40 H new ATOM 0 HB2 LEU A 62 -10.199 2.941 -5.420 1.00 0.32 H new ATOM 0 HB3 LEU A 62 -8.720 2.465 -6.232 1.00 0.32 H new ATOM 0 HG LEU A 62 -8.410 5.136 -6.457 1.00 0.35 H new ATOM 0 HD11 LEU A 62 -9.233 6.257 -4.410 1.00 0.42 H new ATOM 0 HD12 LEU A 62 -10.587 5.648 -5.392 1.00 0.42 H new ATOM 0 HD13 LEU A 62 -10.080 4.767 -3.932 1.00 0.42 H new ATOM 0 HD21 LEU A 62 -7.069 5.012 -4.362 1.00 0.32 H new ATOM 0 HD22 LEU A 62 -7.930 3.523 -3.902 1.00 0.32 H new ATOM 0 HD23 LEU A 62 -6.870 3.532 -5.331 1.00 0.32 H new ATOM 1008 N ALA A 63 -8.217 3.496 -9.032 1.00 0.44 N ATOM 1009 CA ALA A 63 -7.238 4.133 -9.961 1.00 0.48 C ATOM 1010 C ALA A 63 -7.985 5.100 -10.883 1.00 0.57 C ATOM 1011 O ALA A 63 -7.487 6.152 -11.232 1.00 0.66 O ATOM 1012 CB ALA A 63 -6.541 3.052 -10.796 1.00 0.55 C ATOM 0 H ALA A 63 -8.117 2.488 -8.916 1.00 0.44 H new ATOM 0 HA ALA A 63 -6.487 4.678 -9.390 1.00 0.48 H new ATOM 0 HB1 ALA A 63 -5.827 3.520 -11.474 1.00 0.55 H new ATOM 0 HB2 ALA A 63 -6.016 2.363 -10.134 1.00 0.55 H new ATOM 0 HB3 ALA A 63 -7.284 2.504 -11.375 1.00 0.55 H new ATOM 1018 N LEU A 64 -9.183 4.756 -11.267 1.00 0.61 N ATOM 1019 CA LEU A 64 -9.977 5.655 -12.153 1.00 0.71 C ATOM 1020 C LEU A 64 -10.805 6.603 -11.286 1.00 0.72 C ATOM 1021 O LEU A 64 -11.089 7.719 -11.661 1.00 0.81 O ATOM 1022 CB LEU A 64 -10.916 4.811 -13.015 1.00 0.80 C ATOM 1023 CG LEU A 64 -10.090 3.963 -13.978 1.00 0.84 C ATOM 1024 CD1 LEU A 64 -10.832 2.661 -14.278 1.00 0.96 C ATOM 1025 CD2 LEU A 64 -9.875 4.737 -15.280 1.00 0.94 C ATOM 0 H LEU A 64 -9.649 3.887 -11.004 1.00 0.61 H new ATOM 0 HA LEU A 64 -9.308 6.229 -12.794 1.00 0.71 H new ATOM 0 HB2 LEU A 64 -11.531 4.170 -12.383 1.00 0.80 H new ATOM 0 HB3 LEU A 64 -11.596 5.456 -13.572 1.00 0.80 H new ATOM 0 HG LEU A 64 -9.125 3.735 -13.525 1.00 0.84 H new ATOM 0 HD11 LEU A 64 -10.241 2.056 -14.966 1.00 0.96 H new ATOM 0 HD12 LEU A 64 -10.988 2.109 -13.351 1.00 0.96 H new ATOM 0 HD13 LEU A 64 -11.797 2.888 -14.731 1.00 0.96 H new ATOM 0 HD21 LEU A 64 -9.285 4.133 -15.969 1.00 0.94 H new ATOM 0 HD22 LEU A 64 -10.841 4.964 -15.732 1.00 0.94 H new ATOM 0 HD23 LEU A 64 -9.346 5.666 -15.068 1.00 0.94 H new ATOM 1037 N TYR A 65 -11.191 6.160 -10.127 1.00 0.66 N ATOM 1038 CA TYR A 65 -12.000 7.028 -9.226 1.00 0.69 C ATOM 1039 C TYR A 65 -11.261 8.349 -9.005 1.00 0.73 C ATOM 1040 O TYR A 65 -11.862 9.396 -8.861 1.00 0.83 O ATOM 1041 CB TYR A 65 -12.198 6.315 -7.888 1.00 0.60 C ATOM 1042 CG TYR A 65 -12.875 7.244 -6.913 1.00 0.63 C ATOM 1043 CD1 TYR A 65 -14.272 7.359 -6.908 1.00 0.67 C ATOM 1044 CD2 TYR A 65 -12.106 7.988 -6.009 1.00 0.64 C ATOM 1045 CE1 TYR A 65 -14.898 8.219 -5.996 1.00 0.72 C ATOM 1046 CE2 TYR A 65 -12.733 8.846 -5.098 1.00 0.70 C ATOM 1047 CZ TYR A 65 -14.128 8.961 -5.091 1.00 0.73 C ATOM 1048 OH TYR A 65 -14.746 9.808 -4.193 1.00 0.80 O ATOM 0 H TYR A 65 -10.982 5.231 -9.761 1.00 0.66 H new ATOM 0 HA TYR A 65 -12.972 7.229 -9.676 1.00 0.69 H new ATOM 0 HB2 TYR A 65 -12.801 5.418 -8.029 1.00 0.60 H new ATOM 0 HB3 TYR A 65 -11.235 5.993 -7.490 1.00 0.60 H new ATOM 0 HD1 TYR A 65 -14.865 6.786 -7.606 1.00 0.67 H new ATOM 0 HD2 TYR A 65 -11.030 7.900 -6.015 1.00 0.64 H new ATOM 0 HE1 TYR A 65 -15.974 8.310 -5.991 1.00 0.72 H new ATOM 0 HE2 TYR A 65 -12.140 9.419 -4.400 1.00 0.70 H new ATOM 0 HH TYR A 65 -14.068 10.246 -3.637 1.00 0.80 H new ATOM 1058 N ASN A 66 -9.959 8.305 -8.987 1.00 0.68 N ATOM 1059 CA ASN A 66 -9.162 9.547 -8.787 1.00 0.76 C ATOM 1060 C ASN A 66 -8.839 10.149 -10.150 1.00 0.85 C ATOM 1061 O ASN A 66 -9.047 11.320 -10.399 1.00 0.96 O ATOM 1062 CB ASN A 66 -7.855 9.188 -8.094 1.00 0.70 C ATOM 1063 CG ASN A 66 -7.354 10.384 -7.282 1.00 0.79 C ATOM 1064 OD1 ASN A 66 -7.572 10.457 -6.089 1.00 1.32 O ATOM 1065 ND2 ASN A 66 -6.688 11.332 -7.883 1.00 1.16 N ATOM 0 H ASN A 66 -9.408 7.455 -9.103 1.00 0.68 H new ATOM 0 HA ASN A 66 -9.726 10.258 -8.183 1.00 0.76 H new ATOM 0 HB2 ASN A 66 -8.004 8.329 -7.440 1.00 0.70 H new ATOM 0 HB3 ASN A 66 -7.108 8.900 -8.833 1.00 0.70 H new ATOM 0 HD21 ASN A 66 -6.350 12.134 -7.351 1.00 1.16 H new ATOM 0 HD22 ASN A 66 -6.505 11.271 -8.885 1.00 1.16 H new ATOM 1072 N GLN A 67 -8.332 9.338 -11.036 1.00 0.82 N ATOM 1073 CA GLN A 67 -7.984 9.822 -12.401 1.00 0.92 C ATOM 1074 C GLN A 67 -9.218 10.428 -13.070 1.00 1.04 C ATOM 1075 O GLN A 67 -9.126 11.099 -14.079 1.00 1.16 O ATOM 1076 CB GLN A 67 -7.488 8.638 -13.230 1.00 0.86 C ATOM 1077 CG GLN A 67 -5.970 8.510 -13.083 1.00 0.83 C ATOM 1078 CD GLN A 67 -5.281 9.277 -14.213 1.00 1.43 C ATOM 1079 OE1 GLN A 67 -5.705 9.217 -15.351 1.00 2.17 O ATOM 1080 NE2 GLN A 67 -4.229 10.001 -13.947 1.00 2.06 N ATOM 0 H GLN A 67 -8.142 8.350 -10.871 1.00 0.82 H new ATOM 0 HA GLN A 67 -7.208 10.584 -12.332 1.00 0.92 H new ATOM 0 HB2 GLN A 67 -7.974 7.720 -12.900 1.00 0.86 H new ATOM 0 HB3 GLN A 67 -7.752 8.779 -14.278 1.00 0.86 H new ATOM 0 HG2 GLN A 67 -5.653 8.903 -12.117 1.00 0.83 H new ATOM 0 HG3 GLN A 67 -5.679 7.460 -13.111 1.00 0.83 H new ATOM 0 HE21 GLN A 67 -3.873 10.052 -12.993 1.00 2.06 H new ATOM 0 HE22 GLN A 67 -3.763 10.516 -14.693 1.00 2.06 H new ATOM 1089 N HIS A 68 -10.369 10.195 -12.515 1.00 1.02 N ATOM 1090 CA HIS A 68 -11.618 10.754 -13.111 1.00 1.16 C ATOM 1091 C HIS A 68 -12.021 12.025 -12.361 1.00 1.26 C ATOM 1092 O HIS A 68 -12.463 12.991 -12.950 1.00 1.41 O ATOM 1093 CB HIS A 68 -12.747 9.727 -13.001 1.00 1.14 C ATOM 1094 CG HIS A 68 -12.774 8.863 -14.231 1.00 1.15 C ATOM 1095 ND1 HIS A 68 -12.044 7.689 -14.333 1.00 1.06 N ATOM 1096 CD2 HIS A 68 -13.455 8.983 -15.416 1.00 1.26 C ATOM 1097 CE1 HIS A 68 -12.303 7.153 -15.538 1.00 1.13 C ATOM 1098 NE2 HIS A 68 -13.157 7.903 -16.240 1.00 1.24 N ATOM 0 H HIS A 68 -10.504 9.639 -11.670 1.00 1.02 H new ATOM 0 HA HIS A 68 -11.439 10.988 -14.160 1.00 1.16 H new ATOM 0 HB2 HIS A 68 -12.603 9.109 -12.115 1.00 1.14 H new ATOM 0 HB3 HIS A 68 -13.703 10.236 -12.883 1.00 1.14 H new ATOM 0 HD2 HIS A 68 -14.122 9.794 -15.670 1.00 1.26 H new ATOM 0 HE1 HIS A 68 -11.873 6.229 -15.895 1.00 1.13 H new ATOM 0 HE2 HIS A 68 -13.514 7.722 -17.178 1.00 1.24 H new ATOM 1106 N ASN A 69 -11.878 12.028 -11.065 1.00 1.20 N ATOM 1107 CA ASN A 69 -12.259 13.234 -10.277 1.00 1.32 C ATOM 1108 C ASN A 69 -11.023 14.115 -10.056 1.00 1.33 C ATOM 1109 O ASN A 69 -10.117 13.732 -9.343 1.00 1.23 O ATOM 1110 CB ASN A 69 -12.813 12.795 -8.919 1.00 1.28 C ATOM 1111 CG ASN A 69 -14.150 12.080 -9.120 1.00 1.37 C ATOM 1112 OD1 ASN A 69 -14.329 11.359 -10.082 1.00 1.77 O ATOM 1113 ND2 ASN A 69 -15.105 12.249 -8.246 1.00 1.71 N ATOM 0 H ASN A 69 -11.514 11.248 -10.517 1.00 1.20 H new ATOM 0 HA ASN A 69 -13.016 13.799 -10.821 1.00 1.32 H new ATOM 0 HB2 ASN A 69 -12.105 12.132 -8.423 1.00 1.28 H new ATOM 0 HB3 ASN A 69 -12.946 13.662 -8.271 1.00 1.28 H new ATOM 0 HD21 ASN A 69 -16.000 11.776 -8.371 1.00 1.71 H new ATOM 0 HD22 ASN A 69 -14.956 12.854 -7.438 1.00 1.71 H new ATOM 1120 N PRO A 70 -11.022 15.273 -10.670 1.00 1.50 N ATOM 1121 CA PRO A 70 -9.907 16.228 -10.549 1.00 1.57 C ATOM 1122 C PRO A 70 -9.983 16.960 -9.207 1.00 1.61 C ATOM 1123 O PRO A 70 -10.803 17.834 -9.011 1.00 1.76 O ATOM 1124 CB PRO A 70 -10.130 17.194 -11.716 1.00 1.76 C ATOM 1125 CG PRO A 70 -11.628 17.091 -12.086 1.00 1.83 C ATOM 1126 CD PRO A 70 -12.124 15.740 -11.537 1.00 1.66 C ATOM 0 HA PRO A 70 -8.926 15.753 -10.583 1.00 1.57 H new ATOM 0 HB2 PRO A 70 -9.869 18.213 -11.432 1.00 1.76 H new ATOM 0 HB3 PRO A 70 -9.501 16.929 -12.566 1.00 1.76 H new ATOM 0 HG2 PRO A 70 -12.192 17.916 -11.652 1.00 1.83 H new ATOM 0 HG3 PRO A 70 -11.765 17.144 -13.166 1.00 1.83 H new ATOM 0 HD2 PRO A 70 -13.051 15.855 -10.975 1.00 1.66 H new ATOM 0 HD3 PRO A 70 -12.324 15.033 -12.342 1.00 1.66 H new ATOM 1134 N GLY A 71 -9.137 16.605 -8.280 1.00 1.52 N ATOM 1135 CA GLY A 71 -9.164 17.275 -6.950 1.00 1.57 C ATOM 1136 C GLY A 71 -9.434 16.234 -5.862 1.00 1.45 C ATOM 1137 O GLY A 71 -9.787 16.563 -4.747 1.00 1.57 O ATOM 0 H GLY A 71 -8.428 15.880 -8.386 1.00 1.52 H new ATOM 0 HA2 GLY A 71 -8.213 17.775 -6.763 1.00 1.57 H new ATOM 0 HA3 GLY A 71 -9.937 18.044 -6.933 1.00 1.57 H new ATOM 1141 N ALA A 72 -9.265 14.978 -6.176 1.00 1.27 N ATOM 1142 CA ALA A 72 -9.506 13.916 -5.162 1.00 1.16 C ATOM 1143 C ALA A 72 -8.181 13.237 -4.826 1.00 1.04 C ATOM 1144 O ALA A 72 -7.473 12.764 -5.692 1.00 0.98 O ATOM 1145 CB ALA A 72 -10.480 12.879 -5.720 1.00 1.12 C ATOM 0 H ALA A 72 -8.970 14.643 -7.093 1.00 1.27 H new ATOM 0 HA ALA A 72 -9.933 14.361 -4.263 1.00 1.16 H new ATOM 0 HB1 ALA A 72 -10.653 12.104 -4.974 1.00 1.12 H new ATOM 0 HB2 ALA A 72 -11.425 13.363 -5.966 1.00 1.12 H new ATOM 0 HB3 ALA A 72 -10.058 12.430 -6.619 1.00 1.12 H new ATOM 1151 N SER A 73 -7.842 13.190 -3.573 1.00 1.06 N ATOM 1152 CA SER A 73 -6.561 12.546 -3.169 1.00 1.03 C ATOM 1153 C SER A 73 -6.842 11.148 -2.615 1.00 0.89 C ATOM 1154 O SER A 73 -6.101 10.635 -1.800 1.00 1.03 O ATOM 1155 CB SER A 73 -5.883 13.394 -2.091 1.00 1.22 C ATOM 1156 OG SER A 73 -5.546 14.663 -2.635 1.00 1.90 O ATOM 0 H SER A 73 -8.397 13.570 -2.806 1.00 1.06 H new ATOM 0 HA SER A 73 -5.906 12.467 -4.037 1.00 1.03 H new ATOM 0 HB2 SER A 73 -6.549 13.517 -1.237 1.00 1.22 H new ATOM 0 HB3 SER A 73 -4.987 12.892 -1.727 1.00 1.22 H new ATOM 0 HG SER A 73 -5.113 15.210 -1.946 1.00 1.90 H new ATOM 1162 N ALA A 74 -7.903 10.525 -3.051 1.00 0.77 N ATOM 1163 CA ALA A 74 -8.219 9.161 -2.544 1.00 0.63 C ATOM 1164 C ALA A 74 -7.620 8.116 -3.487 1.00 0.53 C ATOM 1165 O ALA A 74 -8.009 6.965 -3.483 1.00 0.63 O ATOM 1166 CB ALA A 74 -9.737 8.977 -2.464 1.00 0.61 C ATOM 0 H ALA A 74 -8.562 10.900 -3.733 1.00 0.77 H new ATOM 0 HA ALA A 74 -7.793 9.037 -1.549 1.00 0.63 H new ATOM 0 HB1 ALA A 74 -9.963 7.978 -2.093 1.00 0.61 H new ATOM 0 HB2 ALA A 74 -10.158 9.720 -1.787 1.00 0.61 H new ATOM 0 HB3 ALA A 74 -10.171 9.102 -3.456 1.00 0.61 H new ATOM 1172 N ALA A 75 -6.669 8.508 -4.289 1.00 0.49 N ATOM 1173 CA ALA A 75 -6.032 7.542 -5.227 1.00 0.41 C ATOM 1174 C ALA A 75 -5.558 6.318 -4.432 1.00 0.32 C ATOM 1175 O ALA A 75 -5.814 6.226 -3.248 1.00 0.34 O ATOM 1176 CB ALA A 75 -4.840 8.224 -5.902 1.00 0.48 C ATOM 0 H ALA A 75 -6.304 9.460 -4.335 1.00 0.49 H new ATOM 0 HA ALA A 75 -6.743 7.222 -5.988 1.00 0.41 H new ATOM 0 HB1 ALA A 75 -4.365 7.527 -6.592 1.00 0.48 H new ATOM 0 HB2 ALA A 75 -5.185 9.100 -6.452 1.00 0.48 H new ATOM 0 HB3 ALA A 75 -4.120 8.532 -5.144 1.00 0.48 H new ATOM 1182 N PRO A 76 -4.883 5.409 -5.095 1.00 0.28 N ATOM 1183 CA PRO A 76 -4.378 4.187 -4.447 1.00 0.27 C ATOM 1184 C PRO A 76 -3.121 4.507 -3.640 1.00 0.32 C ATOM 1185 O PRO A 76 -2.858 5.648 -3.315 1.00 0.37 O ATOM 1186 CB PRO A 76 -4.055 3.259 -5.618 1.00 0.29 C ATOM 1187 CG PRO A 76 -3.846 4.172 -6.846 1.00 0.33 C ATOM 1188 CD PRO A 76 -4.557 5.504 -6.534 1.00 0.33 C ATOM 0 HA PRO A 76 -5.089 3.743 -3.750 1.00 0.27 H new ATOM 0 HB2 PRO A 76 -3.160 2.671 -5.413 1.00 0.29 H new ATOM 0 HB3 PRO A 76 -4.868 2.553 -5.791 1.00 0.29 H new ATOM 0 HG2 PRO A 76 -2.784 4.334 -7.031 1.00 0.33 H new ATOM 0 HG3 PRO A 76 -4.260 3.713 -7.744 1.00 0.33 H new ATOM 0 HD2 PRO A 76 -3.912 6.358 -6.741 1.00 0.33 H new ATOM 0 HD3 PRO A 76 -5.455 5.628 -7.139 1.00 0.33 H new ATOM 1196 N CYS A 77 -2.344 3.516 -3.310 1.00 0.35 N ATOM 1197 CA CYS A 77 -1.114 3.787 -2.521 1.00 0.41 C ATOM 1198 C CYS A 77 0.006 2.830 -2.934 1.00 0.42 C ATOM 1199 O CYS A 77 0.093 1.719 -2.454 1.00 0.43 O ATOM 1200 CB CYS A 77 -1.419 3.605 -1.034 1.00 0.45 C ATOM 1201 SG CYS A 77 -0.974 5.116 -0.144 1.00 0.53 S ATOM 0 H CYS A 77 -2.505 2.538 -3.550 1.00 0.35 H new ATOM 0 HA CYS A 77 -0.788 4.810 -2.711 1.00 0.41 H new ATOM 0 HB2 CYS A 77 -2.477 3.384 -0.892 1.00 0.45 H new ATOM 0 HB3 CYS A 77 -0.860 2.757 -0.637 1.00 0.45 H new ATOM 1206 N CYS A 78 0.872 3.258 -3.812 1.00 0.43 N ATOM 1207 CA CYS A 78 2.000 2.379 -4.239 1.00 0.44 C ATOM 1208 C CYS A 78 2.736 1.883 -2.984 1.00 0.42 C ATOM 1209 O CYS A 78 2.936 2.628 -2.045 1.00 0.42 O ATOM 1210 CB CYS A 78 2.951 3.188 -5.131 1.00 0.48 C ATOM 1211 SG CYS A 78 4.255 2.116 -5.785 1.00 0.58 S ATOM 0 H CYS A 78 0.848 4.178 -4.252 1.00 0.43 H new ATOM 0 HA CYS A 78 1.630 1.522 -4.802 1.00 0.44 H new ATOM 0 HB2 CYS A 78 2.395 3.640 -5.953 1.00 0.48 H new ATOM 0 HB3 CYS A 78 3.393 4.004 -4.559 1.00 0.48 H new ATOM 1216 N VAL A 79 3.119 0.629 -2.940 1.00 0.41 N ATOM 1217 CA VAL A 79 3.809 0.104 -1.723 1.00 0.39 C ATOM 1218 C VAL A 79 4.887 -0.922 -2.112 1.00 0.39 C ATOM 1219 O VAL A 79 4.914 -1.392 -3.226 1.00 0.53 O ATOM 1220 CB VAL A 79 2.760 -0.555 -0.816 1.00 0.40 C ATOM 1221 CG1 VAL A 79 1.470 0.255 -0.871 1.00 0.41 C ATOM 1222 CG2 VAL A 79 2.466 -1.980 -1.296 1.00 0.40 C ATOM 0 H VAL A 79 2.984 -0.049 -3.690 1.00 0.41 H new ATOM 0 HA VAL A 79 4.298 0.924 -1.198 1.00 0.39 H new ATOM 0 HB VAL A 79 3.145 -0.588 0.203 1.00 0.40 H new ATOM 0 HG11 VAL A 79 0.722 -0.209 -0.229 1.00 0.41 H new ATOM 0 HG12 VAL A 79 1.664 1.271 -0.528 1.00 0.41 H new ATOM 0 HG13 VAL A 79 1.101 0.283 -1.896 1.00 0.41 H new ATOM 0 HG21 VAL A 79 1.721 -2.437 -0.645 1.00 0.40 H new ATOM 0 HG22 VAL A 79 2.086 -1.949 -2.317 1.00 0.40 H new ATOM 0 HG23 VAL A 79 3.382 -2.570 -1.268 1.00 0.40 H new ATOM 1232 N PRO A 80 5.740 -1.245 -1.166 1.00 0.30 N ATOM 1233 CA PRO A 80 6.830 -2.220 -1.374 1.00 0.33 C ATOM 1234 C PRO A 80 6.284 -3.650 -1.359 1.00 0.48 C ATOM 1235 O PRO A 80 6.109 -4.248 -0.315 1.00 0.74 O ATOM 1236 CB PRO A 80 7.766 -1.977 -0.187 1.00 0.29 C ATOM 1237 CG PRO A 80 6.914 -1.295 0.908 1.00 0.30 C ATOM 1238 CD PRO A 80 5.695 -0.676 0.197 1.00 0.27 C ATOM 0 HA PRO A 80 7.331 -2.100 -2.334 1.00 0.33 H new ATOM 0 HB2 PRO A 80 8.185 -2.916 0.175 1.00 0.29 H new ATOM 0 HB3 PRO A 80 8.605 -1.344 -0.477 1.00 0.29 H new ATOM 0 HG2 PRO A 80 6.598 -2.019 1.659 1.00 0.30 H new ATOM 0 HG3 PRO A 80 7.491 -0.529 1.426 1.00 0.30 H new ATOM 0 HD2 PRO A 80 4.765 -0.933 0.705 1.00 0.27 H new ATOM 0 HD3 PRO A 80 5.757 0.412 0.176 1.00 0.27 H new ATOM 1246 N GLN A 81 6.015 -4.204 -2.510 1.00 0.58 N ATOM 1247 CA GLN A 81 5.485 -5.594 -2.565 1.00 0.72 C ATOM 1248 C GLN A 81 6.569 -6.568 -2.101 1.00 0.77 C ATOM 1249 O GLN A 81 6.476 -7.157 -1.043 1.00 0.87 O ATOM 1250 CB GLN A 81 5.082 -5.927 -4.003 1.00 0.84 C ATOM 1251 CG GLN A 81 4.826 -7.430 -4.125 1.00 1.11 C ATOM 1252 CD GLN A 81 3.960 -7.704 -5.356 1.00 1.47 C ATOM 1253 OE1 GLN A 81 3.639 -6.800 -6.101 1.00 2.03 O ATOM 1254 NE2 GLN A 81 3.565 -8.924 -5.602 1.00 2.18 N ATOM 0 H GLN A 81 6.140 -3.752 -3.416 1.00 0.58 H new ATOM 0 HA GLN A 81 4.615 -5.680 -1.914 1.00 0.72 H new ATOM 0 HB2 GLN A 81 4.186 -5.371 -4.279 1.00 0.84 H new ATOM 0 HB3 GLN A 81 5.870 -5.624 -4.692 1.00 0.84 H new ATOM 0 HG2 GLN A 81 5.772 -7.965 -4.207 1.00 1.11 H new ATOM 0 HG3 GLN A 81 4.328 -7.798 -3.228 1.00 1.11 H new ATOM 0 HE21 GLN A 81 3.835 -9.683 -4.976 1.00 2.18 H new ATOM 0 HE22 GLN A 81 2.987 -9.118 -6.420 1.00 2.18 H new ATOM 1263 N ALA A 82 7.600 -6.736 -2.882 1.00 0.77 N ATOM 1264 CA ALA A 82 8.692 -7.665 -2.482 1.00 0.88 C ATOM 1265 C ALA A 82 9.692 -6.907 -1.612 1.00 0.83 C ATOM 1266 O ALA A 82 9.994 -5.757 -1.860 1.00 1.04 O ATOM 1267 CB ALA A 82 9.397 -8.195 -3.732 1.00 0.99 C ATOM 0 H ALA A 82 7.733 -6.270 -3.780 1.00 0.77 H new ATOM 0 HA ALA A 82 8.278 -8.504 -1.923 1.00 0.88 H new ATOM 0 HB1 ALA A 82 10.196 -8.875 -3.438 1.00 0.99 H new ATOM 0 HB2 ALA A 82 8.679 -8.727 -4.357 1.00 0.99 H new ATOM 0 HB3 ALA A 82 9.818 -7.361 -4.293 1.00 0.99 H new ATOM 1273 N LEU A 83 10.207 -7.533 -0.592 1.00 0.83 N ATOM 1274 CA LEU A 83 11.180 -6.834 0.286 1.00 0.77 C ATOM 1275 C LEU A 83 12.469 -7.639 0.370 1.00 0.86 C ATOM 1276 O LEU A 83 12.681 -8.589 -0.357 1.00 0.94 O ATOM 1277 CB LEU A 83 10.594 -6.686 1.690 1.00 0.77 C ATOM 1278 CG LEU A 83 9.398 -5.742 1.639 1.00 0.65 C ATOM 1279 CD1 LEU A 83 8.393 -6.127 2.725 1.00 0.73 C ATOM 1280 CD2 LEU A 83 9.876 -4.309 1.869 1.00 0.48 C ATOM 0 H LEU A 83 9.996 -8.496 -0.330 1.00 0.83 H new ATOM 0 HA LEU A 83 11.389 -5.849 -0.131 1.00 0.77 H new ATOM 0 HB2 LEU A 83 10.288 -7.659 2.073 1.00 0.77 H new ATOM 0 HB3 LEU A 83 11.350 -6.298 2.373 1.00 0.77 H new ATOM 0 HG LEU A 83 8.918 -5.815 0.663 1.00 0.65 H new ATOM 0 HD11 LEU A 83 7.539 -5.451 2.687 1.00 0.73 H new ATOM 0 HD12 LEU A 83 8.054 -7.150 2.561 1.00 0.73 H new ATOM 0 HD13 LEU A 83 8.869 -6.055 3.703 1.00 0.73 H new ATOM 0 HD21 LEU A 83 9.023 -3.631 1.833 1.00 0.48 H new ATOM 0 HD22 LEU A 83 10.356 -4.238 2.845 1.00 0.48 H new ATOM 0 HD23 LEU A 83 10.590 -4.035 1.093 1.00 0.48 H new ATOM 1292 N GLU A 84 13.324 -7.258 1.265 1.00 0.86 N ATOM 1293 CA GLU A 84 14.612 -7.979 1.437 1.00 0.96 C ATOM 1294 C GLU A 84 15.016 -7.902 2.907 1.00 1.01 C ATOM 1295 O GLU A 84 14.566 -7.030 3.623 1.00 0.95 O ATOM 1296 CB GLU A 84 15.689 -7.323 0.571 1.00 0.91 C ATOM 1297 CG GLU A 84 15.878 -8.135 -0.712 1.00 0.97 C ATOM 1298 CD GLU A 84 17.371 -8.266 -1.019 1.00 1.31 C ATOM 1299 OE1 GLU A 84 18.147 -7.559 -0.398 1.00 2.00 O ATOM 1300 OE2 GLU A 84 17.713 -9.070 -1.870 1.00 1.83 O ATOM 0 H GLU A 84 13.187 -6.468 1.895 1.00 0.86 H new ATOM 0 HA GLU A 84 14.502 -9.020 1.133 1.00 0.96 H new ATOM 0 HB2 GLU A 84 15.402 -6.300 0.327 1.00 0.91 H new ATOM 0 HB3 GLU A 84 16.629 -7.268 1.121 1.00 0.91 H new ATOM 0 HG2 GLU A 84 15.431 -9.123 -0.599 1.00 0.97 H new ATOM 0 HG3 GLU A 84 15.367 -7.647 -1.542 1.00 0.97 H new ATOM 1307 N PRO A 85 15.849 -8.817 3.318 1.00 1.13 N ATOM 1308 CA PRO A 85 16.326 -8.875 4.707 1.00 1.20 C ATOM 1309 C PRO A 85 17.360 -7.777 4.966 1.00 1.15 C ATOM 1310 O PRO A 85 17.446 -6.810 4.235 1.00 1.05 O ATOM 1311 CB PRO A 85 16.937 -10.273 4.822 1.00 1.35 C ATOM 1312 CG PRO A 85 17.270 -10.722 3.381 1.00 1.34 C ATOM 1313 CD PRO A 85 16.398 -9.869 2.441 1.00 1.21 C ATOM 0 HA PRO A 85 15.538 -8.710 5.442 1.00 1.20 H new ATOM 0 HB2 PRO A 85 17.834 -10.255 5.441 1.00 1.35 H new ATOM 0 HB3 PRO A 85 16.239 -10.965 5.293 1.00 1.35 H new ATOM 0 HG2 PRO A 85 18.329 -10.577 3.165 1.00 1.34 H new ATOM 0 HG3 PRO A 85 17.060 -11.783 3.248 1.00 1.34 H new ATOM 0 HD2 PRO A 85 16.986 -9.444 1.628 1.00 1.21 H new ATOM 0 HD3 PRO A 85 15.605 -10.462 1.985 1.00 1.21 H new ATOM 1321 N LEU A 86 18.127 -7.903 6.011 1.00 1.23 N ATOM 1322 CA LEU A 86 19.131 -6.848 6.325 1.00 1.20 C ATOM 1323 C LEU A 86 20.133 -7.397 7.354 1.00 1.33 C ATOM 1324 O LEU A 86 19.789 -7.586 8.501 1.00 1.38 O ATOM 1325 CB LEU A 86 18.366 -5.623 6.877 1.00 1.12 C ATOM 1326 CG LEU A 86 19.194 -4.829 7.901 1.00 1.16 C ATOM 1327 CD1 LEU A 86 20.002 -3.741 7.199 1.00 1.16 C ATOM 1328 CD2 LEU A 86 18.247 -4.170 8.904 1.00 1.16 C ATOM 0 H LEU A 86 18.103 -8.689 6.661 1.00 1.23 H new ATOM 0 HA LEU A 86 19.693 -6.552 5.439 1.00 1.20 H new ATOM 0 HB2 LEU A 86 18.089 -4.968 6.051 1.00 1.12 H new ATOM 0 HB3 LEU A 86 17.439 -5.957 7.343 1.00 1.12 H new ATOM 0 HG LEU A 86 19.876 -5.510 8.411 1.00 1.16 H new ATOM 0 HD11 LEU A 86 20.583 -3.187 7.936 1.00 1.16 H new ATOM 0 HD12 LEU A 86 20.676 -4.198 6.475 1.00 1.16 H new ATOM 0 HD13 LEU A 86 19.325 -3.060 6.684 1.00 1.16 H new ATOM 0 HD21 LEU A 86 18.826 -3.605 9.634 1.00 1.16 H new ATOM 0 HD22 LEU A 86 17.571 -3.497 8.378 1.00 1.16 H new ATOM 0 HD23 LEU A 86 17.668 -4.938 9.417 1.00 1.16 H new ATOM 1340 N PRO A 87 21.349 -7.624 6.918 1.00 1.38 N ATOM 1341 CA PRO A 87 22.419 -8.139 7.793 1.00 1.50 C ATOM 1342 C PRO A 87 22.909 -7.023 8.714 1.00 1.50 C ATOM 1343 O PRO A 87 23.548 -6.083 8.283 1.00 1.47 O ATOM 1344 CB PRO A 87 23.510 -8.579 6.813 1.00 1.54 C ATOM 1345 CG PRO A 87 23.256 -7.798 5.502 1.00 1.43 C ATOM 1346 CD PRO A 87 21.774 -7.380 5.524 1.00 1.33 C ATOM 0 HA PRO A 87 22.102 -8.955 8.442 1.00 1.50 H new ATOM 0 HB2 PRO A 87 24.501 -8.360 7.210 1.00 1.54 H new ATOM 0 HB3 PRO A 87 23.467 -9.654 6.640 1.00 1.54 H new ATOM 0 HG2 PRO A 87 23.905 -6.924 5.439 1.00 1.43 H new ATOM 0 HG3 PRO A 87 23.471 -8.419 4.632 1.00 1.43 H new ATOM 0 HD2 PRO A 87 21.652 -6.333 5.248 1.00 1.33 H new ATOM 0 HD3 PRO A 87 21.184 -7.966 4.819 1.00 1.33 H new ATOM 1354 N ILE A 88 22.593 -7.106 9.975 1.00 1.55 N ATOM 1355 CA ILE A 88 23.017 -6.036 10.917 1.00 1.57 C ATOM 1356 C ILE A 88 23.910 -6.606 12.011 1.00 1.71 C ATOM 1357 O ILE A 88 24.453 -7.686 11.906 1.00 1.79 O ATOM 1358 CB ILE A 88 21.778 -5.424 11.576 1.00 1.51 C ATOM 1359 CG1 ILE A 88 21.261 -6.363 12.671 1.00 1.59 C ATOM 1360 CG2 ILE A 88 20.687 -5.239 10.532 1.00 1.39 C ATOM 1361 CD1 ILE A 88 19.888 -5.897 13.141 1.00 1.53 C ATOM 0 H ILE A 88 22.060 -7.868 10.394 1.00 1.55 H new ATOM 0 HA ILE A 88 23.569 -5.282 10.357 1.00 1.57 H new ATOM 0 HB ILE A 88 22.043 -4.460 12.011 1.00 1.51 H new ATOM 0 HG12 ILE A 88 21.199 -7.382 12.290 1.00 1.59 H new ATOM 0 HG13 ILE A 88 21.957 -6.378 13.509 1.00 1.59 H new ATOM 0 HG21 ILE A 88 19.805 -4.803 11.001 1.00 1.39 H new ATOM 0 HG22 ILE A 88 21.045 -4.575 9.745 1.00 1.39 H new ATOM 0 HG23 ILE A 88 20.428 -6.206 10.101 1.00 1.39 H new ATOM 0 HD11 ILE A 88 19.523 -6.567 13.920 1.00 1.53 H new ATOM 0 HD12 ILE A 88 19.964 -4.885 13.539 1.00 1.53 H new ATOM 0 HD13 ILE A 88 19.194 -5.905 12.301 1.00 1.53 H new ATOM 1373 N VAL A 89 24.017 -5.870 13.078 1.00 1.74 N ATOM 1374 CA VAL A 89 24.824 -6.302 14.245 1.00 1.87 C ATOM 1375 C VAL A 89 24.430 -5.436 15.436 1.00 1.89 C ATOM 1376 O VAL A 89 24.715 -4.257 15.473 1.00 1.86 O ATOM 1377 CB VAL A 89 26.318 -6.107 13.977 1.00 1.94 C ATOM 1378 CG1 VAL A 89 27.112 -6.810 15.077 1.00 2.10 C ATOM 1379 CG2 VAL A 89 26.696 -6.695 12.617 1.00 1.89 C ATOM 0 H VAL A 89 23.566 -4.962 13.191 1.00 1.74 H new ATOM 0 HA VAL A 89 24.638 -7.358 14.438 1.00 1.87 H new ATOM 0 HB VAL A 89 26.548 -5.041 13.971 1.00 1.94 H new ATOM 0 HG11 VAL A 89 28.179 -6.678 14.897 1.00 2.10 H new ATOM 0 HG12 VAL A 89 26.852 -6.381 16.045 1.00 2.10 H new ATOM 0 HG13 VAL A 89 26.873 -7.873 15.076 1.00 2.10 H new ATOM 0 HG21 VAL A 89 27.762 -6.549 12.441 1.00 1.89 H new ATOM 0 HG22 VAL A 89 26.470 -7.761 12.606 1.00 1.89 H new ATOM 0 HG23 VAL A 89 26.127 -6.195 11.833 1.00 1.89 H new ATOM 1389 N TYR A 90 23.774 -5.998 16.407 1.00 1.95 N ATOM 1390 CA TYR A 90 23.366 -5.182 17.580 1.00 1.97 C ATOM 1391 C TYR A 90 23.970 -5.767 18.854 1.00 2.14 C ATOM 1392 O TYR A 90 24.791 -6.661 18.810 1.00 2.25 O ATOM 1393 CB TYR A 90 21.842 -5.167 17.689 1.00 1.89 C ATOM 1394 CG TYR A 90 21.280 -6.513 17.303 1.00 1.91 C ATOM 1395 CD1 TYR A 90 21.082 -6.823 15.954 1.00 1.84 C ATOM 1396 CD2 TYR A 90 20.949 -7.447 18.291 1.00 2.02 C ATOM 1397 CE1 TYR A 90 20.553 -8.066 15.589 1.00 1.87 C ATOM 1398 CE2 TYR A 90 20.420 -8.691 17.927 1.00 2.05 C ATOM 1399 CZ TYR A 90 20.222 -9.001 16.576 1.00 1.98 C ATOM 1400 OH TYR A 90 19.701 -10.227 16.218 1.00 2.03 O ATOM 0 H TYR A 90 23.503 -6.981 16.441 1.00 1.95 H new ATOM 0 HA TYR A 90 23.728 -4.162 17.451 1.00 1.97 H new ATOM 0 HB2 TYR A 90 21.545 -4.919 18.708 1.00 1.89 H new ATOM 0 HB3 TYR A 90 21.431 -4.393 17.040 1.00 1.89 H new ATOM 0 HD1 TYR A 90 21.338 -6.102 15.192 1.00 1.84 H new ATOM 0 HD2 TYR A 90 21.101 -7.208 19.333 1.00 2.02 H new ATOM 0 HE1 TYR A 90 20.400 -8.303 14.547 1.00 1.87 H new ATOM 0 HE2 TYR A 90 20.164 -9.412 18.689 1.00 2.05 H new ATOM 0 HH TYR A 90 19.527 -10.757 17.024 1.00 2.03 H new ATOM 1410 N TYR A 91 23.581 -5.260 19.989 1.00 2.18 N ATOM 1411 CA TYR A 91 24.142 -5.776 21.263 1.00 2.35 C ATOM 1412 C TYR A 91 23.021 -6.179 22.217 1.00 2.40 C ATOM 1413 O TYR A 91 22.053 -5.467 22.399 1.00 2.34 O ATOM 1414 CB TYR A 91 24.972 -4.682 21.924 1.00 2.41 C ATOM 1415 CG TYR A 91 26.412 -4.824 21.514 1.00 2.47 C ATOM 1416 CD1 TYR A 91 26.874 -4.174 20.368 1.00 2.36 C ATOM 1417 CD2 TYR A 91 27.284 -5.595 22.287 1.00 2.64 C ATOM 1418 CE1 TYR A 91 28.217 -4.296 19.990 1.00 2.43 C ATOM 1419 CE2 TYR A 91 28.626 -5.716 21.916 1.00 2.70 C ATOM 1420 CZ TYR A 91 29.094 -5.067 20.766 1.00 2.60 C ATOM 1421 OH TYR A 91 30.419 -5.186 20.397 1.00 2.68 O ATOM 0 H TYR A 91 22.898 -4.509 20.088 1.00 2.18 H new ATOM 0 HA TYR A 91 24.759 -6.647 21.045 1.00 2.35 H new ATOM 0 HB2 TYR A 91 24.596 -3.701 21.634 1.00 2.41 H new ATOM 0 HB3 TYR A 91 24.884 -4.750 23.008 1.00 2.41 H new ATOM 0 HD1 TYR A 91 26.197 -3.578 19.774 1.00 2.36 H new ATOM 0 HD2 TYR A 91 26.921 -6.098 23.171 1.00 2.64 H new ATOM 0 HE1 TYR A 91 28.577 -3.797 19.102 1.00 2.43 H new ATOM 0 HE2 TYR A 91 29.301 -6.309 22.515 1.00 2.70 H new ATOM 0 HH TYR A 91 30.889 -5.754 21.043 1.00 2.68 H new ATOM 1431 N VAL A 92 23.171 -7.302 22.852 1.00 2.54 N ATOM 1432 CA VAL A 92 22.150 -7.757 23.832 1.00 2.61 C ATOM 1433 C VAL A 92 22.801 -7.759 25.208 1.00 2.78 C ATOM 1434 O VAL A 92 23.446 -8.711 25.599 1.00 2.91 O ATOM 1435 CB VAL A 92 21.678 -9.167 23.493 1.00 2.66 C ATOM 1436 CG1 VAL A 92 20.229 -9.326 23.946 1.00 2.67 C ATOM 1437 CG2 VAL A 92 21.776 -9.393 21.983 1.00 2.54 C ATOM 0 H VAL A 92 23.965 -7.932 22.734 1.00 2.54 H new ATOM 0 HA VAL A 92 21.287 -7.092 23.808 1.00 2.61 H new ATOM 0 HB VAL A 92 22.305 -9.899 24.002 1.00 2.66 H new ATOM 0 HG11 VAL A 92 19.882 -10.331 23.708 1.00 2.67 H new ATOM 0 HG12 VAL A 92 20.164 -9.165 25.022 1.00 2.67 H new ATOM 0 HG13 VAL A 92 19.605 -8.595 23.432 1.00 2.67 H new ATOM 0 HG21 VAL A 92 21.438 -10.401 21.743 1.00 2.54 H new ATOM 0 HG22 VAL A 92 21.149 -8.667 21.465 1.00 2.54 H new ATOM 0 HG23 VAL A 92 22.811 -9.272 21.663 1.00 2.54 H new ATOM 1447 N GLY A 93 22.663 -6.690 25.934 1.00 2.78 N ATOM 1448 CA GLY A 93 23.306 -6.619 27.274 1.00 2.95 C ATOM 1449 C GLY A 93 24.811 -6.413 27.079 1.00 2.99 C ATOM 1450 O GLY A 93 25.309 -5.307 27.144 1.00 2.98 O ATOM 0 H GLY A 93 22.134 -5.862 25.660 1.00 2.78 H new ATOM 0 HA2 GLY A 93 22.883 -5.799 27.854 1.00 2.95 H new ATOM 0 HA3 GLY A 93 23.118 -7.535 27.834 1.00 2.95 H new ATOM 1454 N ARG A 94 25.538 -7.472 26.839 1.00 3.06 N ATOM 1455 CA ARG A 94 27.013 -7.339 26.639 1.00 3.12 C ATOM 1456 C ARG A 94 27.492 -8.275 25.523 1.00 3.09 C ATOM 1457 O ARG A 94 28.654 -8.281 25.168 1.00 3.14 O ATOM 1458 CB ARG A 94 27.721 -7.718 27.933 1.00 3.31 C ATOM 1459 CG ARG A 94 27.170 -6.876 29.086 1.00 3.37 C ATOM 1460 CD ARG A 94 28.327 -6.195 29.820 1.00 3.87 C ATOM 1461 NE ARG A 94 27.811 -5.525 31.047 1.00 4.42 N ATOM 1462 CZ ARG A 94 27.961 -4.237 31.199 1.00 4.98 C ATOM 1463 NH1 ARG A 94 27.593 -3.421 30.250 1.00 5.55 N ATOM 1464 NH2 ARG A 94 28.478 -3.767 32.301 1.00 5.32 N ATOM 0 H ARG A 94 25.176 -8.423 26.773 1.00 3.06 H new ATOM 0 HA ARG A 94 27.241 -6.310 26.362 1.00 3.12 H new ATOM 0 HB2 ARG A 94 27.576 -8.778 28.142 1.00 3.31 H new ATOM 0 HB3 ARG A 94 28.794 -7.557 27.833 1.00 3.31 H new ATOM 0 HG2 ARG A 94 26.477 -6.127 28.704 1.00 3.37 H new ATOM 0 HG3 ARG A 94 26.609 -7.507 29.775 1.00 3.37 H new ATOM 0 HD2 ARG A 94 29.086 -6.931 30.086 1.00 3.87 H new ATOM 0 HD3 ARG A 94 28.806 -5.465 29.168 1.00 3.87 H new ATOM 0 HE ARG A 94 27.341 -6.072 31.768 1.00 4.42 H new ATOM 0 HH11 ARG A 94 27.188 -3.789 29.389 1.00 5.55 H new ATOM 0 HH12 ARG A 94 27.710 -2.415 30.369 1.00 5.55 H new ATOM 0 HH21 ARG A 94 28.765 -4.406 33.043 1.00 5.32 H new ATOM 0 HH22 ARG A 94 28.596 -2.761 32.421 1.00 5.32 H new ATOM 1478 N LYS A 95 26.620 -9.070 24.973 1.00 3.03 N ATOM 1479 CA LYS A 95 27.044 -10.004 23.892 1.00 3.02 C ATOM 1480 C LYS A 95 26.572 -9.471 22.534 1.00 2.84 C ATOM 1481 O LYS A 95 25.390 -9.291 22.327 1.00 2.76 O ATOM 1482 CB LYS A 95 26.412 -11.376 24.138 1.00 3.09 C ATOM 1483 CG LYS A 95 27.473 -12.339 24.674 1.00 3.44 C ATOM 1484 CD LYS A 95 26.788 -13.533 25.341 1.00 3.82 C ATOM 1485 CE LYS A 95 26.715 -13.302 26.851 1.00 4.42 C ATOM 1486 NZ LYS A 95 27.808 -14.061 27.523 1.00 5.03 N ATOM 0 H LYS A 95 25.632 -9.115 25.224 1.00 3.03 H new ATOM 0 HA LYS A 95 28.131 -10.088 23.891 1.00 3.02 H new ATOM 0 HB2 LYS A 95 25.592 -11.288 24.851 1.00 3.09 H new ATOM 0 HB3 LYS A 95 25.988 -11.764 23.212 1.00 3.09 H new ATOM 0 HG2 LYS A 95 28.113 -12.681 23.861 1.00 3.44 H new ATOM 0 HG3 LYS A 95 28.115 -11.827 25.391 1.00 3.44 H new ATOM 0 HD2 LYS A 95 25.786 -13.665 24.934 1.00 3.82 H new ATOM 0 HD3 LYS A 95 27.341 -14.448 25.129 1.00 3.82 H new ATOM 0 HE2 LYS A 95 26.807 -12.239 27.072 1.00 4.42 H new ATOM 0 HE3 LYS A 95 25.746 -13.624 27.233 1.00 4.42 H new ATOM 0 HZ1 LYS A 95 27.759 -13.904 28.550 1.00 5.03 H new ATOM 0 HZ2 LYS A 95 27.700 -15.076 27.322 1.00 5.03 H new ATOM 0 HZ3 LYS A 95 28.728 -13.733 27.166 1.00 5.03 H new ATOM 1500 N PRO A 96 27.504 -9.242 21.643 1.00 2.80 N ATOM 1501 CA PRO A 96 27.192 -8.735 20.296 1.00 2.64 C ATOM 1502 C PRO A 96 26.630 -9.867 19.429 1.00 2.59 C ATOM 1503 O PRO A 96 27.101 -10.986 19.478 1.00 2.67 O ATOM 1504 CB PRO A 96 28.547 -8.256 19.767 1.00 2.67 C ATOM 1505 CG PRO A 96 29.623 -9.010 20.582 1.00 2.84 C ATOM 1506 CD PRO A 96 28.943 -9.469 21.886 1.00 2.92 C ATOM 0 HA PRO A 96 26.442 -7.944 20.292 1.00 2.64 H new ATOM 0 HB2 PRO A 96 28.646 -8.469 18.703 1.00 2.67 H new ATOM 0 HB3 PRO A 96 28.652 -7.178 19.888 1.00 2.67 H new ATOM 0 HG2 PRO A 96 30.006 -9.864 20.023 1.00 2.84 H new ATOM 0 HG3 PRO A 96 30.473 -8.362 20.795 1.00 2.84 H new ATOM 0 HD2 PRO A 96 29.151 -10.518 22.096 1.00 2.92 H new ATOM 0 HD3 PRO A 96 29.297 -8.896 22.743 1.00 2.92 H new ATOM 1514 N LYS A 97 25.623 -9.594 18.643 1.00 2.47 N ATOM 1515 CA LYS A 97 25.038 -10.669 17.792 1.00 2.43 C ATOM 1516 C LYS A 97 24.658 -10.107 16.420 1.00 2.29 C ATOM 1517 O LYS A 97 23.937 -9.135 16.314 1.00 2.28 O ATOM 1518 CB LYS A 97 23.784 -11.225 18.472 1.00 2.46 C ATOM 1519 CG LYS A 97 24.107 -11.593 19.922 1.00 2.62 C ATOM 1520 CD LYS A 97 23.551 -12.984 20.232 1.00 2.74 C ATOM 1521 CE LYS A 97 23.763 -13.301 21.713 1.00 3.14 C ATOM 1522 NZ LYS A 97 23.440 -14.733 21.967 1.00 3.54 N ATOM 0 H LYS A 97 25.183 -8.678 18.554 1.00 2.47 H new ATOM 0 HA LYS A 97 25.775 -11.461 17.662 1.00 2.43 H new ATOM 0 HB2 LYS A 97 22.984 -10.485 18.443 1.00 2.46 H new ATOM 0 HB3 LYS A 97 23.425 -12.103 17.935 1.00 2.46 H new ATOM 0 HG2 LYS A 97 25.185 -11.577 20.081 1.00 2.62 H new ATOM 0 HG3 LYS A 97 23.674 -10.857 20.600 1.00 2.62 H new ATOM 0 HD2 LYS A 97 22.489 -13.025 19.989 1.00 2.74 H new ATOM 0 HD3 LYS A 97 24.049 -13.732 19.614 1.00 2.74 H new ATOM 0 HE2 LYS A 97 24.795 -13.095 21.996 1.00 3.14 H new ATOM 0 HE3 LYS A 97 23.130 -12.660 22.327 1.00 3.14 H new ATOM 0 HZ1 LYS A 97 23.584 -14.948 22.974 1.00 3.54 H new ATOM 0 HZ2 LYS A 97 22.448 -14.916 21.713 1.00 3.54 H new ATOM 0 HZ3 LYS A 97 24.062 -15.336 21.392 1.00 3.54 H new ATOM 1536 N VAL A 98 25.124 -10.725 15.368 1.00 2.21 N ATOM 1537 CA VAL A 98 24.776 -10.241 14.002 1.00 2.08 C ATOM 1538 C VAL A 98 23.559 -11.016 13.503 1.00 2.04 C ATOM 1539 O VAL A 98 23.479 -12.219 13.652 1.00 2.14 O ATOM 1540 CB VAL A 98 25.949 -10.487 13.052 1.00 2.12 C ATOM 1541 CG1 VAL A 98 25.570 -10.020 11.644 1.00 2.01 C ATOM 1542 CG2 VAL A 98 27.172 -9.707 13.536 1.00 2.15 C ATOM 0 H VAL A 98 25.731 -11.544 15.396 1.00 2.21 H new ATOM 0 HA VAL A 98 24.558 -9.174 14.036 1.00 2.08 H new ATOM 0 HB VAL A 98 26.183 -11.551 13.032 1.00 2.12 H new ATOM 0 HG11 VAL A 98 26.405 -10.195 10.966 1.00 2.01 H new ATOM 0 HG12 VAL A 98 24.699 -10.577 11.298 1.00 2.01 H new ATOM 0 HG13 VAL A 98 25.336 -8.956 11.664 1.00 2.01 H new ATOM 0 HG21 VAL A 98 28.007 -9.883 12.858 1.00 2.15 H new ATOM 0 HG22 VAL A 98 26.940 -8.642 13.557 1.00 2.15 H new ATOM 0 HG23 VAL A 98 27.442 -10.039 14.539 1.00 2.15 H new ATOM 1552 N GLU A 99 22.605 -10.348 12.915 1.00 1.91 N ATOM 1553 CA GLU A 99 21.407 -11.075 12.421 1.00 1.88 C ATOM 1554 C GLU A 99 21.085 -10.639 10.998 1.00 1.76 C ATOM 1555 O GLU A 99 21.920 -10.120 10.283 1.00 1.72 O ATOM 1556 CB GLU A 99 20.213 -10.762 13.318 1.00 1.86 C ATOM 1557 CG GLU A 99 19.639 -12.063 13.882 1.00 1.94 C ATOM 1558 CD GLU A 99 18.111 -12.000 13.856 1.00 2.45 C ATOM 1559 OE1 GLU A 99 17.579 -10.917 14.033 1.00 3.05 O ATOM 1560 OE2 GLU A 99 17.498 -13.037 13.660 1.00 2.95 O ATOM 0 H GLU A 99 22.604 -9.340 12.757 1.00 1.91 H new ATOM 0 HA GLU A 99 21.612 -12.145 12.436 1.00 1.88 H new ATOM 0 HB2 GLU A 99 20.519 -10.105 14.132 1.00 1.86 H new ATOM 0 HB3 GLU A 99 19.448 -10.231 12.751 1.00 1.86 H new ATOM 0 HG2 GLU A 99 19.989 -12.912 13.295 1.00 1.94 H new ATOM 0 HG3 GLU A 99 19.990 -12.215 14.903 1.00 1.94 H new ATOM 1567 N GLN A 100 19.871 -10.851 10.589 1.00 1.72 N ATOM 1568 CA GLN A 100 19.458 -10.461 9.218 1.00 1.61 C ATOM 1569 C GLN A 100 17.983 -10.077 9.245 1.00 1.53 C ATOM 1570 O GLN A 100 17.118 -10.874 8.939 1.00 1.55 O ATOM 1571 CB GLN A 100 19.646 -11.646 8.282 1.00 1.66 C ATOM 1572 CG GLN A 100 21.076 -12.177 8.405 1.00 1.77 C ATOM 1573 CD GLN A 100 21.253 -13.385 7.485 1.00 2.11 C ATOM 1574 OE1 GLN A 100 20.314 -14.113 7.231 1.00 2.44 O ATOM 1575 NE2 GLN A 100 22.427 -13.632 6.971 1.00 2.70 N ATOM 0 H GLN A 100 19.138 -11.283 11.152 1.00 1.72 H new ATOM 0 HA GLN A 100 20.060 -9.621 8.871 1.00 1.61 H new ATOM 0 HB2 GLN A 100 18.933 -12.433 8.528 1.00 1.66 H new ATOM 0 HB3 GLN A 100 19.447 -11.345 7.254 1.00 1.66 H new ATOM 0 HG2 GLN A 100 21.789 -11.397 8.139 1.00 1.77 H new ATOM 0 HG3 GLN A 100 21.283 -12.459 9.437 1.00 1.77 H new ATOM 0 HE21 GLN A 100 23.216 -13.021 7.184 1.00 2.70 H new ATOM 0 HE22 GLN A 100 22.556 -14.436 6.356 1.00 2.70 H new ATOM 1584 N LEU A 101 17.687 -8.871 9.624 1.00 1.45 N ATOM 1585 CA LEU A 101 16.266 -8.443 9.687 1.00 1.38 C ATOM 1586 C LEU A 101 15.537 -8.918 8.437 1.00 1.34 C ATOM 1587 O LEU A 101 16.103 -9.010 7.368 1.00 1.32 O ATOM 1588 CB LEU A 101 16.181 -6.921 9.791 1.00 1.27 C ATOM 1589 CG LEU A 101 17.009 -6.431 10.984 1.00 1.33 C ATOM 1590 CD1 LEU A 101 16.536 -5.035 11.393 1.00 1.26 C ATOM 1591 CD2 LEU A 101 16.835 -7.391 12.165 1.00 1.45 C ATOM 0 H LEU A 101 18.368 -8.161 9.894 1.00 1.45 H new ATOM 0 HA LEU A 101 15.798 -8.882 10.568 1.00 1.38 H new ATOM 0 HB2 LEU A 101 16.547 -6.464 8.871 1.00 1.27 H new ATOM 0 HB3 LEU A 101 15.142 -6.614 9.908 1.00 1.27 H new ATOM 0 HG LEU A 101 18.061 -6.394 10.700 1.00 1.33 H new ATOM 0 HD11 LEU A 101 17.124 -4.686 12.241 1.00 1.26 H new ATOM 0 HD12 LEU A 101 16.663 -4.348 10.556 1.00 1.26 H new ATOM 0 HD13 LEU A 101 15.483 -5.075 11.673 1.00 1.26 H new ATOM 0 HD21 LEU A 101 17.426 -7.038 13.011 1.00 1.45 H new ATOM 0 HD22 LEU A 101 15.783 -7.432 12.449 1.00 1.45 H new ATOM 0 HD23 LEU A 101 17.172 -8.387 11.877 1.00 1.45 H new ATOM 1603 N SER A 102 14.287 -9.241 8.577 1.00 1.34 N ATOM 1604 CA SER A 102 13.505 -9.738 7.404 1.00 1.32 C ATOM 1605 C SER A 102 12.619 -8.624 6.837 1.00 1.20 C ATOM 1606 O SER A 102 12.046 -7.841 7.568 1.00 1.21 O ATOM 1607 CB SER A 102 12.625 -10.908 7.844 1.00 1.42 C ATOM 1608 OG SER A 102 13.446 -11.939 8.376 1.00 1.84 O ATOM 0 H SER A 102 13.766 -9.184 9.452 1.00 1.34 H new ATOM 0 HA SER A 102 14.200 -10.062 6.630 1.00 1.32 H new ATOM 0 HB2 SER A 102 11.907 -10.576 8.594 1.00 1.42 H new ATOM 0 HB3 SER A 102 12.051 -11.285 6.997 1.00 1.42 H new ATOM 0 HG SER A 102 12.885 -12.690 8.661 1.00 1.84 H new ATOM 1614 N ASN A 103 12.490 -8.556 5.536 1.00 1.10 N ATOM 1615 CA ASN A 103 11.625 -7.501 4.927 1.00 0.99 C ATOM 1616 C ASN A 103 12.091 -6.125 5.391 1.00 0.89 C ATOM 1617 O ASN A 103 11.318 -5.192 5.480 1.00 0.84 O ATOM 1618 CB ASN A 103 10.179 -7.714 5.369 1.00 1.04 C ATOM 1619 CG ASN A 103 9.591 -8.924 4.640 1.00 1.14 C ATOM 1620 OD1 ASN A 103 9.289 -8.854 3.466 1.00 1.46 O ATOM 1621 ND2 ASN A 103 9.415 -10.040 5.293 1.00 1.68 N ATOM 0 H ASN A 103 12.944 -9.183 4.872 1.00 1.10 H new ATOM 0 HA ASN A 103 11.693 -7.562 3.841 1.00 0.99 H new ATOM 0 HB2 ASN A 103 10.137 -7.871 6.447 1.00 1.04 H new ATOM 0 HB3 ASN A 103 9.588 -6.824 5.153 1.00 1.04 H new ATOM 0 HD21 ASN A 103 9.024 -10.853 4.817 1.00 1.68 H new ATOM 0 HD22 ASN A 103 9.669 -10.099 6.279 1.00 1.68 H new ATOM 1628 N MET A 104 13.349 -5.990 5.680 1.00 0.90 N ATOM 1629 CA MET A 104 13.869 -4.674 6.132 1.00 0.84 C ATOM 1630 C MET A 104 14.401 -3.913 4.919 1.00 0.74 C ATOM 1631 O MET A 104 15.209 -3.017 5.041 1.00 0.75 O ATOM 1632 CB MET A 104 15.001 -4.887 7.140 1.00 0.92 C ATOM 1633 CG MET A 104 14.813 -3.939 8.325 1.00 1.09 C ATOM 1634 SD MET A 104 15.574 -2.341 7.946 1.00 1.25 S ATOM 1635 CE MET A 104 16.098 -1.935 9.629 1.00 0.98 C ATOM 0 H MET A 104 14.043 -6.735 5.623 1.00 0.90 H new ATOM 0 HA MET A 104 13.071 -4.104 6.608 1.00 0.84 H new ATOM 0 HB2 MET A 104 15.006 -5.921 7.485 1.00 0.92 H new ATOM 0 HB3 MET A 104 15.965 -4.705 6.664 1.00 0.92 H new ATOM 0 HG2 MET A 104 13.751 -3.808 8.535 1.00 1.09 H new ATOM 0 HG3 MET A 104 15.264 -4.365 9.221 1.00 1.09 H new ATOM 0 HE1 MET A 104 16.047 -0.856 9.776 1.00 0.98 H new ATOM 0 HE2 MET A 104 15.441 -2.430 10.344 1.00 0.98 H new ATOM 0 HE3 MET A 104 17.122 -2.274 9.783 1.00 0.98 H new ATOM 1645 N ILE A 105 13.944 -4.266 3.746 1.00 0.69 N ATOM 1646 CA ILE A 105 14.410 -3.566 2.516 1.00 0.60 C ATOM 1647 C ILE A 105 13.341 -3.700 1.431 1.00 0.53 C ATOM 1648 O ILE A 105 12.423 -4.487 1.547 1.00 0.59 O ATOM 1649 CB ILE A 105 15.713 -4.196 2.025 1.00 0.69 C ATOM 1650 CG1 ILE A 105 16.801 -4.010 3.085 1.00 0.76 C ATOM 1651 CG2 ILE A 105 16.148 -3.517 0.725 1.00 0.65 C ATOM 1652 CD1 ILE A 105 18.126 -4.558 2.555 1.00 0.83 C ATOM 0 H ILE A 105 13.266 -5.012 3.588 1.00 0.69 H new ATOM 0 HA ILE A 105 14.583 -2.513 2.739 1.00 0.60 H new ATOM 0 HB ILE A 105 15.558 -5.260 1.846 1.00 0.69 H new ATOM 0 HG12 ILE A 105 16.905 -2.954 3.334 1.00 0.76 H new ATOM 0 HG13 ILE A 105 16.522 -4.527 4.003 1.00 0.76 H new ATOM 0 HG21 ILE A 105 17.077 -3.965 0.374 1.00 0.65 H new ATOM 0 HG22 ILE A 105 15.373 -3.648 -0.031 1.00 0.65 H new ATOM 0 HG23 ILE A 105 16.304 -2.453 0.905 1.00 0.65 H new ATOM 0 HD11 ILE A 105 18.902 -4.426 3.309 1.00 0.83 H new ATOM 0 HD12 ILE A 105 18.017 -5.619 2.329 1.00 0.83 H new ATOM 0 HD13 ILE A 105 18.406 -4.021 1.649 1.00 0.83 H new ATOM 1664 N VAL A 106 13.448 -2.939 0.378 1.00 0.43 N ATOM 1665 CA VAL A 106 12.435 -3.026 -0.704 1.00 0.41 C ATOM 1666 C VAL A 106 13.096 -3.563 -1.978 1.00 0.46 C ATOM 1667 O VAL A 106 14.271 -3.364 -2.212 1.00 0.47 O ATOM 1668 CB VAL A 106 11.864 -1.630 -0.961 1.00 0.32 C ATOM 1669 CG1 VAL A 106 11.159 -1.603 -2.315 1.00 0.38 C ATOM 1670 CG2 VAL A 106 10.860 -1.282 0.141 1.00 0.30 C ATOM 0 H VAL A 106 14.194 -2.261 0.222 1.00 0.43 H new ATOM 0 HA VAL A 106 11.631 -3.700 -0.410 1.00 0.41 H new ATOM 0 HB VAL A 106 12.676 -0.902 -0.962 1.00 0.32 H new ATOM 0 HG11 VAL A 106 10.754 -0.607 -2.494 1.00 0.38 H new ATOM 0 HG12 VAL A 106 11.872 -1.852 -3.101 1.00 0.38 H new ATOM 0 HG13 VAL A 106 10.348 -2.331 -2.317 1.00 0.38 H new ATOM 0 HG21 VAL A 106 10.452 -0.288 -0.040 1.00 0.30 H new ATOM 0 HG22 VAL A 106 10.051 -2.012 0.140 1.00 0.30 H new ATOM 0 HG23 VAL A 106 11.362 -1.298 1.109 1.00 0.30 H new ATOM 1680 N ARG A 107 12.345 -4.241 -2.803 1.00 0.54 N ATOM 1681 CA ARG A 107 12.923 -4.788 -4.062 1.00 0.61 C ATOM 1682 C ARG A 107 11.874 -4.713 -5.173 1.00 0.63 C ATOM 1683 O ARG A 107 12.020 -5.311 -6.221 1.00 0.71 O ATOM 1684 CB ARG A 107 13.334 -6.246 -3.844 1.00 0.74 C ATOM 1685 CG ARG A 107 14.432 -6.622 -4.841 1.00 1.04 C ATOM 1686 CD ARG A 107 14.351 -8.118 -5.150 1.00 1.43 C ATOM 1687 NE ARG A 107 14.741 -8.354 -6.569 1.00 1.88 N ATOM 1688 CZ ARG A 107 15.115 -9.544 -6.954 1.00 2.26 C ATOM 1689 NH1 ARG A 107 14.236 -10.504 -7.051 1.00 2.82 N ATOM 1690 NH2 ARG A 107 16.367 -9.773 -7.241 1.00 2.80 N ATOM 0 H ARG A 107 11.355 -4.440 -2.659 1.00 0.54 H new ATOM 0 HA ARG A 107 13.799 -4.205 -4.346 1.00 0.61 H new ATOM 0 HB2 ARG A 107 13.691 -6.385 -2.824 1.00 0.74 H new ATOM 0 HB3 ARG A 107 12.472 -6.901 -3.972 1.00 0.74 H new ATOM 0 HG2 ARG A 107 14.319 -6.044 -5.758 1.00 1.04 H new ATOM 0 HG3 ARG A 107 15.411 -6.378 -4.429 1.00 1.04 H new ATOM 0 HD2 ARG A 107 15.010 -8.674 -4.483 1.00 1.43 H new ATOM 0 HD3 ARG A 107 13.339 -8.482 -4.974 1.00 1.43 H new ATOM 0 HE ARG A 107 14.716 -7.586 -7.239 1.00 1.88 H new ATOM 0 HH11 ARG A 107 13.257 -10.324 -6.826 1.00 2.82 H new ATOM 0 HH12 ARG A 107 14.528 -11.434 -7.352 1.00 2.82 H new ATOM 0 HH21 ARG A 107 17.053 -9.022 -7.165 1.00 2.80 H new ATOM 0 HH22 ARG A 107 16.659 -10.703 -7.542 1.00 2.80 H new ATOM 1704 N SER A 108 10.815 -3.982 -4.949 1.00 0.62 N ATOM 1705 CA SER A 108 9.752 -3.866 -5.988 1.00 0.66 C ATOM 1706 C SER A 108 8.471 -3.328 -5.345 1.00 0.59 C ATOM 1707 O SER A 108 7.973 -3.876 -4.383 1.00 0.61 O ATOM 1708 CB SER A 108 9.478 -5.242 -6.594 1.00 0.80 C ATOM 1709 OG SER A 108 9.685 -6.241 -5.604 1.00 1.63 O ATOM 0 H SER A 108 10.640 -3.460 -4.090 1.00 0.62 H new ATOM 0 HA SER A 108 10.082 -3.184 -6.772 1.00 0.66 H new ATOM 0 HB2 SER A 108 8.455 -5.290 -6.968 1.00 0.80 H new ATOM 0 HB3 SER A 108 10.137 -5.415 -7.445 1.00 0.80 H new ATOM 0 HG SER A 108 9.873 -7.099 -6.039 1.00 1.63 H new ATOM 1715 N CYS A 109 7.937 -2.258 -5.868 1.00 0.60 N ATOM 1716 CA CYS A 109 6.689 -1.684 -5.283 1.00 0.54 C ATOM 1717 C CYS A 109 5.465 -2.214 -6.039 1.00 0.56 C ATOM 1718 O CYS A 109 5.572 -3.083 -6.882 1.00 0.73 O ATOM 1719 CB CYS A 109 6.724 -0.159 -5.405 1.00 0.57 C ATOM 1720 SG CYS A 109 8.052 0.507 -4.375 1.00 0.69 S ATOM 0 H CYS A 109 8.309 -1.756 -6.674 1.00 0.60 H new ATOM 0 HA CYS A 109 6.623 -1.974 -4.234 1.00 0.54 H new ATOM 0 HB2 CYS A 109 6.879 0.128 -6.445 1.00 0.57 H new ATOM 0 HB3 CYS A 109 5.767 0.262 -5.097 1.00 0.57 H new ATOM 1725 N LYS A 110 4.304 -1.675 -5.761 1.00 0.51 N ATOM 1726 CA LYS A 110 3.075 -2.120 -6.477 1.00 0.52 C ATOM 1727 C LYS A 110 1.946 -1.134 -6.169 1.00 0.48 C ATOM 1728 O LYS A 110 2.170 0.054 -6.097 1.00 0.57 O ATOM 1729 CB LYS A 110 2.687 -3.543 -6.054 1.00 0.57 C ATOM 1730 CG LYS A 110 2.296 -3.575 -4.580 1.00 1.53 C ATOM 1731 CD LYS A 110 1.846 -4.990 -4.210 1.00 1.87 C ATOM 1732 CE LYS A 110 0.365 -5.159 -4.542 1.00 2.82 C ATOM 1733 NZ LYS A 110 -0.286 -6.001 -3.499 1.00 3.53 N ATOM 0 H LYS A 110 4.157 -0.943 -5.066 1.00 0.51 H new ATOM 0 HA LYS A 110 3.261 -2.137 -7.551 1.00 0.52 H new ATOM 0 HB2 LYS A 110 1.856 -3.896 -6.664 1.00 0.57 H new ATOM 0 HB3 LYS A 110 3.522 -4.221 -6.229 1.00 0.57 H new ATOM 0 HG2 LYS A 110 3.141 -3.276 -3.961 1.00 1.53 H new ATOM 0 HG3 LYS A 110 1.493 -2.863 -4.389 1.00 1.53 H new ATOM 0 HD2 LYS A 110 2.438 -5.725 -4.756 1.00 1.87 H new ATOM 0 HD3 LYS A 110 2.014 -5.170 -3.148 1.00 1.87 H new ATOM 0 HE2 LYS A 110 -0.121 -4.184 -4.593 1.00 2.82 H new ATOM 0 HE3 LYS A 110 0.252 -5.623 -5.522 1.00 2.82 H new ATOM 0 HZ1 LYS A 110 -1.315 -6.005 -3.648 1.00 3.53 H new ATOM 0 HZ2 LYS A 110 0.077 -6.974 -3.562 1.00 3.53 H new ATOM 0 HZ3 LYS A 110 -0.074 -5.613 -2.558 1.00 3.53 H new ATOM 1747 N CYS A 111 0.738 -1.593 -5.994 1.00 0.43 N ATOM 1748 CA CYS A 111 -0.367 -0.633 -5.703 1.00 0.40 C ATOM 1749 C CYS A 111 -1.473 -1.328 -4.908 1.00 0.37 C ATOM 1750 O CYS A 111 -2.384 -1.905 -5.467 1.00 0.37 O ATOM 1751 CB CYS A 111 -0.939 -0.104 -7.022 1.00 0.41 C ATOM 1752 SG CYS A 111 0.101 1.252 -7.624 1.00 0.47 S ATOM 0 H CYS A 111 0.469 -2.576 -6.039 1.00 0.43 H new ATOM 0 HA CYS A 111 0.025 0.195 -5.113 1.00 0.40 H new ATOM 0 HB2 CYS A 111 -0.978 -0.904 -7.762 1.00 0.41 H new ATOM 0 HB3 CYS A 111 -1.961 0.244 -6.875 1.00 0.41 H new ATOM 1757 N SER A 112 -1.406 -1.272 -3.604 1.00 0.39 N ATOM 1758 CA SER A 112 -2.461 -1.924 -2.779 1.00 0.39 C ATOM 1759 C SER A 112 -3.601 -0.931 -2.538 1.00 0.36 C ATOM 1760 O SER A 112 -3.312 0.189 -2.150 1.00 1.08 O ATOM 1761 CB SER A 112 -1.869 -2.355 -1.437 1.00 0.44 C ATOM 1762 OG SER A 112 -2.829 -3.127 -0.728 1.00 0.86 O ATOM 1763 OXT SER A 112 -4.742 -1.309 -2.744 1.00 1.07 O ATOM 0 H SER A 112 -0.668 -0.804 -3.077 1.00 0.39 H new ATOM 0 HA SER A 112 -2.843 -2.800 -3.303 1.00 0.39 H new ATOM 0 HB2 SER A 112 -0.962 -2.938 -1.597 1.00 0.44 H new ATOM 0 HB3 SER A 112 -1.586 -1.479 -0.853 1.00 0.44 H new ATOM 0 HG SER A 112 -2.415 -3.959 -0.418 1.00 0.86 H new TER 1769 SER A 112 ATOM 1770 N ALA B 1 -6.682 -1.015 15.363 1.00 1.35 N ATOM 1771 CA ALA B 1 -7.630 -1.587 14.366 1.00 1.08 C ATOM 1772 C ALA B 1 -7.855 -0.578 13.239 1.00 0.97 C ATOM 1773 O ALA B 1 -8.571 0.391 13.394 1.00 1.06 O ATOM 1774 CB ALA B 1 -8.964 -1.895 15.049 1.00 1.42 C ATOM 0 H1 ALA B 1 -6.529 -1.701 16.130 1.00 1.35 H new ATOM 0 H2 ALA B 1 -5.775 -0.806 14.899 1.00 1.35 H new ATOM 0 H3 ALA B 1 -7.080 -0.139 15.757 1.00 1.35 H new ATOM 0 HA ALA B 1 -7.213 -2.505 13.953 1.00 1.08 H new ATOM 0 HB1 ALA B 1 -9.658 -2.313 14.320 1.00 1.42 H new ATOM 0 HB2 ALA B 1 -8.804 -2.614 15.852 1.00 1.42 H new ATOM 0 HB3 ALA B 1 -9.382 -0.977 15.462 1.00 1.42 H new ATOM 1782 N LEU B 2 -7.247 -0.796 12.105 1.00 0.86 N ATOM 1783 CA LEU B 2 -7.427 0.151 10.969 1.00 0.76 C ATOM 1784 C LEU B 2 -8.417 -0.434 9.968 1.00 0.72 C ATOM 1785 O LEU B 2 -8.066 -0.770 8.857 1.00 0.70 O ATOM 1786 CB LEU B 2 -6.091 0.374 10.272 1.00 0.72 C ATOM 1787 CG LEU B 2 -5.025 0.719 11.310 1.00 0.88 C ATOM 1788 CD1 LEU B 2 -3.739 1.143 10.599 1.00 0.76 C ATOM 1789 CD2 LEU B 2 -5.527 1.868 12.187 1.00 1.11 C ATOM 0 H LEU B 2 -6.634 -1.589 11.916 1.00 0.86 H new ATOM 0 HA LEU B 2 -7.806 1.099 11.351 1.00 0.76 H new ATOM 0 HB2 LEU B 2 -5.802 -0.522 9.722 1.00 0.72 H new ATOM 0 HB3 LEU B 2 -6.179 1.180 9.544 1.00 0.72 H new ATOM 0 HG LEU B 2 -4.824 -0.154 11.931 1.00 0.88 H new ATOM 0 HD11 LEU B 2 -2.978 1.389 11.340 1.00 0.76 H new ATOM 0 HD12 LEU B 2 -3.384 0.326 9.972 1.00 0.76 H new ATOM 0 HD13 LEU B 2 -3.938 2.017 9.978 1.00 0.76 H new ATOM 0 HD21 LEU B 2 -4.769 2.117 12.929 1.00 1.11 H new ATOM 0 HD22 LEU B 2 -5.726 2.740 11.565 1.00 1.11 H new ATOM 0 HD23 LEU B 2 -6.444 1.566 12.693 1.00 1.11 H new ATOM 1801 N ASP B 3 -9.650 -0.556 10.354 1.00 0.74 N ATOM 1802 CA ASP B 3 -10.669 -1.117 9.428 1.00 0.73 C ATOM 1803 C ASP B 3 -11.779 -0.091 9.210 1.00 0.71 C ATOM 1804 O ASP B 3 -11.668 1.055 9.599 1.00 0.72 O ATOM 1805 CB ASP B 3 -11.265 -2.387 10.037 1.00 0.81 C ATOM 1806 CG ASP B 3 -11.446 -2.195 11.544 1.00 0.86 C ATOM 1807 OD1 ASP B 3 -10.473 -2.352 12.262 1.00 1.45 O ATOM 1808 OD2 ASP B 3 -12.556 -1.895 11.953 1.00 1.31 O ATOM 0 H ASP B 3 -10.000 -0.291 11.275 1.00 0.74 H new ATOM 0 HA ASP B 3 -10.200 -1.355 8.473 1.00 0.73 H new ATOM 0 HB2 ASP B 3 -12.224 -2.611 9.571 1.00 0.81 H new ATOM 0 HB3 ASP B 3 -10.611 -3.237 9.844 1.00 0.81 H new ATOM 1813 N THR B 4 -12.849 -0.496 8.589 1.00 0.71 N ATOM 1814 CA THR B 4 -13.975 0.447 8.340 1.00 0.71 C ATOM 1815 C THR B 4 -14.848 0.547 9.592 1.00 0.78 C ATOM 1816 O THR B 4 -15.907 1.142 9.576 1.00 0.81 O ATOM 1817 CB THR B 4 -14.804 -0.068 7.162 1.00 0.70 C ATOM 1818 OG1 THR B 4 -15.745 -1.025 7.629 1.00 0.76 O ATOM 1819 CG2 THR B 4 -13.872 -0.719 6.137 1.00 0.68 C ATOM 0 H THR B 4 -12.994 -1.444 8.241 1.00 0.71 H new ATOM 0 HA THR B 4 -13.584 1.437 8.104 1.00 0.71 H new ATOM 0 HB THR B 4 -15.336 0.761 6.695 1.00 0.70 H new ATOM 0 HG1 THR B 4 -16.278 -1.354 6.875 1.00 0.76 H new ATOM 0 HG21 THR B 4 -14.458 -1.088 5.295 1.00 0.68 H new ATOM 0 HG22 THR B 4 -13.151 0.017 5.782 1.00 0.68 H new ATOM 0 HG23 THR B 4 -13.343 -1.550 6.603 1.00 0.68 H new ATOM 1827 N ASN B 5 -14.409 -0.026 10.680 1.00 0.84 N ATOM 1828 CA ASN B 5 -15.209 0.042 11.934 1.00 0.92 C ATOM 1829 C ASN B 5 -14.631 1.125 12.849 1.00 0.95 C ATOM 1830 O ASN B 5 -15.354 1.904 13.438 1.00 1.01 O ATOM 1831 CB ASN B 5 -15.156 -1.311 12.647 1.00 0.99 C ATOM 1832 CG ASN B 5 -16.544 -1.658 13.188 1.00 1.21 C ATOM 1833 OD1 ASN B 5 -17.225 -0.812 13.733 1.00 1.87 O ATOM 1834 ND2 ASN B 5 -16.996 -2.875 13.060 1.00 1.61 N ATOM 0 H ASN B 5 -13.530 -0.538 10.753 1.00 0.84 H new ATOM 0 HA ASN B 5 -16.244 0.285 11.693 1.00 0.92 H new ATOM 0 HB2 ASN B 5 -14.819 -2.085 11.957 1.00 0.99 H new ATOM 0 HB3 ASN B 5 -14.434 -1.276 13.463 1.00 0.99 H new ATOM 0 HD21 ASN B 5 -17.921 -3.116 13.417 1.00 1.61 H new ATOM 0 HD22 ASN B 5 -16.425 -3.586 12.603 1.00 1.61 H new ATOM 1841 N TYR B 6 -13.332 1.176 12.979 1.00 0.93 N ATOM 1842 CA TYR B 6 -12.708 2.199 13.858 1.00 0.97 C ATOM 1843 C TYR B 6 -12.523 3.506 13.081 1.00 0.92 C ATOM 1844 O TYR B 6 -12.395 4.567 13.659 1.00 1.00 O ATOM 1845 CB TYR B 6 -11.349 1.681 14.326 1.00 0.99 C ATOM 1846 CG TYR B 6 -10.567 2.802 14.964 1.00 1.02 C ATOM 1847 CD1 TYR B 6 -10.868 3.217 16.267 1.00 1.15 C ATOM 1848 CD2 TYR B 6 -9.541 3.426 14.249 1.00 0.94 C ATOM 1849 CE1 TYR B 6 -10.140 4.259 16.854 1.00 1.19 C ATOM 1850 CE2 TYR B 6 -8.812 4.468 14.836 1.00 0.99 C ATOM 1851 CZ TYR B 6 -9.111 4.884 16.139 1.00 1.11 C ATOM 1852 OH TYR B 6 -8.393 5.910 16.718 1.00 1.17 O ATOM 0 H TYR B 6 -12.677 0.550 12.511 1.00 0.93 H new ATOM 0 HA TYR B 6 -13.349 2.388 14.719 1.00 0.97 H new ATOM 0 HB2 TYR B 6 -11.485 0.868 15.040 1.00 0.99 H new ATOM 0 HB3 TYR B 6 -10.794 1.273 13.481 1.00 0.99 H new ATOM 0 HD1 TYR B 6 -11.661 2.734 16.819 1.00 1.15 H new ATOM 0 HD2 TYR B 6 -9.310 3.105 13.244 1.00 0.94 H new ATOM 0 HE1 TYR B 6 -10.372 4.581 17.858 1.00 1.19 H new ATOM 0 HE2 TYR B 6 -8.019 4.951 14.284 1.00 0.99 H new ATOM 0 HH TYR B 6 -7.716 6.232 16.087 1.00 1.17 H new ATOM 1862 N CYS B 7 -12.505 3.440 11.778 1.00 0.84 N ATOM 1863 CA CYS B 7 -12.326 4.682 10.974 1.00 0.84 C ATOM 1864 C CYS B 7 -13.695 5.295 10.670 1.00 0.91 C ATOM 1865 O CYS B 7 -13.809 6.469 10.378 1.00 1.02 O ATOM 1866 CB CYS B 7 -11.608 4.347 9.665 1.00 0.76 C ATOM 1867 SG CYS B 7 -9.893 3.891 10.023 1.00 0.84 S ATOM 0 H CYS B 7 -12.606 2.582 11.236 1.00 0.84 H new ATOM 0 HA CYS B 7 -11.728 5.397 11.539 1.00 0.84 H new ATOM 0 HB2 CYS B 7 -12.116 3.527 9.158 1.00 0.76 H new ATOM 0 HB3 CYS B 7 -11.636 5.204 8.992 1.00 0.76 H new ATOM 1872 N PHE B 8 -14.736 4.512 10.742 1.00 0.93 N ATOM 1873 CA PHE B 8 -16.097 5.052 10.464 1.00 1.03 C ATOM 1874 C PHE B 8 -16.716 5.569 11.765 1.00 1.28 C ATOM 1875 O PHE B 8 -17.917 5.543 11.945 1.00 1.41 O ATOM 1876 CB PHE B 8 -16.981 3.944 9.883 1.00 1.04 C ATOM 1877 CG PHE B 8 -16.885 3.942 8.373 1.00 0.94 C ATOM 1878 CD1 PHE B 8 -15.831 4.606 7.729 1.00 0.83 C ATOM 1879 CD2 PHE B 8 -17.855 3.275 7.616 1.00 1.10 C ATOM 1880 CE1 PHE B 8 -15.751 4.602 6.331 1.00 0.84 C ATOM 1881 CE2 PHE B 8 -17.774 3.271 6.218 1.00 1.17 C ATOM 1882 CZ PHE B 8 -16.722 3.934 5.576 1.00 1.02 C ATOM 0 H PHE B 8 -14.703 3.521 10.981 1.00 0.93 H new ATOM 0 HA PHE B 8 -16.022 5.869 9.746 1.00 1.03 H new ATOM 0 HB2 PHE B 8 -16.670 2.976 10.276 1.00 1.04 H new ATOM 0 HB3 PHE B 8 -18.016 4.095 10.189 1.00 1.04 H new ATOM 0 HD1 PHE B 8 -15.081 5.120 8.311 1.00 0.83 H new ATOM 0 HD2 PHE B 8 -18.667 2.763 8.111 1.00 1.10 H new ATOM 0 HE1 PHE B 8 -14.940 5.114 5.835 1.00 0.84 H new ATOM 0 HE2 PHE B 8 -18.523 2.756 5.635 1.00 1.17 H new ATOM 0 HZ PHE B 8 -16.659 3.930 4.498 1.00 1.02 H new ATOM 1892 N SER B 9 -15.905 6.037 12.673 1.00 1.43 N ATOM 1893 CA SER B 9 -16.447 6.554 13.961 1.00 1.72 C ATOM 1894 C SER B 9 -15.990 8.000 14.164 1.00 1.86 C ATOM 1895 O SER B 9 -16.641 8.933 13.737 1.00 2.17 O ATOM 1896 CB SER B 9 -15.934 5.691 15.114 1.00 2.05 C ATOM 1897 OG SER B 9 -16.947 4.769 15.497 1.00 2.57 O ATOM 0 H SER B 9 -14.890 6.084 12.579 1.00 1.43 H new ATOM 0 HA SER B 9 -17.536 6.517 13.937 1.00 1.72 H new ATOM 0 HB2 SER B 9 -15.034 5.155 14.810 1.00 2.05 H new ATOM 0 HB3 SER B 9 -15.660 6.320 15.961 1.00 2.05 H new ATOM 0 HG SER B 9 -16.621 4.213 16.235 1.00 2.57 H new ATOM 1903 N SER B 10 -14.874 8.194 14.812 1.00 1.99 N ATOM 1904 CA SER B 10 -14.376 9.580 15.041 1.00 2.23 C ATOM 1905 C SER B 10 -13.615 10.059 13.803 1.00 2.12 C ATOM 1906 O SER B 10 -13.796 9.549 12.715 1.00 2.72 O ATOM 1907 CB SER B 10 -13.441 9.592 16.250 1.00 2.96 C ATOM 1908 OG SER B 10 -13.540 10.849 16.907 1.00 3.63 O ATOM 0 H SER B 10 -14.286 7.453 15.193 1.00 1.99 H new ATOM 0 HA SER B 10 -15.220 10.244 15.228 1.00 2.23 H new ATOM 0 HB2 SER B 10 -13.705 8.788 16.937 1.00 2.96 H new ATOM 0 HB3 SER B 10 -12.414 9.415 15.932 1.00 2.96 H new ATOM 0 HG SER B 10 -12.943 10.860 17.684 1.00 3.63 H new ATOM 1914 N THR B 11 -12.765 11.037 13.960 1.00 1.92 N ATOM 1915 CA THR B 11 -11.994 11.548 12.792 1.00 2.24 C ATOM 1916 C THR B 11 -10.574 10.978 12.829 1.00 1.84 C ATOM 1917 O THR B 11 -10.002 10.781 13.882 1.00 2.18 O ATOM 1918 CB THR B 11 -11.932 13.076 12.850 1.00 2.99 C ATOM 1919 OG1 THR B 11 -12.676 13.536 13.969 1.00 3.45 O ATOM 1920 CG2 THR B 11 -12.521 13.662 11.566 1.00 3.87 C ATOM 0 H THR B 11 -12.571 11.504 14.846 1.00 1.92 H new ATOM 0 HA THR B 11 -12.486 11.239 11.869 1.00 2.24 H new ATOM 0 HB THR B 11 -10.894 13.395 12.948 1.00 2.99 H new ATOM 0 HG1 THR B 11 -12.636 14.514 14.009 1.00 3.45 H new ATOM 0 HG21 THR B 11 -12.476 14.750 11.609 1.00 3.87 H new ATOM 0 HG22 THR B 11 -11.948 13.309 10.709 1.00 3.87 H new ATOM 0 HG23 THR B 11 -13.559 13.345 11.464 1.00 3.87 H new ATOM 1928 N GLU B 12 -10.002 10.712 11.687 1.00 1.68 N ATOM 1929 CA GLU B 12 -8.620 10.156 11.658 1.00 1.40 C ATOM 1930 C GLU B 12 -7.877 10.701 10.437 1.00 1.46 C ATOM 1931 O GLU B 12 -8.476 11.203 9.507 1.00 1.82 O ATOM 1932 CB GLU B 12 -8.686 8.629 11.576 1.00 1.37 C ATOM 1933 CG GLU B 12 -7.378 8.032 12.101 1.00 1.53 C ATOM 1934 CD GLU B 12 -7.116 8.545 13.518 1.00 2.35 C ATOM 1935 OE1 GLU B 12 -8.057 8.597 14.292 1.00 3.07 O ATOM 1936 OE2 GLU B 12 -5.977 8.876 13.805 1.00 2.90 O ATOM 0 H GLU B 12 -10.432 10.856 10.773 1.00 1.68 H new ATOM 0 HA GLU B 12 -8.091 10.448 12.565 1.00 1.40 H new ATOM 0 HB2 GLU B 12 -9.528 8.259 12.161 1.00 1.37 H new ATOM 0 HB3 GLU B 12 -8.853 8.317 10.545 1.00 1.37 H new ATOM 0 HG2 GLU B 12 -7.437 6.944 12.102 1.00 1.53 H new ATOM 0 HG3 GLU B 12 -6.552 8.306 11.445 1.00 1.53 H new ATOM 1943 N LYS B 13 -6.575 10.608 10.432 1.00 1.44 N ATOM 1944 CA LYS B 13 -5.796 11.122 9.271 1.00 1.77 C ATOM 1945 C LYS B 13 -4.730 10.097 8.879 1.00 1.48 C ATOM 1946 O LYS B 13 -4.449 9.894 7.714 1.00 1.66 O ATOM 1947 CB LYS B 13 -5.118 12.440 9.654 1.00 2.30 C ATOM 1948 CG LYS B 13 -6.010 13.210 10.629 1.00 2.90 C ATOM 1949 CD LYS B 13 -5.227 14.386 11.217 1.00 3.47 C ATOM 1950 CE LYS B 13 -6.191 15.524 11.555 1.00 4.16 C ATOM 1951 NZ LYS B 13 -5.429 16.665 12.137 1.00 4.61 N ATOM 0 H LYS B 13 -6.018 10.198 11.182 1.00 1.44 H new ATOM 0 HA LYS B 13 -6.467 11.290 8.429 1.00 1.77 H new ATOM 0 HB2 LYS B 13 -4.148 12.243 10.111 1.00 2.30 H new ATOM 0 HB3 LYS B 13 -4.935 13.039 8.762 1.00 2.30 H new ATOM 0 HG2 LYS B 13 -6.900 13.573 10.115 1.00 2.90 H new ATOM 0 HG3 LYS B 13 -6.349 12.550 11.427 1.00 2.90 H new ATOM 0 HD2 LYS B 13 -4.693 14.069 12.113 1.00 3.47 H new ATOM 0 HD3 LYS B 13 -4.477 14.730 10.504 1.00 3.47 H new ATOM 0 HE2 LYS B 13 -6.719 15.846 10.658 1.00 4.16 H new ATOM 0 HE3 LYS B 13 -6.945 15.178 12.262 1.00 4.16 H new ATOM 0 HZ1 LYS B 13 -6.085 17.439 12.367 1.00 4.61 H new ATOM 0 HZ2 LYS B 13 -4.944 16.353 13.003 1.00 4.61 H new ATOM 0 HZ3 LYS B 13 -4.726 17.000 11.448 1.00 4.61 H new ATOM 1965 N ASN B 14 -4.134 9.450 9.842 1.00 1.25 N ATOM 1966 CA ASN B 14 -3.085 8.439 9.525 1.00 1.03 C ATOM 1967 C ASN B 14 -3.690 7.328 8.662 1.00 0.94 C ATOM 1968 O ASN B 14 -4.563 7.566 7.852 1.00 1.08 O ATOM 1969 CB ASN B 14 -2.547 7.843 10.828 1.00 1.00 C ATOM 1970 CG ASN B 14 -2.298 8.964 11.839 1.00 1.17 C ATOM 1971 OD1 ASN B 14 -3.209 9.403 12.513 1.00 1.58 O ATOM 1972 ND2 ASN B 14 -1.094 9.448 11.974 1.00 1.74 N ATOM 0 H ASN B 14 -4.328 9.577 10.835 1.00 1.25 H new ATOM 0 HA ASN B 14 -2.270 8.915 8.979 1.00 1.03 H new ATOM 0 HB2 ASN B 14 -3.260 7.125 11.233 1.00 1.00 H new ATOM 0 HB3 ASN B 14 -1.622 7.300 10.637 1.00 1.00 H new ATOM 0 HD21 ASN B 14 -0.917 10.195 12.645 1.00 1.74 H new ATOM 0 HD22 ASN B 14 -0.330 9.079 11.408 1.00 1.74 H new ATOM 1979 N CYS B 15 -3.231 6.116 8.828 1.00 0.81 N ATOM 1980 CA CYS B 15 -3.775 4.989 8.020 1.00 0.87 C ATOM 1981 C CYS B 15 -5.181 4.644 8.519 1.00 0.93 C ATOM 1982 O CYS B 15 -5.368 3.726 9.293 1.00 1.24 O ATOM 1983 CB CYS B 15 -2.851 3.775 8.172 1.00 0.85 C ATOM 1984 SG CYS B 15 -3.694 2.261 7.637 1.00 1.11 S ATOM 0 H CYS B 15 -2.500 5.859 9.491 1.00 0.81 H new ATOM 0 HA CYS B 15 -3.829 5.272 6.969 1.00 0.87 H new ATOM 0 HB2 CYS B 15 -1.947 3.923 7.581 1.00 0.85 H new ATOM 0 HB3 CYS B 15 -2.539 3.676 9.212 1.00 0.85 H new ATOM 1989 N CYS B 16 -6.169 5.370 8.078 1.00 0.70 N ATOM 1990 CA CYS B 16 -7.560 5.083 8.520 1.00 0.75 C ATOM 1991 C CYS B 16 -8.452 4.941 7.288 1.00 0.67 C ATOM 1992 O CYS B 16 -8.533 5.830 6.461 1.00 0.69 O ATOM 1993 CB CYS B 16 -8.072 6.236 9.388 1.00 0.84 C ATOM 1994 SG CYS B 16 -9.064 5.582 10.756 1.00 1.19 S ATOM 0 H CYS B 16 -6.072 6.151 7.429 1.00 0.70 H new ATOM 0 HA CYS B 16 -7.578 4.161 9.101 1.00 0.75 H new ATOM 0 HB2 CYS B 16 -7.232 6.810 9.778 1.00 0.84 H new ATOM 0 HB3 CYS B 16 -8.672 6.918 8.786 1.00 0.84 H new ATOM 1999 N VAL B 17 -9.115 3.828 7.151 1.00 0.62 N ATOM 2000 CA VAL B 17 -9.996 3.630 5.970 1.00 0.55 C ATOM 2001 C VAL B 17 -11.135 4.653 6.002 1.00 0.58 C ATOM 2002 O VAL B 17 -11.825 4.794 6.990 1.00 0.82 O ATOM 2003 CB VAL B 17 -10.579 2.218 6.006 1.00 0.55 C ATOM 2004 CG1 VAL B 17 -11.622 2.124 7.113 1.00 0.63 C ATOM 2005 CG2 VAL B 17 -11.243 1.909 4.668 1.00 0.49 C ATOM 0 H VAL B 17 -9.084 3.047 7.806 1.00 0.62 H new ATOM 0 HA VAL B 17 -9.416 3.764 5.057 1.00 0.55 H new ATOM 0 HB VAL B 17 -9.779 1.503 6.195 1.00 0.55 H new ATOM 0 HG11 VAL B 17 -12.037 1.116 7.137 1.00 0.63 H new ATOM 0 HG12 VAL B 17 -11.155 2.348 8.072 1.00 0.63 H new ATOM 0 HG13 VAL B 17 -12.421 2.841 6.922 1.00 0.63 H new ATOM 0 HG21 VAL B 17 -11.659 0.902 4.692 1.00 0.49 H new ATOM 0 HG22 VAL B 17 -12.042 2.627 4.484 1.00 0.49 H new ATOM 0 HG23 VAL B 17 -10.503 1.977 3.870 1.00 0.49 H new ATOM 2015 N ARG B 18 -11.341 5.365 4.930 1.00 0.54 N ATOM 2016 CA ARG B 18 -12.439 6.372 4.909 1.00 0.58 C ATOM 2017 C ARG B 18 -13.524 5.921 3.928 1.00 0.51 C ATOM 2018 O ARG B 18 -13.301 5.071 3.090 1.00 0.49 O ATOM 2019 CB ARG B 18 -11.880 7.727 4.468 1.00 0.66 C ATOM 2020 CG ARG B 18 -11.313 8.464 5.683 1.00 0.78 C ATOM 2021 CD ARG B 18 -10.807 9.842 5.254 1.00 1.20 C ATOM 2022 NE ARG B 18 -9.414 10.035 5.747 1.00 1.08 N ATOM 2023 CZ ARG B 18 -9.119 11.074 6.480 1.00 1.33 C ATOM 2024 NH1 ARG B 18 -9.873 11.390 7.497 1.00 1.94 N ATOM 2025 NH2 ARG B 18 -8.071 11.797 6.195 1.00 1.92 N ATOM 0 H ARG B 18 -10.798 5.294 4.069 1.00 0.54 H new ATOM 0 HA ARG B 18 -12.868 6.465 5.907 1.00 0.58 H new ATOM 0 HB2 ARG B 18 -11.101 7.585 3.719 1.00 0.66 H new ATOM 0 HB3 ARG B 18 -12.665 8.322 4.002 1.00 0.66 H new ATOM 0 HG2 ARG B 18 -12.081 8.569 6.449 1.00 0.78 H new ATOM 0 HG3 ARG B 18 -10.500 7.888 6.124 1.00 0.78 H new ATOM 0 HD2 ARG B 18 -10.835 9.930 4.168 1.00 1.20 H new ATOM 0 HD3 ARG B 18 -11.457 10.621 5.654 1.00 1.20 H new ATOM 0 HE ARG B 18 -8.691 9.355 5.512 1.00 1.08 H new ATOM 0 HH11 ARG B 18 -10.693 10.825 7.719 1.00 1.94 H new ATOM 0 HH12 ARG B 18 -9.643 12.202 8.070 1.00 1.94 H new ATOM 0 HH21 ARG B 18 -7.482 11.550 5.399 1.00 1.92 H new ATOM 0 HH22 ARG B 18 -7.840 12.609 6.768 1.00 1.92 H new ATOM 2039 N GLN B 19 -14.697 6.484 4.025 1.00 0.57 N ATOM 2040 CA GLN B 19 -15.791 6.085 3.094 1.00 0.54 C ATOM 2041 C GLN B 19 -15.412 6.487 1.668 1.00 0.51 C ATOM 2042 O GLN B 19 -14.888 7.559 1.436 1.00 0.58 O ATOM 2043 CB GLN B 19 -17.087 6.791 3.499 1.00 0.62 C ATOM 2044 CG GLN B 19 -16.995 8.277 3.144 1.00 0.74 C ATOM 2045 CD GLN B 19 -18.248 9.000 3.641 1.00 1.29 C ATOM 2046 OE1 GLN B 19 -19.321 8.821 3.099 1.00 2.11 O ATOM 2047 NE2 GLN B 19 -18.157 9.815 4.656 1.00 1.66 N ATOM 0 H GLN B 19 -14.945 7.201 4.707 1.00 0.57 H new ATOM 0 HA GLN B 19 -15.938 5.006 3.141 1.00 0.54 H new ATOM 0 HB2 GLN B 19 -17.936 6.337 2.988 1.00 0.62 H new ATOM 0 HB3 GLN B 19 -17.259 6.672 4.569 1.00 0.62 H new ATOM 0 HG2 GLN B 19 -16.106 8.715 3.597 1.00 0.74 H new ATOM 0 HG3 GLN B 19 -16.896 8.398 2.065 1.00 0.74 H new ATOM 0 HE21 GLN B 19 -17.256 9.965 5.111 1.00 1.66 H new ATOM 0 HE22 GLN B 19 -18.987 10.302 4.995 1.00 1.66 H new ATOM 2056 N LEU B 20 -15.665 5.637 0.711 1.00 0.46 N ATOM 2057 CA LEU B 20 -15.308 5.981 -0.695 1.00 0.47 C ATOM 2058 C LEU B 20 -16.378 5.454 -1.649 1.00 0.47 C ATOM 2059 O LEU B 20 -16.072 4.855 -2.661 1.00 0.47 O ATOM 2060 CB LEU B 20 -13.966 5.342 -1.052 1.00 0.43 C ATOM 2061 CG LEU B 20 -13.504 5.852 -2.419 1.00 0.49 C ATOM 2062 CD1 LEU B 20 -13.554 7.380 -2.440 1.00 0.60 C ATOM 2063 CD2 LEU B 20 -12.069 5.389 -2.676 1.00 0.47 C ATOM 0 H LEU B 20 -16.101 4.724 0.840 1.00 0.46 H new ATOM 0 HA LEU B 20 -15.240 7.065 -0.788 1.00 0.47 H new ATOM 0 HB2 LEU B 20 -13.223 5.583 -0.292 1.00 0.43 H new ATOM 0 HB3 LEU B 20 -14.062 4.256 -1.071 1.00 0.43 H new ATOM 0 HG LEU B 20 -14.161 5.456 -3.193 1.00 0.49 H new ATOM 0 HD11 LEU B 20 -13.225 7.741 -3.414 1.00 0.60 H new ATOM 0 HD12 LEU B 20 -14.575 7.713 -2.256 1.00 0.60 H new ATOM 0 HD13 LEU B 20 -12.898 7.776 -1.665 1.00 0.60 H new ATOM 0 HD21 LEU B 20 -11.739 5.752 -3.649 1.00 0.47 H new ATOM 0 HD22 LEU B 20 -11.414 5.785 -1.900 1.00 0.47 H new ATOM 0 HD23 LEU B 20 -12.030 4.300 -2.662 1.00 0.47 H new ATOM 2075 N TYR B 21 -17.629 5.669 -1.354 1.00 0.52 N ATOM 2076 CA TYR B 21 -18.679 5.169 -2.280 1.00 0.57 C ATOM 2077 C TYR B 21 -18.310 5.583 -3.701 1.00 0.64 C ATOM 2078 O TYR B 21 -17.950 6.716 -3.953 1.00 0.69 O ATOM 2079 CB TYR B 21 -20.039 5.767 -1.924 1.00 0.66 C ATOM 2080 CG TYR B 21 -21.047 5.325 -2.959 1.00 0.74 C ATOM 2081 CD1 TYR B 21 -21.037 5.898 -4.238 1.00 0.83 C ATOM 2082 CD2 TYR B 21 -21.985 4.336 -2.644 1.00 0.75 C ATOM 2083 CE1 TYR B 21 -21.966 5.483 -5.201 1.00 0.93 C ATOM 2084 CE2 TYR B 21 -22.914 3.920 -3.605 1.00 0.85 C ATOM 2085 CZ TYR B 21 -22.905 4.493 -4.884 1.00 0.94 C ATOM 2086 OH TYR B 21 -23.821 4.083 -5.831 1.00 1.05 O ATOM 0 H TYR B 21 -17.965 6.161 -0.526 1.00 0.52 H new ATOM 0 HA TYR B 21 -18.742 4.084 -2.198 1.00 0.57 H new ATOM 0 HB2 TYR B 21 -20.348 5.439 -0.931 1.00 0.66 H new ATOM 0 HB3 TYR B 21 -19.978 6.855 -1.896 1.00 0.66 H new ATOM 0 HD1 TYR B 21 -20.312 6.661 -4.482 1.00 0.83 H new ATOM 0 HD2 TYR B 21 -21.992 3.893 -1.659 1.00 0.75 H new ATOM 0 HE1 TYR B 21 -21.958 5.926 -6.186 1.00 0.93 H new ATOM 0 HE2 TYR B 21 -23.638 3.157 -3.361 1.00 0.85 H new ATOM 0 HH TYR B 21 -24.399 3.390 -5.449 1.00 1.05 H new ATOM 2096 N ILE B 22 -18.395 4.681 -4.633 1.00 0.66 N ATOM 2097 CA ILE B 22 -18.046 5.033 -6.034 1.00 0.74 C ATOM 2098 C ILE B 22 -19.245 4.760 -6.940 1.00 0.85 C ATOM 2099 O ILE B 22 -19.677 3.635 -7.091 1.00 0.87 O ATOM 2100 CB ILE B 22 -16.857 4.187 -6.492 1.00 0.69 C ATOM 2101 CG1 ILE B 22 -15.678 4.411 -5.542 1.00 0.59 C ATOM 2102 CG2 ILE B 22 -16.454 4.598 -7.909 1.00 0.77 C ATOM 2103 CD1 ILE B 22 -14.417 3.780 -6.137 1.00 0.55 C ATOM 0 H ILE B 22 -18.691 3.716 -4.486 1.00 0.66 H new ATOM 0 HA ILE B 22 -17.782 6.089 -6.089 1.00 0.74 H new ATOM 0 HB ILE B 22 -17.136 3.133 -6.485 1.00 0.69 H new ATOM 0 HG12 ILE B 22 -15.523 5.478 -5.383 1.00 0.59 H new ATOM 0 HG13 ILE B 22 -15.893 3.971 -4.568 1.00 0.59 H new ATOM 0 HG21 ILE B 22 -15.607 3.995 -8.236 1.00 0.77 H new ATOM 0 HG22 ILE B 22 -17.294 4.441 -8.586 1.00 0.77 H new ATOM 0 HG23 ILE B 22 -16.174 5.651 -7.917 1.00 0.77 H new ATOM 0 HD11 ILE B 22 -13.577 3.939 -5.461 1.00 0.55 H new ATOM 0 HD12 ILE B 22 -14.575 2.710 -6.274 1.00 0.55 H new ATOM 0 HD13 ILE B 22 -14.200 4.241 -7.101 1.00 0.55 H new ATOM 2115 N ASP B 23 -19.780 5.778 -7.555 1.00 0.95 N ATOM 2116 CA ASP B 23 -20.940 5.565 -8.460 1.00 1.07 C ATOM 2117 C ASP B 23 -20.405 5.144 -9.824 1.00 1.12 C ATOM 2118 O ASP B 23 -20.061 5.965 -10.647 1.00 1.19 O ATOM 2119 CB ASP B 23 -21.748 6.857 -8.580 1.00 1.17 C ATOM 2120 CG ASP B 23 -22.905 6.655 -9.563 1.00 1.53 C ATOM 2121 OD1 ASP B 23 -22.687 6.028 -10.586 1.00 2.03 O ATOM 2122 OD2 ASP B 23 -23.990 7.132 -9.274 1.00 2.08 O ATOM 0 H ASP B 23 -19.464 6.744 -7.470 1.00 0.95 H new ATOM 0 HA ASP B 23 -21.596 4.790 -8.063 1.00 1.07 H new ATOM 0 HB2 ASP B 23 -22.135 7.147 -7.603 1.00 1.17 H new ATOM 0 HB3 ASP B 23 -21.105 7.668 -8.922 1.00 1.17 H new ATOM 2127 N PHE B 24 -20.319 3.857 -10.032 1.00 1.10 N ATOM 2128 CA PHE B 24 -19.791 3.280 -11.310 1.00 1.15 C ATOM 2129 C PHE B 24 -19.697 4.319 -12.432 1.00 1.22 C ATOM 2130 O PHE B 24 -18.655 4.500 -13.027 1.00 1.22 O ATOM 2131 CB PHE B 24 -20.719 2.152 -11.764 1.00 1.22 C ATOM 2132 CG PHE B 24 -20.302 0.860 -11.107 1.00 1.18 C ATOM 2133 CD1 PHE B 24 -19.100 0.247 -11.474 1.00 1.15 C ATOM 2134 CD2 PHE B 24 -21.113 0.279 -10.126 1.00 1.21 C ATOM 2135 CE1 PHE B 24 -18.708 -0.947 -10.860 1.00 1.14 C ATOM 2136 CE2 PHE B 24 -20.721 -0.917 -9.515 1.00 1.19 C ATOM 2137 CZ PHE B 24 -19.519 -1.528 -9.881 1.00 1.16 C ATOM 0 H PHE B 24 -20.602 3.156 -9.347 1.00 1.10 H new ATOM 0 HA PHE B 24 -18.783 2.914 -11.112 1.00 1.15 H new ATOM 0 HB2 PHE B 24 -21.750 2.388 -11.503 1.00 1.22 H new ATOM 0 HB3 PHE B 24 -20.680 2.050 -12.848 1.00 1.22 H new ATOM 0 HD1 PHE B 24 -18.474 0.695 -12.232 1.00 1.15 H new ATOM 0 HD2 PHE B 24 -22.040 0.753 -9.841 1.00 1.21 H new ATOM 0 HE1 PHE B 24 -17.779 -1.420 -11.142 1.00 1.14 H new ATOM 0 HE2 PHE B 24 -21.348 -1.368 -8.760 1.00 1.19 H new ATOM 0 HZ PHE B 24 -19.216 -2.450 -9.407 1.00 1.16 H new ATOM 2147 N ARG B 25 -20.777 4.976 -12.751 1.00 1.30 N ATOM 2148 CA ARG B 25 -20.744 5.961 -13.872 1.00 1.38 C ATOM 2149 C ARG B 25 -20.331 7.359 -13.398 1.00 1.36 C ATOM 2150 O ARG B 25 -19.636 8.071 -14.095 1.00 1.38 O ATOM 2151 CB ARG B 25 -22.134 6.041 -14.507 1.00 1.52 C ATOM 2152 CG ARG B 25 -22.010 6.551 -15.944 1.00 2.07 C ATOM 2153 CD ARG B 25 -23.374 7.045 -16.430 1.00 2.46 C ATOM 2154 NE ARG B 25 -23.360 7.160 -17.915 1.00 2.87 N ATOM 2155 CZ ARG B 25 -24.440 7.523 -18.552 1.00 3.39 C ATOM 2156 NH1 ARG B 25 -25.396 8.143 -17.915 1.00 3.81 N ATOM 2157 NH2 ARG B 25 -24.564 7.265 -19.825 1.00 3.96 N ATOM 0 H ARG B 25 -21.679 4.875 -12.287 1.00 1.30 H new ATOM 0 HA ARG B 25 -20.003 5.620 -14.595 1.00 1.38 H new ATOM 0 HB2 ARG B 25 -22.607 5.059 -14.498 1.00 1.52 H new ATOM 0 HB3 ARG B 25 -22.773 6.707 -13.927 1.00 1.52 H new ATOM 0 HG2 ARG B 25 -21.280 7.359 -15.993 1.00 2.07 H new ATOM 0 HG3 ARG B 25 -21.647 5.755 -16.594 1.00 2.07 H new ATOM 0 HD2 ARG B 25 -24.156 6.354 -16.115 1.00 2.46 H new ATOM 0 HD3 ARG B 25 -23.603 8.012 -15.982 1.00 2.46 H new ATOM 0 HE ARG B 25 -22.506 6.955 -18.434 1.00 2.87 H new ATOM 0 HH11 ARG B 25 -25.299 8.344 -16.920 1.00 3.81 H new ATOM 0 HH12 ARG B 25 -26.240 8.427 -18.413 1.00 3.81 H new ATOM 0 HH21 ARG B 25 -23.817 6.780 -20.322 1.00 3.96 H new ATOM 0 HH22 ARG B 25 -25.408 7.549 -20.323 1.00 3.96 H new ATOM 2171 N LYS B 26 -20.768 7.779 -12.245 1.00 1.34 N ATOM 2172 CA LYS B 26 -20.410 9.151 -11.780 1.00 1.35 C ATOM 2173 C LYS B 26 -18.900 9.272 -11.579 1.00 1.26 C ATOM 2174 O LYS B 26 -18.272 10.202 -12.046 1.00 1.30 O ATOM 2175 CB LYS B 26 -21.098 9.435 -10.448 1.00 1.34 C ATOM 2176 CG LYS B 26 -21.422 10.927 -10.346 1.00 1.44 C ATOM 2177 CD LYS B 26 -21.859 11.259 -8.918 1.00 1.82 C ATOM 2178 CE LYS B 26 -22.124 12.761 -8.802 1.00 2.20 C ATOM 2179 NZ LYS B 26 -22.748 13.054 -7.481 1.00 2.88 N ATOM 0 H LYS B 26 -21.353 7.239 -11.607 1.00 1.34 H new ATOM 0 HA LYS B 26 -20.735 9.865 -12.537 1.00 1.35 H new ATOM 0 HB2 LYS B 26 -22.013 8.848 -10.367 1.00 1.34 H new ATOM 0 HB3 LYS B 26 -20.452 9.135 -9.622 1.00 1.34 H new ATOM 0 HG2 LYS B 26 -20.548 11.519 -10.617 1.00 1.44 H new ATOM 0 HG3 LYS B 26 -22.213 11.187 -11.049 1.00 1.44 H new ATOM 0 HD2 LYS B 26 -22.759 10.699 -8.662 1.00 1.82 H new ATOM 0 HD3 LYS B 26 -21.086 10.960 -8.211 1.00 1.82 H new ATOM 0 HE2 LYS B 26 -21.191 13.315 -8.907 1.00 2.20 H new ATOM 0 HE3 LYS B 26 -22.781 13.089 -9.607 1.00 2.20 H new ATOM 0 HZ1 LYS B 26 -22.929 14.075 -7.401 1.00 2.88 H new ATOM 0 HZ2 LYS B 26 -23.646 12.536 -7.399 1.00 2.88 H new ATOM 0 HZ3 LYS B 26 -22.105 12.756 -6.720 1.00 2.88 H new ATOM 2193 N ASP B 27 -18.320 8.360 -10.854 1.00 1.14 N ATOM 2194 CA ASP B 27 -16.862 8.438 -10.579 1.00 1.05 C ATOM 2195 C ASP B 27 -16.041 7.700 -11.643 1.00 1.04 C ATOM 2196 O ASP B 27 -15.141 8.261 -12.235 1.00 1.08 O ATOM 2197 CB ASP B 27 -16.601 7.811 -9.215 1.00 0.94 C ATOM 2198 CG ASP B 27 -16.677 8.889 -8.133 1.00 0.96 C ATOM 2199 OD1 ASP B 27 -15.774 9.707 -8.075 1.00 1.42 O ATOM 2200 OD2 ASP B 27 -17.637 8.877 -7.380 1.00 1.47 O ATOM 0 H ASP B 27 -18.796 7.560 -10.438 1.00 1.14 H new ATOM 0 HA ASP B 27 -16.558 9.485 -10.597 1.00 1.05 H new ATOM 0 HB2 ASP B 27 -17.334 7.029 -9.016 1.00 0.94 H new ATOM 0 HB3 ASP B 27 -15.619 7.338 -9.203 1.00 0.94 H new ATOM 2205 N LEU B 28 -16.310 6.444 -11.868 1.00 1.01 N ATOM 2206 CA LEU B 28 -15.501 5.685 -12.869 1.00 1.03 C ATOM 2207 C LEU B 28 -16.100 5.812 -14.269 1.00 1.14 C ATOM 2208 O LEU B 28 -15.435 5.565 -15.256 1.00 1.17 O ATOM 2209 CB LEU B 28 -15.474 4.208 -12.476 1.00 0.98 C ATOM 2210 CG LEU B 28 -14.946 4.074 -11.051 1.00 0.86 C ATOM 2211 CD1 LEU B 28 -14.699 2.598 -10.734 1.00 0.84 C ATOM 2212 CD2 LEU B 28 -13.634 4.849 -10.926 1.00 0.75 C ATOM 0 H LEU B 28 -17.048 5.912 -11.408 1.00 1.01 H new ATOM 0 HA LEU B 28 -14.492 6.098 -12.881 1.00 1.03 H new ATOM 0 HB2 LEU B 28 -16.475 3.783 -12.546 1.00 0.98 H new ATOM 0 HB3 LEU B 28 -14.841 3.648 -13.165 1.00 0.98 H new ATOM 0 HG LEU B 28 -15.678 4.476 -10.350 1.00 0.86 H new ATOM 0 HD11 LEU B 28 -14.322 2.503 -9.716 1.00 0.84 H new ATOM 0 HD12 LEU B 28 -15.633 2.044 -10.828 1.00 0.84 H new ATOM 0 HD13 LEU B 28 -13.966 2.194 -11.432 1.00 0.84 H new ATOM 0 HD21 LEU B 28 -13.252 4.757 -9.909 1.00 0.75 H new ATOM 0 HD22 LEU B 28 -12.904 4.443 -11.626 1.00 0.75 H new ATOM 0 HD23 LEU B 28 -13.809 5.900 -11.153 1.00 0.75 H new ATOM 2224 N GLY B 29 -17.344 6.176 -14.377 1.00 1.22 N ATOM 2225 CA GLY B 29 -17.954 6.289 -15.732 1.00 1.33 C ATOM 2226 C GLY B 29 -17.970 4.903 -16.386 1.00 1.36 C ATOM 2227 O GLY B 29 -18.219 4.764 -17.567 1.00 1.44 O ATOM 0 H GLY B 29 -17.961 6.399 -13.596 1.00 1.22 H new ATOM 0 HA2 GLY B 29 -18.968 6.682 -15.657 1.00 1.33 H new ATOM 0 HA3 GLY B 29 -17.385 6.988 -16.345 1.00 1.33 H new ATOM 2231 N TRP B 30 -17.701 3.876 -15.621 1.00 1.29 N ATOM 2232 CA TRP B 30 -17.690 2.496 -16.181 1.00 1.33 C ATOM 2233 C TRP B 30 -18.910 2.292 -17.078 1.00 1.45 C ATOM 2234 O TRP B 30 -20.033 2.541 -16.687 1.00 1.49 O ATOM 2235 CB TRP B 30 -17.729 1.487 -15.032 1.00 1.27 C ATOM 2236 CG TRP B 30 -16.333 1.186 -14.588 1.00 1.16 C ATOM 2237 CD1 TRP B 30 -15.236 1.896 -14.936 1.00 1.12 C ATOM 2238 CD2 TRP B 30 -15.867 0.109 -13.726 1.00 1.11 C ATOM 2239 NE1 TRP B 30 -14.125 1.323 -14.343 1.00 1.04 N ATOM 2240 CE2 TRP B 30 -14.463 0.218 -13.587 1.00 1.03 C ATOM 2241 CE3 TRP B 30 -16.520 -0.941 -13.058 1.00 1.13 C ATOM 2242 CZ2 TRP B 30 -13.733 -0.685 -12.813 1.00 0.98 C ATOM 2243 CZ3 TRP B 30 -15.789 -1.853 -12.279 1.00 1.08 C ATOM 2244 CH2 TRP B 30 -14.398 -1.725 -12.157 1.00 1.01 C ATOM 0 H TRP B 30 -17.487 3.937 -14.626 1.00 1.29 H new ATOM 0 HA TRP B 30 -16.784 2.351 -16.770 1.00 1.33 H new ATOM 0 HB2 TRP B 30 -18.308 1.888 -14.200 1.00 1.27 H new ATOM 0 HB3 TRP B 30 -18.225 0.572 -15.354 1.00 1.27 H new ATOM 0 HD1 TRP B 30 -15.228 2.768 -15.573 1.00 1.12 H new ATOM 0 HE1 TRP B 30 -13.173 1.674 -14.451 1.00 1.04 H new ATOM 0 HE3 TRP B 30 -17.591 -1.047 -13.144 1.00 1.13 H new ATOM 0 HZ2 TRP B 30 -12.662 -0.581 -12.721 1.00 0.98 H new ATOM 0 HZ3 TRP B 30 -16.301 -2.657 -11.771 1.00 1.08 H new ATOM 0 HH2 TRP B 30 -13.841 -2.429 -11.557 1.00 1.01 H new ATOM 2255 N LYS B 31 -18.693 1.846 -18.283 1.00 1.54 N ATOM 2256 CA LYS B 31 -19.819 1.628 -19.216 1.00 1.66 C ATOM 2257 C LYS B 31 -20.071 0.129 -19.377 1.00 1.71 C ATOM 2258 O LYS B 31 -21.064 -0.285 -19.942 1.00 1.82 O ATOM 2259 CB LYS B 31 -19.439 2.220 -20.566 1.00 1.74 C ATOM 2260 CG LYS B 31 -19.899 3.677 -20.640 1.00 1.76 C ATOM 2261 CD LYS B 31 -19.136 4.398 -21.752 1.00 2.00 C ATOM 2262 CE LYS B 31 -19.556 5.868 -21.791 1.00 2.43 C ATOM 2263 NZ LYS B 31 -19.083 6.487 -23.061 1.00 2.84 N ATOM 0 H LYS B 31 -17.772 1.623 -18.660 1.00 1.54 H new ATOM 0 HA LYS B 31 -20.722 2.102 -18.831 1.00 1.66 H new ATOM 0 HB2 LYS B 31 -18.360 2.162 -20.708 1.00 1.74 H new ATOM 0 HB3 LYS B 31 -19.898 1.643 -21.369 1.00 1.74 H new ATOM 0 HG2 LYS B 31 -20.971 3.721 -20.832 1.00 1.76 H new ATOM 0 HG3 LYS B 31 -19.726 4.173 -19.685 1.00 1.76 H new ATOM 0 HD2 LYS B 31 -18.062 4.320 -21.580 1.00 2.00 H new ATOM 0 HD3 LYS B 31 -19.340 3.925 -22.713 1.00 2.00 H new ATOM 0 HE2 LYS B 31 -20.640 5.949 -21.716 1.00 2.43 H new ATOM 0 HE3 LYS B 31 -19.137 6.400 -20.937 1.00 2.43 H new ATOM 0 HZ1 LYS B 31 -19.369 7.487 -23.087 1.00 2.84 H new ATOM 0 HZ2 LYS B 31 -18.046 6.422 -23.114 1.00 2.84 H new ATOM 0 HZ3 LYS B 31 -19.503 5.985 -23.869 1.00 2.84 H new ATOM 2277 N TRP B 32 -19.175 -0.691 -18.898 1.00 1.65 N ATOM 2278 CA TRP B 32 -19.370 -2.160 -19.043 1.00 1.72 C ATOM 2279 C TRP B 32 -20.214 -2.692 -17.887 1.00 1.70 C ATOM 2280 O TRP B 32 -20.537 -3.860 -17.836 1.00 1.75 O ATOM 2281 CB TRP B 32 -18.011 -2.864 -19.058 1.00 1.69 C ATOM 2282 CG TRP B 32 -17.439 -2.920 -17.675 1.00 1.57 C ATOM 2283 CD1 TRP B 32 -16.821 -1.894 -17.049 1.00 1.46 C ATOM 2284 CD2 TRP B 32 -17.419 -4.039 -16.742 1.00 1.56 C ATOM 2285 NE1 TRP B 32 -16.407 -2.316 -15.801 1.00 1.37 N ATOM 2286 CE2 TRP B 32 -16.754 -3.630 -15.563 1.00 1.43 C ATOM 2287 CE3 TRP B 32 -17.905 -5.356 -16.804 1.00 1.65 C ATOM 2288 CZ2 TRP B 32 -16.575 -4.499 -14.485 1.00 1.40 C ATOM 2289 CZ3 TRP B 32 -17.730 -6.234 -15.721 1.00 1.63 C ATOM 2290 CH2 TRP B 32 -17.063 -5.805 -14.564 1.00 1.50 C ATOM 0 H TRP B 32 -18.322 -0.409 -18.416 1.00 1.65 H new ATOM 0 HA TRP B 32 -19.888 -2.358 -19.981 1.00 1.72 H new ATOM 0 HB2 TRP B 32 -18.121 -3.873 -19.454 1.00 1.69 H new ATOM 0 HB3 TRP B 32 -17.327 -2.334 -19.721 1.00 1.69 H new ATOM 0 HD1 TRP B 32 -16.675 -0.905 -17.458 1.00 1.46 H new ATOM 0 HE1 TRP B 32 -15.905 -1.728 -15.136 1.00 1.37 H new ATOM 0 HE3 TRP B 32 -18.417 -5.696 -17.692 1.00 1.65 H new ATOM 0 HZ2 TRP B 32 -16.062 -4.163 -13.596 1.00 1.40 H new ATOM 0 HZ3 TRP B 32 -18.111 -7.243 -15.780 1.00 1.63 H new ATOM 0 HH2 TRP B 32 -16.927 -6.484 -13.735 1.00 1.50 H new ATOM 2301 N ILE B 33 -20.576 -1.850 -16.961 1.00 1.63 N ATOM 2302 CA ILE B 33 -21.401 -2.320 -15.815 1.00 1.62 C ATOM 2303 C ILE B 33 -22.683 -1.486 -15.738 1.00 1.65 C ATOM 2304 O ILE B 33 -22.653 -0.272 -15.765 1.00 1.63 O ATOM 2305 CB ILE B 33 -20.591 -2.184 -14.519 1.00 1.48 C ATOM 2306 CG1 ILE B 33 -19.693 -3.411 -14.372 1.00 1.47 C ATOM 2307 CG2 ILE B 33 -21.525 -2.096 -13.308 1.00 1.47 C ATOM 2308 CD1 ILE B 33 -18.752 -3.221 -13.185 1.00 1.35 C ATOM 0 H ILE B 33 -20.337 -0.859 -16.948 1.00 1.63 H new ATOM 0 HA ILE B 33 -21.671 -3.367 -15.953 1.00 1.62 H new ATOM 0 HB ILE B 33 -19.992 -1.275 -14.565 1.00 1.48 H new ATOM 0 HG12 ILE B 33 -20.302 -4.304 -14.227 1.00 1.47 H new ATOM 0 HG13 ILE B 33 -19.117 -3.563 -15.285 1.00 1.47 H new ATOM 0 HG21 ILE B 33 -20.933 -2.000 -12.398 1.00 1.47 H new ATOM 0 HG22 ILE B 33 -22.174 -1.227 -13.412 1.00 1.47 H new ATOM 0 HG23 ILE B 33 -22.133 -2.999 -13.251 1.00 1.47 H new ATOM 0 HD11 ILE B 33 -18.113 -4.098 -13.083 1.00 1.35 H new ATOM 0 HD12 ILE B 33 -18.134 -2.339 -13.349 1.00 1.35 H new ATOM 0 HD13 ILE B 33 -19.337 -3.090 -12.274 1.00 1.35 H new ATOM 2320 N HIS B 34 -23.810 -2.136 -15.644 1.00 1.73 N ATOM 2321 CA HIS B 34 -25.100 -1.397 -15.567 1.00 1.77 C ATOM 2322 C HIS B 34 -25.499 -1.216 -14.099 1.00 1.72 C ATOM 2323 O HIS B 34 -25.765 -0.119 -13.649 1.00 1.71 O ATOM 2324 CB HIS B 34 -26.180 -2.197 -16.306 1.00 1.89 C ATOM 2325 CG HIS B 34 -27.547 -1.699 -15.918 1.00 2.16 C ATOM 2326 ND1 HIS B 34 -27.945 -0.388 -16.128 1.00 2.60 N ATOM 2327 CD2 HIS B 34 -28.618 -2.327 -15.331 1.00 2.21 C ATOM 2328 CE1 HIS B 34 -29.206 -0.270 -15.675 1.00 2.94 C ATOM 2329 NE2 HIS B 34 -29.665 -1.422 -15.178 1.00 2.67 N ATOM 0 H HIS B 34 -23.892 -3.152 -15.617 1.00 1.73 H new ATOM 0 HA HIS B 34 -24.993 -0.416 -16.030 1.00 1.77 H new ATOM 0 HB2 HIS B 34 -26.042 -2.102 -17.383 1.00 1.89 H new ATOM 0 HB3 HIS B 34 -26.088 -3.256 -16.065 1.00 1.89 H new ATOM 0 HD2 HIS B 34 -28.644 -3.365 -15.033 1.00 2.21 H new ATOM 0 HE1 HIS B 34 -29.778 0.645 -15.709 1.00 2.94 H new ATOM 0 HE2 HIS B 34 -30.584 -1.600 -14.774 1.00 2.67 H new ATOM 2337 N GLU B 35 -25.545 -2.283 -13.349 1.00 1.71 N ATOM 2338 CA GLU B 35 -25.929 -2.166 -11.913 1.00 1.67 C ATOM 2339 C GLU B 35 -24.922 -2.931 -11.048 1.00 1.58 C ATOM 2340 O GLU B 35 -24.297 -3.866 -11.508 1.00 1.59 O ATOM 2341 CB GLU B 35 -27.326 -2.756 -11.710 1.00 1.79 C ATOM 2342 CG GLU B 35 -28.378 -1.674 -11.961 1.00 1.95 C ATOM 2343 CD GLU B 35 -29.621 -1.965 -11.117 1.00 1.96 C ATOM 2344 OE1 GLU B 35 -29.707 -3.058 -10.582 1.00 2.14 O ATOM 2345 OE2 GLU B 35 -30.466 -1.090 -11.021 1.00 2.47 O ATOM 0 H GLU B 35 -25.334 -3.229 -13.667 1.00 1.71 H new ATOM 0 HA GLU B 35 -25.931 -1.115 -11.623 1.00 1.67 H new ATOM 0 HB2 GLU B 35 -27.481 -3.594 -12.390 1.00 1.79 H new ATOM 0 HB3 GLU B 35 -27.424 -3.146 -10.697 1.00 1.79 H new ATOM 0 HG2 GLU B 35 -27.975 -0.694 -11.707 1.00 1.95 H new ATOM 0 HG3 GLU B 35 -28.642 -1.646 -13.018 1.00 1.95 H new ATOM 2352 N PRO B 36 -24.798 -2.507 -9.816 1.00 1.50 N ATOM 2353 CA PRO B 36 -25.564 -1.370 -9.273 1.00 1.50 C ATOM 2354 C PRO B 36 -24.963 -0.045 -9.747 1.00 1.45 C ATOM 2355 O PRO B 36 -23.922 -0.012 -10.373 1.00 1.40 O ATOM 2356 CB PRO B 36 -25.411 -1.527 -7.758 1.00 1.43 C ATOM 2357 CG PRO B 36 -24.135 -2.373 -7.534 1.00 1.35 C ATOM 2358 CD PRO B 36 -23.873 -3.130 -8.849 1.00 1.41 C ATOM 0 HA PRO B 36 -26.606 -1.362 -9.594 1.00 1.50 H new ATOM 0 HB2 PRO B 36 -25.322 -0.555 -7.274 1.00 1.43 H new ATOM 0 HB3 PRO B 36 -26.284 -2.019 -7.328 1.00 1.43 H new ATOM 0 HG2 PRO B 36 -23.288 -1.736 -7.278 1.00 1.35 H new ATOM 0 HG3 PRO B 36 -24.272 -3.069 -6.707 1.00 1.35 H new ATOM 0 HD2 PRO B 36 -22.836 -3.028 -9.168 1.00 1.41 H new ATOM 0 HD3 PRO B 36 -24.069 -4.197 -8.740 1.00 1.41 H new ATOM 2366 N LYS B 37 -25.607 1.047 -9.445 1.00 1.47 N ATOM 2367 CA LYS B 37 -25.080 2.366 -9.862 1.00 1.44 C ATOM 2368 C LYS B 37 -23.697 2.572 -9.249 1.00 1.30 C ATOM 2369 O LYS B 37 -22.816 3.154 -9.850 1.00 1.27 O ATOM 2370 CB LYS B 37 -26.027 3.443 -9.351 1.00 1.50 C ATOM 2371 CG LYS B 37 -27.090 3.742 -10.410 1.00 1.64 C ATOM 2372 CD LYS B 37 -28.395 4.148 -9.724 1.00 2.22 C ATOM 2373 CE LYS B 37 -29.518 4.216 -10.761 1.00 2.62 C ATOM 2374 NZ LYS B 37 -30.404 5.375 -10.458 1.00 3.13 N ATOM 0 H LYS B 37 -26.483 1.078 -8.923 1.00 1.47 H new ATOM 0 HA LYS B 37 -25.003 2.418 -10.948 1.00 1.44 H new ATOM 0 HB2 LYS B 37 -26.503 3.113 -8.427 1.00 1.50 H new ATOM 0 HB3 LYS B 37 -25.469 4.349 -9.116 1.00 1.50 H new ATOM 0 HG2 LYS B 37 -26.749 4.542 -11.067 1.00 1.64 H new ATOM 0 HG3 LYS B 37 -27.253 2.864 -11.035 1.00 1.64 H new ATOM 0 HD2 LYS B 37 -28.648 3.428 -8.945 1.00 2.22 H new ATOM 0 HD3 LYS B 37 -28.276 5.116 -9.237 1.00 2.22 H new ATOM 0 HE2 LYS B 37 -29.098 4.318 -11.762 1.00 2.62 H new ATOM 0 HE3 LYS B 37 -30.095 3.291 -10.750 1.00 2.62 H new ATOM 0 HZ1 LYS B 37 -31.168 5.422 -11.163 1.00 3.13 H new ATOM 0 HZ2 LYS B 37 -30.815 5.259 -9.510 1.00 3.13 H new ATOM 0 HZ3 LYS B 37 -29.849 6.254 -10.490 1.00 3.13 H new ATOM 2388 N GLY B 38 -23.506 2.097 -8.052 1.00 1.23 N ATOM 2389 CA GLY B 38 -22.184 2.258 -7.384 1.00 1.10 C ATOM 2390 C GLY B 38 -22.079 1.275 -6.218 1.00 1.01 C ATOM 2391 O GLY B 38 -22.670 0.213 -6.235 1.00 1.05 O ATOM 0 H GLY B 38 -24.210 1.602 -7.504 1.00 1.23 H new ATOM 0 HA2 GLY B 38 -21.380 2.079 -8.098 1.00 1.10 H new ATOM 0 HA3 GLY B 38 -22.069 3.280 -7.023 1.00 1.10 H new ATOM 2395 N TYR B 39 -21.331 1.617 -5.205 1.00 0.93 N ATOM 2396 CA TYR B 39 -21.189 0.699 -4.040 1.00 0.86 C ATOM 2397 C TYR B 39 -20.248 1.323 -3.008 1.00 0.75 C ATOM 2398 O TYR B 39 -19.702 2.388 -3.216 1.00 0.76 O ATOM 2399 CB TYR B 39 -20.616 -0.639 -4.515 1.00 0.89 C ATOM 2400 CG TYR B 39 -19.154 -0.474 -4.856 1.00 0.84 C ATOM 2401 CD1 TYR B 39 -18.771 0.301 -5.958 1.00 0.89 C ATOM 2402 CD2 TYR B 39 -18.181 -1.100 -4.071 1.00 0.78 C ATOM 2403 CE1 TYR B 39 -17.415 0.449 -6.272 1.00 0.86 C ATOM 2404 CE2 TYR B 39 -16.827 -0.952 -4.385 1.00 0.75 C ATOM 2405 CZ TYR B 39 -16.443 -0.178 -5.486 1.00 0.79 C ATOM 2406 OH TYR B 39 -15.106 -0.032 -5.795 1.00 0.77 O ATOM 0 H TYR B 39 -20.812 2.492 -5.134 1.00 0.93 H new ATOM 0 HA TYR B 39 -22.165 0.535 -3.584 1.00 0.86 H new ATOM 0 HB2 TYR B 39 -20.735 -1.393 -3.737 1.00 0.89 H new ATOM 0 HB3 TYR B 39 -21.165 -0.992 -5.388 1.00 0.89 H new ATOM 0 HD1 TYR B 39 -19.522 0.784 -6.565 1.00 0.89 H new ATOM 0 HD2 TYR B 39 -18.476 -1.698 -3.222 1.00 0.78 H new ATOM 0 HE1 TYR B 39 -17.119 1.047 -7.121 1.00 0.86 H new ATOM 0 HE2 TYR B 39 -16.076 -1.435 -3.777 1.00 0.75 H new ATOM 0 HH TYR B 39 -14.819 -0.776 -6.365 1.00 0.77 H new ATOM 2416 N HIS B 40 -20.048 0.668 -1.897 1.00 0.67 N ATOM 2417 CA HIS B 40 -19.136 1.226 -0.859 1.00 0.58 C ATOM 2418 C HIS B 40 -17.713 0.736 -1.133 1.00 0.52 C ATOM 2419 O HIS B 40 -17.248 -0.215 -0.537 1.00 0.54 O ATOM 2420 CB HIS B 40 -19.584 0.752 0.525 1.00 0.60 C ATOM 2421 CG HIS B 40 -20.956 1.292 0.820 1.00 0.65 C ATOM 2422 ND1 HIS B 40 -22.099 0.764 0.239 1.00 1.23 N ATOM 2423 CD2 HIS B 40 -21.385 2.311 1.634 1.00 1.02 C ATOM 2424 CE1 HIS B 40 -23.150 1.462 0.707 1.00 1.04 C ATOM 2425 NE2 HIS B 40 -22.771 2.417 1.560 1.00 0.88 N ATOM 0 H HIS B 40 -20.476 -0.228 -1.664 1.00 0.67 H new ATOM 0 HA HIS B 40 -19.164 2.315 -0.890 1.00 0.58 H new ATOM 0 HB2 HIS B 40 -19.595 -0.337 0.562 1.00 0.60 H new ATOM 0 HB3 HIS B 40 -18.878 1.090 1.283 1.00 0.60 H new ATOM 0 HD2 HIS B 40 -20.745 2.935 2.240 1.00 1.02 H new ATOM 0 HE1 HIS B 40 -24.176 1.273 0.427 1.00 1.04 H new ATOM 0 HE2 HIS B 40 -23.369 3.081 2.052 1.00 0.88 H new ATOM 2433 N ALA B 41 -17.021 1.371 -2.039 1.00 0.49 N ATOM 2434 CA ALA B 41 -15.634 0.933 -2.362 1.00 0.46 C ATOM 2435 C ALA B 41 -14.706 1.208 -1.177 1.00 0.35 C ATOM 2436 O ALA B 41 -13.726 0.518 -0.976 1.00 0.37 O ATOM 2437 CB ALA B 41 -15.134 1.692 -3.593 1.00 0.50 C ATOM 0 H ALA B 41 -17.357 2.175 -2.570 1.00 0.49 H new ATOM 0 HA ALA B 41 -15.637 -0.137 -2.568 1.00 0.46 H new ATOM 0 HB1 ALA B 41 -14.119 1.372 -3.830 1.00 0.50 H new ATOM 0 HB2 ALA B 41 -15.788 1.483 -4.440 1.00 0.50 H new ATOM 0 HB3 ALA B 41 -15.138 2.762 -3.387 1.00 0.50 H new ATOM 2443 N ASN B 42 -14.999 2.204 -0.389 1.00 0.33 N ATOM 2444 CA ASN B 42 -14.121 2.505 0.775 1.00 0.30 C ATOM 2445 C ASN B 42 -12.674 2.634 0.296 1.00 0.27 C ATOM 2446 O ASN B 42 -12.373 2.415 -0.860 1.00 0.26 O ATOM 2447 CB ASN B 42 -14.215 1.365 1.792 1.00 0.34 C ATOM 2448 CG ASN B 42 -15.324 1.670 2.801 1.00 0.42 C ATOM 2449 OD1 ASN B 42 -15.324 2.712 3.425 1.00 1.07 O ATOM 2450 ND2 ASN B 42 -16.276 0.797 2.989 1.00 1.09 N ATOM 0 H ASN B 42 -15.804 2.820 -0.500 1.00 0.33 H new ATOM 0 HA ASN B 42 -14.440 3.438 1.240 1.00 0.30 H new ATOM 0 HB2 ASN B 42 -14.422 0.424 1.282 1.00 0.34 H new ATOM 0 HB3 ASN B 42 -13.262 1.245 2.308 1.00 0.34 H new ATOM 0 HD21 ASN B 42 -17.020 0.990 3.660 1.00 1.09 H new ATOM 0 HD22 ASN B 42 -16.276 -0.078 2.465 1.00 1.09 H new ATOM 2457 N PHE B 43 -11.774 2.978 1.178 1.00 0.29 N ATOM 2458 CA PHE B 43 -10.346 3.113 0.773 1.00 0.30 C ATOM 2459 C PHE B 43 -9.519 3.565 1.974 1.00 0.37 C ATOM 2460 O PHE B 43 -9.999 3.593 3.087 1.00 0.48 O ATOM 2461 CB PHE B 43 -10.212 4.125 -0.370 1.00 0.32 C ATOM 2462 CG PHE B 43 -10.380 5.540 0.133 1.00 0.35 C ATOM 2463 CD1 PHE B 43 -11.396 5.863 1.042 1.00 0.40 C ATOM 2464 CD2 PHE B 43 -9.520 6.539 -0.333 1.00 0.39 C ATOM 2465 CE1 PHE B 43 -11.548 7.183 1.480 1.00 0.48 C ATOM 2466 CE2 PHE B 43 -9.672 7.855 0.107 1.00 0.48 C ATOM 2467 CZ PHE B 43 -10.686 8.179 1.013 1.00 0.52 C ATOM 0 H PHE B 43 -11.966 3.171 2.161 1.00 0.29 H new ATOM 0 HA PHE B 43 -9.979 2.148 0.424 1.00 0.30 H new ATOM 0 HB2 PHE B 43 -9.236 4.017 -0.842 1.00 0.32 H new ATOM 0 HB3 PHE B 43 -10.961 3.916 -1.134 1.00 0.32 H new ATOM 0 HD1 PHE B 43 -12.061 5.093 1.404 1.00 0.40 H new ATOM 0 HD2 PHE B 43 -8.737 6.292 -1.035 1.00 0.39 H new ATOM 0 HE1 PHE B 43 -12.332 7.432 2.180 1.00 0.48 H new ATOM 0 HE2 PHE B 43 -9.005 8.624 -0.253 1.00 0.48 H new ATOM 0 HZ PHE B 43 -10.803 9.198 1.352 1.00 0.52 H new ATOM 2477 N CYS B 44 -8.275 3.903 1.766 1.00 0.46 N ATOM 2478 CA CYS B 44 -7.426 4.331 2.916 1.00 0.56 C ATOM 2479 C CYS B 44 -6.661 5.607 2.556 1.00 0.58 C ATOM 2480 O CYS B 44 -6.287 5.816 1.419 1.00 0.66 O ATOM 2481 CB CYS B 44 -6.411 3.230 3.250 1.00 0.64 C ATOM 2482 SG CYS B 44 -7.083 1.603 2.819 1.00 0.82 S ATOM 0 H CYS B 44 -7.812 3.902 0.857 1.00 0.46 H new ATOM 0 HA CYS B 44 -8.071 4.517 3.775 1.00 0.56 H new ATOM 0 HB2 CYS B 44 -5.483 3.404 2.705 1.00 0.64 H new ATOM 0 HB3 CYS B 44 -6.167 3.261 4.312 1.00 0.64 H new ATOM 2487 N LEU B 45 -6.416 6.457 3.518 1.00 0.59 N ATOM 2488 CA LEU B 45 -5.663 7.711 3.226 1.00 0.67 C ATOM 2489 C LEU B 45 -4.729 8.039 4.394 1.00 0.99 C ATOM 2490 O LEU B 45 -5.000 7.709 5.531 1.00 1.35 O ATOM 2491 CB LEU B 45 -6.644 8.865 3.028 1.00 0.75 C ATOM 2492 CG LEU B 45 -7.306 8.750 1.659 1.00 0.65 C ATOM 2493 CD1 LEU B 45 -8.129 10.010 1.393 1.00 0.95 C ATOM 2494 CD2 LEU B 45 -6.233 8.604 0.577 1.00 0.61 C ATOM 0 H LEU B 45 -6.704 6.338 4.489 1.00 0.59 H new ATOM 0 HA LEU B 45 -5.075 7.570 2.319 1.00 0.67 H new ATOM 0 HB2 LEU B 45 -7.402 8.849 3.811 1.00 0.75 H new ATOM 0 HB3 LEU B 45 -6.121 9.818 3.110 1.00 0.75 H new ATOM 0 HG LEU B 45 -7.955 7.875 1.641 1.00 0.65 H new ATOM 0 HD11 LEU B 45 -8.605 9.934 0.415 1.00 0.95 H new ATOM 0 HD12 LEU B 45 -8.894 10.114 2.162 1.00 0.95 H new ATOM 0 HD13 LEU B 45 -7.475 10.882 1.411 1.00 0.95 H new ATOM 0 HD21 LEU B 45 -6.710 8.522 -0.400 1.00 0.61 H new ATOM 0 HD22 LEU B 45 -5.581 9.478 0.591 1.00 0.61 H new ATOM 0 HD23 LEU B 45 -5.643 7.708 0.769 1.00 0.61 H new ATOM 2506 N GLY B 46 -3.634 8.695 4.119 1.00 1.02 N ATOM 2507 CA GLY B 46 -2.683 9.058 5.210 1.00 1.38 C ATOM 2508 C GLY B 46 -1.780 7.864 5.538 1.00 0.91 C ATOM 2509 O GLY B 46 -2.187 6.726 5.413 1.00 1.00 O ATOM 0 H GLY B 46 -3.356 8.996 3.185 1.00 1.02 H new ATOM 0 HA2 GLY B 46 -2.076 9.911 4.906 1.00 1.38 H new ATOM 0 HA3 GLY B 46 -3.236 9.361 6.099 1.00 1.38 H new ATOM 2513 N PRO B 47 -0.575 8.168 5.957 1.00 0.83 N ATOM 2514 CA PRO B 47 0.423 7.147 6.323 1.00 0.74 C ATOM 2515 C PRO B 47 0.125 6.595 7.719 1.00 0.64 C ATOM 2516 O PRO B 47 -0.971 6.725 8.224 1.00 0.77 O ATOM 2517 CB PRO B 47 1.745 7.919 6.313 1.00 1.25 C ATOM 2518 CG PRO B 47 1.382 9.411 6.505 1.00 1.55 C ATOM 2519 CD PRO B 47 -0.098 9.559 6.102 1.00 1.32 C ATOM 0 HA PRO B 47 0.432 6.290 5.649 1.00 0.74 H new ATOM 0 HB2 PRO B 47 2.402 7.574 7.111 1.00 1.25 H new ATOM 0 HB3 PRO B 47 2.277 7.767 5.374 1.00 1.25 H new ATOM 0 HG2 PRO B 47 1.534 9.717 7.540 1.00 1.55 H new ATOM 0 HG3 PRO B 47 2.017 10.047 5.888 1.00 1.55 H new ATOM 0 HD2 PRO B 47 -0.665 10.098 6.861 1.00 1.32 H new ATOM 0 HD3 PRO B 47 -0.203 10.115 5.171 1.00 1.32 H new ATOM 2527 N CYS B 48 1.089 5.982 8.349 1.00 0.63 N ATOM 2528 CA CYS B 48 0.848 5.428 9.712 1.00 0.74 C ATOM 2529 C CYS B 48 2.112 5.561 10.566 1.00 0.65 C ATOM 2530 O CYS B 48 3.207 5.652 10.047 1.00 0.62 O ATOM 2531 CB CYS B 48 0.455 3.946 9.628 1.00 1.04 C ATOM 2532 SG CYS B 48 1.151 3.181 8.139 1.00 0.96 S ATOM 0 H CYS B 48 2.030 5.841 7.981 1.00 0.63 H new ATOM 0 HA CYS B 48 0.035 5.992 10.169 1.00 0.74 H new ATOM 0 HB2 CYS B 48 0.811 3.420 10.514 1.00 1.04 H new ATOM 0 HB3 CYS B 48 -0.631 3.853 9.617 1.00 1.04 H new ATOM 2537 N PRO B 49 1.913 5.554 11.861 1.00 0.69 N ATOM 2538 CA PRO B 49 3.011 5.656 12.841 1.00 0.70 C ATOM 2539 C PRO B 49 3.808 4.345 12.890 1.00 0.65 C ATOM 2540 O PRO B 49 3.853 3.604 11.928 1.00 0.66 O ATOM 2541 CB PRO B 49 2.286 5.930 14.166 1.00 0.83 C ATOM 2542 CG PRO B 49 0.837 5.427 13.980 1.00 0.88 C ATOM 2543 CD PRO B 49 0.569 5.440 12.465 1.00 0.79 C ATOM 0 HA PRO B 49 3.738 6.432 12.600 1.00 0.70 H new ATOM 0 HB2 PRO B 49 2.775 5.411 14.991 1.00 0.83 H new ATOM 0 HB3 PRO B 49 2.301 6.993 14.405 1.00 0.83 H new ATOM 0 HG2 PRO B 49 0.718 4.423 14.388 1.00 0.88 H new ATOM 0 HG3 PRO B 49 0.131 6.070 14.506 1.00 0.88 H new ATOM 0 HD2 PRO B 49 0.063 4.530 12.142 1.00 0.79 H new ATOM 0 HD3 PRO B 49 -0.068 6.277 12.180 1.00 0.79 H new ATOM 2551 N TYR B 50 4.454 4.060 13.990 1.00 0.70 N ATOM 2552 CA TYR B 50 5.261 2.805 14.074 1.00 0.77 C ATOM 2553 C TYR B 50 4.395 1.641 14.563 1.00 0.95 C ATOM 2554 O TYR B 50 4.271 0.633 13.903 1.00 1.77 O ATOM 2555 CB TYR B 50 6.433 2.986 15.051 1.00 0.87 C ATOM 2556 CG TYR B 50 6.662 4.451 15.340 1.00 0.85 C ATOM 2557 CD1 TYR B 50 7.146 5.295 14.336 1.00 0.71 C ATOM 2558 CD2 TYR B 50 6.392 4.962 16.616 1.00 1.09 C ATOM 2559 CE1 TYR B 50 7.360 6.651 14.605 1.00 0.83 C ATOM 2560 CE2 TYR B 50 6.606 6.319 16.885 1.00 1.16 C ATOM 2561 CZ TYR B 50 7.091 7.163 15.880 1.00 1.03 C ATOM 2562 OH TYR B 50 7.303 8.501 16.145 1.00 1.19 O ATOM 0 H TYR B 50 4.459 4.638 14.830 1.00 0.70 H new ATOM 0 HA TYR B 50 5.642 2.586 13.076 1.00 0.77 H new ATOM 0 HB2 TYR B 50 6.225 2.455 15.980 1.00 0.87 H new ATOM 0 HB3 TYR B 50 7.337 2.547 14.628 1.00 0.87 H new ATOM 0 HD1 TYR B 50 7.355 4.900 13.353 1.00 0.71 H new ATOM 0 HD2 TYR B 50 6.019 4.310 17.392 1.00 1.09 H new ATOM 0 HE1 TYR B 50 7.733 7.303 13.829 1.00 0.83 H new ATOM 0 HE2 TYR B 50 6.397 6.714 17.868 1.00 1.16 H new ATOM 0 HH TYR B 50 6.496 9.010 15.923 1.00 1.19 H new ATOM 2572 N ILE B 51 3.812 1.760 15.724 1.00 0.79 N ATOM 2573 CA ILE B 51 2.982 0.641 16.266 1.00 0.87 C ATOM 2574 C ILE B 51 1.607 0.577 15.586 1.00 0.84 C ATOM 2575 O ILE B 51 0.681 -0.005 16.115 1.00 1.08 O ATOM 2576 CB ILE B 51 2.773 0.856 17.761 1.00 0.98 C ATOM 2577 CG1 ILE B 51 2.321 2.299 18.001 1.00 0.99 C ATOM 2578 CG2 ILE B 51 4.084 0.600 18.506 1.00 1.09 C ATOM 2579 CD1 ILE B 51 1.417 2.354 19.233 1.00 1.16 C ATOM 0 H ILE B 51 3.873 2.583 16.323 1.00 0.79 H new ATOM 0 HA ILE B 51 3.508 -0.294 16.073 1.00 0.87 H new ATOM 0 HB ILE B 51 2.013 0.166 18.127 1.00 0.98 H new ATOM 0 HG12 ILE B 51 3.188 2.944 18.145 1.00 0.99 H new ATOM 0 HG13 ILE B 51 1.787 2.674 17.128 1.00 0.99 H new ATOM 0 HG21 ILE B 51 3.932 0.754 19.574 1.00 1.09 H new ATOM 0 HG22 ILE B 51 4.408 -0.426 18.330 1.00 1.09 H new ATOM 0 HG23 ILE B 51 4.848 1.289 18.145 1.00 1.09 H new ATOM 0 HD11 ILE B 51 1.096 3.382 19.403 1.00 1.16 H new ATOM 0 HD12 ILE B 51 0.543 1.723 19.072 1.00 1.16 H new ATOM 0 HD13 ILE B 51 1.967 1.997 20.104 1.00 1.16 H new ATOM 2591 N TRP B 52 1.455 1.159 14.433 1.00 0.78 N ATOM 2592 CA TRP B 52 0.133 1.112 13.751 1.00 0.82 C ATOM 2593 C TRP B 52 0.007 -0.191 12.957 1.00 0.95 C ATOM 2594 O TRP B 52 -0.041 -0.186 11.743 1.00 1.53 O ATOM 2595 CB TRP B 52 0.016 2.299 12.801 1.00 0.84 C ATOM 2596 CG TRP B 52 -1.367 2.859 12.874 1.00 0.80 C ATOM 2597 CD1 TRP B 52 -2.144 3.140 11.805 1.00 0.91 C ATOM 2598 CD2 TRP B 52 -2.148 3.212 14.053 1.00 0.75 C ATOM 2599 NE1 TRP B 52 -3.353 3.643 12.250 1.00 0.92 N ATOM 2600 CE2 TRP B 52 -3.404 3.706 13.628 1.00 0.80 C ATOM 2601 CE3 TRP B 52 -1.893 3.152 15.436 1.00 0.76 C ATOM 2602 CZ2 TRP B 52 -4.373 4.124 14.540 1.00 0.80 C ATOM 2603 CZ3 TRP B 52 -2.866 3.574 16.357 1.00 0.78 C ATOM 2604 CH2 TRP B 52 -4.104 4.058 15.910 1.00 0.77 C ATOM 0 H TRP B 52 2.186 1.665 13.933 1.00 0.78 H new ATOM 0 HA TRP B 52 -0.662 1.157 14.496 1.00 0.82 H new ATOM 0 HB2 TRP B 52 0.745 3.065 13.067 1.00 0.84 H new ATOM 0 HB3 TRP B 52 0.240 1.986 11.781 1.00 0.84 H new ATOM 0 HD1 TRP B 52 -1.866 2.995 10.771 1.00 0.91 H new ATOM 0 HE1 TRP B 52 -4.114 3.932 11.635 1.00 0.92 H new ATOM 0 HE3 TRP B 52 -0.944 2.779 15.791 1.00 0.76 H new ATOM 0 HZ2 TRP B 52 -5.325 4.496 14.190 1.00 0.80 H new ATOM 0 HZ3 TRP B 52 -2.659 3.525 17.416 1.00 0.78 H new ATOM 0 HH2 TRP B 52 -4.849 4.379 16.623 1.00 0.77 H new ATOM 2615 N SER B 53 -0.052 -1.306 13.633 1.00 0.90 N ATOM 2616 CA SER B 53 -0.179 -2.609 12.920 1.00 0.97 C ATOM 2617 C SER B 53 0.754 -2.627 11.707 1.00 0.90 C ATOM 2618 O SER B 53 0.323 -2.492 10.579 1.00 1.16 O ATOM 2619 CB SER B 53 -1.623 -2.794 12.454 1.00 1.11 C ATOM 2620 OG SER B 53 -2.349 -3.508 13.446 1.00 1.75 O ATOM 0 H SER B 53 -0.018 -1.371 14.650 1.00 0.90 H new ATOM 0 HA SER B 53 0.094 -3.419 13.596 1.00 0.97 H new ATOM 0 HB2 SER B 53 -2.087 -1.824 12.275 1.00 1.11 H new ATOM 0 HB3 SER B 53 -1.646 -3.337 11.509 1.00 1.11 H new ATOM 0 HG SER B 53 -3.276 -3.627 13.151 1.00 1.75 H new ATOM 2626 N LEU B 54 2.029 -2.796 11.928 1.00 0.73 N ATOM 2627 CA LEU B 54 2.985 -2.826 10.786 1.00 0.64 C ATOM 2628 C LEU B 54 2.895 -4.184 10.087 1.00 0.74 C ATOM 2629 O LEU B 54 2.939 -5.221 10.719 1.00 0.88 O ATOM 2630 CB LEU B 54 4.408 -2.613 11.306 1.00 0.64 C ATOM 2631 CG LEU B 54 4.483 -1.285 12.060 1.00 0.64 C ATOM 2632 CD1 LEU B 54 5.645 -1.326 13.055 1.00 0.73 C ATOM 2633 CD2 LEU B 54 4.706 -0.146 11.063 1.00 0.71 C ATOM 0 H LEU B 54 2.449 -2.915 12.850 1.00 0.73 H new ATOM 0 HA LEU B 54 2.735 -2.034 10.080 1.00 0.64 H new ATOM 0 HB2 LEU B 54 4.692 -3.434 11.965 1.00 0.64 H new ATOM 0 HB3 LEU B 54 5.114 -2.612 10.475 1.00 0.64 H new ATOM 0 HG LEU B 54 3.550 -1.120 12.599 1.00 0.64 H new ATOM 0 HD11 LEU B 54 5.698 -0.379 13.592 1.00 0.73 H new ATOM 0 HD12 LEU B 54 5.487 -2.138 13.765 1.00 0.73 H new ATOM 0 HD13 LEU B 54 6.579 -1.491 12.517 1.00 0.73 H new ATOM 0 HD21 LEU B 54 4.760 0.802 11.599 1.00 0.71 H new ATOM 0 HD22 LEU B 54 5.639 -0.311 10.524 1.00 0.71 H new ATOM 0 HD23 LEU B 54 3.878 -0.116 10.354 1.00 0.71 H new ATOM 2645 N ASP B 55 2.766 -4.188 8.789 1.00 0.73 N ATOM 2646 CA ASP B 55 2.671 -5.481 8.055 1.00 0.87 C ATOM 2647 C ASP B 55 4.077 -6.002 7.750 1.00 0.79 C ATOM 2648 O ASP B 55 4.483 -7.040 8.234 1.00 0.84 O ATOM 2649 CB ASP B 55 1.911 -5.270 6.745 1.00 1.00 C ATOM 2650 CG ASP B 55 1.493 -6.625 6.173 1.00 1.32 C ATOM 2651 OD1 ASP B 55 0.518 -7.175 6.658 1.00 1.88 O ATOM 2652 OD2 ASP B 55 2.155 -7.091 5.261 1.00 1.98 O ATOM 0 H ASP B 55 2.722 -3.353 8.205 1.00 0.73 H new ATOM 0 HA ASP B 55 2.141 -6.208 8.670 1.00 0.87 H new ATOM 0 HB2 ASP B 55 1.032 -4.650 6.918 1.00 1.00 H new ATOM 0 HB3 ASP B 55 2.539 -4.739 6.029 1.00 1.00 H new ATOM 2657 N THR B 56 4.824 -5.291 6.951 1.00 0.73 N ATOM 2658 CA THR B 56 6.202 -5.748 6.617 1.00 0.69 C ATOM 2659 C THR B 56 7.202 -5.078 7.560 1.00 0.66 C ATOM 2660 O THR B 56 6.875 -4.142 8.262 1.00 0.67 O ATOM 2661 CB THR B 56 6.530 -5.364 5.172 1.00 0.68 C ATOM 2662 OG1 THR B 56 7.051 -4.042 5.142 1.00 0.71 O ATOM 2663 CG2 THR B 56 5.261 -5.434 4.321 1.00 0.70 C ATOM 0 H THR B 56 4.540 -4.414 6.515 1.00 0.73 H new ATOM 0 HA THR B 56 6.264 -6.830 6.729 1.00 0.69 H new ATOM 0 HB THR B 56 7.270 -6.056 4.771 1.00 0.68 H new ATOM 0 HG1 THR B 56 6.457 -3.445 5.643 1.00 0.71 H new ATOM 0 HG21 THR B 56 5.497 -5.160 3.293 1.00 0.70 H new ATOM 0 HG22 THR B 56 4.863 -6.448 4.344 1.00 0.70 H new ATOM 0 HG23 THR B 56 4.518 -4.743 4.719 1.00 0.70 H new ATOM 2671 N GLN B 57 8.419 -5.548 7.583 1.00 0.67 N ATOM 2672 CA GLN B 57 9.434 -4.933 8.482 1.00 0.67 C ATOM 2673 C GLN B 57 9.734 -3.511 8.007 1.00 0.58 C ATOM 2674 O GLN B 57 9.978 -2.621 8.796 1.00 0.59 O ATOM 2675 CB GLN B 57 10.718 -5.765 8.455 1.00 0.74 C ATOM 2676 CG GLN B 57 11.590 -5.394 9.657 1.00 1.14 C ATOM 2677 CD GLN B 57 12.302 -6.645 10.176 1.00 1.62 C ATOM 2678 OE1 GLN B 57 13.163 -7.187 9.513 1.00 2.30 O ATOM 2679 NE2 GLN B 57 11.976 -7.129 11.343 1.00 2.23 N ATOM 0 H GLN B 57 8.753 -6.330 7.019 1.00 0.67 H new ATOM 0 HA GLN B 57 9.048 -4.904 9.501 1.00 0.67 H new ATOM 0 HB2 GLN B 57 10.476 -6.828 8.481 1.00 0.74 H new ATOM 0 HB3 GLN B 57 11.262 -5.585 7.528 1.00 0.74 H new ATOM 0 HG2 GLN B 57 12.322 -4.639 9.370 1.00 1.14 H new ATOM 0 HG3 GLN B 57 10.976 -4.959 10.445 1.00 1.14 H new ATOM 0 HE21 GLN B 57 11.253 -6.674 11.900 1.00 2.23 H new ATOM 0 HE22 GLN B 57 12.444 -7.963 11.698 1.00 2.23 H new ATOM 2688 N TYR B 58 9.712 -3.286 6.721 1.00 0.51 N ATOM 2689 CA TYR B 58 9.990 -1.917 6.203 1.00 0.43 C ATOM 2690 C TYR B 58 8.854 -0.981 6.635 1.00 0.40 C ATOM 2691 O TYR B 58 8.935 0.221 6.477 1.00 0.44 O ATOM 2692 CB TYR B 58 10.091 -1.961 4.668 1.00 0.40 C ATOM 2693 CG TYR B 58 9.785 -0.597 4.090 1.00 0.33 C ATOM 2694 CD1 TYR B 58 10.772 0.395 4.070 1.00 0.32 C ATOM 2695 CD2 TYR B 58 8.509 -0.326 3.583 1.00 0.33 C ATOM 2696 CE1 TYR B 58 10.481 1.658 3.543 1.00 0.31 C ATOM 2697 CE2 TYR B 58 8.219 0.937 3.059 1.00 0.30 C ATOM 2698 CZ TYR B 58 9.205 1.929 3.038 1.00 0.29 C ATOM 2699 OH TYR B 58 8.917 3.175 2.525 1.00 0.31 O ATOM 0 H TYR B 58 9.514 -3.989 6.009 1.00 0.51 H new ATOM 0 HA TYR B 58 10.933 -1.548 6.606 1.00 0.43 H new ATOM 0 HB2 TYR B 58 11.091 -2.275 4.370 1.00 0.40 H new ATOM 0 HB3 TYR B 58 9.394 -2.698 4.270 1.00 0.40 H new ATOM 0 HD1 TYR B 58 11.757 0.186 4.461 1.00 0.32 H new ATOM 0 HD2 TYR B 58 7.748 -1.093 3.597 1.00 0.33 H new ATOM 0 HE1 TYR B 58 11.242 2.424 3.526 1.00 0.31 H new ATOM 0 HE2 TYR B 58 7.234 1.147 2.670 1.00 0.30 H new ATOM 0 HH TYR B 58 7.987 3.195 2.216 1.00 0.31 H new ATOM 2709 N SER B 59 7.797 -1.522 7.176 1.00 0.48 N ATOM 2710 CA SER B 59 6.661 -0.662 7.613 1.00 0.47 C ATOM 2711 C SER B 59 7.002 0.003 8.948 1.00 0.49 C ATOM 2712 O SER B 59 6.559 1.096 9.238 1.00 0.50 O ATOM 2713 CB SER B 59 5.406 -1.520 7.776 1.00 0.53 C ATOM 2714 OG SER B 59 5.347 -2.471 6.722 1.00 1.48 O ATOM 0 H SER B 59 7.671 -2.522 7.334 1.00 0.48 H new ATOM 0 HA SER B 59 6.481 0.108 6.862 1.00 0.47 H new ATOM 0 HB2 SER B 59 5.422 -2.029 8.740 1.00 0.53 H new ATOM 0 HB3 SER B 59 4.517 -0.890 7.763 1.00 0.53 H new ATOM 0 HG SER B 59 4.496 -2.379 6.246 1.00 1.48 H new ATOM 2720 N LYS B 60 7.785 -0.647 9.766 1.00 0.56 N ATOM 2721 CA LYS B 60 8.149 -0.046 11.080 1.00 0.60 C ATOM 2722 C LYS B 60 9.376 0.851 10.906 1.00 0.57 C ATOM 2723 O LYS B 60 9.506 1.875 11.549 1.00 0.60 O ATOM 2724 CB LYS B 60 8.460 -1.161 12.085 1.00 0.72 C ATOM 2725 CG LYS B 60 9.838 -1.760 11.788 1.00 1.23 C ATOM 2726 CD LYS B 60 9.910 -3.180 12.351 1.00 1.62 C ATOM 2727 CE LYS B 60 10.291 -3.125 13.831 1.00 2.26 C ATOM 2728 NZ LYS B 60 9.075 -3.337 14.666 1.00 2.60 N ATOM 0 H LYS B 60 8.187 -1.566 9.581 1.00 0.56 H new ATOM 0 HA LYS B 60 7.316 0.550 11.452 1.00 0.60 H new ATOM 0 HB2 LYS B 60 8.437 -0.765 13.100 1.00 0.72 H new ATOM 0 HB3 LYS B 60 7.697 -1.937 12.029 1.00 0.72 H new ATOM 0 HG2 LYS B 60 10.016 -1.774 10.713 1.00 1.23 H new ATOM 0 HG3 LYS B 60 10.618 -1.142 12.232 1.00 1.23 H new ATOM 0 HD2 LYS B 60 8.948 -3.679 12.231 1.00 1.62 H new ATOM 0 HD3 LYS B 60 10.644 -3.765 11.797 1.00 1.62 H new ATOM 0 HE2 LYS B 60 11.036 -3.889 14.054 1.00 2.26 H new ATOM 0 HE3 LYS B 60 10.743 -2.161 14.066 1.00 2.26 H new ATOM 0 HZ1 LYS B 60 9.334 -3.300 15.672 1.00 2.60 H new ATOM 0 HZ2 LYS B 60 8.378 -2.593 14.460 1.00 2.60 H new ATOM 0 HZ3 LYS B 60 8.663 -4.267 14.449 1.00 2.60 H new ATOM 2742 N VAL B 61 10.278 0.476 10.041 1.00 0.57 N ATOM 2743 CA VAL B 61 11.493 1.304 9.825 1.00 0.58 C ATOM 2744 C VAL B 61 11.091 2.634 9.184 1.00 0.52 C ATOM 2745 O VAL B 61 11.277 3.685 9.758 1.00 0.62 O ATOM 2746 CB VAL B 61 12.457 0.547 8.906 1.00 0.62 C ATOM 2747 CG1 VAL B 61 13.474 1.515 8.300 1.00 0.62 C ATOM 2748 CG2 VAL B 61 13.196 -0.517 9.719 1.00 0.72 C ATOM 0 H VAL B 61 10.224 -0.370 9.474 1.00 0.57 H new ATOM 0 HA VAL B 61 11.985 1.503 10.777 1.00 0.58 H new ATOM 0 HB VAL B 61 11.890 0.076 8.103 1.00 0.62 H new ATOM 0 HG11 VAL B 61 14.155 0.967 7.648 1.00 0.62 H new ATOM 0 HG12 VAL B 61 12.951 2.276 7.721 1.00 0.62 H new ATOM 0 HG13 VAL B 61 14.042 1.993 9.098 1.00 0.62 H new ATOM 0 HG21 VAL B 61 13.884 -1.059 9.069 1.00 0.72 H new ATOM 0 HG22 VAL B 61 13.757 -0.037 10.521 1.00 0.72 H new ATOM 0 HG23 VAL B 61 12.475 -1.214 10.146 1.00 0.72 H new ATOM 2758 N LEU B 62 10.544 2.595 8.001 1.00 0.44 N ATOM 2759 CA LEU B 62 10.134 3.858 7.322 1.00 0.40 C ATOM 2760 C LEU B 62 9.158 4.630 8.215 1.00 0.44 C ATOM 2761 O LEU B 62 9.234 5.837 8.326 1.00 0.52 O ATOM 2762 CB LEU B 62 9.469 3.512 5.985 1.00 0.32 C ATOM 2763 CG LEU B 62 8.796 4.749 5.380 1.00 0.35 C ATOM 2764 CD1 LEU B 62 9.789 5.501 4.489 1.00 0.42 C ATOM 2765 CD2 LEU B 62 7.607 4.297 4.534 1.00 0.32 C ATOM 0 H LEU B 62 10.362 1.741 7.473 1.00 0.44 H new ATOM 0 HA LEU B 62 11.009 4.483 7.140 1.00 0.40 H new ATOM 0 HB2 LEU B 62 10.215 3.122 5.292 1.00 0.32 H new ATOM 0 HB3 LEU B 62 8.729 2.725 6.134 1.00 0.32 H new ATOM 0 HG LEU B 62 8.462 5.410 6.180 1.00 0.35 H new ATOM 0 HD11 LEU B 62 9.303 6.379 4.063 1.00 0.42 H new ATOM 0 HD12 LEU B 62 10.647 5.814 5.084 1.00 0.42 H new ATOM 0 HD13 LEU B 62 10.125 4.846 3.685 1.00 0.42 H new ATOM 0 HD21 LEU B 62 7.119 5.168 4.097 1.00 0.32 H new ATOM 0 HD22 LEU B 62 7.956 3.640 3.738 1.00 0.32 H new ATOM 0 HD23 LEU B 62 6.896 3.760 5.162 1.00 0.32 H new ATOM 2777 N ALA B 63 8.244 3.951 8.857 1.00 0.44 N ATOM 2778 CA ALA B 63 7.277 4.665 9.741 1.00 0.48 C ATOM 2779 C ALA B 63 8.041 5.679 10.596 1.00 0.57 C ATOM 2780 O ALA B 63 7.561 6.760 10.874 1.00 0.67 O ATOM 2781 CB ALA B 63 6.562 3.654 10.646 1.00 0.55 C ATOM 0 H ALA B 63 8.126 2.939 8.808 1.00 0.44 H new ATOM 0 HA ALA B 63 6.534 5.183 9.134 1.00 0.48 H new ATOM 0 HB1 ALA B 63 5.856 4.178 11.291 1.00 0.55 H new ATOM 0 HB2 ALA B 63 6.025 2.932 10.031 1.00 0.55 H new ATOM 0 HB3 ALA B 63 7.296 3.133 11.260 1.00 0.55 H new ATOM 2787 N LEU B 64 9.233 5.340 11.004 1.00 0.61 N ATOM 2788 CA LEU B 64 10.042 6.282 11.829 1.00 0.71 C ATOM 2789 C LEU B 64 10.886 7.156 10.902 1.00 0.72 C ATOM 2790 O LEU B 64 11.191 8.289 11.201 1.00 0.81 O ATOM 2791 CB LEU B 64 10.966 5.482 12.747 1.00 0.80 C ATOM 2792 CG LEU B 64 10.126 4.716 13.764 1.00 0.84 C ATOM 2793 CD1 LEU B 64 10.844 3.423 14.151 1.00 0.96 C ATOM 2794 CD2 LEU B 64 9.925 5.579 15.012 1.00 0.94 C ATOM 0 H LEU B 64 9.683 4.448 10.801 1.00 0.61 H new ATOM 0 HA LEU B 64 9.383 6.908 12.430 1.00 0.71 H new ATOM 0 HB2 LEU B 64 11.569 4.789 12.161 1.00 0.80 H new ATOM 0 HB3 LEU B 64 11.657 6.151 13.259 1.00 0.80 H new ATOM 0 HG LEU B 64 9.157 4.476 13.326 1.00 0.84 H new ATOM 0 HD11 LEU B 64 10.243 2.877 14.878 1.00 0.96 H new ATOM 0 HD12 LEU B 64 10.988 2.807 13.263 1.00 0.96 H new ATOM 0 HD13 LEU B 64 11.813 3.662 14.588 1.00 0.96 H new ATOM 0 HD21 LEU B 64 9.325 5.033 15.739 1.00 0.94 H new ATOM 0 HD22 LEU B 64 10.895 5.819 15.448 1.00 0.94 H new ATOM 0 HD23 LEU B 64 9.412 6.501 14.738 1.00 0.94 H new ATOM 2806 N TYR B 65 11.264 6.630 9.775 1.00 0.66 N ATOM 2807 CA TYR B 65 12.087 7.421 8.818 1.00 0.69 C ATOM 2808 C TYR B 65 11.371 8.737 8.508 1.00 0.73 C ATOM 2809 O TYR B 65 11.990 9.761 8.295 1.00 0.83 O ATOM 2810 CB TYR B 65 12.271 6.617 7.532 1.00 0.60 C ATOM 2811 CG TYR B 65 12.966 7.465 6.498 1.00 0.63 C ATOM 2812 CD1 TYR B 65 14.364 7.553 6.487 1.00 0.67 C ATOM 2813 CD2 TYR B 65 12.211 8.162 5.546 1.00 0.64 C ATOM 2814 CE1 TYR B 65 15.006 8.339 5.521 1.00 0.72 C ATOM 2815 CE2 TYR B 65 12.853 8.946 4.581 1.00 0.70 C ATOM 2816 CZ TYR B 65 14.250 9.034 4.568 1.00 0.73 C ATOM 2817 OH TYR B 65 14.883 9.808 3.617 1.00 0.80 O ATOM 0 H TYR B 65 11.039 5.682 9.472 1.00 0.66 H new ATOM 0 HA TYR B 65 13.063 7.635 9.254 1.00 0.69 H new ATOM 0 HB2 TYR B 65 12.856 5.720 7.733 1.00 0.60 H new ATOM 0 HB3 TYR B 65 11.302 6.288 7.155 1.00 0.60 H new ATOM 0 HD1 TYR B 65 14.946 7.016 7.222 1.00 0.67 H new ATOM 0 HD2 TYR B 65 11.133 8.094 5.557 1.00 0.64 H new ATOM 0 HE1 TYR B 65 16.084 8.409 5.511 1.00 0.72 H new ATOM 0 HE2 TYR B 65 12.271 9.483 3.847 1.00 0.70 H new ATOM 0 HH TYR B 65 14.213 10.221 3.033 1.00 0.80 H new ATOM 2827 N ASN B 66 10.068 8.714 8.493 1.00 0.68 N ATOM 2828 CA ASN B 66 9.293 9.954 8.211 1.00 0.76 C ATOM 2829 C ASN B 66 8.982 10.652 9.530 1.00 0.85 C ATOM 2830 O ASN B 66 9.211 11.833 9.700 1.00 0.96 O ATOM 2831 CB ASN B 66 7.979 9.573 7.542 1.00 0.70 C ATOM 2832 CG ASN B 66 7.499 10.721 6.653 1.00 0.79 C ATOM 2833 OD1 ASN B 66 7.716 10.711 5.458 1.00 1.32 O ATOM 2834 ND2 ASN B 66 6.850 11.718 7.190 1.00 1.16 N ATOM 0 H ASN B 66 9.502 7.883 8.665 1.00 0.68 H new ATOM 0 HA ASN B 66 9.869 10.613 7.562 1.00 0.76 H new ATOM 0 HB2 ASN B 66 8.112 8.670 6.946 1.00 0.70 H new ATOM 0 HB3 ASN B 66 7.227 9.348 8.298 1.00 0.70 H new ATOM 0 HD21 ASN B 66 6.525 12.489 6.606 1.00 1.16 H new ATOM 0 HD22 ASN B 66 6.668 11.726 8.194 1.00 1.16 H new ATOM 2841 N GLN B 67 8.461 9.911 10.467 1.00 0.82 N ATOM 2842 CA GLN B 67 8.123 10.491 11.797 1.00 0.92 C ATOM 2843 C GLN B 67 9.367 11.119 12.424 1.00 1.04 C ATOM 2844 O GLN B 67 9.287 11.859 13.385 1.00 1.16 O ATOM 2845 CB GLN B 67 7.607 9.374 12.704 1.00 0.87 C ATOM 2846 CG GLN B 67 6.087 9.262 12.566 1.00 0.83 C ATOM 2847 CD GLN B 67 5.413 10.112 13.645 1.00 1.43 C ATOM 2848 OE1 GLN B 67 5.837 10.118 14.784 1.00 2.17 O ATOM 2849 NE2 GLN B 67 4.373 10.835 13.334 1.00 2.06 N ATOM 0 H GLN B 67 8.253 8.918 10.367 1.00 0.82 H new ATOM 0 HA GLN B 67 7.360 11.260 11.677 1.00 0.92 H new ATOM 0 HB2 GLN B 67 8.077 8.428 12.436 1.00 0.87 H new ATOM 0 HB3 GLN B 67 7.874 9.581 13.740 1.00 0.87 H new ATOM 0 HG2 GLN B 67 5.775 9.597 11.577 1.00 0.83 H new ATOM 0 HG3 GLN B 67 5.778 8.221 12.662 1.00 0.83 H new ATOM 0 HE21 GLN B 67 4.016 10.831 12.378 1.00 2.06 H new ATOM 0 HE22 GLN B 67 3.916 11.405 14.046 1.00 2.06 H new ATOM 2858 N HIS B 68 10.514 10.830 11.887 1.00 1.02 N ATOM 2859 CA HIS B 68 11.772 11.406 12.445 1.00 1.16 C ATOM 2860 C HIS B 68 12.197 12.616 11.612 1.00 1.26 C ATOM 2861 O HIS B 68 12.656 13.612 12.135 1.00 1.41 O ATOM 2862 CB HIS B 68 12.883 10.354 12.406 1.00 1.14 C ATOM 2863 CG HIS B 68 12.896 9.574 13.692 1.00 1.15 C ATOM 2864 ND1 HIS B 68 12.146 8.422 13.871 1.00 1.06 N ATOM 2865 CD2 HIS B 68 13.579 9.762 14.866 1.00 1.26 C ATOM 2866 CE1 HIS B 68 12.396 7.964 15.110 1.00 1.13 C ATOM 2867 NE2 HIS B 68 13.263 8.744 15.761 1.00 1.25 N ATOM 0 H HIS B 68 10.639 10.217 11.081 1.00 1.02 H new ATOM 0 HA HIS B 68 11.597 11.714 13.476 1.00 1.16 H new ATOM 0 HB2 HIS B 68 12.728 9.680 11.563 1.00 1.14 H new ATOM 0 HB3 HIS B 68 13.848 10.837 12.254 1.00 1.14 H new ATOM 0 HD2 HIS B 68 14.259 10.577 15.066 1.00 1.26 H new ATOM 0 HE1 HIS B 68 11.950 7.074 15.528 1.00 1.13 H new ATOM 0 HE2 HIS B 68 13.617 8.620 16.710 1.00 1.25 H new ATOM 2875 N ASN B 69 12.053 12.535 10.318 1.00 1.20 N ATOM 2876 CA ASN B 69 12.455 13.678 9.451 1.00 1.32 C ATOM 2877 C ASN B 69 11.235 14.564 9.171 1.00 1.33 C ATOM 2878 O ASN B 69 10.322 14.150 8.483 1.00 1.23 O ATOM 2879 CB ASN B 69 13.002 13.139 8.127 1.00 1.28 C ATOM 2880 CG ASN B 69 14.325 12.414 8.378 1.00 1.37 C ATOM 2881 OD1 ASN B 69 14.490 11.757 9.387 1.00 1.77 O ATOM 2882 ND2 ASN B 69 15.283 12.506 7.496 1.00 1.71 N ATOM 0 H ASN B 69 11.674 11.727 9.824 1.00 1.20 H new ATOM 0 HA ASN B 69 13.222 14.265 9.956 1.00 1.32 H new ATOM 0 HB2 ASN B 69 12.282 12.457 7.675 1.00 1.28 H new ATOM 0 HB3 ASN B 69 13.152 13.958 7.423 1.00 1.28 H new ATOM 0 HD21 ASN B 69 16.169 12.027 7.654 1.00 1.71 H new ATOM 0 HD22 ASN B 69 15.145 13.057 6.649 1.00 1.71 H new ATOM 2889 N PRO B 70 11.253 15.760 9.707 1.00 1.50 N ATOM 2890 CA PRO B 70 10.155 16.724 9.521 1.00 1.57 C ATOM 2891 C PRO B 70 10.243 17.364 8.133 1.00 1.61 C ATOM 2892 O PRO B 70 11.079 18.208 7.880 1.00 1.76 O ATOM 2893 CB PRO B 70 10.395 17.761 10.622 1.00 1.76 C ATOM 2894 CG PRO B 70 11.891 17.657 11.000 1.00 1.83 C ATOM 2895 CD PRO B 70 12.363 16.264 10.542 1.00 1.66 C ATOM 0 HA PRO B 70 9.166 16.270 9.584 1.00 1.57 H new ATOM 0 HB2 PRO B 70 10.152 18.764 10.271 1.00 1.76 H new ATOM 0 HB3 PRO B 70 9.761 17.564 11.487 1.00 1.76 H new ATOM 0 HG2 PRO B 70 12.469 18.442 10.513 1.00 1.83 H new ATOM 0 HG3 PRO B 70 12.029 17.779 12.074 1.00 1.83 H new ATOM 0 HD2 PRO B 70 13.292 16.325 9.975 1.00 1.66 H new ATOM 0 HD3 PRO B 70 12.551 15.608 11.392 1.00 1.66 H new ATOM 2903 N GLY B 71 9.390 16.963 7.232 1.00 1.52 N ATOM 2904 CA GLY B 71 9.428 17.542 5.860 1.00 1.57 C ATOM 2905 C GLY B 71 9.678 16.427 4.844 1.00 1.45 C ATOM 2906 O GLY B 71 10.034 16.675 3.709 1.00 1.57 O ATOM 0 H GLY B 71 8.668 16.259 7.386 1.00 1.52 H new ATOM 0 HA2 GLY B 71 8.487 18.045 5.640 1.00 1.57 H new ATOM 0 HA3 GLY B 71 10.215 18.294 5.792 1.00 1.57 H new ATOM 2910 N ALA B 72 9.490 15.197 5.241 1.00 1.27 N ATOM 2911 CA ALA B 72 9.710 14.067 4.301 1.00 1.16 C ATOM 2912 C ALA B 72 8.374 13.390 4.010 1.00 1.04 C ATOM 2913 O ALA B 72 7.658 12.988 4.905 1.00 0.97 O ATOM 2914 CB ALA B 72 10.666 13.052 4.927 1.00 1.12 C ATOM 0 H ALA B 72 9.193 14.928 6.179 1.00 1.27 H new ATOM 0 HA ALA B 72 10.143 14.445 3.375 1.00 1.16 H new ATOM 0 HB1 ALA B 72 10.824 12.226 4.234 1.00 1.12 H new ATOM 0 HB2 ALA B 72 11.620 13.534 5.140 1.00 1.12 H new ATOM 0 HB3 ALA B 72 10.237 12.671 5.854 1.00 1.12 H new ATOM 2920 N SER B 73 8.033 13.265 2.762 1.00 1.06 N ATOM 2921 CA SER B 73 6.741 12.619 2.401 1.00 1.03 C ATOM 2922 C SER B 73 6.996 11.182 1.943 1.00 0.89 C ATOM 2923 O SER B 73 6.247 10.628 1.164 1.00 1.03 O ATOM 2924 CB SER B 73 6.077 13.404 1.270 1.00 1.22 C ATOM 2925 OG SER B 73 5.762 14.712 1.729 1.00 1.90 O ATOM 0 H SER B 73 8.594 13.583 1.972 1.00 1.06 H new ATOM 0 HA SER B 73 6.085 12.610 3.272 1.00 1.03 H new ATOM 0 HB2 SER B 73 6.744 13.459 0.409 1.00 1.22 H new ATOM 0 HB3 SER B 73 5.172 12.894 0.940 1.00 1.22 H new ATOM 0 HG SER B 73 5.338 15.219 1.006 1.00 1.90 H new ATOM 2931 N ALA B 74 8.047 10.571 2.419 1.00 0.77 N ATOM 2932 CA ALA B 74 8.340 9.171 2.004 1.00 0.63 C ATOM 2933 C ALA B 74 7.723 8.202 3.015 1.00 0.53 C ATOM 2934 O ALA B 74 8.093 7.047 3.089 1.00 0.63 O ATOM 2935 CB ALA B 74 9.854 8.955 1.938 1.00 0.61 C ATOM 0 H ALA B 74 8.713 10.980 3.075 1.00 0.77 H new ATOM 0 HA ALA B 74 7.912 8.989 1.018 1.00 0.63 H new ATOM 0 HB1 ALA B 74 10.062 7.929 1.634 1.00 0.61 H new ATOM 0 HB2 ALA B 74 10.289 9.644 1.213 1.00 0.61 H new ATOM 0 HB3 ALA B 74 10.291 9.138 2.920 1.00 0.61 H new ATOM 2941 N ALA B 75 6.779 8.663 3.788 1.00 0.49 N ATOM 2942 CA ALA B 75 6.126 7.773 4.788 1.00 0.41 C ATOM 2943 C ALA B 75 5.631 6.507 4.076 1.00 0.32 C ATOM 2944 O ALA B 75 5.886 6.330 2.902 1.00 0.34 O ATOM 2945 CB ALA B 75 4.946 8.518 5.415 1.00 0.48 C ATOM 0 H ALA B 75 6.431 9.621 3.770 1.00 0.49 H new ATOM 0 HA ALA B 75 6.832 7.493 5.570 1.00 0.41 H new ATOM 0 HB1 ALA B 75 4.459 7.876 6.149 1.00 0.48 H new ATOM 0 HB2 ALA B 75 5.306 9.423 5.905 1.00 0.48 H new ATOM 0 HB3 ALA B 75 4.231 8.787 4.638 1.00 0.48 H new ATOM 2951 N PRO B 76 4.942 5.655 4.798 1.00 0.28 N ATOM 2952 CA PRO B 76 4.418 4.401 4.233 1.00 0.27 C ATOM 2953 C PRO B 76 3.166 4.685 3.406 1.00 0.32 C ATOM 2954 O PRO B 76 2.921 5.804 3.002 1.00 0.36 O ATOM 2955 CB PRO B 76 4.080 3.559 5.464 1.00 0.29 C ATOM 2956 CG PRO B 76 3.885 4.555 6.628 1.00 0.33 C ATOM 2957 CD PRO B 76 4.618 5.852 6.228 1.00 0.33 C ATOM 0 HA PRO B 76 5.122 3.900 3.568 1.00 0.27 H new ATOM 0 HB2 PRO B 76 3.176 2.973 5.298 1.00 0.29 H new ATOM 0 HB3 PRO B 76 4.881 2.854 5.685 1.00 0.29 H new ATOM 0 HG2 PRO B 76 2.826 4.746 6.800 1.00 0.33 H new ATOM 0 HG3 PRO B 76 4.291 4.151 7.555 1.00 0.33 H new ATOM 0 HD2 PRO B 76 3.988 6.729 6.377 1.00 0.33 H new ATOM 0 HD3 PRO B 76 5.518 6.002 6.824 1.00 0.33 H new ATOM 2965 N CYS B 77 2.373 3.686 3.145 1.00 0.35 N ATOM 2966 CA CYS B 77 1.147 3.919 2.339 1.00 0.41 C ATOM 2967 C CYS B 77 0.014 3.012 2.821 1.00 0.42 C ATOM 2968 O CYS B 77 -0.089 1.868 2.427 1.00 0.42 O ATOM 2969 CB CYS B 77 1.446 3.628 0.869 1.00 0.45 C ATOM 2970 SG CYS B 77 1.044 5.087 -0.122 1.00 0.53 S ATOM 0 H CYS B 77 2.520 2.725 3.453 1.00 0.35 H new ATOM 0 HA CYS B 77 0.838 4.958 2.454 1.00 0.41 H new ATOM 0 HB2 CYS B 77 2.497 3.368 0.744 1.00 0.45 H new ATOM 0 HB3 CYS B 77 0.863 2.772 0.530 1.00 0.45 H new ATOM 2975 N CYS B 78 -0.847 3.519 3.662 1.00 0.42 N ATOM 2976 CA CYS B 78 -1.988 2.694 4.154 1.00 0.44 C ATOM 2977 C CYS B 78 -2.740 2.128 2.938 1.00 0.41 C ATOM 2978 O CYS B 78 -2.927 2.811 1.950 1.00 0.42 O ATOM 2979 CB CYS B 78 -2.915 3.583 4.992 1.00 0.48 C ATOM 2980 SG CYS B 78 -4.244 2.590 5.716 1.00 0.58 S ATOM 0 H CYS B 78 -0.809 4.470 4.030 1.00 0.42 H new ATOM 0 HA CYS B 78 -1.634 1.870 4.773 1.00 0.44 H new ATOM 0 HB2 CYS B 78 -2.345 4.073 5.782 1.00 0.48 H new ATOM 0 HB3 CYS B 78 -3.338 4.371 4.368 1.00 0.48 H new ATOM 2985 N VAL B 79 -3.149 0.883 2.980 1.00 0.41 N ATOM 2986 CA VAL B 79 -3.853 0.293 1.803 1.00 0.39 C ATOM 2987 C VAL B 79 -4.951 -0.684 2.259 1.00 0.39 C ATOM 2988 O VAL B 79 -4.995 -1.068 3.408 1.00 0.52 O ATOM 2989 CB VAL B 79 -2.821 -0.443 0.935 1.00 0.40 C ATOM 2990 CG1 VAL B 79 -1.508 0.331 0.953 1.00 0.41 C ATOM 2991 CG2 VAL B 79 -2.570 -1.850 1.489 1.00 0.40 C ATOM 0 H VAL B 79 -3.026 0.255 3.774 1.00 0.41 H new ATOM 0 HA VAL B 79 -4.328 1.088 1.228 1.00 0.39 H new ATOM 0 HB VAL B 79 -3.204 -0.518 -0.083 1.00 0.40 H new ATOM 0 HG11 VAL B 79 -0.772 -0.187 0.338 1.00 0.41 H new ATOM 0 HG12 VAL B 79 -1.671 1.333 0.557 1.00 0.41 H new ATOM 0 HG13 VAL B 79 -1.141 0.401 1.977 1.00 0.41 H new ATOM 0 HG21 VAL B 79 -1.837 -2.361 0.865 1.00 0.40 H new ATOM 0 HG22 VAL B 79 -2.191 -1.777 2.509 1.00 0.40 H new ATOM 0 HG23 VAL B 79 -3.503 -2.413 1.488 1.00 0.40 H new ATOM 3001 N PRO B 80 -5.800 -1.066 1.332 1.00 0.30 N ATOM 3002 CA PRO B 80 -6.906 -2.006 1.601 1.00 0.33 C ATOM 3003 C PRO B 80 -6.380 -3.442 1.676 1.00 0.48 C ATOM 3004 O PRO B 80 -6.207 -4.104 0.672 1.00 0.73 O ATOM 3005 CB PRO B 80 -7.836 -1.826 0.397 1.00 0.29 C ATOM 3006 CG PRO B 80 -6.972 -1.233 -0.738 1.00 0.30 C ATOM 3007 CD PRO B 80 -5.737 -0.599 -0.070 1.00 0.27 C ATOM 0 HA PRO B 80 -7.407 -1.816 2.550 1.00 0.33 H new ATOM 0 HB2 PRO B 80 -8.271 -2.779 0.096 1.00 0.29 H new ATOM 0 HB3 PRO B 80 -8.664 -1.161 0.642 1.00 0.29 H new ATOM 0 HG2 PRO B 80 -6.675 -2.009 -1.444 1.00 0.30 H new ATOM 0 HG3 PRO B 80 -7.533 -0.487 -1.302 1.00 0.30 H new ATOM 0 HD2 PRO B 80 -4.814 -0.919 -0.555 1.00 0.27 H new ATOM 0 HD3 PRO B 80 -5.768 0.489 -0.129 1.00 0.27 H new ATOM 3015 N GLN B 81 -6.128 -3.930 2.861 1.00 0.58 N ATOM 3016 CA GLN B 81 -5.616 -5.322 3.000 1.00 0.72 C ATOM 3017 C GLN B 81 -6.720 -6.305 2.607 1.00 0.77 C ATOM 3018 O GLN B 81 -6.639 -6.973 1.595 1.00 0.87 O ATOM 3019 CB GLN B 81 -5.200 -5.569 4.453 1.00 0.84 C ATOM 3020 CG GLN B 81 -5.018 -7.069 4.691 1.00 1.11 C ATOM 3021 CD GLN B 81 -4.145 -7.287 5.928 1.00 1.46 C ATOM 3022 OE1 GLN B 81 -3.797 -6.347 6.614 1.00 2.03 O ATOM 3023 NE2 GLN B 81 -3.774 -8.498 6.244 1.00 2.18 N ATOM 0 H GLN B 81 -6.255 -3.424 3.738 1.00 0.58 H new ATOM 0 HA GLN B 81 -4.753 -5.464 2.349 1.00 0.72 H new ATOM 0 HB2 GLN B 81 -4.271 -5.042 4.670 1.00 0.84 H new ATOM 0 HB3 GLN B 81 -5.957 -5.173 5.130 1.00 0.84 H new ATOM 0 HG2 GLN B 81 -5.988 -7.547 4.829 1.00 1.11 H new ATOM 0 HG3 GLN B 81 -4.555 -7.533 3.820 1.00 1.11 H new ATOM 0 HE21 GLN B 81 -4.066 -9.288 5.668 1.00 2.18 H new ATOM 0 HE22 GLN B 81 -3.192 -8.655 7.067 1.00 2.18 H new ATOM 3032 N ALA B 82 -7.755 -6.394 3.396 1.00 0.77 N ATOM 3033 CA ALA B 82 -8.865 -7.327 3.062 1.00 0.89 C ATOM 3034 C ALA B 82 -9.852 -6.612 2.142 1.00 0.83 C ATOM 3035 O ALA B 82 -10.134 -5.444 2.312 1.00 1.04 O ATOM 3036 CB ALA B 82 -9.578 -7.756 4.346 1.00 0.99 C ATOM 0 H ALA B 82 -7.879 -5.861 4.257 1.00 0.77 H new ATOM 0 HA ALA B 82 -8.468 -8.210 2.562 1.00 0.89 H new ATOM 0 HB1 ALA B 82 -10.391 -8.439 4.100 1.00 0.99 H new ATOM 0 HB2 ALA B 82 -8.870 -8.257 5.005 1.00 0.99 H new ATOM 0 HB3 ALA B 82 -9.982 -6.877 4.849 1.00 0.99 H new ATOM 3042 N LEU B 83 -10.377 -7.297 1.165 1.00 0.83 N ATOM 3043 CA LEU B 83 -11.338 -6.641 0.241 1.00 0.77 C ATOM 3044 C LEU B 83 -12.642 -7.425 0.212 1.00 0.86 C ATOM 3045 O LEU B 83 -12.871 -8.319 1.002 1.00 0.95 O ATOM 3046 CB LEU B 83 -10.751 -6.600 -1.170 1.00 0.77 C ATOM 3047 CG LEU B 83 -9.534 -5.684 -1.182 1.00 0.65 C ATOM 3048 CD1 LEU B 83 -8.540 -6.164 -2.241 1.00 0.73 C ATOM 3049 CD2 LEU B 83 -9.978 -4.258 -1.507 1.00 0.48 C ATOM 0 H LEU B 83 -10.182 -8.279 0.968 1.00 0.83 H new ATOM 0 HA LEU B 83 -11.528 -5.626 0.590 1.00 0.77 H new ATOM 0 HB2 LEU B 83 -10.468 -7.604 -1.488 1.00 0.77 H new ATOM 0 HB3 LEU B 83 -11.498 -6.240 -1.877 1.00 0.77 H new ATOM 0 HG LEU B 83 -9.054 -5.703 -0.203 1.00 0.65 H new ATOM 0 HD11 LEU B 83 -7.670 -5.507 -2.248 1.00 0.73 H new ATOM 0 HD12 LEU B 83 -8.225 -7.181 -2.009 1.00 0.73 H new ATOM 0 HD13 LEU B 83 -9.016 -6.146 -3.221 1.00 0.73 H new ATOM 0 HD21 LEU B 83 -9.109 -3.600 -1.516 1.00 0.48 H new ATOM 0 HD22 LEU B 83 -10.457 -4.240 -2.486 1.00 0.48 H new ATOM 0 HD23 LEU B 83 -10.685 -3.916 -0.751 1.00 0.48 H new ATOM 3061 N GLU B 84 -13.489 -7.092 -0.709 1.00 0.86 N ATOM 3062 CA GLU B 84 -14.789 -7.800 -0.833 1.00 0.96 C ATOM 3063 C GLU B 84 -15.193 -7.814 -2.305 1.00 1.01 C ATOM 3064 O GLU B 84 -14.729 -6.999 -3.077 1.00 0.95 O ATOM 3065 CB GLU B 84 -15.854 -7.068 -0.012 1.00 0.91 C ATOM 3066 CG GLU B 84 -16.055 -7.789 1.322 1.00 0.97 C ATOM 3067 CD GLU B 84 -17.550 -7.871 1.638 1.00 1.31 C ATOM 3068 OE1 GLU B 84 -18.314 -7.193 0.971 1.00 2.01 O ATOM 3069 OE2 GLU B 84 -17.905 -8.610 2.542 1.00 1.83 O ATOM 0 H GLU B 84 -13.337 -6.350 -1.392 1.00 0.86 H new ATOM 0 HA GLU B 84 -14.697 -8.820 -0.461 1.00 0.96 H new ATOM 0 HB2 GLU B 84 -15.548 -6.036 0.163 1.00 0.91 H new ATOM 0 HB3 GLU B 84 -16.793 -7.033 -0.564 1.00 0.91 H new ATOM 0 HG2 GLU B 84 -15.627 -8.790 1.274 1.00 0.97 H new ATOM 0 HG3 GLU B 84 -15.533 -7.257 2.117 1.00 0.97 H new ATOM 3076 N PRO B 85 -16.042 -8.739 -2.655 1.00 1.13 N ATOM 3077 CA PRO B 85 -16.520 -8.883 -4.036 1.00 1.20 C ATOM 3078 C PRO B 85 -17.535 -7.786 -4.369 1.00 1.15 C ATOM 3079 O PRO B 85 -17.604 -6.771 -3.704 1.00 1.06 O ATOM 3080 CB PRO B 85 -17.155 -10.274 -4.058 1.00 1.35 C ATOM 3081 CG PRO B 85 -17.495 -10.620 -2.590 1.00 1.35 C ATOM 3082 CD PRO B 85 -16.608 -9.721 -1.709 1.00 1.21 C ATOM 0 HA PRO B 85 -15.730 -8.783 -4.780 1.00 1.20 H new ATOM 0 HB2 PRO B 85 -18.052 -10.282 -4.677 1.00 1.35 H new ATOM 0 HB3 PRO B 85 -16.469 -11.008 -4.481 1.00 1.35 H new ATOM 0 HG2 PRO B 85 -18.551 -10.443 -2.385 1.00 1.35 H new ATOM 0 HG3 PRO B 85 -17.303 -11.673 -2.386 1.00 1.35 H new ATOM 0 HD2 PRO B 85 -17.188 -9.232 -0.926 1.00 1.21 H new ATOM 0 HD3 PRO B 85 -15.825 -10.295 -1.214 1.00 1.21 H new ATOM 3090 N LEU B 86 -18.305 -7.968 -5.404 1.00 1.23 N ATOM 3091 CA LEU B 86 -19.290 -6.920 -5.787 1.00 1.20 C ATOM 3092 C LEU B 86 -20.303 -7.518 -6.778 1.00 1.33 C ATOM 3093 O LEU B 86 -19.962 -7.789 -7.910 1.00 1.38 O ATOM 3094 CB LEU B 86 -18.505 -5.748 -6.419 1.00 1.13 C ATOM 3095 CG LEU B 86 -19.320 -5.009 -7.493 1.00 1.17 C ATOM 3096 CD1 LEU B 86 -20.109 -3.863 -6.866 1.00 1.17 C ATOM 3097 CD2 LEU B 86 -18.362 -4.434 -8.537 1.00 1.16 C ATOM 0 H LEU B 86 -18.295 -8.795 -6.000 1.00 1.23 H new ATOM 0 HA LEU B 86 -19.845 -6.556 -4.922 1.00 1.20 H new ATOM 0 HB2 LEU B 86 -18.216 -5.045 -5.638 1.00 1.13 H new ATOM 0 HB3 LEU B 86 -17.585 -6.128 -6.862 1.00 1.13 H new ATOM 0 HG LEU B 86 -20.014 -5.710 -7.956 1.00 1.17 H new ATOM 0 HD11 LEU B 86 -20.681 -3.349 -7.639 1.00 1.17 H new ATOM 0 HD12 LEU B 86 -20.791 -4.259 -6.113 1.00 1.17 H new ATOM 0 HD13 LEU B 86 -19.420 -3.160 -6.397 1.00 1.17 H new ATOM 0 HD21 LEU B 86 -18.932 -3.908 -9.303 1.00 1.16 H new ATOM 0 HD22 LEU B 86 -17.674 -3.739 -8.056 1.00 1.16 H new ATOM 0 HD23 LEU B 86 -17.797 -5.244 -8.998 1.00 1.16 H new ATOM 3109 N PRO B 87 -21.522 -7.694 -6.328 1.00 1.38 N ATOM 3110 CA PRO B 87 -22.602 -8.248 -7.168 1.00 1.50 C ATOM 3111 C PRO B 87 -23.072 -7.187 -8.161 1.00 1.50 C ATOM 3112 O PRO B 87 -23.694 -6.210 -7.794 1.00 1.47 O ATOM 3113 CB PRO B 87 -23.700 -8.602 -6.161 1.00 1.54 C ATOM 3114 CG PRO B 87 -23.431 -7.741 -4.905 1.00 1.43 C ATOM 3115 CD PRO B 87 -21.942 -7.351 -4.954 1.00 1.33 C ATOM 0 HA PRO B 87 -22.300 -9.111 -7.761 1.00 1.50 H new ATOM 0 HB2 PRO B 87 -24.687 -8.392 -6.572 1.00 1.54 H new ATOM 0 HB3 PRO B 87 -23.676 -9.664 -5.917 1.00 1.54 H new ATOM 0 HG2 PRO B 87 -24.065 -6.854 -4.900 1.00 1.43 H new ATOM 0 HG3 PRO B 87 -23.656 -8.299 -3.996 1.00 1.43 H new ATOM 0 HD2 PRO B 87 -21.801 -6.290 -4.748 1.00 1.33 H new ATOM 0 HD3 PRO B 87 -21.362 -7.900 -4.212 1.00 1.33 H new ATOM 3123 N ILE B 88 -22.759 -7.360 -9.414 1.00 1.56 N ATOM 3124 CA ILE B 88 -23.166 -6.348 -10.425 1.00 1.57 C ATOM 3125 C ILE B 88 -24.069 -6.974 -11.480 1.00 1.71 C ATOM 3126 O ILE B 88 -24.630 -8.035 -11.303 1.00 1.79 O ATOM 3127 CB ILE B 88 -21.916 -5.803 -11.123 1.00 1.51 C ATOM 3128 CG1 ILE B 88 -21.416 -6.822 -12.152 1.00 1.59 C ATOM 3129 CG2 ILE B 88 -20.822 -5.568 -10.092 1.00 1.39 C ATOM 3130 CD1 ILE B 88 -20.035 -6.412 -12.652 1.00 1.53 C ATOM 0 H ILE B 88 -22.240 -8.158 -9.781 1.00 1.56 H new ATOM 0 HA ILE B 88 -23.706 -5.549 -9.916 1.00 1.57 H new ATOM 0 HB ILE B 88 -22.164 -4.866 -11.622 1.00 1.51 H new ATOM 0 HG12 ILE B 88 -21.371 -7.814 -11.703 1.00 1.59 H new ATOM 0 HG13 ILE B 88 -22.113 -6.881 -12.988 1.00 1.59 H new ATOM 0 HG21 ILE B 88 -19.932 -5.180 -10.588 1.00 1.39 H new ATOM 0 HG22 ILE B 88 -21.168 -4.847 -9.352 1.00 1.39 H new ATOM 0 HG23 ILE B 88 -20.581 -6.509 -9.597 1.00 1.39 H new ATOM 0 HD11 ILE B 88 -19.682 -7.139 -13.384 1.00 1.53 H new ATOM 0 HD12 ILE B 88 -20.094 -5.428 -13.117 1.00 1.53 H new ATOM 0 HD13 ILE B 88 -19.340 -6.376 -11.813 1.00 1.53 H new ATOM 3142 N VAL B 89 -24.163 -6.309 -12.594 1.00 1.74 N ATOM 3143 CA VAL B 89 -24.979 -6.804 -13.729 1.00 1.88 C ATOM 3144 C VAL B 89 -24.570 -6.027 -14.976 1.00 1.89 C ATOM 3145 O VAL B 89 -24.834 -4.848 -15.091 1.00 1.86 O ATOM 3146 CB VAL B 89 -26.468 -6.566 -13.476 1.00 1.94 C ATOM 3147 CG1 VAL B 89 -27.275 -7.327 -14.526 1.00 2.10 C ATOM 3148 CG2 VAL B 89 -26.856 -7.055 -12.079 1.00 1.90 C ATOM 0 H VAL B 89 -23.695 -5.420 -12.768 1.00 1.74 H new ATOM 0 HA VAL B 89 -24.812 -7.874 -13.850 1.00 1.88 H new ATOM 0 HB VAL B 89 -26.678 -5.499 -13.542 1.00 1.94 H new ATOM 0 HG11 VAL B 89 -28.339 -7.164 -14.355 1.00 2.10 H new ATOM 0 HG12 VAL B 89 -27.008 -6.969 -15.520 1.00 2.10 H new ATOM 0 HG13 VAL B 89 -27.054 -8.392 -14.453 1.00 2.10 H new ATOM 0 HG21 VAL B 89 -27.919 -6.879 -11.914 1.00 1.90 H new ATOM 0 HG22 VAL B 89 -26.648 -8.122 -11.996 1.00 1.90 H new ATOM 0 HG23 VAL B 89 -26.278 -6.513 -11.330 1.00 1.90 H new ATOM 3158 N TYR B 90 -23.925 -6.664 -15.906 1.00 1.95 N ATOM 3159 CA TYR B 90 -23.503 -5.935 -17.130 1.00 1.98 C ATOM 3160 C TYR B 90 -24.118 -6.593 -18.363 1.00 2.15 C ATOM 3161 O TYR B 90 -24.955 -7.466 -18.260 1.00 2.26 O ATOM 3162 CB TYR B 90 -21.979 -5.954 -17.239 1.00 1.90 C ATOM 3163 CG TYR B 90 -21.440 -7.281 -16.763 1.00 1.92 C ATOM 3164 CD1 TYR B 90 -21.248 -7.503 -15.396 1.00 1.84 C ATOM 3165 CD2 TYR B 90 -21.125 -8.285 -17.685 1.00 2.02 C ATOM 3166 CE1 TYR B 90 -20.741 -8.728 -14.947 1.00 1.88 C ATOM 3167 CE2 TYR B 90 -20.618 -9.511 -17.238 1.00 2.05 C ATOM 3168 CZ TYR B 90 -20.425 -9.732 -15.869 1.00 1.98 C ATOM 3169 OH TYR B 90 -19.925 -10.941 -15.429 1.00 2.03 O ATOM 0 H TYR B 90 -23.672 -7.652 -15.874 1.00 1.95 H new ATOM 0 HA TYR B 90 -23.846 -4.902 -17.069 1.00 1.98 H new ATOM 0 HB2 TYR B 90 -21.679 -5.781 -18.272 1.00 1.90 H new ATOM 0 HB3 TYR B 90 -21.554 -5.146 -16.644 1.00 1.90 H new ATOM 0 HD1 TYR B 90 -21.491 -6.728 -14.685 1.00 1.84 H new ATOM 0 HD2 TYR B 90 -21.273 -8.114 -18.741 1.00 2.02 H new ATOM 0 HE1 TYR B 90 -20.594 -8.898 -13.891 1.00 1.88 H new ATOM 0 HE2 TYR B 90 -20.376 -10.287 -17.949 1.00 2.05 H new ATOM 0 HH TYR B 90 -19.760 -11.526 -16.198 1.00 2.03 H new ATOM 3179 N TYR B 91 -23.720 -6.170 -19.529 1.00 2.18 N ATOM 3180 CA TYR B 91 -24.291 -6.760 -20.766 1.00 2.35 C ATOM 3181 C TYR B 91 -23.178 -7.244 -21.691 1.00 2.40 C ATOM 3182 O TYR B 91 -22.198 -6.564 -21.919 1.00 2.34 O ATOM 3183 CB TYR B 91 -25.102 -5.697 -21.499 1.00 2.41 C ATOM 3184 CG TYR B 91 -26.544 -5.787 -21.080 1.00 2.47 C ATOM 3185 CD1 TYR B 91 -26.993 -5.055 -19.980 1.00 2.37 C ATOM 3186 CD2 TYR B 91 -27.430 -6.592 -21.801 1.00 2.64 C ATOM 3187 CE1 TYR B 91 -28.338 -5.129 -19.595 1.00 2.44 C ATOM 3188 CE2 TYR B 91 -28.773 -6.666 -21.422 1.00 2.70 C ATOM 3189 CZ TYR B 91 -29.229 -5.934 -20.318 1.00 2.60 C ATOM 3190 OH TYR B 91 -30.555 -6.005 -19.942 1.00 2.68 O ATOM 0 H TYR B 91 -23.023 -5.440 -19.677 1.00 2.18 H new ATOM 0 HA TYR B 91 -24.923 -7.604 -20.490 1.00 2.35 H new ATOM 0 HB2 TYR B 91 -24.708 -4.706 -21.275 1.00 2.41 H new ATOM 0 HB3 TYR B 91 -25.016 -5.838 -22.576 1.00 2.41 H new ATOM 0 HD1 TYR B 91 -26.305 -4.433 -19.427 1.00 2.37 H new ATOM 0 HD2 TYR B 91 -27.077 -7.157 -22.651 1.00 2.64 H new ATOM 0 HE1 TYR B 91 -28.688 -4.566 -18.742 1.00 2.44 H new ATOM 0 HE2 TYR B 91 -29.459 -7.287 -21.980 1.00 2.70 H new ATOM 0 HH TYR B 91 -31.035 -6.606 -20.549 1.00 2.68 H new ATOM 3200 N VAL B 92 -23.348 -8.404 -22.250 1.00 2.54 N ATOM 3201 CA VAL B 92 -22.336 -8.941 -23.197 1.00 2.62 C ATOM 3202 C VAL B 92 -22.989 -9.024 -24.571 1.00 2.78 C ATOM 3203 O VAL B 92 -23.650 -9.988 -24.898 1.00 2.92 O ATOM 3204 CB VAL B 92 -21.889 -10.334 -22.764 1.00 2.66 C ATOM 3205 CG1 VAL B 92 -20.443 -10.548 -23.205 1.00 2.67 C ATOM 3206 CG2 VAL B 92 -21.989 -10.457 -21.243 1.00 2.54 C ATOM 0 H VAL B 92 -24.153 -9.010 -22.091 1.00 2.54 H new ATOM 0 HA VAL B 92 -21.461 -8.291 -23.217 1.00 2.62 H new ATOM 0 HB VAL B 92 -22.529 -11.087 -23.223 1.00 2.66 H new ATOM 0 HG11 VAL B 92 -20.113 -11.541 -22.900 1.00 2.67 H new ATOM 0 HG12 VAL B 92 -20.377 -10.460 -24.289 1.00 2.67 H new ATOM 0 HG13 VAL B 92 -19.806 -9.796 -22.740 1.00 2.67 H new ATOM 0 HG21 VAL B 92 -21.669 -11.453 -20.937 1.00 2.54 H new ATOM 0 HG22 VAL B 92 -21.348 -9.710 -20.775 1.00 2.54 H new ATOM 0 HG23 VAL B 92 -23.021 -10.296 -20.932 1.00 2.54 H new ATOM 3216 N GLY B 93 -22.833 -8.008 -25.366 1.00 2.79 N ATOM 3217 CA GLY B 93 -23.476 -8.015 -26.708 1.00 2.95 C ATOM 3218 C GLY B 93 -24.977 -7.771 -26.528 1.00 3.00 C ATOM 3219 O GLY B 93 -25.457 -6.663 -26.667 1.00 2.98 O ATOM 0 H GLY B 93 -22.289 -7.173 -25.147 1.00 2.79 H new ATOM 0 HA2 GLY B 93 -23.040 -7.242 -27.341 1.00 2.95 H new ATOM 0 HA3 GLY B 93 -23.304 -8.969 -27.206 1.00 2.95 H new ATOM 3223 N ARG B 94 -25.722 -8.799 -26.218 1.00 3.06 N ATOM 3224 CA ARG B 94 -27.194 -8.628 -26.027 1.00 3.12 C ATOM 3225 C ARG B 94 -27.688 -9.479 -24.851 1.00 3.09 C ATOM 3226 O ARG B 94 -28.850 -9.441 -24.497 1.00 3.14 O ATOM 3227 CB ARG B 94 -27.909 -9.081 -27.294 1.00 3.31 C ATOM 3228 CG ARG B 94 -27.342 -8.331 -28.501 1.00 3.40 C ATOM 3229 CD ARG B 94 -28.486 -7.681 -29.281 1.00 3.85 C ATOM 3230 NE ARG B 94 -27.956 -7.102 -30.548 1.00 4.43 N ATOM 3231 CZ ARG B 94 -28.083 -5.825 -30.784 1.00 4.98 C ATOM 3232 NH1 ARG B 94 -27.700 -4.955 -29.890 1.00 5.55 N ATOM 3233 NH2 ARG B 94 -28.592 -5.418 -31.914 1.00 5.32 N ATOM 0 H ARG B 94 -25.376 -9.750 -26.089 1.00 3.06 H new ATOM 0 HA ARG B 94 -27.404 -7.579 -25.818 1.00 3.12 H new ATOM 0 HB2 ARG B 94 -27.784 -10.155 -27.429 1.00 3.31 H new ATOM 0 HB3 ARG B 94 -28.979 -8.893 -27.206 1.00 3.31 H new ATOM 0 HG2 ARG B 94 -26.635 -7.570 -28.171 1.00 3.40 H new ATOM 0 HG3 ARG B 94 -26.793 -9.018 -29.145 1.00 3.40 H new ATOM 0 HD2 ARG B 94 -29.257 -8.420 -29.500 1.00 3.85 H new ATOM 0 HD3 ARG B 94 -28.954 -6.901 -28.680 1.00 3.85 H new ATOM 0 HE ARG B 94 -27.494 -7.704 -31.230 1.00 4.43 H new ATOM 0 HH11 ARG B 94 -27.301 -5.273 -29.007 1.00 5.55 H new ATOM 0 HH12 ARG B 94 -27.799 -3.957 -30.075 1.00 5.55 H new ATOM 0 HH21 ARG B 94 -28.891 -6.098 -32.613 1.00 5.32 H new ATOM 0 HH22 ARG B 94 -28.691 -4.420 -32.098 1.00 5.32 H new ATOM 3247 N LYS B 95 -26.829 -10.251 -24.249 1.00 3.03 N ATOM 3248 CA LYS B 95 -27.268 -11.103 -23.109 1.00 3.02 C ATOM 3249 C LYS B 95 -26.786 -10.488 -21.790 1.00 2.84 C ATOM 3250 O LYS B 95 -25.602 -10.314 -21.594 1.00 2.76 O ATOM 3251 CB LYS B 95 -26.660 -12.498 -23.261 1.00 3.09 C ATOM 3252 CG LYS B 95 -27.738 -13.478 -23.728 1.00 3.45 C ATOM 3253 CD LYS B 95 -27.075 -14.728 -24.311 1.00 3.84 C ATOM 3254 CE LYS B 95 -26.996 -14.602 -25.833 1.00 4.42 C ATOM 3255 NZ LYS B 95 -28.102 -15.384 -26.454 1.00 5.02 N ATOM 0 H LYS B 95 -25.843 -10.329 -24.496 1.00 3.03 H new ATOM 0 HA LYS B 95 -28.356 -11.169 -23.104 1.00 3.02 H new ATOM 0 HB2 LYS B 95 -25.841 -12.473 -23.980 1.00 3.09 H new ATOM 0 HB3 LYS B 95 -26.240 -12.829 -22.311 1.00 3.09 H new ATOM 0 HG2 LYS B 95 -28.382 -13.751 -22.892 1.00 3.45 H new ATOM 0 HG3 LYS B 95 -28.372 -13.006 -24.479 1.00 3.45 H new ATOM 0 HD2 LYS B 95 -26.076 -14.851 -23.893 1.00 3.84 H new ATOM 0 HD3 LYS B 95 -27.646 -15.616 -24.038 1.00 3.84 H new ATOM 0 HE2 LYS B 95 -27.068 -13.555 -26.126 1.00 4.42 H new ATOM 0 HE3 LYS B 95 -26.033 -14.968 -26.189 1.00 4.42 H new ATOM 0 HZ1 LYS B 95 -28.049 -15.299 -27.489 1.00 5.02 H new ATOM 0 HZ2 LYS B 95 -28.014 -16.384 -26.184 1.00 5.02 H new ATOM 0 HZ3 LYS B 95 -29.016 -15.015 -26.123 1.00 5.02 H new ATOM 3269 N PRO B 96 -27.714 -10.184 -20.915 1.00 2.80 N ATOM 3270 CA PRO B 96 -27.393 -9.594 -19.605 1.00 2.65 C ATOM 3271 C PRO B 96 -26.849 -10.675 -18.665 1.00 2.59 C ATOM 3272 O PRO B 96 -27.339 -11.787 -18.639 1.00 2.67 O ATOM 3273 CB PRO B 96 -28.739 -9.059 -19.110 1.00 2.67 C ATOM 3274 CG PRO B 96 -29.828 -9.848 -19.873 1.00 2.85 C ATOM 3275 CD PRO B 96 -29.157 -10.404 -21.143 1.00 2.92 C ATOM 0 HA PRO B 96 -26.630 -8.817 -19.653 1.00 2.65 H new ATOM 0 HB2 PRO B 96 -28.840 -9.198 -18.034 1.00 2.67 H new ATOM 0 HB3 PRO B 96 -28.827 -7.990 -19.303 1.00 2.67 H new ATOM 0 HG2 PRO B 96 -30.224 -10.656 -19.258 1.00 2.85 H new ATOM 0 HG3 PRO B 96 -30.667 -9.202 -20.129 1.00 2.85 H new ATOM 0 HD2 PRO B 96 -29.382 -11.461 -21.282 1.00 2.92 H new ATOM 0 HD3 PRO B 96 -29.503 -9.884 -22.037 1.00 2.92 H new ATOM 3283 N LYS B 97 -25.837 -10.367 -17.898 1.00 2.47 N ATOM 3284 CA LYS B 97 -25.270 -11.393 -16.977 1.00 2.43 C ATOM 3285 C LYS B 97 -24.880 -10.748 -15.645 1.00 2.30 C ATOM 3286 O LYS B 97 -24.143 -9.782 -15.604 1.00 2.29 O ATOM 3287 CB LYS B 97 -24.027 -12.015 -17.617 1.00 2.47 C ATOM 3288 CG LYS B 97 -24.356 -12.475 -19.038 1.00 2.61 C ATOM 3289 CD LYS B 97 -23.826 -13.895 -19.251 1.00 2.77 C ATOM 3290 CE LYS B 97 -24.044 -14.308 -20.708 1.00 3.13 C ATOM 3291 NZ LYS B 97 -23.745 -15.760 -20.863 1.00 3.55 N ATOM 0 H LYS B 97 -25.381 -9.455 -17.870 1.00 2.47 H new ATOM 0 HA LYS B 97 -26.021 -12.162 -16.796 1.00 2.43 H new ATOM 0 HB2 LYS B 97 -23.215 -11.289 -17.638 1.00 2.47 H new ATOM 0 HB3 LYS B 97 -23.683 -12.860 -17.021 1.00 2.47 H new ATOM 0 HG2 LYS B 97 -25.434 -12.450 -19.199 1.00 2.61 H new ATOM 0 HG3 LYS B 97 -23.909 -11.796 -19.764 1.00 2.61 H new ATOM 0 HD2 LYS B 97 -22.765 -13.939 -19.004 1.00 2.77 H new ATOM 0 HD3 LYS B 97 -24.338 -14.589 -18.585 1.00 2.77 H new ATOM 0 HE2 LYS B 97 -25.073 -14.104 -21.005 1.00 3.13 H new ATOM 0 HE3 LYS B 97 -23.401 -13.721 -21.364 1.00 3.13 H new ATOM 0 HZ1 LYS B 97 -23.893 -16.041 -21.853 1.00 3.55 H new ATOM 0 HZ2 LYS B 97 -22.756 -15.941 -20.596 1.00 3.55 H new ATOM 0 HZ3 LYS B 97 -24.377 -16.312 -20.248 1.00 3.55 H new ATOM 3305 N VAL B 98 -25.356 -11.286 -14.555 1.00 2.21 N ATOM 3306 CA VAL B 98 -24.999 -10.718 -13.224 1.00 2.08 C ATOM 3307 C VAL B 98 -23.794 -11.478 -12.673 1.00 2.04 C ATOM 3308 O VAL B 98 -23.736 -12.690 -12.741 1.00 2.14 O ATOM 3309 CB VAL B 98 -26.175 -10.880 -12.259 1.00 2.11 C ATOM 3310 CG1 VAL B 98 -25.787 -10.327 -10.886 1.00 1.99 C ATOM 3311 CG2 VAL B 98 -27.385 -10.113 -12.795 1.00 2.15 C ATOM 0 H VAL B 98 -25.977 -12.095 -14.529 1.00 2.21 H new ATOM 0 HA VAL B 98 -24.763 -9.659 -13.330 1.00 2.08 H new ATOM 0 HB VAL B 98 -26.427 -11.936 -12.167 1.00 2.11 H new ATOM 0 HG11 VAL B 98 -26.624 -10.442 -10.198 1.00 1.99 H new ATOM 0 HG12 VAL B 98 -24.925 -10.874 -10.504 1.00 1.99 H new ATOM 0 HG13 VAL B 98 -25.535 -9.271 -10.977 1.00 1.99 H new ATOM 0 HG21 VAL B 98 -28.223 -10.229 -12.107 1.00 2.15 H new ATOM 0 HG22 VAL B 98 -27.134 -9.056 -12.887 1.00 2.15 H new ATOM 0 HG23 VAL B 98 -27.661 -10.507 -13.773 1.00 2.15 H new ATOM 3321 N GLU B 99 -22.829 -10.790 -12.131 1.00 1.91 N ATOM 3322 CA GLU B 99 -21.643 -11.503 -11.590 1.00 1.88 C ATOM 3323 C GLU B 99 -21.313 -10.979 -10.198 1.00 1.77 C ATOM 3324 O GLU B 99 -22.138 -10.398 -9.520 1.00 1.72 O ATOM 3325 CB GLU B 99 -20.445 -11.272 -12.504 1.00 1.87 C ATOM 3326 CG GLU B 99 -19.893 -12.619 -12.978 1.00 1.94 C ATOM 3327 CD GLU B 99 -18.364 -12.583 -12.950 1.00 2.45 C ATOM 3328 OE1 GLU B 99 -17.811 -11.523 -13.197 1.00 3.05 O ATOM 3329 OE2 GLU B 99 -17.772 -13.615 -12.683 1.00 2.95 O ATOM 0 H GLU B 99 -22.811 -9.774 -12.040 1.00 1.91 H new ATOM 0 HA GLU B 99 -21.866 -12.569 -11.535 1.00 1.88 H new ATOM 0 HB2 GLU B 99 -20.740 -10.667 -13.361 1.00 1.87 H new ATOM 0 HB3 GLU B 99 -19.671 -10.717 -11.973 1.00 1.87 H new ATOM 0 HG2 GLU B 99 -20.260 -13.420 -12.337 1.00 1.94 H new ATOM 0 HG3 GLU B 99 -20.244 -12.833 -13.988 1.00 1.94 H new ATOM 3336 N GLN B 100 -20.103 -11.184 -9.775 1.00 1.72 N ATOM 3337 CA GLN B 100 -19.682 -10.711 -8.433 1.00 1.61 C ATOM 3338 C GLN B 100 -18.200 -10.355 -8.486 1.00 1.53 C ATOM 3339 O GLN B 100 -17.349 -11.145 -8.127 1.00 1.56 O ATOM 3340 CB GLN B 100 -19.889 -11.827 -7.420 1.00 1.67 C ATOM 3341 CG GLN B 100 -21.329 -12.339 -7.506 1.00 1.77 C ATOM 3342 CD GLN B 100 -21.526 -13.479 -6.505 1.00 2.11 C ATOM 3343 OE1 GLN B 100 -20.600 -14.204 -6.202 1.00 2.44 O ATOM 3344 NE2 GLN B 100 -22.704 -13.669 -5.975 1.00 2.70 N ATOM 0 H GLN B 100 -19.378 -11.665 -10.308 1.00 1.72 H new ATOM 0 HA GLN B 100 -20.269 -9.840 -8.142 1.00 1.61 H new ATOM 0 HB2 GLN B 100 -19.191 -12.641 -7.613 1.00 1.67 H new ATOM 0 HB3 GLN B 100 -19.682 -11.462 -6.414 1.00 1.67 H new ATOM 0 HG2 GLN B 100 -22.027 -11.530 -7.293 1.00 1.77 H new ATOM 0 HG3 GLN B 100 -21.543 -12.687 -8.517 1.00 1.77 H new ATOM 0 HE21 GLN B 100 -23.482 -13.060 -6.229 1.00 2.70 H new ATOM 0 HE22 GLN B 100 -22.846 -14.426 -5.307 1.00 2.70 H new ATOM 3353 N LEU B 101 -17.884 -9.182 -8.944 1.00 1.45 N ATOM 3354 CA LEU B 101 -16.455 -8.784 -9.035 1.00 1.38 C ATOM 3355 C LEU B 101 -15.734 -9.187 -7.756 1.00 1.34 C ATOM 3356 O LEU B 101 -16.301 -9.198 -6.683 1.00 1.32 O ATOM 3357 CB LEU B 101 -16.345 -7.273 -9.239 1.00 1.28 C ATOM 3358 CG LEU B 101 -17.165 -6.850 -10.463 1.00 1.34 C ATOM 3359 CD1 LEU B 101 -16.667 -5.493 -10.964 1.00 1.27 C ATOM 3360 CD2 LEU B 101 -17.009 -7.889 -11.577 1.00 1.45 C ATOM 0 H LEU B 101 -18.553 -8.480 -9.260 1.00 1.45 H new ATOM 0 HA LEU B 101 -15.995 -9.288 -9.885 1.00 1.38 H new ATOM 0 HB2 LEU B 101 -16.704 -6.751 -8.352 1.00 1.28 H new ATOM 0 HB3 LEU B 101 -15.301 -6.991 -9.375 1.00 1.28 H new ATOM 0 HG LEU B 101 -18.216 -6.776 -10.183 1.00 1.34 H new ATOM 0 HD11 LEU B 101 -17.249 -5.191 -11.835 1.00 1.27 H new ATOM 0 HD12 LEU B 101 -16.781 -4.750 -10.175 1.00 1.27 H new ATOM 0 HD13 LEU B 101 -15.615 -5.571 -11.240 1.00 1.27 H new ATOM 0 HD21 LEU B 101 -17.594 -7.583 -12.444 1.00 1.45 H new ATOM 0 HD22 LEU B 101 -15.959 -7.967 -11.857 1.00 1.45 H new ATOM 0 HD23 LEU B 101 -17.363 -8.857 -11.224 1.00 1.45 H new ATOM 3372 N SER B 102 -14.490 -9.540 -7.873 1.00 1.35 N ATOM 3373 CA SER B 102 -13.715 -9.971 -6.670 1.00 1.33 C ATOM 3374 C SER B 102 -12.809 -8.837 -6.178 1.00 1.20 C ATOM 3375 O SER B 102 -12.223 -8.116 -6.959 1.00 1.21 O ATOM 3376 CB SER B 102 -12.855 -11.183 -7.030 1.00 1.43 C ATOM 3377 OG SER B 102 -13.696 -12.237 -7.482 1.00 1.84 O ATOM 0 H SER B 102 -13.969 -9.551 -8.750 1.00 1.35 H new ATOM 0 HA SER B 102 -14.416 -10.231 -5.876 1.00 1.33 H new ATOM 0 HB2 SER B 102 -12.137 -10.917 -7.806 1.00 1.43 H new ATOM 0 HB3 SER B 102 -12.281 -11.507 -6.162 1.00 1.43 H new ATOM 0 HG SER B 102 -13.148 -13.015 -7.715 1.00 1.84 H new ATOM 3383 N ASN B 103 -12.679 -8.685 -4.884 1.00 1.11 N ATOM 3384 CA ASN B 103 -11.795 -7.606 -4.346 1.00 0.99 C ATOM 3385 C ASN B 103 -12.238 -6.257 -4.901 1.00 0.90 C ATOM 3386 O ASN B 103 -11.449 -5.345 -5.051 1.00 0.84 O ATOM 3387 CB ASN B 103 -10.353 -7.873 -4.771 1.00 1.04 C ATOM 3388 CG ASN B 103 -9.781 -9.032 -3.953 1.00 1.15 C ATOM 3389 OD1 ASN B 103 -9.447 -8.869 -2.797 1.00 1.47 O ATOM 3390 ND2 ASN B 103 -9.654 -10.206 -4.510 1.00 1.68 N ATOM 0 H ASN B 103 -13.144 -9.258 -4.180 1.00 1.11 H new ATOM 0 HA ASN B 103 -11.863 -7.593 -3.258 1.00 0.99 H new ATOM 0 HB2 ASN B 103 -10.315 -8.112 -5.834 1.00 1.04 H new ATOM 0 HB3 ASN B 103 -9.749 -6.978 -4.624 1.00 1.04 H new ATOM 0 HD21 ASN B 103 -9.274 -10.986 -3.974 1.00 1.68 H new ATOM 0 HD22 ASN B 103 -9.935 -10.343 -5.481 1.00 1.68 H new ATOM 3397 N MET B 104 -13.494 -6.120 -5.200 1.00 0.90 N ATOM 3398 CA MET B 104 -13.992 -4.827 -5.738 1.00 0.84 C ATOM 3399 C MET B 104 -14.509 -3.979 -4.579 1.00 0.74 C ATOM 3400 O MET B 104 -15.302 -3.079 -4.761 1.00 0.75 O ATOM 3401 CB MET B 104 -15.127 -5.088 -6.730 1.00 0.93 C ATOM 3402 CG MET B 104 -14.923 -4.225 -7.977 1.00 1.08 C ATOM 3403 SD MET B 104 -15.666 -2.596 -7.711 1.00 1.23 S ATOM 3404 CE MET B 104 -16.151 -2.287 -9.427 1.00 0.99 C ATOM 0 H MET B 104 -14.200 -6.848 -5.095 1.00 0.90 H new ATOM 0 HA MET B 104 -13.185 -4.302 -6.250 1.00 0.84 H new ATOM 0 HB2 MET B 104 -15.149 -6.143 -7.004 1.00 0.93 H new ATOM 0 HB3 MET B 104 -16.088 -4.858 -6.269 1.00 0.93 H new ATOM 0 HG2 MET B 104 -13.859 -4.121 -8.190 1.00 1.08 H new ATOM 0 HG3 MET B 104 -15.376 -4.706 -8.844 1.00 1.08 H new ATOM 0 HE1 MET B 104 -16.081 -1.220 -9.639 1.00 0.99 H new ATOM 0 HE2 MET B 104 -15.488 -2.834 -10.097 1.00 0.99 H new ATOM 0 HE3 MET B 104 -17.177 -2.620 -9.581 1.00 0.99 H new ATOM 3414 N ILE B 105 -14.058 -4.260 -3.385 1.00 0.69 N ATOM 3415 CA ILE B 105 -14.511 -3.472 -2.205 1.00 0.60 C ATOM 3416 C ILE B 105 -13.445 -3.553 -1.112 1.00 0.53 C ATOM 3417 O ILE B 105 -12.540 -4.361 -1.175 1.00 0.60 O ATOM 3418 CB ILE B 105 -15.825 -4.047 -1.674 1.00 0.69 C ATOM 3419 CG1 ILE B 105 -16.910 -3.913 -2.744 1.00 0.76 C ATOM 3420 CG2 ILE B 105 -16.248 -3.276 -0.422 1.00 0.65 C ATOM 3421 CD1 ILE B 105 -18.244 -4.403 -2.180 1.00 0.83 C ATOM 0 H ILE B 105 -13.393 -5.005 -3.177 1.00 0.69 H new ATOM 0 HA ILE B 105 -14.665 -2.433 -2.498 1.00 0.60 H new ATOM 0 HB ILE B 105 -15.687 -5.099 -1.426 1.00 0.69 H new ATOM 0 HG12 ILE B 105 -16.997 -2.874 -3.061 1.00 0.76 H new ATOM 0 HG13 ILE B 105 -16.640 -4.494 -3.626 1.00 0.76 H new ATOM 0 HG21 ILE B 105 -17.184 -3.685 -0.042 1.00 0.65 H new ATOM 0 HG22 ILE B 105 -15.475 -3.369 0.341 1.00 0.65 H new ATOM 0 HG23 ILE B 105 -16.386 -2.224 -0.672 1.00 0.65 H new ATOM 0 HD11 ILE B 105 -19.018 -4.308 -2.942 1.00 0.83 H new ATOM 0 HD12 ILE B 105 -18.152 -5.448 -1.884 1.00 0.83 H new ATOM 0 HD13 ILE B 105 -18.514 -3.803 -1.311 1.00 0.83 H new ATOM 3433 N VAL B 106 -13.539 -2.723 -0.111 1.00 0.44 N ATOM 3434 CA VAL B 106 -12.529 -2.755 0.976 1.00 0.41 C ATOM 3435 C VAL B 106 -13.200 -3.194 2.282 1.00 0.47 C ATOM 3436 O VAL B 106 -14.371 -2.954 2.502 1.00 0.48 O ATOM 3437 CB VAL B 106 -11.931 -1.357 1.140 1.00 0.32 C ATOM 3438 CG1 VAL B 106 -11.227 -1.252 2.491 1.00 0.38 C ATOM 3439 CG2 VAL B 106 -10.919 -1.104 0.019 1.00 0.30 C ATOM 0 H VAL B 106 -14.274 -2.024 -0.001 1.00 0.44 H new ATOM 0 HA VAL B 106 -11.737 -3.462 0.729 1.00 0.41 H new ATOM 0 HB VAL B 106 -12.728 -0.615 1.090 1.00 0.32 H new ATOM 0 HG11 VAL B 106 -10.802 -0.254 2.603 1.00 0.38 H new ATOM 0 HG12 VAL B 106 -11.945 -1.433 3.291 1.00 0.38 H new ATOM 0 HG13 VAL B 106 -10.430 -1.994 2.545 1.00 0.38 H new ATOM 0 HG21 VAL B 106 -10.491 -0.108 0.133 1.00 0.30 H new ATOM 0 HG22 VAL B 106 -10.125 -1.849 0.071 1.00 0.30 H new ATOM 0 HG23 VAL B 106 -11.420 -1.175 -0.946 1.00 0.30 H new ATOM 3449 N ARG B 107 -12.464 -3.832 3.150 1.00 0.54 N ATOM 3450 CA ARG B 107 -13.051 -4.284 4.443 1.00 0.61 C ATOM 3451 C ARG B 107 -11.992 -4.165 5.541 1.00 0.63 C ATOM 3452 O ARG B 107 -12.131 -4.712 6.617 1.00 0.71 O ATOM 3453 CB ARG B 107 -13.498 -5.742 4.320 1.00 0.74 C ATOM 3454 CG ARG B 107 -14.590 -6.031 5.352 1.00 1.03 C ATOM 3455 CD ARG B 107 -14.531 -7.504 5.760 1.00 1.47 C ATOM 3456 NE ARG B 107 -14.921 -7.638 7.191 1.00 1.88 N ATOM 3457 CZ ARG B 107 -15.316 -8.793 7.654 1.00 2.26 C ATOM 3458 NH1 ARG B 107 -14.455 -9.760 7.817 1.00 2.83 N ATOM 3459 NH2 ARG B 107 -16.572 -8.980 7.955 1.00 2.79 N ATOM 0 H ARG B 107 -11.479 -4.060 3.019 1.00 0.54 H new ATOM 0 HA ARG B 107 -13.912 -3.664 4.693 1.00 0.61 H new ATOM 0 HB2 ARG B 107 -13.873 -5.935 3.315 1.00 0.74 H new ATOM 0 HB3 ARG B 107 -12.649 -6.408 4.477 1.00 0.74 H new ATOM 0 HG2 ARG B 107 -14.456 -5.395 6.227 1.00 1.03 H new ATOM 0 HG3 ARG B 107 -15.570 -5.797 4.935 1.00 1.03 H new ATOM 0 HD2 ARG B 107 -15.200 -8.093 5.133 1.00 1.47 H new ATOM 0 HD3 ARG B 107 -13.525 -7.895 5.608 1.00 1.47 H new ATOM 0 HE ARG B 107 -14.880 -6.828 7.809 1.00 1.88 H new ATOM 0 HH11 ARG B 107 -13.473 -9.614 7.583 1.00 2.83 H new ATOM 0 HH12 ARG B 107 -14.764 -10.662 8.179 1.00 2.83 H new ATOM 0 HH21 ARG B 107 -17.245 -8.224 7.828 1.00 2.79 H new ATOM 0 HH22 ARG B 107 -16.881 -9.882 8.317 1.00 2.79 H new ATOM 3473 N SER B 108 -10.933 -3.453 5.270 1.00 0.62 N ATOM 3474 CA SER B 108 -9.856 -3.291 6.284 1.00 0.66 C ATOM 3475 C SER B 108 -8.595 -2.780 5.587 1.00 0.59 C ATOM 3476 O SER B 108 -8.159 -3.329 4.595 1.00 0.61 O ATOM 3477 CB SER B 108 -9.567 -4.638 6.948 1.00 0.80 C ATOM 3478 OG SER B 108 -9.848 -5.684 6.028 1.00 1.63 O ATOM 0 H SER B 108 -10.768 -2.974 4.385 1.00 0.62 H new ATOM 0 HA SER B 108 -10.171 -2.580 7.047 1.00 0.66 H new ATOM 0 HB2 SER B 108 -8.525 -4.685 7.263 1.00 0.80 H new ATOM 0 HB3 SER B 108 -10.176 -4.753 7.844 1.00 0.80 H new ATOM 0 HG SER B 108 -10.266 -6.433 6.502 1.00 1.63 H new ATOM 3484 N CYS B 109 -8.016 -1.724 6.084 1.00 0.60 N ATOM 3485 CA CYS B 109 -6.794 -1.173 5.432 1.00 0.55 C ATOM 3486 C CYS B 109 -5.535 -1.748 6.090 1.00 0.57 C ATOM 3487 O CYS B 109 -5.589 -2.735 6.796 1.00 0.75 O ATOM 3488 CB CYS B 109 -6.798 0.349 5.555 1.00 0.57 C ATOM 3489 SG CYS B 109 -8.081 1.027 4.474 1.00 0.70 S ATOM 0 H CYS B 109 -8.334 -1.219 6.911 1.00 0.60 H new ATOM 0 HA CYS B 109 -6.793 -1.453 4.379 1.00 0.55 H new ATOM 0 HB2 CYS B 109 -6.983 0.642 6.588 1.00 0.57 H new ATOM 0 HB3 CYS B 109 -5.823 0.751 5.280 1.00 0.57 H new ATOM 3494 N LYS B 110 -4.393 -1.159 5.835 1.00 0.51 N ATOM 3495 CA LYS B 110 -3.132 -1.697 6.414 1.00 0.53 C ATOM 3496 C LYS B 110 -2.008 -0.680 6.204 1.00 0.48 C ATOM 3497 O LYS B 110 -2.234 0.508 6.172 1.00 0.57 O ATOM 3498 CB LYS B 110 -2.784 -2.983 5.665 1.00 0.59 C ATOM 3499 CG LYS B 110 -2.095 -3.976 6.593 1.00 1.50 C ATOM 3500 CD LYS B 110 -1.571 -5.153 5.767 1.00 1.84 C ATOM 3501 CE LYS B 110 -0.514 -4.656 4.778 1.00 2.85 C ATOM 3502 NZ LYS B 110 0.078 -5.818 4.057 1.00 3.51 N ATOM 0 H LYS B 110 -4.283 -0.330 5.251 1.00 0.51 H new ATOM 0 HA LYS B 110 -3.252 -1.891 7.480 1.00 0.53 H new ATOM 0 HB2 LYS B 110 -3.691 -3.429 5.256 1.00 0.59 H new ATOM 0 HB3 LYS B 110 -2.133 -2.754 4.821 1.00 0.59 H new ATOM 0 HG2 LYS B 110 -1.273 -3.491 7.119 1.00 1.50 H new ATOM 0 HG3 LYS B 110 -2.794 -4.330 7.351 1.00 1.50 H new ATOM 0 HD2 LYS B 110 -1.142 -5.909 6.424 1.00 1.84 H new ATOM 0 HD3 LYS B 110 -2.392 -5.627 5.229 1.00 1.84 H new ATOM 0 HE2 LYS B 110 -0.964 -3.964 4.066 1.00 2.85 H new ATOM 0 HE3 LYS B 110 0.265 -4.108 5.307 1.00 2.85 H new ATOM 0 HZ1 LYS B 110 1.114 -5.787 4.140 1.00 3.51 H new ATOM 0 HZ2 LYS B 110 -0.276 -6.702 4.474 1.00 3.51 H new ATOM 0 HZ3 LYS B 110 -0.190 -5.777 3.053 1.00 3.51 H new ATOM 3516 N CYS B 111 -0.800 -1.142 6.038 1.00 0.43 N ATOM 3517 CA CYS B 111 0.332 -0.202 5.804 1.00 0.40 C ATOM 3518 C CYS B 111 1.447 -0.939 5.060 1.00 0.37 C ATOM 3519 O CYS B 111 2.392 -1.419 5.654 1.00 0.36 O ATOM 3520 CB CYS B 111 0.860 0.323 7.143 1.00 0.41 C ATOM 3521 SG CYS B 111 -0.166 1.714 7.686 1.00 0.46 S ATOM 0 H CYS B 111 -0.547 -2.130 6.054 1.00 0.43 H new ATOM 0 HA CYS B 111 -0.012 0.642 5.207 1.00 0.40 H new ATOM 0 HB2 CYS B 111 0.843 -0.470 7.890 1.00 0.41 H new ATOM 0 HB3 CYS B 111 1.898 0.640 7.039 1.00 0.41 H new ATOM 3526 N SER B 112 1.344 -1.037 3.761 1.00 0.39 N ATOM 3527 CA SER B 112 2.398 -1.749 2.983 1.00 0.39 C ATOM 3528 C SER B 112 3.544 -0.784 2.675 1.00 0.36 C ATOM 3529 O SER B 112 3.264 0.310 2.215 1.00 1.08 O ATOM 3530 CB SER B 112 1.803 -2.267 1.673 1.00 0.44 C ATOM 3531 OG SER B 112 2.757 -3.093 1.019 1.00 0.83 O ATOM 3532 OXT SER B 112 4.683 -1.156 2.905 1.00 1.07 O ATOM 0 H SER B 112 0.577 -0.656 3.207 1.00 0.39 H new ATOM 0 HA SER B 112 2.776 -2.588 3.567 1.00 0.39 H new ATOM 0 HB2 SER B 112 0.892 -2.831 1.872 1.00 0.44 H new ATOM 0 HB3 SER B 112 1.527 -1.431 1.030 1.00 0.44 H new ATOM 0 HG SER B 112 2.337 -3.941 0.766 1.00 0.83 H new TER 3538 SER B 112 CONECT 98 225 CONECT 215 1211 CONECT 225 98 CONECT 713 1720 CONECT 763 1752 CONECT 1201 2970 CONECT 1211 215 CONECT 1720 713 CONECT 1752 763 CONECT 1867 1994 CONECT 1984 2980 CONECT 1994 1867 CONECT 2482 3489 CONECT 2532 3521 CONECT 2970 1201 CONECT 2980 1984 CONECT 3489 2482 CONECT 3521 2532 END