USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 973 hydrogens (0 hets) HEADER HYDROLASE 30-APR-98 1BCI TITLE C2 DOMAIN OF CYTOSOLIC PHOSPHOLIPASE A2, NMR, MINIMIZED TITLE 2 AVERAGE STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: CYTOSOLIC PHOSPHOLIPASE A2; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: C2 DOMAIN; COMPND 5 SYNONYM: CALB DOMAIN; COMPND 6 EC: 3.1.1.4; COMPND 7 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 CELL_LINE: PROPRIETARY STRAIN/GI400; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_CELL_LINE: PROPRIETARY STRAIN/GI400; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PTRCHISB(INVITROGEN) KEYWDS HYDROLASE, LIPID DEGRADATION, CYTOSOLIC PHOSPHOLIPASE A2, KEYWDS 2 CALCIUM-DEPENDENT LIPID BINDING, C2 DOMAIN, PHOSPHOCHOLINE EXPDTA SOLUTION NMR AUTHOR G.Y.XU,T.MCDONAGH,H.A.YU,E.A.NALEFSKI,J.D.CLARK,D.A.CUMMING REVDAT 4 24-FEB-09 1BCI 1 VERSN REVDAT 3 01-APR-03 1BCI 1 JRNL REVDAT 2 13-JAN-99 1BCI 3 ATOM SOURCE COMPND REMARK REVDAT 2 2 3 TITLE HETATM JRNL EXPDTA REVDAT 2 3 3 KEYWDS HEADER REVDAT 1 25-NOV-98 1BCI 0 JRNL AUTH G.Y.XU,T.MCDONAGH,H.A.YU,E.A.NALEFSKI,J.D.CLARK, JRNL AUTH 2 D.A.CUMMING JRNL TITL SOLUTION STRUCTURE AND MEMBRANE INTERACTIONS OF JRNL TITL 2 THE C2 DOMAIN OF CYTOSOLIC PHOSPHOLIPASE A2. JRNL REF J.MOL.BIOL. V. 280 485 1998 JRNL REFN ISSN 0022-2836 JRNL PMID 9665851 JRNL DOI 10.1006/JMBI.1998.1874 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: THIS AVERAGE-MINIMIZED STRUCTURE IS REMARK 3 FROM 34 ENSEMBLE STRUCTURES, WHICH ARE BASED ON 2215 REMARK 3 INTERPROTON DISTANCE RESTRAINTS DERIVED FROM NMR MEASUREMENTS REMARK 3 INCLUDING 106 HYDROGEN BOND RESTRAINTS AND 155 TORSION ANGLE REMARK 3 RESTRAINTS. THE DETAILED ENERGETIC STATISTICS AND ATOMIC RMSD' REMARK 3 S CAN BE FOUND IN THE J.MOL.BIOL CITATION. REMARK 4 REMARK 4 1BCI 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) : 308 REMARK 210 PH : 7.1 REMARK 210 IONIC STRENGTH : 0.0 REMARK 210 PRESSURE : 1 ATM REMARK 210 SAMPLE CONTENTS : 20 MM TRIS, 0.5MM CACL2 REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY, TOCSY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : UNIT+ REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : X-PLOR REMARK 210 METHOD USED : DISTANCE GEOMETRY, SIMULATED REMARK 210 ANNEALING, RESTRAINED REMARK 210 MOLECULAR DYNAMICS, ETC. REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 75 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : VIOLATION: NOES<0.3 A, REMARK 210 DIHEDRAL ANGLES<3 DEGREES REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: N15-NOESY, HNHA-J, HNHB, CBCACONNH, HNCACB, HBHACONNH, REMARK 210 HNHAHB, HCCH-TOCSY, LONG-RANGE-CCJ, CN-NOESY, ETC. 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 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 465 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 RES C SSSEQI REMARK 465 MET A 1 REMARK 465 SER A 2 REMARK 465 PHE A 3 REMARK 465 ILE A 4 REMARK 465 ASP A 5 REMARK 465 PRO A 6 REMARK 465 TYR A 7 REMARK 465 GLN A 8 REMARK 465 HIS A 9 REMARK 465 ILE A 10 REMARK 465 ILE A 11 REMARK 465 VAL A 12 REMARK 465 GLU A 13 REMARK 465 HIS A 14 REMARK 465 GLN A 15 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 25 -74.81 -80.05 REMARK 500 ALA A 27 70.50 -163.89 REMARK 500 LYS A 32 -77.00 -160.43 REMARK 500 ASP A 40 176.06 175.66 REMARK 500 THR A 41 147.70 -36.05 REMARK 500 PRO A 42 154.74 -34.00 REMARK 500 TYR A 45 125.13 -175.14 REMARK 500 THR A 52 -31.44 167.80 REMARK 500 ASP A 55 73.22 -159.37 REMARK 500 HIS A 62 -109.79 -83.40 REMARK 500 ASN A 65 86.04 45.09 REMARK 500 ASP A 66 115.96 179.45 REMARK 500 ASN A 68 49.67 -143.94 REMARK 500 PHE A 77 89.44 -150.85 REMARK 500 GLN A 83 -159.03 -81.69 REMARK 500 GLU A 84 68.30 -100.33 REMARK 500 ASN A 85 90.90 -49.44 REMARK 500 LEU A 87 92.60 -59.25 REMARK 500 THR A 90 108.55 -161.27 REMARK 500 ASN A 95 -165.57 -100.71 REMARK 500 VAL A 97 -50.52 -131.86 REMARK 500 LYS A 113 58.10 -96.57 REMARK 500 ASN A 125 -87.77 62.63 REMARK 500 GLN A 126 -38.80 -161.14 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 26 0.13 SIDE_CHAIN REMARK 500 ARG A 57 0.28 SIDE_CHAIN REMARK 500 ARG A 59 0.29 SIDE_CHAIN REMARK 500 ARG A 61 0.30 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CA A 139 CA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 THR A 41 O REMARK 620 2 ASN A 65 N 57.5 REMARK 620 3 ASN A 65 OD1 99.4 53.5 REMARK 620 4 ASP A 40 O 57.2 113.3 128.9 REMARK 620 5 ASP A 43 OD1 65.7 64.6 111.2 99.4 REMARK 620 N 1 2 3 4 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CA A 140 CA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 ALA A 94 O REMARK 620 2 ASN A 95 OD1 79.2 REMARK 620 3 ASP A 43 OD2 70.3 149.0 REMARK 620 4 ASP A 93 OD2 98.7 75.8 113.6 REMARK 620 N 1 2 3 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 139 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 140 DBREF 1BCI A 1 138 UNP P47712 PA24A_HUMAN 1 138 SEQRES 1 A 138 MET SER PHE ILE ASP PRO TYR GLN HIS ILE ILE VAL GLU SEQRES 2 A 138 HIS GLN TYR SER HIS LYS PHE THR VAL VAL VAL LEU ARG SEQRES 3 A 138 ALA THR LYS VAL THR LYS GLY ALA PHE GLY ASP MET LEU SEQRES 4 A 138 ASP THR PRO ASP PRO TYR VAL GLU LEU PHE ILE SER THR SEQRES 5 A 138 THR PRO ASP SER ARG LYS ARG THR ARG HIS PHE ASN ASN SEQRES 6 A 138 ASP ILE ASN PRO VAL TRP ASN GLU THR PHE GLU PHE ILE SEQRES 7 A 138 LEU ASP PRO ASN GLN GLU ASN VAL LEU GLU ILE THR LEU SEQRES 8 A 138 MET ASP ALA ASN TYR VAL MET ASP GLU THR LEU GLY THR SEQRES 9 A 138 ALA THR PHE THR VAL SER SER MET LYS VAL GLY GLU LYS SEQRES 10 A 138 LYS GLU VAL PRO PHE ILE PHE ASN GLN VAL THR GLU MET SEQRES 11 A 138 VAL LEU GLU MET SER LEU GLU VAL HET CA A 139 1 HET CA A 140 1 HETNAM CA CALCIUM ION FORMUL 2 CA 2(CA 2+) HELIX 1 1 PHE A 35 LEU A 39 5 5 SHEET 1 A 4 PRO A 69 LEU A 79 0 SHEET 2 A 4 HIS A 18 THR A 28 -1 O HIS A 18 O LEU A 79 SHEET 3 A 4 THR A 128 GLU A 137 -1 N GLU A 129 O THR A 28 SHEET 4 A 4 GLY A 115 PHE A 124 -1 O GLU A 116 N LEU A 136 SHEET 1 B 4 SER A 56 PHE A 63 0 SHEET 2 B 4 PRO A 44 PHE A 49 -1 O PRO A 44 O PHE A 63 SHEET 3 B 4 VAL A 86 ALA A 94 -1 N GLU A 88 O PHE A 49 SHEET 4 B 4 ASP A 99 VAL A 109 -1 N GLU A 100 O ASP A 93 LINK CA CA A 139 O THR A 41 1555 1555 2.57 LINK CA CA A 139 N ASN A 65 1555 1555 3.22 LINK CA CA A 139 OD1 ASN A 65 1555 1555 2.81 LINK CA CA A 139 O ASP A 40 1555 1555 2.73 LINK CA CA A 139 OD1 ASP A 43 1555 1555 2.56 LINK CA CA A 140 O ALA A 94 1555 1555 2.83 LINK CA CA A 140 OD1 ASN A 95 1555 1555 2.59 LINK CA CA A 140 OD2 ASP A 43 1555 1555 2.71 LINK CA CA A 140 OD2 ASP A 93 1555 1555 2.66 SITE *** AC1 5 ASP A 40 THR A 41 ASP A 43 ASN A 64 SITE *** AC1 5 ASN A 65 SITE *** AC2 4 ASP A 43 ASP A 93 ALA A 94 ASN A 95 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj : A 95 ASNHD21 : A 95 ASN OD1 : A 140 CACA :(metal ligand) USER MOD NoAdj : A 95 ASNHD22 : A 95 ASN OD1 : A 140 CACA :(metal ligand) USER MOD Set 1.1: A 112 MET CE :methyl -125:sc= -2.98! (180deg=-6.28!) USER MOD Set 1.2: A 134 MET CE :methyl 174:sc= -6.2! (180deg=-5.18!) USER MOD Set 2.1: A 92 MET CE :methyl 145:sc= -7.86! (180deg=-6.01!) USER MOD Set 2.2: A 101 THR OG1 : rot 180:sc= -1.5 USER MOD Set 3.1: A 90 THR OG1 : rot 180:sc= -1.39! USER MOD Set 3.2: A 104 THR OG1 : rot 59:sc= 0.542 USER MOD Set 4.1: A 52 THR OG1 : rot 162:sc= 0.949 USER MOD Set 4.2: A 85 ASN : amide:sc= -2.09 K(o=-1.1,f=-12!) USER MOD Set 5.1: A 64 ASN : amide:sc= -0.374 K(o=-2.6,f=-4.9!) USER MOD Set 5.2: A 65 ASN : amide:sc= -2.24! C(o=-2.6!,f=-8!) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -85:sc= 0.969 USER MOD Single : A 18 HIS : no HE2:sc= -13.7! C(o=-14!,f=-22!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot -40:sc= -2.27! USER MOD Single : A 32 LYS NZ :NH3+ 176:sc= -1.19 (180deg=-1.2) USER MOD Single : A 38 MET CE :methyl 173:sc= -1.26 (180deg=-1.63) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= -0.468 USER MOD Single : A 53 THR OG1 : rot 140:sc= -1.22 USER MOD Single : A 56 SER OG : rot 58:sc= -1.94! USER MOD Single : A 58 LYS NZ :NH3+ 144:sc= -0.238 (180deg=-1.1!) USER MOD Single : A 60 THR OG1 : rot 128:sc= 0.343 USER MOD Single : A 62 HIS : no HE2:sc= -7.61! C(o=-7.6!,f=-10!) USER MOD Single : A 68 ASN : amide:sc= -3.56! C(o=-3.6!,f=-8.7!) USER MOD Single : A 72 ASN : amide:sc= -4.83! C(o=-4.8!,f=-6.4!) USER MOD Single : A 74 THR OG1 : rot 80:sc= -5.23! USER MOD Single : A 82 ASN : amide:sc= -3.61! C(o=-3.6!,f=-5.3!) USER MOD Single : A 83 GLN : amide:sc= -0.471 K(o=-0.47,f=-3.6!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.053 USER MOD Single : A 110 SER OG : rot 180:sc= -0.0734 USER MOD Single : A 111 SER OG : rot 57:sc= 0.159 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 LYS NZ :NH3+ -136:sc= 0.189 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ -151:sc= 0.672 (180deg=0.231) USER MOD Single : A 125 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 126 GLN : amide:sc= -0.0572 K(o=-0.057,f=-0.7) USER MOD Single : A 128 THR OG1 : rot 180:sc= 0 USER MOD Single : A 130 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 16 -20.000 8.901 3.780 1.00 1.66 N ATOM 2 CA TYR A 16 -19.321 7.804 4.467 1.00 1.31 C ATOM 3 C TYR A 16 -20.325 6.758 4.929 1.00 1.07 C ATOM 4 O TYR A 16 -20.766 6.777 6.079 1.00 1.12 O ATOM 5 CB TYR A 16 -18.518 8.318 5.667 1.00 1.26 C ATOM 6 CG TYR A 16 -18.956 9.677 6.165 1.00 1.43 C ATOM 7 CD1 TYR A 16 -18.715 10.808 5.403 1.00 2.01 C ATOM 8 CD2 TYR A 16 -19.595 9.794 7.387 1.00 2.08 C ATOM 9 CE1 TYR A 16 -19.113 12.052 5.863 1.00 2.50 C ATOM 10 CE2 TYR A 16 -19.992 11.039 7.846 1.00 2.63 C ATOM 11 CZ TYR A 16 -19.749 12.161 7.082 1.00 2.61 C ATOM 12 OH TYR A 16 -20.144 13.399 7.539 1.00 3.32 O ATOM 0 HA TYR A 16 -18.631 7.346 3.758 1.00 1.31 H new ATOM 0 HB2 TYR A 16 -18.603 7.599 6.482 1.00 1.26 H new ATOM 0 HB3 TYR A 16 -17.464 8.366 5.392 1.00 1.26 H new ATOM 0 HD1 TYR A 16 -18.216 10.720 4.449 1.00 2.01 H new ATOM 0 HD2 TYR A 16 -19.784 8.914 7.983 1.00 2.08 H new ATOM 0 HE1 TYR A 16 -18.926 12.934 5.269 1.00 2.50 H new ATOM 0 HE2 TYR A 16 -20.491 11.131 8.800 1.00 2.63 H new ATOM 0 HH TYR A 16 -20.578 13.302 8.412 1.00 3.32 H new ATOM 22 N SER A 17 -20.691 5.848 4.028 1.00 0.90 N ATOM 23 CA SER A 17 -21.655 4.803 4.363 1.00 0.88 C ATOM 24 C SER A 17 -21.220 3.422 3.870 1.00 0.82 C ATOM 25 O SER A 17 -21.842 2.421 4.224 1.00 1.15 O ATOM 26 CB SER A 17 -23.014 5.146 3.774 1.00 1.15 C ATOM 27 OG SER A 17 -23.067 4.775 2.403 1.00 1.42 O ATOM 0 H SER A 17 -20.339 5.813 3.071 1.00 0.90 H new ATOM 0 HA SER A 17 -21.713 4.759 5.451 1.00 0.88 H new ATOM 0 HB2 SER A 17 -23.798 4.630 4.328 1.00 1.15 H new ATOM 0 HB3 SER A 17 -23.202 6.215 3.876 1.00 1.15 H new ATOM 0 HG SER A 17 -22.694 5.496 1.854 1.00 1.42 H new ATOM 33 N HIS A 18 -20.166 3.350 3.059 1.00 0.85 N ATOM 34 CA HIS A 18 -19.700 2.065 2.552 1.00 0.85 C ATOM 35 C HIS A 18 -18.471 1.615 3.324 1.00 0.76 C ATOM 36 O HIS A 18 -17.524 2.380 3.506 1.00 0.81 O ATOM 37 CB HIS A 18 -19.392 2.170 1.062 1.00 1.08 C ATOM 38 CG HIS A 18 -18.939 0.876 0.461 1.00 1.34 C ATOM 39 ND1 HIS A 18 -19.553 0.293 -0.618 1.00 2.10 N ATOM 40 CD2 HIS A 18 -17.916 0.041 0.774 1.00 1.70 C ATOM 41 CE1 HIS A 18 -18.950 -0.822 -0.956 1.00 2.39 C ATOM 42 NE2 HIS A 18 -17.940 -1.010 -0.123 1.00 2.10 N ATOM 0 H HIS A 18 -19.626 4.156 2.743 1.00 0.85 H new ATOM 0 HA HIS A 18 -20.485 1.322 2.690 1.00 0.85 H new ATOM 0 HB2 HIS A 18 -20.283 2.515 0.537 1.00 1.08 H new ATOM 0 HB3 HIS A 18 -18.620 2.924 0.909 1.00 1.08 H new ATOM 0 HD1 HIS A 18 -20.370 0.675 -1.094 1.00 2.10 H new ATOM 0 HD2 HIS A 18 -17.209 0.174 1.580 1.00 1.70 H new ATOM 0 HE1 HIS A 18 -19.229 -1.472 -1.772 1.00 2.39 H new ATOM 50 N LYS A 19 -18.498 0.373 3.791 1.00 0.70 N ATOM 51 CA LYS A 19 -17.392 -0.177 4.562 1.00 0.64 C ATOM 52 C LYS A 19 -16.316 -0.737 3.645 1.00 0.57 C ATOM 53 O LYS A 19 -16.547 -1.691 2.906 1.00 0.66 O ATOM 54 CB LYS A 19 -17.909 -1.260 5.499 1.00 0.70 C ATOM 55 CG LYS A 19 -18.427 -0.643 6.793 1.00 0.94 C ATOM 56 CD LYS A 19 -19.132 -1.680 7.661 1.00 1.11 C ATOM 57 CE LYS A 19 -18.459 -1.804 9.024 1.00 1.59 C ATOM 58 NZ LYS A 19 -19.275 -2.629 9.958 1.00 2.13 N ATOM 0 H LYS A 19 -19.275 -0.272 3.649 1.00 0.70 H new ATOM 0 HA LYS A 19 -16.945 0.624 5.152 1.00 0.64 H new ATOM 0 HB2 LYS A 19 -18.707 -1.821 5.012 1.00 0.70 H new ATOM 0 HB3 LYS A 19 -17.111 -1.969 5.721 1.00 0.70 H new ATOM 0 HG2 LYS A 19 -17.596 -0.206 7.348 1.00 0.94 H new ATOM 0 HG3 LYS A 19 -19.117 0.168 6.560 1.00 0.94 H new ATOM 0 HD2 LYS A 19 -20.177 -1.399 7.792 1.00 1.11 H new ATOM 0 HD3 LYS A 19 -19.123 -2.647 7.158 1.00 1.11 H new ATOM 0 HE2 LYS A 19 -17.473 -2.253 8.905 1.00 1.59 H new ATOM 0 HE3 LYS A 19 -18.308 -0.812 9.449 1.00 1.59 H new ATOM 0 HZ1 LYS A 19 -18.791 -2.695 10.876 1.00 2.13 H new ATOM 0 HZ2 LYS A 19 -20.207 -2.186 10.089 1.00 2.13 H new ATOM 0 HZ3 LYS A 19 -19.398 -3.583 9.562 1.00 2.13 H new ATOM 72 N PHE A 20 -15.138 -0.129 3.700 1.00 0.53 N ATOM 73 CA PHE A 20 -14.009 -0.551 2.879 1.00 0.49 C ATOM 74 C PHE A 20 -12.796 -0.796 3.765 1.00 0.45 C ATOM 75 O PHE A 20 -12.270 0.134 4.375 1.00 0.63 O ATOM 76 CB PHE A 20 -13.695 0.530 1.849 1.00 0.58 C ATOM 77 CG PHE A 20 -12.452 0.240 1.044 1.00 0.51 C ATOM 78 CD1 PHE A 20 -12.187 -1.049 0.611 1.00 1.30 C ATOM 79 CD2 PHE A 20 -11.573 1.266 0.736 1.00 1.27 C ATOM 80 CE1 PHE A 20 -11.045 -1.311 -0.128 1.00 1.36 C ATOM 81 CE2 PHE A 20 -10.431 1.004 -0.003 1.00 1.30 C ATOM 82 CZ PHE A 20 -10.167 -0.285 -0.435 1.00 0.70 C ATOM 0 H PHE A 20 -14.938 0.664 4.309 1.00 0.53 H new ATOM 0 HA PHE A 20 -14.262 -1.475 2.360 1.00 0.49 H new ATOM 0 HB2 PHE A 20 -14.543 0.635 1.172 1.00 0.58 H new ATOM 0 HB3 PHE A 20 -13.575 1.486 2.360 1.00 0.58 H new ATOM 0 HD1 PHE A 20 -12.871 -1.850 0.850 1.00 1.30 H new ATOM 0 HD2 PHE A 20 -11.779 2.271 1.073 1.00 1.27 H new ATOM 0 HE1 PHE A 20 -10.839 -2.316 -0.465 1.00 1.36 H new ATOM 0 HE2 PHE A 20 -9.747 1.805 -0.242 1.00 1.30 H new ATOM 0 HZ PHE A 20 -9.277 -0.490 -1.011 1.00 0.70 H new ATOM 92 N THR A 21 -12.359 -2.047 3.848 1.00 0.43 N ATOM 93 CA THR A 21 -11.217 -2.395 4.680 1.00 0.43 C ATOM 94 C THR A 21 -10.049 -2.866 3.830 1.00 0.44 C ATOM 95 O THR A 21 -10.214 -3.672 2.915 1.00 0.63 O ATOM 96 CB THR A 21 -11.611 -3.488 5.668 1.00 0.49 C ATOM 97 OG1 THR A 21 -12.897 -3.217 6.204 1.00 0.58 O ATOM 98 CG2 THR A 21 -10.587 -3.595 6.794 1.00 0.53 C ATOM 0 H THR A 21 -12.777 -2.833 3.351 1.00 0.43 H new ATOM 0 HA THR A 21 -10.907 -1.504 5.227 1.00 0.43 H new ATOM 0 HB THR A 21 -11.638 -4.439 5.137 1.00 0.49 H new ATOM 0 HG1 THR A 21 -13.144 -3.924 6.836 1.00 0.58 H new ATOM 0 HG21 THR A 21 -10.889 -4.381 7.487 1.00 0.53 H new ATOM 0 HG22 THR A 21 -9.610 -3.836 6.375 1.00 0.53 H new ATOM 0 HG23 THR A 21 -10.530 -2.645 7.326 1.00 0.53 H new ATOM 106 N VAL A 22 -8.865 -2.367 4.152 1.00 0.33 N ATOM 107 CA VAL A 22 -7.652 -2.741 3.438 1.00 0.35 C ATOM 108 C VAL A 22 -6.665 -3.352 4.415 1.00 0.41 C ATOM 109 O VAL A 22 -6.723 -3.070 5.606 1.00 0.76 O ATOM 110 CB VAL A 22 -7.039 -1.520 2.763 1.00 0.37 C ATOM 111 CG1 VAL A 22 -5.838 -1.924 1.914 1.00 0.42 C ATOM 112 CG2 VAL A 22 -8.083 -0.809 1.905 1.00 0.37 C ATOM 0 H VAL A 22 -8.718 -1.698 4.908 1.00 0.33 H new ATOM 0 HA VAL A 22 -7.897 -3.472 2.667 1.00 0.35 H new ATOM 0 HB VAL A 22 -6.697 -0.832 3.537 1.00 0.37 H new ATOM 0 HG11 VAL A 22 -5.413 -1.039 1.440 1.00 0.42 H new ATOM 0 HG12 VAL A 22 -5.085 -2.392 2.548 1.00 0.42 H new ATOM 0 HG13 VAL A 22 -6.156 -2.630 1.146 1.00 0.42 H new ATOM 0 HG21 VAL A 22 -7.631 0.061 1.429 1.00 0.37 H new ATOM 0 HG22 VAL A 22 -8.451 -1.492 1.139 1.00 0.37 H new ATOM 0 HG23 VAL A 22 -8.914 -0.488 2.534 1.00 0.37 H new ATOM 122 N VAL A 23 -5.769 -4.198 3.925 1.00 0.29 N ATOM 123 CA VAL A 23 -4.794 -4.837 4.800 1.00 0.32 C ATOM 124 C VAL A 23 -3.469 -5.054 4.092 1.00 0.32 C ATOM 125 O VAL A 23 -3.295 -6.047 3.393 1.00 0.35 O ATOM 126 CB VAL A 23 -5.325 -6.183 5.285 1.00 0.35 C ATOM 127 CG1 VAL A 23 -4.462 -6.723 6.420 1.00 0.40 C ATOM 128 CG2 VAL A 23 -6.778 -6.061 5.733 1.00 0.36 C ATOM 0 H VAL A 23 -5.696 -4.456 2.941 1.00 0.29 H new ATOM 0 HA VAL A 23 -4.631 -4.172 5.648 1.00 0.32 H new ATOM 0 HB VAL A 23 -5.280 -6.885 4.453 1.00 0.35 H new ATOM 0 HG11 VAL A 23 -4.857 -7.683 6.752 1.00 0.40 H new ATOM 0 HG12 VAL A 23 -3.439 -6.853 6.068 1.00 0.40 H new ATOM 0 HG13 VAL A 23 -4.473 -6.019 7.252 1.00 0.40 H new ATOM 0 HG21 VAL A 23 -7.136 -7.032 6.075 1.00 0.36 H new ATOM 0 HG22 VAL A 23 -6.848 -5.341 6.548 1.00 0.36 H new ATOM 0 HG23 VAL A 23 -7.389 -5.723 4.897 1.00 0.36 H new ATOM 138 N VAL A 24 -2.513 -4.154 4.296 1.00 0.32 N ATOM 139 CA VAL A 24 -1.205 -4.326 3.676 1.00 0.32 C ATOM 140 C VAL A 24 -0.573 -5.577 4.256 1.00 0.34 C ATOM 141 O VAL A 24 -0.195 -5.606 5.428 1.00 0.44 O ATOM 142 CB VAL A 24 -0.307 -3.117 3.918 1.00 0.34 C ATOM 143 CG1 VAL A 24 -0.901 -1.860 3.293 1.00 0.38 C ATOM 144 CG2 VAL A 24 -0.083 -2.909 5.405 1.00 0.40 C ATOM 0 H VAL A 24 -2.614 -3.318 4.871 1.00 0.32 H new ATOM 0 HA VAL A 24 -1.326 -4.422 2.597 1.00 0.32 H new ATOM 0 HB VAL A 24 0.654 -3.313 3.443 1.00 0.34 H new ATOM 0 HG11 VAL A 24 -0.241 -1.013 3.481 1.00 0.38 H new ATOM 0 HG12 VAL A 24 -1.009 -2.004 2.218 1.00 0.38 H new ATOM 0 HG13 VAL A 24 -1.878 -1.662 3.733 1.00 0.38 H new ATOM 0 HG21 VAL A 24 0.560 -2.042 5.558 1.00 0.40 H new ATOM 0 HG22 VAL A 24 -1.041 -2.742 5.897 1.00 0.40 H new ATOM 0 HG23 VAL A 24 0.393 -3.793 5.828 1.00 0.40 H new ATOM 154 N LEU A 25 -0.504 -6.627 3.451 1.00 0.35 N ATOM 155 CA LEU A 25 0.035 -7.893 3.916 1.00 0.38 C ATOM 156 C LEU A 25 1.558 -7.897 3.914 1.00 0.38 C ATOM 157 O LEU A 25 2.185 -7.820 4.975 1.00 0.43 O ATOM 158 CB LEU A 25 -0.502 -9.040 3.068 1.00 0.39 C ATOM 159 CG LEU A 25 -0.627 -10.314 3.899 1.00 0.45 C ATOM 160 CD1 LEU A 25 0.693 -10.643 4.590 1.00 0.48 C ATOM 161 CD2 LEU A 25 -1.743 -10.165 4.930 1.00 0.48 C ATOM 0 H LEU A 25 -0.813 -6.627 2.479 1.00 0.35 H new ATOM 0 HA LEU A 25 -0.290 -8.030 4.947 1.00 0.38 H new ATOM 0 HB2 LEU A 25 -1.475 -8.771 2.658 1.00 0.39 H new ATOM 0 HB3 LEU A 25 0.163 -9.216 2.222 1.00 0.39 H new ATOM 0 HG LEU A 25 -0.875 -11.137 3.229 1.00 0.45 H new ATOM 0 HD11 LEU A 25 0.579 -11.555 5.176 1.00 0.48 H new ATOM 0 HD12 LEU A 25 1.470 -10.789 3.840 1.00 0.48 H new ATOM 0 HD13 LEU A 25 0.974 -9.821 5.248 1.00 0.48 H new ATOM 0 HD21 LEU A 25 -1.822 -11.081 5.516 1.00 0.48 H new ATOM 0 HD22 LEU A 25 -1.518 -9.329 5.592 1.00 0.48 H new ATOM 0 HD23 LEU A 25 -2.688 -9.979 4.419 1.00 0.48 H new ATOM 173 N ARG A 26 2.166 -8.002 2.737 1.00 0.37 N ATOM 174 CA ARG A 26 3.621 -8.035 2.663 1.00 0.41 C ATOM 175 C ARG A 26 4.149 -7.259 1.467 1.00 0.34 C ATOM 176 O ARG A 26 3.390 -6.756 0.638 1.00 0.35 O ATOM 177 CB ARG A 26 4.107 -9.481 2.598 1.00 0.53 C ATOM 178 CG ARG A 26 3.373 -10.271 1.519 1.00 1.14 C ATOM 179 CD ARG A 26 3.157 -11.719 1.947 1.00 1.19 C ATOM 180 NE ARG A 26 3.450 -12.623 0.840 1.00 1.76 N ATOM 181 CZ ARG A 26 3.788 -13.892 1.045 1.00 2.07 C ATOM 182 NH1 ARG A 26 3.404 -14.512 2.152 1.00 2.56 N ATOM 183 NH2 ARG A 26 4.511 -14.542 0.143 1.00 2.55 N ATOM 0 H ARG A 26 1.686 -8.064 1.839 1.00 0.37 H new ATOM 0 HA ARG A 26 4.006 -7.556 3.563 1.00 0.41 H new ATOM 0 HB2 ARG A 26 5.178 -9.497 2.397 1.00 0.53 H new ATOM 0 HB3 ARG A 26 3.958 -9.960 3.566 1.00 0.53 H new ATOM 0 HG2 ARG A 26 2.411 -9.803 1.313 1.00 1.14 H new ATOM 0 HG3 ARG A 26 3.946 -10.244 0.592 1.00 1.14 H new ATOM 0 HD2 ARG A 26 3.798 -11.954 2.797 1.00 1.19 H new ATOM 0 HD3 ARG A 26 2.127 -11.858 2.277 1.00 1.19 H new ATOM 0 HE ARG A 26 3.394 -12.272 -0.116 1.00 1.76 H new ATOM 0 HH11 ARG A 26 2.848 -14.015 2.848 1.00 2.56 H new ATOM 0 HH12 ARG A 26 3.664 -15.486 2.308 1.00 2.56 H new ATOM 0 HH21 ARG A 26 4.809 -14.068 -0.710 1.00 2.55 H new ATOM 0 HH22 ARG A 26 4.769 -15.516 0.302 1.00 2.55 H new ATOM 197 N ALA A 27 5.471 -7.172 1.405 1.00 0.33 N ATOM 198 CA ALA A 27 6.171 -6.468 0.342 1.00 0.32 C ATOM 199 C ALA A 27 7.631 -6.902 0.358 1.00 0.33 C ATOM 200 O ALA A 27 8.513 -6.142 0.757 1.00 0.36 O ATOM 201 CB ALA A 27 6.056 -4.962 0.566 1.00 0.35 C ATOM 0 H ALA A 27 6.092 -7.592 2.097 1.00 0.33 H new ATOM 0 HA ALA A 27 5.732 -6.705 -0.627 1.00 0.32 H new ATOM 0 HB1 ALA A 27 6.581 -4.435 -0.231 1.00 0.35 H new ATOM 0 HB2 ALA A 27 5.005 -4.673 0.562 1.00 0.35 H new ATOM 0 HB3 ALA A 27 6.500 -4.702 1.527 1.00 0.35 H new ATOM 207 N THR A 28 7.871 -8.150 -0.042 1.00 0.34 N ATOM 208 CA THR A 28 9.216 -8.719 -0.036 1.00 0.37 C ATOM 209 C THR A 28 9.935 -8.494 -1.360 1.00 0.37 C ATOM 210 O THR A 28 9.429 -7.814 -2.253 1.00 0.39 O ATOM 211 CB THR A 28 9.134 -10.214 0.260 1.00 0.42 C ATOM 212 OG1 THR A 28 8.318 -10.855 -0.707 1.00 0.48 O ATOM 213 CG2 THR A 28 8.575 -10.460 1.659 1.00 0.50 C ATOM 0 H THR A 28 7.148 -8.788 -0.375 1.00 0.34 H new ATOM 0 HA THR A 28 9.790 -8.214 0.740 1.00 0.37 H new ATOM 0 HB THR A 28 10.141 -10.630 0.214 1.00 0.42 H new ATOM 0 HG1 THR A 28 8.271 -11.814 -0.512 1.00 0.48 H new ATOM 0 HG21 THR A 28 8.526 -11.532 1.848 1.00 0.50 H new ATOM 0 HG22 THR A 28 9.225 -9.991 2.398 1.00 0.50 H new ATOM 0 HG23 THR A 28 7.575 -10.032 1.732 1.00 0.50 H new ATOM 221 N LYS A 29 11.130 -9.076 -1.465 1.00 0.41 N ATOM 222 CA LYS A 29 11.964 -8.964 -2.659 1.00 0.46 C ATOM 223 C LYS A 29 11.951 -7.547 -3.210 1.00 0.45 C ATOM 224 O LYS A 29 12.080 -7.340 -4.416 1.00 0.52 O ATOM 225 CB LYS A 29 11.492 -9.939 -3.728 1.00 0.53 C ATOM 226 CG LYS A 29 12.094 -11.323 -3.508 1.00 0.75 C ATOM 227 CD LYS A 29 11.708 -12.279 -4.633 1.00 0.88 C ATOM 228 CE LYS A 29 12.797 -12.345 -5.699 1.00 1.44 C ATOM 229 NZ LYS A 29 13.371 -13.717 -5.803 1.00 1.85 N ATOM 0 H LYS A 29 11.546 -9.639 -0.723 1.00 0.41 H new ATOM 0 HA LYS A 29 12.987 -9.211 -2.375 1.00 0.46 H new ATOM 0 HB2 LYS A 29 10.404 -10.005 -3.711 1.00 0.53 H new ATOM 0 HB3 LYS A 29 11.774 -9.568 -4.714 1.00 0.53 H new ATOM 0 HG2 LYS A 29 13.180 -11.245 -3.450 1.00 0.75 H new ATOM 0 HG3 LYS A 29 11.752 -11.724 -2.554 1.00 0.75 H new ATOM 0 HD2 LYS A 29 11.535 -13.275 -4.224 1.00 0.88 H new ATOM 0 HD3 LYS A 29 10.772 -11.953 -5.086 1.00 0.88 H new ATOM 0 HE2 LYS A 29 12.384 -12.047 -6.663 1.00 1.44 H new ATOM 0 HE3 LYS A 29 13.588 -11.635 -5.458 1.00 1.44 H new ATOM 0 HZ1 LYS A 29 14.109 -13.730 -6.536 1.00 1.85 H new ATOM 0 HZ2 LYS A 29 13.786 -13.990 -4.889 1.00 1.85 H new ATOM 0 HZ3 LYS A 29 12.619 -14.390 -6.056 1.00 1.85 H new ATOM 243 N VAL A 30 11.812 -6.570 -2.323 1.00 0.44 N ATOM 244 CA VAL A 30 11.805 -5.175 -2.737 1.00 0.47 C ATOM 245 C VAL A 30 13.202 -4.799 -3.218 1.00 0.56 C ATOM 246 O VAL A 30 14.161 -4.808 -2.447 1.00 0.96 O ATOM 247 CB VAL A 30 11.344 -4.282 -1.578 1.00 0.50 C ATOM 248 CG1 VAL A 30 12.451 -4.080 -0.548 1.00 0.58 C ATOM 249 CG2 VAL A 30 10.855 -2.935 -2.103 1.00 0.53 C ATOM 0 H VAL A 30 11.703 -6.717 -1.320 1.00 0.44 H new ATOM 0 HA VAL A 30 11.102 -5.028 -3.557 1.00 0.47 H new ATOM 0 HB VAL A 30 10.517 -4.789 -1.081 1.00 0.50 H new ATOM 0 HG11 VAL A 30 12.087 -3.442 0.257 1.00 0.58 H new ATOM 0 HG12 VAL A 30 12.749 -5.046 -0.140 1.00 0.58 H new ATOM 0 HG13 VAL A 30 13.310 -3.607 -1.025 1.00 0.58 H new ATOM 0 HG21 VAL A 30 10.532 -2.314 -1.267 1.00 0.53 H new ATOM 0 HG22 VAL A 30 11.665 -2.435 -2.634 1.00 0.53 H new ATOM 0 HG23 VAL A 30 10.018 -3.092 -2.783 1.00 0.53 H new ATOM 259 N THR A 31 13.318 -4.499 -4.502 1.00 0.50 N ATOM 260 CA THR A 31 14.608 -4.156 -5.086 1.00 0.55 C ATOM 261 C THR A 31 14.883 -2.664 -4.969 1.00 0.70 C ATOM 262 O THR A 31 13.983 -1.873 -4.685 1.00 1.02 O ATOM 263 CB THR A 31 14.642 -4.585 -6.547 1.00 0.78 C ATOM 264 OG1 THR A 31 13.955 -5.818 -6.708 1.00 0.96 O ATOM 265 CG2 THR A 31 16.081 -4.725 -7.037 1.00 0.88 C ATOM 0 H THR A 31 12.538 -4.486 -5.159 1.00 0.50 H new ATOM 0 HA THR A 31 15.387 -4.685 -4.536 1.00 0.55 H new ATOM 0 HB THR A 31 14.147 -3.817 -7.142 1.00 0.78 H new ATOM 0 HG1 THR A 31 14.163 -6.409 -5.954 1.00 0.96 H new ATOM 0 HG21 THR A 31 16.081 -5.032 -8.083 1.00 0.88 H new ATOM 0 HG22 THR A 31 16.593 -3.768 -6.940 1.00 0.88 H new ATOM 0 HG23 THR A 31 16.598 -5.475 -6.439 1.00 0.88 H new ATOM 273 N LYS A 32 16.139 -2.290 -5.186 1.00 0.72 N ATOM 274 CA LYS A 32 16.556 -0.896 -5.102 1.00 0.97 C ATOM 275 C LYS A 32 17.870 -0.694 -5.845 1.00 1.20 C ATOM 276 O LYS A 32 17.893 -0.170 -6.959 1.00 1.88 O ATOM 277 CB LYS A 32 16.714 -0.494 -3.636 1.00 1.00 C ATOM 278 CG LYS A 32 17.290 0.913 -3.500 1.00 1.38 C ATOM 279 CD LYS A 32 16.703 1.633 -2.291 1.00 1.39 C ATOM 280 CE LYS A 32 15.220 1.930 -2.494 1.00 1.51 C ATOM 281 NZ LYS A 32 14.949 3.394 -2.431 1.00 2.38 N ATOM 0 H LYS A 32 16.890 -2.938 -5.423 1.00 0.72 H new ATOM 0 HA LYS A 32 15.795 -0.268 -5.565 1.00 0.97 H new ATOM 0 HB2 LYS A 32 15.745 -0.541 -3.138 1.00 1.00 H new ATOM 0 HB3 LYS A 32 17.367 -1.206 -3.131 1.00 1.00 H new ATOM 0 HG2 LYS A 32 18.374 0.857 -3.403 1.00 1.38 H new ATOM 0 HG3 LYS A 32 17.080 1.484 -4.404 1.00 1.38 H new ATOM 0 HD2 LYS A 32 16.835 1.020 -1.399 1.00 1.39 H new ATOM 0 HD3 LYS A 32 17.243 2.564 -2.121 1.00 1.39 H new ATOM 0 HE2 LYS A 32 14.897 1.539 -3.459 1.00 1.51 H new ATOM 0 HE3 LYS A 32 14.636 1.416 -1.730 1.00 1.51 H new ATOM 0 HZ1 LYS A 32 13.946 3.571 -2.639 1.00 2.38 H new ATOM 0 HZ2 LYS A 32 15.172 3.748 -1.479 1.00 2.38 H new ATOM 0 HZ3 LYS A 32 15.540 3.887 -3.131 1.00 2.38 H new ATOM 295 N GLY A 33 18.963 -1.112 -5.218 1.00 1.01 N ATOM 296 CA GLY A 33 20.289 -0.981 -5.810 1.00 1.19 C ATOM 297 C GLY A 33 21.295 -0.499 -4.773 1.00 1.46 C ATOM 298 O GLY A 33 21.144 -0.760 -3.580 1.00 1.43 O ATOM 0 H GLY A 33 18.957 -1.547 -4.295 1.00 1.01 H new ATOM 0 HA2 GLY A 33 20.608 -1.941 -6.215 1.00 1.19 H new ATOM 0 HA3 GLY A 33 20.253 -0.279 -6.643 1.00 1.19 H new ATOM 302 N ALA A 34 22.322 0.206 -5.235 1.00 1.97 N ATOM 303 CA ALA A 34 23.358 0.728 -4.349 1.00 2.49 C ATOM 304 C ALA A 34 22.942 2.078 -3.774 1.00 2.73 C ATOM 305 O ALA A 34 23.438 2.496 -2.728 1.00 2.93 O ATOM 306 CB ALA A 34 24.670 0.874 -5.115 1.00 3.12 C ATOM 0 H ALA A 34 22.460 0.430 -6.220 1.00 1.97 H new ATOM 0 HA ALA A 34 23.496 0.027 -3.526 1.00 2.49 H new ATOM 0 HB1 ALA A 34 25.439 1.264 -4.448 1.00 3.12 H new ATOM 0 HB2 ALA A 34 24.979 -0.099 -5.496 1.00 3.12 H new ATOM 0 HB3 ALA A 34 24.530 1.562 -5.949 1.00 3.12 H new ATOM 312 N PHE A 35 22.028 2.757 -4.464 1.00 2.98 N ATOM 313 CA PHE A 35 21.542 4.063 -4.025 1.00 3.49 C ATOM 314 C PHE A 35 21.147 4.020 -2.554 1.00 3.02 C ATOM 315 O PHE A 35 21.750 4.694 -1.719 1.00 3.27 O ATOM 316 CB PHE A 35 20.345 4.479 -4.873 1.00 4.01 C ATOM 317 CG PHE A 35 20.744 5.020 -6.224 1.00 4.53 C ATOM 318 CD1 PHE A 35 21.186 6.327 -6.344 1.00 4.93 C ATOM 319 CD2 PHE A 35 20.670 4.209 -7.346 1.00 5.00 C ATOM 320 CE1 PHE A 35 21.554 6.823 -7.584 1.00 5.58 C ATOM 321 CE2 PHE A 35 21.038 4.706 -8.586 1.00 5.62 C ATOM 322 CZ PHE A 35 21.480 6.013 -8.705 1.00 5.83 C ATOM 0 H PHE A 35 21.608 2.423 -5.332 1.00 2.98 H new ATOM 0 HA PHE A 35 22.342 4.793 -4.147 1.00 3.49 H new ATOM 0 HB2 PHE A 35 19.687 3.621 -5.010 1.00 4.01 H new ATOM 0 HB3 PHE A 35 19.773 5.237 -4.338 1.00 4.01 H new ATOM 0 HD1 PHE A 35 21.244 6.960 -5.471 1.00 4.93 H new ATOM 0 HD2 PHE A 35 20.325 3.190 -7.254 1.00 5.00 H new ATOM 0 HE1 PHE A 35 21.899 7.842 -7.677 1.00 5.58 H new ATOM 0 HE2 PHE A 35 20.980 4.074 -9.460 1.00 5.62 H new ATOM 0 HZ PHE A 35 21.767 6.400 -9.671 1.00 5.83 H new ATOM 332 N GLY A 36 20.131 3.222 -2.242 1.00 2.41 N ATOM 333 CA GLY A 36 19.653 3.087 -0.868 1.00 2.06 C ATOM 334 C GLY A 36 20.657 2.322 -0.012 1.00 1.50 C ATOM 335 O GLY A 36 20.639 2.420 1.215 1.00 1.34 O ATOM 0 H GLY A 36 19.621 2.658 -2.922 1.00 2.41 H new ATOM 0 HA2 GLY A 36 19.483 4.075 -0.440 1.00 2.06 H new ATOM 0 HA3 GLY A 36 18.695 2.568 -0.862 1.00 2.06 H new ATOM 339 N ASP A 37 21.532 1.558 -0.663 1.00 1.58 N ATOM 340 CA ASP A 37 22.542 0.774 0.044 1.00 1.50 C ATOM 341 C ASP A 37 23.632 1.674 0.628 1.00 1.90 C ATOM 342 O ASP A 37 24.500 1.204 1.363 1.00 2.15 O ATOM 343 CB ASP A 37 23.157 -0.250 -0.906 1.00 1.83 C ATOM 344 CG ASP A 37 23.757 -1.411 -0.123 1.00 1.96 C ATOM 345 OD1 ASP A 37 24.523 -1.156 0.829 1.00 2.30 O ATOM 346 OD2 ASP A 37 23.461 -2.575 -0.464 1.00 2.54 O ATOM 0 H ASP A 37 21.562 1.465 -1.678 1.00 1.58 H new ATOM 0 HA ASP A 37 22.057 0.255 0.871 1.00 1.50 H new ATOM 0 HB2 ASP A 37 22.396 -0.621 -1.592 1.00 1.83 H new ATOM 0 HB3 ASP A 37 23.928 0.225 -1.512 1.00 1.83 H new ATOM 351 N MET A 38 23.586 2.970 0.309 1.00 2.15 N ATOM 352 CA MET A 38 24.574 3.922 0.817 1.00 2.57 C ATOM 353 C MET A 38 24.754 3.749 2.321 1.00 2.00 C ATOM 354 O MET A 38 25.877 3.731 2.824 1.00 2.34 O ATOM 355 CB MET A 38 24.127 5.347 0.509 1.00 3.17 C ATOM 356 CG MET A 38 25.097 6.037 -0.446 1.00 3.95 C ATOM 357 SD MET A 38 24.245 7.031 -1.682 1.00 4.39 S ATOM 358 CE MET A 38 24.368 5.959 -3.122 1.00 4.85 C ATOM 0 H MET A 38 22.877 3.382 -0.297 1.00 2.15 H new ATOM 0 HA MET A 38 25.528 3.731 0.326 1.00 2.57 H new ATOM 0 HB2 MET A 38 23.130 5.331 0.069 1.00 3.17 H new ATOM 0 HB3 MET A 38 24.058 5.917 1.435 1.00 3.17 H new ATOM 0 HG2 MET A 38 25.775 6.672 0.124 1.00 3.95 H new ATOM 0 HG3 MET A 38 25.709 5.286 -0.945 1.00 3.95 H new ATOM 0 HE1 MET A 38 23.780 6.378 -3.939 1.00 4.85 H new ATOM 0 HE2 MET A 38 25.411 5.881 -3.429 1.00 4.85 H new ATOM 0 HE3 MET A 38 23.988 4.968 -2.872 1.00 4.85 H new ATOM 368 N LEU A 39 23.640 3.608 3.031 1.00 1.38 N ATOM 369 CA LEU A 39 23.668 3.419 4.476 1.00 1.28 C ATOM 370 C LEU A 39 23.578 1.937 4.776 1.00 1.81 C ATOM 371 O LEU A 39 24.271 1.418 5.650 1.00 2.60 O ATOM 372 CB LEU A 39 22.496 4.150 5.130 1.00 1.53 C ATOM 373 CG LEU A 39 22.184 5.454 4.407 1.00 2.11 C ATOM 374 CD1 LEU A 39 20.932 6.110 4.982 1.00 2.95 C ATOM 375 CD2 LEU A 39 23.374 6.404 4.492 1.00 2.36 C ATOM 0 H LEU A 39 22.703 3.621 2.627 1.00 1.38 H new ATOM 0 HA LEU A 39 24.596 3.826 4.877 1.00 1.28 H new ATOM 0 HB2 LEU A 39 21.615 3.508 5.123 1.00 1.53 H new ATOM 0 HB3 LEU A 39 22.731 4.358 6.174 1.00 1.53 H new ATOM 0 HG LEU A 39 21.994 5.226 3.358 1.00 2.11 H new ATOM 0 HD11 LEU A 39 20.731 7.039 4.449 1.00 2.95 H new ATOM 0 HD12 LEU A 39 20.083 5.436 4.869 1.00 2.95 H new ATOM 0 HD13 LEU A 39 21.087 6.325 6.039 1.00 2.95 H new ATOM 0 HD21 LEU A 39 23.137 7.332 3.971 1.00 2.36 H new ATOM 0 HD22 LEU A 39 23.593 6.621 5.538 1.00 2.36 H new ATOM 0 HD23 LEU A 39 24.244 5.940 4.028 1.00 2.36 H new ATOM 387 N ASP A 40 22.718 1.268 4.020 1.00 1.89 N ATOM 388 CA ASP A 40 22.507 -0.162 4.156 1.00 2.83 C ATOM 389 C ASP A 40 21.388 -0.599 3.224 1.00 2.45 C ATOM 390 O ASP A 40 20.763 0.231 2.564 1.00 3.19 O ATOM 391 CB ASP A 40 22.149 -0.517 5.598 1.00 3.82 C ATOM 392 CG ASP A 40 22.640 -1.920 5.936 1.00 4.98 C ATOM 393 OD1 ASP A 40 23.495 -2.446 5.194 1.00 5.56 O ATOM 394 OD2 ASP A 40 22.166 -2.491 6.941 1.00 5.57 O ATOM 0 H ASP A 40 22.148 1.704 3.295 1.00 1.89 H new ATOM 0 HA ASP A 40 23.428 -0.681 3.891 1.00 2.83 H new ATOM 0 HB2 ASP A 40 22.597 0.206 6.279 1.00 3.82 H new ATOM 0 HB3 ASP A 40 21.069 -0.459 5.736 1.00 3.82 H new ATOM 399 N THR A 41 21.139 -1.906 3.183 1.00 1.62 N ATOM 400 CA THR A 41 20.088 -2.491 2.342 1.00 1.23 C ATOM 401 C THR A 41 18.865 -1.571 2.271 1.00 0.93 C ATOM 402 O THR A 41 18.565 -0.858 3.226 1.00 1.05 O ATOM 403 CB THR A 41 19.702 -3.854 2.930 1.00 1.41 C ATOM 404 OG1 THR A 41 20.798 -4.752 2.825 1.00 2.11 O ATOM 405 CG2 THR A 41 18.479 -4.455 2.238 1.00 1.68 C ATOM 0 H THR A 41 21.658 -2.592 3.730 1.00 1.62 H new ATOM 0 HA THR A 41 20.461 -2.614 1.325 1.00 1.23 H new ATOM 0 HB THR A 41 19.445 -3.697 3.978 1.00 1.41 H new ATOM 0 HG1 THR A 41 20.547 -5.620 3.203 1.00 2.11 H new ATOM 0 HG21 THR A 41 18.244 -5.419 2.688 1.00 1.68 H new ATOM 0 HG22 THR A 41 17.629 -3.783 2.354 1.00 1.68 H new ATOM 0 HG23 THR A 41 18.691 -4.592 1.178 1.00 1.68 H new ATOM 413 N PRO A 42 18.151 -1.572 1.127 1.00 0.69 N ATOM 414 CA PRO A 42 16.956 -0.743 0.917 1.00 0.70 C ATOM 415 C PRO A 42 16.142 -0.557 2.195 1.00 0.64 C ATOM 416 O PRO A 42 16.203 -1.381 3.108 1.00 0.75 O ATOM 417 CB PRO A 42 16.155 -1.521 -0.129 1.00 0.85 C ATOM 418 CG PRO A 42 17.070 -2.589 -0.668 1.00 0.81 C ATOM 419 CD PRO A 42 18.436 -2.368 -0.066 1.00 0.69 C ATOM 0 HA PRO A 42 17.215 0.268 0.602 1.00 0.70 H new ATOM 0 HB2 PRO A 42 15.264 -1.963 0.316 1.00 0.85 H new ATOM 0 HB3 PRO A 42 15.818 -0.861 -0.928 1.00 0.85 H new ATOM 0 HG2 PRO A 42 16.695 -3.580 -0.412 1.00 0.81 H new ATOM 0 HG3 PRO A 42 17.118 -2.538 -1.756 1.00 0.81 H new ATOM 0 HD2 PRO A 42 18.922 -3.310 0.186 1.00 0.69 H new ATOM 0 HD3 PRO A 42 19.098 -1.841 -0.753 1.00 0.69 H new ATOM 427 N ASP A 43 15.389 0.535 2.255 1.00 0.54 N ATOM 428 CA ASP A 43 14.568 0.836 3.423 1.00 0.53 C ATOM 429 C ASP A 43 13.090 0.753 3.072 1.00 0.51 C ATOM 430 O ASP A 43 12.547 1.665 2.469 1.00 0.72 O ATOM 431 CB ASP A 43 14.890 2.236 3.938 1.00 0.60 C ATOM 432 CG ASP A 43 16.384 2.378 4.189 1.00 0.71 C ATOM 433 OD1 ASP A 43 17.135 1.439 3.854 1.00 1.02 O ATOM 434 OD2 ASP A 43 16.801 3.429 4.719 1.00 1.14 O ATOM 0 H ASP A 43 15.330 1.227 1.508 1.00 0.54 H new ATOM 0 HA ASP A 43 14.789 0.102 4.198 1.00 0.53 H new ATOM 0 HB2 ASP A 43 14.564 2.981 3.212 1.00 0.60 H new ATOM 0 HB3 ASP A 43 14.340 2.427 4.860 1.00 0.60 H new ATOM 439 N PRO A 44 12.418 -0.343 3.446 1.00 0.49 N ATOM 440 CA PRO A 44 10.984 -0.534 3.156 1.00 0.52 C ATOM 441 C PRO A 44 10.084 0.401 3.962 1.00 0.48 C ATOM 442 O PRO A 44 10.376 0.714 5.119 1.00 0.56 O ATOM 443 CB PRO A 44 10.721 -1.983 3.550 1.00 0.70 C ATOM 444 CG PRO A 44 11.789 -2.322 4.535 1.00 0.91 C ATOM 445 CD PRO A 44 12.989 -1.488 4.173 1.00 0.72 C ATOM 0 HA PRO A 44 10.761 -0.312 2.112 1.00 0.52 H new ATOM 0 HB2 PRO A 44 9.730 -2.098 3.989 1.00 0.70 H new ATOM 0 HB3 PRO A 44 10.763 -2.641 2.682 1.00 0.70 H new ATOM 0 HG2 PRO A 44 11.460 -2.107 5.552 1.00 0.91 H new ATOM 0 HG3 PRO A 44 12.029 -3.384 4.495 1.00 0.91 H new ATOM 0 HD2 PRO A 44 13.534 -1.166 5.060 1.00 0.72 H new ATOM 0 HD3 PRO A 44 13.691 -2.046 3.553 1.00 0.72 H new ATOM 453 N TYR A 45 8.984 0.834 3.340 1.00 0.46 N ATOM 454 CA TYR A 45 8.015 1.717 3.985 1.00 0.48 C ATOM 455 C TYR A 45 6.835 1.908 3.034 1.00 0.48 C ATOM 456 O TYR A 45 7.019 2.277 1.877 1.00 0.66 O ATOM 457 CB TYR A 45 8.697 3.041 4.377 1.00 0.52 C ATOM 458 CG TYR A 45 7.901 4.293 4.063 1.00 0.63 C ATOM 459 CD1 TYR A 45 7.739 4.702 2.751 1.00 1.35 C ATOM 460 CD2 TYR A 45 7.337 5.031 5.089 1.00 1.47 C ATOM 461 CE1 TYR A 45 7.013 5.847 2.467 1.00 1.50 C ATOM 462 CE2 TYR A 45 6.612 6.175 4.803 1.00 1.70 C ATOM 463 CZ TYR A 45 6.453 6.577 3.493 1.00 1.24 C ATOM 464 OH TYR A 45 5.732 7.714 3.209 1.00 1.60 O ATOM 0 H TYR A 45 8.743 0.583 2.381 1.00 0.46 H new ATOM 0 HA TYR A 45 7.634 1.283 4.909 1.00 0.48 H new ATOM 0 HB2 TYR A 45 8.906 3.021 5.447 1.00 0.52 H new ATOM 0 HB3 TYR A 45 9.658 3.102 3.865 1.00 0.52 H new ATOM 0 HD1 TYR A 45 8.179 4.128 1.948 1.00 1.35 H new ATOM 0 HD2 TYR A 45 7.463 4.714 6.114 1.00 1.47 H new ATOM 0 HE1 TYR A 45 6.886 6.167 1.443 1.00 1.50 H new ATOM 0 HE2 TYR A 45 6.172 6.751 5.603 1.00 1.70 H new ATOM 0 HH TYR A 45 5.404 8.110 4.043 1.00 1.60 H new ATOM 474 N VAL A 46 5.630 1.617 3.517 1.00 0.48 N ATOM 475 CA VAL A 46 4.429 1.718 2.689 1.00 0.48 C ATOM 476 C VAL A 46 3.796 3.098 2.788 1.00 0.49 C ATOM 477 O VAL A 46 4.099 3.871 3.694 1.00 0.54 O ATOM 478 CB VAL A 46 3.420 0.654 3.116 1.00 0.51 C ATOM 479 CG1 VAL A 46 2.311 0.516 2.079 1.00 0.61 C ATOM 480 CG2 VAL A 46 4.115 -0.690 3.329 1.00 0.56 C ATOM 0 H VAL A 46 5.458 1.310 4.474 1.00 0.48 H new ATOM 0 HA VAL A 46 4.720 1.557 1.651 1.00 0.48 H new ATOM 0 HB VAL A 46 2.974 0.968 4.059 1.00 0.51 H new ATOM 0 HG11 VAL A 46 1.603 -0.247 2.403 1.00 0.61 H new ATOM 0 HG12 VAL A 46 1.793 1.469 1.971 1.00 0.61 H new ATOM 0 HG13 VAL A 46 2.743 0.227 1.121 1.00 0.61 H new ATOM 0 HG21 VAL A 46 3.380 -1.436 3.633 1.00 0.56 H new ATOM 0 HG22 VAL A 46 4.589 -1.006 2.400 1.00 0.56 H new ATOM 0 HG23 VAL A 46 4.872 -0.589 4.107 1.00 0.56 H new ATOM 490 N GLU A 47 2.905 3.385 1.842 1.00 0.49 N ATOM 491 CA GLU A 47 2.194 4.658 1.793 1.00 0.55 C ATOM 492 C GLU A 47 0.787 4.424 1.257 1.00 0.49 C ATOM 493 O GLU A 47 0.585 4.295 0.050 1.00 0.53 O ATOM 494 CB GLU A 47 2.938 5.643 0.897 1.00 0.69 C ATOM 495 CG GLU A 47 2.724 7.080 1.363 1.00 0.82 C ATOM 496 CD GLU A 47 3.177 8.055 0.286 1.00 1.14 C ATOM 497 OE1 GLU A 47 3.302 7.634 -0.884 1.00 1.86 O ATOM 498 OE2 GLU A 47 3.406 9.239 0.612 1.00 1.65 O ATOM 0 H GLU A 47 2.657 2.743 1.090 1.00 0.49 H new ATOM 0 HA GLU A 47 2.137 5.080 2.797 1.00 0.55 H new ATOM 0 HB2 GLU A 47 4.003 5.411 0.902 1.00 0.69 H new ATOM 0 HB3 GLU A 47 2.593 5.536 -0.131 1.00 0.69 H new ATOM 0 HG2 GLU A 47 1.671 7.243 1.591 1.00 0.82 H new ATOM 0 HG3 GLU A 47 3.281 7.258 2.283 1.00 0.82 H new ATOM 505 N LEU A 48 -0.181 4.348 2.164 1.00 0.52 N ATOM 506 CA LEU A 48 -1.570 4.106 1.791 1.00 0.54 C ATOM 507 C LEU A 48 -2.278 5.408 1.457 1.00 0.57 C ATOM 508 O LEU A 48 -2.484 6.257 2.325 1.00 0.77 O ATOM 509 CB LEU A 48 -2.296 3.402 2.934 1.00 0.64 C ATOM 510 CG LEU A 48 -3.199 2.287 2.417 1.00 0.63 C ATOM 511 CD1 LEU A 48 -2.396 1.278 1.602 1.00 0.59 C ATOM 512 CD2 LEU A 48 -3.902 1.590 3.580 1.00 0.78 C ATOM 0 H LEU A 48 -0.028 4.451 3.167 1.00 0.52 H new ATOM 0 HA LEU A 48 -1.582 3.472 0.905 1.00 0.54 H new ATOM 0 HB2 LEU A 48 -1.567 2.988 3.630 1.00 0.64 H new ATOM 0 HB3 LEU A 48 -2.892 4.126 3.490 1.00 0.64 H new ATOM 0 HG LEU A 48 -3.954 2.730 1.768 1.00 0.63 H new ATOM 0 HD11 LEU A 48 -3.059 0.491 1.242 1.00 0.59 H new ATOM 0 HD12 LEU A 48 -1.936 1.781 0.752 1.00 0.59 H new ATOM 0 HD13 LEU A 48 -1.619 0.840 2.229 1.00 0.59 H new ATOM 0 HD21 LEU A 48 -4.543 0.797 3.195 1.00 0.78 H new ATOM 0 HD22 LEU A 48 -3.158 1.162 4.251 1.00 0.78 H new ATOM 0 HD23 LEU A 48 -4.508 2.314 4.125 1.00 0.78 H new ATOM 524 N PHE A 49 -2.660 5.556 0.195 1.00 0.51 N ATOM 525 CA PHE A 49 -3.359 6.750 -0.255 1.00 0.58 C ATOM 526 C PHE A 49 -4.630 6.358 -0.997 1.00 0.61 C ATOM 527 O PHE A 49 -4.662 5.346 -1.696 1.00 0.99 O ATOM 528 CB PHE A 49 -2.452 7.577 -1.159 1.00 0.62 C ATOM 529 CG PHE A 49 -2.100 8.920 -0.566 1.00 0.77 C ATOM 530 CD1 PHE A 49 -1.364 8.993 0.606 1.00 1.45 C ATOM 531 CD2 PHE A 49 -2.509 10.082 -1.198 1.00 1.48 C ATOM 532 CE1 PHE A 49 -1.040 10.228 1.144 1.00 1.55 C ATOM 533 CE2 PHE A 49 -2.184 11.315 -0.662 1.00 1.65 C ATOM 534 CZ PHE A 49 -1.450 11.389 0.510 1.00 1.19 C ATOM 0 H PHE A 49 -2.497 4.862 -0.535 1.00 0.51 H new ATOM 0 HA PHE A 49 -3.630 7.352 0.612 1.00 0.58 H new ATOM 0 HB2 PHE A 49 -1.536 7.020 -1.354 1.00 0.62 H new ATOM 0 HB3 PHE A 49 -2.944 7.727 -2.120 1.00 0.62 H new ATOM 0 HD1 PHE A 49 -1.043 8.088 1.100 1.00 1.45 H new ATOM 0 HD2 PHE A 49 -3.083 10.026 -2.111 1.00 1.48 H new ATOM 0 HE1 PHE A 49 -0.468 10.285 2.058 1.00 1.55 H new ATOM 0 HE2 PHE A 49 -2.503 12.220 -1.158 1.00 1.65 H new ATOM 0 HZ PHE A 49 -1.197 12.352 0.929 1.00 1.19 H new ATOM 544 N ILE A 50 -5.677 7.158 -0.836 1.00 0.49 N ATOM 545 CA ILE A 50 -6.956 6.889 -1.488 1.00 0.49 C ATOM 546 C ILE A 50 -7.544 8.189 -2.035 1.00 0.58 C ATOM 547 O ILE A 50 -7.121 9.280 -1.655 1.00 0.98 O ATOM 548 CB ILE A 50 -7.903 6.214 -0.487 1.00 0.45 C ATOM 549 CG1 ILE A 50 -7.441 4.781 -0.225 1.00 0.45 C ATOM 550 CG2 ILE A 50 -9.351 6.224 -0.978 1.00 0.52 C ATOM 551 CD1 ILE A 50 -8.313 4.089 0.818 1.00 0.42 C ATOM 0 H ILE A 50 -5.667 7.999 -0.259 1.00 0.49 H new ATOM 0 HA ILE A 50 -6.812 6.212 -2.330 1.00 0.49 H new ATOM 0 HB ILE A 50 -7.871 6.783 0.442 1.00 0.45 H new ATOM 0 HG12 ILE A 50 -7.468 4.214 -1.156 1.00 0.45 H new ATOM 0 HG13 ILE A 50 -6.405 4.789 0.114 1.00 0.45 H new ATOM 0 HG21 ILE A 50 -9.989 5.737 -0.240 1.00 0.52 H new ATOM 0 HG22 ILE A 50 -9.680 7.253 -1.119 1.00 0.52 H new ATOM 0 HG23 ILE A 50 -9.418 5.689 -1.925 1.00 0.52 H new ATOM 0 HD11 ILE A 50 -7.953 3.073 0.977 1.00 0.42 H new ATOM 0 HD12 ILE A 50 -8.266 4.641 1.756 1.00 0.42 H new ATOM 0 HD13 ILE A 50 -9.345 4.058 0.467 1.00 0.42 H new ATOM 563 N SER A 51 -8.511 8.065 -2.942 1.00 0.59 N ATOM 564 CA SER A 51 -9.141 9.230 -3.554 1.00 0.63 C ATOM 565 C SER A 51 -10.658 9.104 -3.529 1.00 0.65 C ATOM 566 O SER A 51 -11.259 8.533 -4.438 1.00 0.67 O ATOM 567 CB SER A 51 -8.665 9.382 -4.993 1.00 0.69 C ATOM 568 OG SER A 51 -7.292 9.035 -5.099 1.00 0.89 O ATOM 0 H SER A 51 -8.874 7.169 -3.268 1.00 0.59 H new ATOM 0 HA SER A 51 -8.856 10.112 -2.980 1.00 0.63 H new ATOM 0 HB2 SER A 51 -9.259 8.745 -5.649 1.00 0.69 H new ATOM 0 HB3 SER A 51 -8.814 10.409 -5.326 1.00 0.69 H new ATOM 0 HG SER A 51 -7.000 9.136 -6.029 1.00 0.89 H new ATOM 574 N THR A 52 -11.267 9.653 -2.484 1.00 0.68 N ATOM 575 CA THR A 52 -12.723 9.626 -2.322 1.00 0.74 C ATOM 576 C THR A 52 -13.105 10.054 -0.913 1.00 0.80 C ATOM 577 O THR A 52 -14.164 10.644 -0.696 1.00 0.89 O ATOM 578 CB THR A 52 -13.272 8.227 -2.591 1.00 0.72 C ATOM 579 OG1 THR A 52 -14.628 8.156 -2.178 1.00 1.14 O ATOM 580 CG2 THR A 52 -12.450 7.172 -1.859 1.00 0.90 C ATOM 0 H THR A 52 -10.773 10.127 -1.728 1.00 0.68 H new ATOM 0 HA THR A 52 -13.155 10.321 -3.043 1.00 0.74 H new ATOM 0 HB THR A 52 -13.208 8.030 -3.661 1.00 0.72 H new ATOM 0 HG1 THR A 52 -15.061 7.388 -2.606 1.00 1.14 H new ATOM 0 HG21 THR A 52 -12.860 6.183 -2.066 1.00 0.90 H new ATOM 0 HG22 THR A 52 -11.416 7.215 -2.201 1.00 0.90 H new ATOM 0 HG23 THR A 52 -12.486 7.363 -0.786 1.00 0.90 H new ATOM 588 N THR A 53 -12.235 9.751 0.042 1.00 0.77 N ATOM 589 CA THR A 53 -12.480 10.105 1.445 1.00 0.86 C ATOM 590 C THR A 53 -11.984 11.525 1.720 1.00 0.94 C ATOM 591 O THR A 53 -11.247 12.099 0.918 1.00 0.91 O ATOM 592 CB THR A 53 -11.823 9.095 2.424 1.00 0.82 C ATOM 593 OG1 THR A 53 -11.000 9.770 3.365 1.00 1.27 O ATOM 594 CG2 THR A 53 -10.998 8.023 1.708 1.00 1.28 C ATOM 0 H THR A 53 -11.355 9.263 -0.123 1.00 0.77 H new ATOM 0 HA THR A 53 -13.556 10.062 1.616 1.00 0.86 H new ATOM 0 HB THR A 53 -12.643 8.593 2.938 1.00 0.82 H new ATOM 0 HG1 THR A 53 -11.110 9.361 4.249 1.00 1.27 H new ATOM 0 HG21 THR A 53 -10.564 7.346 2.444 1.00 1.28 H new ATOM 0 HG22 THR A 53 -11.642 7.460 1.032 1.00 1.28 H new ATOM 0 HG23 THR A 53 -10.200 8.499 1.137 1.00 1.28 H new ATOM 602 N PRO A 54 -12.388 12.109 2.863 1.00 1.10 N ATOM 603 CA PRO A 54 -11.985 13.471 3.241 1.00 1.20 C ATOM 604 C PRO A 54 -10.493 13.697 3.054 1.00 1.13 C ATOM 605 O PRO A 54 -10.076 14.626 2.363 1.00 1.12 O ATOM 606 CB PRO A 54 -12.366 13.582 4.712 1.00 1.42 C ATOM 607 CG PRO A 54 -13.430 12.558 4.934 1.00 1.44 C ATOM 608 CD PRO A 54 -13.266 11.495 3.872 1.00 1.22 C ATOM 0 HA PRO A 54 -12.471 14.222 2.618 1.00 1.20 H new ATOM 0 HB2 PRO A 54 -11.505 13.397 5.354 1.00 1.42 H new ATOM 0 HB3 PRO A 54 -12.730 14.582 4.947 1.00 1.42 H new ATOM 0 HG2 PRO A 54 -13.341 12.123 5.929 1.00 1.44 H new ATOM 0 HG3 PRO A 54 -14.419 13.013 4.872 1.00 1.44 H new ATOM 0 HD2 PRO A 54 -12.823 10.588 4.284 1.00 1.22 H new ATOM 0 HD3 PRO A 54 -14.227 11.213 3.442 1.00 1.22 H new ATOM 616 N ASP A 55 -9.693 12.840 3.672 1.00 1.13 N ATOM 617 CA ASP A 55 -8.243 12.942 3.572 1.00 1.10 C ATOM 618 C ASP A 55 -7.587 11.613 3.917 1.00 1.11 C ATOM 619 O ASP A 55 -6.990 11.464 4.983 1.00 1.33 O ATOM 620 CB ASP A 55 -7.727 14.033 4.505 1.00 1.28 C ATOM 621 CG ASP A 55 -7.831 15.394 3.830 1.00 1.27 C ATOM 622 OD1 ASP A 55 -6.925 15.739 3.043 1.00 1.59 O ATOM 623 OD2 ASP A 55 -8.819 16.113 4.089 1.00 1.80 O ATOM 0 H ASP A 55 -10.023 12.066 4.248 1.00 1.13 H new ATOM 0 HA ASP A 55 -7.987 13.201 2.544 1.00 1.10 H new ATOM 0 HB2 ASP A 55 -8.303 14.033 5.430 1.00 1.28 H new ATOM 0 HB3 ASP A 55 -6.690 13.831 4.775 1.00 1.28 H new ATOM 628 N SER A 56 -7.699 10.652 3.007 1.00 0.96 N ATOM 629 CA SER A 56 -7.111 9.332 3.205 1.00 1.02 C ATOM 630 C SER A 56 -5.629 9.366 2.858 1.00 0.92 C ATOM 631 O SER A 56 -5.221 8.910 1.791 1.00 0.88 O ATOM 632 CB SER A 56 -7.821 8.317 2.323 1.00 1.14 C ATOM 633 OG SER A 56 -7.968 8.836 1.008 1.00 1.23 O ATOM 0 H SER A 56 -8.193 10.763 2.122 1.00 0.96 H new ATOM 0 HA SER A 56 -7.225 9.044 4.250 1.00 1.02 H new ATOM 0 HB2 SER A 56 -7.253 7.387 2.295 1.00 1.14 H new ATOM 0 HB3 SER A 56 -8.799 8.080 2.741 1.00 1.14 H new ATOM 0 HG SER A 56 -7.086 9.061 0.645 1.00 1.23 H new ATOM 639 N ARG A 57 -4.830 9.919 3.762 1.00 1.06 N ATOM 640 CA ARG A 57 -3.390 10.028 3.551 1.00 1.13 C ATOM 641 C ARG A 57 -2.646 9.355 4.694 1.00 1.28 C ATOM 642 O ARG A 57 -2.028 10.020 5.524 1.00 1.84 O ATOM 643 CB ARG A 57 -2.982 11.500 3.458 1.00 1.29 C ATOM 644 CG ARG A 57 -4.082 12.351 2.825 1.00 1.18 C ATOM 645 CD ARG A 57 -4.467 11.829 1.445 1.00 1.06 C ATOM 646 NE ARG A 57 -4.422 12.914 0.470 1.00 1.31 N ATOM 647 CZ ARG A 57 -5.525 13.531 0.062 1.00 1.59 C ATOM 648 NH1 ARG A 57 -6.439 12.869 -0.634 1.00 2.23 N ATOM 649 NH2 ARG A 57 -5.715 14.811 0.354 1.00 2.24 N ATOM 0 H ARG A 57 -5.155 10.300 4.651 1.00 1.06 H new ATOM 0 HA ARG A 57 -3.132 9.530 2.616 1.00 1.13 H new ATOM 0 HB2 ARG A 57 -2.756 11.879 4.455 1.00 1.29 H new ATOM 0 HB3 ARG A 57 -2.069 11.588 2.869 1.00 1.29 H new ATOM 0 HG2 ARG A 57 -4.959 12.354 3.472 1.00 1.18 H new ATOM 0 HG3 ARG A 57 -3.743 13.384 2.743 1.00 1.18 H new ATOM 0 HD2 ARG A 57 -3.786 11.032 1.146 1.00 1.06 H new ATOM 0 HD3 ARG A 57 -5.468 11.399 1.476 1.00 1.06 H new ATOM 0 HE ARG A 57 -3.521 13.206 0.092 1.00 1.31 H new ATOM 0 HH11 ARG A 57 -6.296 11.884 -0.857 1.00 2.23 H new ATOM 0 HH12 ARG A 57 -7.285 13.345 -0.946 1.00 2.23 H new ATOM 0 HH21 ARG A 57 -5.014 15.321 0.892 1.00 2.24 H new ATOM 0 HH22 ARG A 57 -6.562 15.285 0.041 1.00 2.24 H new ATOM 663 N LYS A 58 -2.717 8.030 4.737 1.00 0.90 N ATOM 664 CA LYS A 58 -2.058 7.263 5.786 1.00 1.03 C ATOM 665 C LYS A 58 -0.911 6.449 5.209 1.00 0.62 C ATOM 666 O LYS A 58 -0.725 6.399 3.994 1.00 1.03 O ATOM 667 CB LYS A 58 -3.074 6.350 6.460 1.00 1.60 C ATOM 668 CG LYS A 58 -4.310 7.138 6.882 1.00 2.36 C ATOM 669 CD LYS A 58 -5.590 6.357 6.603 1.00 2.72 C ATOM 670 CE LYS A 58 -6.638 7.241 5.934 1.00 3.18 C ATOM 671 NZ LYS A 58 -7.779 7.519 6.854 1.00 4.14 N ATOM 0 H LYS A 58 -3.225 7.464 4.057 1.00 0.90 H new ATOM 0 HA LYS A 58 -1.647 7.949 6.527 1.00 1.03 H new ATOM 0 HB2 LYS A 58 -3.362 5.551 5.777 1.00 1.60 H new ATOM 0 HB3 LYS A 58 -2.623 5.877 7.332 1.00 1.60 H new ATOM 0 HG2 LYS A 58 -4.249 7.372 7.945 1.00 2.36 H new ATOM 0 HG3 LYS A 58 -4.338 8.088 6.348 1.00 2.36 H new ATOM 0 HD2 LYS A 58 -5.367 5.504 5.962 1.00 2.72 H new ATOM 0 HD3 LYS A 58 -5.988 5.959 7.537 1.00 2.72 H new ATOM 0 HE2 LYS A 58 -6.180 8.181 5.624 1.00 3.18 H new ATOM 0 HE3 LYS A 58 -7.006 6.753 5.032 1.00 3.18 H new ATOM 0 HZ1 LYS A 58 -8.121 8.489 6.699 1.00 4.14 H new ATOM 0 HZ2 LYS A 58 -8.549 6.846 6.666 1.00 4.14 H new ATOM 0 HZ3 LYS A 58 -7.463 7.417 7.840 1.00 4.14 H new ATOM 685 N ARG A 59 -0.132 5.820 6.084 1.00 0.83 N ATOM 686 CA ARG A 59 1.005 5.022 5.642 1.00 1.15 C ATOM 687 C ARG A 59 1.580 4.196 6.779 1.00 1.03 C ATOM 688 O ARG A 59 1.158 4.315 7.930 1.00 1.30 O ATOM 689 CB ARG A 59 2.081 5.942 5.081 1.00 2.00 C ATOM 690 CG ARG A 59 2.657 6.843 6.169 1.00 3.16 C ATOM 691 CD ARG A 59 2.566 8.311 5.772 1.00 4.04 C ATOM 692 NE ARG A 59 1.954 9.086 6.844 1.00 4.84 N ATOM 693 CZ ARG A 59 2.167 10.391 6.966 1.00 5.55 C ATOM 694 NH1 ARG A 59 3.350 10.837 7.367 1.00 6.11 N ATOM 695 NH2 ARG A 59 1.199 11.252 6.685 1.00 6.03 N ATOM 0 H ARG A 59 -0.266 5.847 7.095 1.00 0.83 H new ATOM 0 HA ARG A 59 0.660 4.335 4.869 1.00 1.15 H new ATOM 0 HB2 ARG A 59 2.879 5.346 4.639 1.00 2.00 H new ATOM 0 HB3 ARG A 59 1.660 6.554 4.283 1.00 2.00 H new ATOM 0 HG2 ARG A 59 2.117 6.682 7.102 1.00 3.16 H new ATOM 0 HG3 ARG A 59 3.698 6.577 6.352 1.00 3.16 H new ATOM 0 HD2 ARG A 59 3.561 8.699 5.556 1.00 4.04 H new ATOM 0 HD3 ARG A 59 1.979 8.413 4.859 1.00 4.04 H new ATOM 0 HE ARG A 59 1.348 8.615 7.516 1.00 4.84 H new ATOM 0 HH11 ARG A 59 4.098 10.177 7.582 1.00 6.11 H new ATOM 0 HH12 ARG A 59 3.512 11.840 7.460 1.00 6.11 H new ATOM 0 HH21 ARG A 59 0.289 10.912 6.374 1.00 6.03 H new ATOM 0 HH22 ARG A 59 1.364 12.254 6.779 1.00 6.03 H new ATOM 709 N THR A 60 2.555 3.358 6.442 1.00 0.70 N ATOM 710 CA THR A 60 3.206 2.505 7.425 1.00 0.64 C ATOM 711 C THR A 60 4.698 2.801 7.446 1.00 0.63 C ATOM 712 O THR A 60 5.404 2.570 6.460 1.00 0.71 O ATOM 713 CB THR A 60 2.972 1.023 7.108 1.00 0.66 C ATOM 714 OG1 THR A 60 4.009 0.534 6.275 1.00 0.64 O ATOM 715 CG2 THR A 60 1.616 0.799 6.438 1.00 0.81 C ATOM 0 H THR A 60 2.911 3.253 5.492 1.00 0.70 H new ATOM 0 HA THR A 60 2.776 2.714 8.405 1.00 0.64 H new ATOM 0 HB THR A 60 2.975 0.476 8.051 1.00 0.66 H new ATOM 0 HG1 THR A 60 4.389 -0.279 6.669 1.00 0.64 H new ATOM 0 HG21 THR A 60 1.485 -0.263 6.228 1.00 0.81 H new ATOM 0 HG22 THR A 60 0.821 1.138 7.102 1.00 0.81 H new ATOM 0 HG23 THR A 60 1.574 1.361 5.505 1.00 0.81 H new ATOM 723 N ARG A 61 5.169 3.303 8.576 1.00 0.89 N ATOM 724 CA ARG A 61 6.578 3.628 8.742 1.00 1.02 C ATOM 725 C ARG A 61 7.329 2.393 9.194 1.00 0.85 C ATOM 726 O ARG A 61 7.332 2.053 10.377 1.00 1.69 O ATOM 727 CB ARG A 61 6.741 4.749 9.760 1.00 1.77 C ATOM 728 CG ARG A 61 6.683 6.111 9.078 1.00 2.27 C ATOM 729 CD ARG A 61 7.325 7.189 9.942 1.00 2.93 C ATOM 730 NE ARG A 61 6.474 7.492 11.087 1.00 3.48 N ATOM 731 CZ ARG A 61 6.924 7.390 12.333 1.00 4.11 C ATOM 732 NH1 ARG A 61 7.083 6.196 12.887 1.00 4.65 N ATOM 733 NH2 ARG A 61 7.212 8.484 13.025 1.00 4.64 N ATOM 0 H ARG A 61 4.594 3.495 9.396 1.00 0.89 H new ATOM 0 HA ARG A 61 6.986 3.966 7.789 1.00 1.02 H new ATOM 0 HB2 ARG A 61 5.955 4.680 10.513 1.00 1.77 H new ATOM 0 HB3 ARG A 61 7.692 4.638 10.281 1.00 1.77 H new ATOM 0 HG2 ARG A 61 7.193 6.061 8.116 1.00 2.27 H new ATOM 0 HG3 ARG A 61 5.645 6.375 8.875 1.00 2.27 H new ATOM 0 HD2 ARG A 61 8.304 6.854 10.286 1.00 2.93 H new ATOM 0 HD3 ARG A 61 7.486 8.091 9.351 1.00 2.93 H new ATOM 0 HE ARG A 61 5.511 7.789 10.928 1.00 3.48 H new ATOM 0 HH11 ARG A 61 6.860 5.354 12.357 1.00 4.65 H new ATOM 0 HH12 ARG A 61 7.429 6.120 13.844 1.00 4.65 H new ATOM 0 HH21 ARG A 61 7.088 9.403 12.601 1.00 4.64 H new ATOM 0 HH22 ARG A 61 7.557 8.406 13.982 1.00 4.64 H new ATOM 747 N HIS A 62 7.945 1.705 8.244 1.00 0.90 N ATOM 748 CA HIS A 62 8.670 0.490 8.558 1.00 1.32 C ATOM 749 C HIS A 62 10.091 0.796 9.053 1.00 0.89 C ATOM 750 O HIS A 62 10.238 1.308 10.162 1.00 1.09 O ATOM 751 CB HIS A 62 8.640 -0.463 7.362 1.00 2.40 C ATOM 752 CG HIS A 62 8.677 -1.898 7.780 1.00 3.35 C ATOM 753 ND1 HIS A 62 7.980 -2.382 8.856 1.00 4.29 N ATOM 754 CD2 HIS A 62 9.332 -2.972 7.273 1.00 3.81 C ATOM 755 CE1 HIS A 62 8.186 -3.668 9.010 1.00 5.06 C ATOM 756 NE2 HIS A 62 9.012 -4.068 8.055 1.00 4.76 N ATOM 0 H HIS A 62 7.956 1.967 7.258 1.00 0.90 H new ATOM 0 HA HIS A 62 8.174 -0.017 9.385 1.00 1.32 H new ATOM 0 HB2 HIS A 62 7.739 -0.280 6.777 1.00 2.40 H new ATOM 0 HB3 HIS A 62 9.490 -0.254 6.712 1.00 2.40 H new ATOM 0 HD1 HIS A 62 7.380 -1.817 9.457 1.00 4.29 H new ATOM 0 HD2 HIS A 62 9.986 -2.972 6.413 1.00 3.81 H new ATOM 0 HE1 HIS A 62 7.757 -4.292 9.781 1.00 5.06 H new ATOM 764 N PHE A 63 11.134 0.490 8.266 1.00 0.72 N ATOM 765 CA PHE A 63 12.515 0.742 8.701 1.00 1.10 C ATOM 766 C PHE A 63 13.477 0.645 7.520 1.00 0.98 C ATOM 767 O PHE A 63 13.053 0.531 6.371 1.00 1.50 O ATOM 768 CB PHE A 63 12.919 -0.288 9.764 1.00 1.79 C ATOM 769 CG PHE A 63 12.246 -0.072 11.095 1.00 2.27 C ATOM 770 CD1 PHE A 63 12.710 0.905 11.960 1.00 2.74 C ATOM 771 CD2 PHE A 63 11.158 -0.851 11.453 1.00 2.82 C ATOM 772 CE1 PHE A 63 12.088 1.102 13.182 1.00 3.19 C ATOM 773 CE2 PHE A 63 10.535 -0.654 12.675 1.00 3.28 C ATOM 774 CZ PHE A 63 11.000 0.322 13.539 1.00 3.27 C ATOM 0 H PHE A 63 11.050 0.074 7.339 1.00 0.72 H new ATOM 0 HA PHE A 63 12.566 1.747 9.119 1.00 1.10 H new ATOM 0 HB2 PHE A 63 12.677 -1.287 9.401 1.00 1.79 H new ATOM 0 HB3 PHE A 63 14.000 -0.252 9.902 1.00 1.79 H new ATOM 0 HD1 PHE A 63 13.557 1.514 11.682 1.00 2.74 H new ATOM 0 HD2 PHE A 63 10.795 -1.613 10.779 1.00 2.82 H new ATOM 0 HE1 PHE A 63 12.451 1.863 13.856 1.00 3.19 H new ATOM 0 HE2 PHE A 63 9.687 -1.262 12.953 1.00 3.28 H new ATOM 0 HZ PHE A 63 10.515 0.476 14.492 1.00 3.27 H new ATOM 784 N ASN A 64 14.779 0.679 7.815 1.00 0.75 N ATOM 785 CA ASN A 64 15.805 0.580 6.779 1.00 0.69 C ATOM 786 C ASN A 64 16.347 -0.845 6.703 1.00 0.74 C ATOM 787 O ASN A 64 16.089 -1.663 7.586 1.00 0.93 O ATOM 788 CB ASN A 64 16.951 1.554 7.061 1.00 0.91 C ATOM 789 CG ASN A 64 17.340 1.513 8.533 1.00 1.16 C ATOM 790 OD1 ASN A 64 17.318 0.454 9.161 1.00 1.56 O ATOM 791 ND2 ASN A 64 17.698 2.667 9.084 1.00 1.51 N ATOM 0 H ASN A 64 15.145 0.774 8.762 1.00 0.75 H new ATOM 0 HA ASN A 64 15.350 0.840 5.823 1.00 0.69 H new ATOM 0 HB2 ASN A 64 17.813 1.298 6.444 1.00 0.91 H new ATOM 0 HB3 ASN A 64 16.652 2.565 6.787 1.00 0.91 H new ATOM 0 HD21 ASN A 64 17.970 2.700 10.067 1.00 1.51 H new ATOM 0 HD22 ASN A 64 17.701 3.520 8.525 1.00 1.51 H new ATOM 798 N ASN A 65 17.101 -1.136 5.641 1.00 0.68 N ATOM 799 CA ASN A 65 17.691 -2.467 5.438 1.00 0.81 C ATOM 800 C ASN A 65 16.671 -3.561 5.715 1.00 0.88 C ATOM 801 O ASN A 65 16.600 -4.092 6.823 1.00 1.11 O ATOM 802 CB ASN A 65 18.939 -2.683 6.312 1.00 1.04 C ATOM 803 CG ASN A 65 19.008 -1.688 7.469 1.00 1.16 C ATOM 804 OD1 ASN A 65 19.208 -0.492 7.261 1.00 1.19 O ATOM 805 ND2 ASN A 65 18.843 -2.186 8.690 1.00 1.76 N ATOM 0 H ASN A 65 17.320 -0.466 4.903 1.00 0.68 H new ATOM 0 HA ASN A 65 17.998 -2.521 4.393 1.00 0.81 H new ATOM 0 HB2 ASN A 65 18.933 -3.699 6.708 1.00 1.04 H new ATOM 0 HB3 ASN A 65 19.833 -2.586 5.697 1.00 1.04 H new ATOM 0 HD21 ASN A 65 18.880 -1.569 9.502 1.00 1.76 H new ATOM 0 HD22 ASN A 65 18.679 -3.185 8.816 1.00 1.76 H new ATOM 812 N ASP A 66 15.889 -3.893 4.690 1.00 0.78 N ATOM 813 CA ASP A 66 14.865 -4.928 4.792 1.00 0.95 C ATOM 814 C ASP A 66 14.129 -5.070 3.465 1.00 0.76 C ATOM 815 O ASP A 66 13.453 -4.145 3.022 1.00 0.96 O ATOM 816 CB ASP A 66 13.870 -4.574 5.895 1.00 1.26 C ATOM 817 CG ASP A 66 14.250 -5.264 7.197 1.00 1.64 C ATOM 818 OD1 ASP A 66 14.892 -6.334 7.138 1.00 2.08 O ATOM 819 OD2 ASP A 66 13.909 -4.733 8.275 1.00 2.13 O ATOM 0 H ASP A 66 15.947 -3.455 3.771 1.00 0.78 H new ATOM 0 HA ASP A 66 15.348 -5.874 5.036 1.00 0.95 H new ATOM 0 HB2 ASP A 66 13.849 -3.494 6.041 1.00 1.26 H new ATOM 0 HB3 ASP A 66 12.866 -4.875 5.597 1.00 1.26 H new ATOM 824 N ILE A 67 14.252 -6.232 2.833 1.00 0.55 N ATOM 825 CA ILE A 67 13.575 -6.470 1.562 1.00 0.47 C ATOM 826 C ILE A 67 12.522 -7.563 1.706 1.00 0.43 C ATOM 827 O ILE A 67 12.000 -8.058 0.709 1.00 0.67 O ATOM 828 CB ILE A 67 14.577 -6.867 0.481 1.00 0.49 C ATOM 829 CG1 ILE A 67 15.363 -8.097 0.913 1.00 0.55 C ATOM 830 CG2 ILE A 67 15.526 -5.718 0.160 1.00 0.56 C ATOM 831 CD1 ILE A 67 16.048 -8.757 -0.280 1.00 0.62 C ATOM 0 H ILE A 67 14.807 -7.016 3.174 1.00 0.55 H new ATOM 0 HA ILE A 67 13.085 -5.542 1.269 1.00 0.47 H new ATOM 0 HB ILE A 67 14.018 -7.105 -0.424 1.00 0.49 H new ATOM 0 HG12 ILE A 67 16.110 -7.813 1.654 1.00 0.55 H new ATOM 0 HG13 ILE A 67 14.693 -8.811 1.393 1.00 0.55 H new ATOM 0 HG21 ILE A 67 16.228 -6.031 -0.613 1.00 0.56 H new ATOM 0 HG22 ILE A 67 14.953 -4.861 -0.195 1.00 0.56 H new ATOM 0 HG23 ILE A 67 16.077 -5.439 1.058 1.00 0.56 H new ATOM 0 HD11 ILE A 67 16.602 -9.633 0.057 1.00 0.62 H new ATOM 0 HD12 ILE A 67 15.296 -9.062 -1.008 1.00 0.62 H new ATOM 0 HD13 ILE A 67 16.735 -8.049 -0.742 1.00 0.62 H new ATOM 843 N ASN A 68 12.205 -7.936 2.943 1.00 0.42 N ATOM 844 CA ASN A 68 11.209 -8.969 3.191 1.00 0.44 C ATOM 845 C ASN A 68 10.400 -8.643 4.441 1.00 0.49 C ATOM 846 O ASN A 68 10.234 -9.490 5.319 1.00 0.63 O ATOM 847 CB ASN A 68 11.895 -10.321 3.355 1.00 0.56 C ATOM 848 CG ASN A 68 12.707 -10.657 2.111 1.00 1.33 C ATOM 849 OD1 ASN A 68 12.157 -10.803 1.019 1.00 2.28 O ATOM 850 ND2 ASN A 68 14.018 -10.783 2.275 1.00 1.77 N ATOM 0 H ASN A 68 12.623 -7.539 3.785 1.00 0.42 H new ATOM 0 HA ASN A 68 10.531 -9.010 2.339 1.00 0.44 H new ATOM 0 HB2 ASN A 68 12.547 -10.302 4.229 1.00 0.56 H new ATOM 0 HB3 ASN A 68 11.149 -11.096 3.531 1.00 0.56 H new ATOM 0 HD21 ASN A 68 14.612 -11.010 1.478 1.00 1.77 H new ATOM 0 HD22 ASN A 68 14.431 -10.653 3.198 1.00 1.77 H new ATOM 857 N PRO A 69 9.880 -7.406 4.540 1.00 0.48 N ATOM 858 CA PRO A 69 9.080 -6.976 5.694 1.00 0.59 C ATOM 859 C PRO A 69 7.652 -7.505 5.629 1.00 0.50 C ATOM 860 O PRO A 69 7.215 -8.021 4.601 1.00 0.53 O ATOM 861 CB PRO A 69 9.088 -5.459 5.593 1.00 0.72 C ATOM 862 CG PRO A 69 9.270 -5.164 4.141 1.00 0.64 C ATOM 863 CD PRO A 69 10.023 -6.329 3.544 1.00 0.50 C ATOM 0 HA PRO A 69 9.486 -7.352 6.633 1.00 0.59 H new ATOM 0 HB2 PRO A 69 8.156 -5.035 5.967 1.00 0.72 H new ATOM 0 HB3 PRO A 69 9.895 -5.029 6.186 1.00 0.72 H new ATOM 0 HG2 PRO A 69 8.305 -5.036 3.650 1.00 0.64 H new ATOM 0 HG3 PRO A 69 9.824 -4.235 4.003 1.00 0.64 H new ATOM 0 HD2 PRO A 69 9.605 -6.621 2.580 1.00 0.50 H new ATOM 0 HD3 PRO A 69 11.071 -6.080 3.375 1.00 0.50 H new ATOM 871 N VAL A 70 6.929 -7.362 6.732 1.00 0.47 N ATOM 872 CA VAL A 70 5.544 -7.812 6.811 1.00 0.45 C ATOM 873 C VAL A 70 4.771 -6.933 7.784 1.00 0.45 C ATOM 874 O VAL A 70 5.110 -6.857 8.966 1.00 0.47 O ATOM 875 CB VAL A 70 5.488 -9.267 7.264 1.00 0.51 C ATOM 876 CG1 VAL A 70 4.066 -9.806 7.152 1.00 0.55 C ATOM 877 CG2 VAL A 70 6.447 -10.122 6.439 1.00 0.59 C ATOM 0 H VAL A 70 7.281 -6.936 7.589 1.00 0.47 H new ATOM 0 HA VAL A 70 5.090 -7.736 5.823 1.00 0.45 H new ATOM 0 HB VAL A 70 5.795 -9.314 8.309 1.00 0.51 H new ATOM 0 HG11 VAL A 70 4.044 -10.845 7.479 1.00 0.55 H new ATOM 0 HG12 VAL A 70 3.402 -9.213 7.781 1.00 0.55 H new ATOM 0 HG13 VAL A 70 3.734 -9.745 6.115 1.00 0.55 H new ATOM 0 HG21 VAL A 70 6.394 -11.157 6.776 1.00 0.59 H new ATOM 0 HG22 VAL A 70 6.169 -10.068 5.387 1.00 0.59 H new ATOM 0 HG23 VAL A 70 7.464 -9.752 6.564 1.00 0.59 H new ATOM 887 N TRP A 71 3.735 -6.262 7.288 1.00 0.51 N ATOM 888 CA TRP A 71 2.929 -5.383 8.126 1.00 0.58 C ATOM 889 C TRP A 71 1.599 -6.041 8.461 1.00 0.55 C ATOM 890 O TRP A 71 1.154 -6.018 9.608 1.00 0.64 O ATOM 891 CB TRP A 71 2.680 -4.067 7.402 1.00 0.66 C ATOM 892 CG TRP A 71 3.941 -3.317 7.107 1.00 0.60 C ATOM 893 CD1 TRP A 71 4.536 -2.369 7.891 1.00 0.96 C ATOM 894 CD2 TRP A 71 4.767 -3.450 5.935 1.00 0.47 C ATOM 895 NE1 TRP A 71 5.665 -1.923 7.263 1.00 0.85 N ATOM 896 CE2 TRP A 71 5.837 -2.558 6.073 1.00 0.49 C ATOM 897 CE3 TRP A 71 4.701 -4.236 4.787 1.00 0.84 C ATOM 898 CZ2 TRP A 71 6.823 -2.437 5.107 1.00 0.57 C ATOM 899 CZ3 TRP A 71 5.684 -4.123 3.816 1.00 1.13 C ATOM 900 CH2 TRP A 71 6.737 -3.231 3.974 1.00 0.94 C ATOM 0 H TRP A 71 3.436 -6.310 6.314 1.00 0.51 H new ATOM 0 HA TRP A 71 3.470 -5.192 9.053 1.00 0.58 H new ATOM 0 HB2 TRP A 71 2.154 -4.266 6.468 1.00 0.66 H new ATOM 0 HB3 TRP A 71 2.025 -3.442 8.009 1.00 0.66 H new ATOM 0 HD1 TRP A 71 4.174 -2.028 8.850 1.00 0.96 H new ATOM 0 HE1 TRP A 71 6.293 -1.211 7.636 1.00 0.85 H new ATOM 0 HE3 TRP A 71 3.886 -4.932 4.654 1.00 0.84 H new ATOM 0 HZ2 TRP A 71 7.639 -1.741 5.234 1.00 0.57 H new ATOM 0 HZ3 TRP A 71 5.631 -4.735 2.928 1.00 1.13 H new ATOM 0 HH2 TRP A 71 7.495 -3.155 3.208 1.00 0.94 H new ATOM 911 N ASN A 72 0.961 -6.617 7.444 1.00 0.47 N ATOM 912 CA ASN A 72 -0.334 -7.279 7.606 1.00 0.49 C ATOM 913 C ASN A 72 -1.251 -6.443 8.494 1.00 0.55 C ATOM 914 O ASN A 72 -1.956 -6.973 9.352 1.00 0.70 O ATOM 915 CB ASN A 72 -0.145 -8.671 8.208 1.00 0.57 C ATOM 916 CG ASN A 72 0.391 -8.575 9.631 1.00 0.67 C ATOM 917 OD1 ASN A 72 1.589 -8.393 9.843 1.00 1.42 O ATOM 918 ND2 ASN A 72 -0.499 -8.701 10.608 1.00 1.20 N ATOM 0 H ASN A 72 1.323 -6.639 6.491 1.00 0.47 H new ATOM 0 HA ASN A 72 -0.797 -7.381 6.624 1.00 0.49 H new ATOM 0 HB2 ASN A 72 -1.095 -9.205 8.207 1.00 0.57 H new ATOM 0 HB3 ASN A 72 0.545 -9.248 7.592 1.00 0.57 H new ATOM 0 HD21 ASN A 72 -0.199 -8.648 11.581 1.00 1.20 H new ATOM 0 HD22 ASN A 72 -1.483 -8.851 10.385 1.00 1.20 H new ATOM 925 N GLU A 73 -1.228 -5.129 8.282 1.00 0.48 N ATOM 926 CA GLU A 73 -2.050 -4.209 9.064 1.00 0.53 C ATOM 927 C GLU A 73 -3.349 -3.901 8.334 1.00 0.46 C ATOM 928 O GLU A 73 -3.335 -3.459 7.183 1.00 0.43 O ATOM 929 CB GLU A 73 -1.282 -2.917 9.321 1.00 0.59 C ATOM 930 CG GLU A 73 0.133 -3.205 9.809 1.00 0.67 C ATOM 931 CD GLU A 73 0.969 -1.933 9.771 1.00 0.86 C ATOM 932 OE1 GLU A 73 0.378 -0.834 9.729 1.00 1.52 O ATOM 933 OE2 GLU A 73 2.212 -2.038 9.783 1.00 1.40 O ATOM 0 H GLU A 73 -0.648 -4.677 7.575 1.00 0.48 H new ATOM 0 HA GLU A 73 -2.289 -4.681 10.017 1.00 0.53 H new ATOM 0 HB2 GLU A 73 -1.241 -2.327 8.405 1.00 0.59 H new ATOM 0 HB3 GLU A 73 -1.810 -2.318 10.063 1.00 0.59 H new ATOM 0 HG2 GLU A 73 0.102 -3.599 10.825 1.00 0.67 H new ATOM 0 HG3 GLU A 73 0.593 -3.970 9.184 1.00 0.67 H new ATOM 940 N THR A 74 -4.468 -4.142 9.014 1.00 0.45 N ATOM 941 CA THR A 74 -5.791 -3.903 8.445 1.00 0.40 C ATOM 942 C THR A 74 -6.363 -2.575 8.931 1.00 0.41 C ATOM 943 O THR A 74 -6.757 -2.447 10.090 1.00 0.49 O ATOM 944 CB THR A 74 -6.734 -5.038 8.842 1.00 0.42 C ATOM 945 OG1 THR A 74 -6.237 -6.275 8.361 1.00 0.47 O ATOM 946 CG2 THR A 74 -8.142 -4.795 8.303 1.00 0.40 C ATOM 0 H THR A 74 -4.483 -4.505 9.967 1.00 0.45 H new ATOM 0 HA THR A 74 -5.695 -3.863 7.360 1.00 0.40 H new ATOM 0 HB THR A 74 -6.786 -5.071 9.930 1.00 0.42 H new ATOM 0 HG1 THR A 74 -5.531 -6.599 8.959 1.00 0.47 H new ATOM 0 HG21 THR A 74 -8.792 -5.618 8.600 1.00 0.40 H new ATOM 0 HG22 THR A 74 -8.531 -3.861 8.708 1.00 0.40 H new ATOM 0 HG23 THR A 74 -8.109 -4.733 7.215 1.00 0.40 H new ATOM 954 N PHE A 75 -6.424 -1.597 8.034 1.00 0.39 N ATOM 955 CA PHE A 75 -6.970 -0.288 8.365 1.00 0.43 C ATOM 956 C PHE A 75 -8.367 -0.157 7.772 1.00 0.38 C ATOM 957 O PHE A 75 -8.560 -0.346 6.571 1.00 0.36 O ATOM 958 CB PHE A 75 -6.061 0.810 7.822 1.00 0.50 C ATOM 959 CG PHE A 75 -4.748 0.895 8.559 1.00 0.61 C ATOM 960 CD1 PHE A 75 -4.651 1.651 9.716 1.00 1.42 C ATOM 961 CD2 PHE A 75 -3.639 0.216 8.082 1.00 1.33 C ATOM 962 CE1 PHE A 75 -3.446 1.728 10.395 1.00 1.54 C ATOM 963 CE2 PHE A 75 -2.434 0.293 8.761 1.00 1.39 C ATOM 964 CZ PHE A 75 -2.338 1.049 9.917 1.00 0.95 C ATOM 0 H PHE A 75 -6.101 -1.687 7.071 1.00 0.39 H new ATOM 0 HA PHE A 75 -7.030 -0.184 9.448 1.00 0.43 H new ATOM 0 HB2 PHE A 75 -5.869 0.627 6.765 1.00 0.50 H new ATOM 0 HB3 PHE A 75 -6.575 1.769 7.891 1.00 0.50 H new ATOM 0 HD1 PHE A 75 -5.515 2.181 10.089 1.00 1.42 H new ATOM 0 HD2 PHE A 75 -3.714 -0.374 7.180 1.00 1.33 H new ATOM 0 HE1 PHE A 75 -3.371 2.317 11.297 1.00 1.54 H new ATOM 0 HE2 PHE A 75 -1.570 -0.237 8.389 1.00 1.39 H new ATOM 0 HZ PHE A 75 -1.398 1.109 10.446 1.00 0.95 H new ATOM 974 N GLU A 76 -9.342 0.155 8.618 1.00 0.41 N ATOM 975 CA GLU A 76 -10.723 0.294 8.172 1.00 0.42 C ATOM 976 C GLU A 76 -10.930 1.650 7.512 1.00 0.45 C ATOM 977 O GLU A 76 -10.230 2.614 7.819 1.00 0.57 O ATOM 978 CB GLU A 76 -11.668 0.134 9.359 1.00 0.55 C ATOM 979 CG GLU A 76 -13.120 0.346 8.945 1.00 1.11 C ATOM 980 CD GLU A 76 -14.054 -0.370 9.911 1.00 1.44 C ATOM 981 OE1 GLU A 76 -13.689 -0.513 11.098 1.00 1.74 O ATOM 982 OE2 GLU A 76 -15.150 -0.787 9.482 1.00 2.10 O ATOM 0 H GLU A 76 -9.202 0.316 9.615 1.00 0.41 H new ATOM 0 HA GLU A 76 -10.939 -0.484 7.440 1.00 0.42 H new ATOM 0 HB2 GLU A 76 -11.552 -0.862 9.787 1.00 0.55 H new ATOM 0 HB3 GLU A 76 -11.402 0.849 10.137 1.00 0.55 H new ATOM 0 HG2 GLU A 76 -13.349 1.412 8.929 1.00 1.11 H new ATOM 0 HG3 GLU A 76 -13.275 -0.028 7.933 1.00 1.11 H new ATOM 989 N PHE A 77 -11.890 1.713 6.594 1.00 0.42 N ATOM 990 CA PHE A 77 -12.182 2.949 5.877 1.00 0.51 C ATOM 991 C PHE A 77 -13.647 3.005 5.470 1.00 0.57 C ATOM 992 O PHE A 77 -14.009 2.580 4.373 1.00 0.60 O ATOM 993 CB PHE A 77 -11.303 3.046 4.635 1.00 0.55 C ATOM 994 CG PHE A 77 -9.842 3.233 4.960 1.00 0.72 C ATOM 995 CD1 PHE A 77 -9.449 4.228 5.839 1.00 1.30 C ATOM 996 CD2 PHE A 77 -8.891 2.409 4.379 1.00 1.60 C ATOM 997 CE1 PHE A 77 -8.108 4.400 6.137 1.00 1.44 C ATOM 998 CE2 PHE A 77 -7.550 2.581 4.677 1.00 1.88 C ATOM 999 CZ PHE A 77 -7.158 3.577 5.556 1.00 1.37 C ATOM 0 H PHE A 77 -12.478 0.923 6.330 1.00 0.42 H new ATOM 0 HA PHE A 77 -11.973 3.788 6.540 1.00 0.51 H new ATOM 0 HB2 PHE A 77 -11.424 2.141 4.039 1.00 0.55 H new ATOM 0 HB3 PHE A 77 -11.642 3.880 4.021 1.00 0.55 H new ATOM 0 HD1 PHE A 77 -10.189 4.870 6.293 1.00 1.30 H new ATOM 0 HD2 PHE A 77 -9.196 1.632 3.693 1.00 1.60 H new ATOM 0 HE1 PHE A 77 -7.803 5.176 6.823 1.00 1.44 H new ATOM 0 HE2 PHE A 77 -6.809 1.938 4.224 1.00 1.88 H new ATOM 0 HZ PHE A 77 -6.112 3.712 5.788 1.00 1.37 H new ATOM 1009 N ILE A 78 -14.487 3.550 6.343 1.00 0.70 N ATOM 1010 CA ILE A 78 -15.906 3.676 6.044 1.00 0.80 C ATOM 1011 C ILE A 78 -16.149 5.004 5.353 1.00 1.08 C ATOM 1012 O ILE A 78 -16.238 6.051 5.995 1.00 1.37 O ATOM 1013 CB ILE A 78 -16.740 3.574 7.315 1.00 0.92 C ATOM 1014 CG1 ILE A 78 -16.472 2.236 8.005 1.00 0.86 C ATOM 1015 CG2 ILE A 78 -18.228 3.732 6.991 1.00 1.09 C ATOM 1016 CD1 ILE A 78 -17.413 2.011 9.184 1.00 1.17 C ATOM 0 H ILE A 78 -14.211 3.909 7.257 1.00 0.70 H new ATOM 0 HA ILE A 78 -16.207 2.862 5.385 1.00 0.80 H new ATOM 0 HB ILE A 78 -16.456 4.378 7.993 1.00 0.92 H new ATOM 0 HG12 ILE A 78 -16.590 1.426 7.286 1.00 0.86 H new ATOM 0 HG13 ILE A 78 -15.439 2.206 8.353 1.00 0.86 H new ATOM 0 HG21 ILE A 78 -18.810 3.657 7.909 1.00 1.09 H new ATOM 0 HG22 ILE A 78 -18.399 4.706 6.532 1.00 1.09 H new ATOM 0 HG23 ILE A 78 -18.536 2.946 6.301 1.00 1.09 H new ATOM 0 HD11 ILE A 78 -17.191 1.050 9.648 1.00 1.17 H new ATOM 0 HD12 ILE A 78 -17.277 2.807 9.916 1.00 1.17 H new ATOM 0 HD13 ILE A 78 -18.445 2.015 8.832 1.00 1.17 H new ATOM 1028 N LEU A 79 -16.241 4.949 4.034 1.00 1.12 N ATOM 1029 CA LEU A 79 -16.456 6.135 3.225 1.00 1.45 C ATOM 1030 C LEU A 79 -17.511 5.849 2.174 1.00 1.46 C ATOM 1031 O LEU A 79 -17.759 4.694 1.833 1.00 1.61 O ATOM 1032 CB LEU A 79 -15.152 6.561 2.551 1.00 1.72 C ATOM 1033 CG LEU A 79 -14.330 5.357 2.090 1.00 1.99 C ATOM 1034 CD1 LEU A 79 -15.146 4.463 1.162 1.00 1.96 C ATOM 1035 CD2 LEU A 79 -13.061 5.823 1.386 1.00 2.62 C ATOM 0 H LEU A 79 -16.169 4.085 3.497 1.00 1.12 H new ATOM 0 HA LEU A 79 -16.797 6.946 3.869 1.00 1.45 H new ATOM 0 HB2 LEU A 79 -15.377 7.197 1.695 1.00 1.72 H new ATOM 0 HB3 LEU A 79 -14.562 7.159 3.246 1.00 1.72 H new ATOM 0 HG LEU A 79 -14.055 4.776 2.971 1.00 1.99 H new ATOM 0 HD11 LEU A 79 -14.539 3.614 0.848 1.00 1.96 H new ATOM 0 HD12 LEU A 79 -16.030 4.102 1.688 1.00 1.96 H new ATOM 0 HD13 LEU A 79 -15.453 5.033 0.285 1.00 1.96 H new ATOM 0 HD21 LEU A 79 -12.485 4.956 1.063 1.00 2.62 H new ATOM 0 HD22 LEU A 79 -13.327 6.426 0.518 1.00 2.62 H new ATOM 0 HD23 LEU A 79 -12.462 6.421 2.073 1.00 2.62 H new ATOM 1047 N ASP A 80 -18.130 6.899 1.659 1.00 1.45 N ATOM 1048 CA ASP A 80 -19.153 6.741 0.644 1.00 1.54 C ATOM 1049 C ASP A 80 -18.493 6.446 -0.697 1.00 1.65 C ATOM 1050 O ASP A 80 -17.544 7.125 -1.088 1.00 1.69 O ATOM 1051 CB ASP A 80 -19.999 8.007 0.553 1.00 1.77 C ATOM 1052 CG ASP A 80 -21.400 7.743 1.090 1.00 1.88 C ATOM 1053 OD1 ASP A 80 -22.023 6.748 0.665 1.00 2.34 O ATOM 1054 OD2 ASP A 80 -21.871 8.531 1.937 1.00 2.36 O ATOM 0 H ASP A 80 -17.942 7.865 1.927 1.00 1.45 H new ATOM 0 HA ASP A 80 -19.805 5.909 0.912 1.00 1.54 H new ATOM 0 HB2 ASP A 80 -19.529 8.809 1.122 1.00 1.77 H new ATOM 0 HB3 ASP A 80 -20.056 8.342 -0.483 1.00 1.77 H new ATOM 1059 N PRO A 81 -18.982 5.427 -1.424 1.00 2.11 N ATOM 1060 CA PRO A 81 -18.434 5.042 -2.725 1.00 2.37 C ATOM 1061 C PRO A 81 -19.105 5.792 -3.864 1.00 2.00 C ATOM 1062 O PRO A 81 -19.202 5.289 -4.983 1.00 2.54 O ATOM 1063 CB PRO A 81 -18.744 3.557 -2.809 1.00 3.25 C ATOM 1064 CG PRO A 81 -19.943 3.340 -1.934 1.00 3.44 C ATOM 1065 CD PRO A 81 -20.101 4.559 -1.049 1.00 2.74 C ATOM 0 HA PRO A 81 -17.372 5.272 -2.813 1.00 2.37 H new ATOM 0 HB2 PRO A 81 -18.951 3.258 -3.837 1.00 3.25 H new ATOM 0 HB3 PRO A 81 -17.898 2.961 -2.468 1.00 3.25 H new ATOM 0 HG2 PRO A 81 -20.836 3.191 -2.541 1.00 3.44 H new ATOM 0 HG3 PRO A 81 -19.816 2.443 -1.328 1.00 3.44 H new ATOM 0 HD2 PRO A 81 -21.059 5.051 -1.217 1.00 2.74 H new ATOM 0 HD3 PRO A 81 -20.060 4.292 0.007 1.00 2.74 H new ATOM 1073 N ASN A 82 -19.574 6.994 -3.569 1.00 1.35 N ATOM 1074 CA ASN A 82 -20.246 7.818 -4.561 1.00 1.48 C ATOM 1075 C ASN A 82 -19.206 8.539 -5.403 1.00 1.06 C ATOM 1076 O ASN A 82 -19.433 8.833 -6.577 1.00 1.27 O ATOM 1077 CB ASN A 82 -21.179 8.833 -3.885 1.00 1.81 C ATOM 1078 CG ASN A 82 -21.673 8.333 -2.521 1.00 2.35 C ATOM 1079 OD1 ASN A 82 -21.857 9.123 -1.595 1.00 3.17 O ATOM 1080 ND2 ASN A 82 -21.888 7.024 -2.393 1.00 2.22 N ATOM 0 H ASN A 82 -19.501 7.422 -2.646 1.00 1.35 H new ATOM 0 HA ASN A 82 -20.853 7.178 -5.201 1.00 1.48 H new ATOM 0 HB2 ASN A 82 -20.654 9.780 -3.757 1.00 1.81 H new ATOM 0 HB3 ASN A 82 -22.034 9.028 -4.532 1.00 1.81 H new ATOM 0 HD21 ASN A 82 -22.216 6.646 -1.505 1.00 2.22 H new ATOM 0 HD22 ASN A 82 -21.724 6.401 -3.183 1.00 2.22 H new ATOM 1087 N GLN A 83 -18.053 8.807 -4.797 1.00 0.70 N ATOM 1088 CA GLN A 83 -16.962 9.477 -5.488 1.00 0.67 C ATOM 1089 C GLN A 83 -16.181 8.470 -6.318 1.00 0.75 C ATOM 1090 O GLN A 83 -16.693 7.401 -6.652 1.00 1.17 O ATOM 1091 CB GLN A 83 -16.040 10.154 -4.479 1.00 0.93 C ATOM 1092 CG GLN A 83 -15.680 11.565 -4.929 1.00 1.34 C ATOM 1093 CD GLN A 83 -15.290 12.417 -3.730 1.00 2.05 C ATOM 1094 OE1 GLN A 83 -15.375 11.973 -2.586 1.00 2.58 O ATOM 1095 NE2 GLN A 83 -14.861 13.645 -3.994 1.00 2.66 N ATOM 0 H GLN A 83 -17.852 8.569 -3.826 1.00 0.70 H new ATOM 0 HA GLN A 83 -17.375 10.238 -6.150 1.00 0.67 H new ATOM 0 HB2 GLN A 83 -16.527 10.192 -3.505 1.00 0.93 H new ATOM 0 HB3 GLN A 83 -15.131 9.564 -4.358 1.00 0.93 H new ATOM 0 HG2 GLN A 83 -14.856 11.528 -5.641 1.00 1.34 H new ATOM 0 HG3 GLN A 83 -16.527 12.017 -5.445 1.00 1.34 H new ATOM 0 HE21 GLN A 83 -14.807 13.970 -4.959 1.00 2.66 H new ATOM 0 HE22 GLN A 83 -14.585 14.264 -3.232 1.00 2.66 H new ATOM 1104 N GLU A 84 -14.943 8.810 -6.652 1.00 0.82 N ATOM 1105 CA GLU A 84 -14.100 7.927 -7.446 1.00 1.02 C ATOM 1106 C GLU A 84 -13.121 7.178 -6.552 1.00 0.93 C ATOM 1107 O GLU A 84 -11.915 7.414 -6.611 1.00 1.28 O ATOM 1108 CB GLU A 84 -13.335 8.738 -8.488 1.00 1.32 C ATOM 1109 CG GLU A 84 -12.743 7.836 -9.566 1.00 1.45 C ATOM 1110 CD GLU A 84 -13.271 8.238 -10.936 1.00 1.95 C ATOM 1111 OE1 GLU A 84 -12.999 9.378 -11.368 1.00 2.46 O ATOM 1112 OE2 GLU A 84 -13.956 7.412 -11.576 1.00 2.47 O ATOM 0 H GLU A 84 -14.501 9.690 -6.386 1.00 0.82 H new ATOM 0 HA GLU A 84 -14.736 7.200 -7.952 1.00 1.02 H new ATOM 0 HB2 GLU A 84 -14.003 9.467 -8.947 1.00 1.32 H new ATOM 0 HB3 GLU A 84 -12.537 9.299 -8.001 1.00 1.32 H new ATOM 0 HG2 GLU A 84 -11.655 7.906 -9.552 1.00 1.45 H new ATOM 0 HG3 GLU A 84 -12.998 6.796 -9.361 1.00 1.45 H new ATOM 1119 N ASN A 85 -13.644 6.273 -5.725 1.00 0.71 N ATOM 1120 CA ASN A 85 -12.815 5.484 -4.819 1.00 0.64 C ATOM 1121 C ASN A 85 -11.646 4.865 -5.570 1.00 0.58 C ATOM 1122 O ASN A 85 -11.756 3.762 -6.102 1.00 0.63 O ATOM 1123 CB ASN A 85 -13.660 4.386 -4.183 1.00 0.72 C ATOM 1124 CG ASN A 85 -14.711 5.004 -3.277 1.00 0.92 C ATOM 1125 OD1 ASN A 85 -15.096 6.159 -3.457 1.00 1.73 O ATOM 1126 ND2 ASN A 85 -15.179 4.237 -2.304 1.00 1.07 N ATOM 0 H ASN A 85 -14.642 6.069 -5.665 1.00 0.71 H new ATOM 0 HA ASN A 85 -12.421 6.138 -4.041 1.00 0.64 H new ATOM 0 HB2 ASN A 85 -14.141 3.789 -4.958 1.00 0.72 H new ATOM 0 HB3 ASN A 85 -13.024 3.711 -3.610 1.00 0.72 H new ATOM 0 HD21 ASN A 85 -15.888 4.598 -1.666 1.00 1.07 H new ATOM 0 HD22 ASN A 85 -14.830 3.285 -2.193 1.00 1.07 H new ATOM 1133 N VAL A 86 -10.529 5.580 -5.610 1.00 0.53 N ATOM 1134 CA VAL A 86 -9.337 5.098 -6.297 1.00 0.51 C ATOM 1135 C VAL A 86 -8.250 4.771 -5.286 1.00 0.48 C ATOM 1136 O VAL A 86 -7.464 5.636 -4.903 1.00 0.50 O ATOM 1137 CB VAL A 86 -8.833 6.152 -7.277 1.00 0.54 C ATOM 1138 CG1 VAL A 86 -7.580 5.662 -7.997 1.00 0.58 C ATOM 1139 CG2 VAL A 86 -9.922 6.504 -8.286 1.00 0.63 C ATOM 0 H VAL A 86 -10.423 6.496 -5.175 1.00 0.53 H new ATOM 0 HA VAL A 86 -9.592 4.194 -6.850 1.00 0.51 H new ATOM 0 HB VAL A 86 -8.577 7.049 -6.714 1.00 0.54 H new ATOM 0 HG11 VAL A 86 -7.236 6.428 -8.692 1.00 0.58 H new ATOM 0 HG12 VAL A 86 -6.797 5.457 -7.267 1.00 0.58 H new ATOM 0 HG13 VAL A 86 -7.810 4.750 -8.548 1.00 0.58 H new ATOM 0 HG21 VAL A 86 -9.547 7.258 -8.978 1.00 0.63 H new ATOM 0 HG22 VAL A 86 -10.206 5.610 -8.841 1.00 0.63 H new ATOM 0 HG23 VAL A 86 -10.792 6.896 -7.760 1.00 0.63 H new ATOM 1149 N LEU A 87 -8.211 3.517 -4.855 1.00 0.46 N ATOM 1150 CA LEU A 87 -7.219 3.076 -3.886 1.00 0.44 C ATOM 1151 C LEU A 87 -5.817 3.301 -4.433 1.00 0.45 C ATOM 1152 O LEU A 87 -5.267 2.450 -5.131 1.00 0.48 O ATOM 1153 CB LEU A 87 -7.425 1.601 -3.567 1.00 0.47 C ATOM 1154 CG LEU A 87 -6.483 1.144 -2.461 1.00 0.47 C ATOM 1155 CD1 LEU A 87 -7.087 1.432 -1.090 1.00 0.50 C ATOM 1156 CD2 LEU A 87 -6.175 -0.344 -2.607 1.00 0.53 C ATOM 0 H LEU A 87 -8.855 2.788 -5.162 1.00 0.46 H new ATOM 0 HA LEU A 87 -7.336 3.656 -2.971 1.00 0.44 H new ATOM 0 HB2 LEU A 87 -8.458 1.432 -3.262 1.00 0.47 H new ATOM 0 HB3 LEU A 87 -7.255 1.004 -4.463 1.00 0.47 H new ATOM 0 HG LEU A 87 -5.551 1.702 -2.549 1.00 0.47 H new ATOM 0 HD11 LEU A 87 -6.400 1.099 -0.312 1.00 0.50 H new ATOM 0 HD12 LEU A 87 -7.260 2.503 -0.986 1.00 0.50 H new ATOM 0 HD13 LEU A 87 -8.033 0.900 -0.990 1.00 0.50 H new ATOM 0 HD21 LEU A 87 -5.501 -0.656 -1.809 1.00 0.53 H new ATOM 0 HD22 LEU A 87 -7.101 -0.915 -2.543 1.00 0.53 H new ATOM 0 HD23 LEU A 87 -5.703 -0.525 -3.573 1.00 0.53 H new ATOM 1168 N GLU A 88 -5.250 4.458 -4.112 1.00 0.47 N ATOM 1169 CA GLU A 88 -3.912 4.817 -4.570 1.00 0.52 C ATOM 1170 C GLU A 88 -2.868 4.454 -3.523 1.00 0.49 C ATOM 1171 O GLU A 88 -2.463 5.292 -2.717 1.00 0.51 O ATOM 1172 CB GLU A 88 -3.849 6.313 -4.865 1.00 0.62 C ATOM 1173 CG GLU A 88 -5.067 6.768 -5.666 1.00 0.60 C ATOM 1174 CD GLU A 88 -4.648 7.745 -6.756 1.00 0.75 C ATOM 1175 OE1 GLU A 88 -3.559 8.344 -6.633 1.00 1.33 O ATOM 1176 OE2 GLU A 88 -5.410 7.911 -7.732 1.00 1.41 O ATOM 0 H GLU A 88 -5.699 5.168 -3.533 1.00 0.47 H new ATOM 0 HA GLU A 88 -3.698 4.258 -5.481 1.00 0.52 H new ATOM 0 HB2 GLU A 88 -3.797 6.869 -3.929 1.00 0.62 H new ATOM 0 HB3 GLU A 88 -2.939 6.539 -5.421 1.00 0.62 H new ATOM 0 HG2 GLU A 88 -5.560 5.905 -6.112 1.00 0.60 H new ATOM 0 HG3 GLU A 88 -5.791 7.241 -5.003 1.00 0.60 H new ATOM 1183 N ILE A 89 -2.420 3.204 -3.553 1.00 0.46 N ATOM 1184 CA ILE A 89 -1.403 2.736 -2.621 1.00 0.44 C ATOM 1185 C ILE A 89 -0.040 3.084 -3.186 1.00 0.46 C ATOM 1186 O ILE A 89 0.060 3.482 -4.343 1.00 0.48 O ATOM 1187 CB ILE A 89 -1.511 1.226 -2.432 1.00 0.45 C ATOM 1188 CG1 ILE A 89 -2.971 0.803 -2.304 1.00 0.45 C ATOM 1189 CG2 ILE A 89 -0.715 0.778 -1.210 1.00 0.46 C ATOM 1190 CD1 ILE A 89 -3.443 0.074 -3.559 1.00 0.46 C ATOM 0 H ILE A 89 -2.745 2.497 -4.213 1.00 0.46 H new ATOM 0 HA ILE A 89 -1.545 3.215 -1.652 1.00 0.44 H new ATOM 0 HB ILE A 89 -1.089 0.741 -3.313 1.00 0.45 H new ATOM 0 HG12 ILE A 89 -3.090 0.154 -1.436 1.00 0.45 H new ATOM 0 HG13 ILE A 89 -3.594 1.681 -2.134 1.00 0.45 H new ATOM 0 HG21 ILE A 89 -0.805 -0.302 -1.093 1.00 0.46 H new ATOM 0 HG22 ILE A 89 0.334 1.042 -1.342 1.00 0.46 H new ATOM 0 HG23 ILE A 89 -1.105 1.273 -0.320 1.00 0.46 H new ATOM 0 HD11 ILE A 89 -4.487 -0.216 -3.440 1.00 0.46 H new ATOM 0 HD12 ILE A 89 -3.345 0.734 -4.421 1.00 0.46 H new ATOM 0 HD13 ILE A 89 -2.834 -0.817 -3.713 1.00 0.46 H new ATOM 1202 N THR A 90 1.011 2.946 -2.391 1.00 0.46 N ATOM 1203 CA THR A 90 2.341 3.269 -2.883 1.00 0.48 C ATOM 1204 C THR A 90 3.428 2.632 -2.025 1.00 0.47 C ATOM 1205 O THR A 90 3.686 3.072 -0.904 1.00 0.48 O ATOM 1206 CB THR A 90 2.518 4.784 -2.919 1.00 0.50 C ATOM 1207 OG1 THR A 90 1.262 5.413 -3.128 1.00 0.50 O ATOM 1208 CG2 THR A 90 3.483 5.187 -4.027 1.00 0.53 C ATOM 0 H THR A 90 0.972 2.620 -1.425 1.00 0.46 H new ATOM 0 HA THR A 90 2.439 2.864 -3.890 1.00 0.48 H new ATOM 0 HB THR A 90 2.931 5.105 -1.963 1.00 0.50 H new ATOM 0 HG1 THR A 90 1.383 6.385 -3.149 1.00 0.50 H new ATOM 0 HG21 THR A 90 3.595 6.271 -4.035 1.00 0.53 H new ATOM 0 HG22 THR A 90 4.454 4.723 -3.851 1.00 0.53 H new ATOM 0 HG23 THR A 90 3.092 4.855 -4.989 1.00 0.53 H new ATOM 1216 N LEU A 91 4.092 1.620 -2.577 1.00 0.47 N ATOM 1217 CA LEU A 91 5.186 0.952 -1.884 1.00 0.47 C ATOM 1218 C LEU A 91 6.433 1.783 -2.110 1.00 0.42 C ATOM 1219 O LEU A 91 6.927 1.887 -3.232 1.00 0.41 O ATOM 1220 CB LEU A 91 5.357 -0.477 -2.414 1.00 0.48 C ATOM 1221 CG LEU A 91 6.672 -1.123 -1.963 1.00 0.50 C ATOM 1222 CD1 LEU A 91 7.826 -0.674 -2.852 1.00 0.46 C ATOM 1223 CD2 LEU A 91 6.971 -0.809 -0.496 1.00 0.54 C ATOM 0 H LEU A 91 3.890 1.245 -3.504 1.00 0.47 H new ATOM 0 HA LEU A 91 4.984 0.869 -0.816 1.00 0.47 H new ATOM 0 HB2 LEU A 91 4.521 -1.089 -2.074 1.00 0.48 H new ATOM 0 HB3 LEU A 91 5.319 -0.463 -3.503 1.00 0.48 H new ATOM 0 HG LEU A 91 6.561 -2.203 -2.059 1.00 0.50 H new ATOM 0 HD11 LEU A 91 8.750 -1.144 -2.514 1.00 0.46 H new ATOM 0 HD12 LEU A 91 7.626 -0.966 -3.883 1.00 0.46 H new ATOM 0 HD13 LEU A 91 7.929 0.410 -2.795 1.00 0.46 H new ATOM 0 HD21 LEU A 91 7.910 -1.281 -0.207 1.00 0.54 H new ATOM 0 HD22 LEU A 91 7.052 0.270 -0.364 1.00 0.54 H new ATOM 0 HD23 LEU A 91 6.165 -1.192 0.130 1.00 0.54 H new ATOM 1235 N MET A 92 6.903 2.426 -1.052 1.00 0.44 N ATOM 1236 CA MET A 92 8.052 3.309 -1.158 1.00 0.41 C ATOM 1237 C MET A 92 9.202 2.863 -0.277 1.00 0.38 C ATOM 1238 O MET A 92 9.153 1.813 0.375 1.00 0.41 O ATOM 1239 CB MET A 92 7.631 4.716 -0.768 1.00 0.44 C ATOM 1240 CG MET A 92 6.426 5.177 -1.583 1.00 0.47 C ATOM 1241 SD MET A 92 6.208 6.961 -1.526 1.00 0.55 S ATOM 1242 CE MET A 92 7.869 7.501 -1.952 1.00 0.53 C ATOM 0 H MET A 92 6.508 2.353 -0.114 1.00 0.44 H new ATOM 0 HA MET A 92 8.402 3.282 -2.190 1.00 0.41 H new ATOM 0 HB2 MET A 92 7.387 4.744 0.294 1.00 0.44 H new ATOM 0 HB3 MET A 92 8.463 5.403 -0.923 1.00 0.44 H new ATOM 0 HG2 MET A 92 6.548 4.861 -2.619 1.00 0.47 H new ATOM 0 HG3 MET A 92 5.527 4.691 -1.205 1.00 0.47 H new ATOM 0 HE1 MET A 92 7.814 8.413 -2.546 1.00 0.53 H new ATOM 0 HE2 MET A 92 8.434 7.695 -1.040 1.00 0.53 H new ATOM 0 HE3 MET A 92 8.368 6.722 -2.529 1.00 0.53 H new ATOM 1252 N ASP A 93 10.236 3.693 -0.266 1.00 0.38 N ATOM 1253 CA ASP A 93 11.428 3.442 0.517 1.00 0.38 C ATOM 1254 C ASP A 93 11.629 4.568 1.520 1.00 0.60 C ATOM 1255 O ASP A 93 11.879 5.712 1.144 1.00 0.83 O ATOM 1256 CB ASP A 93 12.639 3.333 -0.405 1.00 0.50 C ATOM 1257 CG ASP A 93 13.731 2.500 0.249 1.00 0.79 C ATOM 1258 OD1 ASP A 93 13.610 1.256 0.249 1.00 1.46 O ATOM 1259 OD2 ASP A 93 14.706 3.090 0.759 1.00 1.01 O ATOM 0 H ASP A 93 10.267 4.560 -0.803 1.00 0.38 H new ATOM 0 HA ASP A 93 11.314 2.503 1.059 1.00 0.38 H new ATOM 0 HB2 ASP A 93 12.344 2.879 -1.351 1.00 0.50 H new ATOM 0 HB3 ASP A 93 13.020 4.328 -0.634 1.00 0.50 H new ATOM 1264 N ALA A 94 11.508 4.242 2.797 1.00 0.69 N ATOM 1265 CA ALA A 94 11.663 5.225 3.858 1.00 0.96 C ATOM 1266 C ALA A 94 13.123 5.634 4.000 1.00 1.07 C ATOM 1267 O ALA A 94 13.958 4.851 4.452 1.00 1.15 O ATOM 1268 CB ALA A 94 11.143 4.645 5.169 1.00 1.10 C ATOM 0 H ALA A 94 11.302 3.299 3.125 1.00 0.69 H new ATOM 0 HA ALA A 94 11.086 6.114 3.606 1.00 0.96 H new ATOM 0 HB1 ALA A 94 11.259 5.381 5.964 1.00 1.10 H new ATOM 0 HB2 ALA A 94 10.089 4.390 5.061 1.00 1.10 H new ATOM 0 HB3 ALA A 94 11.709 3.748 5.420 1.00 1.10 H new ATOM 1274 N ASN A 95 13.424 6.866 3.608 1.00 1.25 N ATOM 1275 CA ASN A 95 14.784 7.384 3.690 1.00 1.43 C ATOM 1276 C ASN A 95 14.931 8.277 4.914 1.00 1.70 C ATOM 1277 O ASN A 95 14.082 8.267 5.805 1.00 1.90 O ATOM 1278 CB ASN A 95 15.119 8.164 2.422 1.00 1.48 C ATOM 1279 CG ASN A 95 14.838 7.308 1.195 1.00 1.44 C ATOM 1280 OD1 ASN A 95 14.245 6.234 1.299 1.00 1.66 O ATOM 1281 ND2 ASN A 95 15.266 7.781 0.031 1.00 1.78 N ATOM 0 H ASN A 95 12.744 7.525 3.230 1.00 1.25 H new ATOM 0 HA ASN A 95 15.478 6.549 3.784 1.00 1.43 H new ATOM 0 HB2 ASN A 95 14.527 9.079 2.381 1.00 1.48 H new ATOM 0 HB3 ASN A 95 16.167 8.463 2.435 1.00 1.48 H new ATOM 0 HD21 ASN A 95 15.108 7.249 -0.825 1.00 1.78 H new ATOM 0 HD22 ASN A 95 15.753 8.676 -0.008 1.00 1.78 H new ATOM 1288 N TYR A 96 16.012 9.047 4.957 1.00 1.94 N ATOM 1289 CA TYR A 96 16.266 9.942 6.081 1.00 2.25 C ATOM 1290 C TYR A 96 16.138 11.409 5.661 1.00 2.39 C ATOM 1291 O TYR A 96 16.219 12.306 6.500 1.00 2.65 O ATOM 1292 CB TYR A 96 17.654 9.667 6.663 1.00 2.44 C ATOM 1293 CG TYR A 96 18.780 10.254 5.845 1.00 2.89 C ATOM 1294 CD1 TYR A 96 19.115 9.703 4.620 1.00 3.32 C ATOM 1295 CD2 TYR A 96 19.480 11.348 6.324 1.00 3.62 C ATOM 1296 CE1 TYR A 96 20.148 10.247 3.876 1.00 4.27 C ATOM 1297 CE2 TYR A 96 20.512 11.890 5.580 1.00 4.54 C ATOM 1298 CZ TYR A 96 20.842 11.338 4.360 1.00 4.80 C ATOM 1299 OH TYR A 96 21.867 11.879 3.620 1.00 5.94 O ATOM 0 H TYR A 96 16.726 9.070 4.229 1.00 1.94 H new ATOM 0 HA TYR A 96 15.516 9.752 6.848 1.00 2.25 H new ATOM 0 HB2 TYR A 96 17.701 10.071 7.674 1.00 2.44 H new ATOM 0 HB3 TYR A 96 17.798 8.590 6.744 1.00 2.44 H new ATOM 0 HD1 TYR A 96 18.571 8.849 4.245 1.00 3.32 H new ATOM 0 HD2 TYR A 96 19.220 11.779 7.280 1.00 3.62 H new ATOM 0 HE1 TYR A 96 20.410 9.819 2.920 1.00 4.27 H new ATOM 0 HE2 TYR A 96 21.058 12.744 5.953 1.00 4.54 H new ATOM 0 HH TYR A 96 22.251 12.642 4.101 1.00 5.94 H new ATOM 1309 N VAL A 97 15.932 11.652 4.367 1.00 2.35 N ATOM 1310 CA VAL A 97 15.787 13.013 3.862 1.00 2.60 C ATOM 1311 C VAL A 97 14.569 13.107 2.955 1.00 2.35 C ATOM 1312 O VAL A 97 13.723 13.986 3.122 1.00 2.65 O ATOM 1313 CB VAL A 97 17.039 13.430 3.097 1.00 2.87 C ATOM 1314 CG1 VAL A 97 18.167 13.770 4.062 1.00 3.31 C ATOM 1315 CG2 VAL A 97 17.477 12.326 2.139 1.00 2.70 C ATOM 0 H VAL A 97 15.862 10.926 3.654 1.00 2.35 H new ATOM 0 HA VAL A 97 15.652 13.686 4.709 1.00 2.60 H new ATOM 0 HB VAL A 97 16.801 14.319 2.514 1.00 2.87 H new ATOM 0 HG11 VAL A 97 19.052 14.065 3.498 1.00 3.31 H new ATOM 0 HG12 VAL A 97 17.858 14.592 4.708 1.00 3.31 H new ATOM 0 HG13 VAL A 97 18.400 12.897 4.672 1.00 3.31 H new ATOM 0 HG21 VAL A 97 18.372 12.643 1.603 1.00 2.70 H new ATOM 0 HG22 VAL A 97 17.695 11.419 2.704 1.00 2.70 H new ATOM 0 HG23 VAL A 97 16.678 12.126 1.425 1.00 2.70 H new ATOM 1325 N MET A 98 14.483 12.194 1.995 1.00 1.97 N ATOM 1326 CA MET A 98 13.365 12.169 1.060 1.00 1.76 C ATOM 1327 C MET A 98 13.037 10.736 0.669 1.00 1.58 C ATOM 1328 O MET A 98 13.916 9.976 0.260 1.00 2.12 O ATOM 1329 CB MET A 98 13.705 12.983 -0.185 1.00 1.81 C ATOM 1330 CG MET A 98 14.005 14.437 0.166 1.00 2.06 C ATOM 1331 SD MET A 98 13.804 15.538 -1.245 1.00 2.53 S ATOM 1332 CE MET A 98 15.513 16.000 -1.566 1.00 2.89 C ATOM 0 H MET A 98 15.175 11.460 1.844 1.00 1.97 H new ATOM 0 HA MET A 98 12.494 12.609 1.545 1.00 1.76 H new ATOM 0 HB2 MET A 98 14.567 12.542 -0.685 1.00 1.81 H new ATOM 0 HB3 MET A 98 12.873 12.941 -0.888 1.00 1.81 H new ATOM 0 HG2 MET A 98 13.344 14.758 0.971 1.00 2.06 H new ATOM 0 HG3 MET A 98 15.025 14.514 0.542 1.00 2.06 H new ATOM 0 HE1 MET A 98 15.552 16.682 -2.415 1.00 2.89 H new ATOM 0 HE2 MET A 98 15.928 16.492 -0.686 1.00 2.89 H new ATOM 0 HE3 MET A 98 16.095 15.106 -1.791 1.00 2.89 H new ATOM 1342 N ASP A 99 11.766 10.371 0.793 1.00 1.19 N ATOM 1343 CA ASP A 99 11.317 9.027 0.450 1.00 1.06 C ATOM 1344 C ASP A 99 11.535 8.762 -1.034 1.00 0.89 C ATOM 1345 O ASP A 99 11.616 9.694 -1.834 1.00 1.00 O ATOM 1346 CB ASP A 99 9.837 8.873 0.789 1.00 1.28 C ATOM 1347 CG ASP A 99 9.597 9.185 2.260 1.00 1.91 C ATOM 1348 OD1 ASP A 99 10.472 8.859 3.089 1.00 2.51 O ATOM 1349 OD2 ASP A 99 8.533 9.755 2.581 1.00 2.56 O ATOM 0 H ASP A 99 11.027 10.988 1.129 1.00 1.19 H new ATOM 0 HA ASP A 99 11.896 8.305 1.027 1.00 1.06 H new ATOM 0 HB2 ASP A 99 9.243 9.542 0.167 1.00 1.28 H new ATOM 0 HB3 ASP A 99 9.510 7.857 0.568 1.00 1.28 H new ATOM 1354 N GLU A 100 11.627 7.488 -1.399 1.00 0.72 N ATOM 1355 CA GLU A 100 11.832 7.108 -2.797 1.00 0.68 C ATOM 1356 C GLU A 100 10.832 6.036 -3.208 1.00 0.56 C ATOM 1357 O GLU A 100 10.905 4.899 -2.748 1.00 0.51 O ATOM 1358 CB GLU A 100 13.257 6.597 -2.997 1.00 0.91 C ATOM 1359 CG GLU A 100 14.204 7.738 -3.361 1.00 1.35 C ATOM 1360 CD GLU A 100 14.838 7.485 -4.722 1.00 1.76 C ATOM 1361 OE1 GLU A 100 14.110 7.531 -5.736 1.00 2.43 O ATOM 1362 OE2 GLU A 100 16.062 7.243 -4.772 1.00 2.15 O ATOM 0 H GLU A 100 11.564 6.702 -0.752 1.00 0.72 H new ATOM 0 HA GLU A 100 11.678 7.987 -3.423 1.00 0.68 H new ATOM 0 HB2 GLU A 100 13.603 6.110 -2.086 1.00 0.91 H new ATOM 0 HB3 GLU A 100 13.269 5.844 -3.785 1.00 0.91 H new ATOM 0 HG2 GLU A 100 13.658 8.682 -3.376 1.00 1.35 H new ATOM 0 HG3 GLU A 100 14.981 7.831 -2.602 1.00 1.35 H new ATOM 1369 N THR A 101 9.898 6.401 -4.079 1.00 0.53 N ATOM 1370 CA THR A 101 8.878 5.464 -4.540 1.00 0.45 C ATOM 1371 C THR A 101 9.506 4.372 -5.393 1.00 0.47 C ATOM 1372 O THR A 101 10.346 4.645 -6.251 1.00 0.63 O ATOM 1373 CB THR A 101 7.817 6.207 -5.346 1.00 0.47 C ATOM 1374 OG1 THR A 101 7.443 7.399 -4.673 1.00 0.51 O ATOM 1375 CG2 THR A 101 6.592 5.326 -5.571 1.00 0.50 C ATOM 0 H THR A 101 9.825 7.336 -4.480 1.00 0.53 H new ATOM 0 HA THR A 101 8.410 5.002 -3.671 1.00 0.45 H new ATOM 0 HB THR A 101 8.239 6.462 -6.318 1.00 0.47 H new ATOM 0 HG1 THR A 101 6.763 7.871 -5.197 1.00 0.51 H new ATOM 0 HG21 THR A 101 5.849 5.877 -6.148 1.00 0.50 H new ATOM 0 HG22 THR A 101 6.884 4.429 -6.118 1.00 0.50 H new ATOM 0 HG23 THR A 101 6.167 5.042 -4.609 1.00 0.50 H new ATOM 1383 N LEU A 102 9.102 3.131 -5.141 1.00 0.41 N ATOM 1384 CA LEU A 102 9.633 1.989 -5.876 1.00 0.44 C ATOM 1385 C LEU A 102 8.572 1.388 -6.792 1.00 0.47 C ATOM 1386 O LEU A 102 8.862 1.026 -7.932 1.00 0.61 O ATOM 1387 CB LEU A 102 10.144 0.936 -4.896 1.00 0.46 C ATOM 1388 CG LEU A 102 11.129 1.544 -3.901 1.00 0.41 C ATOM 1389 CD1 LEU A 102 11.287 0.648 -2.676 1.00 0.42 C ATOM 1390 CD2 LEU A 102 12.482 1.780 -4.568 1.00 0.54 C ATOM 0 H LEU A 102 8.408 2.891 -4.433 1.00 0.41 H new ATOM 0 HA LEU A 102 10.460 2.332 -6.498 1.00 0.44 H new ATOM 0 HB2 LEU A 102 9.304 0.497 -4.358 1.00 0.46 H new ATOM 0 HB3 LEU A 102 10.628 0.128 -5.445 1.00 0.46 H new ATOM 0 HG LEU A 102 10.731 2.504 -3.571 1.00 0.41 H new ATOM 0 HD11 LEU A 102 11.994 1.102 -1.982 1.00 0.42 H new ATOM 0 HD12 LEU A 102 10.321 0.529 -2.185 1.00 0.42 H new ATOM 0 HD13 LEU A 102 11.659 -0.329 -2.985 1.00 0.42 H new ATOM 0 HD21 LEU A 102 13.173 2.214 -3.845 1.00 0.54 H new ATOM 0 HD22 LEU A 102 12.881 0.831 -4.927 1.00 0.54 H new ATOM 0 HD23 LEU A 102 12.359 2.464 -5.408 1.00 0.54 H new ATOM 1402 N GLY A 103 7.343 1.282 -6.296 1.00 0.43 N ATOM 1403 CA GLY A 103 6.248 0.723 -7.084 1.00 0.48 C ATOM 1404 C GLY A 103 4.913 1.004 -6.415 1.00 0.44 C ATOM 1405 O GLY A 103 4.672 0.568 -5.294 1.00 0.68 O ATOM 0 H GLY A 103 7.080 1.575 -5.355 1.00 0.43 H new ATOM 0 HA2 GLY A 103 6.257 1.153 -8.086 1.00 0.48 H new ATOM 0 HA3 GLY A 103 6.386 -0.352 -7.197 1.00 0.48 H new ATOM 1409 N THR A 104 4.049 1.739 -7.106 1.00 0.58 N ATOM 1410 CA THR A 104 2.735 2.085 -6.572 1.00 0.55 C ATOM 1411 C THR A 104 1.650 1.250 -7.238 1.00 0.58 C ATOM 1412 O THR A 104 1.915 0.530 -8.201 1.00 0.68 O ATOM 1413 CB THR A 104 2.463 3.567 -6.806 1.00 0.55 C ATOM 1414 OG1 THR A 104 1.130 3.884 -6.443 1.00 0.57 O ATOM 1415 CG2 THR A 104 2.700 3.929 -8.264 1.00 0.61 C ATOM 0 H THR A 104 4.234 2.108 -8.039 1.00 0.58 H new ATOM 0 HA THR A 104 2.725 1.876 -5.502 1.00 0.55 H new ATOM 0 HB THR A 104 3.148 4.144 -6.185 1.00 0.55 H new ATOM 0 HG1 THR A 104 0.986 3.660 -5.500 1.00 0.57 H new ATOM 0 HG21 THR A 104 2.501 4.990 -8.412 1.00 0.61 H new ATOM 0 HG22 THR A 104 3.735 3.713 -8.529 1.00 0.61 H new ATOM 0 HG23 THR A 104 2.034 3.343 -8.897 1.00 0.61 H new ATOM 1423 N ALA A 105 0.426 1.350 -6.725 1.00 0.54 N ATOM 1424 CA ALA A 105 -0.694 0.603 -7.283 1.00 0.57 C ATOM 1425 C ALA A 105 -1.983 1.406 -7.172 1.00 0.54 C ATOM 1426 O ALA A 105 -2.126 2.250 -6.288 1.00 0.60 O ATOM 1427 CB ALA A 105 -0.846 -0.733 -6.560 1.00 0.60 C ATOM 0 H ALA A 105 0.187 1.939 -5.927 1.00 0.54 H new ATOM 0 HA ALA A 105 -0.493 0.416 -8.338 1.00 0.57 H new ATOM 0 HB1 ALA A 105 -1.686 -1.283 -6.985 1.00 0.60 H new ATOM 0 HB2 ALA A 105 0.067 -1.317 -6.678 1.00 0.60 H new ATOM 0 HB3 ALA A 105 -1.028 -0.555 -5.500 1.00 0.60 H new ATOM 1433 N THR A 106 -2.921 1.138 -8.076 1.00 0.57 N ATOM 1434 CA THR A 106 -4.205 1.834 -8.083 1.00 0.55 C ATOM 1435 C THR A 106 -5.330 0.869 -8.432 1.00 0.59 C ATOM 1436 O THR A 106 -5.215 0.082 -9.372 1.00 0.70 O ATOM 1437 CB THR A 106 -4.174 2.976 -9.094 1.00 0.60 C ATOM 1438 OG1 THR A 106 -3.991 2.462 -10.404 1.00 0.68 O ATOM 1439 CG2 THR A 106 -3.063 3.966 -8.760 1.00 0.62 C ATOM 0 H THR A 106 -2.816 0.443 -8.815 1.00 0.57 H new ATOM 0 HA THR A 106 -4.385 2.240 -7.088 1.00 0.55 H new ATOM 0 HB THR A 106 -5.128 3.502 -9.047 1.00 0.60 H new ATOM 0 HG1 THR A 106 -3.974 3.202 -11.046 1.00 0.68 H new ATOM 0 HG21 THR A 106 -3.060 4.771 -9.494 1.00 0.62 H new ATOM 0 HG22 THR A 106 -3.232 4.381 -7.767 1.00 0.62 H new ATOM 0 HG23 THR A 106 -2.101 3.454 -8.780 1.00 0.62 H new ATOM 1447 N PHE A 107 -6.420 0.931 -7.672 1.00 0.54 N ATOM 1448 CA PHE A 107 -7.566 0.055 -7.910 1.00 0.60 C ATOM 1449 C PHE A 107 -8.868 0.734 -7.505 1.00 0.57 C ATOM 1450 O PHE A 107 -9.076 1.042 -6.333 1.00 0.61 O ATOM 1451 CB PHE A 107 -7.406 -1.244 -7.127 1.00 0.65 C ATOM 1452 CG PHE A 107 -8.353 -2.323 -7.592 1.00 0.74 C ATOM 1453 CD1 PHE A 107 -9.721 -2.166 -7.430 1.00 1.44 C ATOM 1454 CD2 PHE A 107 -7.856 -3.469 -8.188 1.00 1.42 C ATOM 1455 CE1 PHE A 107 -10.588 -3.154 -7.865 1.00 1.55 C ATOM 1456 CE2 PHE A 107 -8.723 -4.459 -8.621 1.00 1.50 C ATOM 1457 CZ PHE A 107 -10.089 -4.301 -8.460 1.00 1.06 C ATOM 0 H PHE A 107 -6.535 1.575 -6.889 1.00 0.54 H new ATOM 0 HA PHE A 107 -7.605 -0.164 -8.977 1.00 0.60 H new ATOM 0 HB2 PHE A 107 -6.380 -1.599 -7.225 1.00 0.65 H new ATOM 0 HB3 PHE A 107 -7.575 -1.049 -6.068 1.00 0.65 H new ATOM 0 HD1 PHE A 107 -10.110 -1.273 -6.964 1.00 1.44 H new ATOM 0 HD2 PHE A 107 -6.791 -3.592 -8.316 1.00 1.42 H new ATOM 0 HE1 PHE A 107 -11.654 -3.030 -7.740 1.00 1.55 H new ATOM 0 HE2 PHE A 107 -8.333 -5.354 -9.084 1.00 1.50 H new ATOM 0 HZ PHE A 107 -10.765 -5.072 -8.798 1.00 1.06 H new ATOM 1467 N THR A 108 -9.752 0.947 -8.477 1.00 0.58 N ATOM 1468 CA THR A 108 -11.044 1.573 -8.208 1.00 0.58 C ATOM 1469 C THR A 108 -11.945 0.589 -7.471 1.00 0.60 C ATOM 1470 O THR A 108 -12.428 -0.383 -8.052 1.00 0.66 O ATOM 1471 CB THR A 108 -11.704 2.016 -9.511 1.00 0.63 C ATOM 1472 OG1 THR A 108 -10.751 2.031 -10.563 1.00 0.70 O ATOM 1473 CG2 THR A 108 -12.332 3.398 -9.356 1.00 0.70 C ATOM 0 H THR A 108 -9.598 0.697 -9.454 1.00 0.58 H new ATOM 0 HA THR A 108 -10.888 2.454 -7.585 1.00 0.58 H new ATOM 0 HB THR A 108 -12.492 1.303 -9.755 1.00 0.63 H new ATOM 0 HG1 THR A 108 -11.186 2.315 -11.394 1.00 0.70 H new ATOM 0 HG21 THR A 108 -12.797 3.694 -10.296 1.00 0.70 H new ATOM 0 HG22 THR A 108 -13.088 3.368 -8.571 1.00 0.70 H new ATOM 0 HG23 THR A 108 -11.561 4.120 -9.089 1.00 0.70 H new ATOM 1481 N VAL A 109 -12.144 0.832 -6.180 1.00 0.61 N ATOM 1482 CA VAL A 109 -12.959 -0.045 -5.345 1.00 0.65 C ATOM 1483 C VAL A 109 -14.434 0.355 -5.363 1.00 0.62 C ATOM 1484 O VAL A 109 -15.301 -0.452 -5.027 1.00 0.66 O ATOM 1485 CB VAL A 109 -12.431 -0.012 -3.915 1.00 0.76 C ATOM 1486 CG1 VAL A 109 -12.660 1.354 -3.282 1.00 0.79 C ATOM 1487 CG2 VAL A 109 -13.097 -1.092 -3.077 1.00 0.81 C ATOM 0 H VAL A 109 -11.750 1.633 -5.686 1.00 0.61 H new ATOM 0 HA VAL A 109 -12.890 -1.055 -5.749 1.00 0.65 H new ATOM 0 HB VAL A 109 -11.358 -0.202 -3.948 1.00 0.76 H new ATOM 0 HG11 VAL A 109 -12.275 1.352 -2.262 1.00 0.79 H new ATOM 0 HG12 VAL A 109 -12.142 2.116 -3.864 1.00 0.79 H new ATOM 0 HG13 VAL A 109 -13.728 1.573 -3.266 1.00 0.79 H new ATOM 0 HG21 VAL A 109 -12.708 -1.054 -2.059 1.00 0.81 H new ATOM 0 HG22 VAL A 109 -14.174 -0.927 -3.061 1.00 0.81 H new ATOM 0 HG23 VAL A 109 -12.886 -2.070 -3.510 1.00 0.81 H new ATOM 1497 N SER A 110 -14.722 1.596 -5.743 1.00 0.74 N ATOM 1498 CA SER A 110 -16.104 2.073 -5.784 1.00 0.75 C ATOM 1499 C SER A 110 -16.961 1.171 -6.668 1.00 0.74 C ATOM 1500 O SER A 110 -18.185 1.151 -6.543 1.00 0.83 O ATOM 1501 CB SER A 110 -16.159 3.509 -6.298 1.00 0.82 C ATOM 1502 OG SER A 110 -15.150 3.724 -7.275 1.00 0.93 O ATOM 0 H SER A 110 -14.025 2.286 -6.025 1.00 0.74 H new ATOM 0 HA SER A 110 -16.501 2.046 -4.769 1.00 0.75 H new ATOM 0 HB2 SER A 110 -17.140 3.711 -6.728 1.00 0.82 H new ATOM 0 HB3 SER A 110 -16.026 4.204 -5.469 1.00 0.82 H new ATOM 0 HG SER A 110 -15.198 4.648 -7.597 1.00 0.93 H new ATOM 1508 N SER A 111 -16.314 0.423 -7.559 1.00 0.78 N ATOM 1509 CA SER A 111 -17.023 -0.481 -8.459 1.00 0.87 C ATOM 1510 C SER A 111 -16.378 -1.862 -8.437 1.00 0.81 C ATOM 1511 O SER A 111 -15.631 -2.222 -9.347 1.00 0.98 O ATOM 1512 CB SER A 111 -17.006 0.078 -9.877 1.00 1.11 C ATOM 1513 OG SER A 111 -15.693 0.489 -10.230 1.00 1.49 O ATOM 0 H SER A 111 -15.301 0.426 -7.676 1.00 0.78 H new ATOM 0 HA SER A 111 -18.056 -0.571 -8.123 1.00 0.87 H new ATOM 0 HB2 SER A 111 -17.358 -0.679 -10.578 1.00 1.11 H new ATOM 0 HB3 SER A 111 -17.691 0.923 -9.950 1.00 1.11 H new ATOM 0 HG SER A 111 -15.077 -0.267 -10.133 1.00 1.49 H new ATOM 1519 N MET A 112 -16.666 -2.630 -7.391 1.00 0.71 N ATOM 1520 CA MET A 112 -16.110 -3.973 -7.249 1.00 0.75 C ATOM 1521 C MET A 112 -17.201 -4.971 -6.889 1.00 0.82 C ATOM 1522 O MET A 112 -18.366 -4.606 -6.734 1.00 0.92 O ATOM 1523 CB MET A 112 -15.034 -3.979 -6.168 1.00 0.73 C ATOM 1524 CG MET A 112 -13.639 -4.019 -6.779 1.00 1.10 C ATOM 1525 SD MET A 112 -12.754 -5.534 -6.371 1.00 1.76 S ATOM 1526 CE MET A 112 -12.853 -5.513 -4.574 1.00 1.30 C ATOM 0 H MET A 112 -17.281 -2.346 -6.629 1.00 0.71 H new ATOM 0 HA MET A 112 -15.669 -4.265 -8.202 1.00 0.75 H new ATOM 0 HB2 MET A 112 -15.136 -3.090 -5.545 1.00 0.73 H new ATOM 0 HB3 MET A 112 -15.174 -4.842 -5.517 1.00 0.73 H new ATOM 0 HG2 MET A 112 -13.717 -3.928 -7.862 1.00 1.10 H new ATOM 0 HG3 MET A 112 -13.066 -3.161 -6.427 1.00 1.10 H new ATOM 0 HE1 MET A 112 -11.850 -5.584 -4.153 1.00 1.30 H new ATOM 0 HE2 MET A 112 -13.319 -4.584 -4.246 1.00 1.30 H new ATOM 0 HE3 MET A 112 -13.450 -6.359 -4.233 1.00 1.30 H new ATOM 1536 N LYS A 113 -16.812 -6.235 -6.752 1.00 0.92 N ATOM 1537 CA LYS A 113 -17.751 -7.294 -6.402 1.00 1.11 C ATOM 1538 C LYS A 113 -17.708 -7.553 -4.902 1.00 0.86 C ATOM 1539 O LYS A 113 -17.430 -8.668 -4.460 1.00 1.06 O ATOM 1540 CB LYS A 113 -17.406 -8.571 -7.164 1.00 1.56 C ATOM 1541 CG LYS A 113 -17.986 -8.544 -8.575 1.00 1.85 C ATOM 1542 CD LYS A 113 -17.557 -7.284 -9.323 1.00 1.89 C ATOM 1543 CE LYS A 113 -16.040 -7.219 -9.470 1.00 1.86 C ATOM 1544 NZ LYS A 113 -15.631 -7.302 -10.901 1.00 2.24 N ATOM 0 H LYS A 113 -15.850 -6.551 -6.879 1.00 0.92 H new ATOM 0 HA LYS A 113 -18.758 -6.980 -6.677 1.00 1.11 H new ATOM 0 HB2 LYS A 113 -16.323 -8.686 -7.215 1.00 1.56 H new ATOM 0 HB3 LYS A 113 -17.794 -9.435 -6.625 1.00 1.56 H new ATOM 0 HG2 LYS A 113 -17.656 -9.426 -9.124 1.00 1.85 H new ATOM 0 HG3 LYS A 113 -19.074 -8.588 -8.525 1.00 1.85 H new ATOM 0 HD2 LYS A 113 -18.022 -7.267 -10.309 1.00 1.89 H new ATOM 0 HD3 LYS A 113 -17.911 -6.402 -8.789 1.00 1.89 H new ATOM 0 HE2 LYS A 113 -15.670 -6.290 -9.037 1.00 1.86 H new ATOM 0 HE3 LYS A 113 -15.583 -8.035 -8.911 1.00 1.86 H new ATOM 0 HZ1 LYS A 113 -14.594 -7.255 -10.969 1.00 2.24 H new ATOM 0 HZ2 LYS A 113 -15.964 -8.200 -11.306 1.00 2.24 H new ATOM 0 HZ3 LYS A 113 -16.049 -6.509 -11.428 1.00 2.24 H new ATOM 1558 N VAL A 114 -17.981 -6.509 -4.124 1.00 0.61 N ATOM 1559 CA VAL A 114 -17.975 -6.598 -2.665 1.00 0.65 C ATOM 1560 C VAL A 114 -18.658 -7.877 -2.189 1.00 0.70 C ATOM 1561 O VAL A 114 -19.603 -8.359 -2.813 1.00 1.09 O ATOM 1562 CB VAL A 114 -18.675 -5.370 -2.081 1.00 1.18 C ATOM 1563 CG1 VAL A 114 -20.047 -5.183 -2.719 1.00 1.80 C ATOM 1564 CG2 VAL A 114 -18.807 -5.484 -0.563 1.00 1.73 C ATOM 0 H VAL A 114 -18.211 -5.583 -4.483 1.00 0.61 H new ATOM 0 HA VAL A 114 -16.942 -6.627 -2.319 1.00 0.65 H new ATOM 0 HB VAL A 114 -18.063 -4.496 -2.305 1.00 1.18 H new ATOM 0 HG11 VAL A 114 -20.530 -4.305 -2.291 1.00 1.80 H new ATOM 0 HG12 VAL A 114 -19.933 -5.047 -3.794 1.00 1.80 H new ATOM 0 HG13 VAL A 114 -20.660 -6.064 -2.528 1.00 1.80 H new ATOM 0 HG21 VAL A 114 -19.308 -4.598 -0.174 1.00 1.73 H new ATOM 0 HG22 VAL A 114 -19.391 -6.370 -0.314 1.00 1.73 H new ATOM 0 HG23 VAL A 114 -17.816 -5.566 -0.117 1.00 1.73 H new ATOM 1574 N GLY A 115 -18.168 -8.420 -1.077 1.00 0.61 N ATOM 1575 CA GLY A 115 -18.726 -9.642 -0.511 1.00 0.78 C ATOM 1576 C GLY A 115 -17.648 -10.489 0.163 1.00 0.73 C ATOM 1577 O GLY A 115 -17.962 -11.415 0.912 1.00 0.86 O ATOM 0 H GLY A 115 -17.385 -8.032 -0.551 1.00 0.61 H new ATOM 0 HA2 GLY A 115 -19.498 -9.388 0.215 1.00 0.78 H new ATOM 0 HA3 GLY A 115 -19.207 -10.222 -1.298 1.00 0.78 H new ATOM 1581 N GLU A 116 -16.377 -10.184 -0.107 1.00 0.64 N ATOM 1582 CA GLU A 116 -15.274 -10.942 0.479 1.00 0.70 C ATOM 1583 C GLU A 116 -13.976 -10.135 0.432 1.00 0.62 C ATOM 1584 O GLU A 116 -13.970 -8.968 0.032 1.00 0.56 O ATOM 1585 CB GLU A 116 -15.102 -12.250 -0.289 1.00 0.90 C ATOM 1586 CG GLU A 116 -14.573 -13.363 0.610 1.00 1.12 C ATOM 1587 CD GLU A 116 -15.415 -14.621 0.447 1.00 1.39 C ATOM 1588 OE1 GLU A 116 -15.458 -15.166 -0.676 1.00 1.85 O ATOM 1589 OE2 GLU A 116 -16.030 -15.060 1.441 1.00 1.91 O ATOM 0 H GLU A 116 -16.089 -9.423 -0.723 1.00 0.64 H new ATOM 0 HA GLU A 116 -15.505 -11.154 1.523 1.00 0.70 H new ATOM 0 HB2 GLU A 116 -16.059 -12.550 -0.716 1.00 0.90 H new ATOM 0 HB3 GLU A 116 -14.415 -12.096 -1.121 1.00 0.90 H new ATOM 0 HG2 GLU A 116 -13.534 -13.578 0.360 1.00 1.12 H new ATOM 0 HG3 GLU A 116 -14.590 -13.038 1.650 1.00 1.12 H new ATOM 1596 N LYS A 117 -12.877 -10.772 0.840 1.00 0.67 N ATOM 1597 CA LYS A 117 -11.565 -10.136 0.842 1.00 0.63 C ATOM 1598 C LYS A 117 -10.986 -10.153 -0.565 1.00 0.59 C ATOM 1599 O LYS A 117 -11.574 -10.739 -1.474 1.00 0.66 O ATOM 1600 CB LYS A 117 -10.632 -10.874 1.797 1.00 0.71 C ATOM 1601 CG LYS A 117 -10.038 -9.927 2.834 1.00 0.79 C ATOM 1602 CD LYS A 117 -8.709 -10.454 3.365 1.00 1.10 C ATOM 1603 CE LYS A 117 -8.904 -11.206 4.678 1.00 1.37 C ATOM 1604 NZ LYS A 117 -7.641 -11.864 5.118 1.00 2.01 N ATOM 0 H LYS A 117 -12.874 -11.735 1.175 1.00 0.67 H new ATOM 0 HA LYS A 117 -11.667 -9.103 1.175 1.00 0.63 H new ATOM 0 HB2 LYS A 117 -11.180 -11.671 2.300 1.00 0.71 H new ATOM 0 HB3 LYS A 117 -9.829 -11.347 1.231 1.00 0.71 H new ATOM 0 HG2 LYS A 117 -9.890 -8.943 2.389 1.00 0.79 H new ATOM 0 HG3 LYS A 117 -10.739 -9.802 3.660 1.00 0.79 H new ATOM 0 HD2 LYS A 117 -8.255 -11.115 2.627 1.00 1.10 H new ATOM 0 HD3 LYS A 117 -8.019 -9.624 3.516 1.00 1.10 H new ATOM 0 HE2 LYS A 117 -9.244 -10.514 5.449 1.00 1.37 H new ATOM 0 HE3 LYS A 117 -9.685 -11.957 4.557 1.00 1.37 H new ATOM 0 HZ1 LYS A 117 -7.848 -12.830 5.444 1.00 2.01 H new ATOM 0 HZ2 LYS A 117 -6.974 -11.903 4.321 1.00 2.01 H new ATOM 0 HZ3 LYS A 117 -7.218 -11.319 5.896 1.00 2.01 H new ATOM 1618 N LYS A 118 -9.841 -9.504 -0.755 1.00 0.52 N ATOM 1619 CA LYS A 118 -9.217 -9.457 -2.073 1.00 0.52 C ATOM 1620 C LYS A 118 -7.699 -9.533 -1.983 1.00 0.53 C ATOM 1621 O LYS A 118 -7.040 -8.559 -1.622 1.00 0.91 O ATOM 1622 CB LYS A 118 -9.620 -8.171 -2.781 1.00 0.50 C ATOM 1623 CG LYS A 118 -11.089 -8.210 -3.193 1.00 0.54 C ATOM 1624 CD LYS A 118 -11.266 -8.876 -4.554 1.00 0.75 C ATOM 1625 CE LYS A 118 -10.438 -8.174 -5.626 1.00 0.90 C ATOM 1626 NZ LYS A 118 -11.062 -8.320 -6.973 1.00 1.22 N ATOM 0 H LYS A 118 -9.332 -9.009 -0.023 1.00 0.52 H new ATOM 0 HA LYS A 118 -9.563 -10.323 -2.638 1.00 0.52 H new ATOM 0 HB2 LYS A 118 -9.446 -7.320 -2.123 1.00 0.50 H new ATOM 0 HB3 LYS A 118 -8.995 -8.026 -3.662 1.00 0.50 H new ATOM 0 HG2 LYS A 118 -11.665 -8.752 -2.443 1.00 0.54 H new ATOM 0 HG3 LYS A 118 -11.486 -7.196 -3.228 1.00 0.54 H new ATOM 0 HD2 LYS A 118 -10.970 -9.923 -4.490 1.00 0.75 H new ATOM 0 HD3 LYS A 118 -12.319 -8.859 -4.835 1.00 0.75 H new ATOM 0 HE2 LYS A 118 -10.342 -7.117 -5.380 1.00 0.90 H new ATOM 0 HE3 LYS A 118 -9.431 -8.591 -5.642 1.00 0.90 H new ATOM 0 HZ1 LYS A 118 -10.321 -8.298 -7.703 1.00 1.22 H new ATOM 0 HZ2 LYS A 118 -11.571 -9.226 -7.023 1.00 1.22 H new ATOM 0 HZ3 LYS A 118 -11.729 -7.538 -7.133 1.00 1.22 H new ATOM 1640 N GLU A 119 -7.147 -10.687 -2.346 1.00 0.49 N ATOM 1641 CA GLU A 119 -5.701 -10.883 -2.340 1.00 0.48 C ATOM 1642 C GLU A 119 -5.133 -10.425 -3.676 1.00 0.49 C ATOM 1643 O GLU A 119 -5.084 -11.192 -4.637 1.00 0.61 O ATOM 1644 CB GLU A 119 -5.369 -12.354 -2.107 1.00 0.53 C ATOM 1645 CG GLU A 119 -5.522 -12.730 -0.636 1.00 0.61 C ATOM 1646 CD GLU A 119 -5.977 -14.178 -0.508 1.00 1.26 C ATOM 1647 OE1 GLU A 119 -5.955 -14.900 -1.527 1.00 1.98 O ATOM 1648 OE2 GLU A 119 -6.353 -14.588 0.610 1.00 1.85 O ATOM 0 H GLU A 119 -7.680 -11.502 -2.649 1.00 0.49 H new ATOM 0 HA GLU A 119 -5.258 -10.298 -1.534 1.00 0.48 H new ATOM 0 HB2 GLU A 119 -6.025 -12.978 -2.714 1.00 0.53 H new ATOM 0 HB3 GLU A 119 -4.348 -12.555 -2.432 1.00 0.53 H new ATOM 0 HG2 GLU A 119 -4.573 -12.592 -0.117 1.00 0.61 H new ATOM 0 HG3 GLU A 119 -6.246 -12.070 -0.158 1.00 0.61 H new ATOM 1655 N VAL A 120 -4.732 -9.160 -3.739 1.00 0.42 N ATOM 1656 CA VAL A 120 -4.199 -8.585 -4.972 1.00 0.45 C ATOM 1657 C VAL A 120 -2.685 -8.768 -5.065 1.00 0.42 C ATOM 1658 O VAL A 120 -1.939 -8.230 -4.245 1.00 0.43 O ATOM 1659 CB VAL A 120 -4.526 -7.092 -5.045 1.00 0.49 C ATOM 1660 CG1 VAL A 120 -4.470 -6.603 -6.488 1.00 0.60 C ATOM 1661 CG2 VAL A 120 -5.899 -6.798 -4.440 1.00 0.48 C ATOM 0 H VAL A 120 -4.765 -8.512 -2.952 1.00 0.42 H new ATOM 0 HA VAL A 120 -4.667 -9.109 -5.805 1.00 0.45 H new ATOM 0 HB VAL A 120 -3.776 -6.556 -4.463 1.00 0.49 H new ATOM 0 HG11 VAL A 120 -4.705 -5.539 -6.521 1.00 0.60 H new ATOM 0 HG12 VAL A 120 -3.470 -6.766 -6.889 1.00 0.60 H new ATOM 0 HG13 VAL A 120 -5.195 -7.154 -7.087 1.00 0.60 H new ATOM 0 HG21 VAL A 120 -6.104 -5.730 -4.506 1.00 0.48 H new ATOM 0 HG22 VAL A 120 -6.664 -7.349 -4.988 1.00 0.48 H new ATOM 0 HG23 VAL A 120 -5.909 -7.106 -3.394 1.00 0.48 H new ATOM 1671 N PRO A 121 -2.208 -9.511 -6.083 1.00 0.42 N ATOM 1672 CA PRO A 121 -0.777 -9.736 -6.294 1.00 0.42 C ATOM 1673 C PRO A 121 -0.152 -8.570 -7.053 1.00 0.48 C ATOM 1674 O PRO A 121 -0.356 -8.424 -8.258 1.00 0.62 O ATOM 1675 CB PRO A 121 -0.724 -11.013 -7.123 1.00 0.49 C ATOM 1676 CG PRO A 121 -2.057 -11.127 -7.800 1.00 0.55 C ATOM 1677 CD PRO A 121 -3.013 -10.170 -7.119 1.00 0.48 C ATOM 0 HA PRO A 121 -0.222 -9.819 -5.359 1.00 0.42 H new ATOM 0 HB2 PRO A 121 0.082 -10.969 -7.855 1.00 0.49 H new ATOM 0 HB3 PRO A 121 -0.533 -11.880 -6.491 1.00 0.49 H new ATOM 0 HG2 PRO A 121 -1.968 -10.887 -8.859 1.00 0.55 H new ATOM 0 HG3 PRO A 121 -2.431 -12.149 -7.735 1.00 0.55 H new ATOM 0 HD2 PRO A 121 -3.418 -9.446 -7.826 1.00 0.48 H new ATOM 0 HD3 PRO A 121 -3.861 -10.700 -6.684 1.00 0.48 H new ATOM 1685 N PHE A 122 0.591 -7.731 -6.340 1.00 0.52 N ATOM 1686 CA PHE A 122 1.222 -6.565 -6.950 1.00 0.66 C ATOM 1687 C PHE A 122 2.734 -6.700 -6.951 1.00 0.59 C ATOM 1688 O PHE A 122 3.394 -6.417 -5.952 1.00 0.59 O ATOM 1689 CB PHE A 122 0.817 -5.303 -6.195 1.00 0.83 C ATOM 1690 CG PHE A 122 -0.568 -4.827 -6.555 1.00 0.78 C ATOM 1691 CD1 PHE A 122 -0.914 -4.639 -7.883 1.00 1.26 C ATOM 1692 CD2 PHE A 122 -1.496 -4.577 -5.557 1.00 1.73 C ATOM 1693 CE1 PHE A 122 -2.186 -4.202 -8.213 1.00 1.63 C ATOM 1694 CE2 PHE A 122 -2.768 -4.140 -5.887 1.00 2.10 C ATOM 1695 CZ PHE A 122 -3.113 -3.953 -7.215 1.00 1.76 C ATOM 0 H PHE A 122 0.771 -7.835 -5.342 1.00 0.52 H new ATOM 0 HA PHE A 122 0.884 -6.496 -7.984 1.00 0.66 H new ATOM 0 HB2 PHE A 122 0.863 -5.496 -5.123 1.00 0.83 H new ATOM 0 HB3 PHE A 122 1.535 -4.511 -6.408 1.00 0.83 H new ATOM 0 HD1 PHE A 122 -0.191 -4.833 -8.662 1.00 1.26 H new ATOM 0 HD2 PHE A 122 -1.227 -4.723 -4.521 1.00 1.73 H new ATOM 0 HE1 PHE A 122 -2.455 -4.055 -9.249 1.00 1.63 H new ATOM 0 HE2 PHE A 122 -3.491 -3.945 -5.109 1.00 2.10 H new ATOM 0 HZ PHE A 122 -4.105 -3.613 -7.472 1.00 1.76 H new ATOM 1705 N ILE A 123 3.280 -7.118 -8.086 1.00 0.58 N ATOM 1706 CA ILE A 123 4.719 -7.274 -8.221 1.00 0.54 C ATOM 1707 C ILE A 123 5.291 -6.105 -9.007 1.00 0.60 C ATOM 1708 O ILE A 123 4.784 -5.744 -10.069 1.00 0.70 O ATOM 1709 CB ILE A 123 5.045 -8.611 -8.899 1.00 0.58 C ATOM 1710 CG1 ILE A 123 4.808 -9.752 -7.917 1.00 0.54 C ATOM 1711 CG2 ILE A 123 6.487 -8.658 -9.422 1.00 0.61 C ATOM 1712 CD1 ILE A 123 5.011 -11.106 -8.585 1.00 0.61 C ATOM 0 H ILE A 123 2.748 -7.354 -8.924 1.00 0.58 H new ATOM 0 HA ILE A 123 5.177 -7.279 -7.232 1.00 0.54 H new ATOM 0 HB ILE A 123 4.385 -8.717 -9.760 1.00 0.58 H new ATOM 0 HG12 ILE A 123 5.489 -9.655 -7.072 1.00 0.54 H new ATOM 0 HG13 ILE A 123 3.795 -9.688 -7.519 1.00 0.54 H new ATOM 0 HG21 ILE A 123 6.672 -9.623 -9.894 1.00 0.61 H new ATOM 0 HG22 ILE A 123 6.635 -7.863 -10.153 1.00 0.61 H new ATOM 0 HG23 ILE A 123 7.180 -8.522 -8.592 1.00 0.61 H new ATOM 0 HD11 ILE A 123 4.835 -11.900 -7.859 1.00 0.61 H new ATOM 0 HD12 ILE A 123 4.312 -11.211 -9.414 1.00 0.61 H new ATOM 0 HD13 ILE A 123 6.032 -11.177 -8.960 1.00 0.61 H new ATOM 1724 N PHE A 124 6.355 -5.524 -8.475 1.00 0.56 N ATOM 1725 CA PHE A 124 7.013 -4.398 -9.122 1.00 0.62 C ATOM 1726 C PHE A 124 8.263 -4.888 -9.833 1.00 0.66 C ATOM 1727 O PHE A 124 8.938 -5.796 -9.353 1.00 0.61 O ATOM 1728 CB PHE A 124 7.348 -3.328 -8.089 1.00 0.63 C ATOM 1729 CG PHE A 124 6.108 -2.761 -7.445 1.00 0.82 C ATOM 1730 CD1 PHE A 124 5.041 -2.363 -8.234 1.00 1.60 C ATOM 1731 CD2 PHE A 124 6.025 -2.653 -6.067 1.00 1.44 C ATOM 1732 CE1 PHE A 124 3.895 -1.855 -7.646 1.00 1.81 C ATOM 1733 CE2 PHE A 124 4.878 -2.148 -5.479 1.00 1.62 C ATOM 1734 CZ PHE A 124 3.813 -1.749 -6.269 1.00 1.40 C ATOM 0 H PHE A 124 6.782 -5.814 -7.595 1.00 0.56 H new ATOM 0 HA PHE A 124 6.346 -3.953 -9.861 1.00 0.62 H new ATOM 0 HB2 PHE A 124 7.994 -3.754 -7.321 1.00 0.63 H new ATOM 0 HB3 PHE A 124 7.909 -2.525 -8.567 1.00 0.63 H new ATOM 0 HD1 PHE A 124 5.103 -2.449 -9.309 1.00 1.60 H new ATOM 0 HD2 PHE A 124 6.856 -2.963 -5.450 1.00 1.44 H new ATOM 0 HE1 PHE A 124 3.065 -1.542 -8.262 1.00 1.81 H new ATOM 0 HE2 PHE A 124 4.814 -2.065 -4.404 1.00 1.62 H new ATOM 0 HZ PHE A 124 2.918 -1.355 -5.810 1.00 1.40 H new ATOM 1744 N ASN A 125 8.548 -4.312 -10.995 1.00 0.79 N ATOM 1745 CA ASN A 125 9.700 -4.729 -11.784 1.00 0.90 C ATOM 1746 C ASN A 125 9.514 -6.185 -12.196 1.00 0.92 C ATOM 1747 O ASN A 125 8.967 -6.470 -13.261 1.00 1.04 O ATOM 1748 CB ASN A 125 10.990 -4.558 -10.980 1.00 0.88 C ATOM 1749 CG ASN A 125 11.346 -3.082 -10.857 1.00 0.92 C ATOM 1750 OD1 ASN A 125 11.767 -2.452 -11.827 1.00 1.08 O ATOM 1751 ND2 ASN A 125 11.178 -2.530 -9.661 1.00 1.03 N ATOM 0 H ASN A 125 8.000 -3.558 -11.410 1.00 0.79 H new ATOM 0 HA ASN A 125 9.777 -4.106 -12.675 1.00 0.90 H new ATOM 0 HB2 ASN A 125 10.869 -4.993 -9.988 1.00 0.88 H new ATOM 0 HB3 ASN A 125 11.804 -5.096 -11.467 1.00 0.88 H new ATOM 0 HD21 ASN A 125 11.401 -1.545 -9.518 1.00 1.03 H new ATOM 0 HD22 ASN A 125 10.826 -3.091 -8.885 1.00 1.03 H new ATOM 1758 N GLN A 126 9.953 -7.106 -11.343 1.00 0.85 N ATOM 1759 CA GLN A 126 9.814 -8.531 -11.616 1.00 0.89 C ATOM 1760 C GLN A 126 9.955 -9.348 -10.334 1.00 0.81 C ATOM 1761 O GLN A 126 9.267 -10.352 -10.149 1.00 1.03 O ATOM 1762 CB GLN A 126 10.869 -8.968 -12.626 1.00 1.08 C ATOM 1763 CG GLN A 126 12.269 -8.850 -12.033 1.00 1.44 C ATOM 1764 CD GLN A 126 13.316 -8.874 -13.139 1.00 1.83 C ATOM 1765 OE1 GLN A 126 13.161 -8.220 -14.170 1.00 2.16 O ATOM 1766 NE2 GLN A 126 14.387 -9.630 -12.923 1.00 2.40 N ATOM 0 H GLN A 126 10.408 -6.890 -10.456 1.00 0.85 H new ATOM 0 HA GLN A 126 8.820 -8.707 -12.028 1.00 0.89 H new ATOM 0 HB2 GLN A 126 10.684 -9.998 -12.929 1.00 1.08 H new ATOM 0 HB3 GLN A 126 10.796 -8.353 -13.523 1.00 1.08 H new ATOM 0 HG2 GLN A 126 12.353 -7.924 -11.463 1.00 1.44 H new ATOM 0 HG3 GLN A 126 12.447 -9.670 -11.337 1.00 1.44 H new ATOM 0 HE21 GLN A 126 14.473 -10.155 -12.053 1.00 2.40 H new ATOM 0 HE22 GLN A 126 15.123 -9.685 -13.627 1.00 2.40 H new ATOM 1775 N VAL A 127 10.874 -8.932 -9.466 1.00 0.78 N ATOM 1776 CA VAL A 127 11.135 -9.643 -8.218 1.00 0.70 C ATOM 1777 C VAL A 127 10.339 -9.076 -7.041 1.00 0.60 C ATOM 1778 O VAL A 127 10.135 -9.770 -6.047 1.00 0.61 O ATOM 1779 CB VAL A 127 12.627 -9.579 -7.909 1.00 0.76 C ATOM 1780 CG1 VAL A 127 13.438 -10.099 -9.089 1.00 0.88 C ATOM 1781 CG2 VAL A 127 13.042 -8.150 -7.575 1.00 0.86 C ATOM 0 H VAL A 127 11.452 -8.103 -9.605 1.00 0.78 H new ATOM 0 HA VAL A 127 10.814 -10.676 -8.352 1.00 0.70 H new ATOM 0 HB VAL A 127 12.825 -10.211 -7.043 1.00 0.76 H new ATOM 0 HG11 VAL A 127 14.501 -10.046 -8.852 1.00 0.88 H new ATOM 0 HG12 VAL A 127 13.162 -11.134 -9.292 1.00 0.88 H new ATOM 0 HG13 VAL A 127 13.232 -9.489 -9.969 1.00 0.88 H new ATOM 0 HG21 VAL A 127 14.110 -8.123 -7.357 1.00 0.86 H new ATOM 0 HG22 VAL A 127 12.828 -7.501 -8.424 1.00 0.86 H new ATOM 0 HG23 VAL A 127 12.485 -7.803 -6.704 1.00 0.86 H new ATOM 1791 N THR A 128 9.893 -7.824 -7.135 1.00 0.54 N ATOM 1792 CA THR A 128 9.138 -7.220 -6.037 1.00 0.48 C ATOM 1793 C THR A 128 7.783 -7.899 -5.907 1.00 0.45 C ATOM 1794 O THR A 128 7.080 -8.090 -6.894 1.00 0.55 O ATOM 1795 CB THR A 128 8.965 -5.712 -6.264 1.00 0.48 C ATOM 1796 OG1 THR A 128 10.213 -5.056 -6.114 1.00 0.54 O ATOM 1797 CG2 THR A 128 7.945 -5.115 -5.291 1.00 0.50 C ATOM 0 H THR A 128 10.037 -7.218 -7.943 1.00 0.54 H new ATOM 0 HA THR A 128 9.694 -7.361 -5.110 1.00 0.48 H new ATOM 0 HB THR A 128 8.593 -5.564 -7.278 1.00 0.48 H new ATOM 0 HG1 THR A 128 10.097 -4.094 -6.262 1.00 0.54 H new ATOM 0 HG21 THR A 128 7.846 -4.046 -5.478 1.00 0.50 H new ATOM 0 HG22 THR A 128 6.979 -5.599 -5.434 1.00 0.50 H new ATOM 0 HG23 THR A 128 8.283 -5.274 -4.267 1.00 0.50 H new ATOM 1805 N GLU A 129 7.430 -8.262 -4.678 1.00 0.44 N ATOM 1806 CA GLU A 129 6.158 -8.926 -4.408 1.00 0.45 C ATOM 1807 C GLU A 129 5.463 -8.267 -3.223 1.00 0.40 C ATOM 1808 O GLU A 129 6.002 -8.235 -2.120 1.00 0.45 O ATOM 1809 CB GLU A 129 6.399 -10.407 -4.119 1.00 0.49 C ATOM 1810 CG GLU A 129 5.115 -11.111 -3.688 1.00 0.53 C ATOM 1811 CD GLU A 129 4.753 -12.207 -4.682 1.00 0.80 C ATOM 1812 OE1 GLU A 129 5.679 -12.835 -5.238 1.00 1.37 O ATOM 1813 OE2 GLU A 129 3.546 -12.435 -4.904 1.00 1.53 O ATOM 0 H GLU A 129 8.007 -8.108 -3.852 1.00 0.44 H new ATOM 0 HA GLU A 129 5.516 -8.834 -5.284 1.00 0.45 H new ATOM 0 HB2 GLU A 129 6.799 -10.892 -5.009 1.00 0.49 H new ATOM 0 HB3 GLU A 129 7.151 -10.508 -3.336 1.00 0.49 H new ATOM 0 HG2 GLU A 129 5.244 -11.540 -2.694 1.00 0.53 H new ATOM 0 HG3 GLU A 129 4.301 -10.389 -3.621 1.00 0.53 H new ATOM 1820 N MET A 130 4.262 -7.748 -3.458 1.00 0.39 N ATOM 1821 CA MET A 130 3.489 -7.091 -2.408 1.00 0.36 C ATOM 1822 C MET A 130 2.020 -7.485 -2.513 1.00 0.39 C ATOM 1823 O MET A 130 1.328 -7.094 -3.452 1.00 0.55 O ATOM 1824 CB MET A 130 3.635 -5.571 -2.522 1.00 0.38 C ATOM 1825 CG MET A 130 2.675 -4.841 -1.582 1.00 0.36 C ATOM 1826 SD MET A 130 3.490 -3.558 -0.618 1.00 0.42 S ATOM 1827 CE MET A 130 2.284 -3.310 0.695 1.00 0.38 C ATOM 0 H MET A 130 3.802 -7.769 -4.368 1.00 0.39 H new ATOM 0 HA MET A 130 3.870 -7.411 -1.438 1.00 0.36 H new ATOM 0 HB2 MET A 130 4.661 -5.285 -2.289 1.00 0.38 H new ATOM 0 HB3 MET A 130 3.444 -5.263 -3.550 1.00 0.38 H new ATOM 0 HG2 MET A 130 1.870 -4.395 -2.166 1.00 0.36 H new ATOM 0 HG3 MET A 130 2.216 -5.562 -0.906 1.00 0.36 H new ATOM 0 HE1 MET A 130 2.644 -2.541 1.379 1.00 0.38 H new ATOM 0 HE2 MET A 130 1.334 -2.995 0.262 1.00 0.38 H new ATOM 0 HE3 MET A 130 2.143 -4.243 1.240 1.00 0.38 H new ATOM 1837 N VAL A 131 1.549 -8.258 -1.542 1.00 0.34 N ATOM 1838 CA VAL A 131 0.160 -8.701 -1.524 1.00 0.37 C ATOM 1839 C VAL A 131 -0.665 -7.819 -0.594 1.00 0.33 C ATOM 1840 O VAL A 131 -0.298 -7.611 0.567 1.00 0.33 O ATOM 1841 CB VAL A 131 0.084 -10.155 -1.070 1.00 0.43 C ATOM 1842 CG1 VAL A 131 -1.367 -10.623 -1.000 1.00 0.48 C ATOM 1843 CG2 VAL A 131 0.886 -11.048 -2.014 1.00 0.52 C ATOM 0 H VAL A 131 2.108 -8.591 -0.757 1.00 0.34 H new ATOM 0 HA VAL A 131 -0.247 -8.621 -2.532 1.00 0.37 H new ATOM 0 HB VAL A 131 0.515 -10.226 -0.071 1.00 0.43 H new ATOM 0 HG11 VAL A 131 -1.399 -11.663 -0.674 1.00 0.48 H new ATOM 0 HG12 VAL A 131 -1.915 -10.003 -0.290 1.00 0.48 H new ATOM 0 HG13 VAL A 131 -1.825 -10.538 -1.985 1.00 0.48 H new ATOM 0 HG21 VAL A 131 0.823 -12.083 -1.677 1.00 0.52 H new ATOM 0 HG22 VAL A 131 0.480 -10.969 -3.022 1.00 0.52 H new ATOM 0 HG23 VAL A 131 1.929 -10.731 -2.017 1.00 0.52 H new ATOM 1853 N LEU A 132 -1.782 -7.307 -1.113 1.00 0.35 N ATOM 1854 CA LEU A 132 -2.674 -6.449 -0.337 1.00 0.34 C ATOM 1855 C LEU A 132 -4.053 -7.086 -0.228 1.00 0.34 C ATOM 1856 O LEU A 132 -4.747 -7.265 -1.228 1.00 0.38 O ATOM 1857 CB LEU A 132 -2.794 -5.077 -0.995 1.00 0.39 C ATOM 1858 CG LEU A 132 -3.173 -4.015 0.032 1.00 0.37 C ATOM 1859 CD1 LEU A 132 -1.927 -3.333 0.575 1.00 0.60 C ATOM 1860 CD2 LEU A 132 -4.122 -2.982 -0.573 1.00 0.39 C ATOM 0 H LEU A 132 -2.090 -7.473 -2.071 1.00 0.35 H new ATOM 0 HA LEU A 132 -2.255 -6.329 0.662 1.00 0.34 H new ATOM 0 HB2 LEU A 132 -1.848 -4.811 -1.467 1.00 0.39 H new ATOM 0 HB3 LEU A 132 -3.546 -5.111 -1.784 1.00 0.39 H new ATOM 0 HG LEU A 132 -3.689 -4.510 0.855 1.00 0.37 H new ATOM 0 HD11 LEU A 132 -2.215 -2.578 1.307 1.00 0.60 H new ATOM 0 HD12 LEU A 132 -1.285 -4.074 1.052 1.00 0.60 H new ATOM 0 HD13 LEU A 132 -1.386 -2.858 -0.243 1.00 0.60 H new ATOM 0 HD21 LEU A 132 -4.376 -2.236 0.180 1.00 0.39 H new ATOM 0 HD22 LEU A 132 -3.637 -2.493 -1.418 1.00 0.39 H new ATOM 0 HD23 LEU A 132 -5.031 -3.478 -0.914 1.00 0.39 H new ATOM 1872 N GLU A 133 -4.442 -7.427 0.992 1.00 0.33 N ATOM 1873 CA GLU A 133 -5.734 -8.048 1.245 1.00 0.36 C ATOM 1874 C GLU A 133 -6.749 -7.009 1.705 1.00 0.34 C ATOM 1875 O GLU A 133 -6.693 -6.526 2.836 1.00 0.53 O ATOM 1876 CB GLU A 133 -5.587 -9.134 2.307 1.00 0.43 C ATOM 1877 CG GLU A 133 -4.355 -9.995 2.048 1.00 0.48 C ATOM 1878 CD GLU A 133 -4.609 -11.429 2.494 1.00 0.62 C ATOM 1879 OE1 GLU A 133 -5.786 -11.845 2.520 1.00 1.30 O ATOM 1880 OE2 GLU A 133 -3.629 -12.134 2.816 1.00 1.34 O ATOM 0 H GLU A 133 -3.876 -7.283 1.828 1.00 0.33 H new ATOM 0 HA GLU A 133 -6.092 -8.495 0.317 1.00 0.36 H new ATOM 0 HB2 GLU A 133 -5.512 -8.675 3.293 1.00 0.43 H new ATOM 0 HB3 GLU A 133 -6.478 -9.762 2.315 1.00 0.43 H new ATOM 0 HG2 GLU A 133 -4.106 -9.976 0.987 1.00 0.48 H new ATOM 0 HG3 GLU A 133 -3.498 -9.587 2.584 1.00 0.48 H new ATOM 1887 N MET A 134 -7.682 -6.680 0.821 1.00 0.36 N ATOM 1888 CA MET A 134 -8.727 -5.709 1.127 1.00 0.38 C ATOM 1889 C MET A 134 -10.090 -6.337 0.886 1.00 0.40 C ATOM 1890 O MET A 134 -10.344 -6.907 -0.174 1.00 0.42 O ATOM 1891 CB MET A 134 -8.561 -4.458 0.265 1.00 0.44 C ATOM 1892 CG MET A 134 -8.377 -4.811 -1.208 1.00 1.18 C ATOM 1893 SD MET A 134 -9.586 -3.992 -2.261 1.00 1.10 S ATOM 1894 CE MET A 134 -11.100 -4.817 -1.744 1.00 0.60 C ATOM 0 H MET A 134 -7.737 -7.073 -0.119 1.00 0.36 H new ATOM 0 HA MET A 134 -8.646 -5.417 2.174 1.00 0.38 H new ATOM 0 HB2 MET A 134 -9.436 -3.818 0.380 1.00 0.44 H new ATOM 0 HB3 MET A 134 -7.700 -3.887 0.613 1.00 0.44 H new ATOM 0 HG2 MET A 134 -7.373 -4.530 -1.524 1.00 1.18 H new ATOM 0 HG3 MET A 134 -8.460 -5.890 -1.334 1.00 1.18 H new ATOM 0 HE1 MET A 134 -11.955 -4.346 -2.229 1.00 0.60 H new ATOM 0 HE2 MET A 134 -11.056 -5.869 -2.027 1.00 0.60 H new ATOM 0 HE3 MET A 134 -11.207 -4.737 -0.662 1.00 0.60 H new ATOM 1904 N SER A 135 -10.961 -6.239 1.880 1.00 0.45 N ATOM 1905 CA SER A 135 -12.300 -6.802 1.780 1.00 0.52 C ATOM 1906 C SER A 135 -13.329 -5.688 1.734 1.00 0.50 C ATOM 1907 O SER A 135 -13.245 -4.719 2.488 1.00 0.62 O ATOM 1908 CB SER A 135 -12.570 -7.724 2.966 1.00 0.62 C ATOM 1909 OG SER A 135 -13.178 -7.006 4.031 1.00 1.01 O ATOM 0 H SER A 135 -10.764 -5.774 2.766 1.00 0.45 H new ATOM 0 HA SER A 135 -12.373 -7.384 0.861 1.00 0.52 H new ATOM 0 HB2 SER A 135 -13.219 -8.543 2.656 1.00 0.62 H new ATOM 0 HB3 SER A 135 -11.635 -8.169 3.307 1.00 0.62 H new ATOM 0 HG SER A 135 -13.345 -7.613 4.782 1.00 1.01 H new ATOM 1915 N LEU A 136 -14.299 -5.829 0.844 1.00 0.44 N ATOM 1916 CA LEU A 136 -15.345 -4.828 0.701 1.00 0.46 C ATOM 1917 C LEU A 136 -16.609 -5.294 1.407 1.00 0.54 C ATOM 1918 O LEU A 136 -16.853 -6.493 1.538 1.00 0.61 O ATOM 1919 CB LEU A 136 -15.622 -4.576 -0.781 1.00 0.53 C ATOM 1920 CG LEU A 136 -16.138 -3.160 -1.036 1.00 0.51 C ATOM 1921 CD1 LEU A 136 -15.227 -2.120 -0.395 1.00 0.55 C ATOM 1922 CD2 LEU A 136 -16.251 -2.899 -2.536 1.00 0.57 C ATOM 0 H LEU A 136 -14.384 -6.625 0.211 1.00 0.44 H new ATOM 0 HA LEU A 136 -15.015 -3.895 1.159 1.00 0.46 H new ATOM 0 HB2 LEU A 136 -14.708 -4.737 -1.353 1.00 0.53 H new ATOM 0 HB3 LEU A 136 -16.354 -5.299 -1.141 1.00 0.53 H new ATOM 0 HG LEU A 136 -17.126 -3.076 -0.583 1.00 0.51 H new ATOM 0 HD11 LEU A 136 -15.618 -1.122 -0.593 1.00 0.55 H new ATOM 0 HD12 LEU A 136 -15.185 -2.287 0.681 1.00 0.55 H new ATOM 0 HD13 LEU A 136 -14.225 -2.206 -0.815 1.00 0.55 H new ATOM 0 HD21 LEU A 136 -16.620 -1.887 -2.702 1.00 0.57 H new ATOM 0 HD22 LEU A 136 -15.270 -3.009 -2.999 1.00 0.57 H new ATOM 0 HD23 LEU A 136 -16.944 -3.615 -2.979 1.00 0.57 H new ATOM 1934 N GLU A 137 -17.408 -4.340 1.870 1.00 0.60 N ATOM 1935 CA GLU A 137 -18.646 -4.658 2.572 1.00 0.74 C ATOM 1936 C GLU A 137 -19.498 -3.407 2.752 1.00 0.83 C ATOM 1937 O GLU A 137 -19.004 -2.283 2.651 1.00 0.73 O ATOM 1938 CB GLU A 137 -18.327 -5.270 3.933 1.00 0.88 C ATOM 1939 CG GLU A 137 -18.468 -6.790 3.905 1.00 1.30 C ATOM 1940 CD GLU A 137 -18.652 -7.328 5.318 1.00 1.54 C ATOM 1941 OE1 GLU A 137 -18.506 -6.544 6.279 1.00 1.87 O ATOM 1942 OE2 GLU A 137 -18.942 -8.535 5.463 1.00 2.21 O ATOM 0 H GLU A 137 -17.222 -3.342 1.772 1.00 0.60 H new ATOM 0 HA GLU A 137 -19.208 -5.377 1.976 1.00 0.74 H new ATOM 0 HB2 GLU A 137 -17.312 -5.002 4.225 1.00 0.88 H new ATOM 0 HB3 GLU A 137 -18.996 -4.854 4.687 1.00 0.88 H new ATOM 0 HG2 GLU A 137 -19.320 -7.072 3.287 1.00 1.30 H new ATOM 0 HG3 GLU A 137 -17.583 -7.236 3.451 1.00 1.30 H new ATOM 1949 N VAL A 138 -20.784 -3.613 3.019 1.00 1.17 N ATOM 1950 CA VAL A 138 -21.716 -2.508 3.213 1.00 1.37 C ATOM 1951 C VAL A 138 -22.930 -2.972 4.006 1.00 1.80 C ATOM 1952 O VAL A 138 -23.926 -2.220 4.066 1.00 2.32 O ATOM 1953 CB VAL A 138 -22.158 -1.963 1.860 1.00 1.45 C ATOM 1954 CG1 VAL A 138 -21.052 -1.125 1.230 1.00 1.22 C ATOM 1955 CG2 VAL A 138 -22.551 -3.108 0.931 1.00 1.65 C ATOM 1956 OXT VAL A 138 -22.884 -4.088 4.566 1.00 2.19 O ATOM 0 H VAL A 138 -21.205 -4.538 3.106 1.00 1.17 H new ATOM 0 HA VAL A 138 -21.214 -1.719 3.773 1.00 1.37 H new ATOM 0 HB VAL A 138 -23.027 -1.323 2.014 1.00 1.45 H new ATOM 0 HG11 VAL A 138 -21.388 -0.746 0.265 1.00 1.22 H new ATOM 0 HG12 VAL A 138 -20.812 -0.288 1.885 1.00 1.22 H new ATOM 0 HG13 VAL A 138 -20.164 -1.741 1.088 1.00 1.22 H new ATOM 0 HG21 VAL A 138 -22.865 -2.704 -0.032 1.00 1.65 H new ATOM 0 HG22 VAL A 138 -21.696 -3.769 0.786 1.00 1.65 H new ATOM 0 HG23 VAL A 138 -23.373 -3.670 1.374 1.00 1.65 H new TER 1966 VAL A 138 HETATM 1967 CA CA A 139 19.435 0.929 4.847 1.00 1.08 CA HETATM 1968 CA CA A 140 15.962 4.689 2.468 1.00 1.31 CA CONECT 390 1967 CONECT 402 1967 CONECT 433 1967 CONECT 434 1968 CONECT 798 1967 CONECT 804 1967 CONECT 1259 1968 CONECT 1267 1968 CONECT 1280 1968 CONECT 1967 390 402 433 798 CONECT 1967 804 CONECT 1968 434 1259 1267 1280 END