USER MOD reduce.3.24.130724 H: found=0, std=0, add=1231, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1228 hydrogens (12 hets) HEADER HYDROLASE 30-JUL-01 1JOK TITLE AVERAGED STRUCTURE FOR STAPHYLOCOCCAL NUCLEASE-H124L IN TITLE 2 TERNARY COMPLEX WITH CA2+ AND THYMIDINE-3',5'-BISPHOSPHATE COMPND MOL_ID: 1; COMPND 2 MOLECULE: STAPHYLOCOCCAL NUCLEASE; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: NUCLEASE A; COMPND 5 SYNONYM: THERMONUCLEASE, TNASE, MICROCOCCAL NUCLEASE; COMPND 6 EC: 3.1.31.1; COMPND 7 ENGINEERED: YES; COMPND 8 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; SOURCE 3 ORGANISM_TAXID: 1280; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 5 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 6 EXPRESSION_SYSTEM_STRAIN: BL-21(DE3); SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PTSN2CC KEYWDS TERNARY COMPLEX, BETA BARREL, ALPHA HELIX, HYDROLASE EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR J.WANG,D.M.TRUCKSES,F.ABILDGAARD,Z.DZAKULA,Z.ZOLNAI, AUTHOR 2 J.L.MARKLEY REVDAT 3 24-FEB-09 1JOK 1 VERSN REVDAT 2 01-APR-03 1JOK 1 JRNL REVDAT 1 22-AUG-01 1JOK 0 JRNL AUTH J.WANG,D.M.TRUCKSES,F.ABILDGAARD,Z.DZAKULA, JRNL AUTH 2 Z.ZOLNAI,J.L.MARKLEY JRNL TITL SOLUTION STRUCTURES OF STAPHYLOCOCCAL NUCLEASE JRNL TITL 2 FROM MULTIDIMENSIONAL, MULTINUCLEAR NMR: JRNL TITL 3 NUCLEASE-H124L AND ITS TERNARY COMPLEX WITH CA2+ JRNL TITL 4 AND THYMIDINE-3',5'-BISPHOSPHATE. JRNL REF J.BIOMOL.NMR V. 10 143 1997 JRNL REFN ISSN 0925-2738 JRNL PMID 9369015 JRNL DOI 10.1023/A:1018350004729 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: 2261 CONSTRAINTS WERE USED TO REMARK 3 CALCULATE THE STRUCTURE. CA2+ IS BOUND, BUT COORDINATES FOR REMARK 3 THE CALCIUM ARE NOT PROVIDED. REMARK 4 REMARK 4 1JOK COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 31-JUL-01. REMARK 100 THE RCSB ID CODE IS RCSB014007. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 318; 318 REMARK 210 PH : 5.5; 5.1 REMARK 210 IONIC STRENGTH : 300 NM KCL; 300 NM KCL REMARK 210 PRESSURE : AMBIENT; AMBIENT REMARK 210 SAMPLE CONTENTS : 3.5-5 MM NUCLEASE-H124L U-50% REMARK 210 2H; 300 MM KCL; D2O; 3.5-5 MM REMARK 210 NUCLEASE-H124L U-95% 15N; 300 REMARK 210 MM KCL; H2O; 3.5-5 MM NUCLEASE REMARK 210 -H124L; 300 MM KCL; D2O; 3.5-5 REMARK 210 MM NUCLEASE-H124L U-50% 2H; REMARK 210 300 MM KCL; H2O; 3.5-5 MM REMARK 210 NUCLEASE-H124L U-98% 13C; 300 REMARK 210 MM KCL; H2O; 3.5-5 MM NUCLEASE REMARK 210 -H124L U-98% 13C U-99% 15N; REMARK 210 300 MM KCL; H2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : E-COSY, HMQC-J, DQF-COSY, 2D REMARK 210 NOESY, 3D 1H-15N NOESY-HMQC, REMARK 210 3D HMQC-NOESY-HMQC, 2D 1H-13C REMARK 210 HMQC, HNCO, AND OTHERS REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ, 600 MHZ REMARK 210 SPECTROMETER MODEL : AM REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : FELIX, X-PLOR 3.1, INSIGHTII REMARK 210 2.3, HBPLUS REMARK 210 METHOD USED : DISTANCE, HYDROGEN BOND AND REMARK 210 TORSION ANGLE CONSTRAINTS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: 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 LYS A 5 -76.89 -133.46 REMARK 500 LYS A 6 -96.37 -105.01 REMARK 500 ILE A 15 -61.10 -123.91 REMARK 500 LEU A 25 -158.03 -119.12 REMARK 500 GLU A 43 93.44 55.58 REMARK 500 HIS A 46 73.80 42.59 REMARK 500 LYS A 48 -82.60 -163.72 REMARK 500 LYS A 53 -80.60 -125.53 REMARK 500 GLU A 57 -56.91 -160.96 REMARK 500 LYS A 63 -70.64 -60.47 REMARK 500 MET A 65 -78.26 -53.08 REMARK 500 ASN A 119 27.69 -165.31 REMARK 500 ASN A 138 -106.73 69.05 REMARK 500 TRP A 140 46.70 -85.23 REMARK 500 SER A 141 -81.91 -106.52 REMARK 500 ASP A 143 70.48 -164.81 REMARK 500 ASN A 144 165.34 177.01 REMARK 500 ALA A 145 76.94 -118.44 REMARK 500 SER A 147 71.47 56.98 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 ARG A 35 0.30 SIDE_CHAIN REMARK 500 ARG A 81 0.25 SIDE_CHAIN REMARK 500 ARG A 87 0.22 SIDE_CHAIN REMARK 500 ARG A 105 0.26 SIDE_CHAIN REMARK 500 ARG A 126 0.24 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE THP A 150 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1JOO RELATED DB: PDB REMARK 900 AVERAGED STRUCTURE FOR UNLIGATED STAPHYLOCOCCAL NUCLEASE- REMARK 900 H124L REMARK 900 RELATED ID: 1JOQ RELATED DB: PDB REMARK 900 ENSEMBLE STRUCTURES FOR STAPHYLOCOCCAL NUCLEASE-H124L IN REMARK 900 TERNARY COMPLEX WITH CA2+ AND THYMIDINE-3',5'-BISPHOSPHATE REMARK 900 RELATED ID: 1JOR RELATED DB: PDB REMARK 900 ENSEMBLE STRUCTURES FOR UNLIGATED STAPHYLOCOCCAL NUCLEASE- REMARK 900 H124L DBREF 1JOK A 1 149 UNP P00644 NUC_STAAU 83 231 SEQADV 1JOK LEU A 124 UNP P00644 HIS 206 ENGINEERED SEQRES 1 A 149 ALA THR SER THR LYS LYS LEU HIS LYS GLU PRO ALA THR SEQRES 2 A 149 LEU ILE LYS ALA ILE ASP GLY ASP THR VAL LYS LEU MET SEQRES 3 A 149 TYR LYS GLY GLN PRO MET THR PHE ARG LEU LEU LEU VAL SEQRES 4 A 149 ASP THR PRO GLU THR LYS HIS PRO LYS LYS GLY VAL GLU SEQRES 5 A 149 LYS TYR GLY PRO GLU ALA SER ALA PHE THR LYS LYS MET SEQRES 6 A 149 VAL GLU ASN ALA LYS LYS ILE GLU VAL GLU PHE ASP LYS SEQRES 7 A 149 GLY GLN ARG THR ASP LYS TYR GLY ARG GLY LEU ALA TYR SEQRES 8 A 149 ILE TYR ALA ASP GLY LYS MET VAL ASN GLU ALA LEU VAL SEQRES 9 A 149 ARG GLN GLY LEU ALA LYS VAL ALA TYR VAL TYR LYS PRO SEQRES 10 A 149 ASN ASN THR HIS GLU GLN LEU LEU ARG LYS SER GLU ALA SEQRES 11 A 149 GLN ALA LYS LYS GLU LYS LEU ASN ILE TRP SER GLU ASP SEQRES 12 A 149 ASN ALA ASP SER GLY GLN HET THP A 150 37 HETNAM THP THYMIDINE-3',5'-DIPHOSPHATE FORMUL 2 THP C10 H16 N2 O11 P2 HELIX 1 1 TYR A 54 ALA A 69 1 16 HELIX 2 2 VAL A 99 GLN A 106 1 8 HELIX 3 3 HIS A 121 LYS A 136 1 16 HELIX 4 4 LEU A 137 SER A 141 5 5 SHEET 1 A 6 LYS A 16 ALA A 17 0 SHEET 2 A 6 THR A 22 TYR A 27 -1 N LYS A 24 O LYS A 16 SHEET 3 A 6 GLN A 30 LEU A 36 -1 O GLN A 30 N TYR A 27 SHEET 4 A 6 GLY A 88 ALA A 94 1 N GLY A 88 O THR A 33 SHEET 5 A 6 ILE A 72 PHE A 76 -1 O GLU A 73 N TYR A 93 SHEET 6 A 6 HIS A 8 ALA A 12 -1 N HIS A 8 O PHE A 76 SHEET 1 B 5 LYS A 16 ALA A 17 0 SHEET 2 B 5 THR A 22 TYR A 27 -1 N LYS A 24 O LYS A 16 SHEET 3 B 5 GLN A 30 LEU A 36 -1 O GLN A 30 N TYR A 27 SHEET 4 B 5 GLY A 88 ALA A 94 1 N GLY A 88 O THR A 33 SHEET 5 B 5 LYS A 97 MET A 98 -1 O LYS A 97 N ALA A 94 SHEET 1 C 2 VAL A 39 ASP A 40 0 SHEET 2 C 2 LYS A 110 VAL A 111 -1 N LYS A 110 O ASP A 40 CISPEP 1 LYS A 116 PRO A 117 0 -0.47 SITE *** AC1 8 ARG A 35 LEU A 37 ASP A 83 LYS A 84 SITE *** AC1 8 TYR A 85 ARG A 87 TYR A 113 TYR A 115 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 136 LYS NZ :NH3+ -169:sc= 0 (180deg=0) USER MOD Set 2.1: A 84 LYS NZ :NH3+ -165:sc= 2.29 (180deg=1.42) USER MOD Set 2.2: A 85 TYR OH : rot -129:sc= 0.722 USER MOD Set 3.1: A 44 THR OG1 : rot -53:sc= 1.01 USER MOD Set 3.2: A 59 SER OG : rot 180:sc= -0.362 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.189 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.079 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.2 X(o=-0.2,f=-0.046) USER MOD Single : A 9 LYS NZ :NH3+ 156:sc= -0.0358 (180deg=-0.274) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.52 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 176:sc= -1.45! USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 157:sc= -2.77 (180deg=-3.52!) USER MOD Single : A 27 TYR OH : rot 70:sc= -0.657 USER MOD Single : A 28 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.147) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 MET CE :methyl 144:sc= -0.722 (180deg=-2.5!) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.542 USER MOD Single : A 41 THR OG1 : rot -110:sc= -0.706 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 HIS :FLIP no HE2:sc= -0.035 F(o=-0.75,f=-0.035) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -105:sc= -1.05 (180deg=-2.45!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= -0.861 USER MOD Single : A 62 THR OG1 : rot 100:sc= -0.611 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -0.0185 K(o=-0.019,f=-1.2!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0272) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN :FLIP amide:sc= 0 F(o=-0.65,f=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 141:sc= 0.415 USER MOD Single : A 93 TYR OH : rot -127:sc= 0.932 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 MET CE :methyl -127:sc= -0.853 (180deg=-1.34) USER MOD Single : A 100 ASN : amide:sc= -7.25! C(o=-7.3!,f=-15!) USER MOD Single : A 106 GLN : amide:sc= -2.11! C(o=-2.1!,f=-4.8!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 TYR OH : rot 30:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 ASN : amide:sc= -3.73! C(o=-3.7!,f=-12!) USER MOD Single : A 119 ASN : amide:sc= -0.735 K(o=-0.74,f=-5.3!) USER MOD Single : A 120 THR OG1 : rot 117:sc= 0.139 USER MOD Single : A 121 HIS :FLIP no HE2:sc= 0.21 F(o=-2.4,f=0.21) USER MOD Single : A 123 GLN : amide:sc= -0.564 K(o=-0.56,f=-2.2!) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 SER OG : rot 139:sc= -4.13! USER MOD Single : A 131 GLN : amide:sc= -0.437 K(o=-0.44,f=-3.6!) USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 ASN : amide:sc= -0.0617 X(o=-0.062,f=-0.062) USER MOD Single : A 141 SER OG : rot 86:sc= 0.328 USER MOD Single : A 144 ASN :FLIP amide:sc= -0.152 F(o=-2.5,f=-0.15) USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 149 GLN : amide:sc= -0.26 X(o=-0.26,f=-0.57) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 138.472 -4.095 -17.032 1.00 9.22 N ATOM 2 CA ALA A 1 137.453 -5.003 -17.631 1.00 8.99 C ATOM 3 C ALA A 1 137.540 -4.929 -19.157 1.00 8.41 C ATOM 4 O ALA A 1 136.738 -4.284 -19.803 1.00 8.48 O ATOM 5 CB ALA A 1 136.058 -4.570 -17.179 1.00 9.39 C ATOM 0 H1 ALA A 1 138.414 -4.144 -15.995 1.00 9.22 H new ATOM 0 H2 ALA A 1 139.421 -4.387 -17.340 1.00 9.22 H new ATOM 0 H3 ALA A 1 138.293 -3.119 -17.343 1.00 9.22 H new ATOM 0 HA ALA A 1 137.640 -6.026 -17.305 1.00 8.99 H new ATOM 0 HB1 ALA A 1 135.312 -5.233 -17.616 1.00 9.39 H new ATOM 0 HB2 ALA A 1 135.996 -4.620 -16.092 1.00 9.39 H new ATOM 0 HB3 ALA A 1 135.871 -3.547 -17.506 1.00 9.39 H new ATOM 13 N THR A 2 138.508 -5.583 -19.738 1.00 8.11 N ATOM 14 CA THR A 2 138.646 -5.548 -21.221 1.00 7.82 C ATOM 15 C THR A 2 137.454 -6.261 -21.861 1.00 7.07 C ATOM 16 O THR A 2 137.085 -5.988 -22.987 1.00 7.16 O ATOM 17 CB THR A 2 139.942 -6.252 -21.629 1.00 8.46 C ATOM 18 OG1 THR A 2 140.050 -6.259 -23.045 1.00 8.68 O ATOM 19 CG2 THR A 2 139.931 -7.689 -21.107 1.00 8.96 C ATOM 0 H THR A 2 139.209 -6.140 -19.250 1.00 8.11 H new ATOM 0 HA THR A 2 138.673 -4.512 -21.559 1.00 7.82 H new ATOM 0 HB THR A 2 140.794 -5.721 -21.203 1.00 8.46 H new ATOM 0 HG1 THR A 2 140.880 -6.708 -23.308 1.00 8.68 H new ATOM 0 HG21 THR A 2 140.855 -8.189 -21.398 1.00 8.96 H new ATOM 0 HG22 THR A 2 139.850 -7.681 -20.020 1.00 8.96 H new ATOM 0 HG23 THR A 2 139.080 -8.223 -21.530 1.00 8.96 H new ATOM 27 N SER A 3 136.846 -7.175 -21.154 1.00 6.60 N ATOM 28 CA SER A 3 135.679 -7.903 -21.725 1.00 6.09 C ATOM 29 C SER A 3 134.547 -7.940 -20.697 1.00 5.42 C ATOM 30 O SER A 3 134.734 -7.619 -19.540 1.00 5.45 O ATOM 31 CB SER A 3 136.091 -9.331 -22.080 1.00 6.48 C ATOM 32 OG SER A 3 134.986 -10.007 -22.666 1.00 7.05 O ATOM 0 H SER A 3 137.107 -7.448 -20.207 1.00 6.60 H new ATOM 0 HA SER A 3 135.337 -7.390 -22.624 1.00 6.09 H new ATOM 0 HB2 SER A 3 136.933 -9.317 -22.773 1.00 6.48 H new ATOM 0 HB3 SER A 3 136.423 -9.859 -21.186 1.00 6.48 H new ATOM 0 HG SER A 3 135.248 -10.923 -22.896 1.00 7.05 H new ATOM 38 N THR A 4 133.372 -8.329 -21.111 1.00 5.18 N ATOM 39 CA THR A 4 132.227 -8.387 -20.159 1.00 4.89 C ATOM 40 C THR A 4 132.094 -9.809 -19.609 1.00 4.20 C ATOM 41 O THR A 4 132.239 -10.778 -20.327 1.00 4.54 O ATOM 42 CB THR A 4 130.939 -8.001 -20.890 1.00 5.60 C ATOM 43 OG1 THR A 4 131.031 -8.403 -22.250 1.00 6.22 O ATOM 44 CG2 THR A 4 130.742 -6.486 -20.816 1.00 6.07 C ATOM 0 H THR A 4 133.156 -8.609 -22.068 1.00 5.18 H new ATOM 0 HA THR A 4 132.401 -7.694 -19.336 1.00 4.89 H new ATOM 0 HB THR A 4 130.091 -8.498 -20.420 1.00 5.60 H new ATOM 0 HG1 THR A 4 130.207 -8.158 -22.720 1.00 6.22 H new ATOM 0 HG21 THR A 4 129.824 -6.213 -21.337 1.00 6.07 H new ATOM 0 HG22 THR A 4 130.672 -6.179 -19.773 1.00 6.07 H new ATOM 0 HG23 THR A 4 131.589 -5.986 -21.286 1.00 6.07 H new ATOM 52 N LYS A 5 131.818 -9.942 -18.341 1.00 3.66 N ATOM 53 CA LYS A 5 131.676 -11.303 -17.750 1.00 3.45 C ATOM 54 C LYS A 5 130.417 -11.358 -16.882 1.00 2.54 C ATOM 55 O LYS A 5 129.403 -11.899 -17.277 1.00 2.89 O ATOM 56 CB LYS A 5 132.903 -11.617 -16.891 1.00 4.26 C ATOM 57 CG LYS A 5 133.439 -13.003 -17.254 1.00 5.26 C ATOM 58 CD LYS A 5 134.442 -12.879 -18.403 1.00 6.27 C ATOM 59 CE LYS A 5 135.419 -14.055 -18.358 1.00 7.20 C ATOM 60 NZ LYS A 5 136.607 -13.748 -19.204 1.00 7.88 N ATOM 0 H LYS A 5 131.685 -9.169 -17.689 1.00 3.66 H new ATOM 0 HA LYS A 5 131.595 -12.038 -18.551 1.00 3.45 H new ATOM 0 HB2 LYS A 5 133.674 -10.864 -17.051 1.00 4.26 H new ATOM 0 HB3 LYS A 5 132.639 -11.583 -15.834 1.00 4.26 H new ATOM 0 HG2 LYS A 5 133.918 -13.458 -16.387 1.00 5.26 H new ATOM 0 HG3 LYS A 5 132.617 -13.658 -17.544 1.00 5.26 H new ATOM 0 HD2 LYS A 5 133.917 -12.865 -19.358 1.00 6.27 H new ATOM 0 HD3 LYS A 5 134.986 -11.938 -18.325 1.00 6.27 H new ATOM 0 HE2 LYS A 5 135.730 -14.244 -17.331 1.00 7.20 H new ATOM 0 HE3 LYS A 5 134.930 -14.962 -18.715 1.00 7.20 H new ATOM 0 HZ1 LYS A 5 137.271 -14.548 -19.173 1.00 7.88 H new ATOM 0 HZ2 LYS A 5 136.302 -13.589 -20.186 1.00 7.88 H new ATOM 0 HZ3 LYS A 5 137.078 -12.893 -18.844 1.00 7.88 H new ATOM 74 N LYS A 6 130.471 -10.803 -15.701 1.00 2.04 N ATOM 75 CA LYS A 6 129.274 -10.828 -14.814 1.00 1.81 C ATOM 76 C LYS A 6 128.623 -9.442 -14.796 1.00 1.63 C ATOM 77 O LYS A 6 127.847 -9.102 -15.667 1.00 2.17 O ATOM 78 CB LYS A 6 129.697 -11.220 -13.397 1.00 2.45 C ATOM 79 CG LYS A 6 130.026 -12.713 -13.360 1.00 3.22 C ATOM 80 CD LYS A 6 131.534 -12.899 -13.184 1.00 3.90 C ATOM 81 CE LYS A 6 131.827 -14.348 -12.795 1.00 4.65 C ATOM 82 NZ LYS A 6 133.243 -14.675 -13.126 1.00 5.36 N ATOM 0 H LYS A 6 131.290 -10.335 -15.314 1.00 2.04 H new ATOM 0 HA LYS A 6 128.556 -11.557 -15.190 1.00 1.81 H new ATOM 0 HB2 LYS A 6 130.566 -10.637 -13.091 1.00 2.45 H new ATOM 0 HB3 LYS A 6 128.897 -10.995 -12.691 1.00 2.45 H new ATOM 0 HG2 LYS A 6 129.491 -13.194 -12.541 1.00 3.22 H new ATOM 0 HG3 LYS A 6 129.695 -13.192 -14.281 1.00 3.22 H new ATOM 0 HD2 LYS A 6 132.053 -12.648 -14.109 1.00 3.90 H new ATOM 0 HD3 LYS A 6 131.907 -12.222 -12.415 1.00 3.90 H new ATOM 0 HE2 LYS A 6 131.649 -14.493 -11.729 1.00 4.65 H new ATOM 0 HE3 LYS A 6 131.154 -15.021 -13.325 1.00 4.65 H new ATOM 0 HZ1 LYS A 6 133.443 -15.661 -12.861 1.00 5.36 H new ATOM 0 HZ2 LYS A 6 133.398 -14.552 -14.147 1.00 5.36 H new ATOM 0 HZ3 LYS A 6 133.878 -14.040 -12.601 1.00 5.36 H new ATOM 96 N LEU A 7 128.930 -8.636 -13.814 1.00 1.31 N ATOM 97 CA LEU A 7 128.323 -7.277 -13.755 1.00 1.25 C ATOM 98 C LEU A 7 129.315 -6.253 -14.309 1.00 1.27 C ATOM 99 O LEU A 7 130.302 -6.600 -14.926 1.00 1.41 O ATOM 100 CB LEU A 7 127.987 -6.927 -12.302 1.00 1.30 C ATOM 101 CG LEU A 7 127.179 -8.061 -11.668 1.00 1.21 C ATOM 102 CD1 LEU A 7 126.555 -7.571 -10.360 1.00 1.25 C ATOM 103 CD2 LEU A 7 126.068 -8.498 -12.627 1.00 1.25 C ATOM 0 H LEU A 7 129.572 -8.860 -13.054 1.00 1.31 H new ATOM 0 HA LEU A 7 127.411 -7.261 -14.351 1.00 1.25 H new ATOM 0 HB2 LEU A 7 128.904 -6.762 -11.737 1.00 1.30 H new ATOM 0 HB3 LEU A 7 127.418 -5.998 -12.265 1.00 1.30 H new ATOM 0 HG LEU A 7 127.838 -8.906 -11.466 1.00 1.21 H new ATOM 0 HD11 LEU A 7 125.979 -8.378 -9.907 1.00 1.25 H new ATOM 0 HD12 LEU A 7 127.344 -7.259 -9.675 1.00 1.25 H new ATOM 0 HD13 LEU A 7 125.897 -6.726 -10.565 1.00 1.25 H new ATOM 0 HD21 LEU A 7 125.493 -9.306 -12.174 1.00 1.25 H new ATOM 0 HD22 LEU A 7 125.409 -7.654 -12.830 1.00 1.25 H new ATOM 0 HD23 LEU A 7 126.509 -8.846 -13.561 1.00 1.25 H new ATOM 115 N HIS A 8 129.061 -4.992 -14.091 1.00 1.24 N ATOM 116 CA HIS A 8 129.990 -3.946 -14.604 1.00 1.31 C ATOM 117 C HIS A 8 130.394 -3.018 -13.457 1.00 1.19 C ATOM 118 O HIS A 8 129.756 -2.015 -13.202 1.00 1.21 O ATOM 119 CB HIS A 8 129.291 -3.133 -15.696 1.00 1.49 C ATOM 120 CG HIS A 8 130.323 -2.480 -16.572 1.00 2.08 C ATOM 121 ND1 HIS A 8 130.186 -1.180 -17.033 1.00 2.83 N ATOM 122 CD2 HIS A 8 131.514 -2.935 -17.082 1.00 2.93 C ATOM 123 CE1 HIS A 8 131.267 -0.901 -17.784 1.00 3.71 C ATOM 124 NE2 HIS A 8 132.109 -1.936 -17.847 1.00 3.82 N ATOM 0 H HIS A 8 128.251 -4.641 -13.580 1.00 1.24 H new ATOM 0 HA HIS A 8 130.879 -4.421 -15.019 1.00 1.31 H new ATOM 0 HB2 HIS A 8 128.650 -3.781 -16.293 1.00 1.49 H new ATOM 0 HB3 HIS A 8 128.649 -2.376 -15.246 1.00 1.49 H new ATOM 0 HD2 HIS A 8 131.927 -3.919 -16.915 1.00 2.93 H new ATOM 0 HE1 HIS A 8 131.434 0.046 -18.276 1.00 3.71 H new ATOM 0 HE2 HIS A 8 132.996 -1.984 -18.348 1.00 3.82 H new ATOM 132 N LYS A 9 131.450 -3.344 -12.763 1.00 1.13 N ATOM 133 CA LYS A 9 131.894 -2.482 -11.633 1.00 1.04 C ATOM 134 C LYS A 9 132.472 -1.176 -12.183 1.00 1.03 C ATOM 135 O LYS A 9 133.197 -1.169 -13.158 1.00 1.12 O ATOM 136 CB LYS A 9 132.964 -3.215 -10.822 1.00 1.08 C ATOM 137 CG LYS A 9 132.298 -4.004 -9.694 1.00 1.08 C ATOM 138 CD LYS A 9 132.866 -3.551 -8.348 1.00 1.31 C ATOM 139 CE LYS A 9 132.874 -4.730 -7.374 1.00 1.19 C ATOM 140 NZ LYS A 9 133.958 -5.680 -7.752 1.00 1.81 N ATOM 0 H LYS A 9 132.024 -4.170 -12.930 1.00 1.13 H new ATOM 0 HA LYS A 9 131.043 -2.258 -10.990 1.00 1.04 H new ATOM 0 HB2 LYS A 9 133.527 -3.889 -11.468 1.00 1.08 H new ATOM 0 HB3 LYS A 9 133.676 -2.500 -10.409 1.00 1.08 H new ATOM 0 HG2 LYS A 9 131.219 -3.849 -9.716 1.00 1.08 H new ATOM 0 HG3 LYS A 9 132.470 -5.071 -9.832 1.00 1.08 H new ATOM 0 HD2 LYS A 9 133.878 -3.167 -8.479 1.00 1.31 H new ATOM 0 HD3 LYS A 9 132.266 -2.736 -7.944 1.00 1.31 H new ATOM 0 HE2 LYS A 9 133.028 -4.373 -6.356 1.00 1.19 H new ATOM 0 HE3 LYS A 9 131.909 -5.237 -7.392 1.00 1.19 H new ATOM 0 HZ1 LYS A 9 134.239 -6.235 -6.919 1.00 1.81 H new ATOM 0 HZ2 LYS A 9 133.614 -6.321 -8.495 1.00 1.81 H new ATOM 0 HZ3 LYS A 9 134.778 -5.148 -8.106 1.00 1.81 H new ATOM 154 N GLU A 10 132.155 -0.072 -11.565 1.00 0.96 N ATOM 155 CA GLU A 10 132.682 1.235 -12.050 1.00 0.98 C ATOM 156 C GLU A 10 132.960 2.143 -10.851 1.00 0.92 C ATOM 157 O GLU A 10 132.531 1.862 -9.751 1.00 0.87 O ATOM 158 CB GLU A 10 131.642 1.900 -12.955 1.00 1.00 C ATOM 159 CG GLU A 10 131.994 1.637 -14.420 1.00 1.22 C ATOM 160 CD GLU A 10 131.727 2.900 -15.243 1.00 1.71 C ATOM 161 OE1 GLU A 10 132.132 3.964 -14.806 1.00 2.44 O ATOM 162 OE2 GLU A 10 131.121 2.780 -16.295 1.00 2.26 O ATOM 0 H GLU A 10 131.553 -0.018 -10.744 1.00 0.96 H new ATOM 0 HA GLU A 10 133.603 1.072 -12.610 1.00 0.98 H new ATOM 0 HB2 GLU A 10 130.649 1.509 -12.733 1.00 1.00 H new ATOM 0 HB3 GLU A 10 131.612 2.973 -12.765 1.00 1.00 H new ATOM 0 HG2 GLU A 10 133.041 1.348 -14.507 1.00 1.22 H new ATOM 0 HG3 GLU A 10 131.401 0.807 -14.804 1.00 1.22 H new ATOM 169 N PRO A 11 133.668 3.210 -11.102 1.00 0.96 N ATOM 170 CA PRO A 11 134.030 4.209 -10.066 1.00 0.93 C ATOM 171 C PRO A 11 132.859 5.159 -9.811 1.00 0.84 C ATOM 172 O PRO A 11 131.910 5.209 -10.568 1.00 0.85 O ATOM 173 CB PRO A 11 135.209 4.954 -10.683 1.00 1.05 C ATOM 174 CG PRO A 11 135.071 4.798 -12.202 1.00 1.13 C ATOM 175 CD PRO A 11 134.202 3.556 -12.449 1.00 1.08 C ATOM 0 HA PRO A 11 134.273 3.760 -9.103 1.00 0.93 H new ATOM 0 HB2 PRO A 11 135.196 6.006 -10.398 1.00 1.05 H new ATOM 0 HB3 PRO A 11 136.155 4.541 -10.334 1.00 1.05 H new ATOM 0 HG2 PRO A 11 134.611 5.684 -12.640 1.00 1.13 H new ATOM 0 HG3 PRO A 11 136.049 4.683 -12.668 1.00 1.13 H new ATOM 0 HD2 PRO A 11 133.398 3.766 -13.154 1.00 1.08 H new ATOM 0 HD3 PRO A 11 134.787 2.737 -12.868 1.00 1.08 H new ATOM 183 N ALA A 12 132.919 5.911 -8.750 1.00 0.82 N ATOM 184 CA ALA A 12 131.811 6.857 -8.443 1.00 0.77 C ATOM 185 C ALA A 12 132.333 7.975 -7.541 1.00 0.80 C ATOM 186 O ALA A 12 133.355 7.841 -6.898 1.00 0.89 O ATOM 187 CB ALA A 12 130.685 6.108 -7.728 1.00 0.71 C ATOM 0 H ALA A 12 133.688 5.912 -8.080 1.00 0.82 H new ATOM 0 HA ALA A 12 131.430 7.286 -9.370 1.00 0.77 H new ATOM 0 HB1 ALA A 12 129.873 6.800 -7.503 1.00 0.71 H new ATOM 0 HB2 ALA A 12 130.314 5.310 -8.371 1.00 0.71 H new ATOM 0 HB3 ALA A 12 131.065 5.680 -6.800 1.00 0.71 H new ATOM 193 N THR A 13 131.642 9.081 -7.489 1.00 0.77 N ATOM 194 CA THR A 13 132.106 10.205 -6.628 1.00 0.83 C ATOM 195 C THR A 13 130.975 10.642 -5.696 1.00 0.77 C ATOM 196 O THR A 13 129.972 11.173 -6.128 1.00 0.81 O ATOM 197 CB THR A 13 132.522 11.384 -7.510 1.00 0.91 C ATOM 198 OG1 THR A 13 133.066 10.893 -8.727 1.00 0.95 O ATOM 199 CG2 THR A 13 133.571 12.223 -6.780 1.00 1.04 C ATOM 0 H THR A 13 130.779 9.254 -8.004 1.00 0.77 H new ATOM 0 HA THR A 13 132.957 9.875 -6.033 1.00 0.83 H new ATOM 0 HB THR A 13 131.651 12.004 -7.725 1.00 0.91 H new ATOM 0 HG1 THR A 13 133.332 11.647 -9.294 1.00 0.95 H new ATOM 0 HG21 THR A 13 133.867 13.063 -7.409 1.00 1.04 H new ATOM 0 HG22 THR A 13 133.151 12.599 -5.847 1.00 1.04 H new ATOM 0 HG23 THR A 13 134.444 11.607 -6.563 1.00 1.04 H new ATOM 207 N LEU A 14 131.131 10.427 -4.417 1.00 0.82 N ATOM 208 CA LEU A 14 130.065 10.836 -3.460 1.00 0.79 C ATOM 209 C LEU A 14 129.770 12.326 -3.640 1.00 0.83 C ATOM 210 O LEU A 14 130.664 13.128 -3.822 1.00 0.94 O ATOM 211 CB LEU A 14 130.537 10.580 -2.026 1.00 0.88 C ATOM 212 CG LEU A 14 129.500 11.127 -1.043 1.00 0.91 C ATOM 213 CD1 LEU A 14 128.190 10.352 -1.195 1.00 1.36 C ATOM 214 CD2 LEU A 14 130.020 10.969 0.388 1.00 1.65 C ATOM 0 H LEU A 14 131.949 9.987 -3.995 1.00 0.82 H new ATOM 0 HA LEU A 14 129.162 10.257 -3.652 1.00 0.79 H new ATOM 0 HB2 LEU A 14 130.680 9.512 -1.864 1.00 0.88 H new ATOM 0 HB3 LEU A 14 131.501 11.059 -1.858 1.00 0.88 H new ATOM 0 HG LEU A 14 129.324 12.182 -1.253 1.00 0.91 H new ATOM 0 HD11 LEU A 14 127.453 10.743 -0.494 1.00 1.36 H new ATOM 0 HD12 LEU A 14 127.817 10.463 -2.213 1.00 1.36 H new ATOM 0 HD13 LEU A 14 128.365 9.297 -0.986 1.00 1.36 H new ATOM 0 HD21 LEU A 14 129.281 11.359 1.089 1.00 1.65 H new ATOM 0 HD22 LEU A 14 130.197 9.914 0.596 1.00 1.65 H new ATOM 0 HD23 LEU A 14 130.953 11.522 0.499 1.00 1.65 H new ATOM 226 N ILE A 15 128.522 12.703 -3.592 1.00 0.83 N ATOM 227 CA ILE A 15 128.172 14.142 -3.762 1.00 0.89 C ATOM 228 C ILE A 15 127.368 14.617 -2.552 1.00 0.89 C ATOM 229 O ILE A 15 127.775 15.512 -1.837 1.00 1.02 O ATOM 230 CB ILE A 15 127.334 14.320 -5.029 1.00 0.87 C ATOM 231 CG1 ILE A 15 128.176 13.956 -6.254 1.00 0.93 C ATOM 232 CG2 ILE A 15 126.879 15.776 -5.140 1.00 0.96 C ATOM 233 CD1 ILE A 15 127.377 14.249 -7.525 1.00 0.94 C ATOM 0 H ILE A 15 127.730 12.078 -3.443 1.00 0.83 H new ATOM 0 HA ILE A 15 129.087 14.729 -3.846 1.00 0.89 H new ATOM 0 HB ILE A 15 126.461 13.669 -4.980 1.00 0.87 H new ATOM 0 HG12 ILE A 15 129.104 14.528 -6.254 1.00 0.93 H new ATOM 0 HG13 ILE A 15 128.452 12.902 -6.219 1.00 0.93 H new ATOM 0 HG21 ILE A 15 126.282 15.903 -6.043 1.00 0.96 H new ATOM 0 HG22 ILE A 15 126.279 16.037 -4.268 1.00 0.96 H new ATOM 0 HG23 ILE A 15 127.752 16.427 -5.188 1.00 0.96 H new ATOM 0 HD11 ILE A 15 127.975 13.990 -8.399 1.00 0.94 H new ATOM 0 HD12 ILE A 15 126.462 13.657 -7.524 1.00 0.94 H new ATOM 0 HD13 ILE A 15 127.124 15.309 -7.559 1.00 0.94 H new ATOM 245 N LYS A 16 126.226 14.030 -2.316 1.00 0.79 N ATOM 246 CA LYS A 16 125.401 14.456 -1.151 1.00 0.81 C ATOM 247 C LYS A 16 124.470 13.316 -0.733 1.00 0.75 C ATOM 248 O LYS A 16 123.578 12.930 -1.461 1.00 0.74 O ATOM 249 CB LYS A 16 124.567 15.677 -1.540 1.00 0.87 C ATOM 250 CG LYS A 16 123.878 16.238 -0.295 1.00 1.10 C ATOM 251 CD LYS A 16 123.078 17.487 -0.670 1.00 1.65 C ATOM 252 CE LYS A 16 122.379 18.036 0.574 1.00 2.15 C ATOM 253 NZ LYS A 16 121.031 17.413 0.702 1.00 2.97 N ATOM 0 H LYS A 16 125.830 13.276 -2.878 1.00 0.79 H new ATOM 0 HA LYS A 16 126.056 14.710 -0.318 1.00 0.81 H new ATOM 0 HB2 LYS A 16 125.204 16.438 -1.991 1.00 0.87 H new ATOM 0 HB3 LYS A 16 123.823 15.400 -2.287 1.00 0.87 H new ATOM 0 HG2 LYS A 16 123.217 15.487 0.137 1.00 1.10 H new ATOM 0 HG3 LYS A 16 124.620 16.484 0.464 1.00 1.10 H new ATOM 0 HD2 LYS A 16 123.740 18.243 -1.092 1.00 1.65 H new ATOM 0 HD3 LYS A 16 122.342 17.244 -1.437 1.00 1.65 H new ATOM 0 HE2 LYS A 16 122.975 17.825 1.462 1.00 2.15 H new ATOM 0 HE3 LYS A 16 122.285 19.120 0.503 1.00 2.15 H new ATOM 0 HZ1 LYS A 16 120.555 17.786 1.548 1.00 2.97 H new ATOM 0 HZ2 LYS A 16 120.464 17.636 -0.141 1.00 2.97 H new ATOM 0 HZ3 LYS A 16 121.132 16.382 0.788 1.00 2.97 H new ATOM 267 N ALA A 17 124.668 12.779 0.441 1.00 0.75 N ATOM 268 CA ALA A 17 123.791 11.670 0.911 1.00 0.72 C ATOM 269 C ALA A 17 122.494 12.259 1.472 1.00 0.77 C ATOM 270 O ALA A 17 122.502 13.275 2.137 1.00 0.91 O ATOM 271 CB ALA A 17 124.511 10.880 2.005 1.00 0.77 C ATOM 0 H ALA A 17 125.399 13.061 1.094 1.00 0.75 H new ATOM 0 HA ALA A 17 123.561 11.005 0.079 1.00 0.72 H new ATOM 0 HB1 ALA A 17 123.870 10.068 2.349 1.00 0.77 H new ATOM 0 HB2 ALA A 17 125.437 10.466 1.606 1.00 0.77 H new ATOM 0 HB3 ALA A 17 124.740 11.541 2.841 1.00 0.77 H new ATOM 277 N ILE A 18 121.380 11.635 1.205 1.00 0.73 N ATOM 278 CA ILE A 18 120.088 12.170 1.720 1.00 0.82 C ATOM 279 C ILE A 18 119.496 11.197 2.743 1.00 0.84 C ATOM 280 O ILE A 18 119.175 11.571 3.854 1.00 0.99 O ATOM 281 CB ILE A 18 119.112 12.346 0.556 1.00 0.85 C ATOM 282 CG1 ILE A 18 119.845 12.986 -0.625 1.00 0.86 C ATOM 283 CG2 ILE A 18 117.957 13.251 0.989 1.00 1.00 C ATOM 284 CD1 ILE A 18 118.952 12.942 -1.867 1.00 1.02 C ATOM 0 H ILE A 18 121.308 10.780 0.654 1.00 0.73 H new ATOM 0 HA ILE A 18 120.261 13.133 2.200 1.00 0.82 H new ATOM 0 HB ILE A 18 118.718 11.374 0.260 1.00 0.85 H new ATOM 0 HG12 ILE A 18 120.106 14.018 -0.388 1.00 0.86 H new ATOM 0 HG13 ILE A 18 120.779 12.457 -0.817 1.00 0.86 H new ATOM 0 HG21 ILE A 18 117.262 13.376 0.159 1.00 1.00 H new ATOM 0 HG22 ILE A 18 117.437 12.798 1.833 1.00 1.00 H new ATOM 0 HG23 ILE A 18 118.348 14.225 1.284 1.00 1.00 H new ATOM 0 HD11 ILE A 18 119.475 13.398 -2.708 1.00 1.02 H new ATOM 0 HD12 ILE A 18 118.713 11.906 -2.107 1.00 1.02 H new ATOM 0 HD13 ILE A 18 118.031 13.491 -1.672 1.00 1.02 H new ATOM 296 N ASP A 19 119.346 9.952 2.380 1.00 0.76 N ATOM 297 CA ASP A 19 118.773 8.964 3.337 1.00 0.80 C ATOM 298 C ASP A 19 119.758 7.809 3.532 1.00 0.76 C ATOM 299 O ASP A 19 120.887 7.862 3.086 1.00 0.77 O ATOM 300 CB ASP A 19 117.453 8.423 2.782 1.00 0.83 C ATOM 301 CG ASP A 19 116.319 9.389 3.132 1.00 1.44 C ATOM 302 OD1 ASP A 19 116.585 10.360 3.821 1.00 1.84 O ATOM 303 OD2 ASP A 19 115.203 9.140 2.705 1.00 2.30 O ATOM 0 H ASP A 19 119.595 9.577 1.464 1.00 0.76 H new ATOM 0 HA ASP A 19 118.592 9.450 4.296 1.00 0.80 H new ATOM 0 HB2 ASP A 19 117.523 8.303 1.701 1.00 0.83 H new ATOM 0 HB3 ASP A 19 117.247 7.437 3.199 1.00 0.83 H new ATOM 308 N GLY A 20 119.340 6.766 4.197 1.00 0.78 N ATOM 309 CA GLY A 20 120.254 5.610 4.422 1.00 0.79 C ATOM 310 C GLY A 20 120.419 4.824 3.120 1.00 0.74 C ATOM 311 O GLY A 20 121.499 4.381 2.784 1.00 0.89 O ATOM 0 H GLY A 20 118.406 6.665 4.594 1.00 0.78 H new ATOM 0 HA2 GLY A 20 121.224 5.963 4.770 1.00 0.79 H new ATOM 0 HA3 GLY A 20 119.852 4.962 5.201 1.00 0.79 H new ATOM 315 N ASP A 21 119.356 4.648 2.384 1.00 0.67 N ATOM 316 CA ASP A 21 119.454 3.892 1.104 1.00 0.67 C ATOM 317 C ASP A 21 119.427 4.874 -0.069 1.00 0.60 C ATOM 318 O ASP A 21 119.234 4.492 -1.206 1.00 0.72 O ATOM 319 CB ASP A 21 118.270 2.930 0.990 1.00 0.82 C ATOM 320 CG ASP A 21 118.567 1.656 1.784 1.00 1.35 C ATOM 321 OD1 ASP A 21 119.727 1.426 2.084 1.00 2.18 O ATOM 322 OD2 ASP A 21 117.629 0.933 2.078 1.00 1.92 O ATOM 0 H ASP A 21 118.425 4.995 2.614 1.00 0.67 H new ATOM 0 HA ASP A 21 120.386 3.327 1.084 1.00 0.67 H new ATOM 0 HB2 ASP A 21 117.365 3.404 1.369 1.00 0.82 H new ATOM 0 HB3 ASP A 21 118.087 2.685 -0.056 1.00 0.82 H new ATOM 327 N THR A 22 119.618 6.138 0.196 1.00 0.60 N ATOM 328 CA THR A 22 119.600 7.141 -0.906 1.00 0.57 C ATOM 329 C THR A 22 120.841 8.031 -0.810 1.00 0.53 C ATOM 330 O THR A 22 120.996 8.800 0.118 1.00 0.61 O ATOM 331 CB THR A 22 118.343 8.007 -0.787 1.00 0.67 C ATOM 332 OG1 THR A 22 117.313 7.259 -0.157 1.00 0.77 O ATOM 333 CG2 THR A 22 117.885 8.439 -2.181 1.00 0.81 C ATOM 0 H THR A 22 119.786 6.519 1.127 1.00 0.60 H new ATOM 0 HA THR A 22 119.598 6.624 -1.866 1.00 0.57 H new ATOM 0 HB THR A 22 118.566 8.892 -0.191 1.00 0.67 H new ATOM 0 HG1 THR A 22 116.529 7.832 -0.021 1.00 0.77 H new ATOM 0 HG21 THR A 22 116.990 9.055 -2.095 1.00 0.81 H new ATOM 0 HG22 THR A 22 118.677 9.013 -2.662 1.00 0.81 H new ATOM 0 HG23 THR A 22 117.662 7.556 -2.780 1.00 0.81 H new ATOM 341 N VAL A 23 121.725 7.937 -1.766 1.00 0.50 N ATOM 342 CA VAL A 23 122.952 8.780 -1.733 1.00 0.52 C ATOM 343 C VAL A 23 123.288 9.241 -3.152 1.00 0.52 C ATOM 344 O VAL A 23 123.501 8.441 -4.041 1.00 0.52 O ATOM 345 CB VAL A 23 124.119 7.968 -1.171 1.00 0.53 C ATOM 346 CG1 VAL A 23 123.970 7.841 0.346 1.00 0.56 C ATOM 347 CG2 VAL A 23 124.119 6.573 -1.802 1.00 0.55 C ATOM 0 H VAL A 23 121.650 7.312 -2.569 1.00 0.50 H new ATOM 0 HA VAL A 23 122.778 9.648 -1.098 1.00 0.52 H new ATOM 0 HB VAL A 23 125.057 8.473 -1.402 1.00 0.53 H new ATOM 0 HG11 VAL A 23 124.802 7.262 0.746 1.00 0.56 H new ATOM 0 HG12 VAL A 23 123.969 8.834 0.796 1.00 0.56 H new ATOM 0 HG13 VAL A 23 123.032 7.337 0.579 1.00 0.56 H new ATOM 0 HG21 VAL A 23 124.951 5.993 -1.402 1.00 0.55 H new ATOM 0 HG22 VAL A 23 123.181 6.069 -1.571 1.00 0.55 H new ATOM 0 HG23 VAL A 23 124.226 6.663 -2.883 1.00 0.55 H new ATOM 357 N LYS A 24 123.335 10.526 -3.373 1.00 0.58 N ATOM 358 CA LYS A 24 123.654 11.035 -4.736 1.00 0.60 C ATOM 359 C LYS A 24 125.167 11.010 -4.952 1.00 0.60 C ATOM 360 O LYS A 24 125.917 11.629 -4.224 1.00 0.65 O ATOM 361 CB LYS A 24 123.144 12.471 -4.878 1.00 0.68 C ATOM 362 CG LYS A 24 121.623 12.491 -4.713 1.00 0.75 C ATOM 363 CD LYS A 24 121.008 13.425 -5.757 1.00 1.04 C ATOM 364 CE LYS A 24 119.640 13.903 -5.269 1.00 1.53 C ATOM 365 NZ LYS A 24 119.077 14.878 -6.245 1.00 1.81 N ATOM 0 H LYS A 24 123.166 11.245 -2.669 1.00 0.58 H new ATOM 0 HA LYS A 24 123.171 10.401 -5.480 1.00 0.60 H new ATOM 0 HB2 LYS A 24 123.610 13.110 -4.128 1.00 0.68 H new ATOM 0 HB3 LYS A 24 123.420 12.871 -5.854 1.00 0.68 H new ATOM 0 HG2 LYS A 24 121.221 11.484 -4.828 1.00 0.75 H new ATOM 0 HG3 LYS A 24 121.360 12.826 -3.710 1.00 0.75 H new ATOM 0 HD2 LYS A 24 121.664 14.279 -5.928 1.00 1.04 H new ATOM 0 HD3 LYS A 24 120.905 12.906 -6.710 1.00 1.04 H new ATOM 0 HE2 LYS A 24 118.965 13.054 -5.156 1.00 1.53 H new ATOM 0 HE3 LYS A 24 119.734 14.368 -4.288 1.00 1.53 H new ATOM 0 HZ1 LYS A 24 118.147 15.203 -5.913 1.00 1.81 H new ATOM 0 HZ2 LYS A 24 119.718 15.692 -6.331 1.00 1.81 H new ATOM 0 HZ3 LYS A 24 118.973 14.420 -7.173 1.00 1.81 H new ATOM 379 N LEU A 25 125.621 10.302 -5.949 1.00 0.58 N ATOM 380 CA LEU A 25 127.086 10.242 -6.212 1.00 0.61 C ATOM 381 C LEU A 25 127.368 10.803 -7.606 1.00 0.65 C ATOM 382 O LEU A 25 126.582 11.549 -8.158 1.00 0.80 O ATOM 383 CB LEU A 25 127.567 8.788 -6.147 1.00 0.56 C ATOM 384 CG LEU A 25 126.687 7.993 -5.180 1.00 0.52 C ATOM 385 CD1 LEU A 25 127.103 6.522 -5.204 1.00 0.64 C ATOM 386 CD2 LEU A 25 126.856 8.548 -3.764 1.00 0.82 C ATOM 0 H LEU A 25 125.041 9.763 -6.592 1.00 0.58 H new ATOM 0 HA LEU A 25 127.613 10.830 -5.460 1.00 0.61 H new ATOM 0 HB2 LEU A 25 127.530 8.339 -7.139 1.00 0.56 H new ATOM 0 HB3 LEU A 25 128.606 8.753 -5.820 1.00 0.56 H new ATOM 0 HG LEU A 25 125.643 8.080 -5.483 1.00 0.52 H new ATOM 0 HD11 LEU A 25 126.476 5.955 -4.515 1.00 0.64 H new ATOM 0 HD12 LEU A 25 126.983 6.126 -6.213 1.00 0.64 H new ATOM 0 HD13 LEU A 25 128.146 6.434 -4.901 1.00 0.64 H new ATOM 0 HD21 LEU A 25 126.229 7.982 -3.074 1.00 0.82 H new ATOM 0 HD22 LEU A 25 127.899 8.461 -3.461 1.00 0.82 H new ATOM 0 HD23 LEU A 25 126.560 9.597 -3.746 1.00 0.82 H new ATOM 398 N MET A 26 128.482 10.444 -8.183 1.00 0.72 N ATOM 399 CA MET A 26 128.813 10.951 -9.543 1.00 0.76 C ATOM 400 C MET A 26 129.139 9.768 -10.455 1.00 0.75 C ATOM 401 O MET A 26 130.099 9.053 -10.242 1.00 0.78 O ATOM 402 CB MET A 26 130.021 11.886 -9.463 1.00 0.85 C ATOM 403 CG MET A 26 129.948 12.915 -10.594 1.00 0.93 C ATOM 404 SD MET A 26 129.659 14.560 -9.896 1.00 1.51 S ATOM 405 CE MET A 26 129.298 15.412 -11.452 1.00 1.80 C ATOM 0 H MET A 26 129.177 9.821 -7.771 1.00 0.72 H new ATOM 0 HA MET A 26 127.962 11.500 -9.946 1.00 0.76 H new ATOM 0 HB2 MET A 26 130.039 12.392 -8.498 1.00 0.85 H new ATOM 0 HB3 MET A 26 130.944 11.312 -9.539 1.00 0.85 H new ATOM 0 HG2 MET A 26 130.876 12.909 -11.166 1.00 0.93 H new ATOM 0 HG3 MET A 26 129.146 12.655 -11.285 1.00 0.93 H new ATOM 0 HE1 MET A 26 128.708 16.306 -11.249 1.00 1.80 H new ATOM 0 HE2 MET A 26 130.232 15.696 -11.936 1.00 1.80 H new ATOM 0 HE3 MET A 26 128.736 14.748 -12.109 1.00 1.80 H new ATOM 415 N TYR A 27 128.343 9.556 -11.467 1.00 0.78 N ATOM 416 CA TYR A 27 128.593 8.421 -12.399 1.00 0.79 C ATOM 417 C TYR A 27 128.812 8.967 -13.812 1.00 0.89 C ATOM 418 O TYR A 27 128.051 9.780 -14.297 1.00 0.94 O ATOM 419 CB TYR A 27 127.381 7.487 -12.394 1.00 0.78 C ATOM 420 CG TYR A 27 127.702 6.233 -13.170 1.00 0.80 C ATOM 421 CD1 TYR A 27 128.627 5.313 -12.662 1.00 0.81 C ATOM 422 CD2 TYR A 27 127.073 5.989 -14.396 1.00 0.92 C ATOM 423 CE1 TYR A 27 128.922 4.148 -13.381 1.00 0.90 C ATOM 424 CE2 TYR A 27 127.369 4.825 -15.115 1.00 1.00 C ATOM 425 CZ TYR A 27 128.293 3.905 -14.608 1.00 0.98 C ATOM 426 OH TYR A 27 128.584 2.757 -15.316 1.00 1.12 O ATOM 0 H TYR A 27 127.525 10.124 -11.689 1.00 0.78 H new ATOM 0 HA TYR A 27 129.478 7.870 -12.080 1.00 0.79 H new ATOM 0 HB2 TYR A 27 127.110 7.233 -11.369 1.00 0.78 H new ATOM 0 HB3 TYR A 27 126.521 7.990 -12.836 1.00 0.78 H new ATOM 0 HD1 TYR A 27 129.113 5.502 -11.716 1.00 0.81 H new ATOM 0 HD2 TYR A 27 126.359 6.699 -14.787 1.00 0.92 H new ATOM 0 HE1 TYR A 27 129.634 3.437 -12.989 1.00 0.90 H new ATOM 0 HE2 TYR A 27 126.884 4.637 -16.061 1.00 1.00 H new ATOM 0 HH TYR A 27 128.214 1.980 -14.846 1.00 1.12 H new ATOM 436 N LYS A 28 129.850 8.530 -14.474 1.00 0.96 N ATOM 437 CA LYS A 28 130.123 9.025 -15.855 1.00 1.07 C ATOM 438 C LYS A 28 130.498 10.510 -15.806 1.00 1.13 C ATOM 439 O LYS A 28 130.646 11.155 -16.825 1.00 1.26 O ATOM 440 CB LYS A 28 128.879 8.840 -16.727 1.00 1.10 C ATOM 441 CG LYS A 28 129.038 7.586 -17.591 1.00 1.24 C ATOM 442 CD LYS A 28 129.441 6.404 -16.708 1.00 1.43 C ATOM 443 CE LYS A 28 129.080 5.095 -17.412 1.00 1.55 C ATOM 444 NZ LYS A 28 129.770 5.033 -18.731 1.00 2.07 N ATOM 0 H LYS A 28 130.522 7.850 -14.117 1.00 0.96 H new ATOM 0 HA LYS A 28 130.950 8.457 -16.282 1.00 1.07 H new ATOM 0 HB2 LYS A 28 127.993 8.751 -16.099 1.00 1.10 H new ATOM 0 HB3 LYS A 28 128.734 9.715 -17.361 1.00 1.10 H new ATOM 0 HG2 LYS A 28 128.103 7.366 -18.107 1.00 1.24 H new ATOM 0 HG3 LYS A 28 129.793 7.754 -18.359 1.00 1.24 H new ATOM 0 HD2 LYS A 28 130.511 6.437 -16.505 1.00 1.43 H new ATOM 0 HD3 LYS A 28 128.932 6.465 -15.746 1.00 1.43 H new ATOM 0 HE2 LYS A 28 129.374 4.245 -16.796 1.00 1.55 H new ATOM 0 HE3 LYS A 28 128.001 5.030 -17.551 1.00 1.55 H new ATOM 0 HZ1 LYS A 28 129.767 4.053 -19.079 1.00 2.07 H new ATOM 0 HZ2 LYS A 28 129.274 5.643 -19.411 1.00 2.07 H new ATOM 0 HZ3 LYS A 28 130.752 5.359 -18.625 1.00 2.07 H new ATOM 458 N GLY A 29 130.661 11.057 -14.630 1.00 1.10 N ATOM 459 CA GLY A 29 131.033 12.497 -14.523 1.00 1.22 C ATOM 460 C GLY A 29 129.783 13.342 -14.262 1.00 1.17 C ATOM 461 O GLY A 29 129.870 14.525 -13.997 1.00 1.39 O ATOM 0 H GLY A 29 130.553 10.569 -13.741 1.00 1.10 H new ATOM 0 HA2 GLY A 29 131.752 12.637 -13.715 1.00 1.22 H new ATOM 0 HA3 GLY A 29 131.519 12.825 -15.442 1.00 1.22 H new ATOM 465 N GLN A 30 128.622 12.751 -14.334 1.00 1.01 N ATOM 466 CA GLN A 30 127.375 13.530 -14.088 1.00 1.02 C ATOM 467 C GLN A 30 126.789 13.136 -12.730 1.00 0.92 C ATOM 468 O GLN A 30 127.061 12.066 -12.226 1.00 0.97 O ATOM 469 CB GLN A 30 126.350 13.240 -15.191 1.00 1.07 C ATOM 470 CG GLN A 30 126.608 11.860 -15.803 1.00 1.35 C ATOM 471 CD GLN A 30 125.525 11.554 -16.839 1.00 1.56 C ATOM 472 OE1 GLN A 30 125.622 11.969 -17.977 1.00 2.14 O ATOM 473 NE2 GLN A 30 124.488 10.841 -16.492 1.00 2.00 N ATOM 0 H GLN A 30 128.483 11.764 -14.552 1.00 1.01 H new ATOM 0 HA GLN A 30 127.611 14.594 -14.091 1.00 1.02 H new ATOM 0 HB2 GLN A 30 125.341 13.281 -14.780 1.00 1.07 H new ATOM 0 HB3 GLN A 30 126.410 14.006 -15.964 1.00 1.07 H new ATOM 0 HG2 GLN A 30 127.592 11.836 -16.271 1.00 1.35 H new ATOM 0 HG3 GLN A 30 126.607 11.098 -15.023 1.00 1.35 H new ATOM 0 HE21 GLN A 30 124.405 10.492 -15.537 1.00 2.00 H new ATOM 0 HE22 GLN A 30 123.760 10.633 -17.176 1.00 2.00 H new ATOM 482 N PRO A 31 125.998 14.020 -12.180 1.00 0.86 N ATOM 483 CA PRO A 31 125.334 13.818 -10.861 1.00 0.82 C ATOM 484 C PRO A 31 124.163 12.839 -10.995 1.00 0.79 C ATOM 485 O PRO A 31 123.432 12.860 -11.965 1.00 0.85 O ATOM 486 CB PRO A 31 124.833 15.213 -10.497 1.00 0.87 C ATOM 487 CG PRO A 31 124.670 15.964 -11.821 1.00 0.90 C ATOM 488 CD PRO A 31 125.665 15.334 -12.801 1.00 0.90 C ATOM 0 HA PRO A 31 125.999 13.396 -10.107 1.00 0.82 H new ATOM 0 HB2 PRO A 31 123.886 15.159 -9.960 1.00 0.87 H new ATOM 0 HB3 PRO A 31 125.541 15.723 -9.844 1.00 0.87 H new ATOM 0 HG2 PRO A 31 123.649 15.877 -12.194 1.00 0.90 H new ATOM 0 HG3 PRO A 31 124.872 17.027 -11.692 1.00 0.90 H new ATOM 0 HD2 PRO A 31 125.226 15.208 -13.791 1.00 0.90 H new ATOM 0 HD3 PRO A 31 126.553 15.955 -12.923 1.00 0.90 H new ATOM 496 N MET A 32 123.980 11.981 -10.028 1.00 0.78 N ATOM 497 CA MET A 32 122.857 11.005 -10.103 1.00 0.79 C ATOM 498 C MET A 32 122.579 10.436 -8.710 1.00 0.74 C ATOM 499 O MET A 32 123.410 10.500 -7.826 1.00 0.76 O ATOM 500 CB MET A 32 123.233 9.867 -11.055 1.00 0.89 C ATOM 501 CG MET A 32 122.246 9.831 -12.225 1.00 0.95 C ATOM 502 SD MET A 32 122.607 8.401 -13.274 1.00 1.16 S ATOM 503 CE MET A 32 122.352 7.127 -12.016 1.00 1.00 C ATOM 0 H MET A 32 124.559 11.914 -9.191 1.00 0.78 H new ATOM 0 HA MET A 32 121.963 11.508 -10.473 1.00 0.79 H new ATOM 0 HB2 MET A 32 124.248 10.010 -11.426 1.00 0.89 H new ATOM 0 HB3 MET A 32 123.219 8.915 -10.524 1.00 0.89 H new ATOM 0 HG2 MET A 32 121.224 9.772 -11.851 1.00 0.95 H new ATOM 0 HG3 MET A 32 122.321 10.750 -12.806 1.00 0.95 H new ATOM 0 HE1 MET A 32 121.900 6.248 -12.475 1.00 1.00 H new ATOM 0 HE2 MET A 32 123.311 6.854 -11.576 1.00 1.00 H new ATOM 0 HE3 MET A 32 121.692 7.511 -11.238 1.00 1.00 H new ATOM 513 N THR A 33 121.416 9.877 -8.508 1.00 0.73 N ATOM 514 CA THR A 33 121.086 9.303 -7.174 1.00 0.69 C ATOM 515 C THR A 33 121.171 7.778 -7.246 1.00 0.68 C ATOM 516 O THR A 33 120.871 7.180 -8.258 1.00 0.93 O ATOM 517 CB THR A 33 119.667 9.716 -6.774 1.00 0.75 C ATOM 518 OG1 THR A 33 119.486 11.099 -7.043 1.00 1.53 O ATOM 519 CG2 THR A 33 119.458 9.451 -5.281 1.00 1.55 C ATOM 0 H THR A 33 120.681 9.794 -9.210 1.00 0.73 H new ATOM 0 HA THR A 33 121.793 9.675 -6.432 1.00 0.69 H new ATOM 0 HB THR A 33 118.943 9.136 -7.347 1.00 0.75 H new ATOM 0 HG1 THR A 33 118.578 11.365 -6.789 1.00 1.53 H new ATOM 0 HG21 THR A 33 118.448 9.745 -4.997 1.00 1.55 H new ATOM 0 HG22 THR A 33 119.598 8.389 -5.077 1.00 1.55 H new ATOM 0 HG23 THR A 33 120.180 10.029 -4.704 1.00 1.55 H new ATOM 527 N PHE A 34 121.578 7.144 -6.182 1.00 0.56 N ATOM 528 CA PHE A 34 121.679 5.658 -6.196 1.00 0.54 C ATOM 529 C PHE A 34 120.897 5.084 -5.015 1.00 0.53 C ATOM 530 O PHE A 34 120.844 5.666 -3.950 1.00 0.57 O ATOM 531 CB PHE A 34 123.147 5.245 -6.084 1.00 0.51 C ATOM 532 CG PHE A 34 123.791 5.293 -7.448 1.00 0.55 C ATOM 533 CD1 PHE A 34 124.263 6.508 -7.958 1.00 0.55 C ATOM 534 CD2 PHE A 34 123.917 4.120 -8.201 1.00 0.63 C ATOM 535 CE1 PHE A 34 124.862 6.550 -9.223 1.00 0.61 C ATOM 536 CE2 PHE A 34 124.515 4.163 -9.466 1.00 0.70 C ATOM 537 CZ PHE A 34 124.988 5.377 -9.977 1.00 0.67 C ATOM 0 H PHE A 34 121.845 7.590 -5.304 1.00 0.56 H new ATOM 0 HA PHE A 34 121.264 5.274 -7.128 1.00 0.54 H new ATOM 0 HB2 PHE A 34 123.672 5.911 -5.399 1.00 0.51 H new ATOM 0 HB3 PHE A 34 123.222 4.239 -5.670 1.00 0.51 H new ATOM 0 HD1 PHE A 34 124.165 7.413 -7.376 1.00 0.55 H new ATOM 0 HD2 PHE A 34 123.553 3.183 -7.807 1.00 0.63 H new ATOM 0 HE1 PHE A 34 125.227 7.487 -9.617 1.00 0.61 H new ATOM 0 HE2 PHE A 34 124.611 3.258 -10.048 1.00 0.70 H new ATOM 0 HZ PHE A 34 125.450 5.409 -10.953 1.00 0.67 H new ATOM 547 N ARG A 35 120.287 3.945 -5.195 1.00 0.57 N ATOM 548 CA ARG A 35 119.506 3.336 -4.083 1.00 0.60 C ATOM 549 C ARG A 35 120.045 1.936 -3.782 1.00 0.60 C ATOM 550 O ARG A 35 120.109 1.085 -4.647 1.00 0.72 O ATOM 551 CB ARG A 35 118.034 3.240 -4.489 1.00 0.71 C ATOM 552 CG ARG A 35 117.178 4.038 -3.503 1.00 1.00 C ATOM 553 CD ARG A 35 116.791 3.144 -2.324 1.00 0.85 C ATOM 554 NE ARG A 35 116.481 3.992 -1.139 1.00 1.29 N ATOM 555 CZ ARG A 35 115.257 4.072 -0.697 1.00 1.41 C ATOM 556 NH1 ARG A 35 114.734 3.071 -0.044 1.00 1.65 N ATOM 557 NH2 ARG A 35 114.555 5.152 -0.909 1.00 2.13 N ATOM 0 H ARG A 35 120.296 3.410 -6.064 1.00 0.57 H new ATOM 0 HA ARG A 35 119.599 3.957 -3.192 1.00 0.60 H new ATOM 0 HB2 ARG A 35 117.899 3.626 -5.499 1.00 0.71 H new ATOM 0 HB3 ARG A 35 117.717 2.197 -4.501 1.00 0.71 H new ATOM 0 HG2 ARG A 35 117.730 4.908 -3.148 1.00 1.00 H new ATOM 0 HG3 ARG A 35 116.282 4.410 -4.001 1.00 1.00 H new ATOM 0 HD2 ARG A 35 115.926 2.534 -2.585 1.00 0.85 H new ATOM 0 HD3 ARG A 35 117.606 2.458 -2.091 1.00 0.85 H new ATOM 0 HE ARG A 35 117.226 4.510 -0.673 1.00 1.29 H new ATOM 0 HH11 ARG A 35 115.283 2.227 0.120 1.00 1.65 H new ATOM 0 HH12 ARG A 35 113.777 3.132 0.302 1.00 1.65 H new ATOM 0 HH21 ARG A 35 114.964 5.934 -1.421 1.00 2.13 H new ATOM 0 HH22 ARG A 35 113.597 5.214 -0.563 1.00 2.13 H new ATOM 571 N LEU A 36 120.429 1.689 -2.559 1.00 0.56 N ATOM 572 CA LEU A 36 120.960 0.344 -2.200 1.00 0.58 C ATOM 573 C LEU A 36 119.976 -0.731 -2.672 1.00 0.65 C ATOM 574 O LEU A 36 118.785 -0.635 -2.452 1.00 0.69 O ATOM 575 CB LEU A 36 121.135 0.257 -0.683 1.00 0.59 C ATOM 576 CG LEU A 36 122.128 1.327 -0.225 1.00 0.59 C ATOM 577 CD1 LEU A 36 122.321 1.232 1.289 1.00 0.63 C ATOM 578 CD2 LEU A 36 123.472 1.108 -0.924 1.00 0.64 C ATOM 0 H LEU A 36 120.398 2.361 -1.793 1.00 0.56 H new ATOM 0 HA LEU A 36 121.924 0.187 -2.683 1.00 0.58 H new ATOM 0 HB2 LEU A 36 120.175 0.399 -0.186 1.00 0.59 H new ATOM 0 HB3 LEU A 36 121.495 -0.733 -0.403 1.00 0.59 H new ATOM 0 HG LEU A 36 121.741 2.313 -0.480 1.00 0.59 H new ATOM 0 HD11 LEU A 36 123.029 1.995 1.614 1.00 0.63 H new ATOM 0 HD12 LEU A 36 121.365 1.388 1.788 1.00 0.63 H new ATOM 0 HD13 LEU A 36 122.708 0.246 1.545 1.00 0.63 H new ATOM 0 HD21 LEU A 36 124.180 1.870 -0.598 1.00 0.64 H new ATOM 0 HD22 LEU A 36 123.858 0.121 -0.669 1.00 0.64 H new ATOM 0 HD23 LEU A 36 123.336 1.177 -2.003 1.00 0.64 H new ATOM 590 N LEU A 37 120.465 -1.745 -3.332 1.00 0.69 N ATOM 591 CA LEU A 37 119.561 -2.818 -3.835 1.00 0.78 C ATOM 592 C LEU A 37 119.414 -3.930 -2.791 1.00 0.83 C ATOM 593 O LEU A 37 120.296 -4.170 -1.990 1.00 0.83 O ATOM 594 CB LEU A 37 120.151 -3.409 -5.117 1.00 0.83 C ATOM 595 CG LEU A 37 119.697 -2.585 -6.323 1.00 0.86 C ATOM 596 CD1 LEU A 37 120.572 -2.927 -7.531 1.00 0.91 C ATOM 597 CD2 LEU A 37 118.237 -2.914 -6.646 1.00 0.98 C ATOM 0 H LEU A 37 121.454 -1.877 -3.545 1.00 0.69 H new ATOM 0 HA LEU A 37 118.579 -2.388 -4.033 1.00 0.78 H new ATOM 0 HB2 LEU A 37 121.239 -3.416 -5.058 1.00 0.83 H new ATOM 0 HB3 LEU A 37 119.832 -4.445 -5.232 1.00 0.83 H new ATOM 0 HG LEU A 37 119.789 -1.524 -6.093 1.00 0.86 H new ATOM 0 HD11 LEU A 37 120.250 -2.341 -8.391 1.00 0.91 H new ATOM 0 HD12 LEU A 37 121.613 -2.696 -7.304 1.00 0.91 H new ATOM 0 HD13 LEU A 37 120.478 -3.989 -7.760 1.00 0.91 H new ATOM 0 HD21 LEU A 37 117.913 -2.327 -7.505 1.00 0.98 H new ATOM 0 HD22 LEU A 37 118.146 -3.975 -6.876 1.00 0.98 H new ATOM 0 HD23 LEU A 37 117.611 -2.674 -5.786 1.00 0.98 H new ATOM 609 N LEU A 38 118.307 -4.625 -2.817 1.00 0.90 N ATOM 610 CA LEU A 38 118.088 -5.745 -1.855 1.00 0.97 C ATOM 611 C LEU A 38 118.036 -5.226 -0.414 1.00 0.95 C ATOM 612 O LEU A 38 118.035 -5.998 0.525 1.00 1.08 O ATOM 613 CB LEU A 38 119.230 -6.755 -1.986 1.00 0.99 C ATOM 614 CG LEU A 38 119.615 -6.903 -3.459 1.00 1.10 C ATOM 615 CD1 LEU A 38 120.580 -8.078 -3.621 1.00 1.15 C ATOM 616 CD2 LEU A 38 118.357 -7.160 -4.291 1.00 1.41 C ATOM 0 H LEU A 38 117.539 -4.463 -3.469 1.00 0.90 H new ATOM 0 HA LEU A 38 117.135 -6.221 -2.088 1.00 0.97 H new ATOM 0 HB2 LEU A 38 120.091 -6.423 -1.406 1.00 0.99 H new ATOM 0 HB3 LEU A 38 118.925 -7.720 -1.580 1.00 0.99 H new ATOM 0 HG LEU A 38 120.098 -5.987 -3.801 1.00 1.10 H new ATOM 0 HD11 LEU A 38 120.853 -8.182 -4.671 1.00 1.15 H new ATOM 0 HD12 LEU A 38 121.477 -7.897 -3.029 1.00 1.15 H new ATOM 0 HD13 LEU A 38 120.099 -8.994 -3.279 1.00 1.15 H new ATOM 0 HD21 LEU A 38 118.630 -7.266 -5.341 1.00 1.41 H new ATOM 0 HD22 LEU A 38 117.875 -8.075 -3.948 1.00 1.41 H new ATOM 0 HD23 LEU A 38 117.669 -6.323 -4.178 1.00 1.41 H new ATOM 628 N VAL A 39 117.988 -3.937 -0.218 1.00 0.90 N ATOM 629 CA VAL A 39 117.934 -3.412 1.177 1.00 0.88 C ATOM 630 C VAL A 39 116.891 -2.295 1.277 1.00 0.89 C ATOM 631 O VAL A 39 116.479 -1.724 0.287 1.00 0.97 O ATOM 632 CB VAL A 39 119.312 -2.873 1.577 1.00 0.87 C ATOM 633 CG1 VAL A 39 120.397 -3.837 1.094 1.00 1.05 C ATOM 634 CG2 VAL A 39 119.535 -1.499 0.941 1.00 1.18 C ATOM 0 H VAL A 39 117.984 -3.231 -0.954 1.00 0.90 H new ATOM 0 HA VAL A 39 117.652 -4.220 1.852 1.00 0.88 H new ATOM 0 HB VAL A 39 119.360 -2.781 2.662 1.00 0.87 H new ATOM 0 HG11 VAL A 39 121.377 -3.454 1.378 1.00 1.05 H new ATOM 0 HG12 VAL A 39 120.244 -4.815 1.550 1.00 1.05 H new ATOM 0 HG13 VAL A 39 120.345 -3.930 0.009 1.00 1.05 H new ATOM 0 HG21 VAL A 39 120.516 -1.120 1.228 1.00 1.18 H new ATOM 0 HG22 VAL A 39 119.484 -1.588 -0.144 1.00 1.18 H new ATOM 0 HG23 VAL A 39 118.764 -0.809 1.285 1.00 1.18 H new ATOM 644 N ASP A 40 116.464 -1.980 2.469 1.00 0.93 N ATOM 645 CA ASP A 40 115.452 -0.902 2.642 1.00 0.97 C ATOM 646 C ASP A 40 115.615 -0.271 4.027 1.00 0.93 C ATOM 647 O ASP A 40 115.832 -0.955 5.009 1.00 1.01 O ATOM 648 CB ASP A 40 114.047 -1.494 2.514 1.00 1.09 C ATOM 649 CG ASP A 40 113.007 -0.394 2.734 1.00 1.28 C ATOM 650 OD1 ASP A 40 112.865 0.444 1.858 1.00 1.77 O ATOM 651 OD2 ASP A 40 112.369 -0.409 3.774 1.00 1.82 O ATOM 0 H ASP A 40 116.774 -2.425 3.333 1.00 0.93 H new ATOM 0 HA ASP A 40 115.596 -0.141 1.875 1.00 0.97 H new ATOM 0 HB2 ASP A 40 113.917 -1.940 1.528 1.00 1.09 H new ATOM 0 HB3 ASP A 40 113.909 -2.291 3.245 1.00 1.09 H new ATOM 656 N THR A 41 115.511 1.027 4.115 1.00 0.93 N ATOM 657 CA THR A 41 115.660 1.697 5.437 1.00 0.94 C ATOM 658 C THR A 41 114.351 1.566 6.221 1.00 1.04 C ATOM 659 O THR A 41 113.323 1.244 5.660 1.00 1.19 O ATOM 660 CB THR A 41 115.983 3.179 5.229 1.00 1.13 C ATOM 661 OG1 THR A 41 114.790 3.883 4.915 1.00 1.32 O ATOM 662 CG2 THR A 41 116.983 3.329 4.082 1.00 2.05 C ATOM 0 H THR A 41 115.329 1.651 3.329 1.00 0.93 H new ATOM 0 HA THR A 41 116.470 1.226 5.994 1.00 0.94 H new ATOM 0 HB THR A 41 116.417 3.588 6.142 1.00 1.13 H new ATOM 0 HG1 THR A 41 114.815 4.168 3.978 1.00 1.32 H new ATOM 0 HG21 THR A 41 117.212 4.384 3.935 1.00 2.05 H new ATOM 0 HG22 THR A 41 117.898 2.789 4.324 1.00 2.05 H new ATOM 0 HG23 THR A 41 116.552 2.920 3.168 1.00 2.05 H new ATOM 670 N PRO A 42 114.433 1.819 7.501 1.00 1.10 N ATOM 671 CA PRO A 42 113.274 1.745 8.427 1.00 1.34 C ATOM 672 C PRO A 42 112.463 3.044 8.379 1.00 1.51 C ATOM 673 O PRO A 42 112.354 3.755 9.358 1.00 2.02 O ATOM 674 CB PRO A 42 113.928 1.562 9.793 1.00 1.43 C ATOM 675 CG PRO A 42 115.338 2.156 9.684 1.00 1.29 C ATOM 676 CD PRO A 42 115.693 2.210 8.190 1.00 1.09 C ATOM 0 HA PRO A 42 112.575 0.946 8.180 1.00 1.34 H new ATOM 0 HB2 PRO A 42 113.353 2.067 10.569 1.00 1.43 H new ATOM 0 HB3 PRO A 42 113.971 0.507 10.064 1.00 1.43 H new ATOM 0 HG2 PRO A 42 115.371 3.153 10.124 1.00 1.29 H new ATOM 0 HG3 PRO A 42 116.057 1.544 10.229 1.00 1.29 H new ATOM 0 HD2 PRO A 42 116.016 3.208 7.893 1.00 1.09 H new ATOM 0 HD3 PRO A 42 116.507 1.527 7.949 1.00 1.09 H new ATOM 684 N GLU A 43 111.893 3.357 7.249 1.00 1.83 N ATOM 685 CA GLU A 43 111.090 4.608 7.141 1.00 2.10 C ATOM 686 C GLU A 43 111.947 5.805 7.559 1.00 1.57 C ATOM 687 O GLU A 43 112.033 6.143 8.723 1.00 1.73 O ATOM 688 CB GLU A 43 109.869 4.511 8.059 1.00 2.97 C ATOM 689 CG GLU A 43 108.668 4.000 7.260 1.00 3.49 C ATOM 690 CD GLU A 43 108.785 2.487 7.068 1.00 4.30 C ATOM 691 OE1 GLU A 43 109.795 1.935 7.473 1.00 4.85 O ATOM 692 OE2 GLU A 43 107.863 1.906 6.521 1.00 4.74 O ATOM 0 H GLU A 43 111.948 2.801 6.396 1.00 1.83 H new ATOM 0 HA GLU A 43 110.762 4.739 6.110 1.00 2.10 H new ATOM 0 HB2 GLU A 43 110.079 3.838 8.891 1.00 2.97 H new ATOM 0 HB3 GLU A 43 109.645 5.488 8.488 1.00 2.97 H new ATOM 0 HG2 GLU A 43 107.742 4.240 7.783 1.00 3.49 H new ATOM 0 HG3 GLU A 43 108.625 4.497 6.291 1.00 3.49 H new ATOM 699 N THR A 44 112.581 6.449 6.619 1.00 1.65 N ATOM 700 CA THR A 44 113.429 7.625 6.961 1.00 1.78 C ATOM 701 C THR A 44 112.967 8.836 6.149 1.00 2.10 C ATOM 702 O THR A 44 113.766 9.608 5.656 1.00 2.70 O ATOM 703 CB THR A 44 114.890 7.315 6.626 1.00 2.27 C ATOM 704 OG1 THR A 44 115.696 8.440 6.945 1.00 2.97 O ATOM 705 CG2 THR A 44 115.017 7.000 5.135 1.00 2.19 C ATOM 0 H THR A 44 112.548 6.211 5.628 1.00 1.65 H new ATOM 0 HA THR A 44 113.339 7.843 8.025 1.00 1.78 H new ATOM 0 HB THR A 44 115.222 6.454 7.206 1.00 2.27 H new ATOM 0 HG1 THR A 44 115.331 9.238 6.509 1.00 2.97 H new ATOM 0 HG21 THR A 44 116.058 6.779 4.897 1.00 2.19 H new ATOM 0 HG22 THR A 44 114.398 6.136 4.892 1.00 2.19 H new ATOM 0 HG23 THR A 44 114.686 7.859 4.552 1.00 2.19 H new ATOM 713 N LYS A 45 111.681 9.007 6.002 1.00 2.10 N ATOM 714 CA LYS A 45 111.168 10.166 5.218 1.00 2.64 C ATOM 715 C LYS A 45 111.544 11.471 5.924 1.00 2.96 C ATOM 716 O LYS A 45 111.611 12.519 5.312 1.00 3.61 O ATOM 717 CB LYS A 45 109.645 10.070 5.103 1.00 2.98 C ATOM 718 CG LYS A 45 109.017 10.226 6.490 1.00 3.43 C ATOM 719 CD LYS A 45 107.916 9.179 6.673 1.00 4.02 C ATOM 720 CE LYS A 45 107.586 9.039 8.161 1.00 4.83 C ATOM 721 NZ LYS A 45 106.418 8.128 8.326 1.00 5.35 N ATOM 0 H LYS A 45 110.964 8.394 6.391 1.00 2.10 H new ATOM 0 HA LYS A 45 111.611 10.153 4.222 1.00 2.64 H new ATOM 0 HB2 LYS A 45 109.271 10.845 4.434 1.00 2.98 H new ATOM 0 HB3 LYS A 45 109.362 9.111 4.670 1.00 2.98 H new ATOM 0 HG2 LYS A 45 109.778 10.107 7.261 1.00 3.43 H new ATOM 0 HG3 LYS A 45 108.603 11.228 6.603 1.00 3.43 H new ATOM 0 HD2 LYS A 45 107.025 9.472 6.118 1.00 4.02 H new ATOM 0 HD3 LYS A 45 108.241 8.220 6.270 1.00 4.02 H new ATOM 0 HE2 LYS A 45 108.447 8.645 8.700 1.00 4.83 H new ATOM 0 HE3 LYS A 45 107.362 10.016 8.589 1.00 4.83 H new ATOM 0 HZ1 LYS A 45 106.193 8.032 9.337 1.00 5.35 H new ATOM 0 HZ2 LYS A 45 105.597 8.522 7.824 1.00 5.35 H new ATOM 0 HZ3 LYS A 45 106.648 7.193 7.932 1.00 5.35 H new ATOM 735 N HIS A 46 111.793 11.416 7.205 1.00 2.96 N ATOM 736 CA HIS A 46 112.166 12.650 7.949 1.00 3.65 C ATOM 737 C HIS A 46 111.271 13.807 7.497 1.00 4.01 C ATOM 738 O HIS A 46 111.706 14.684 6.777 1.00 4.09 O ATOM 739 CB HIS A 46 113.628 12.986 7.658 1.00 4.09 C ATOM 740 CG HIS A 46 114.112 14.028 8.627 1.00 4.93 C ATOM 741 ND1 HIS A 46 113.692 15.309 8.885 1.00 5.51 N flip ATOM 742 CD2 HIS A 46 115.175 13.798 9.487 1.00 5.70 C flip ATOM 743 CE1 HIS A 46 114.480 15.867 9.889 1.00 6.46 C flip ATOM 744 NE2 HIS A 46 115.357 14.914 10.215 1.00 6.61 N flip ATOM 0 H HIS A 46 111.754 10.566 7.768 1.00 2.96 H new ATOM 0 HA HIS A 46 112.034 12.491 9.019 1.00 3.65 H new ATOM 0 HB2 HIS A 46 114.240 12.088 7.739 1.00 4.09 H new ATOM 0 HB3 HIS A 46 113.731 13.351 6.636 1.00 4.09 H new ATOM 0 HD1 HIS A 46 112.920 15.781 8.413 1.00 5.51 H new ATOM 0 HD2 HIS A 46 115.752 12.888 9.559 1.00 5.70 H new ATOM 0 HE1 HIS A 46 114.399 16.857 10.313 1.00 6.46 H new ATOM 752 N PRO A 47 110.040 13.766 7.933 1.00 4.74 N ATOM 753 CA PRO A 47 109.015 14.793 7.600 1.00 5.58 C ATOM 754 C PRO A 47 109.223 16.056 8.440 1.00 5.90 C ATOM 755 O PRO A 47 109.136 17.163 7.946 1.00 6.38 O ATOM 756 CB PRO A 47 107.698 14.109 7.960 1.00 6.47 C ATOM 757 CG PRO A 47 108.037 13.053 9.016 1.00 6.38 C ATOM 758 CD PRO A 47 109.513 12.687 8.818 1.00 5.27 C ATOM 0 HA PRO A 47 109.054 15.116 6.560 1.00 5.58 H new ATOM 0 HB2 PRO A 47 106.979 14.830 8.348 1.00 6.47 H new ATOM 0 HB3 PRO A 47 107.246 13.649 7.081 1.00 6.47 H new ATOM 0 HG2 PRO A 47 107.866 13.441 10.020 1.00 6.38 H new ATOM 0 HG3 PRO A 47 107.402 12.174 8.902 1.00 6.38 H new ATOM 0 HD2 PRO A 47 110.047 12.655 9.768 1.00 5.27 H new ATOM 0 HD3 PRO A 47 109.622 11.705 8.358 1.00 5.27 H new ATOM 766 N LYS A 48 109.496 15.902 9.706 1.00 5.89 N ATOM 767 CA LYS A 48 109.708 17.095 10.572 1.00 6.34 C ATOM 768 C LYS A 48 110.397 16.669 11.871 1.00 6.03 C ATOM 769 O LYS A 48 111.599 16.775 12.011 1.00 6.35 O ATOM 770 CB LYS A 48 108.356 17.735 10.896 1.00 7.03 C ATOM 771 CG LYS A 48 108.194 19.024 10.089 1.00 7.76 C ATOM 772 CD LYS A 48 106.959 18.916 9.193 1.00 8.51 C ATOM 773 CE LYS A 48 105.897 19.909 9.666 1.00 9.33 C ATOM 774 NZ LYS A 48 104.734 19.872 8.736 1.00 10.05 N ATOM 0 H LYS A 48 109.581 15.002 10.178 1.00 5.89 H new ATOM 0 HA LYS A 48 110.336 17.816 10.050 1.00 6.34 H new ATOM 0 HB2 LYS A 48 107.548 17.042 10.660 1.00 7.03 H new ATOM 0 HB3 LYS A 48 108.290 17.951 11.962 1.00 7.03 H new ATOM 0 HG2 LYS A 48 108.095 19.876 10.761 1.00 7.76 H new ATOM 0 HG3 LYS A 48 109.082 19.199 9.482 1.00 7.76 H new ATOM 0 HD2 LYS A 48 107.229 19.122 8.157 1.00 8.51 H new ATOM 0 HD3 LYS A 48 106.562 17.901 9.223 1.00 8.51 H new ATOM 0 HE2 LYS A 48 105.576 19.660 10.677 1.00 9.33 H new ATOM 0 HE3 LYS A 48 106.315 20.915 9.703 1.00 9.33 H new ATOM 0 HZ1 LYS A 48 104.011 20.547 9.057 1.00 10.05 H new ATOM 0 HZ2 LYS A 48 105.047 20.129 7.778 1.00 10.05 H new ATOM 0 HZ3 LYS A 48 104.331 18.913 8.722 1.00 10.05 H new ATOM 788 N LYS A 49 109.644 16.188 12.823 1.00 5.67 N ATOM 789 CA LYS A 49 110.257 15.757 14.111 1.00 5.61 C ATOM 790 C LYS A 49 110.730 14.305 13.997 1.00 4.80 C ATOM 791 O LYS A 49 111.312 13.760 14.913 1.00 4.76 O ATOM 792 CB LYS A 49 109.218 15.868 15.229 1.00 6.06 C ATOM 793 CG LYS A 49 109.903 16.308 16.524 1.00 6.71 C ATOM 794 CD LYS A 49 110.073 17.828 16.522 1.00 7.31 C ATOM 795 CE LYS A 49 108.701 18.495 16.402 1.00 7.94 C ATOM 796 NZ LYS A 49 108.471 18.909 14.989 1.00 8.57 N ATOM 0 H LYS A 49 108.632 16.075 12.764 1.00 5.67 H new ATOM 0 HA LYS A 49 111.110 16.397 14.338 1.00 5.61 H new ATOM 0 HB2 LYS A 49 108.446 16.586 14.952 1.00 6.06 H new ATOM 0 HB3 LYS A 49 108.723 14.908 15.376 1.00 6.06 H new ATOM 0 HG2 LYS A 49 109.310 15.999 17.385 1.00 6.71 H new ATOM 0 HG3 LYS A 49 110.875 15.823 16.616 1.00 6.71 H new ATOM 0 HD2 LYS A 49 110.567 18.151 17.439 1.00 7.31 H new ATOM 0 HD3 LYS A 49 110.711 18.132 15.692 1.00 7.31 H new ATOM 0 HE2 LYS A 49 107.920 17.805 16.721 1.00 7.94 H new ATOM 0 HE3 LYS A 49 108.648 19.363 17.060 1.00 7.94 H new ATOM 0 HZ1 LYS A 49 108.583 19.940 14.907 1.00 8.57 H new ATOM 0 HZ2 LYS A 49 109.161 18.435 14.372 1.00 8.57 H new ATOM 0 HZ3 LYS A 49 107.508 18.642 14.701 1.00 8.57 H new ATOM 810 N GLY A 50 110.486 13.675 12.880 1.00 4.35 N ATOM 811 CA GLY A 50 110.923 12.259 12.713 1.00 3.82 C ATOM 812 C GLY A 50 110.148 11.367 13.684 1.00 3.19 C ATOM 813 O GLY A 50 109.418 11.842 14.531 1.00 3.40 O ATOM 0 H GLY A 50 110.004 14.079 12.077 1.00 4.35 H new ATOM 0 HA2 GLY A 50 110.751 11.933 11.687 1.00 3.82 H new ATOM 0 HA3 GLY A 50 111.993 12.173 12.900 1.00 3.82 H new ATOM 817 N VAL A 51 110.301 10.076 13.568 1.00 2.76 N ATOM 818 CA VAL A 51 109.573 9.153 14.485 1.00 2.45 C ATOM 819 C VAL A 51 110.259 9.144 15.853 1.00 2.45 C ATOM 820 O VAL A 51 109.756 8.584 16.806 1.00 2.99 O ATOM 821 CB VAL A 51 109.586 7.740 13.899 1.00 2.36 C ATOM 822 CG1 VAL A 51 108.688 6.830 14.738 1.00 2.83 C ATOM 823 CG2 VAL A 51 109.065 7.781 12.460 1.00 2.51 C ATOM 0 H VAL A 51 110.898 9.620 12.878 1.00 2.76 H new ATOM 0 HA VAL A 51 108.543 9.491 14.599 1.00 2.45 H new ATOM 0 HB VAL A 51 110.605 7.353 13.908 1.00 2.36 H new ATOM 0 HG11 VAL A 51 108.698 5.823 14.320 1.00 2.83 H new ATOM 0 HG12 VAL A 51 109.056 6.801 15.763 1.00 2.83 H new ATOM 0 HG13 VAL A 51 107.669 7.217 14.730 1.00 2.83 H new ATOM 0 HG21 VAL A 51 109.074 6.775 12.041 1.00 2.51 H new ATOM 0 HG22 VAL A 51 108.046 8.168 12.453 1.00 2.51 H new ATOM 0 HG23 VAL A 51 109.704 8.429 11.860 1.00 2.51 H new ATOM 833 N GLU A 52 111.406 9.760 15.958 1.00 2.36 N ATOM 834 CA GLU A 52 112.121 9.786 17.265 1.00 2.56 C ATOM 835 C GLU A 52 112.642 8.385 17.590 1.00 2.36 C ATOM 836 O GLU A 52 112.930 8.066 18.726 1.00 2.90 O ATOM 837 CB GLU A 52 111.161 10.237 18.366 1.00 2.98 C ATOM 838 CG GLU A 52 110.378 11.463 17.892 1.00 3.47 C ATOM 839 CD GLU A 52 108.880 11.154 17.926 1.00 4.09 C ATOM 840 OE1 GLU A 52 108.401 10.756 18.975 1.00 4.52 O ATOM 841 OE2 GLU A 52 108.238 11.319 16.902 1.00 4.49 O ATOM 0 H GLU A 52 111.878 10.246 15.195 1.00 2.36 H new ATOM 0 HA GLU A 52 112.958 10.482 17.205 1.00 2.56 H new ATOM 0 HB2 GLU A 52 110.474 9.429 18.617 1.00 2.98 H new ATOM 0 HB3 GLU A 52 111.717 10.476 19.272 1.00 2.98 H new ATOM 0 HG2 GLU A 52 110.599 12.318 18.531 1.00 3.47 H new ATOM 0 HG3 GLU A 52 110.682 11.734 16.881 1.00 3.47 H new ATOM 848 N LYS A 53 112.764 7.545 16.600 1.00 2.12 N ATOM 849 CA LYS A 53 113.266 6.165 16.850 1.00 2.14 C ATOM 850 C LYS A 53 114.464 5.895 15.939 1.00 2.00 C ATOM 851 O LYS A 53 115.604 5.992 16.349 1.00 2.59 O ATOM 852 CB LYS A 53 112.152 5.158 16.549 1.00 2.26 C ATOM 853 CG LYS A 53 112.743 3.749 16.445 1.00 2.22 C ATOM 854 CD LYS A 53 111.654 2.714 16.734 1.00 2.51 C ATOM 855 CE LYS A 53 111.297 2.750 18.221 1.00 2.97 C ATOM 856 NZ LYS A 53 112.017 1.655 18.930 1.00 3.60 N ATOM 0 H LYS A 53 112.538 7.755 15.628 1.00 2.12 H new ATOM 0 HA LYS A 53 113.571 6.065 17.892 1.00 2.14 H new ATOM 0 HB2 LYS A 53 111.398 5.189 17.336 1.00 2.26 H new ATOM 0 HB3 LYS A 53 111.652 5.422 15.617 1.00 2.26 H new ATOM 0 HG2 LYS A 53 113.156 3.589 15.449 1.00 2.22 H new ATOM 0 HG3 LYS A 53 113.564 3.635 17.152 1.00 2.22 H new ATOM 0 HD2 LYS A 53 110.770 2.923 16.132 1.00 2.51 H new ATOM 0 HD3 LYS A 53 112.001 1.719 16.456 1.00 2.51 H new ATOM 0 HE2 LYS A 53 111.569 3.715 18.648 1.00 2.97 H new ATOM 0 HE3 LYS A 53 110.221 2.636 18.351 1.00 2.97 H new ATOM 0 HZ1 LYS A 53 111.775 1.678 19.941 1.00 3.60 H new ATOM 0 HZ2 LYS A 53 111.736 0.738 18.528 1.00 3.60 H new ATOM 0 HZ3 LYS A 53 113.043 1.784 18.816 1.00 3.60 H new ATOM 870 N TYR A 54 114.215 5.561 14.703 1.00 1.79 N ATOM 871 CA TYR A 54 115.337 5.289 13.763 1.00 1.72 C ATOM 872 C TYR A 54 115.432 6.431 12.750 1.00 1.59 C ATOM 873 O TYR A 54 115.960 6.273 11.668 1.00 1.66 O ATOM 874 CB TYR A 54 115.081 3.972 13.027 1.00 1.82 C ATOM 875 CG TYR A 54 115.022 2.839 14.025 1.00 1.53 C ATOM 876 CD1 TYR A 54 116.036 2.692 14.978 1.00 1.54 C ATOM 877 CD2 TYR A 54 113.952 1.936 13.995 1.00 1.66 C ATOM 878 CE1 TYR A 54 115.981 1.641 15.902 1.00 1.93 C ATOM 879 CE2 TYR A 54 113.898 0.885 14.919 1.00 2.02 C ATOM 880 CZ TYR A 54 114.912 0.738 15.873 1.00 2.24 C ATOM 881 OH TYR A 54 114.860 -0.298 16.783 1.00 2.91 O ATOM 0 H TYR A 54 113.281 5.465 14.303 1.00 1.79 H new ATOM 0 HA TYR A 54 116.271 5.214 14.320 1.00 1.72 H new ATOM 0 HB2 TYR A 54 114.145 4.030 12.471 1.00 1.82 H new ATOM 0 HB3 TYR A 54 115.873 3.790 12.300 1.00 1.82 H new ATOM 0 HD1 TYR A 54 116.861 3.389 15.001 1.00 1.54 H new ATOM 0 HD2 TYR A 54 113.169 2.050 13.260 1.00 1.66 H new ATOM 0 HE1 TYR A 54 116.764 1.527 16.637 1.00 1.93 H new ATOM 0 HE2 TYR A 54 113.074 0.188 14.896 1.00 2.02 H new ATOM 0 HH TYR A 54 114.053 -0.831 16.626 1.00 2.91 H new ATOM 891 N GLY A 55 114.919 7.582 13.094 1.00 1.61 N ATOM 892 CA GLY A 55 114.975 8.736 12.152 1.00 1.67 C ATOM 893 C GLY A 55 116.432 9.055 11.813 1.00 1.65 C ATOM 894 O GLY A 55 116.973 8.539 10.856 1.00 1.93 O ATOM 0 H GLY A 55 114.464 7.772 13.987 1.00 1.61 H new ATOM 0 HA2 GLY A 55 114.423 8.502 11.242 1.00 1.67 H new ATOM 0 HA3 GLY A 55 114.497 9.607 12.600 1.00 1.67 H new ATOM 898 N PRO A 56 117.021 9.905 12.612 1.00 1.64 N ATOM 899 CA PRO A 56 118.435 10.343 12.444 1.00 1.82 C ATOM 900 C PRO A 56 119.394 9.246 12.915 1.00 1.45 C ATOM 901 O PRO A 56 119.886 9.274 14.025 1.00 1.71 O ATOM 902 CB PRO A 56 118.534 11.575 13.340 1.00 2.37 C ATOM 903 CG PRO A 56 117.446 11.417 14.406 1.00 2.37 C ATOM 904 CD PRO A 56 116.355 10.536 13.788 1.00 1.87 C ATOM 0 HA PRO A 56 118.700 10.552 11.408 1.00 1.82 H new ATOM 0 HB2 PRO A 56 119.521 11.645 13.798 1.00 2.37 H new ATOM 0 HB3 PRO A 56 118.385 12.488 12.764 1.00 2.37 H new ATOM 0 HG2 PRO A 56 117.851 10.958 15.308 1.00 2.37 H new ATOM 0 HG3 PRO A 56 117.043 12.387 14.696 1.00 2.37 H new ATOM 0 HD2 PRO A 56 116.000 9.786 14.495 1.00 1.87 H new ATOM 0 HD3 PRO A 56 115.489 11.126 13.487 1.00 1.87 H new ATOM 912 N GLU A 57 119.664 8.281 12.079 1.00 1.30 N ATOM 913 CA GLU A 57 120.590 7.186 12.482 1.00 1.29 C ATOM 914 C GLU A 57 121.111 6.469 11.234 1.00 1.17 C ATOM 915 O GLU A 57 122.302 6.377 11.012 1.00 1.19 O ATOM 916 CB GLU A 57 119.842 6.188 13.369 1.00 1.67 C ATOM 917 CG GLU A 57 120.554 6.070 14.718 1.00 1.82 C ATOM 918 CD GLU A 57 119.548 5.656 15.793 1.00 2.35 C ATOM 919 OE1 GLU A 57 118.539 6.329 15.922 1.00 2.86 O ATOM 920 OE2 GLU A 57 119.803 4.673 16.469 1.00 2.92 O ATOM 0 H GLU A 57 119.284 8.204 11.136 1.00 1.30 H new ATOM 0 HA GLU A 57 121.430 7.607 13.034 1.00 1.29 H new ATOM 0 HB2 GLU A 57 118.813 6.516 13.516 1.00 1.67 H new ATOM 0 HB3 GLU A 57 119.799 5.214 12.882 1.00 1.67 H new ATOM 0 HG2 GLU A 57 121.357 5.335 14.654 1.00 1.82 H new ATOM 0 HG3 GLU A 57 121.014 7.022 14.983 1.00 1.82 H new ATOM 927 N ALA A 58 120.229 5.958 10.420 1.00 1.09 N ATOM 928 CA ALA A 58 120.674 5.245 9.189 1.00 1.01 C ATOM 929 C ALA A 58 121.191 6.259 8.165 1.00 0.95 C ATOM 930 O ALA A 58 122.271 6.114 7.627 1.00 0.92 O ATOM 931 CB ALA A 58 119.493 4.475 8.593 1.00 1.03 C ATOM 0 H ALA A 58 119.219 6.003 10.554 1.00 1.09 H new ATOM 0 HA ALA A 58 121.474 4.549 9.443 1.00 1.01 H new ATOM 0 HB1 ALA A 58 119.816 3.953 7.693 1.00 1.03 H new ATOM 0 HB2 ALA A 58 119.126 3.751 9.321 1.00 1.03 H new ATOM 0 HB3 ALA A 58 118.694 5.172 8.341 1.00 1.03 H new ATOM 937 N SER A 59 120.429 7.281 7.889 1.00 0.97 N ATOM 938 CA SER A 59 120.878 8.299 6.897 1.00 0.96 C ATOM 939 C SER A 59 122.304 8.746 7.224 1.00 0.96 C ATOM 940 O SER A 59 123.190 8.685 6.395 1.00 0.92 O ATOM 941 CB SER A 59 119.943 9.508 6.947 1.00 1.07 C ATOM 942 OG SER A 59 118.618 9.091 6.645 1.00 1.35 O ATOM 0 H SER A 59 119.515 7.456 8.307 1.00 0.97 H new ATOM 0 HA SER A 59 120.857 7.861 5.899 1.00 0.96 H new ATOM 0 HB2 SER A 59 119.976 9.967 7.935 1.00 1.07 H new ATOM 0 HB3 SER A 59 120.270 10.265 6.234 1.00 1.07 H new ATOM 0 HG SER A 59 118.016 9.864 6.678 1.00 1.35 H new ATOM 948 N ALA A 60 122.534 9.201 8.426 1.00 1.05 N ATOM 949 CA ALA A 60 123.902 9.656 8.802 1.00 1.08 C ATOM 950 C ALA A 60 124.877 8.480 8.727 1.00 1.02 C ATOM 951 O ALA A 60 126.015 8.629 8.332 1.00 1.03 O ATOM 952 CB ALA A 60 123.880 10.211 10.227 1.00 1.20 C ATOM 0 H ALA A 60 121.833 9.277 9.163 1.00 1.05 H new ATOM 0 HA ALA A 60 124.225 10.435 8.112 1.00 1.08 H new ATOM 0 HB1 ALA A 60 124.880 10.544 10.503 1.00 1.20 H new ATOM 0 HB2 ALA A 60 123.190 11.053 10.279 1.00 1.20 H new ATOM 0 HB3 ALA A 60 123.554 9.432 10.916 1.00 1.20 H new ATOM 958 N PHE A 61 124.440 7.313 9.106 1.00 0.99 N ATOM 959 CA PHE A 61 125.342 6.128 9.060 1.00 0.96 C ATOM 960 C PHE A 61 126.029 6.061 7.695 1.00 0.89 C ATOM 961 O PHE A 61 127.239 6.005 7.598 1.00 0.93 O ATOM 962 CB PHE A 61 124.524 4.854 9.283 1.00 0.95 C ATOM 963 CG PHE A 61 125.419 3.648 9.136 1.00 0.95 C ATOM 964 CD1 PHE A 61 125.709 3.142 7.863 1.00 0.92 C ATOM 965 CD2 PHE A 61 125.960 3.034 10.273 1.00 1.05 C ATOM 966 CE1 PHE A 61 126.539 2.023 7.727 1.00 0.97 C ATOM 967 CE2 PHE A 61 126.790 1.915 10.137 1.00 1.10 C ATOM 968 CZ PHE A 61 127.079 1.409 8.863 1.00 1.05 C ATOM 0 H PHE A 61 123.496 7.127 9.446 1.00 0.99 H new ATOM 0 HA PHE A 61 126.096 6.216 9.842 1.00 0.96 H new ATOM 0 HB2 PHE A 61 124.074 4.867 10.276 1.00 0.95 H new ATOM 0 HB3 PHE A 61 123.707 4.803 8.563 1.00 0.95 H new ATOM 0 HD1 PHE A 61 125.292 3.615 6.986 1.00 0.92 H new ATOM 0 HD2 PHE A 61 125.737 3.424 11.255 1.00 1.05 H new ATOM 0 HE1 PHE A 61 126.763 1.633 6.745 1.00 0.97 H new ATOM 0 HE2 PHE A 61 127.207 1.442 11.014 1.00 1.10 H new ATOM 0 HZ PHE A 61 127.718 0.545 8.757 1.00 1.05 H new ATOM 978 N THR A 62 125.264 6.067 6.642 1.00 0.82 N ATOM 979 CA THR A 62 125.867 6.001 5.281 1.00 0.77 C ATOM 980 C THR A 62 126.506 7.349 4.938 1.00 0.81 C ATOM 981 O THR A 62 127.414 7.429 4.135 1.00 0.83 O ATOM 982 CB THR A 62 124.778 5.676 4.255 1.00 0.74 C ATOM 983 OG1 THR A 62 123.504 5.980 4.806 1.00 0.98 O ATOM 984 CG2 THR A 62 124.840 4.191 3.895 1.00 1.07 C ATOM 0 H THR A 62 124.245 6.115 6.663 1.00 0.82 H new ATOM 0 HA THR A 62 126.630 5.223 5.260 1.00 0.77 H new ATOM 0 HB THR A 62 124.936 6.272 3.356 1.00 0.74 H new ATOM 0 HG1 THR A 62 123.200 6.848 4.468 1.00 0.98 H new ATOM 0 HG21 THR A 62 124.064 3.961 3.165 1.00 1.07 H new ATOM 0 HG22 THR A 62 125.817 3.960 3.471 1.00 1.07 H new ATOM 0 HG23 THR A 62 124.683 3.592 4.792 1.00 1.07 H new ATOM 992 N LYS A 63 126.041 8.409 5.541 1.00 0.88 N ATOM 993 CA LYS A 63 126.625 9.748 5.248 1.00 0.96 C ATOM 994 C LYS A 63 128.109 9.746 5.613 1.00 0.98 C ATOM 995 O LYS A 63 128.971 9.775 4.758 1.00 0.98 O ATOM 996 CB LYS A 63 125.898 10.817 6.067 1.00 1.09 C ATOM 997 CG LYS A 63 126.422 12.201 5.680 1.00 1.11 C ATOM 998 CD LYS A 63 125.859 13.249 6.643 1.00 1.77 C ATOM 999 CE LYS A 63 126.237 14.648 6.153 1.00 1.90 C ATOM 1000 NZ LYS A 63 125.325 15.655 6.766 1.00 2.52 N ATOM 0 H LYS A 63 125.283 8.405 6.223 1.00 0.88 H new ATOM 0 HA LYS A 63 126.511 9.968 4.187 1.00 0.96 H new ATOM 0 HB2 LYS A 63 124.824 10.760 5.888 1.00 1.09 H new ATOM 0 HB3 LYS A 63 126.053 10.642 7.132 1.00 1.09 H new ATOM 0 HG2 LYS A 63 127.511 12.211 5.712 1.00 1.11 H new ATOM 0 HG3 LYS A 63 126.131 12.439 4.657 1.00 1.11 H new ATOM 0 HD2 LYS A 63 124.775 13.155 6.706 1.00 1.77 H new ATOM 0 HD3 LYS A 63 126.252 13.085 7.646 1.00 1.77 H new ATOM 0 HE2 LYS A 63 127.271 14.870 6.417 1.00 1.90 H new ATOM 0 HE3 LYS A 63 126.169 14.695 5.066 1.00 1.90 H new ATOM 0 HZ1 LYS A 63 125.583 16.606 6.432 1.00 2.52 H new ATOM 0 HZ2 LYS A 63 124.344 15.446 6.492 1.00 2.52 H new ATOM 0 HZ3 LYS A 63 125.411 15.617 7.802 1.00 2.52 H new ATOM 1014 N LYS A 64 128.412 9.709 6.879 1.00 1.05 N ATOM 1015 CA LYS A 64 129.840 9.701 7.304 1.00 1.12 C ATOM 1016 C LYS A 64 130.546 8.494 6.684 1.00 1.03 C ATOM 1017 O LYS A 64 131.719 8.538 6.371 1.00 1.08 O ATOM 1018 CB LYS A 64 129.918 9.603 8.828 1.00 1.23 C ATOM 1019 CG LYS A 64 129.854 11.004 9.435 1.00 1.48 C ATOM 1020 CD LYS A 64 128.529 11.178 10.180 1.00 1.64 C ATOM 1021 CE LYS A 64 128.608 12.409 11.085 1.00 1.84 C ATOM 1022 NZ LYS A 64 127.927 13.557 10.423 1.00 2.54 N ATOM 0 H LYS A 64 127.733 9.684 7.639 1.00 1.05 H new ATOM 0 HA LYS A 64 130.323 10.620 6.972 1.00 1.12 H new ATOM 0 HB2 LYS A 64 129.097 8.994 9.206 1.00 1.23 H new ATOM 0 HB3 LYS A 64 130.844 9.109 9.124 1.00 1.23 H new ATOM 0 HG2 LYS A 64 130.690 11.154 10.118 1.00 1.48 H new ATOM 0 HG3 LYS A 64 129.944 11.756 8.651 1.00 1.48 H new ATOM 0 HD2 LYS A 64 127.711 11.289 9.468 1.00 1.64 H new ATOM 0 HD3 LYS A 64 128.315 10.290 10.775 1.00 1.64 H new ATOM 0 HE2 LYS A 64 128.138 12.198 12.045 1.00 1.84 H new ATOM 0 HE3 LYS A 64 129.650 12.658 11.288 1.00 1.84 H new ATOM 0 HZ1 LYS A 64 127.981 14.394 11.038 1.00 2.54 H new ATOM 0 HZ2 LYS A 64 128.395 13.763 9.517 1.00 2.54 H new ATOM 0 HZ3 LYS A 64 126.930 13.317 10.251 1.00 2.54 H new ATOM 1036 N MET A 65 129.837 7.413 6.510 1.00 0.95 N ATOM 1037 CA MET A 65 130.457 6.196 5.917 1.00 0.91 C ATOM 1038 C MET A 65 131.134 6.549 4.590 1.00 0.89 C ATOM 1039 O MET A 65 132.339 6.685 4.513 1.00 0.95 O ATOM 1040 CB MET A 65 129.373 5.144 5.672 1.00 0.85 C ATOM 1041 CG MET A 65 129.995 3.910 5.018 1.00 1.06 C ATOM 1042 SD MET A 65 130.430 2.704 6.297 1.00 1.65 S ATOM 1043 CE MET A 65 131.833 1.957 5.432 1.00 2.05 C ATOM 0 H MET A 65 128.851 7.320 6.754 1.00 0.95 H new ATOM 0 HA MET A 65 131.204 5.801 6.605 1.00 0.91 H new ATOM 0 HB2 MET A 65 128.899 4.869 6.614 1.00 0.85 H new ATOM 0 HB3 MET A 65 128.593 5.554 5.031 1.00 0.85 H new ATOM 0 HG2 MET A 65 129.294 3.468 4.310 1.00 1.06 H new ATOM 0 HG3 MET A 65 130.883 4.193 4.453 1.00 1.06 H new ATOM 0 HE1 MET A 65 132.265 1.170 6.050 1.00 2.05 H new ATOM 0 HE2 MET A 65 131.493 1.531 4.488 1.00 2.05 H new ATOM 0 HE3 MET A 65 132.587 2.719 5.236 1.00 2.05 H new ATOM 1053 N VAL A 66 130.369 6.689 3.545 1.00 0.84 N ATOM 1054 CA VAL A 66 130.964 7.023 2.218 1.00 0.85 C ATOM 1055 C VAL A 66 131.696 8.366 2.292 1.00 0.93 C ATOM 1056 O VAL A 66 132.526 8.675 1.461 1.00 0.99 O ATOM 1057 CB VAL A 66 129.854 7.111 1.170 1.00 0.84 C ATOM 1058 CG1 VAL A 66 129.126 5.768 1.081 1.00 0.89 C ATOM 1059 CG2 VAL A 66 128.860 8.202 1.573 1.00 0.88 C ATOM 0 H VAL A 66 129.354 6.587 3.551 1.00 0.84 H new ATOM 0 HA VAL A 66 131.673 6.243 1.941 1.00 0.85 H new ATOM 0 HB VAL A 66 130.289 7.353 0.200 1.00 0.84 H new ATOM 0 HG11 VAL A 66 128.335 5.832 0.334 1.00 0.89 H new ATOM 0 HG12 VAL A 66 129.833 4.989 0.795 1.00 0.89 H new ATOM 0 HG13 VAL A 66 128.691 5.525 2.050 1.00 0.89 H new ATOM 0 HG21 VAL A 66 128.068 8.266 0.827 1.00 0.88 H new ATOM 0 HG22 VAL A 66 128.426 7.959 2.543 1.00 0.88 H new ATOM 0 HG23 VAL A 66 129.377 9.160 1.637 1.00 0.88 H new ATOM 1069 N GLU A 67 131.393 9.171 3.273 1.00 0.95 N ATOM 1070 CA GLU A 67 132.073 10.493 3.383 1.00 1.06 C ATOM 1071 C GLU A 67 133.537 10.292 3.778 1.00 1.11 C ATOM 1072 O GLU A 67 134.399 11.068 3.415 1.00 1.20 O ATOM 1073 CB GLU A 67 131.372 11.341 4.446 1.00 1.11 C ATOM 1074 CG GLU A 67 130.277 12.181 3.787 1.00 1.15 C ATOM 1075 CD GLU A 67 130.064 13.466 4.589 1.00 1.50 C ATOM 1076 OE1 GLU A 67 130.995 13.887 5.255 1.00 1.82 O ATOM 1077 OE2 GLU A 67 128.972 14.007 4.524 1.00 2.10 O ATOM 0 H GLU A 67 130.707 8.972 4.001 1.00 0.95 H new ATOM 0 HA GLU A 67 132.026 11.001 2.420 1.00 1.06 H new ATOM 0 HB2 GLU A 67 130.940 10.698 5.213 1.00 1.11 H new ATOM 0 HB3 GLU A 67 132.093 11.990 4.943 1.00 1.11 H new ATOM 0 HG2 GLU A 67 130.557 12.422 2.762 1.00 1.15 H new ATOM 0 HG3 GLU A 67 129.348 11.613 3.738 1.00 1.15 H new ATOM 1084 N ASN A 68 133.826 9.261 4.520 1.00 1.08 N ATOM 1085 CA ASN A 68 135.235 9.017 4.938 1.00 1.15 C ATOM 1086 C ASN A 68 135.850 7.919 4.067 1.00 1.11 C ATOM 1087 O ASN A 68 137.041 7.684 4.099 1.00 1.18 O ATOM 1088 CB ASN A 68 135.261 8.583 6.405 1.00 1.21 C ATOM 1089 CG ASN A 68 134.841 9.757 7.291 1.00 1.41 C ATOM 1090 OD1 ASN A 68 135.133 10.897 6.988 1.00 1.68 O ATOM 1091 ND2 ASN A 68 134.164 9.525 8.382 1.00 1.63 N ATOM 0 H ASN A 68 133.148 8.576 4.855 1.00 1.08 H new ATOM 0 HA ASN A 68 135.812 9.934 4.819 1.00 1.15 H new ATOM 0 HB2 ASN A 68 134.588 7.739 6.558 1.00 1.21 H new ATOM 0 HB3 ASN A 68 136.261 8.247 6.678 1.00 1.21 H new ATOM 0 HD21 ASN A 68 133.880 10.301 8.981 1.00 1.63 H new ATOM 0 HD22 ASN A 68 133.919 8.568 8.636 1.00 1.63 H new ATOM 1098 N ALA A 69 135.049 7.245 3.288 1.00 1.03 N ATOM 1099 CA ALA A 69 135.595 6.166 2.418 1.00 1.01 C ATOM 1100 C ALA A 69 136.665 6.752 1.495 1.00 1.08 C ATOM 1101 O ALA A 69 136.534 7.853 0.999 1.00 1.13 O ATOM 1102 CB ALA A 69 134.467 5.567 1.577 1.00 0.92 C ATOM 0 H ALA A 69 134.043 7.394 3.217 1.00 1.03 H new ATOM 0 HA ALA A 69 136.036 5.386 3.039 1.00 1.01 H new ATOM 0 HB1 ALA A 69 134.867 4.778 0.941 1.00 0.92 H new ATOM 0 HB2 ALA A 69 133.704 5.151 2.235 1.00 0.92 H new ATOM 0 HB3 ALA A 69 134.024 6.345 0.955 1.00 0.92 H new ATOM 1108 N LYS A 70 137.725 6.028 1.263 1.00 1.17 N ATOM 1109 CA LYS A 70 138.801 6.549 0.374 1.00 1.29 C ATOM 1110 C LYS A 70 138.347 6.458 -1.084 1.00 1.20 C ATOM 1111 O LYS A 70 138.824 7.178 -1.938 1.00 1.27 O ATOM 1112 CB LYS A 70 140.071 5.716 0.565 1.00 1.47 C ATOM 1113 CG LYS A 70 140.404 5.628 2.056 1.00 1.57 C ATOM 1114 CD LYS A 70 140.939 6.977 2.543 1.00 1.69 C ATOM 1115 CE LYS A 70 142.396 6.821 2.980 1.00 2.28 C ATOM 1116 NZ LYS A 70 142.917 8.135 3.453 1.00 2.79 N ATOM 0 H LYS A 70 137.892 5.099 1.650 1.00 1.17 H new ATOM 0 HA LYS A 70 139.008 7.589 0.627 1.00 1.29 H new ATOM 0 HB2 LYS A 70 139.929 4.717 0.154 1.00 1.47 H new ATOM 0 HB3 LYS A 70 140.901 6.169 0.022 1.00 1.47 H new ATOM 0 HG2 LYS A 70 139.514 5.352 2.622 1.00 1.57 H new ATOM 0 HG3 LYS A 70 141.145 4.848 2.228 1.00 1.57 H new ATOM 0 HD2 LYS A 70 140.864 7.718 1.747 1.00 1.69 H new ATOM 0 HD3 LYS A 70 140.336 7.340 3.375 1.00 1.69 H new ATOM 0 HE2 LYS A 70 142.471 6.080 3.776 1.00 2.28 H new ATOM 0 HE3 LYS A 70 142.999 6.457 2.148 1.00 2.28 H new ATOM 0 HZ1 LYS A 70 143.908 8.029 3.750 1.00 2.79 H new ATOM 0 HZ2 LYS A 70 142.860 8.829 2.681 1.00 2.79 H new ATOM 0 HZ3 LYS A 70 142.347 8.465 4.258 1.00 2.79 H new ATOM 1130 N LYS A 71 137.427 5.579 -1.375 1.00 1.10 N ATOM 1131 CA LYS A 71 136.944 5.446 -2.778 1.00 1.05 C ATOM 1132 C LYS A 71 135.485 4.985 -2.775 1.00 0.94 C ATOM 1133 O LYS A 71 135.016 4.382 -1.830 1.00 0.94 O ATOM 1134 CB LYS A 71 137.800 4.416 -3.522 1.00 1.15 C ATOM 1135 CG LYS A 71 139.226 4.435 -2.967 1.00 1.30 C ATOM 1136 CD LYS A 71 140.094 3.452 -3.756 1.00 1.75 C ATOM 1137 CE LYS A 71 141.567 3.834 -3.599 1.00 2.26 C ATOM 1138 NZ LYS A 71 141.892 4.953 -4.528 1.00 2.93 N ATOM 0 H LYS A 71 136.990 4.948 -0.703 1.00 1.10 H new ATOM 0 HA LYS A 71 137.021 6.411 -3.278 1.00 1.05 H new ATOM 0 HB2 LYS A 71 137.369 3.421 -3.410 1.00 1.15 H new ATOM 0 HB3 LYS A 71 137.811 4.640 -4.589 1.00 1.15 H new ATOM 0 HG2 LYS A 71 139.641 5.440 -3.037 1.00 1.30 H new ATOM 0 HG3 LYS A 71 139.220 4.165 -1.911 1.00 1.30 H new ATOM 0 HD2 LYS A 71 139.930 2.436 -3.397 1.00 1.75 H new ATOM 0 HD3 LYS A 71 139.814 3.467 -4.809 1.00 1.75 H new ATOM 0 HE2 LYS A 71 141.769 4.131 -2.570 1.00 2.26 H new ATOM 0 HE3 LYS A 71 142.202 2.974 -3.813 1.00 2.26 H new ATOM 0 HZ1 LYS A 71 142.923 5.089 -4.560 1.00 2.93 H new ATOM 0 HZ2 LYS A 71 141.543 4.726 -5.481 1.00 2.93 H new ATOM 0 HZ3 LYS A 71 141.438 5.826 -4.192 1.00 2.93 H new ATOM 1152 N ILE A 72 134.765 5.264 -3.826 1.00 0.89 N ATOM 1153 CA ILE A 72 133.337 4.843 -3.888 1.00 0.80 C ATOM 1154 C ILE A 72 133.069 4.173 -5.236 1.00 0.78 C ATOM 1155 O ILE A 72 133.289 4.751 -6.281 1.00 0.82 O ATOM 1156 CB ILE A 72 132.438 6.071 -3.737 1.00 0.81 C ATOM 1157 CG1 ILE A 72 132.602 6.647 -2.329 1.00 0.86 C ATOM 1158 CG2 ILE A 72 130.978 5.671 -3.957 1.00 0.77 C ATOM 1159 CD1 ILE A 72 133.299 8.006 -2.413 1.00 1.03 C ATOM 0 H ILE A 72 135.104 5.766 -4.646 1.00 0.89 H new ATOM 0 HA ILE A 72 133.125 4.140 -3.083 1.00 0.80 H new ATOM 0 HB ILE A 72 132.721 6.821 -4.476 1.00 0.81 H new ATOM 0 HG12 ILE A 72 131.628 6.755 -1.853 1.00 0.86 H new ATOM 0 HG13 ILE A 72 133.185 5.965 -1.711 1.00 0.86 H new ATOM 0 HG21 ILE A 72 130.340 6.548 -3.849 1.00 0.77 H new ATOM 0 HG22 ILE A 72 130.861 5.259 -4.959 1.00 0.77 H new ATOM 0 HG23 ILE A 72 130.691 4.921 -3.220 1.00 0.77 H new ATOM 0 HD11 ILE A 72 133.416 8.417 -1.410 1.00 1.03 H new ATOM 0 HD12 ILE A 72 134.280 7.884 -2.872 1.00 1.03 H new ATOM 0 HD13 ILE A 72 132.698 8.686 -3.016 1.00 1.03 H new ATOM 1171 N GLU A 73 132.600 2.955 -5.222 1.00 0.74 N ATOM 1172 CA GLU A 73 132.327 2.252 -6.507 1.00 0.74 C ATOM 1173 C GLU A 73 130.875 1.770 -6.536 1.00 0.69 C ATOM 1174 O GLU A 73 130.171 1.820 -5.548 1.00 0.78 O ATOM 1175 CB GLU A 73 133.264 1.049 -6.637 1.00 0.82 C ATOM 1176 CG GLU A 73 134.606 1.506 -7.216 1.00 1.13 C ATOM 1177 CD GLU A 73 135.747 0.985 -6.339 1.00 1.40 C ATOM 1178 OE1 GLU A 73 135.474 0.591 -5.217 1.00 1.92 O ATOM 1179 OE2 GLU A 73 136.874 0.990 -6.804 1.00 2.00 O ATOM 0 H GLU A 73 132.395 2.418 -4.379 1.00 0.74 H new ATOM 0 HA GLU A 73 132.495 2.940 -7.336 1.00 0.74 H new ATOM 0 HB2 GLU A 73 133.416 0.586 -5.662 1.00 0.82 H new ATOM 0 HB3 GLU A 73 132.816 0.294 -7.283 1.00 0.82 H new ATOM 0 HG2 GLU A 73 134.719 1.136 -8.235 1.00 1.13 H new ATOM 0 HG3 GLU A 73 134.640 2.594 -7.266 1.00 1.13 H new ATOM 1186 N VAL A 74 130.425 1.303 -7.668 1.00 0.71 N ATOM 1187 CA VAL A 74 129.022 0.813 -7.775 1.00 0.69 C ATOM 1188 C VAL A 74 128.996 -0.451 -8.637 1.00 0.76 C ATOM 1189 O VAL A 74 129.778 -0.603 -9.555 1.00 0.88 O ATOM 1190 CB VAL A 74 128.153 1.893 -8.424 1.00 0.68 C ATOM 1191 CG1 VAL A 74 127.927 3.033 -7.429 1.00 0.63 C ATOM 1192 CG2 VAL A 74 128.862 2.438 -9.666 1.00 0.79 C ATOM 0 H VAL A 74 130.971 1.240 -8.527 1.00 0.71 H new ATOM 0 HA VAL A 74 128.635 0.587 -6.782 1.00 0.69 H new ATOM 0 HB VAL A 74 127.193 1.463 -8.710 1.00 0.68 H new ATOM 0 HG11 VAL A 74 127.308 3.802 -7.891 1.00 0.63 H new ATOM 0 HG12 VAL A 74 127.424 2.647 -6.542 1.00 0.63 H new ATOM 0 HG13 VAL A 74 128.887 3.463 -7.144 1.00 0.63 H new ATOM 0 HG21 VAL A 74 128.244 3.207 -10.129 1.00 0.79 H new ATOM 0 HG22 VAL A 74 129.821 2.868 -9.378 1.00 0.79 H new ATOM 0 HG23 VAL A 74 129.026 1.628 -10.376 1.00 0.79 H new ATOM 1202 N GLU A 75 128.109 -1.364 -8.349 1.00 0.77 N ATOM 1203 CA GLU A 75 128.044 -2.617 -9.154 1.00 0.85 C ATOM 1204 C GLU A 75 126.614 -2.838 -9.651 1.00 0.84 C ATOM 1205 O GLU A 75 125.770 -3.341 -8.938 1.00 0.86 O ATOM 1206 CB GLU A 75 128.469 -3.802 -8.285 1.00 0.92 C ATOM 1207 CG GLU A 75 128.214 -5.107 -9.041 1.00 1.05 C ATOM 1208 CD GLU A 75 129.376 -6.072 -8.799 1.00 1.11 C ATOM 1209 OE1 GLU A 75 129.690 -6.311 -7.645 1.00 1.38 O ATOM 1210 OE2 GLU A 75 129.932 -6.554 -9.772 1.00 1.72 O ATOM 0 H GLU A 75 127.428 -1.297 -7.593 1.00 0.77 H new ATOM 0 HA GLU A 75 128.714 -2.531 -10.010 1.00 0.85 H new ATOM 0 HB2 GLU A 75 129.525 -3.718 -8.029 1.00 0.92 H new ATOM 0 HB3 GLU A 75 127.912 -3.798 -7.348 1.00 0.92 H new ATOM 0 HG2 GLU A 75 127.279 -5.556 -8.707 1.00 1.05 H new ATOM 0 HG3 GLU A 75 128.109 -4.907 -10.107 1.00 1.05 H new ATOM 1217 N PHE A 76 126.336 -2.472 -10.872 1.00 0.86 N ATOM 1218 CA PHE A 76 124.961 -2.667 -11.412 1.00 0.87 C ATOM 1219 C PHE A 76 124.698 -4.164 -11.600 1.00 0.95 C ATOM 1220 O PHE A 76 125.546 -4.898 -12.065 1.00 1.04 O ATOM 1221 CB PHE A 76 124.834 -1.950 -12.757 1.00 0.92 C ATOM 1222 CG PHE A 76 125.162 -0.486 -12.580 1.00 0.86 C ATOM 1223 CD1 PHE A 76 124.167 0.409 -12.169 1.00 0.81 C ATOM 1224 CD2 PHE A 76 126.460 -0.023 -12.828 1.00 0.90 C ATOM 1225 CE1 PHE A 76 124.470 1.767 -12.004 1.00 0.78 C ATOM 1226 CE2 PHE A 76 126.763 1.334 -12.664 1.00 0.88 C ATOM 1227 CZ PHE A 76 125.768 2.229 -12.252 1.00 0.81 C ATOM 0 H PHE A 76 127.001 -2.047 -11.518 1.00 0.86 H new ATOM 0 HA PHE A 76 124.232 -2.255 -10.714 1.00 0.87 H new ATOM 0 HB2 PHE A 76 125.509 -2.399 -13.486 1.00 0.92 H new ATOM 0 HB3 PHE A 76 123.822 -2.062 -13.147 1.00 0.92 H new ATOM 0 HD1 PHE A 76 123.165 0.053 -11.979 1.00 0.81 H new ATOM 0 HD2 PHE A 76 127.228 -0.713 -13.146 1.00 0.90 H new ATOM 0 HE1 PHE A 76 123.703 2.457 -11.686 1.00 0.78 H new ATOM 0 HE2 PHE A 76 127.764 1.691 -12.855 1.00 0.88 H new ATOM 0 HZ PHE A 76 126.002 3.276 -12.126 1.00 0.81 H new ATOM 1237 N ASP A 77 123.530 -4.622 -11.238 1.00 0.94 N ATOM 1238 CA ASP A 77 123.216 -6.071 -11.393 1.00 1.02 C ATOM 1239 C ASP A 77 122.970 -6.391 -12.869 1.00 1.10 C ATOM 1240 O ASP A 77 123.155 -5.558 -13.734 1.00 1.11 O ATOM 1241 CB ASP A 77 121.961 -6.410 -10.585 1.00 1.02 C ATOM 1242 CG ASP A 77 122.242 -7.609 -9.677 1.00 1.24 C ATOM 1243 OD1 ASP A 77 123.290 -8.213 -9.833 1.00 1.77 O ATOM 1244 OD2 ASP A 77 121.403 -7.904 -8.842 1.00 1.75 O ATOM 0 H ASP A 77 122.780 -4.055 -10.842 1.00 0.94 H new ATOM 0 HA ASP A 77 124.057 -6.662 -11.030 1.00 1.02 H new ATOM 0 HB2 ASP A 77 121.659 -5.551 -9.986 1.00 1.02 H new ATOM 0 HB3 ASP A 77 121.134 -6.637 -11.258 1.00 1.02 H new ATOM 1249 N LYS A 78 122.553 -7.593 -13.162 1.00 1.17 N ATOM 1250 CA LYS A 78 122.293 -7.970 -14.581 1.00 1.26 C ATOM 1251 C LYS A 78 120.908 -7.472 -14.995 1.00 1.29 C ATOM 1252 O LYS A 78 120.602 -7.362 -16.166 1.00 1.38 O ATOM 1253 CB LYS A 78 122.347 -9.492 -14.719 1.00 1.36 C ATOM 1254 CG LYS A 78 121.363 -10.127 -13.735 1.00 1.48 C ATOM 1255 CD LYS A 78 122.068 -11.232 -12.947 1.00 1.41 C ATOM 1256 CE LYS A 78 121.802 -12.584 -13.612 1.00 1.82 C ATOM 1257 NZ LYS A 78 121.871 -13.664 -12.588 1.00 2.17 N ATOM 0 H LYS A 78 122.381 -8.331 -12.479 1.00 1.17 H new ATOM 0 HA LYS A 78 123.049 -7.517 -15.222 1.00 1.26 H new ATOM 0 HB2 LYS A 78 122.098 -9.785 -15.739 1.00 1.36 H new ATOM 0 HB3 LYS A 78 123.357 -9.850 -14.522 1.00 1.36 H new ATOM 0 HG2 LYS A 78 120.976 -9.370 -13.053 1.00 1.48 H new ATOM 0 HG3 LYS A 78 120.509 -10.538 -14.273 1.00 1.48 H new ATOM 0 HD2 LYS A 78 123.140 -11.038 -12.909 1.00 1.41 H new ATOM 0 HD3 LYS A 78 121.709 -11.244 -11.918 1.00 1.41 H new ATOM 0 HE2 LYS A 78 120.821 -12.581 -14.087 1.00 1.82 H new ATOM 0 HE3 LYS A 78 122.536 -12.766 -14.397 1.00 1.82 H new ATOM 0 HZ1 LYS A 78 121.690 -14.583 -13.040 1.00 2.17 H new ATOM 0 HZ2 LYS A 78 122.816 -13.671 -12.154 1.00 2.17 H new ATOM 0 HZ3 LYS A 78 121.155 -13.492 -11.854 1.00 2.17 H new ATOM 1271 N GLY A 79 120.067 -7.171 -14.045 1.00 1.26 N ATOM 1272 CA GLY A 79 118.702 -6.681 -14.386 1.00 1.30 C ATOM 1273 C GLY A 79 118.799 -5.269 -14.965 1.00 1.25 C ATOM 1274 O GLY A 79 119.809 -4.883 -15.519 1.00 1.24 O ATOM 0 H GLY A 79 120.266 -7.243 -13.047 1.00 1.26 H new ATOM 0 HA2 GLY A 79 118.233 -7.350 -15.107 1.00 1.30 H new ATOM 0 HA3 GLY A 79 118.072 -6.679 -13.497 1.00 1.30 H new ATOM 1278 N GLN A 80 117.757 -4.494 -14.841 1.00 1.27 N ATOM 1279 CA GLN A 80 117.791 -3.107 -15.384 1.00 1.23 C ATOM 1280 C GLN A 80 118.841 -2.291 -14.626 1.00 1.10 C ATOM 1281 O GLN A 80 119.297 -2.678 -13.569 1.00 1.07 O ATOM 1282 CB GLN A 80 116.415 -2.460 -15.212 1.00 1.29 C ATOM 1283 CG GLN A 80 115.352 -3.334 -15.880 1.00 1.48 C ATOM 1284 CD GLN A 80 113.966 -2.939 -15.367 1.00 2.13 C ATOM 1285 OE1 GLN A 80 113.785 -1.749 -14.865 1.00 2.74 O flip ATOM 1286 NE2 GLN A 80 113.039 -3.722 -15.424 1.00 2.63 N flip ATOM 0 H GLN A 80 116.884 -4.761 -14.387 1.00 1.27 H new ATOM 0 HA GLN A 80 118.048 -3.134 -16.443 1.00 1.23 H new ATOM 0 HB2 GLN A 80 116.188 -2.339 -14.153 1.00 1.29 H new ATOM 0 HB3 GLN A 80 116.412 -1.464 -15.654 1.00 1.29 H new ATOM 0 HG2 GLN A 80 115.397 -3.216 -16.963 1.00 1.48 H new ATOM 0 HG3 GLN A 80 115.544 -4.385 -15.666 1.00 1.48 H new ATOM 0 HE21 GLN A 80 113.181 -4.653 -15.817 1.00 2.63 H new ATOM 0 HE22 GLN A 80 112.119 -3.449 -15.079 1.00 2.63 H new ATOM 1295 N ARG A 81 119.230 -1.164 -15.157 1.00 1.09 N ATOM 1296 CA ARG A 81 120.250 -0.328 -14.463 1.00 0.98 C ATOM 1297 C ARG A 81 119.567 0.873 -13.806 1.00 0.92 C ATOM 1298 O ARG A 81 120.158 1.579 -13.015 1.00 0.86 O ATOM 1299 CB ARG A 81 121.284 0.166 -15.477 1.00 1.05 C ATOM 1300 CG ARG A 81 122.649 0.282 -14.796 1.00 1.22 C ATOM 1301 CD ARG A 81 123.644 0.938 -15.754 1.00 1.62 C ATOM 1302 NE ARG A 81 123.857 0.052 -16.932 1.00 1.93 N ATOM 1303 CZ ARG A 81 124.690 0.405 -17.872 1.00 2.32 C ATOM 1304 NH1 ARG A 81 125.915 0.733 -17.568 1.00 2.79 N ATOM 1305 NH2 ARG A 81 124.297 0.430 -19.116 1.00 2.90 N ATOM 0 H ARG A 81 118.886 -0.787 -16.040 1.00 1.09 H new ATOM 0 HA ARG A 81 120.747 -0.926 -13.699 1.00 0.98 H new ATOM 0 HB2 ARG A 81 121.343 -0.524 -16.319 1.00 1.05 H new ATOM 0 HB3 ARG A 81 120.982 1.133 -15.879 1.00 1.05 H new ATOM 0 HG2 ARG A 81 122.563 0.873 -13.884 1.00 1.22 H new ATOM 0 HG3 ARG A 81 123.006 -0.705 -14.504 1.00 1.22 H new ATOM 0 HD2 ARG A 81 123.267 1.908 -16.078 1.00 1.62 H new ATOM 0 HD3 ARG A 81 124.591 1.118 -15.245 1.00 1.62 H new ATOM 0 HE ARG A 81 123.351 -0.831 -17.004 1.00 1.93 H new ATOM 0 HH11 ARG A 81 126.222 0.714 -16.595 1.00 2.79 H new ATOM 0 HH12 ARG A 81 126.566 1.009 -18.303 1.00 2.79 H new ATOM 0 HH21 ARG A 81 123.339 0.174 -19.353 1.00 2.90 H new ATOM 0 HH22 ARG A 81 124.948 0.706 -19.851 1.00 2.90 H new ATOM 1319 N THR A 82 118.324 1.108 -14.126 1.00 0.97 N ATOM 1320 CA THR A 82 117.602 2.261 -13.518 1.00 0.95 C ATOM 1321 C THR A 82 116.156 1.853 -13.227 1.00 1.03 C ATOM 1322 O THR A 82 115.567 1.070 -13.945 1.00 1.16 O ATOM 1323 CB THR A 82 117.617 3.444 -14.489 1.00 0.99 C ATOM 1324 OG1 THR A 82 116.652 3.229 -15.510 1.00 1.22 O ATOM 1325 CG2 THR A 82 119.006 3.576 -15.114 1.00 1.02 C ATOM 0 H THR A 82 117.777 0.551 -14.783 1.00 0.97 H new ATOM 0 HA THR A 82 118.093 2.552 -12.589 1.00 0.95 H new ATOM 0 HB THR A 82 117.377 4.360 -13.950 1.00 0.99 H new ATOM 0 HG1 THR A 82 116.659 3.987 -16.132 1.00 1.22 H new ATOM 0 HG21 THR A 82 119.015 4.419 -15.805 1.00 1.02 H new ATOM 0 HG22 THR A 82 119.744 3.742 -14.329 1.00 1.02 H new ATOM 0 HG23 THR A 82 119.250 2.661 -15.654 1.00 1.02 H new ATOM 1333 N ASP A 83 115.579 2.375 -12.179 1.00 1.02 N ATOM 1334 CA ASP A 83 114.173 2.011 -11.843 1.00 1.11 C ATOM 1335 C ASP A 83 113.208 2.959 -12.560 1.00 1.15 C ATOM 1336 O ASP A 83 113.593 3.710 -13.434 1.00 1.14 O ATOM 1337 CB ASP A 83 113.962 2.122 -10.331 1.00 1.12 C ATOM 1338 CG ASP A 83 113.946 0.723 -9.714 1.00 1.59 C ATOM 1339 OD1 ASP A 83 113.323 -0.151 -10.294 1.00 2.08 O ATOM 1340 OD2 ASP A 83 114.557 0.549 -8.673 1.00 2.29 O ATOM 0 H ASP A 83 116.020 3.038 -11.541 1.00 1.02 H new ATOM 0 HA ASP A 83 113.982 0.987 -12.165 1.00 1.11 H new ATOM 0 HB2 ASP A 83 114.758 2.719 -9.885 1.00 1.12 H new ATOM 0 HB3 ASP A 83 113.023 2.634 -10.121 1.00 1.12 H new ATOM 1345 N LYS A 84 111.956 2.928 -12.194 1.00 1.24 N ATOM 1346 CA LYS A 84 110.962 3.824 -12.850 1.00 1.31 C ATOM 1347 C LYS A 84 111.146 5.253 -12.338 1.00 1.27 C ATOM 1348 O LYS A 84 110.575 6.188 -12.862 1.00 1.37 O ATOM 1349 CB LYS A 84 109.547 3.344 -12.521 1.00 1.42 C ATOM 1350 CG LYS A 84 109.345 3.342 -11.003 1.00 1.51 C ATOM 1351 CD LYS A 84 107.968 2.765 -10.671 1.00 1.68 C ATOM 1352 CE LYS A 84 108.102 1.744 -9.540 1.00 1.90 C ATOM 1353 NZ LYS A 84 107.673 2.367 -8.255 1.00 2.13 N ATOM 0 H LYS A 84 111.578 2.320 -11.468 1.00 1.24 H new ATOM 0 HA LYS A 84 111.112 3.803 -13.929 1.00 1.31 H new ATOM 0 HB2 LYS A 84 108.812 3.995 -12.995 1.00 1.42 H new ATOM 0 HB3 LYS A 84 109.390 2.342 -12.920 1.00 1.42 H new ATOM 0 HG2 LYS A 84 110.124 2.750 -10.523 1.00 1.51 H new ATOM 0 HG3 LYS A 84 109.429 4.356 -10.613 1.00 1.51 H new ATOM 0 HD2 LYS A 84 107.289 3.564 -10.375 1.00 1.68 H new ATOM 0 HD3 LYS A 84 107.538 2.292 -11.554 1.00 1.68 H new ATOM 0 HE2 LYS A 84 107.491 0.867 -9.753 1.00 1.90 H new ATOM 0 HE3 LYS A 84 109.134 1.403 -9.464 1.00 1.90 H new ATOM 0 HZ1 LYS A 84 107.995 1.779 -7.460 1.00 2.13 H new ATOM 0 HZ2 LYS A 84 108.088 3.317 -8.174 1.00 2.13 H new ATOM 0 HZ3 LYS A 84 106.636 2.440 -8.234 1.00 2.13 H new ATOM 1367 N TYR A 85 111.939 5.431 -11.318 1.00 1.18 N ATOM 1368 CA TYR A 85 112.158 6.800 -10.775 1.00 1.18 C ATOM 1369 C TYR A 85 113.442 7.386 -11.368 1.00 1.12 C ATOM 1370 O TYR A 85 113.866 8.465 -11.006 1.00 1.15 O ATOM 1371 CB TYR A 85 112.284 6.732 -9.252 1.00 1.18 C ATOM 1372 CG TYR A 85 110.961 6.313 -8.656 1.00 1.22 C ATOM 1373 CD1 TYR A 85 109.883 7.206 -8.647 1.00 1.37 C ATOM 1374 CD2 TYR A 85 110.812 5.030 -8.114 1.00 1.25 C ATOM 1375 CE1 TYR A 85 108.657 6.817 -8.095 1.00 1.44 C ATOM 1376 CE2 TYR A 85 109.586 4.642 -7.562 1.00 1.30 C ATOM 1377 CZ TYR A 85 108.508 5.535 -7.553 1.00 1.34 C ATOM 1378 OH TYR A 85 107.299 5.152 -7.008 1.00 1.42 O ATOM 0 H TYR A 85 112.445 4.687 -10.837 1.00 1.18 H new ATOM 0 HA TYR A 85 111.313 7.435 -11.041 1.00 1.18 H new ATOM 0 HB2 TYR A 85 113.062 6.022 -8.972 1.00 1.18 H new ATOM 0 HB3 TYR A 85 112.582 7.703 -8.857 1.00 1.18 H new ATOM 0 HD1 TYR A 85 109.997 8.195 -9.066 1.00 1.37 H new ATOM 0 HD2 TYR A 85 111.643 4.340 -8.122 1.00 1.25 H new ATOM 0 HE1 TYR A 85 107.826 7.506 -8.087 1.00 1.44 H new ATOM 0 HE2 TYR A 85 109.471 3.653 -7.143 1.00 1.30 H new ATOM 0 HH TYR A 85 107.446 4.785 -6.111 1.00 1.42 H new ATOM 1388 N GLY A 86 114.066 6.683 -12.275 1.00 1.06 N ATOM 1389 CA GLY A 86 115.322 7.204 -12.884 1.00 1.04 C ATOM 1390 C GLY A 86 116.474 7.041 -11.893 1.00 0.93 C ATOM 1391 O GLY A 86 117.525 7.631 -12.043 1.00 0.95 O ATOM 0 H GLY A 86 113.761 5.773 -12.619 1.00 1.06 H new ATOM 0 HA2 GLY A 86 115.542 6.666 -13.806 1.00 1.04 H new ATOM 0 HA3 GLY A 86 115.202 8.254 -13.149 1.00 1.04 H new ATOM 1395 N ARG A 87 116.284 6.242 -10.878 1.00 0.89 N ATOM 1396 CA ARG A 87 117.367 6.040 -9.876 1.00 0.80 C ATOM 1397 C ARG A 87 118.331 4.964 -10.376 1.00 0.78 C ATOM 1398 O ARG A 87 117.938 4.021 -11.034 1.00 0.86 O ATOM 1399 CB ARG A 87 116.755 5.590 -8.547 1.00 0.77 C ATOM 1400 CG ARG A 87 115.786 6.659 -8.040 1.00 0.96 C ATOM 1401 CD ARG A 87 115.636 6.531 -6.524 1.00 1.03 C ATOM 1402 NE ARG A 87 114.922 5.263 -6.201 1.00 1.22 N ATOM 1403 CZ ARG A 87 113.863 5.288 -5.440 1.00 1.29 C ATOM 1404 NH1 ARG A 87 113.869 5.985 -4.337 1.00 2.10 N ATOM 1405 NH2 ARG A 87 112.798 4.615 -5.782 1.00 1.29 N ATOM 0 H ARG A 87 115.425 5.721 -10.700 1.00 0.89 H new ATOM 0 HA ARG A 87 117.906 6.976 -9.733 1.00 0.80 H new ATOM 0 HB2 ARG A 87 116.231 4.643 -8.678 1.00 0.77 H new ATOM 0 HB3 ARG A 87 117.542 5.420 -7.812 1.00 0.77 H new ATOM 0 HG2 ARG A 87 116.155 7.652 -8.297 1.00 0.96 H new ATOM 0 HG3 ARG A 87 114.816 6.545 -8.523 1.00 0.96 H new ATOM 0 HD2 ARG A 87 116.617 6.540 -6.049 1.00 1.03 H new ATOM 0 HD3 ARG A 87 115.083 7.383 -6.129 1.00 1.03 H new ATOM 0 HE ARG A 87 115.261 4.377 -6.575 1.00 1.22 H new ATOM 0 HH11 ARG A 87 114.702 6.510 -4.070 1.00 2.10 H new ATOM 0 HH12 ARG A 87 113.041 6.005 -3.742 1.00 2.10 H new ATOM 0 HH21 ARG A 87 112.794 4.070 -6.644 1.00 1.29 H new ATOM 0 HH22 ARG A 87 111.970 4.634 -5.187 1.00 1.29 H new ATOM 1419 N GLY A 88 119.590 5.092 -10.062 1.00 0.73 N ATOM 1420 CA GLY A 88 120.576 4.071 -10.512 1.00 0.74 C ATOM 1421 C GLY A 88 120.599 2.924 -9.503 1.00 0.70 C ATOM 1422 O GLY A 88 120.707 3.136 -8.311 1.00 0.68 O ATOM 0 H GLY A 88 119.978 5.859 -9.513 1.00 0.73 H new ATOM 0 HA2 GLY A 88 120.307 3.698 -11.500 1.00 0.74 H new ATOM 0 HA3 GLY A 88 121.567 4.517 -10.598 1.00 0.74 H new ATOM 1426 N LEU A 89 120.490 1.711 -9.966 1.00 0.75 N ATOM 1427 CA LEU A 89 120.497 0.556 -9.026 1.00 0.74 C ATOM 1428 C LEU A 89 121.835 -0.180 -9.119 1.00 0.74 C ATOM 1429 O LEU A 89 122.228 -0.647 -10.170 1.00 0.81 O ATOM 1430 CB LEU A 89 119.358 -0.398 -9.391 1.00 0.85 C ATOM 1431 CG LEU A 89 118.076 0.405 -9.617 1.00 0.89 C ATOM 1432 CD1 LEU A 89 117.019 -0.488 -10.268 1.00 1.00 C ATOM 1433 CD2 LEU A 89 117.553 0.917 -8.272 1.00 0.99 C ATOM 0 H LEU A 89 120.397 1.469 -10.953 1.00 0.75 H new ATOM 0 HA LEU A 89 120.360 0.916 -8.007 1.00 0.74 H new ATOM 0 HB2 LEU A 89 119.612 -0.959 -10.290 1.00 0.85 H new ATOM 0 HB3 LEU A 89 119.209 -1.126 -8.593 1.00 0.85 H new ATOM 0 HG LEU A 89 118.288 1.250 -10.272 1.00 0.89 H new ATOM 0 HD11 LEU A 89 116.106 0.086 -10.428 1.00 1.00 H new ATOM 0 HD12 LEU A 89 117.391 -0.853 -11.225 1.00 1.00 H new ATOM 0 HD13 LEU A 89 116.805 -1.334 -9.615 1.00 1.00 H new ATOM 0 HD21 LEU A 89 116.639 1.490 -8.431 1.00 0.99 H new ATOM 0 HD22 LEU A 89 117.342 0.071 -7.618 1.00 0.99 H new ATOM 0 HD23 LEU A 89 118.305 1.555 -7.808 1.00 0.99 H new ATOM 1445 N ALA A 90 122.536 -0.287 -8.023 1.00 0.68 N ATOM 1446 CA ALA A 90 123.848 -0.993 -8.037 1.00 0.70 C ATOM 1447 C ALA A 90 124.335 -1.183 -6.600 1.00 0.66 C ATOM 1448 O ALA A 90 123.706 -0.740 -5.659 1.00 0.67 O ATOM 1449 CB ALA A 90 124.870 -0.161 -8.815 1.00 0.71 C ATOM 0 H ALA A 90 122.255 0.085 -7.116 1.00 0.68 H new ATOM 0 HA ALA A 90 123.733 -1.965 -8.517 1.00 0.70 H new ATOM 0 HB1 ALA A 90 125.829 -0.679 -8.824 1.00 0.71 H new ATOM 0 HB2 ALA A 90 124.523 -0.022 -9.839 1.00 0.71 H new ATOM 0 HB3 ALA A 90 124.987 0.811 -8.337 1.00 0.71 H new ATOM 1455 N TYR A 91 125.449 -1.838 -6.420 1.00 0.68 N ATOM 1456 CA TYR A 91 125.970 -2.052 -5.041 1.00 0.66 C ATOM 1457 C TYR A 91 127.126 -1.085 -4.777 1.00 0.62 C ATOM 1458 O TYR A 91 128.136 -1.109 -5.453 1.00 0.72 O ATOM 1459 CB TYR A 91 126.462 -3.493 -4.897 1.00 0.76 C ATOM 1460 CG TYR A 91 125.361 -4.443 -5.303 1.00 0.81 C ATOM 1461 CD1 TYR A 91 124.364 -4.793 -4.383 1.00 0.85 C ATOM 1462 CD2 TYR A 91 125.335 -4.972 -6.598 1.00 0.87 C ATOM 1463 CE1 TYR A 91 123.342 -5.673 -4.761 1.00 0.93 C ATOM 1464 CE2 TYR A 91 124.313 -5.852 -6.975 1.00 0.94 C ATOM 1465 CZ TYR A 91 123.316 -6.202 -6.057 1.00 0.96 C ATOM 1466 OH TYR A 91 122.309 -7.069 -6.429 1.00 1.05 O ATOM 0 H TYR A 91 126.020 -2.234 -7.167 1.00 0.68 H new ATOM 0 HA TYR A 91 125.174 -1.870 -4.319 1.00 0.66 H new ATOM 0 HB2 TYR A 91 127.342 -3.652 -5.520 1.00 0.76 H new ATOM 0 HB3 TYR A 91 126.761 -3.685 -3.867 1.00 0.76 H new ATOM 0 HD1 TYR A 91 124.383 -4.385 -3.383 1.00 0.85 H new ATOM 0 HD2 TYR A 91 126.103 -4.702 -7.307 1.00 0.87 H new ATOM 0 HE1 TYR A 91 122.573 -5.944 -4.052 1.00 0.93 H new ATOM 0 HE2 TYR A 91 124.294 -6.261 -7.974 1.00 0.94 H new ATOM 0 HH TYR A 91 122.036 -6.877 -7.350 1.00 1.05 H new ATOM 1476 N ILE A 92 126.984 -0.233 -3.799 1.00 0.52 N ATOM 1477 CA ILE A 92 128.071 0.738 -3.489 1.00 0.51 C ATOM 1478 C ILE A 92 129.144 0.054 -2.641 1.00 0.56 C ATOM 1479 O ILE A 92 128.851 -0.606 -1.664 1.00 0.58 O ATOM 1480 CB ILE A 92 127.489 1.922 -2.714 1.00 0.48 C ATOM 1481 CG1 ILE A 92 126.268 2.467 -3.458 1.00 0.50 C ATOM 1482 CG2 ILE A 92 128.545 3.023 -2.593 1.00 0.54 C ATOM 1483 CD1 ILE A 92 125.754 3.719 -2.745 1.00 0.53 C ATOM 0 H ILE A 92 126.161 -0.167 -3.200 1.00 0.52 H new ATOM 0 HA ILE A 92 128.516 1.092 -4.419 1.00 0.51 H new ATOM 0 HB ILE A 92 127.192 1.593 -1.718 1.00 0.48 H new ATOM 0 HG12 ILE A 92 126.533 2.705 -4.488 1.00 0.50 H new ATOM 0 HG13 ILE A 92 125.485 1.710 -3.497 1.00 0.50 H new ATOM 0 HG21 ILE A 92 128.130 3.866 -2.041 1.00 0.54 H new ATOM 0 HG22 ILE A 92 129.415 2.636 -2.063 1.00 0.54 H new ATOM 0 HG23 ILE A 92 128.843 3.352 -3.588 1.00 0.54 H new ATOM 0 HD11 ILE A 92 124.884 4.108 -3.274 1.00 0.53 H new ATOM 0 HD12 ILE A 92 125.473 3.466 -1.723 1.00 0.53 H new ATOM 0 HD13 ILE A 92 126.538 4.476 -2.729 1.00 0.53 H new ATOM 1495 N TYR A 93 130.387 0.210 -3.004 1.00 0.61 N ATOM 1496 CA TYR A 93 131.480 -0.426 -2.218 1.00 0.68 C ATOM 1497 C TYR A 93 132.401 0.662 -1.662 1.00 0.72 C ATOM 1498 O TYR A 93 132.971 1.441 -2.400 1.00 0.76 O ATOM 1499 CB TYR A 93 132.285 -1.362 -3.123 1.00 0.76 C ATOM 1500 CG TYR A 93 131.410 -2.508 -3.572 1.00 0.78 C ATOM 1501 CD1 TYR A 93 130.602 -2.369 -4.707 1.00 0.76 C ATOM 1502 CD2 TYR A 93 131.407 -3.710 -2.853 1.00 0.89 C ATOM 1503 CE1 TYR A 93 129.792 -3.432 -5.124 1.00 0.84 C ATOM 1504 CE2 TYR A 93 130.597 -4.773 -3.270 1.00 0.97 C ATOM 1505 CZ TYR A 93 129.789 -4.634 -4.405 1.00 0.94 C ATOM 1506 OH TYR A 93 128.991 -5.682 -4.815 1.00 1.06 O ATOM 0 H TYR A 93 130.693 0.751 -3.812 1.00 0.61 H new ATOM 0 HA TYR A 93 131.052 -0.999 -1.396 1.00 0.68 H new ATOM 0 HB2 TYR A 93 132.658 -0.815 -3.989 1.00 0.76 H new ATOM 0 HB3 TYR A 93 133.155 -1.743 -2.588 1.00 0.76 H new ATOM 0 HD1 TYR A 93 130.604 -1.442 -5.261 1.00 0.76 H new ATOM 0 HD2 TYR A 93 132.030 -3.817 -1.977 1.00 0.89 H new ATOM 0 HE1 TYR A 93 129.169 -3.325 -6.000 1.00 0.84 H new ATOM 0 HE2 TYR A 93 130.595 -5.700 -2.716 1.00 0.97 H new ATOM 0 HH TYR A 93 128.432 -5.980 -4.067 1.00 1.06 H new ATOM 1516 N ALA A 94 132.550 0.723 -0.367 1.00 0.79 N ATOM 1517 CA ALA A 94 133.434 1.764 0.230 1.00 0.86 C ATOM 1518 C ALA A 94 134.679 1.100 0.821 1.00 0.93 C ATOM 1519 O ALA A 94 134.589 0.215 1.648 1.00 0.95 O ATOM 1520 CB ALA A 94 132.677 2.505 1.335 1.00 0.88 C ATOM 0 H ALA A 94 132.099 0.099 0.302 1.00 0.79 H new ATOM 0 HA ALA A 94 133.733 2.472 -0.543 1.00 0.86 H new ATOM 0 HB1 ALA A 94 133.324 3.266 1.772 1.00 0.88 H new ATOM 0 HB2 ALA A 94 131.791 2.980 0.914 1.00 0.88 H new ATOM 0 HB3 ALA A 94 132.377 1.797 2.108 1.00 0.88 H new ATOM 1526 N ASP A 95 135.841 1.522 0.404 1.00 1.00 N ATOM 1527 CA ASP A 95 137.092 0.917 0.942 1.00 1.08 C ATOM 1528 C ASP A 95 137.187 -0.545 0.498 1.00 1.06 C ATOM 1529 O ASP A 95 137.787 -1.367 1.162 1.00 1.14 O ATOM 1530 CB ASP A 95 137.073 0.984 2.471 1.00 1.14 C ATOM 1531 CG ASP A 95 136.751 2.411 2.917 1.00 1.29 C ATOM 1532 OD1 ASP A 95 136.402 3.213 2.066 1.00 1.77 O ATOM 1533 OD2 ASP A 95 136.860 2.679 4.102 1.00 1.74 O ATOM 0 H ASP A 95 135.978 2.260 -0.286 1.00 1.00 H new ATOM 0 HA ASP A 95 137.953 1.468 0.563 1.00 1.08 H new ATOM 0 HB2 ASP A 95 136.329 0.292 2.866 1.00 1.14 H new ATOM 0 HB3 ASP A 95 138.039 0.676 2.871 1.00 1.14 H new ATOM 1538 N GLY A 96 136.602 -0.876 -0.620 1.00 1.00 N ATOM 1539 CA GLY A 96 136.662 -2.285 -1.103 1.00 1.05 C ATOM 1540 C GLY A 96 135.705 -3.151 -0.281 1.00 1.01 C ATOM 1541 O GLY A 96 135.843 -4.356 -0.218 1.00 1.11 O ATOM 0 H GLY A 96 136.085 -0.233 -1.220 1.00 1.00 H new ATOM 0 HA2 GLY A 96 136.394 -2.330 -2.158 1.00 1.05 H new ATOM 0 HA3 GLY A 96 137.679 -2.667 -1.016 1.00 1.05 H new ATOM 1545 N LYS A 97 134.735 -2.547 0.350 1.00 0.94 N ATOM 1546 CA LYS A 97 133.771 -3.339 1.165 1.00 0.96 C ATOM 1547 C LYS A 97 132.347 -3.059 0.683 1.00 0.89 C ATOM 1548 O LYS A 97 132.067 -2.022 0.117 1.00 0.94 O ATOM 1549 CB LYS A 97 133.901 -2.944 2.637 1.00 1.01 C ATOM 1550 CG LYS A 97 134.232 -4.184 3.469 1.00 1.22 C ATOM 1551 CD LYS A 97 133.556 -4.079 4.838 1.00 1.55 C ATOM 1552 CE LYS A 97 134.615 -4.179 5.937 1.00 2.18 C ATOM 1553 NZ LYS A 97 134.366 -5.397 6.759 1.00 2.71 N ATOM 0 H LYS A 97 134.569 -1.541 0.336 1.00 0.94 H new ATOM 0 HA LYS A 97 133.989 -4.401 1.056 1.00 0.96 H new ATOM 0 HB2 LYS A 97 134.683 -2.194 2.756 1.00 1.01 H new ATOM 0 HB3 LYS A 97 132.972 -2.495 2.988 1.00 1.01 H new ATOM 0 HG2 LYS A 97 133.893 -5.082 2.953 1.00 1.22 H new ATOM 0 HG3 LYS A 97 135.311 -4.275 3.591 1.00 1.22 H new ATOM 0 HD2 LYS A 97 133.020 -3.133 4.919 1.00 1.55 H new ATOM 0 HD3 LYS A 97 132.820 -4.874 4.954 1.00 1.55 H new ATOM 0 HE2 LYS A 97 135.610 -4.223 5.495 1.00 2.18 H new ATOM 0 HE3 LYS A 97 134.585 -3.290 6.567 1.00 2.18 H new ATOM 0 HZ1 LYS A 97 135.086 -5.465 7.506 1.00 2.71 H new ATOM 0 HZ2 LYS A 97 133.422 -5.337 7.192 1.00 2.71 H new ATOM 0 HZ3 LYS A 97 134.415 -6.241 6.153 1.00 2.71 H new ATOM 1567 N MET A 98 131.444 -3.976 0.900 1.00 0.85 N ATOM 1568 CA MET A 98 130.040 -3.761 0.449 1.00 0.79 C ATOM 1569 C MET A 98 129.312 -2.859 1.448 1.00 0.75 C ATOM 1570 O MET A 98 128.925 -3.287 2.517 1.00 0.82 O ATOM 1571 CB MET A 98 129.321 -5.108 0.361 1.00 0.85 C ATOM 1572 CG MET A 98 127.927 -4.905 -0.236 1.00 0.87 C ATOM 1573 SD MET A 98 127.847 -5.689 -1.864 1.00 1.31 S ATOM 1574 CE MET A 98 127.509 -7.372 -1.290 1.00 1.26 C ATOM 0 H MET A 98 131.618 -4.864 1.370 1.00 0.85 H new ATOM 0 HA MET A 98 130.044 -3.285 -0.532 1.00 0.79 H new ATOM 0 HB2 MET A 98 129.895 -5.799 -0.256 1.00 0.85 H new ATOM 0 HB3 MET A 98 129.242 -5.555 1.352 1.00 0.85 H new ATOM 0 HG2 MET A 98 127.172 -5.333 0.423 1.00 0.87 H new ATOM 0 HG3 MET A 98 127.708 -3.841 -0.322 1.00 0.87 H new ATOM 0 HE1 MET A 98 128.234 -8.058 -1.728 1.00 1.26 H new ATOM 0 HE2 MET A 98 127.585 -7.408 -0.203 1.00 1.26 H new ATOM 0 HE3 MET A 98 126.504 -7.665 -1.593 1.00 1.26 H new ATOM 1584 N VAL A 99 129.119 -1.613 1.107 1.00 0.67 N ATOM 1585 CA VAL A 99 128.412 -0.689 2.038 1.00 0.65 C ATOM 1586 C VAL A 99 127.068 -1.305 2.433 1.00 0.66 C ATOM 1587 O VAL A 99 126.709 -1.344 3.593 1.00 0.69 O ATOM 1588 CB VAL A 99 128.177 0.654 1.344 1.00 0.59 C ATOM 1589 CG1 VAL A 99 127.280 1.531 2.220 1.00 0.61 C ATOM 1590 CG2 VAL A 99 129.520 1.356 1.129 1.00 0.67 C ATOM 0 H VAL A 99 129.420 -1.197 0.226 1.00 0.67 H new ATOM 0 HA VAL A 99 129.018 -0.532 2.930 1.00 0.65 H new ATOM 0 HB VAL A 99 127.694 0.487 0.381 1.00 0.59 H new ATOM 0 HG11 VAL A 99 127.112 2.488 1.726 1.00 0.61 H new ATOM 0 HG12 VAL A 99 126.324 1.031 2.377 1.00 0.61 H new ATOM 0 HG13 VAL A 99 127.764 1.699 3.182 1.00 0.61 H new ATOM 0 HG21 VAL A 99 129.355 2.313 0.635 1.00 0.67 H new ATOM 0 HG22 VAL A 99 130.001 1.523 2.092 1.00 0.67 H new ATOM 0 HG23 VAL A 99 130.161 0.732 0.507 1.00 0.67 H new ATOM 1600 N ASN A 100 126.323 -1.790 1.477 1.00 0.66 N ATOM 1601 CA ASN A 100 125.007 -2.408 1.800 1.00 0.71 C ATOM 1602 C ASN A 100 125.189 -3.410 2.942 1.00 0.77 C ATOM 1603 O ASN A 100 124.366 -3.511 3.830 1.00 0.78 O ATOM 1604 CB ASN A 100 124.466 -3.133 0.564 1.00 0.73 C ATOM 1605 CG ASN A 100 124.307 -2.137 -0.587 1.00 0.69 C ATOM 1606 OD1 ASN A 100 124.870 -1.060 -0.555 1.00 0.85 O ATOM 1607 ND2 ASN A 100 123.560 -2.453 -1.610 1.00 0.68 N ATOM 0 H ASN A 100 126.569 -1.785 0.487 1.00 0.66 H new ATOM 0 HA ASN A 100 124.302 -1.633 2.101 1.00 0.71 H new ATOM 0 HB2 ASN A 100 125.145 -3.934 0.274 1.00 0.73 H new ATOM 0 HB3 ASN A 100 123.506 -3.596 0.793 1.00 0.73 H new ATOM 0 HD21 ASN A 100 123.449 -1.796 -2.382 1.00 0.68 H new ATOM 0 HD22 ASN A 100 123.088 -3.357 -1.637 1.00 0.68 H new ATOM 1614 N GLU A 101 126.267 -4.147 2.930 1.00 0.85 N ATOM 1615 CA GLU A 101 126.504 -5.137 4.019 1.00 0.93 C ATOM 1616 C GLU A 101 126.743 -4.390 5.331 1.00 0.92 C ATOM 1617 O GLU A 101 126.312 -4.812 6.386 1.00 0.97 O ATOM 1618 CB GLU A 101 127.733 -5.985 3.683 1.00 1.01 C ATOM 1619 CG GLU A 101 127.741 -7.244 4.553 1.00 1.17 C ATOM 1620 CD GLU A 101 129.183 -7.706 4.770 1.00 1.65 C ATOM 1621 OE1 GLU A 101 130.028 -6.857 4.998 1.00 2.01 O ATOM 1622 OE2 GLU A 101 129.417 -8.902 4.706 1.00 2.32 O ATOM 0 H GLU A 101 126.993 -4.106 2.214 1.00 0.85 H new ATOM 0 HA GLU A 101 125.635 -5.787 4.119 1.00 0.93 H new ATOM 0 HB2 GLU A 101 127.721 -6.260 2.628 1.00 1.01 H new ATOM 0 HB3 GLU A 101 128.642 -5.408 3.852 1.00 1.01 H new ATOM 0 HG2 GLU A 101 127.266 -7.039 5.512 1.00 1.17 H new ATOM 0 HG3 GLU A 101 127.163 -8.034 4.073 1.00 1.17 H new ATOM 1629 N ALA A 102 127.424 -3.281 5.271 1.00 0.88 N ATOM 1630 CA ALA A 102 127.689 -2.500 6.512 1.00 0.89 C ATOM 1631 C ALA A 102 126.360 -2.125 7.166 1.00 0.89 C ATOM 1632 O ALA A 102 126.190 -2.242 8.363 1.00 0.96 O ATOM 1633 CB ALA A 102 128.461 -1.227 6.161 1.00 0.87 C ATOM 0 H ALA A 102 127.809 -2.880 4.416 1.00 0.88 H new ATOM 0 HA ALA A 102 128.280 -3.102 7.202 1.00 0.89 H new ATOM 0 HB1 ALA A 102 128.654 -0.657 7.069 1.00 0.87 H new ATOM 0 HB2 ALA A 102 129.408 -1.494 5.692 1.00 0.87 H new ATOM 0 HB3 ALA A 102 127.872 -0.623 5.471 1.00 0.87 H new ATOM 1639 N LEU A 103 125.417 -1.678 6.387 1.00 0.82 N ATOM 1640 CA LEU A 103 124.096 -1.298 6.959 1.00 0.84 C ATOM 1641 C LEU A 103 123.477 -2.514 7.649 1.00 0.92 C ATOM 1642 O LEU A 103 123.071 -2.452 8.793 1.00 0.98 O ATOM 1643 CB LEU A 103 123.169 -0.819 5.839 1.00 0.80 C ATOM 1644 CG LEU A 103 123.481 0.641 5.509 1.00 0.76 C ATOM 1645 CD1 LEU A 103 123.271 0.884 4.014 1.00 0.78 C ATOM 1646 CD2 LEU A 103 122.549 1.555 6.309 1.00 0.86 C ATOM 0 H LEU A 103 125.503 -1.559 5.378 1.00 0.82 H new ATOM 0 HA LEU A 103 124.230 -0.494 7.683 1.00 0.84 H new ATOM 0 HB2 LEU A 103 123.301 -1.440 4.953 1.00 0.80 H new ATOM 0 HB3 LEU A 103 122.128 -0.919 6.146 1.00 0.80 H new ATOM 0 HG LEU A 103 124.517 0.858 5.770 1.00 0.76 H new ATOM 0 HD11 LEU A 103 123.494 1.925 3.780 1.00 0.78 H new ATOM 0 HD12 LEU A 103 123.934 0.234 3.443 1.00 0.78 H new ATOM 0 HD13 LEU A 103 122.236 0.667 3.752 1.00 0.78 H new ATOM 0 HD21 LEU A 103 122.771 2.596 6.074 1.00 0.86 H new ATOM 0 HD22 LEU A 103 121.513 1.337 6.048 1.00 0.86 H new ATOM 0 HD23 LEU A 103 122.698 1.384 7.375 1.00 0.86 H new ATOM 1658 N VAL A 104 123.407 -3.623 6.964 1.00 0.95 N ATOM 1659 CA VAL A 104 122.820 -4.843 7.585 1.00 1.04 C ATOM 1660 C VAL A 104 123.652 -5.235 8.806 1.00 1.10 C ATOM 1661 O VAL A 104 123.181 -5.908 9.701 1.00 1.21 O ATOM 1662 CB VAL A 104 122.830 -5.988 6.572 1.00 1.10 C ATOM 1663 CG1 VAL A 104 122.084 -7.189 7.154 1.00 1.26 C ATOM 1664 CG2 VAL A 104 122.139 -5.535 5.284 1.00 1.08 C ATOM 0 H VAL A 104 123.730 -3.736 6.003 1.00 0.95 H new ATOM 0 HA VAL A 104 121.793 -4.641 7.890 1.00 1.04 H new ATOM 0 HB VAL A 104 123.860 -6.270 6.353 1.00 1.10 H new ATOM 0 HG11 VAL A 104 122.091 -8.006 6.432 1.00 1.26 H new ATOM 0 HG12 VAL A 104 122.575 -7.512 8.072 1.00 1.26 H new ATOM 0 HG13 VAL A 104 121.054 -6.907 7.373 1.00 1.26 H new ATOM 0 HG21 VAL A 104 122.146 -6.351 4.561 1.00 1.08 H new ATOM 0 HG22 VAL A 104 121.109 -5.253 5.503 1.00 1.08 H new ATOM 0 HG23 VAL A 104 122.669 -4.678 4.869 1.00 1.08 H new ATOM 1674 N ARG A 105 124.887 -4.814 8.848 1.00 1.06 N ATOM 1675 CA ARG A 105 125.754 -5.155 10.009 1.00 1.13 C ATOM 1676 C ARG A 105 125.326 -4.324 11.219 1.00 1.15 C ATOM 1677 O ARG A 105 125.296 -4.803 12.335 1.00 1.25 O ATOM 1678 CB ARG A 105 127.209 -4.841 9.660 1.00 1.13 C ATOM 1679 CG ARG A 105 127.915 -6.122 9.213 1.00 1.43 C ATOM 1680 CD ARG A 105 129.062 -6.436 10.175 1.00 1.69 C ATOM 1681 NE ARG A 105 129.865 -5.203 10.409 1.00 2.02 N ATOM 1682 CZ ARG A 105 130.939 -5.255 11.149 1.00 2.48 C ATOM 1683 NH1 ARG A 105 130.868 -5.704 12.372 1.00 3.19 N ATOM 1684 NH2 ARG A 105 132.085 -4.857 10.667 1.00 2.86 N ATOM 0 H ARG A 105 125.333 -4.248 8.126 1.00 1.06 H new ATOM 0 HA ARG A 105 125.657 -6.215 10.244 1.00 1.13 H new ATOM 0 HB2 ARG A 105 127.251 -4.095 8.867 1.00 1.13 H new ATOM 0 HB3 ARG A 105 127.718 -4.416 10.525 1.00 1.13 H new ATOM 0 HG2 ARG A 105 127.208 -6.951 9.191 1.00 1.43 H new ATOM 0 HG3 ARG A 105 128.299 -6.004 8.200 1.00 1.43 H new ATOM 0 HD2 ARG A 105 128.667 -6.810 11.119 1.00 1.69 H new ATOM 0 HD3 ARG A 105 129.694 -7.221 9.760 1.00 1.69 H new ATOM 0 HE ARG A 105 129.576 -4.319 9.991 1.00 2.02 H new ATOM 0 HH11 ARG A 105 129.973 -6.015 12.750 1.00 3.19 H new ATOM 0 HH12 ARG A 105 131.707 -5.745 12.950 1.00 3.19 H new ATOM 0 HH21 ARG A 105 132.142 -4.505 9.711 1.00 2.86 H new ATOM 0 HH22 ARG A 105 132.924 -4.898 11.246 1.00 2.86 H new ATOM 1698 N GLN A 106 124.989 -3.082 11.006 1.00 1.09 N ATOM 1699 CA GLN A 106 124.558 -2.223 12.143 1.00 1.16 C ATOM 1700 C GLN A 106 123.044 -2.346 12.322 1.00 1.18 C ATOM 1701 O GLN A 106 122.433 -1.595 13.055 1.00 1.24 O ATOM 1702 CB GLN A 106 124.920 -0.765 11.850 1.00 1.12 C ATOM 1703 CG GLN A 106 125.130 -0.017 13.168 1.00 1.27 C ATOM 1704 CD GLN A 106 126.211 -0.723 13.990 1.00 1.70 C ATOM 1705 OE1 GLN A 106 126.896 -1.594 13.491 1.00 2.38 O ATOM 1706 NE2 GLN A 106 126.393 -0.383 15.236 1.00 2.25 N ATOM 0 H GLN A 106 124.994 -2.625 10.094 1.00 1.09 H new ATOM 0 HA GLN A 106 125.062 -2.544 13.054 1.00 1.16 H new ATOM 0 HB2 GLN A 106 125.825 -0.718 11.245 1.00 1.12 H new ATOM 0 HB3 GLN A 106 124.126 -0.291 11.273 1.00 1.12 H new ATOM 0 HG2 GLN A 106 125.424 1.014 12.970 1.00 1.27 H new ATOM 0 HG3 GLN A 106 124.197 0.020 13.730 1.00 1.27 H new ATOM 0 HE21 GLN A 106 125.818 0.348 15.654 1.00 2.25 H new ATOM 0 HE22 GLN A 106 127.111 -0.848 15.792 1.00 2.25 H new ATOM 1715 N GLY A 107 122.433 -3.289 11.656 1.00 1.18 N ATOM 1716 CA GLY A 107 120.959 -3.459 11.789 1.00 1.22 C ATOM 1717 C GLY A 107 120.262 -2.124 11.517 1.00 1.17 C ATOM 1718 O GLY A 107 119.426 -1.684 12.280 1.00 1.22 O ATOM 0 H GLY A 107 122.891 -3.948 11.026 1.00 1.18 H new ATOM 0 HA2 GLY A 107 120.605 -4.215 11.088 1.00 1.22 H new ATOM 0 HA3 GLY A 107 120.712 -3.812 12.790 1.00 1.22 H new ATOM 1722 N LEU A 108 120.596 -1.478 10.433 1.00 1.12 N ATOM 1723 CA LEU A 108 119.947 -0.174 10.115 1.00 1.08 C ATOM 1724 C LEU A 108 119.050 -0.339 8.888 1.00 1.04 C ATOM 1725 O LEU A 108 118.078 0.369 8.717 1.00 1.10 O ATOM 1726 CB LEU A 108 121.021 0.878 9.830 1.00 1.06 C ATOM 1727 CG LEU A 108 121.496 1.487 11.150 1.00 1.16 C ATOM 1728 CD1 LEU A 108 122.584 2.526 10.875 1.00 1.19 C ATOM 1729 CD2 LEU A 108 120.317 2.163 11.853 1.00 1.24 C ATOM 0 H LEU A 108 121.289 -1.796 9.755 1.00 1.12 H new ATOM 0 HA LEU A 108 119.344 0.149 10.964 1.00 1.08 H new ATOM 0 HB2 LEU A 108 121.860 0.424 9.303 1.00 1.06 H new ATOM 0 HB3 LEU A 108 120.620 1.656 9.181 1.00 1.06 H new ATOM 0 HG LEU A 108 121.899 0.699 11.786 1.00 1.16 H new ATOM 0 HD11 LEU A 108 122.921 2.958 11.817 1.00 1.19 H new ATOM 0 HD12 LEU A 108 123.426 2.048 10.374 1.00 1.19 H new ATOM 0 HD13 LEU A 108 122.182 3.314 10.237 1.00 1.19 H new ATOM 0 HD21 LEU A 108 120.655 2.597 12.794 1.00 1.24 H new ATOM 0 HD22 LEU A 108 119.915 2.949 11.214 1.00 1.24 H new ATOM 0 HD23 LEU A 108 119.540 1.425 12.052 1.00 1.24 H new ATOM 1741 N ALA A 109 119.366 -1.273 8.034 1.00 1.06 N ATOM 1742 CA ALA A 109 118.529 -1.490 6.821 1.00 1.05 C ATOM 1743 C ALA A 109 118.244 -2.986 6.670 1.00 1.09 C ATOM 1744 O ALA A 109 119.143 -3.803 6.700 1.00 1.19 O ATOM 1745 CB ALA A 109 119.276 -0.980 5.587 1.00 1.04 C ATOM 0 H ALA A 109 120.169 -1.896 8.124 1.00 1.06 H new ATOM 0 HA ALA A 109 117.589 -0.947 6.920 1.00 1.05 H new ATOM 0 HB1 ALA A 109 118.664 -1.139 4.699 1.00 1.04 H new ATOM 0 HB2 ALA A 109 119.482 0.084 5.700 1.00 1.04 H new ATOM 0 HB3 ALA A 109 120.216 -1.522 5.481 1.00 1.04 H new ATOM 1751 N LYS A 110 117.001 -3.353 6.514 1.00 1.08 N ATOM 1752 CA LYS A 110 116.667 -4.799 6.370 1.00 1.15 C ATOM 1753 C LYS A 110 116.509 -5.145 4.888 1.00 1.13 C ATOM 1754 O LYS A 110 116.211 -4.297 4.071 1.00 1.19 O ATOM 1755 CB LYS A 110 115.359 -5.099 7.107 1.00 1.22 C ATOM 1756 CG LYS A 110 114.296 -4.081 6.694 1.00 1.60 C ATOM 1757 CD LYS A 110 112.979 -4.805 6.409 1.00 1.84 C ATOM 1758 CE LYS A 110 112.308 -5.182 7.731 1.00 2.30 C ATOM 1759 NZ LYS A 110 110.848 -4.894 7.647 1.00 2.63 N ATOM 0 H LYS A 110 116.205 -2.717 6.480 1.00 1.08 H new ATOM 0 HA LYS A 110 117.470 -5.399 6.798 1.00 1.15 H new ATOM 0 HB2 LYS A 110 115.021 -6.109 6.874 1.00 1.22 H new ATOM 0 HB3 LYS A 110 115.518 -5.057 8.184 1.00 1.22 H new ATOM 0 HG2 LYS A 110 114.155 -3.345 7.486 1.00 1.60 H new ATOM 0 HG3 LYS A 110 114.623 -3.537 5.808 1.00 1.60 H new ATOM 0 HD2 LYS A 110 112.319 -4.165 5.823 1.00 1.84 H new ATOM 0 HD3 LYS A 110 113.165 -5.700 5.815 1.00 1.84 H new ATOM 0 HE2 LYS A 110 112.469 -6.239 7.945 1.00 2.30 H new ATOM 0 HE3 LYS A 110 112.754 -4.619 8.551 1.00 2.30 H new ATOM 0 HZ1 LYS A 110 110.391 -5.150 8.546 1.00 2.63 H new ATOM 0 HZ2 LYS A 110 110.704 -3.881 7.462 1.00 2.63 H new ATOM 0 HZ3 LYS A 110 110.428 -5.450 6.875 1.00 2.63 H new ATOM 1773 N VAL A 111 116.708 -6.386 4.535 1.00 1.11 N ATOM 1774 CA VAL A 111 116.571 -6.786 3.107 1.00 1.11 C ATOM 1775 C VAL A 111 115.138 -6.525 2.639 1.00 1.16 C ATOM 1776 O VAL A 111 114.185 -6.804 3.339 1.00 1.27 O ATOM 1777 CB VAL A 111 116.893 -8.275 2.960 1.00 1.20 C ATOM 1778 CG1 VAL A 111 116.910 -8.651 1.477 1.00 1.25 C ATOM 1779 CG2 VAL A 111 118.265 -8.561 3.573 1.00 1.24 C ATOM 0 H VAL A 111 116.960 -7.140 5.175 1.00 1.11 H new ATOM 0 HA VAL A 111 117.263 -6.203 2.499 1.00 1.11 H new ATOM 0 HB VAL A 111 116.133 -8.863 3.475 1.00 1.20 H new ATOM 0 HG11 VAL A 111 117.139 -9.712 1.373 1.00 1.25 H new ATOM 0 HG12 VAL A 111 115.933 -8.446 1.039 1.00 1.25 H new ATOM 0 HG13 VAL A 111 117.669 -8.063 0.961 1.00 1.25 H new ATOM 0 HG21 VAL A 111 118.496 -9.621 3.469 1.00 1.24 H new ATOM 0 HG22 VAL A 111 119.024 -7.972 3.058 1.00 1.24 H new ATOM 0 HG23 VAL A 111 118.254 -8.294 4.630 1.00 1.24 H new ATOM 1789 N ALA A 112 114.977 -5.991 1.459 1.00 1.13 N ATOM 1790 CA ALA A 112 113.606 -5.712 0.947 1.00 1.21 C ATOM 1791 C ALA A 112 113.677 -5.348 -0.537 1.00 1.19 C ATOM 1792 O ALA A 112 114.741 -5.138 -1.084 1.00 1.13 O ATOM 1793 CB ALA A 112 112.996 -4.546 1.729 1.00 1.24 C ATOM 0 H ALA A 112 115.736 -5.736 0.827 1.00 1.13 H new ATOM 0 HA ALA A 112 112.986 -6.599 1.073 1.00 1.21 H new ATOM 0 HB1 ALA A 112 111.993 -4.342 1.354 1.00 1.24 H new ATOM 0 HB2 ALA A 112 112.943 -4.805 2.786 1.00 1.24 H new ATOM 0 HB3 ALA A 112 113.617 -3.659 1.604 1.00 1.24 H new ATOM 1799 N TYR A 113 112.551 -5.270 -1.192 1.00 1.26 N ATOM 1800 CA TYR A 113 112.554 -4.917 -2.639 1.00 1.28 C ATOM 1801 C TYR A 113 113.369 -5.953 -3.415 1.00 1.29 C ATOM 1802 O TYR A 113 114.385 -5.643 -4.005 1.00 1.29 O ATOM 1803 CB TYR A 113 113.179 -3.534 -2.825 1.00 1.23 C ATOM 1804 CG TYR A 113 112.210 -2.478 -2.350 1.00 1.24 C ATOM 1805 CD1 TYR A 113 110.868 -2.531 -2.746 1.00 1.30 C ATOM 1806 CD2 TYR A 113 112.653 -1.446 -1.514 1.00 1.24 C ATOM 1807 CE1 TYR A 113 109.969 -1.552 -2.306 1.00 1.34 C ATOM 1808 CE2 TYR A 113 111.753 -0.467 -1.074 1.00 1.28 C ATOM 1809 CZ TYR A 113 110.412 -0.520 -1.470 1.00 1.33 C ATOM 1810 OH TYR A 113 109.526 0.445 -1.037 1.00 1.40 O ATOM 0 H TYR A 113 111.629 -5.436 -0.787 1.00 1.26 H new ATOM 0 HA TYR A 113 111.530 -4.906 -3.012 1.00 1.28 H new ATOM 0 HB2 TYR A 113 114.112 -3.466 -2.265 1.00 1.23 H new ATOM 0 HB3 TYR A 113 113.425 -3.372 -3.874 1.00 1.23 H new ATOM 0 HD1 TYR A 113 110.526 -3.327 -3.391 1.00 1.30 H new ATOM 0 HD2 TYR A 113 113.688 -1.405 -1.209 1.00 1.24 H new ATOM 0 HE1 TYR A 113 108.934 -1.593 -2.611 1.00 1.34 H new ATOM 0 HE2 TYR A 113 112.094 0.329 -0.429 1.00 1.28 H new ATOM 0 HH TYR A 113 109.995 1.087 -0.464 1.00 1.40 H new ATOM 1820 N VAL A 114 112.931 -7.182 -3.420 1.00 1.36 N ATOM 1821 CA VAL A 114 113.680 -8.236 -4.157 1.00 1.41 C ATOM 1822 C VAL A 114 112.924 -8.599 -5.436 1.00 1.49 C ATOM 1823 O VAL A 114 111.883 -9.225 -5.398 1.00 1.71 O ATOM 1824 CB VAL A 114 113.809 -9.476 -3.271 1.00 1.50 C ATOM 1825 CG1 VAL A 114 114.902 -10.392 -3.827 1.00 1.63 C ATOM 1826 CG2 VAL A 114 114.179 -9.049 -1.849 1.00 1.42 C ATOM 0 H VAL A 114 112.086 -7.501 -2.945 1.00 1.36 H new ATOM 0 HA VAL A 114 114.672 -7.867 -4.416 1.00 1.41 H new ATOM 0 HB VAL A 114 112.860 -10.011 -3.257 1.00 1.50 H new ATOM 0 HG11 VAL A 114 114.993 -11.275 -3.195 1.00 1.63 H new ATOM 0 HG12 VAL A 114 114.641 -10.697 -4.840 1.00 1.63 H new ATOM 0 HG13 VAL A 114 115.852 -9.857 -3.842 1.00 1.63 H new ATOM 0 HG21 VAL A 114 114.271 -9.932 -1.216 1.00 1.42 H new ATOM 0 HG22 VAL A 114 115.128 -8.513 -1.865 1.00 1.42 H new ATOM 0 HG23 VAL A 114 113.401 -8.397 -1.451 1.00 1.42 H new ATOM 1836 N TYR A 115 113.438 -8.212 -6.571 1.00 1.41 N ATOM 1837 CA TYR A 115 112.749 -8.537 -7.851 1.00 1.52 C ATOM 1838 C TYR A 115 113.770 -9.065 -8.859 1.00 1.51 C ATOM 1839 O TYR A 115 114.712 -8.386 -9.215 1.00 1.56 O ATOM 1840 CB TYR A 115 112.088 -7.276 -8.411 1.00 1.53 C ATOM 1841 CG TYR A 115 111.168 -6.685 -7.372 1.00 1.54 C ATOM 1842 CD1 TYR A 115 109.891 -7.225 -7.178 1.00 1.68 C ATOM 1843 CD2 TYR A 115 111.591 -5.595 -6.601 1.00 1.52 C ATOM 1844 CE1 TYR A 115 109.038 -6.677 -6.213 1.00 1.72 C ATOM 1845 CE2 TYR A 115 110.738 -5.046 -5.637 1.00 1.55 C ATOM 1846 CZ TYR A 115 109.462 -5.587 -5.443 1.00 1.63 C ATOM 1847 OH TYR A 115 108.621 -5.046 -4.492 1.00 1.70 O ATOM 0 H TYR A 115 114.306 -7.685 -6.667 1.00 1.41 H new ATOM 0 HA TYR A 115 111.988 -9.296 -7.670 1.00 1.52 H new ATOM 0 HB2 TYR A 115 112.849 -6.549 -8.694 1.00 1.53 H new ATOM 0 HB3 TYR A 115 111.527 -7.517 -9.314 1.00 1.53 H new ATOM 0 HD1 TYR A 115 109.564 -8.065 -7.773 1.00 1.68 H new ATOM 0 HD2 TYR A 115 112.576 -5.178 -6.750 1.00 1.52 H new ATOM 0 HE1 TYR A 115 108.053 -7.095 -6.062 1.00 1.72 H new ATOM 0 HE2 TYR A 115 111.064 -4.205 -5.043 1.00 1.55 H new ATOM 0 HH TYR A 115 108.031 -5.745 -4.141 1.00 1.70 H new ATOM 1857 N LYS A 116 113.591 -10.271 -9.323 1.00 1.55 N ATOM 1858 CA LYS A 116 114.553 -10.838 -10.309 1.00 1.56 C ATOM 1859 C LYS A 116 114.559 -9.970 -11.569 1.00 1.58 C ATOM 1860 O LYS A 116 113.585 -9.308 -11.871 1.00 1.62 O ATOM 1861 CB LYS A 116 114.130 -12.262 -10.676 1.00 1.69 C ATOM 1862 CG LYS A 116 113.833 -13.055 -9.401 1.00 2.02 C ATOM 1863 CD LYS A 116 113.968 -14.552 -9.688 1.00 2.37 C ATOM 1864 CE LYS A 116 112.708 -15.054 -10.396 1.00 2.70 C ATOM 1865 NZ LYS A 116 112.197 -16.270 -9.700 1.00 3.25 N ATOM 0 H LYS A 116 112.821 -10.887 -9.062 1.00 1.55 H new ATOM 0 HA LYS A 116 115.552 -10.857 -9.872 1.00 1.56 H new ATOM 0 HB2 LYS A 116 113.247 -12.237 -11.314 1.00 1.69 H new ATOM 0 HB3 LYS A 116 114.920 -12.752 -11.245 1.00 1.69 H new ATOM 0 HG2 LYS A 116 114.522 -12.762 -8.609 1.00 2.02 H new ATOM 0 HG3 LYS A 116 112.827 -12.831 -9.047 1.00 2.02 H new ATOM 0 HD2 LYS A 116 114.844 -14.736 -10.309 1.00 2.37 H new ATOM 0 HD3 LYS A 116 114.117 -15.099 -8.757 1.00 2.37 H new ATOM 0 HE2 LYS A 116 111.945 -14.276 -10.398 1.00 2.70 H new ATOM 0 HE3 LYS A 116 112.931 -15.285 -11.438 1.00 2.70 H new ATOM 0 HZ1 LYS A 116 111.341 -16.611 -10.181 1.00 3.25 H new ATOM 0 HZ2 LYS A 116 112.925 -17.013 -9.720 1.00 3.25 H new ATOM 0 HZ3 LYS A 116 111.969 -16.035 -8.713 1.00 3.25 H new ATOM 1879 N PRO A 117 115.660 -10.008 -12.272 1.00 1.56 N ATOM 1880 CA PRO A 117 116.852 -10.813 -11.909 1.00 1.54 C ATOM 1881 C PRO A 117 117.798 -10.001 -11.018 1.00 1.42 C ATOM 1882 O PRO A 117 118.907 -10.411 -10.737 1.00 1.42 O ATOM 1883 CB PRO A 117 117.494 -11.096 -13.264 1.00 1.60 C ATOM 1884 CG PRO A 117 117.040 -9.970 -14.209 1.00 1.60 C ATOM 1885 CD PRO A 117 115.859 -9.254 -13.535 1.00 1.59 C ATOM 0 HA PRO A 117 116.613 -11.716 -11.348 1.00 1.54 H new ATOM 0 HB2 PRO A 117 118.581 -11.118 -13.181 1.00 1.60 H new ATOM 0 HB3 PRO A 117 117.184 -12.069 -13.644 1.00 1.60 H new ATOM 0 HG2 PRO A 117 117.856 -9.272 -14.395 1.00 1.60 H new ATOM 0 HG3 PRO A 117 116.742 -10.377 -15.175 1.00 1.60 H new ATOM 0 HD2 PRO A 117 116.084 -8.205 -13.343 1.00 1.59 H new ATOM 0 HD3 PRO A 117 114.967 -9.279 -14.160 1.00 1.59 H new ATOM 1893 N ASN A 118 117.370 -8.849 -10.578 1.00 1.37 N ATOM 1894 CA ASN A 118 118.247 -8.009 -9.713 1.00 1.28 C ATOM 1895 C ASN A 118 118.269 -8.573 -8.291 1.00 1.28 C ATOM 1896 O ASN A 118 117.589 -8.086 -7.409 1.00 1.30 O ATOM 1897 CB ASN A 118 117.709 -6.577 -9.684 1.00 1.27 C ATOM 1898 CG ASN A 118 118.152 -5.838 -10.948 1.00 1.22 C ATOM 1899 OD1 ASN A 118 119.046 -6.280 -11.642 1.00 1.21 O ATOM 1900 ND2 ASN A 118 117.560 -4.722 -11.278 1.00 1.28 N ATOM 0 H ASN A 118 116.452 -8.453 -10.780 1.00 1.37 H new ATOM 0 HA ASN A 118 119.260 -8.013 -10.116 1.00 1.28 H new ATOM 0 HB2 ASN A 118 116.621 -6.588 -9.619 1.00 1.27 H new ATOM 0 HB3 ASN A 118 118.076 -6.057 -8.799 1.00 1.27 H new ATOM 0 HD21 ASN A 118 117.848 -4.221 -12.119 1.00 1.28 H new ATOM 0 HD22 ASN A 118 116.809 -4.351 -10.695 1.00 1.28 H new ATOM 1907 N ASN A 119 119.049 -9.594 -8.058 1.00 1.32 N ATOM 1908 CA ASN A 119 119.119 -10.183 -6.690 1.00 1.34 C ATOM 1909 C ASN A 119 120.342 -11.098 -6.592 1.00 1.31 C ATOM 1910 O ASN A 119 120.365 -12.041 -5.825 1.00 1.38 O ATOM 1911 CB ASN A 119 117.848 -10.990 -6.414 1.00 1.51 C ATOM 1912 CG ASN A 119 117.773 -12.176 -7.376 1.00 1.73 C ATOM 1913 OD1 ASN A 119 118.483 -12.222 -8.361 1.00 2.43 O ATOM 1914 ND2 ASN A 119 116.934 -13.145 -7.131 1.00 1.82 N ATOM 0 H ASN A 119 119.641 -10.045 -8.756 1.00 1.32 H new ATOM 0 HA ASN A 119 119.205 -9.384 -5.953 1.00 1.34 H new ATOM 0 HB2 ASN A 119 117.847 -11.345 -5.383 1.00 1.51 H new ATOM 0 HB3 ASN A 119 116.970 -10.356 -6.534 1.00 1.51 H new ATOM 0 HD21 ASN A 119 116.874 -13.941 -7.766 1.00 1.82 H new ATOM 0 HD22 ASN A 119 116.338 -13.107 -6.304 1.00 1.82 H new ATOM 1921 N THR A 120 121.360 -10.828 -7.364 1.00 1.25 N ATOM 1922 CA THR A 120 122.582 -11.682 -7.319 1.00 1.29 C ATOM 1923 C THR A 120 123.234 -11.576 -5.938 1.00 1.26 C ATOM 1924 O THR A 120 123.730 -12.546 -5.400 1.00 1.37 O ATOM 1925 CB THR A 120 123.572 -11.212 -8.388 1.00 1.26 C ATOM 1926 OG1 THR A 120 122.948 -11.268 -9.664 1.00 1.57 O ATOM 1927 CG2 THR A 120 124.804 -12.118 -8.379 1.00 1.43 C ATOM 0 H THR A 120 121.398 -10.052 -8.025 1.00 1.25 H new ATOM 0 HA THR A 120 122.305 -12.719 -7.509 1.00 1.29 H new ATOM 0 HB THR A 120 123.878 -10.187 -8.177 1.00 1.26 H new ATOM 0 HG1 THR A 120 122.890 -10.365 -10.040 1.00 1.57 H new ATOM 0 HG21 THR A 120 125.508 -11.782 -9.140 1.00 1.43 H new ATOM 0 HG22 THR A 120 125.281 -12.074 -7.400 1.00 1.43 H new ATOM 0 HG23 THR A 120 124.503 -13.144 -8.590 1.00 1.43 H new ATOM 1935 N HIS A 121 123.238 -10.406 -5.358 1.00 1.18 N ATOM 1936 CA HIS A 121 123.859 -10.246 -4.013 1.00 1.16 C ATOM 1937 C HIS A 121 122.787 -10.413 -2.935 1.00 1.14 C ATOM 1938 O HIS A 121 122.911 -9.906 -1.838 1.00 1.12 O ATOM 1939 CB HIS A 121 124.486 -8.854 -3.901 1.00 1.12 C ATOM 1940 CG HIS A 121 125.841 -8.861 -4.553 1.00 1.24 C ATOM 1941 ND1 HIS A 121 126.450 -7.977 -5.408 1.00 1.61 N flip ATOM 1942 CD2 HIS A 121 126.755 -9.884 -4.351 1.00 1.26 C flip ATOM 1943 CE1 HIS A 121 127.722 -8.440 -5.732 1.00 1.67 C flip ATOM 1944 NE2 HIS A 121 127.855 -9.591 -5.070 1.00 1.43 N flip ATOM 0 H HIS A 121 122.839 -9.556 -5.757 1.00 1.18 H new ATOM 0 HA HIS A 121 124.632 -11.002 -3.877 1.00 1.16 H new ATOM 0 HB2 HIS A 121 123.844 -8.115 -4.380 1.00 1.12 H new ATOM 0 HB3 HIS A 121 124.576 -8.567 -2.853 1.00 1.12 H new ATOM 0 HD1 HIS A 121 126.034 -7.112 -5.753 1.00 1.61 H new ATOM 0 HD2 HIS A 121 126.611 -10.756 -3.731 1.00 1.26 H new ATOM 0 HE1 HIS A 121 128.446 -7.969 -6.380 1.00 1.67 H new ATOM 1952 N GLU A 122 121.733 -11.119 -3.240 1.00 1.19 N ATOM 1953 CA GLU A 122 120.652 -11.318 -2.234 1.00 1.21 C ATOM 1954 C GLU A 122 121.072 -12.403 -1.239 1.00 1.24 C ATOM 1955 O GLU A 122 120.607 -12.442 -0.118 1.00 1.24 O ATOM 1956 CB GLU A 122 119.369 -11.750 -2.947 1.00 1.31 C ATOM 1957 CG GLU A 122 118.216 -11.788 -1.943 1.00 1.37 C ATOM 1958 CD GLU A 122 117.261 -12.927 -2.307 1.00 1.91 C ATOM 1959 OE1 GLU A 122 117.563 -14.059 -1.966 1.00 2.43 O ATOM 1960 OE2 GLU A 122 116.245 -12.647 -2.920 1.00 2.58 O ATOM 0 H GLU A 122 121.574 -11.567 -4.143 1.00 1.19 H new ATOM 0 HA GLU A 122 120.476 -10.385 -1.699 1.00 1.21 H new ATOM 0 HB2 GLU A 122 119.138 -11.056 -3.756 1.00 1.31 H new ATOM 0 HB3 GLU A 122 119.505 -12.733 -3.399 1.00 1.31 H new ATOM 0 HG2 GLU A 122 118.603 -11.932 -0.934 1.00 1.37 H new ATOM 0 HG3 GLU A 122 117.684 -10.837 -1.948 1.00 1.37 H new ATOM 1967 N GLN A 123 121.946 -13.285 -1.642 1.00 1.33 N ATOM 1968 CA GLN A 123 122.393 -14.367 -0.720 1.00 1.40 C ATOM 1969 C GLN A 123 123.270 -13.771 0.382 1.00 1.32 C ATOM 1970 O GLN A 123 123.056 -14.004 1.555 1.00 1.33 O ATOM 1971 CB GLN A 123 123.199 -15.403 -1.506 1.00 1.52 C ATOM 1972 CG GLN A 123 122.649 -16.802 -1.222 1.00 1.65 C ATOM 1973 CD GLN A 123 121.240 -16.925 -1.805 1.00 2.08 C ATOM 1974 OE1 GLN A 123 120.275 -16.535 -1.177 1.00 2.69 O ATOM 1975 NE2 GLN A 123 121.079 -17.454 -2.987 1.00 2.58 N ATOM 0 H GLN A 123 122.370 -13.303 -2.570 1.00 1.33 H new ATOM 0 HA GLN A 123 121.522 -14.845 -0.272 1.00 1.40 H new ATOM 0 HB2 GLN A 123 123.143 -15.189 -2.573 1.00 1.52 H new ATOM 0 HB3 GLN A 123 124.251 -15.350 -1.225 1.00 1.52 H new ATOM 0 HG2 GLN A 123 123.302 -17.557 -1.660 1.00 1.65 H new ATOM 0 HG3 GLN A 123 122.627 -16.984 -0.148 1.00 1.65 H new ATOM 0 HE21 GLN A 123 121.889 -17.781 -3.514 1.00 2.58 H new ATOM 0 HE22 GLN A 123 120.143 -17.540 -3.384 1.00 2.58 H new ATOM 1984 N LEU A 124 124.260 -13.005 0.014 1.00 1.27 N ATOM 1985 CA LEU A 124 125.154 -12.396 1.038 1.00 1.22 C ATOM 1986 C LEU A 124 124.338 -11.480 1.954 1.00 1.16 C ATOM 1987 O LEU A 124 124.511 -11.476 3.157 1.00 1.19 O ATOM 1988 CB LEU A 124 126.243 -11.580 0.338 1.00 1.20 C ATOM 1989 CG LEU A 124 127.161 -10.948 1.384 1.00 1.29 C ATOM 1990 CD1 LEU A 124 127.640 -12.024 2.360 1.00 1.47 C ATOM 1991 CD2 LEU A 124 128.370 -10.321 0.685 1.00 1.95 C ATOM 0 H LEU A 124 124.488 -12.774 -0.953 1.00 1.27 H new ATOM 0 HA LEU A 124 125.614 -13.184 1.634 1.00 1.22 H new ATOM 0 HB2 LEU A 124 126.821 -12.221 -0.328 1.00 1.20 H new ATOM 0 HB3 LEU A 124 125.790 -10.804 -0.280 1.00 1.20 H new ATOM 0 HG LEU A 124 126.615 -10.179 1.931 1.00 1.29 H new ATOM 0 HD11 LEU A 124 128.295 -11.573 3.106 1.00 1.47 H new ATOM 0 HD12 LEU A 124 126.780 -12.474 2.856 1.00 1.47 H new ATOM 0 HD13 LEU A 124 128.187 -12.793 1.814 1.00 1.47 H new ATOM 0 HD21 LEU A 124 129.027 -9.869 1.429 1.00 1.95 H new ATOM 0 HD22 LEU A 124 128.915 -11.092 0.140 1.00 1.95 H new ATOM 0 HD23 LEU A 124 128.030 -9.555 -0.012 1.00 1.95 H new ATOM 2003 N LEU A 125 123.451 -10.704 1.395 1.00 1.10 N ATOM 2004 CA LEU A 125 122.628 -9.787 2.234 1.00 1.07 C ATOM 2005 C LEU A 125 121.623 -10.600 3.054 1.00 1.15 C ATOM 2006 O LEU A 125 121.114 -10.142 4.058 1.00 1.20 O ATOM 2007 CB LEU A 125 121.875 -8.809 1.330 1.00 1.02 C ATOM 2008 CG LEU A 125 122.873 -8.084 0.427 1.00 0.95 C ATOM 2009 CD1 LEU A 125 122.114 -7.227 -0.588 1.00 0.92 C ATOM 2010 CD2 LEU A 125 123.771 -7.187 1.281 1.00 0.98 C ATOM 0 H LEU A 125 123.260 -10.665 0.394 1.00 1.10 H new ATOM 0 HA LEU A 125 123.280 -9.233 2.909 1.00 1.07 H new ATOM 0 HB2 LEU A 125 121.143 -9.345 0.726 1.00 1.02 H new ATOM 0 HB3 LEU A 125 121.324 -8.088 1.934 1.00 1.02 H new ATOM 0 HG LEU A 125 123.484 -8.816 -0.101 1.00 0.95 H new ATOM 0 HD11 LEU A 125 122.825 -6.710 -1.232 1.00 0.92 H new ATOM 0 HD12 LEU A 125 121.472 -7.865 -1.195 1.00 0.92 H new ATOM 0 HD13 LEU A 125 121.503 -6.494 -0.061 1.00 0.92 H new ATOM 0 HD21 LEU A 125 124.484 -6.669 0.639 1.00 0.98 H new ATOM 0 HD22 LEU A 125 123.159 -6.455 1.808 1.00 0.98 H new ATOM 0 HD23 LEU A 125 124.311 -7.797 2.005 1.00 0.98 H new ATOM 2022 N ARG A 126 121.334 -11.802 2.637 1.00 1.21 N ATOM 2023 CA ARG A 126 120.362 -12.639 3.397 1.00 1.31 C ATOM 2024 C ARG A 126 121.015 -13.132 4.690 1.00 1.34 C ATOM 2025 O ARG A 126 120.608 -12.775 5.777 1.00 1.38 O ATOM 2026 CB ARG A 126 119.948 -13.841 2.544 1.00 1.42 C ATOM 2027 CG ARG A 126 118.599 -14.375 3.032 1.00 1.56 C ATOM 2028 CD ARG A 126 118.208 -15.605 2.210 1.00 1.85 C ATOM 2029 NE ARG A 126 117.698 -16.670 3.119 1.00 2.10 N ATOM 2030 CZ ARG A 126 117.913 -17.927 2.838 1.00 2.57 C ATOM 2031 NH1 ARG A 126 119.120 -18.335 2.553 1.00 3.05 N ATOM 2032 NH2 ARG A 126 116.922 -18.776 2.843 1.00 3.18 N ATOM 0 H ARG A 126 121.728 -12.240 1.805 1.00 1.21 H new ATOM 0 HA ARG A 126 119.481 -12.044 3.639 1.00 1.31 H new ATOM 0 HB2 ARG A 126 119.878 -13.549 1.496 1.00 1.42 H new ATOM 0 HB3 ARG A 126 120.705 -14.623 2.607 1.00 1.42 H new ATOM 0 HG2 ARG A 126 118.660 -14.635 4.089 1.00 1.56 H new ATOM 0 HG3 ARG A 126 117.835 -13.603 2.937 1.00 1.56 H new ATOM 0 HD2 ARG A 126 117.444 -15.339 1.479 1.00 1.85 H new ATOM 0 HD3 ARG A 126 119.069 -15.971 1.651 1.00 1.85 H new ATOM 0 HE ARG A 126 117.181 -16.417 3.961 1.00 2.10 H new ATOM 0 HH11 ARG A 126 119.895 -17.672 2.550 1.00 3.05 H new ATOM 0 HH12 ARG A 126 119.288 -19.317 2.334 1.00 3.05 H new ATOM 0 HH21 ARG A 126 115.979 -18.458 3.066 1.00 3.18 H new ATOM 0 HH22 ARG A 126 117.090 -19.758 2.623 1.00 3.18 H new ATOM 2046 N LYS A 127 122.026 -13.950 4.580 1.00 1.38 N ATOM 2047 CA LYS A 127 122.704 -14.465 5.802 1.00 1.43 C ATOM 2048 C LYS A 127 123.144 -13.288 6.675 1.00 1.36 C ATOM 2049 O LYS A 127 123.186 -13.382 7.886 1.00 1.38 O ATOM 2050 CB LYS A 127 123.928 -15.286 5.396 1.00 1.51 C ATOM 2051 CG LYS A 127 124.879 -14.413 4.575 1.00 1.72 C ATOM 2052 CD LYS A 127 125.842 -15.306 3.790 1.00 2.17 C ATOM 2053 CE LYS A 127 126.700 -16.112 4.767 1.00 2.53 C ATOM 2054 NZ LYS A 127 127.895 -16.646 4.054 1.00 2.96 N ATOM 0 H LYS A 127 122.411 -14.284 3.696 1.00 1.38 H new ATOM 0 HA LYS A 127 122.014 -15.095 6.364 1.00 1.43 H new ATOM 0 HB2 LYS A 127 124.437 -15.662 6.283 1.00 1.51 H new ATOM 0 HB3 LYS A 127 123.620 -16.154 4.813 1.00 1.51 H new ATOM 0 HG2 LYS A 127 124.311 -13.782 3.891 1.00 1.72 H new ATOM 0 HG3 LYS A 127 125.438 -13.747 5.233 1.00 1.72 H new ATOM 0 HD2 LYS A 127 125.283 -15.979 3.140 1.00 2.17 H new ATOM 0 HD3 LYS A 127 126.478 -14.697 3.148 1.00 2.17 H new ATOM 0 HE2 LYS A 127 127.012 -15.482 5.600 1.00 2.53 H new ATOM 0 HE3 LYS A 127 126.118 -16.932 5.188 1.00 2.53 H new ATOM 0 HZ1 LYS A 127 128.479 -17.194 4.717 1.00 2.96 H new ATOM 0 HZ2 LYS A 127 127.588 -17.261 3.274 1.00 2.96 H new ATOM 0 HZ3 LYS A 127 128.453 -15.856 3.673 1.00 2.96 H new ATOM 2068 N SER A 128 123.472 -12.181 6.070 1.00 1.33 N ATOM 2069 CA SER A 128 123.908 -10.998 6.863 1.00 1.29 C ATOM 2070 C SER A 128 122.730 -10.480 7.690 1.00 1.25 C ATOM 2071 O SER A 128 122.845 -10.251 8.878 1.00 1.29 O ATOM 2072 CB SER A 128 124.385 -9.897 5.916 1.00 1.26 C ATOM 2073 OG SER A 128 123.371 -9.636 4.955 1.00 1.77 O ATOM 0 H SER A 128 123.457 -12.044 5.059 1.00 1.33 H new ATOM 0 HA SER A 128 124.723 -11.285 7.527 1.00 1.29 H new ATOM 0 HB2 SER A 128 124.612 -8.991 6.478 1.00 1.26 H new ATOM 0 HB3 SER A 128 125.305 -10.203 5.418 1.00 1.26 H new ATOM 0 HG SER A 128 123.301 -8.670 4.808 1.00 1.77 H new ATOM 2079 N GLU A 129 121.597 -10.294 7.071 1.00 1.23 N ATOM 2080 CA GLU A 129 120.413 -9.791 7.822 1.00 1.23 C ATOM 2081 C GLU A 129 120.131 -10.718 9.004 1.00 1.30 C ATOM 2082 O GLU A 129 119.809 -10.276 10.089 1.00 1.33 O ATOM 2083 CB GLU A 129 119.195 -9.758 6.896 1.00 1.25 C ATOM 2084 CG GLU A 129 118.135 -8.822 7.481 1.00 1.34 C ATOM 2085 CD GLU A 129 116.756 -9.473 7.362 1.00 1.75 C ATOM 2086 OE1 GLU A 129 116.698 -10.692 7.343 1.00 2.35 O ATOM 2087 OE2 GLU A 129 115.781 -8.743 7.293 1.00 2.40 O ATOM 0 H GLU A 129 121.440 -10.468 6.078 1.00 1.23 H new ATOM 0 HA GLU A 129 120.615 -8.785 8.188 1.00 1.23 H new ATOM 0 HB2 GLU A 129 119.489 -9.417 5.903 1.00 1.25 H new ATOM 0 HB3 GLU A 129 118.785 -10.761 6.780 1.00 1.25 H new ATOM 0 HG2 GLU A 129 118.359 -8.610 8.526 1.00 1.34 H new ATOM 0 HG3 GLU A 129 118.145 -7.869 6.953 1.00 1.34 H new ATOM 2094 N ALA A 130 120.251 -12.002 8.805 1.00 1.36 N ATOM 2095 CA ALA A 130 119.991 -12.954 9.920 1.00 1.44 C ATOM 2096 C ALA A 130 120.975 -12.680 11.058 1.00 1.45 C ATOM 2097 O ALA A 130 120.627 -12.733 12.221 1.00 1.49 O ATOM 2098 CB ALA A 130 120.173 -14.388 9.421 1.00 1.54 C ATOM 0 H ALA A 130 120.518 -12.432 7.919 1.00 1.36 H new ATOM 0 HA ALA A 130 118.971 -12.824 10.280 1.00 1.44 H new ATOM 0 HB1 ALA A 130 119.983 -15.084 10.238 1.00 1.54 H new ATOM 0 HB2 ALA A 130 119.473 -14.582 8.608 1.00 1.54 H new ATOM 0 HB3 ALA A 130 121.193 -14.521 9.061 1.00 1.54 H new ATOM 2104 N GLN A 131 122.200 -12.379 10.730 1.00 1.42 N ATOM 2105 CA GLN A 131 123.203 -12.092 11.793 1.00 1.45 C ATOM 2106 C GLN A 131 122.795 -10.816 12.526 1.00 1.40 C ATOM 2107 O GLN A 131 122.952 -10.698 13.725 1.00 1.44 O ATOM 2108 CB GLN A 131 124.583 -11.900 11.161 1.00 1.44 C ATOM 2109 CG GLN A 131 125.581 -11.473 12.239 1.00 1.53 C ATOM 2110 CD GLN A 131 126.909 -12.200 12.023 1.00 1.90 C ATOM 2111 OE1 GLN A 131 127.039 -12.996 11.115 1.00 2.36 O ATOM 2112 NE2 GLN A 131 127.908 -11.957 12.827 1.00 2.50 N ATOM 0 H GLN A 131 122.550 -12.319 9.774 1.00 1.42 H new ATOM 0 HA GLN A 131 123.245 -12.925 12.494 1.00 1.45 H new ATOM 0 HB2 GLN A 131 124.912 -12.827 10.692 1.00 1.44 H new ATOM 0 HB3 GLN A 131 124.534 -11.145 10.376 1.00 1.44 H new ATOM 0 HG2 GLN A 131 125.734 -10.395 12.201 1.00 1.53 H new ATOM 0 HG3 GLN A 131 125.185 -11.704 13.228 1.00 1.53 H new ATOM 0 HE21 GLN A 131 127.798 -11.288 13.589 1.00 2.50 H new ATOM 0 HE22 GLN A 131 128.799 -12.436 12.693 1.00 2.50 H new ATOM 2121 N ALA A 132 122.263 -9.862 11.813 1.00 1.32 N ATOM 2122 CA ALA A 132 121.834 -8.596 12.467 1.00 1.29 C ATOM 2123 C ALA A 132 120.700 -8.901 13.444 1.00 1.34 C ATOM 2124 O ALA A 132 120.593 -8.304 14.496 1.00 1.36 O ATOM 2125 CB ALA A 132 121.340 -7.614 11.403 1.00 1.20 C ATOM 0 H ALA A 132 122.107 -9.905 10.806 1.00 1.32 H new ATOM 0 HA ALA A 132 122.674 -8.154 13.003 1.00 1.29 H new ATOM 0 HB1 ALA A 132 121.026 -6.687 11.882 1.00 1.20 H new ATOM 0 HB2 ALA A 132 122.146 -7.404 10.699 1.00 1.20 H new ATOM 0 HB3 ALA A 132 120.496 -8.051 10.869 1.00 1.20 H new ATOM 2131 N LYS A 133 119.852 -9.834 13.103 1.00 1.40 N ATOM 2132 CA LYS A 133 118.726 -10.184 14.012 1.00 1.47 C ATOM 2133 C LYS A 133 119.291 -10.702 15.334 1.00 1.54 C ATOM 2134 O LYS A 133 118.915 -10.255 16.399 1.00 1.57 O ATOM 2135 CB LYS A 133 117.863 -11.268 13.364 1.00 1.54 C ATOM 2136 CG LYS A 133 116.491 -10.687 13.015 1.00 1.56 C ATOM 2137 CD LYS A 133 115.420 -11.764 13.192 1.00 1.87 C ATOM 2138 CE LYS A 133 114.847 -12.143 11.825 1.00 2.02 C ATOM 2139 NZ LYS A 133 113.359 -12.068 11.872 1.00 2.51 N ATOM 0 H LYS A 133 119.891 -10.368 12.235 1.00 1.40 H new ATOM 0 HA LYS A 133 118.115 -9.300 14.196 1.00 1.47 H new ATOM 0 HB2 LYS A 133 118.349 -11.646 12.465 1.00 1.54 H new ATOM 0 HB3 LYS A 133 117.750 -12.113 14.044 1.00 1.54 H new ATOM 0 HG2 LYS A 133 116.272 -9.833 13.656 1.00 1.56 H new ATOM 0 HG3 LYS A 133 116.489 -10.323 11.988 1.00 1.56 H new ATOM 0 HD2 LYS A 133 115.849 -12.642 13.675 1.00 1.87 H new ATOM 0 HD3 LYS A 133 114.626 -11.398 13.843 1.00 1.87 H new ATOM 0 HE2 LYS A 133 115.232 -11.470 11.058 1.00 2.02 H new ATOM 0 HE3 LYS A 133 115.163 -13.150 11.553 1.00 2.02 H new ATOM 0 HZ1 LYS A 133 112.969 -12.326 10.943 1.00 2.51 H new ATOM 0 HZ2 LYS A 133 113.001 -12.727 12.593 1.00 2.51 H new ATOM 0 HZ3 LYS A 133 113.068 -11.099 12.113 1.00 2.51 H new ATOM 2153 N LYS A 134 120.198 -11.639 15.275 1.00 1.58 N ATOM 2154 CA LYS A 134 120.789 -12.179 16.531 1.00 1.67 C ATOM 2155 C LYS A 134 121.658 -11.100 17.178 1.00 1.66 C ATOM 2156 O LYS A 134 121.938 -11.139 18.360 1.00 1.75 O ATOM 2157 CB LYS A 134 121.649 -13.403 16.207 1.00 1.72 C ATOM 2158 CG LYS A 134 120.856 -14.678 16.500 1.00 2.04 C ATOM 2159 CD LYS A 134 120.939 -14.999 17.993 1.00 2.41 C ATOM 2160 CE LYS A 134 119.563 -15.429 18.503 1.00 2.94 C ATOM 2161 NZ LYS A 134 119.466 -15.152 19.964 1.00 3.47 N ATOM 0 H LYS A 134 120.554 -12.053 14.413 1.00 1.58 H new ATOM 0 HA LYS A 134 119.993 -12.470 17.217 1.00 1.67 H new ATOM 0 HB2 LYS A 134 121.950 -13.382 15.159 1.00 1.72 H new ATOM 0 HB3 LYS A 134 122.563 -13.386 16.801 1.00 1.72 H new ATOM 0 HG2 LYS A 134 119.815 -14.548 16.202 1.00 2.04 H new ATOM 0 HG3 LYS A 134 121.253 -15.508 15.916 1.00 2.04 H new ATOM 0 HD2 LYS A 134 121.666 -15.793 18.165 1.00 2.41 H new ATOM 0 HD3 LYS A 134 121.285 -14.125 18.544 1.00 2.41 H new ATOM 0 HE2 LYS A 134 118.781 -14.891 17.967 1.00 2.94 H new ATOM 0 HE3 LYS A 134 119.408 -16.491 18.312 1.00 2.94 H new ATOM 0 HZ1 LYS A 134 118.530 -15.444 20.311 1.00 3.47 H new ATOM 0 HZ2 LYS A 134 120.204 -15.684 20.468 1.00 3.47 H new ATOM 0 HZ3 LYS A 134 119.596 -14.134 20.134 1.00 3.47 H new ATOM 2175 N GLU A 135 122.086 -10.136 16.410 1.00 1.58 N ATOM 2176 CA GLU A 135 122.937 -9.051 16.974 1.00 1.59 C ATOM 2177 C GLU A 135 122.047 -7.987 17.619 1.00 1.56 C ATOM 2178 O GLU A 135 122.509 -7.146 18.365 1.00 1.60 O ATOM 2179 CB GLU A 135 123.759 -8.413 15.852 1.00 1.53 C ATOM 2180 CG GLU A 135 125.215 -8.869 15.961 1.00 1.55 C ATOM 2181 CD GLU A 135 126.042 -8.201 14.860 1.00 1.69 C ATOM 2182 OE1 GLU A 135 125.477 -7.419 14.114 1.00 2.10 O ATOM 2183 OE2 GLU A 135 127.226 -8.483 14.783 1.00 2.18 O ATOM 0 H GLU A 135 121.882 -10.053 15.414 1.00 1.58 H new ATOM 0 HA GLU A 135 123.607 -9.469 17.725 1.00 1.59 H new ATOM 0 HB2 GLU A 135 123.350 -8.696 14.882 1.00 1.53 H new ATOM 0 HB3 GLU A 135 123.702 -7.327 15.918 1.00 1.53 H new ATOM 0 HG2 GLU A 135 125.616 -8.609 16.941 1.00 1.55 H new ATOM 0 HG3 GLU A 135 125.276 -9.953 15.869 1.00 1.55 H new ATOM 2190 N LYS A 136 120.774 -8.014 17.336 1.00 1.53 N ATOM 2191 CA LYS A 136 119.860 -7.000 17.932 1.00 1.52 C ATOM 2192 C LYS A 136 120.440 -5.605 17.704 1.00 1.50 C ATOM 2193 O LYS A 136 120.777 -4.901 18.635 1.00 1.54 O ATOM 2194 CB LYS A 136 119.720 -7.257 19.435 1.00 1.62 C ATOM 2195 CG LYS A 136 118.599 -8.268 19.678 1.00 1.72 C ATOM 2196 CD LYS A 136 119.200 -9.662 19.874 1.00 1.97 C ATOM 2197 CE LYS A 136 118.154 -10.587 20.499 1.00 2.23 C ATOM 2198 NZ LYS A 136 118.835 -11.762 21.112 1.00 2.71 N ATOM 0 H LYS A 136 120.328 -8.693 16.719 1.00 1.53 H new ATOM 0 HA LYS A 136 118.879 -7.070 17.462 1.00 1.52 H new ATOM 0 HB2 LYS A 136 120.659 -7.635 19.839 1.00 1.62 H new ATOM 0 HB3 LYS A 136 119.502 -6.324 19.955 1.00 1.62 H new ATOM 0 HG2 LYS A 136 118.022 -7.982 20.558 1.00 1.72 H new ATOM 0 HG3 LYS A 136 117.910 -8.273 18.833 1.00 1.72 H new ATOM 0 HD2 LYS A 136 119.531 -10.065 18.917 1.00 1.97 H new ATOM 0 HD3 LYS A 136 120.079 -9.603 20.516 1.00 1.97 H new ATOM 0 HE2 LYS A 136 117.582 -10.049 21.255 1.00 2.23 H new ATOM 0 HE3 LYS A 136 117.446 -10.919 19.740 1.00 2.23 H new ATOM 0 HZ1 LYS A 136 118.126 -12.478 21.370 1.00 2.71 H new ATOM 0 HZ2 LYS A 136 119.506 -12.169 20.430 1.00 2.71 H new ATOM 0 HZ3 LYS A 136 119.349 -11.460 21.964 1.00 2.71 H new ATOM 2212 N LEU A 137 120.568 -5.203 16.469 1.00 1.44 N ATOM 2213 CA LEU A 137 121.138 -3.857 16.184 1.00 1.43 C ATOM 2214 C LEU A 137 120.015 -2.858 15.891 1.00 1.37 C ATOM 2215 O LEU A 137 119.663 -2.619 14.753 1.00 1.33 O ATOM 2216 CB LEU A 137 122.071 -3.946 14.975 1.00 1.44 C ATOM 2217 CG LEU A 137 123.506 -3.650 15.417 1.00 1.54 C ATOM 2218 CD1 LEU A 137 123.642 -2.162 15.746 1.00 1.62 C ATOM 2219 CD2 LEU A 137 123.836 -4.478 16.661 1.00 1.97 C ATOM 0 H LEU A 137 120.303 -5.747 15.648 1.00 1.44 H new ATOM 0 HA LEU A 137 121.696 -3.516 17.056 1.00 1.43 H new ATOM 0 HB2 LEU A 137 122.014 -4.939 14.530 1.00 1.44 H new ATOM 0 HB3 LEU A 137 121.761 -3.235 14.209 1.00 1.44 H new ATOM 0 HG LEU A 137 124.195 -3.909 14.613 1.00 1.54 H new ATOM 0 HD11 LEU A 137 124.664 -1.951 16.061 1.00 1.62 H new ATOM 0 HD12 LEU A 137 123.405 -1.571 14.861 1.00 1.62 H new ATOM 0 HD13 LEU A 137 122.954 -1.903 16.550 1.00 1.62 H new ATOM 0 HD21 LEU A 137 124.858 -4.268 16.977 1.00 1.97 H new ATOM 0 HD22 LEU A 137 123.147 -4.218 17.465 1.00 1.97 H new ATOM 0 HD23 LEU A 137 123.739 -5.538 16.429 1.00 1.97 H new ATOM 2231 N ASN A 138 119.468 -2.258 16.914 1.00 1.43 N ATOM 2232 CA ASN A 138 118.384 -1.251 16.716 1.00 1.41 C ATOM 2233 C ASN A 138 117.093 -1.924 16.214 1.00 1.39 C ATOM 2234 O ASN A 138 116.402 -2.581 16.966 1.00 1.45 O ATOM 2235 CB ASN A 138 118.859 -0.191 15.715 1.00 1.36 C ATOM 2236 CG ASN A 138 120.191 0.398 16.185 1.00 1.38 C ATOM 2237 OD1 ASN A 138 120.294 0.897 17.287 1.00 1.85 O ATOM 2238 ND2 ASN A 138 121.224 0.357 15.387 1.00 1.32 N ATOM 0 H ASN A 138 119.728 -2.423 17.886 1.00 1.43 H new ATOM 0 HA ASN A 138 118.161 -0.776 17.672 1.00 1.41 H new ATOM 0 HB2 ASN A 138 118.975 -0.636 14.727 1.00 1.36 H new ATOM 0 HB3 ASN A 138 118.113 0.598 15.624 1.00 1.36 H new ATOM 0 HD21 ASN A 138 122.118 0.744 15.689 1.00 1.32 H new ATOM 0 HD22 ASN A 138 121.137 -0.062 14.461 1.00 1.32 H new ATOM 2245 N ILE A 139 116.750 -1.750 14.958 1.00 1.34 N ATOM 2246 CA ILE A 139 115.494 -2.358 14.419 1.00 1.36 C ATOM 2247 C ILE A 139 115.272 -3.754 15.003 1.00 1.42 C ATOM 2248 O ILE A 139 114.165 -4.122 15.345 1.00 1.50 O ATOM 2249 CB ILE A 139 115.597 -2.468 12.897 1.00 1.34 C ATOM 2250 CG1 ILE A 139 115.686 -1.069 12.287 1.00 1.25 C ATOM 2251 CG2 ILE A 139 114.359 -3.183 12.352 1.00 1.44 C ATOM 2252 CD1 ILE A 139 116.889 -1.005 11.345 1.00 1.18 C ATOM 0 H ILE A 139 117.290 -1.210 14.282 1.00 1.34 H new ATOM 0 HA ILE A 139 114.655 -1.721 14.698 1.00 1.36 H new ATOM 0 HB ILE A 139 116.490 -3.035 12.635 1.00 1.34 H new ATOM 0 HG12 ILE A 139 114.770 -0.838 11.743 1.00 1.25 H new ATOM 0 HG13 ILE A 139 115.786 -0.322 13.074 1.00 1.25 H new ATOM 0 HG21 ILE A 139 114.432 -3.261 11.267 1.00 1.44 H new ATOM 0 HG22 ILE A 139 114.296 -4.181 12.785 1.00 1.44 H new ATOM 0 HG23 ILE A 139 113.466 -2.616 12.615 1.00 1.44 H new ATOM 0 HD11 ILE A 139 116.956 -0.009 10.908 1.00 1.18 H new ATOM 0 HD12 ILE A 139 117.800 -1.218 11.904 1.00 1.18 H new ATOM 0 HD13 ILE A 139 116.769 -1.742 10.551 1.00 1.18 H new ATOM 2264 N TRP A 140 116.303 -4.541 15.104 1.00 1.41 N ATOM 2265 CA TRP A 140 116.133 -5.916 15.648 1.00 1.47 C ATOM 2266 C TRP A 140 116.203 -5.886 17.177 1.00 1.53 C ATOM 2267 O TRP A 140 116.873 -6.688 17.794 1.00 1.55 O ATOM 2268 CB TRP A 140 117.238 -6.812 15.090 1.00 1.47 C ATOM 2269 CG TRP A 140 117.327 -6.606 13.611 1.00 1.41 C ATOM 2270 CD1 TRP A 140 118.283 -5.885 12.981 1.00 1.35 C ATOM 2271 CD2 TRP A 140 116.437 -7.103 12.569 1.00 1.43 C ATOM 2272 NE1 TRP A 140 118.040 -5.913 11.619 1.00 1.32 N ATOM 2273 CE2 TRP A 140 116.913 -6.651 11.316 1.00 1.37 C ATOM 2274 CE3 TRP A 140 115.276 -7.897 12.589 1.00 1.51 C ATOM 2275 CZ2 TRP A 140 116.261 -6.974 10.125 1.00 1.40 C ATOM 2276 CZ3 TRP A 140 114.617 -8.224 11.392 1.00 1.54 C ATOM 2277 CH2 TRP A 140 115.109 -7.763 10.163 1.00 1.48 C ATOM 0 H TRP A 140 117.255 -4.293 14.834 1.00 1.41 H new ATOM 0 HA TRP A 140 115.160 -6.309 15.353 1.00 1.47 H new ATOM 0 HB2 TRP A 140 118.191 -6.574 15.562 1.00 1.47 H new ATOM 0 HB3 TRP A 140 117.025 -7.857 15.313 1.00 1.47 H new ATOM 0 HD1 TRP A 140 119.102 -5.371 13.463 1.00 1.35 H new ATOM 0 HE1 TRP A 140 118.622 -5.446 10.924 1.00 1.32 H new ATOM 0 HE3 TRP A 140 114.889 -8.258 13.530 1.00 1.51 H new ATOM 0 HZ2 TRP A 140 116.644 -6.616 9.181 1.00 1.40 H new ATOM 0 HZ3 TRP A 140 113.726 -8.834 11.419 1.00 1.54 H new ATOM 0 HH2 TRP A 140 114.598 -8.018 9.246 1.00 1.48 H new ATOM 2288 N SER A 141 115.506 -4.970 17.793 1.00 1.70 N ATOM 2289 CA SER A 141 115.526 -4.894 19.281 1.00 1.80 C ATOM 2290 C SER A 141 114.197 -5.409 19.833 1.00 1.84 C ATOM 2291 O SER A 141 114.080 -6.549 20.237 1.00 2.33 O ATOM 2292 CB SER A 141 115.729 -3.442 19.715 1.00 1.87 C ATOM 2293 OG SER A 141 117.117 -3.135 19.692 1.00 2.12 O ATOM 0 H SER A 141 114.924 -4.272 17.330 1.00 1.70 H new ATOM 0 HA SER A 141 116.342 -5.505 19.666 1.00 1.80 H new ATOM 0 HB2 SER A 141 115.185 -2.772 19.049 1.00 1.87 H new ATOM 0 HB3 SER A 141 115.328 -3.290 20.717 1.00 1.87 H new ATOM 0 HG SER A 141 117.373 -2.847 18.791 1.00 2.12 H new ATOM 2299 N GLU A 142 113.193 -4.578 19.849 1.00 1.85 N ATOM 2300 CA GLU A 142 111.868 -5.017 20.371 1.00 1.94 C ATOM 2301 C GLU A 142 111.137 -5.816 19.290 1.00 1.76 C ATOM 2302 O GLU A 142 111.700 -6.151 18.266 1.00 2.09 O ATOM 2303 CB GLU A 142 111.036 -3.790 20.748 1.00 2.68 C ATOM 2304 CG GLU A 142 111.278 -3.441 22.218 1.00 3.54 C ATOM 2305 CD GLU A 142 109.945 -3.437 22.968 1.00 4.39 C ATOM 2306 OE1 GLU A 142 109.202 -2.483 22.810 1.00 4.67 O ATOM 2307 OE2 GLU A 142 109.689 -4.390 23.686 1.00 5.03 O ATOM 0 H GLU A 142 113.232 -3.612 19.523 1.00 1.85 H new ATOM 0 HA GLU A 142 112.012 -5.642 21.252 1.00 1.94 H new ATOM 0 HB2 GLU A 142 111.306 -2.946 20.114 1.00 2.68 H new ATOM 0 HB3 GLU A 142 109.978 -3.990 20.580 1.00 2.68 H new ATOM 0 HG2 GLU A 142 111.958 -4.165 22.667 1.00 3.54 H new ATOM 0 HG3 GLU A 142 111.755 -2.464 22.297 1.00 3.54 H new ATOM 2314 N ASP A 143 109.888 -6.125 19.505 1.00 2.17 N ATOM 2315 CA ASP A 143 109.127 -6.901 18.484 1.00 2.78 C ATOM 2316 C ASP A 143 107.630 -6.809 18.781 1.00 3.02 C ATOM 2317 O ASP A 143 107.006 -7.770 19.184 1.00 3.34 O ATOM 2318 CB ASP A 143 109.565 -8.366 18.525 1.00 3.51 C ATOM 2319 CG ASP A 143 109.591 -8.930 17.102 1.00 4.23 C ATOM 2320 OD1 ASP A 143 108.566 -9.423 16.663 1.00 4.72 O ATOM 2321 OD2 ASP A 143 110.636 -8.858 16.477 1.00 4.69 O ATOM 0 H ASP A 143 109.362 -5.874 20.342 1.00 2.17 H new ATOM 0 HA ASP A 143 109.326 -6.489 17.495 1.00 2.78 H new ATOM 0 HB2 ASP A 143 110.553 -8.449 18.979 1.00 3.51 H new ATOM 0 HB3 ASP A 143 108.880 -8.945 19.145 1.00 3.51 H new ATOM 2326 N ASN A 144 107.046 -5.659 18.580 1.00 3.60 N ATOM 2327 CA ASN A 144 105.589 -5.507 18.847 1.00 4.45 C ATOM 2328 C ASN A 144 105.175 -4.054 18.604 1.00 4.92 C ATOM 2329 O ASN A 144 106.003 -3.171 18.505 1.00 5.44 O ATOM 2330 CB ASN A 144 105.292 -5.886 20.300 1.00 5.26 C ATOM 2331 CG ASN A 144 106.228 -5.115 21.232 1.00 5.90 C ATOM 2332 OD1 ASN A 144 107.412 -5.598 21.495 1.00 6.24 O flip ATOM 2333 ND2 ASN A 144 105.880 -4.062 21.727 1.00 6.44 N flip ATOM 0 H ASN A 144 107.516 -4.819 18.242 1.00 3.60 H new ATOM 0 HA ASN A 144 105.028 -6.162 18.180 1.00 4.45 H new ATOM 0 HB2 ASN A 144 104.254 -5.658 20.541 1.00 5.26 H new ATOM 0 HB3 ASN A 144 105.424 -6.959 20.441 1.00 5.26 H new ATOM 0 HD21 ASN A 144 104.955 -3.683 21.522 1.00 6.44 H new ATOM 0 HD22 ASN A 144 106.512 -3.556 22.347 1.00 6.44 H new ATOM 2340 N ALA A 145 103.899 -3.800 18.504 1.00 5.16 N ATOM 2341 CA ALA A 145 103.435 -2.405 18.265 1.00 5.95 C ATOM 2342 C ALA A 145 102.565 -1.950 19.438 1.00 6.16 C ATOM 2343 O ALA A 145 101.354 -1.907 19.345 1.00 6.56 O ATOM 2344 CB ALA A 145 102.618 -2.355 16.972 1.00 6.43 C ATOM 0 H ALA A 145 103.159 -4.498 18.577 1.00 5.16 H new ATOM 0 HA ALA A 145 104.297 -1.744 18.175 1.00 5.95 H new ATOM 0 HB1 ALA A 145 102.278 -1.335 16.796 1.00 6.43 H new ATOM 0 HB2 ALA A 145 103.238 -2.680 16.137 1.00 6.43 H new ATOM 0 HB3 ALA A 145 101.755 -3.015 17.061 1.00 6.43 H new ATOM 2350 N ASP A 146 103.170 -1.608 20.542 1.00 6.26 N ATOM 2351 CA ASP A 146 102.374 -1.156 21.718 1.00 6.84 C ATOM 2352 C ASP A 146 103.284 -0.406 22.693 1.00 7.35 C ATOM 2353 O ASP A 146 104.430 -0.761 22.886 1.00 7.60 O ATOM 2354 CB ASP A 146 101.766 -2.373 22.419 1.00 7.14 C ATOM 2355 CG ASP A 146 100.808 -1.904 23.515 1.00 7.57 C ATOM 2356 OD1 ASP A 146 99.838 -1.242 23.185 1.00 7.93 O ATOM 2357 OD2 ASP A 146 101.060 -2.216 24.668 1.00 7.80 O ATOM 0 H ASP A 146 104.180 -1.622 20.681 1.00 6.26 H new ATOM 0 HA ASP A 146 101.576 -0.493 21.384 1.00 6.84 H new ATOM 0 HB2 ASP A 146 101.234 -2.994 21.698 1.00 7.14 H new ATOM 0 HB3 ASP A 146 102.555 -2.990 22.850 1.00 7.14 H new ATOM 2362 N SER A 147 102.783 0.630 23.307 1.00 7.82 N ATOM 2363 CA SER A 147 103.617 1.405 24.269 1.00 8.61 C ATOM 2364 C SER A 147 104.882 1.902 23.567 1.00 9.09 C ATOM 2365 O SER A 147 105.971 1.426 23.819 1.00 9.27 O ATOM 2366 CB SER A 147 104.009 0.510 25.445 1.00 9.12 C ATOM 2367 OG SER A 147 102.888 -0.275 25.831 1.00 9.64 O ATOM 0 H SER A 147 101.831 0.974 23.184 1.00 7.82 H new ATOM 0 HA SER A 147 103.045 2.257 24.635 1.00 8.61 H new ATOM 0 HB2 SER A 147 104.841 -0.136 25.164 1.00 9.12 H new ATOM 0 HB3 SER A 147 104.347 1.119 26.283 1.00 9.12 H new ATOM 0 HG SER A 147 103.136 -0.851 26.584 1.00 9.64 H new ATOM 2373 N GLY A 148 104.750 2.858 22.689 1.00 9.55 N ATOM 2374 CA GLY A 148 105.948 3.383 21.975 1.00 10.28 C ATOM 2375 C GLY A 148 105.715 4.843 21.586 1.00 10.87 C ATOM 2376 O GLY A 148 106.054 5.268 20.499 1.00 11.30 O ATOM 0 H GLY A 148 103.865 3.298 22.435 1.00 9.55 H new ATOM 0 HA2 GLY A 148 106.828 3.302 22.613 1.00 10.28 H new ATOM 0 HA3 GLY A 148 106.144 2.786 21.084 1.00 10.28 H new ATOM 2380 N GLN A 149 105.138 5.617 22.464 1.00 11.13 N ATOM 2381 CA GLN A 149 104.884 7.049 22.143 1.00 11.91 C ATOM 2382 C GLN A 149 105.219 7.912 23.361 1.00 12.42 C ATOM 2383 O GLN A 149 106.213 7.628 24.008 1.00 12.58 O ATOM 2384 CB GLN A 149 103.410 7.236 21.776 1.00 12.16 C ATOM 2385 CG GLN A 149 103.204 6.902 20.297 1.00 12.56 C ATOM 2386 CD GLN A 149 103.823 8.003 19.434 1.00 12.95 C ATOM 2387 OE1 GLN A 149 103.574 9.172 19.649 1.00 13.09 O ATOM 2388 NE2 GLN A 149 104.626 7.676 18.459 1.00 13.32 N ATOM 2389 OXT GLN A 149 104.475 8.842 23.627 1.00 12.80 O ATOM 0 H GLN A 149 104.832 5.319 23.390 1.00 11.13 H new ATOM 0 HA GLN A 149 105.509 7.349 21.302 1.00 11.91 H new ATOM 0 HB2 GLN A 149 102.786 6.592 22.395 1.00 12.16 H new ATOM 0 HB3 GLN A 149 103.103 8.263 21.974 1.00 12.16 H new ATOM 0 HG2 GLN A 149 103.662 5.941 20.063 1.00 12.56 H new ATOM 0 HG3 GLN A 149 102.140 6.809 20.079 1.00 12.56 H new ATOM 0 HE21 GLN A 149 104.835 6.694 18.278 1.00 13.32 H new ATOM 0 HE22 GLN A 149 105.044 8.402 17.878 1.00 13.32 H new TER 2398 GLN A 149 HETATM 2399 P2 THP A 150 113.258 2.716 -2.987 1.00 1.26 P HETATM 2400 O4P THP A 150 114.328 3.542 -3.589 1.00 1.37 O HETATM 2401 O5P THP A 150 113.825 1.588 -2.215 1.00 1.64 O HETATM 2402 O6P THP A 150 112.359 3.538 -2.146 1.00 1.72 O HETATM 2403 P1 THP A 150 107.203 2.567 -4.909 1.00 1.63 P HETATM 2404 O1P THP A 150 107.986 3.768 -5.279 1.00 2.42 O HETATM 2405 O2P THP A 150 105.824 2.647 -5.440 1.00 1.69 O HETATM 2406 O3P THP A 150 107.199 2.365 -3.443 1.00 2.29 O HETATM 2407 O5' THP A 150 112.380 2.099 -4.186 1.00 1.18 O HETATM 2408 C5' THP A 150 111.116 1.485 -3.918 1.00 1.20 C HETATM 2409 C4' THP A 150 110.227 1.570 -5.163 1.00 1.26 C HETATM 2410 O4' THP A 150 110.887 1.058 -6.314 1.00 1.26 O HETATM 2411 C3' THP A 150 109.029 0.657 -4.941 1.00 1.34 C HETATM 2412 O3' THP A 150 107.916 1.289 -5.580 1.00 1.49 O HETATM 2413 C2' THP A 150 109.356 -0.689 -5.592 1.00 1.35 C HETATM 2414 C1' THP A 150 110.344 -0.217 -6.659 1.00 1.33 C HETATM 2415 N1 THP A 150 111.529 -1.089 -6.737 1.00 1.33 N HETATM 2416 C2 THP A 150 111.470 -2.167 -7.599 1.00 1.49 C HETATM 2417 O2 THP A 150 110.475 -2.406 -8.280 1.00 1.62 O HETATM 2418 N3 THP A 150 112.599 -2.963 -7.653 1.00 1.55 N HETATM 2419 C4 THP A 150 113.763 -2.776 -6.929 1.00 1.48 C HETATM 2420 O4 THP A 150 114.711 -3.548 -7.056 1.00 1.60 O HETATM 2421 C5 THP A 150 113.733 -1.625 -6.055 1.00 1.32 C HETATM 2422 C5M THP A 150 114.952 -1.300 -5.199 1.00 1.33 C HETATM 2423 C6 THP A 150 112.643 -0.834 -5.984 1.00 1.25 C HETATM 0 H5'2 THP A 150 111.260 0.443 -3.633 1.00 1.20 H new HETATM 0 H5'1 THP A 150 110.630 1.981 -3.078 1.00 1.20 H new HETATM 0 H2'2 THP A 150 109.801 -1.396 -4.892 1.00 1.35 H new HETATM 0 H2'1 THP A 150 108.477 -1.173 -6.019 1.00 1.35 H new HETATM 0 H6 THP A 150 112.649 0.025 -5.314 1.00 1.25 H new HETATM 0 H53 THP A 150 115.162 -2.137 -4.533 1.00 1.33 H new HETATM 0 H52 THP A 150 115.813 -1.124 -5.844 1.00 1.33 H new HETATM 0 H51 THP A 150 114.753 -0.406 -4.607 1.00 1.33 H new HETATM 0 H4' THP A 150 109.962 2.616 -5.317 1.00 1.26 H new HETATM 0 H3' THP A 150 108.799 0.490 -3.889 1.00 1.34 H new HETATM 0 H3 THP A 150 112.571 -3.763 -8.286 1.00 1.55 H new HETATM 0 H1' THP A 150 109.778 -0.209 -7.591 1.00 1.33 H new CONECT 2399 2400 2401 2402 2407 CONECT 2400 2399 CONECT 2401 2399 CONECT 2402 2399 CONECT 2403 2404 2405 2406 2412 CONECT 2404 2403 CONECT 2405 2403 CONECT 2406 2403 CONECT 2407 2399 2408 CONECT 2408 2407 2409 2424 2425 CONECT 2409 2408 2410 2411 2426 CONECT 2410 2409 2414 CONECT 2411 2409 2412 2413 2427 CONECT 2412 2403 2411 CONECT 2413 2411 2414 2428 2429 CONECT 2414 2410 2413 2415 2430 CONECT 2415 2414 2416 2423 CONECT 2416 2415 2417 2418 CONECT 2417 2416 CONECT 2418 2416 2419 2431 CONECT 2419 2418 2420 2421 CONECT 2420 2419 CONECT 2421 2419 2422 2423 CONECT 2422 2421 2432 2433 2434 CONECT 2423 2415 2421 2435 CONECT 2424 2408 CONECT 2425 2408 CONECT 2426 2409 CONECT 2427 2411 CONECT 2428 2413 CONECT 2429 2413 CONECT 2430 2414 CONECT 2431 2418 CONECT 2432 2422 CONECT 2433 2422 CONECT 2434 2422 CONECT 2435 2423 END