USER MOD reduce.3.24.130724 H: found=0, std=0, add=1372, rem=0, adj=49 USER MOD reduce.3.24.130724 removed 1369 hydrogens (12 hets) HEADER PROTO-ONCOGENE 27-JAN-97 1AA9 TITLE HUMAN C-HA-RAS(1-171)(DOT)GDP, NMR, MINIMIZED AVERAGE TITLE 2 STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: C-HA-RAS; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: RESIDUES 1 - 171; COMPND 5 ENGINEERED: YES; COMPND 6 OTHER_DETAILS: COMPLEXED TO GUANOSINE 5'-DIPHOSPHATE SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 GENE: HUMAN C-HA-RAS GENE; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: TG1; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PRGH; SOURCE 0 EXPRESSION_SYSTEM_GENE: HUMAN C-HA-RAS GENE KEYWDS RAS, ONCOGENE PROTEIN, GTP-BINDING PROTEIN, PROTO-ONCOGENE, KEYWDS 2 RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE, RSGI, KEYWDS 3 STRUCTURAL GENOMICS EXPDTA SOLUTION NMR AUTHOR Y.ITO,Y.YAMASAKI,Y.MUTO,G.KAWAI,S.NISHIMURA,T.MIYAZAWA, AUTHOR 2 S.YOKOYAMA,RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE AUTHOR 3 (RSGI) REVDAT 2 24-FEB-09 1AA9 1 VERSN REVDAT 1 29-JUL-97 1AA9 0 JRNL AUTH Y.ITO,K.YAMASAKI,J.IWAHARA,T.TERADA,A.KAMIYA, JRNL AUTH 2 M.SHIROUZU,Y.MUTO,G.KAWAI,S.YOKOYAMA,E.D.LAUE, JRNL AUTH 3 M.WALCHLI,T.SHIBATA,S.NISHIMURA,T.MIYAZAWA JRNL TITL REGIONAL POLYSTERISM IN THE GTP-BOUND FORM OF THE JRNL TITL 2 HUMAN C-HA-RAS PROTEIN. JRNL REF BIOCHEMISTRY V. 36 9109 1997 JRNL REFN ISSN 0006-2960 JRNL PMID 9230043 JRNL DOI 10.1021/BI970296U REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: SIMULATED ANNEALING REFINEMENT FOR REMARK 3 NMR STRUCTURE DETERMINATION. REMARK 4 REMARK 4 1AA9 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 303 REMARK 210 PH : 5.5 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 1H-1H NOESY, 1H-15N HSQC, 1H- REMARK 210 13C HSQC, HMQC-J, 3D 15N- REMARK 210 SEPARATED NOESY, 3D 13C- REMARK 210 SEPARATED NOESY, HNHB, HN(CO) REMARK 210 HB, HNCA, HN(CO)CA, HNCO, REMARK 210 HNCACB, HCACO, HCCH-COSY, HCCH REMARK 210 -TOCSY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ, 400 MHZ REMARK 210 SPECTROMETER MODEL : AMX600, ARX400 REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : FELIX 2.3, AZARA 1.0, X-PLOR REMARK 210 3.1 REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 30 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : MINIMIZED AVERAGE STRUCTURE 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: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 O ILE A 46 N GLY A 48 2.19 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 LYS A 5 93.13 -48.69 REMARK 500 ALA A 18 -42.38 -29.39 REMARK 500 ILE A 24 -80.32 -104.09 REMARK 500 PRO A 34 42.38 -79.70 REMARK 500 THR A 35 -38.18 -147.92 REMARK 500 ILE A 36 177.86 -49.13 REMARK 500 GLU A 37 123.37 -171.05 REMARK 500 LYS A 42 136.47 176.89 REMARK 500 VAL A 44 -163.31 -128.00 REMARK 500 ASP A 47 74.71 -30.03 REMARK 500 GLU A 49 -133.18 -110.74 REMARK 500 THR A 58 137.28 67.38 REMARK 500 ALA A 59 -165.59 -109.97 REMARK 500 GLN A 61 24.74 44.06 REMARK 500 GLU A 62 -97.72 -143.12 REMARK 500 GLU A 63 -57.69 -163.92 REMARK 500 TYR A 64 -106.52 -146.45 REMARK 500 ARG A 68 56.19 -90.06 REMARK 500 LYS A 88 -75.56 -39.57 REMARK 500 TYR A 96 -72.17 -63.48 REMARK 500 ILE A 100 -74.55 -54.16 REMARK 500 LYS A 101 -28.15 -37.44 REMARK 500 LYS A 104 -91.82 -53.34 REMARK 500 ASP A 105 -51.88 -162.37 REMARK 500 SER A 106 -163.88 -128.60 REMARK 500 ASP A 108 45.30 -145.27 REMARK 500 ASN A 116 -134.03 -59.28 REMARK 500 LYS A 117 70.30 -25.63 REMARK 500 ASP A 119 -77.79 -42.76 REMARK 500 LEU A 120 -173.94 -52.84 REMARK 500 ALA A 121 -107.83 -88.96 REMARK 500 ALA A 122 -173.75 46.62 REMARK 500 ARG A 123 74.34 146.43 REMARK 500 THR A 144 -157.87 -122.83 REMARK 500 SER A 145 110.07 -161.97 REMARK 500 ARG A 149 28.21 42.55 REMARK 500 VAL A 152 -35.71 -39.30 REMARK 500 ILE A 163 -74.13 -77.50 REMARK 500 LEU A 168 -61.31 -100.70 REMARK 500 LYS A 170 -73.64 -21.34 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 41 0.29 SIDE_CHAIN REMARK 500 ARG A 68 0.31 SIDE_CHAIN REMARK 500 ARG A 73 0.20 SIDE_CHAIN REMARK 500 ARG A 97 0.27 SIDE_CHAIN REMARK 500 ARG A 102 0.12 SIDE_CHAIN REMARK 500 ARG A 123 0.26 SIDE_CHAIN REMARK 500 ARG A 128 0.25 SIDE_CHAIN REMARK 500 ARG A 135 0.22 SIDE_CHAIN REMARK 500 ARG A 149 0.30 SIDE_CHAIN REMARK 500 ARG A 161 0.32 SIDE_CHAIN REMARK 500 ARG A 164 0.31 SIDE_CHAIN REMARK 500 ARG A 169 0.29 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 MG A 173 MG REMARK 620 N RES CSSEQI ATOM REMARK 620 1 SER A 17 OG REMARK 620 2 TYR A 32 O 117.1 REMARK 620 3 ASP A 33 O 139.4 80.9 REMARK 620 4 GDP A 180 O1B 109.4 74.5 110.5 REMARK 620 5 GDP A 180 O2B 58.7 89.7 161.9 51.7 REMARK 620 N 1 2 3 4 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MG A 173 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GDP A 180 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: TRT001000212.1 RELATED DB: TARGETDB DBREF 1AA9 A 1 171 UNP P01112 RASH_HUMAN 1 171 SEQRES 1 A 171 MET THR GLU TYR LYS LEU VAL VAL VAL GLY ALA GLY GLY SEQRES 2 A 171 VAL GLY LYS SER ALA LEU THR ILE GLN LEU ILE GLN ASN SEQRES 3 A 171 HIS PHE VAL ASP GLU TYR ASP PRO THR ILE GLU ASP SER SEQRES 4 A 171 TYR ARG LYS GLN VAL VAL ILE ASP GLY GLU THR CYS LEU SEQRES 5 A 171 LEU ASP ILE LEU ASP THR ALA GLY GLN GLU GLU TYR SER SEQRES 6 A 171 ALA MET ARG ASP GLN TYR MET ARG THR GLY GLU GLY PHE SEQRES 7 A 171 LEU CYS VAL PHE ALA ILE ASN ASN THR LYS SER PHE GLU SEQRES 8 A 171 ASP ILE HIS GLN TYR ARG GLU GLN ILE LYS ARG VAL LYS SEQRES 9 A 171 ASP SER ASP ASP VAL PRO MET VAL LEU VAL GLY ASN LYS SEQRES 10 A 171 CYS ASP LEU ALA ALA ARG THR VAL GLU SER ARG GLN ALA SEQRES 11 A 171 GLN ASP LEU ALA ARG SER TYR GLY ILE PRO TYR ILE GLU SEQRES 12 A 171 THR SER ALA LYS THR ARG GLN GLY VAL GLU ASP ALA PHE SEQRES 13 A 171 TYR THR LEU VAL ARG GLU ILE ARG GLN HIS LYS LEU ARG SEQRES 14 A 171 LYS LEU HET MG A 173 1 HET GDP A 180 40 HETNAM MG MAGNESIUM ION HETNAM GDP GUANOSINE-5'-DIPHOSPHATE FORMUL 2 MG MG 2+ FORMUL 3 GDP C10 H15 N5 O11 P2 HELIX 1 H1 LYS A 16 ILE A 24 1 9 HELIX 2 H2 ASP A 69 ARG A 73 1 5 HELIX 3 H3 GLU A 91 LYS A 104 1 14 HELIX 4 H4 GLU A 126 TYR A 137 1 12 HELIX 5 H5 VAL A 152 GLN A 165 1 14 SHEET 1 S1 6 SER A 39 ILE A 46 0 SHEET 2 S1 6 GLU A 49 ASP A 57 -1 O LEU A 53 N LYS A 42 SHEET 3 S1 6 THR A 2 VAL A 9 1 O LEU A 6 N LEU A 56 SHEET 4 S1 6 GLY A 77 ILE A 84 1 O LEU A 79 N VAL A 9 SHEET 5 S1 6 PRO A 110 LYS A 117 1 O VAL A 112 N CYS A 80 SHEET 6 S1 6 PRO A 140 THR A 144 1 O ILE A 142 N GLY A 115 LINK MG MG A 173 OG SER A 17 1555 1555 2.64 LINK MG MG A 173 O TYR A 32 1555 1555 3.10 LINK MG MG A 173 O ASP A 33 1555 1555 2.44 LINK MG MG A 173 O1B GDP A 180 1555 1555 2.80 LINK MG MG A 173 O2B GDP A 180 1555 1555 2.90 SITE *** AC1 4 SER A 17 TYR A 32 ASP A 33 GDP A 180 SITE *** AC2 13 GLY A 12 GLY A 13 GLY A 15 LYS A 16 SITE *** AC2 13 SER A 17 PHE A 28 ASP A 30 TYR A 32 SITE *** AC2 13 LYS A 117 SER A 145 ALA A 146 LYS A 147 SITE *** AC2 13 MG A 173 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 145 SER OG : rot 146:sc= 0.623 USER MOD Set 1.2: A 148 THR OG1 : rot 160:sc= -1.52! USER MOD Set 2.1: A 85 ASN : amide:sc= -3.12 X(o=-3.1,f=-3!) USER MOD Set 2.2: A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 94 HIS :FLIP no HD1:sc= -0.246 F(o=-1.9,f=-0.65) USER MOD Set 3.2: A 137 TYR OH : rot 165:sc= -0.407 USER MOD Set 4.1: A 86 ASN : amide:sc= -18.2! C(o=-21!,f=-29!) USER MOD Set 4.2: A 89 SER OG : rot -100:sc= -2.67! USER MOD Set 5.1: A 65 SER OG : rot 50:sc= -0.937 USER MOD Set 5.2: A 72 MET CE :methyl -156:sc= -4.72! (180deg=-4.4!) USER MOD Set 6.1: A 32 TYR OH : rot 150:sc= 0.667 USER MOD Set 6.2: A 40 TYR OH : rot -83:sc= -5.63! USER MOD Set 7.1: A 5 LYS NZ :NH3+ 156:sc= 0.332 (180deg=-0.151) USER MOD Set 7.2: A 74 THR OG1 : rot 32:sc= 0.71 USER MOD Set 8.1: A 4 TYR OH : rot 54:sc= -0.334 USER MOD Set 8.2: A 51 CYS SG : rot 23:sc= 0.352 USER MOD Single : A 1 MET CE :methyl -132:sc= -0.865 (180deg=-3.58!) USER MOD Single : A 1 MET N :NH3+ -107:sc= 0.0735 (180deg=-0.794) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -130:sc= -4.69! (180deg=-8.52!) USER MOD Single : A 17 SER OG : rot 92:sc= 1.05 USER MOD Single : A 20 THR OG1 : rot 110:sc= -4.35! USER MOD Single : A 22 GLN :FLIP amide:sc= -5.21 F(o=-5.8!,f=-5.2) USER MOD Single : A 25 GLN : amide:sc= -1.6! C(o=-1.6!,f=-4.3!) USER MOD Single : A 26 ASN : amide:sc= -1.44 K(o=-1.4,f=-2.2!) USER MOD Single : A 27 HIS :FLIP no HD1:sc= -0.184 F(o=-1.4,f=-0.18) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -0.0782 X(o=-0.078,f=-0.57) USER MOD Single : A 50 THR OG1 : rot 25:sc= -0.342! USER MOD Single : A 58 THR OG1 : rot -77:sc= -4.2! USER MOD Single : A 61 GLN :FLIP amide:sc= -0.276 F(o=-2!,f=-0.28) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl -129:sc= -6.86! (180deg=-9.47!) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 TYR OH : rot -7:sc= -6.36! USER MOD Single : A 80 CYS SG : rot 92:sc= -8.61! USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 GLN : amide:sc= -0.461 K(o=-0.46,f=-4!) USER MOD Single : A 96 TYR OH : rot -125:sc= 0.999 USER MOD Single : A 99 GLN : amide:sc= -2.55! C(o=-2.6!,f=-4.2!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 156:sc= 1.2 (180deg=1.06) USER MOD Single : A 106 SER OG : rot 180:sc= 0.216 USER MOD Single : A 111 MET CE :methyl -125:sc= -2.15 (180deg=-4.68!) USER MOD Single : A 116 ASN :FLIP amide:sc= -10.9! C(o=-12!,f=-11!) USER MOD Single : A 118 CYS SG : rot -54:sc= -0.624 USER MOD Single : A 124 THR OG1 : rot -19:sc= -3.62! USER MOD Single : A 127 SER OG : rot 180:sc= -0.21 USER MOD Single : A 129 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 131 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD Single : A 141 TYR OH : rot 168:sc= -3.48! USER MOD Single : A 144 THR OG1 : rot -150:sc= -0.369 USER MOD Single : A 147 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 157 TYR OH : rot 140:sc= -0.954 USER MOD Single : A 158 THR OG1 : rot 180:sc= 0 USER MOD Single : A 165 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 166 HIS : no HD1:sc= -8.84! C(o=-8.8!,f=-9.3!) USER MOD Single : A 167 LYS NZ :NH3+ -145:sc= -3.67! (180deg=-4.82!) USER MOD Single : A 170 LYS NZ :NH3+ -132:sc= -2.32! (180deg=-4.64!) USER MOD Single : A 180 GDP O2' : rot -163:sc= -4.29! USER MOD Single : A 180 GDP O3' : rot 96:sc= 0.222 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 129.640 14.669 -14.847 1.00 2.13 N ATOM 2 CA MET A 1 130.624 13.884 -14.049 1.00 1.42 C ATOM 3 C MET A 1 130.508 12.401 -14.404 1.00 1.16 C ATOM 4 O MET A 1 129.625 11.993 -15.134 1.00 1.52 O ATOM 5 CB MET A 1 130.340 14.070 -12.561 1.00 0.96 C ATOM 6 CG MET A 1 131.298 15.114 -11.985 1.00 1.06 C ATOM 7 SD MET A 1 130.359 16.569 -11.458 1.00 1.78 S ATOM 8 CE MET A 1 130.352 17.423 -13.053 1.00 2.41 C ATOM 0 H1 MET A 1 130.140 15.205 -15.585 1.00 2.13 H new ATOM 0 H2 MET A 1 128.958 14.022 -15.292 1.00 2.13 H new ATOM 0 H3 MET A 1 129.134 15.329 -14.222 1.00 2.13 H new ATOM 0 HA MET A 1 131.631 14.235 -14.275 1.00 1.42 H new ATOM 0 HB2 MET A 1 129.308 14.388 -12.414 1.00 0.96 H new ATOM 0 HB3 MET A 1 130.460 13.122 -12.036 1.00 0.96 H new ATOM 0 HG2 MET A 1 131.844 14.695 -11.140 1.00 1.06 H new ATOM 0 HG3 MET A 1 132.038 15.397 -12.734 1.00 1.06 H new ATOM 0 HE1 MET A 1 130.643 18.464 -12.910 1.00 2.41 H new ATOM 0 HE2 MET A 1 131.058 16.939 -13.728 1.00 2.41 H new ATOM 0 HE3 MET A 1 129.351 17.382 -13.483 1.00 2.41 H new ATOM 20 N THR A 2 131.392 11.591 -13.891 1.00 0.74 N ATOM 21 CA THR A 2 131.334 10.134 -14.195 1.00 0.55 C ATOM 22 C THR A 2 130.993 9.362 -12.927 1.00 0.46 C ATOM 23 O THR A 2 131.108 9.865 -11.830 1.00 0.48 O ATOM 24 CB THR A 2 132.679 9.674 -14.745 1.00 0.60 C ATOM 25 OG1 THR A 2 132.797 10.086 -16.100 1.00 0.75 O ATOM 26 CG2 THR A 2 132.794 8.149 -14.662 1.00 0.64 C ATOM 0 H THR A 2 132.153 11.875 -13.274 1.00 0.74 H new ATOM 0 HA THR A 2 130.563 9.947 -14.942 1.00 0.55 H new ATOM 0 HB THR A 2 133.477 10.119 -14.151 1.00 0.60 H new ATOM 0 HG1 THR A 2 133.662 9.793 -16.457 1.00 0.75 H new ATOM 0 HG21 THR A 2 133.760 7.835 -15.058 1.00 0.64 H new ATOM 0 HG22 THR A 2 132.709 7.834 -13.622 1.00 0.64 H new ATOM 0 HG23 THR A 2 131.996 7.692 -15.247 1.00 0.64 H new ATOM 34 N GLU A 3 130.569 8.144 -13.071 1.00 0.49 N ATOM 35 CA GLU A 3 130.214 7.339 -11.878 1.00 0.48 C ATOM 36 C GLU A 3 131.336 6.350 -11.587 1.00 0.49 C ATOM 37 O GLU A 3 131.865 5.704 -12.470 1.00 0.84 O ATOM 38 CB GLU A 3 128.911 6.580 -12.136 1.00 0.61 C ATOM 39 CG GLU A 3 128.406 5.971 -10.826 1.00 0.69 C ATOM 40 CD GLU A 3 127.095 5.224 -11.080 1.00 1.12 C ATOM 41 OE1 GLU A 3 126.919 4.735 -12.184 1.00 1.70 O ATOM 42 OE2 GLU A 3 126.289 5.154 -10.166 1.00 1.76 O ATOM 0 H GLU A 3 130.453 7.669 -13.966 1.00 0.49 H new ATOM 0 HA GLU A 3 130.078 7.999 -11.021 1.00 0.48 H new ATOM 0 HB2 GLU A 3 128.161 7.254 -12.549 1.00 0.61 H new ATOM 0 HB3 GLU A 3 129.075 5.795 -12.875 1.00 0.61 H new ATOM 0 HG2 GLU A 3 129.152 5.289 -10.419 1.00 0.69 H new ATOM 0 HG3 GLU A 3 128.252 6.755 -10.084 1.00 0.69 H new ATOM 49 N TYR A 4 131.693 6.233 -10.348 1.00 0.34 N ATOM 50 CA TYR A 4 132.773 5.295 -9.955 1.00 0.35 C ATOM 51 C TYR A 4 132.207 4.296 -8.952 1.00 0.37 C ATOM 52 O TYR A 4 132.432 4.391 -7.760 1.00 0.39 O ATOM 53 CB TYR A 4 133.924 6.078 -9.326 1.00 0.36 C ATOM 54 CG TYR A 4 134.649 6.819 -10.420 1.00 0.34 C ATOM 55 CD1 TYR A 4 133.998 7.845 -11.113 1.00 1.22 C ATOM 56 CD2 TYR A 4 135.959 6.465 -10.759 1.00 1.27 C ATOM 57 CE1 TYR A 4 134.656 8.518 -12.142 1.00 1.23 C ATOM 58 CE2 TYR A 4 136.621 7.143 -11.788 1.00 1.27 C ATOM 59 CZ TYR A 4 135.970 8.171 -12.482 1.00 0.36 C ATOM 60 OH TYR A 4 136.620 8.837 -13.501 1.00 0.39 O ATOM 0 H TYR A 4 131.277 6.755 -9.577 1.00 0.34 H new ATOM 0 HA TYR A 4 133.149 4.763 -10.829 1.00 0.35 H new ATOM 0 HB2 TYR A 4 133.544 6.778 -8.581 1.00 0.36 H new ATOM 0 HB3 TYR A 4 134.605 5.402 -8.810 1.00 0.36 H new ATOM 0 HD1 TYR A 4 132.986 8.116 -10.851 1.00 1.22 H new ATOM 0 HD2 TYR A 4 136.459 5.669 -10.227 1.00 1.27 H new ATOM 0 HE1 TYR A 4 134.152 9.308 -12.678 1.00 1.23 H new ATOM 0 HE2 TYR A 4 137.634 6.874 -12.047 1.00 1.27 H new ATOM 0 HH TYR A 4 136.593 9.802 -13.331 1.00 0.39 H new ATOM 70 N LYS A 5 131.459 3.345 -9.432 1.00 0.42 N ATOM 71 CA LYS A 5 130.858 2.336 -8.524 1.00 0.48 C ATOM 72 C LYS A 5 131.935 1.791 -7.587 1.00 0.45 C ATOM 73 O LYS A 5 132.638 0.852 -7.904 1.00 0.46 O ATOM 74 CB LYS A 5 130.275 1.190 -9.355 1.00 0.54 C ATOM 75 CG LYS A 5 128.757 1.147 -9.172 1.00 1.00 C ATOM 76 CD LYS A 5 128.075 1.779 -10.386 1.00 1.42 C ATOM 77 CE LYS A 5 126.604 1.361 -10.416 1.00 1.81 C ATOM 78 NZ LYS A 5 126.418 0.260 -11.403 1.00 2.50 N ATOM 0 H LYS A 5 131.238 3.224 -10.420 1.00 0.42 H new ATOM 0 HA LYS A 5 130.066 2.799 -7.936 1.00 0.48 H new ATOM 0 HB2 LYS A 5 130.521 1.328 -10.408 1.00 0.54 H new ATOM 0 HB3 LYS A 5 130.716 0.242 -9.047 1.00 0.54 H new ATOM 0 HG2 LYS A 5 128.424 0.116 -9.051 1.00 1.00 H new ATOM 0 HG3 LYS A 5 128.475 1.681 -8.265 1.00 1.00 H new ATOM 0 HD2 LYS A 5 128.155 2.865 -10.338 1.00 1.42 H new ATOM 0 HD3 LYS A 5 128.573 1.463 -11.303 1.00 1.42 H new ATOM 0 HE2 LYS A 5 126.288 1.033 -9.426 1.00 1.81 H new ATOM 0 HE3 LYS A 5 125.979 2.213 -10.684 1.00 1.81 H new ATOM 0 HZ1 LYS A 5 125.571 -0.290 -11.154 1.00 2.50 H new ATOM 0 HZ2 LYS A 5 126.303 0.663 -12.355 1.00 2.50 H new ATOM 0 HZ3 LYS A 5 127.251 -0.363 -11.389 1.00 2.50 H new ATOM 92 N LEU A 6 132.081 2.360 -6.431 1.00 0.46 N ATOM 93 CA LEU A 6 133.115 1.836 -5.512 1.00 0.47 C ATOM 94 C LEU A 6 132.526 0.714 -4.663 1.00 0.53 C ATOM 95 O LEU A 6 131.336 0.466 -4.667 1.00 1.10 O ATOM 96 CB LEU A 6 133.647 2.944 -4.604 1.00 0.50 C ATOM 97 CG LEU A 6 135.133 2.712 -4.326 1.00 0.67 C ATOM 98 CD1 LEU A 6 135.881 2.556 -5.651 1.00 1.64 C ATOM 99 CD2 LEU A 6 135.700 3.913 -3.566 1.00 1.37 C ATOM 0 H LEU A 6 131.539 3.152 -6.087 1.00 0.46 H new ATOM 0 HA LEU A 6 133.943 1.450 -6.107 1.00 0.47 H new ATOM 0 HB2 LEU A 6 133.503 3.916 -5.077 1.00 0.50 H new ATOM 0 HB3 LEU A 6 133.090 2.959 -3.667 1.00 0.50 H new ATOM 0 HG LEU A 6 135.254 1.808 -3.729 1.00 0.67 H new ATOM 0 HD11 LEU A 6 136.940 2.391 -5.454 1.00 1.64 H new ATOM 0 HD12 LEU A 6 135.477 1.705 -6.199 1.00 1.64 H new ATOM 0 HD13 LEU A 6 135.760 3.461 -6.246 1.00 1.64 H new ATOM 0 HD21 LEU A 6 136.759 3.750 -3.366 1.00 1.37 H new ATOM 0 HD22 LEU A 6 135.578 4.814 -4.167 1.00 1.37 H new ATOM 0 HD23 LEU A 6 135.167 4.031 -2.623 1.00 1.37 H new ATOM 111 N VAL A 7 133.358 0.035 -3.946 1.00 0.28 N ATOM 112 CA VAL A 7 132.901 -1.082 -3.095 1.00 0.28 C ATOM 113 C VAL A 7 133.876 -1.203 -1.922 1.00 0.26 C ATOM 114 O VAL A 7 135.069 -1.174 -2.109 1.00 0.30 O ATOM 115 CB VAL A 7 132.889 -2.377 -3.922 1.00 0.29 C ATOM 116 CG1 VAL A 7 133.911 -2.283 -5.057 1.00 0.29 C ATOM 117 CG2 VAL A 7 133.190 -3.570 -3.012 1.00 0.30 C ATOM 0 H VAL A 7 134.362 0.211 -3.913 1.00 0.28 H new ATOM 0 HA VAL A 7 131.893 -0.904 -2.721 1.00 0.28 H new ATOM 0 HB VAL A 7 131.903 -2.518 -4.364 1.00 0.29 H new ATOM 0 HG11 VAL A 7 133.896 -3.205 -5.638 1.00 0.29 H new ATOM 0 HG12 VAL A 7 133.660 -1.442 -5.704 1.00 0.29 H new ATOM 0 HG13 VAL A 7 134.907 -2.134 -4.639 1.00 0.29 H new ATOM 0 HG21 VAL A 7 133.181 -4.488 -3.600 1.00 0.30 H new ATOM 0 HG22 VAL A 7 134.171 -3.441 -2.556 1.00 0.30 H new ATOM 0 HG23 VAL A 7 132.432 -3.632 -2.231 1.00 0.30 H new ATOM 127 N VAL A 8 133.393 -1.339 -0.723 1.00 0.26 N ATOM 128 CA VAL A 8 134.332 -1.458 0.427 1.00 0.26 C ATOM 129 C VAL A 8 134.539 -2.937 0.766 1.00 0.26 C ATOM 130 O VAL A 8 133.678 -3.760 0.541 1.00 0.36 O ATOM 131 CB VAL A 8 133.761 -0.715 1.635 1.00 0.30 C ATOM 132 CG1 VAL A 8 134.864 -0.514 2.675 1.00 0.38 C ATOM 133 CG2 VAL A 8 133.235 0.651 1.188 1.00 0.39 C ATOM 0 H VAL A 8 132.401 -1.373 -0.488 1.00 0.26 H new ATOM 0 HA VAL A 8 135.293 -1.016 0.162 1.00 0.26 H new ATOM 0 HB VAL A 8 132.948 -1.297 2.070 1.00 0.30 H new ATOM 0 HG11 VAL A 8 134.459 0.016 3.537 1.00 0.38 H new ATOM 0 HG12 VAL A 8 135.246 -1.484 2.992 1.00 0.38 H new ATOM 0 HG13 VAL A 8 135.674 0.070 2.238 1.00 0.38 H new ATOM 0 HG21 VAL A 8 132.827 1.183 2.048 1.00 0.39 H new ATOM 0 HG22 VAL A 8 134.050 1.231 0.756 1.00 0.39 H new ATOM 0 HG23 VAL A 8 132.452 0.513 0.442 1.00 0.39 H new ATOM 143 N VAL A 9 135.678 -3.286 1.296 1.00 0.28 N ATOM 144 CA VAL A 9 135.929 -4.715 1.637 1.00 0.29 C ATOM 145 C VAL A 9 136.754 -4.795 2.927 1.00 0.27 C ATOM 146 O VAL A 9 137.098 -3.791 3.519 1.00 0.36 O ATOM 147 CB VAL A 9 136.662 -5.409 0.472 1.00 0.34 C ATOM 148 CG1 VAL A 9 136.375 -4.670 -0.837 1.00 1.01 C ATOM 149 CG2 VAL A 9 138.167 -5.413 0.722 1.00 0.95 C ATOM 0 H VAL A 9 136.444 -2.646 1.507 1.00 0.28 H new ATOM 0 HA VAL A 9 134.980 -5.227 1.798 1.00 0.29 H new ATOM 0 HB VAL A 9 136.305 -6.436 0.401 1.00 0.34 H new ATOM 0 HG11 VAL A 9 136.896 -5.165 -1.656 1.00 1.01 H new ATOM 0 HG12 VAL A 9 135.303 -4.678 -1.032 1.00 1.01 H new ATOM 0 HG13 VAL A 9 136.722 -3.640 -0.757 1.00 1.01 H new ATOM 0 HG21 VAL A 9 138.672 -5.906 -0.108 1.00 0.95 H new ATOM 0 HG22 VAL A 9 138.525 -4.387 0.807 1.00 0.95 H new ATOM 0 HG23 VAL A 9 138.381 -5.949 1.647 1.00 0.95 H new ATOM 159 N GLY A 10 137.077 -5.982 3.358 1.00 0.24 N ATOM 160 CA GLY A 10 137.886 -6.123 4.604 1.00 0.23 C ATOM 161 C GLY A 10 136.971 -6.418 5.798 1.00 0.29 C ATOM 162 O GLY A 10 135.768 -6.523 5.664 1.00 0.38 O ATOM 0 H GLY A 10 136.818 -6.858 2.905 1.00 0.24 H new ATOM 0 HA2 GLY A 10 138.612 -6.927 4.486 1.00 0.23 H new ATOM 0 HA3 GLY A 10 138.450 -5.208 4.786 1.00 0.23 H new ATOM 166 N ALA A 11 137.541 -6.557 6.966 1.00 0.35 N ATOM 167 CA ALA A 11 136.723 -6.852 8.182 1.00 0.47 C ATOM 168 C ALA A 11 135.834 -5.668 8.526 1.00 0.66 C ATOM 169 O ALA A 11 136.045 -4.561 8.077 1.00 1.63 O ATOM 170 CB ALA A 11 137.645 -7.080 9.382 1.00 0.34 C ATOM 0 H ALA A 11 138.544 -6.479 7.132 1.00 0.35 H new ATOM 0 HA ALA A 11 136.120 -7.735 7.972 1.00 0.47 H new ATOM 0 HB1 ALA A 11 137.045 -7.295 10.266 1.00 0.34 H new ATOM 0 HB2 ALA A 11 138.306 -7.923 9.178 1.00 0.34 H new ATOM 0 HB3 ALA A 11 138.242 -6.185 9.557 1.00 0.34 H new ATOM 176 N GLY A 12 134.881 -5.895 9.381 1.00 0.70 N ATOM 177 CA GLY A 12 134.001 -4.791 9.845 1.00 0.66 C ATOM 178 C GLY A 12 134.580 -4.289 11.168 1.00 0.62 C ATOM 179 O GLY A 12 134.182 -3.272 11.700 1.00 0.91 O ATOM 0 H GLY A 12 134.672 -6.809 9.783 1.00 0.70 H new ATOM 0 HA2 GLY A 12 133.968 -3.988 9.109 1.00 0.66 H new ATOM 0 HA3 GLY A 12 132.978 -5.143 9.980 1.00 0.66 H new ATOM 183 N GLY A 13 135.537 -5.016 11.691 1.00 0.45 N ATOM 184 CA GLY A 13 136.189 -4.634 12.967 1.00 0.45 C ATOM 185 C GLY A 13 137.212 -3.525 12.710 1.00 0.39 C ATOM 186 O GLY A 13 137.778 -2.957 13.623 1.00 0.41 O ATOM 0 H GLY A 13 135.896 -5.874 11.273 1.00 0.45 H new ATOM 0 HA2 GLY A 13 135.440 -4.293 13.682 1.00 0.45 H new ATOM 0 HA3 GLY A 13 136.681 -5.500 13.409 1.00 0.45 H new ATOM 190 N VAL A 14 137.467 -3.241 11.467 1.00 0.34 N ATOM 191 CA VAL A 14 138.472 -2.200 11.110 1.00 0.30 C ATOM 192 C VAL A 14 137.817 -0.819 10.983 1.00 0.31 C ATOM 193 O VAL A 14 138.367 0.176 11.411 1.00 0.35 O ATOM 194 CB VAL A 14 139.104 -2.596 9.773 1.00 0.28 C ATOM 195 CG1 VAL A 14 139.764 -3.951 9.898 1.00 0.34 C ATOM 196 CG2 VAL A 14 138.013 -2.682 8.701 1.00 0.29 C ATOM 0 H VAL A 14 137.017 -3.691 10.670 1.00 0.34 H new ATOM 0 HA VAL A 14 139.226 -2.138 11.895 1.00 0.30 H new ATOM 0 HB VAL A 14 139.847 -1.848 9.497 1.00 0.28 H new ATOM 0 HG11 VAL A 14 140.212 -4.227 8.943 1.00 0.34 H new ATOM 0 HG12 VAL A 14 140.539 -3.909 10.664 1.00 0.34 H new ATOM 0 HG13 VAL A 14 139.018 -4.695 10.177 1.00 0.34 H new ATOM 0 HG21 VAL A 14 138.461 -2.964 7.748 1.00 0.29 H new ATOM 0 HG22 VAL A 14 137.276 -3.431 8.991 1.00 0.29 H new ATOM 0 HG23 VAL A 14 137.525 -1.713 8.600 1.00 0.29 H new ATOM 206 N GLY A 15 136.663 -0.741 10.387 1.00 0.33 N ATOM 207 CA GLY A 15 135.999 0.586 10.222 1.00 0.37 C ATOM 208 C GLY A 15 135.556 0.727 8.768 1.00 0.46 C ATOM 209 O GLY A 15 135.707 1.763 8.151 1.00 1.07 O ATOM 0 H GLY A 15 136.149 -1.535 10.006 1.00 0.33 H new ATOM 0 HA2 GLY A 15 135.141 0.666 10.889 1.00 0.37 H new ATOM 0 HA3 GLY A 15 136.686 1.389 10.489 1.00 0.37 H new ATOM 213 N LYS A 16 135.025 -0.326 8.220 1.00 0.41 N ATOM 214 CA LYS A 16 134.575 -0.306 6.802 1.00 0.33 C ATOM 215 C LYS A 16 133.638 0.877 6.546 1.00 0.28 C ATOM 216 O LYS A 16 133.858 1.682 5.660 1.00 0.33 O ATOM 217 CB LYS A 16 133.835 -1.614 6.516 1.00 0.43 C ATOM 218 CG LYS A 16 134.057 -2.039 5.066 1.00 0.46 C ATOM 219 CD LYS A 16 134.131 -3.566 4.999 1.00 0.69 C ATOM 220 CE LYS A 16 132.902 -4.172 5.685 1.00 0.81 C ATOM 221 NZ LYS A 16 133.225 -4.504 7.096 1.00 1.41 N ATOM 0 H LYS A 16 134.881 -1.214 8.701 1.00 0.41 H new ATOM 0 HA LYS A 16 135.441 -0.202 6.148 1.00 0.33 H new ATOM 0 HB2 LYS A 16 134.188 -2.395 7.190 1.00 0.43 H new ATOM 0 HB3 LYS A 16 132.769 -1.487 6.706 1.00 0.43 H new ATOM 0 HG2 LYS A 16 133.244 -1.674 4.438 1.00 0.46 H new ATOM 0 HG3 LYS A 16 134.978 -1.600 4.682 1.00 0.46 H new ATOM 0 HD2 LYS A 16 134.178 -3.892 3.960 1.00 0.69 H new ATOM 0 HD3 LYS A 16 135.041 -3.918 5.485 1.00 0.69 H new ATOM 0 HE2 LYS A 16 132.070 -3.468 5.649 1.00 0.81 H new ATOM 0 HE3 LYS A 16 132.584 -5.069 5.154 1.00 0.81 H new ATOM 0 HZ1 LYS A 16 132.934 -5.482 7.298 1.00 1.41 H new ATOM 0 HZ2 LYS A 16 134.249 -4.409 7.249 1.00 1.41 H new ATOM 0 HZ3 LYS A 16 132.718 -3.854 7.730 1.00 1.41 H new ATOM 235 N SER A 17 132.584 0.978 7.305 1.00 0.33 N ATOM 236 CA SER A 17 131.616 2.091 7.099 1.00 0.36 C ATOM 237 C SER A 17 132.282 3.445 7.362 1.00 0.30 C ATOM 238 O SER A 17 132.476 4.225 6.456 1.00 0.39 O ATOM 239 CB SER A 17 130.434 1.918 8.054 1.00 0.48 C ATOM 240 OG SER A 17 130.087 0.542 8.125 1.00 1.31 O ATOM 0 H SER A 17 132.350 0.336 8.062 1.00 0.33 H new ATOM 0 HA SER A 17 131.271 2.065 6.065 1.00 0.36 H new ATOM 0 HB2 SER A 17 130.694 2.291 9.045 1.00 0.48 H new ATOM 0 HB3 SER A 17 129.582 2.503 7.707 1.00 0.48 H new ATOM 0 HG SER A 17 130.573 0.120 8.864 1.00 1.31 H new ATOM 246 N ALA A 18 132.601 3.733 8.598 1.00 0.32 N ATOM 247 CA ALA A 18 133.220 5.052 8.950 1.00 0.32 C ATOM 248 C ALA A 18 134.047 5.621 7.790 1.00 0.29 C ATOM 249 O ALA A 18 133.978 6.798 7.503 1.00 0.38 O ATOM 250 CB ALA A 18 134.109 4.889 10.177 1.00 0.35 C ATOM 0 H ALA A 18 132.458 3.105 9.389 1.00 0.32 H new ATOM 0 HA ALA A 18 132.413 5.753 9.162 1.00 0.32 H new ATOM 0 HB1 ALA A 18 134.558 5.849 10.431 1.00 0.35 H new ATOM 0 HB2 ALA A 18 133.510 4.535 11.016 1.00 0.35 H new ATOM 0 HB3 ALA A 18 134.896 4.166 9.963 1.00 0.35 H new ATOM 256 N LEU A 19 134.819 4.817 7.109 1.00 0.24 N ATOM 257 CA LEU A 19 135.611 5.367 5.972 1.00 0.24 C ATOM 258 C LEU A 19 134.656 5.759 4.844 1.00 0.24 C ATOM 259 O LEU A 19 134.673 6.877 4.368 1.00 0.30 O ATOM 260 CB LEU A 19 136.619 4.328 5.478 1.00 0.26 C ATOM 261 CG LEU A 19 137.943 4.527 6.221 1.00 0.34 C ATOM 262 CD1 LEU A 19 138.791 3.262 6.120 1.00 0.65 C ATOM 263 CD2 LEU A 19 138.706 5.701 5.601 1.00 0.35 C ATOM 0 H LEU A 19 134.935 3.819 7.287 1.00 0.24 H new ATOM 0 HA LEU A 19 136.163 6.247 6.303 1.00 0.24 H new ATOM 0 HB2 LEU A 19 136.238 3.322 5.651 1.00 0.26 H new ATOM 0 HB3 LEU A 19 136.771 4.431 4.404 1.00 0.26 H new ATOM 0 HG LEU A 19 137.735 4.738 7.270 1.00 0.34 H new ATOM 0 HD11 LEU A 19 139.731 3.411 6.651 1.00 0.65 H new ATOM 0 HD12 LEU A 19 138.252 2.426 6.565 1.00 0.65 H new ATOM 0 HD13 LEU A 19 138.997 3.044 5.072 1.00 0.65 H new ATOM 0 HD21 LEU A 19 139.648 5.842 6.130 1.00 0.35 H new ATOM 0 HD22 LEU A 19 138.908 5.490 4.551 1.00 0.35 H new ATOM 0 HD23 LEU A 19 138.106 6.607 5.680 1.00 0.35 H new ATOM 275 N THR A 20 133.804 4.862 4.427 1.00 0.22 N ATOM 276 CA THR A 20 132.835 5.212 3.350 1.00 0.27 C ATOM 277 C THR A 20 131.989 6.392 3.834 1.00 0.29 C ATOM 278 O THR A 20 132.046 7.478 3.292 1.00 0.61 O ATOM 279 CB THR A 20 131.930 4.011 3.069 1.00 0.32 C ATOM 280 OG1 THR A 20 132.724 2.908 2.656 1.00 0.36 O ATOM 281 CG2 THR A 20 130.934 4.367 1.965 1.00 0.41 C ATOM 0 H THR A 20 133.737 3.908 4.783 1.00 0.22 H new ATOM 0 HA THR A 20 133.364 5.478 2.435 1.00 0.27 H new ATOM 0 HB THR A 20 131.385 3.747 3.975 1.00 0.32 H new ATOM 0 HG1 THR A 20 132.727 2.225 3.359 1.00 0.36 H new ATOM 0 HG21 THR A 20 130.290 3.510 1.766 1.00 0.41 H new ATOM 0 HG22 THR A 20 130.325 5.213 2.284 1.00 0.41 H new ATOM 0 HG23 THR A 20 131.476 4.632 1.057 1.00 0.41 H new ATOM 289 N ILE A 21 131.219 6.173 4.866 1.00 0.33 N ATOM 290 CA ILE A 21 130.364 7.251 5.442 1.00 0.34 C ATOM 291 C ILE A 21 131.097 8.603 5.356 1.00 0.33 C ATOM 292 O ILE A 21 130.642 9.527 4.712 1.00 0.48 O ATOM 293 CB ILE A 21 130.080 6.896 6.915 1.00 0.41 C ATOM 294 CG1 ILE A 21 128.855 5.983 7.001 1.00 0.66 C ATOM 295 CG2 ILE A 21 129.809 8.159 7.729 1.00 0.35 C ATOM 296 CD1 ILE A 21 129.247 4.554 6.625 1.00 0.90 C ATOM 0 H ILE A 21 131.145 5.274 5.343 1.00 0.33 H new ATOM 0 HA ILE A 21 129.429 7.332 4.887 1.00 0.34 H new ATOM 0 HB ILE A 21 130.956 6.388 7.319 1.00 0.41 H new ATOM 0 HG12 ILE A 21 128.445 6.004 8.011 1.00 0.66 H new ATOM 0 HG13 ILE A 21 128.074 6.344 6.332 1.00 0.66 H new ATOM 0 HG21 ILE A 21 129.611 7.888 8.766 1.00 0.35 H new ATOM 0 HG22 ILE A 21 130.679 8.814 7.685 1.00 0.35 H new ATOM 0 HG23 ILE A 21 128.943 8.678 7.318 1.00 0.35 H new ATOM 0 HD11 ILE A 21 128.371 3.908 6.688 1.00 0.90 H new ATOM 0 HD12 ILE A 21 129.636 4.539 5.607 1.00 0.90 H new ATOM 0 HD13 ILE A 21 130.013 4.194 7.312 1.00 0.90 H new ATOM 308 N GLN A 22 132.218 8.720 6.016 1.00 0.41 N ATOM 309 CA GLN A 22 132.983 10.004 5.996 1.00 0.43 C ATOM 310 C GLN A 22 133.080 10.551 4.584 1.00 0.41 C ATOM 311 O GLN A 22 132.590 11.615 4.271 1.00 0.44 O ATOM 312 CB GLN A 22 134.415 9.760 6.458 1.00 0.49 C ATOM 313 CG GLN A 22 134.722 10.626 7.681 1.00 0.90 C ATOM 314 CD GLN A 22 134.431 12.092 7.353 1.00 1.50 C ATOM 315 OE1 GLN A 22 135.114 12.684 6.411 1.00 2.17 O flip ATOM 316 NE2 GLN A 22 133.575 12.704 7.959 1.00 2.33 N flip ATOM 0 H GLN A 22 132.641 7.977 6.572 1.00 0.41 H new ATOM 0 HA GLN A 22 132.461 10.704 6.648 1.00 0.43 H new ATOM 0 HB2 GLN A 22 134.553 8.707 6.703 1.00 0.49 H new ATOM 0 HB3 GLN A 22 135.111 9.993 5.652 1.00 0.49 H new ATOM 0 HG2 GLN A 22 134.117 10.305 8.529 1.00 0.90 H new ATOM 0 HG3 GLN A 22 135.766 10.507 7.971 1.00 0.90 H new ATOM 0 HE21 GLN A 22 133.042 12.241 8.695 1.00 2.33 H new ATOM 0 HE22 GLN A 22 133.389 13.681 7.732 1.00 2.33 H new ATOM 325 N LEU A 23 133.776 9.849 3.747 1.00 0.38 N ATOM 326 CA LEU A 23 133.982 10.331 2.367 1.00 0.41 C ATOM 327 C LEU A 23 132.651 10.798 1.753 1.00 0.42 C ATOM 328 O LEU A 23 132.624 11.663 0.901 1.00 0.53 O ATOM 329 CB LEU A 23 134.589 9.205 1.529 1.00 0.42 C ATOM 330 CG LEU A 23 134.694 9.637 0.067 1.00 0.76 C ATOM 331 CD1 LEU A 23 136.075 10.244 -0.189 1.00 1.21 C ATOM 332 CD2 LEU A 23 134.502 8.414 -0.832 1.00 0.96 C ATOM 0 H LEU A 23 134.214 8.954 3.963 1.00 0.38 H new ATOM 0 HA LEU A 23 134.663 11.182 2.381 1.00 0.41 H new ATOM 0 HB2 LEU A 23 135.576 8.948 1.912 1.00 0.42 H new ATOM 0 HB3 LEU A 23 133.973 8.309 1.608 1.00 0.42 H new ATOM 0 HG LEU A 23 133.927 10.380 -0.152 1.00 0.76 H new ATOM 0 HD11 LEU A 23 136.149 10.552 -1.232 1.00 1.21 H new ATOM 0 HD12 LEU A 23 136.217 11.111 0.456 1.00 1.21 H new ATOM 0 HD13 LEU A 23 136.844 9.502 0.026 1.00 1.21 H new ATOM 0 HD21 LEU A 23 134.576 8.715 -1.877 1.00 0.96 H new ATOM 0 HD22 LEU A 23 135.273 7.676 -0.612 1.00 0.96 H new ATOM 0 HD23 LEU A 23 133.520 7.978 -0.649 1.00 0.96 H new ATOM 344 N ILE A 24 131.551 10.231 2.174 1.00 0.39 N ATOM 345 CA ILE A 24 130.227 10.641 1.607 1.00 0.43 C ATOM 346 C ILE A 24 129.478 11.528 2.607 1.00 0.46 C ATOM 347 O ILE A 24 129.466 12.738 2.490 1.00 0.53 O ATOM 348 CB ILE A 24 129.395 9.397 1.322 1.00 0.45 C ATOM 349 CG1 ILE A 24 130.121 8.538 0.277 1.00 0.47 C ATOM 350 CG2 ILE A 24 128.022 9.827 0.802 1.00 0.52 C ATOM 351 CD1 ILE A 24 129.784 9.021 -1.138 1.00 0.59 C ATOM 0 H ILE A 24 131.510 9.502 2.886 1.00 0.39 H new ATOM 0 HA ILE A 24 130.392 11.199 0.685 1.00 0.43 H new ATOM 0 HB ILE A 24 129.262 8.810 2.231 1.00 0.45 H new ATOM 0 HG12 ILE A 24 131.198 8.589 0.439 1.00 0.47 H new ATOM 0 HG13 ILE A 24 129.831 7.493 0.390 1.00 0.47 H new ATOM 0 HG21 ILE A 24 127.418 8.943 0.595 1.00 0.52 H new ATOM 0 HG22 ILE A 24 127.524 10.439 1.554 1.00 0.52 H new ATOM 0 HG23 ILE A 24 128.145 10.406 -0.114 1.00 0.52 H new ATOM 0 HD11 ILE A 24 130.306 8.402 -1.868 1.00 0.59 H new ATOM 0 HD12 ILE A 24 128.709 8.946 -1.302 1.00 0.59 H new ATOM 0 HD13 ILE A 24 130.097 10.059 -1.252 1.00 0.59 H new ATOM 363 N GLN A 25 128.846 10.936 3.588 1.00 0.47 N ATOM 364 CA GLN A 25 128.092 11.745 4.592 1.00 0.53 C ATOM 365 C GLN A 25 128.953 12.924 5.051 1.00 0.54 C ATOM 366 O GLN A 25 128.450 13.931 5.504 1.00 0.64 O ATOM 367 CB GLN A 25 127.745 10.869 5.798 1.00 0.58 C ATOM 368 CG GLN A 25 126.718 9.812 5.387 1.00 1.39 C ATOM 369 CD GLN A 25 125.438 10.498 4.905 1.00 1.63 C ATOM 370 OE1 GLN A 25 125.293 11.698 5.029 1.00 2.03 O ATOM 371 NE2 GLN A 25 124.496 9.781 4.355 1.00 2.15 N ATOM 0 H GLN A 25 128.820 9.927 3.737 1.00 0.47 H new ATOM 0 HA GLN A 25 127.175 12.120 4.138 1.00 0.53 H new ATOM 0 HB2 GLN A 25 128.645 10.387 6.181 1.00 0.58 H new ATOM 0 HB3 GLN A 25 127.346 11.484 6.604 1.00 0.58 H new ATOM 0 HG2 GLN A 25 127.126 9.183 4.595 1.00 1.39 H new ATOM 0 HG3 GLN A 25 126.496 9.159 6.231 1.00 1.39 H new ATOM 0 HE21 GLN A 25 124.617 8.774 4.251 1.00 2.15 H new ATOM 0 HE22 GLN A 25 123.639 10.228 4.030 1.00 2.15 H new ATOM 380 N ASN A 26 130.246 12.798 4.932 1.00 0.49 N ATOM 381 CA ASN A 26 131.161 13.897 5.349 1.00 0.58 C ATOM 382 C ASN A 26 131.153 14.037 6.869 1.00 0.59 C ATOM 383 O ASN A 26 131.760 14.934 7.421 1.00 0.77 O ATOM 384 CB ASN A 26 130.705 15.198 4.719 1.00 0.69 C ATOM 385 CG ASN A 26 131.732 16.296 4.999 1.00 0.95 C ATOM 386 OD1 ASN A 26 131.704 16.918 6.042 1.00 1.60 O ATOM 387 ND2 ASN A 26 132.644 16.565 4.105 1.00 1.50 N ATOM 0 H ASN A 26 130.712 11.971 4.559 1.00 0.49 H new ATOM 0 HA ASN A 26 132.173 13.664 5.019 1.00 0.58 H new ATOM 0 HB2 ASN A 26 130.581 15.068 3.644 1.00 0.69 H new ATOM 0 HB3 ASN A 26 129.733 15.486 5.119 1.00 0.69 H new ATOM 0 HD21 ASN A 26 133.332 17.297 4.283 1.00 1.50 H new ATOM 0 HD22 ASN A 26 132.669 16.043 3.229 1.00 1.50 H new ATOM 394 N HIS A 27 130.473 13.162 7.556 1.00 0.57 N ATOM 395 CA HIS A 27 130.437 13.260 9.040 1.00 0.63 C ATOM 396 C HIS A 27 130.757 11.897 9.655 1.00 0.67 C ATOM 397 O HIS A 27 130.771 10.888 8.980 1.00 1.56 O ATOM 398 CB HIS A 27 129.048 13.706 9.489 1.00 0.69 C ATOM 399 CG HIS A 27 129.147 14.360 10.839 1.00 0.86 C ATOM 400 ND1 HIS A 27 130.208 14.907 11.517 1.00 1.59 N flip ATOM 401 CD2 HIS A 27 128.048 14.512 11.670 1.00 1.32 C flip ATOM 402 CE1 HIS A 27 129.778 15.391 12.749 1.00 1.49 C flip ATOM 403 NE2 HIS A 27 128.469 15.128 12.790 1.00 1.20 N flip ATOM 0 H HIS A 27 129.943 12.387 7.156 1.00 0.57 H new ATOM 0 HA HIS A 27 131.178 13.988 9.370 1.00 0.63 H new ATOM 0 HB2 HIS A 27 128.626 14.403 8.765 1.00 0.69 H new ATOM 0 HB3 HIS A 27 128.376 12.849 9.536 1.00 0.69 H new ATOM 0 HD2 HIS A 27 127.038 14.194 11.457 1.00 1.32 H new ATOM 0 HE1 HIS A 27 130.374 15.875 13.508 1.00 1.49 H new ATOM 0 HE2 HIS A 27 127.862 15.365 13.575 1.00 1.20 H new ATOM 411 N PHE A 28 131.010 11.859 10.935 1.00 0.87 N ATOM 412 CA PHE A 28 131.324 10.561 11.593 1.00 0.79 C ATOM 413 C PHE A 28 130.078 10.046 12.315 1.00 0.78 C ATOM 414 O PHE A 28 129.314 10.807 12.874 1.00 0.95 O ATOM 415 CB PHE A 28 132.453 10.756 12.608 1.00 0.81 C ATOM 416 CG PHE A 28 133.210 9.459 12.774 1.00 0.67 C ATOM 417 CD1 PHE A 28 132.580 8.347 13.347 1.00 1.32 C ATOM 418 CD2 PHE A 28 134.542 9.368 12.353 1.00 1.41 C ATOM 419 CE1 PHE A 28 133.283 7.145 13.498 1.00 1.34 C ATOM 420 CE2 PHE A 28 135.244 8.166 12.505 1.00 1.40 C ATOM 421 CZ PHE A 28 134.614 7.055 13.077 1.00 0.68 C ATOM 0 H PHE A 28 131.013 12.671 11.552 1.00 0.87 H new ATOM 0 HA PHE A 28 131.638 9.840 10.838 1.00 0.79 H new ATOM 0 HB2 PHE A 28 133.128 11.543 12.271 1.00 0.81 H new ATOM 0 HB3 PHE A 28 132.044 11.076 13.566 1.00 0.81 H new ATOM 0 HD1 PHE A 28 131.552 8.416 13.672 1.00 1.32 H new ATOM 0 HD2 PHE A 28 135.028 10.225 11.911 1.00 1.41 H new ATOM 0 HE1 PHE A 28 132.797 6.287 13.940 1.00 1.34 H new ATOM 0 HE2 PHE A 28 136.272 8.096 12.181 1.00 1.40 H new ATOM 0 HZ PHE A 28 135.156 6.128 13.193 1.00 0.68 H new ATOM 431 N VAL A 29 129.868 8.759 12.307 1.00 0.82 N ATOM 432 CA VAL A 29 128.673 8.197 12.995 1.00 0.87 C ATOM 433 C VAL A 29 129.125 7.196 14.061 1.00 0.96 C ATOM 434 O VAL A 29 128.487 7.033 15.082 1.00 1.83 O ATOM 435 CB VAL A 29 127.783 7.487 11.972 1.00 0.92 C ATOM 436 CG1 VAL A 29 128.595 6.411 11.248 1.00 1.23 C ATOM 437 CG2 VAL A 29 126.601 6.834 12.693 1.00 1.35 C ATOM 0 H VAL A 29 130.472 8.073 11.854 1.00 0.82 H new ATOM 0 HA VAL A 29 128.111 9.003 13.467 1.00 0.87 H new ATOM 0 HB VAL A 29 127.413 8.212 11.247 1.00 0.92 H new ATOM 0 HG11 VAL A 29 127.961 5.905 10.520 1.00 1.23 H new ATOM 0 HG12 VAL A 29 129.438 6.875 10.736 1.00 1.23 H new ATOM 0 HG13 VAL A 29 128.965 5.685 11.972 1.00 1.23 H new ATOM 0 HG21 VAL A 29 125.966 6.328 11.966 1.00 1.35 H new ATOM 0 HG22 VAL A 29 126.972 6.109 13.417 1.00 1.35 H new ATOM 0 HG23 VAL A 29 126.022 7.599 13.210 1.00 1.35 H new ATOM 447 N ASP A 30 130.222 6.526 13.827 1.00 0.61 N ATOM 448 CA ASP A 30 130.726 5.531 14.819 1.00 0.58 C ATOM 449 C ASP A 30 129.558 4.730 15.380 1.00 0.68 C ATOM 450 O ASP A 30 129.548 4.345 16.532 1.00 0.89 O ATOM 451 CB ASP A 30 131.450 6.255 15.956 1.00 0.62 C ATOM 452 CG ASP A 30 130.427 6.981 16.832 1.00 1.34 C ATOM 453 OD1 ASP A 30 129.931 6.367 17.762 1.00 1.84 O ATOM 454 OD2 ASP A 30 130.157 8.139 16.557 1.00 2.19 O ATOM 0 H ASP A 30 130.793 6.625 12.988 1.00 0.61 H new ATOM 0 HA ASP A 30 131.423 4.853 14.326 1.00 0.58 H new ATOM 0 HB2 ASP A 30 132.015 5.541 16.555 1.00 0.62 H new ATOM 0 HB3 ASP A 30 132.167 6.968 15.549 1.00 0.62 H new ATOM 459 N GLU A 31 128.567 4.497 14.576 1.00 0.61 N ATOM 460 CA GLU A 31 127.386 3.748 15.048 1.00 0.73 C ATOM 461 C GLU A 31 127.064 2.604 14.069 1.00 0.59 C ATOM 462 O GLU A 31 126.384 1.657 14.412 1.00 0.67 O ATOM 463 CB GLU A 31 126.243 4.762 15.142 1.00 0.95 C ATOM 464 CG GLU A 31 125.065 4.376 14.238 1.00 1.44 C ATOM 465 CD GLU A 31 124.007 5.481 14.274 1.00 1.74 C ATOM 466 OE1 GLU A 31 124.378 6.635 14.134 1.00 2.25 O ATOM 467 OE2 GLU A 31 122.843 5.155 14.441 1.00 2.23 O ATOM 0 H GLU A 31 128.527 4.798 13.602 1.00 0.61 H new ATOM 0 HA GLU A 31 127.555 3.284 16.020 1.00 0.73 H new ATOM 0 HB2 GLU A 31 125.902 4.831 16.175 1.00 0.95 H new ATOM 0 HB3 GLU A 31 126.609 5.750 14.861 1.00 0.95 H new ATOM 0 HG2 GLU A 31 125.412 4.224 13.216 1.00 1.44 H new ATOM 0 HG3 GLU A 31 124.632 3.433 14.571 1.00 1.44 H new ATOM 474 N TYR A 32 127.538 2.691 12.856 1.00 0.62 N ATOM 475 CA TYR A 32 127.252 1.620 11.862 1.00 0.55 C ATOM 476 C TYR A 32 127.661 0.257 12.421 1.00 0.62 C ATOM 477 O TYR A 32 128.788 0.052 12.827 1.00 0.84 O ATOM 478 CB TYR A 32 128.038 1.894 10.580 1.00 0.58 C ATOM 479 CG TYR A 32 127.078 2.244 9.473 1.00 0.54 C ATOM 480 CD1 TYR A 32 126.267 1.252 8.911 1.00 1.34 C ATOM 481 CD2 TYR A 32 126.999 3.561 9.008 1.00 1.29 C ATOM 482 CE1 TYR A 32 125.375 1.577 7.883 1.00 1.30 C ATOM 483 CE2 TYR A 32 126.108 3.886 7.982 1.00 1.34 C ATOM 484 CZ TYR A 32 125.295 2.895 7.418 1.00 0.57 C ATOM 485 OH TYR A 32 124.416 3.217 6.404 1.00 0.64 O ATOM 0 H TYR A 32 128.112 3.460 12.511 1.00 0.62 H new ATOM 0 HA TYR A 32 126.183 1.612 11.649 1.00 0.55 H new ATOM 0 HB2 TYR A 32 128.742 2.711 10.739 1.00 0.58 H new ATOM 0 HB3 TYR A 32 128.624 1.017 10.305 1.00 0.58 H new ATOM 0 HD1 TYR A 32 126.329 0.236 9.271 1.00 1.34 H new ATOM 0 HD2 TYR A 32 127.626 4.326 9.442 1.00 1.29 H new ATOM 0 HE1 TYR A 32 124.749 0.812 7.449 1.00 1.30 H new ATOM 0 HE2 TYR A 32 126.046 4.903 7.623 1.00 1.34 H new ATOM 0 HH TYR A 32 124.121 4.146 6.509 1.00 0.64 H new ATOM 495 N ASP A 33 126.753 -0.679 12.433 1.00 0.77 N ATOM 496 CA ASP A 33 127.084 -2.035 12.950 1.00 0.92 C ATOM 497 C ASP A 33 127.592 -2.900 11.793 1.00 0.73 C ATOM 498 O ASP A 33 127.463 -2.528 10.644 1.00 0.78 O ATOM 499 CB ASP A 33 125.829 -2.672 13.551 1.00 1.34 C ATOM 500 CG ASP A 33 125.804 -2.421 15.060 1.00 1.74 C ATOM 501 OD1 ASP A 33 126.862 -2.468 15.666 1.00 2.33 O ATOM 502 OD2 ASP A 33 124.728 -2.186 15.584 1.00 2.11 O ATOM 0 H ASP A 33 125.794 -0.562 12.106 1.00 0.77 H new ATOM 0 HA ASP A 33 127.853 -1.959 13.719 1.00 0.92 H new ATOM 0 HB2 ASP A 33 124.937 -2.252 13.087 1.00 1.34 H new ATOM 0 HB3 ASP A 33 125.819 -3.743 13.349 1.00 1.34 H new ATOM 507 N PRO A 34 128.152 -4.031 12.136 1.00 0.68 N ATOM 508 CA PRO A 34 128.688 -4.990 11.151 1.00 0.70 C ATOM 509 C PRO A 34 127.556 -5.827 10.538 1.00 0.71 C ATOM 510 O PRO A 34 127.683 -7.023 10.365 1.00 1.18 O ATOM 511 CB PRO A 34 129.616 -5.873 11.984 1.00 0.84 C ATOM 512 CG PRO A 34 129.133 -5.756 13.450 1.00 0.91 C ATOM 513 CD PRO A 34 128.314 -4.455 13.541 1.00 0.83 C ATOM 0 HA PRO A 34 129.194 -4.505 10.316 1.00 0.70 H new ATOM 0 HB2 PRO A 34 129.576 -6.908 11.644 1.00 0.84 H new ATOM 0 HB3 PRO A 34 130.651 -5.546 11.889 1.00 0.84 H new ATOM 0 HG2 PRO A 34 128.525 -6.617 13.727 1.00 0.91 H new ATOM 0 HG3 PRO A 34 129.980 -5.730 14.136 1.00 0.91 H new ATOM 0 HD2 PRO A 34 127.350 -4.624 14.020 1.00 0.83 H new ATOM 0 HD3 PRO A 34 128.833 -3.698 14.128 1.00 0.83 H new ATOM 521 N THR A 35 126.452 -5.211 10.212 1.00 0.71 N ATOM 522 CA THR A 35 125.318 -5.973 9.617 1.00 0.69 C ATOM 523 C THR A 35 124.552 -5.075 8.641 1.00 0.72 C ATOM 524 O THR A 35 124.101 -5.514 7.601 1.00 1.15 O ATOM 525 CB THR A 35 124.372 -6.447 10.722 1.00 0.70 C ATOM 526 OG1 THR A 35 123.047 -6.517 10.214 1.00 0.85 O ATOM 527 CG2 THR A 35 124.427 -5.467 11.886 1.00 0.85 C ATOM 0 H THR A 35 126.287 -4.212 10.332 1.00 0.71 H new ATOM 0 HA THR A 35 125.711 -6.839 9.085 1.00 0.69 H new ATOM 0 HB THR A 35 124.676 -7.435 11.067 1.00 0.70 H new ATOM 0 HG1 THR A 35 122.441 -6.822 10.921 1.00 0.85 H new ATOM 0 HG21 THR A 35 123.754 -5.802 12.675 1.00 0.85 H new ATOM 0 HG22 THR A 35 125.445 -5.419 12.273 1.00 0.85 H new ATOM 0 HG23 THR A 35 124.122 -4.478 11.544 1.00 0.85 H new ATOM 535 N ILE A 36 124.398 -3.821 8.969 1.00 0.62 N ATOM 536 CA ILE A 36 123.656 -2.895 8.063 1.00 0.67 C ATOM 537 C ILE A 36 124.191 -3.040 6.638 1.00 0.78 C ATOM 538 O ILE A 36 125.114 -3.787 6.384 1.00 1.76 O ATOM 539 CB ILE A 36 123.843 -1.445 8.524 1.00 0.84 C ATOM 540 CG1 ILE A 36 123.847 -1.372 10.057 1.00 1.51 C ATOM 541 CG2 ILE A 36 122.697 -0.591 7.981 1.00 1.48 C ATOM 542 CD1 ILE A 36 122.691 -2.201 10.623 1.00 1.66 C ATOM 0 H ILE A 36 124.754 -3.396 9.825 1.00 0.62 H new ATOM 0 HA ILE A 36 122.596 -3.147 8.090 1.00 0.67 H new ATOM 0 HB ILE A 36 124.796 -1.072 8.148 1.00 0.84 H new ATOM 0 HG12 ILE A 36 124.796 -1.743 10.445 1.00 1.51 H new ATOM 0 HG13 ILE A 36 123.754 -0.335 10.380 1.00 1.51 H new ATOM 0 HG21 ILE A 36 122.826 0.441 8.307 1.00 1.48 H new ATOM 0 HG22 ILE A 36 122.698 -0.631 6.892 1.00 1.48 H new ATOM 0 HG23 ILE A 36 121.748 -0.974 8.357 1.00 1.48 H new ATOM 0 HD11 ILE A 36 122.701 -2.144 11.711 1.00 1.66 H new ATOM 0 HD12 ILE A 36 121.745 -1.810 10.248 1.00 1.66 H new ATOM 0 HD13 ILE A 36 122.803 -3.240 10.313 1.00 1.66 H new ATOM 554 N GLU A 37 123.621 -2.329 5.703 1.00 0.57 N ATOM 555 CA GLU A 37 124.103 -2.431 4.297 1.00 0.70 C ATOM 556 C GLU A 37 123.435 -1.350 3.441 1.00 0.70 C ATOM 557 O GLU A 37 122.226 -1.267 3.360 1.00 1.28 O ATOM 558 CB GLU A 37 123.754 -3.812 3.739 1.00 1.05 C ATOM 559 CG GLU A 37 124.943 -4.357 2.944 1.00 0.76 C ATOM 560 CD GLU A 37 124.432 -5.131 1.727 1.00 1.40 C ATOM 561 OE1 GLU A 37 124.139 -4.497 0.727 1.00 1.94 O ATOM 562 OE2 GLU A 37 124.342 -6.345 1.816 1.00 2.05 O ATOM 0 H GLU A 37 122.845 -1.684 5.852 1.00 0.57 H new ATOM 0 HA GLU A 37 125.184 -2.290 4.275 1.00 0.70 H new ATOM 0 HB2 GLU A 37 123.505 -4.493 4.553 1.00 1.05 H new ATOM 0 HB3 GLU A 37 122.875 -3.746 3.099 1.00 1.05 H new ATOM 0 HG2 GLU A 37 125.586 -3.537 2.623 1.00 0.76 H new ATOM 0 HG3 GLU A 37 125.548 -5.008 3.575 1.00 0.76 H new ATOM 569 N ASP A 38 124.217 -0.525 2.798 1.00 0.42 N ATOM 570 CA ASP A 38 123.639 0.549 1.942 1.00 0.52 C ATOM 571 C ASP A 38 124.742 1.136 1.059 1.00 0.49 C ATOM 572 O ASP A 38 125.915 1.000 1.344 1.00 0.67 O ATOM 573 CB ASP A 38 123.051 1.650 2.826 1.00 0.61 C ATOM 574 CG ASP A 38 121.539 1.726 2.606 1.00 1.11 C ATOM 575 OD1 ASP A 38 121.088 1.266 1.570 1.00 1.75 O ATOM 576 OD2 ASP A 38 120.859 2.244 3.476 1.00 1.71 O ATOM 0 H ASP A 38 125.236 -0.550 2.830 1.00 0.42 H new ATOM 0 HA ASP A 38 122.850 0.132 1.316 1.00 0.52 H new ATOM 0 HB2 ASP A 38 123.267 1.444 3.874 1.00 0.61 H new ATOM 0 HB3 ASP A 38 123.513 2.608 2.588 1.00 0.61 H new ATOM 581 N SER A 39 124.378 1.785 -0.013 1.00 0.43 N ATOM 582 CA SER A 39 125.411 2.376 -0.912 1.00 0.40 C ATOM 583 C SER A 39 125.412 3.900 -0.758 1.00 0.35 C ATOM 584 O SER A 39 124.373 4.529 -0.708 1.00 0.43 O ATOM 585 CB SER A 39 125.096 2.004 -2.362 1.00 0.45 C ATOM 586 OG SER A 39 123.899 2.657 -2.766 1.00 1.06 O ATOM 0 H SER A 39 123.412 1.932 -0.305 1.00 0.43 H new ATOM 0 HA SER A 39 126.393 1.987 -0.644 1.00 0.40 H new ATOM 0 HB2 SER A 39 125.921 2.297 -3.012 1.00 0.45 H new ATOM 0 HB3 SER A 39 124.984 0.924 -2.456 1.00 0.45 H new ATOM 0 HG SER A 39 123.696 2.422 -3.695 1.00 1.06 H new ATOM 592 N TYR A 40 126.571 4.497 -0.677 1.00 0.35 N ATOM 593 CA TYR A 40 126.646 5.971 -0.520 1.00 0.33 C ATOM 594 C TYR A 40 126.850 6.622 -1.890 1.00 0.30 C ATOM 595 O TYR A 40 127.928 6.581 -2.454 1.00 0.36 O ATOM 596 CB TYR A 40 127.825 6.308 0.394 1.00 0.40 C ATOM 597 CG TYR A 40 127.562 5.750 1.772 1.00 0.43 C ATOM 598 CD1 TYR A 40 127.479 4.364 1.954 1.00 0.64 C ATOM 599 CD2 TYR A 40 127.389 6.612 2.867 1.00 1.18 C ATOM 600 CE1 TYR A 40 127.221 3.839 3.223 1.00 0.65 C ATOM 601 CE2 TYR A 40 127.133 6.084 4.134 1.00 1.23 C ATOM 602 CZ TYR A 40 127.046 4.698 4.312 1.00 0.57 C ATOM 603 OH TYR A 40 126.791 4.179 5.560 1.00 0.68 O ATOM 0 H TYR A 40 127.472 4.020 -0.713 1.00 0.35 H new ATOM 0 HA TYR A 40 125.721 6.347 -0.083 1.00 0.33 H new ATOM 0 HB2 TYR A 40 128.746 5.889 -0.011 1.00 0.40 H new ATOM 0 HB3 TYR A 40 127.963 7.388 0.446 1.00 0.40 H new ATOM 0 HD1 TYR A 40 127.615 3.700 1.113 1.00 0.64 H new ATOM 0 HD2 TYR A 40 127.454 7.681 2.729 1.00 1.18 H new ATOM 0 HE1 TYR A 40 127.157 2.770 3.362 1.00 0.65 H new ATOM 0 HE2 TYR A 40 127.002 6.745 4.978 1.00 1.23 H new ATOM 0 HH TYR A 40 125.834 3.987 5.645 1.00 0.68 H new ATOM 613 N ARG A 41 125.821 7.219 -2.430 1.00 0.37 N ATOM 614 CA ARG A 41 125.948 7.874 -3.763 1.00 0.37 C ATOM 615 C ARG A 41 126.244 9.363 -3.572 1.00 0.38 C ATOM 616 O ARG A 41 125.535 10.063 -2.877 1.00 0.44 O ATOM 617 CB ARG A 41 124.641 7.705 -4.540 1.00 0.43 C ATOM 618 CG ARG A 41 124.814 6.616 -5.600 1.00 0.62 C ATOM 619 CD ARG A 41 123.835 5.472 -5.326 1.00 0.86 C ATOM 620 NE ARG A 41 123.024 5.207 -6.548 1.00 1.13 N ATOM 621 CZ ARG A 41 121.831 5.723 -6.664 1.00 1.53 C ATOM 622 NH1 ARG A 41 121.688 7.013 -6.801 1.00 2.26 N ATOM 623 NH2 ARG A 41 120.780 4.950 -6.643 1.00 2.18 N ATOM 0 H ARG A 41 124.896 7.281 -2.004 1.00 0.37 H new ATOM 0 HA ARG A 41 126.762 7.412 -4.321 1.00 0.37 H new ATOM 0 HB2 ARG A 41 123.833 7.439 -3.859 1.00 0.43 H new ATOM 0 HB3 ARG A 41 124.363 8.647 -5.013 1.00 0.43 H new ATOM 0 HG2 ARG A 41 124.637 7.030 -6.593 1.00 0.62 H new ATOM 0 HG3 ARG A 41 125.838 6.242 -5.588 1.00 0.62 H new ATOM 0 HD2 ARG A 41 124.381 4.574 -5.037 1.00 0.86 H new ATOM 0 HD3 ARG A 41 123.182 5.730 -4.492 1.00 0.86 H new ATOM 0 HE ARG A 41 123.401 4.622 -7.294 1.00 1.13 H new ATOM 0 HH11 ARG A 41 122.509 7.618 -6.817 1.00 2.26 H new ATOM 0 HH12 ARG A 41 120.755 7.416 -6.892 1.00 2.26 H new ATOM 0 HH21 ARG A 41 120.891 3.942 -6.536 1.00 2.18 H new ATOM 0 HH22 ARG A 41 119.848 5.354 -6.734 1.00 2.18 H new ATOM 637 N LYS A 42 127.288 9.851 -4.185 1.00 0.35 N ATOM 638 CA LYS A 42 127.642 11.293 -4.043 1.00 0.38 C ATOM 639 C LYS A 42 128.942 11.555 -4.802 1.00 0.35 C ATOM 640 O LYS A 42 129.877 10.784 -4.719 1.00 0.37 O ATOM 641 CB LYS A 42 127.844 11.629 -2.559 1.00 0.41 C ATOM 642 CG LYS A 42 127.776 13.145 -2.364 1.00 0.58 C ATOM 643 CD LYS A 42 127.745 13.466 -0.868 1.00 1.37 C ATOM 644 CE LYS A 42 126.895 14.715 -0.630 1.00 1.84 C ATOM 645 NZ LYS A 42 127.720 15.930 -0.877 1.00 2.51 N ATOM 0 H LYS A 42 127.914 9.310 -4.781 1.00 0.35 H new ATOM 0 HA LYS A 42 126.841 11.913 -4.446 1.00 0.38 H new ATOM 0 HB2 LYS A 42 127.078 11.140 -1.957 1.00 0.41 H new ATOM 0 HB3 LYS A 42 128.808 11.251 -2.218 1.00 0.41 H new ATOM 0 HG2 LYS A 42 128.638 13.622 -2.831 1.00 0.58 H new ATOM 0 HG3 LYS A 42 126.887 13.546 -2.851 1.00 0.58 H new ATOM 0 HD2 LYS A 42 127.334 12.623 -0.313 1.00 1.37 H new ATOM 0 HD3 LYS A 42 128.758 13.627 -0.499 1.00 1.37 H new ATOM 0 HE2 LYS A 42 126.028 14.710 -1.291 1.00 1.84 H new ATOM 0 HE3 LYS A 42 126.516 14.721 0.392 1.00 1.84 H new ATOM 0 HZ1 LYS A 42 127.143 16.780 -0.715 1.00 2.51 H new ATOM 0 HZ2 LYS A 42 128.533 15.935 -0.229 1.00 2.51 H new ATOM 0 HZ3 LYS A 42 128.061 15.924 -1.860 1.00 2.51 H new ATOM 659 N GLN A 43 129.024 12.630 -5.540 1.00 0.34 N ATOM 660 CA GLN A 43 130.278 12.902 -6.280 1.00 0.33 C ATOM 661 C GLN A 43 131.298 13.496 -5.319 1.00 0.34 C ATOM 662 O GLN A 43 130.952 14.099 -4.322 1.00 0.41 O ATOM 663 CB GLN A 43 130.014 13.899 -7.403 1.00 0.34 C ATOM 664 CG GLN A 43 128.837 13.422 -8.255 1.00 0.49 C ATOM 665 CD GLN A 43 127.925 14.607 -8.576 1.00 0.56 C ATOM 666 OE1 GLN A 43 128.387 15.720 -8.729 1.00 1.08 O ATOM 667 NE2 GLN A 43 126.638 14.415 -8.681 1.00 1.21 N ATOM 0 H GLN A 43 128.283 13.321 -5.658 1.00 0.34 H new ATOM 0 HA GLN A 43 130.656 11.972 -6.706 1.00 0.33 H new ATOM 0 HB2 GLN A 43 129.797 14.882 -6.985 1.00 0.34 H new ATOM 0 HB3 GLN A 43 130.904 14.006 -8.023 1.00 0.34 H new ATOM 0 HG2 GLN A 43 129.202 12.970 -9.177 1.00 0.49 H new ATOM 0 HG3 GLN A 43 128.277 12.653 -7.723 1.00 0.49 H new ATOM 0 HE21 GLN A 43 126.250 13.481 -8.553 1.00 1.21 H new ATOM 0 HE22 GLN A 43 126.021 15.199 -8.891 1.00 1.21 H new ATOM 676 N VAL A 44 132.551 13.325 -5.604 1.00 0.33 N ATOM 677 CA VAL A 44 133.597 13.870 -4.705 1.00 0.37 C ATOM 678 C VAL A 44 134.579 14.700 -5.510 1.00 0.36 C ATOM 679 O VAL A 44 134.338 15.063 -6.640 1.00 0.34 O ATOM 680 CB VAL A 44 134.359 12.709 -4.082 1.00 0.39 C ATOM 681 CG1 VAL A 44 133.611 12.196 -2.867 1.00 0.46 C ATOM 682 CG2 VAL A 44 134.521 11.612 -5.124 1.00 0.37 C ATOM 0 H VAL A 44 132.899 12.829 -6.425 1.00 0.33 H new ATOM 0 HA VAL A 44 133.130 14.486 -3.937 1.00 0.37 H new ATOM 0 HB VAL A 44 135.346 13.039 -3.757 1.00 0.39 H new ATOM 0 HG11 VAL A 44 134.161 11.365 -2.425 1.00 0.46 H new ATOM 0 HG12 VAL A 44 133.514 12.997 -2.134 1.00 0.46 H new ATOM 0 HG13 VAL A 44 132.620 11.856 -3.167 1.00 0.46 H new ATOM 0 HG21 VAL A 44 135.066 10.774 -4.689 1.00 0.37 H new ATOM 0 HG22 VAL A 44 133.538 11.274 -5.452 1.00 0.37 H new ATOM 0 HG23 VAL A 44 135.075 12.001 -5.978 1.00 0.37 H new ATOM 692 N VAL A 45 135.707 14.956 -4.939 1.00 0.39 N ATOM 693 CA VAL A 45 136.754 15.715 -5.667 1.00 0.40 C ATOM 694 C VAL A 45 137.962 14.810 -5.792 1.00 0.37 C ATOM 695 O VAL A 45 138.609 14.498 -4.820 1.00 0.43 O ATOM 696 CB VAL A 45 137.153 16.984 -4.914 1.00 0.48 C ATOM 697 CG1 VAL A 45 137.198 16.672 -3.430 1.00 0.53 C ATOM 698 CG2 VAL A 45 138.541 17.464 -5.392 1.00 0.49 C ATOM 0 H VAL A 45 135.957 14.672 -3.992 1.00 0.39 H new ATOM 0 HA VAL A 45 136.372 16.017 -6.642 1.00 0.40 H new ATOM 0 HB VAL A 45 136.426 17.774 -5.106 1.00 0.48 H new ATOM 0 HG11 VAL A 45 137.482 17.568 -2.878 1.00 0.53 H new ATOM 0 HG12 VAL A 45 136.215 16.338 -3.099 1.00 0.53 H new ATOM 0 HG13 VAL A 45 137.930 15.886 -3.246 1.00 0.53 H new ATOM 0 HG21 VAL A 45 138.819 18.369 -4.851 1.00 0.49 H new ATOM 0 HG22 VAL A 45 139.280 16.686 -5.202 1.00 0.49 H new ATOM 0 HG23 VAL A 45 138.504 17.677 -6.460 1.00 0.49 H new ATOM 708 N ILE A 46 138.309 14.419 -6.969 1.00 0.36 N ATOM 709 CA ILE A 46 139.508 13.568 -7.100 1.00 0.35 C ATOM 710 C ILE A 46 140.643 14.557 -7.217 1.00 0.39 C ATOM 711 O ILE A 46 140.435 15.703 -6.939 1.00 0.44 O ATOM 712 CB ILE A 46 139.394 12.675 -8.351 1.00 0.35 C ATOM 713 CG1 ILE A 46 137.951 12.122 -8.444 1.00 0.35 C ATOM 714 CG2 ILE A 46 140.414 11.522 -8.282 1.00 0.38 C ATOM 715 CD1 ILE A 46 137.870 10.671 -7.949 1.00 0.67 C ATOM 0 H ILE A 46 137.825 14.646 -7.838 1.00 0.36 H new ATOM 0 HA ILE A 46 139.649 12.885 -6.262 1.00 0.35 H new ATOM 0 HB ILE A 46 139.613 13.263 -9.242 1.00 0.35 H new ATOM 0 HG12 ILE A 46 137.282 12.747 -7.852 1.00 0.35 H new ATOM 0 HG13 ILE A 46 137.606 12.175 -9.477 1.00 0.35 H new ATOM 0 HG21 ILE A 46 140.321 10.900 -9.172 1.00 0.38 H new ATOM 0 HG22 ILE A 46 141.423 11.931 -8.229 1.00 0.38 H new ATOM 0 HG23 ILE A 46 140.221 10.918 -7.396 1.00 0.38 H new ATOM 0 HD11 ILE A 46 136.842 10.316 -8.029 1.00 0.67 H new ATOM 0 HD12 ILE A 46 138.520 10.042 -8.558 1.00 0.67 H new ATOM 0 HD13 ILE A 46 138.190 10.623 -6.908 1.00 0.67 H new ATOM 727 N ASP A 47 141.803 14.127 -7.590 1.00 0.45 N ATOM 728 CA ASP A 47 142.988 15.028 -7.731 1.00 0.50 C ATOM 729 C ASP A 47 142.565 16.447 -8.116 1.00 0.56 C ATOM 730 O ASP A 47 142.723 16.874 -9.243 1.00 0.60 O ATOM 731 CB ASP A 47 143.881 14.466 -8.830 1.00 0.50 C ATOM 732 CG ASP A 47 145.080 15.391 -9.045 1.00 1.10 C ATOM 733 OD1 ASP A 47 145.316 16.231 -8.192 1.00 1.85 O ATOM 734 OD2 ASP A 47 145.743 15.243 -10.058 1.00 1.75 O ATOM 0 H ASP A 47 141.996 13.151 -7.814 1.00 0.45 H new ATOM 0 HA ASP A 47 143.512 15.076 -6.777 1.00 0.50 H new ATOM 0 HB2 ASP A 47 144.224 13.468 -8.558 1.00 0.50 H new ATOM 0 HB3 ASP A 47 143.315 14.367 -9.756 1.00 0.50 H new ATOM 739 N GLY A 48 142.034 17.174 -7.184 1.00 0.62 N ATOM 740 CA GLY A 48 141.595 18.570 -7.466 1.00 0.71 C ATOM 741 C GLY A 48 140.414 18.591 -8.452 1.00 0.68 C ATOM 742 O GLY A 48 139.940 19.646 -8.823 1.00 0.84 O ATOM 0 H GLY A 48 141.881 16.862 -6.225 1.00 0.62 H new ATOM 0 HA2 GLY A 48 141.305 19.058 -6.536 1.00 0.71 H new ATOM 0 HA3 GLY A 48 142.427 19.140 -7.879 1.00 0.71 H new ATOM 746 N GLU A 49 139.930 17.454 -8.891 1.00 0.52 N ATOM 747 CA GLU A 49 138.810 17.450 -9.835 1.00 0.52 C ATOM 748 C GLU A 49 137.555 16.907 -9.134 1.00 0.48 C ATOM 749 O GLU A 49 137.231 17.298 -8.036 1.00 0.70 O ATOM 750 CB GLU A 49 139.188 16.577 -11.024 1.00 0.49 C ATOM 751 CG GLU A 49 139.484 15.170 -10.527 1.00 0.42 C ATOM 752 CD GLU A 49 139.624 14.217 -11.715 1.00 0.85 C ATOM 753 OE1 GLU A 49 138.628 13.976 -12.377 1.00 1.41 O ATOM 754 OE2 GLU A 49 140.725 13.743 -11.942 1.00 1.59 O ATOM 0 H GLU A 49 140.276 16.532 -8.624 1.00 0.52 H new ATOM 0 HA GLU A 49 138.596 18.460 -10.185 1.00 0.52 H new ATOM 0 HB2 GLU A 49 138.376 16.557 -11.751 1.00 0.49 H new ATOM 0 HB3 GLU A 49 140.060 16.989 -11.532 1.00 0.49 H new ATOM 0 HG2 GLU A 49 140.401 15.168 -9.938 1.00 0.42 H new ATOM 0 HG3 GLU A 49 138.683 14.831 -9.870 1.00 0.42 H new ATOM 761 N THR A 50 136.852 16.012 -9.757 1.00 0.42 N ATOM 762 CA THR A 50 135.602 15.471 -9.134 1.00 0.38 C ATOM 763 C THR A 50 135.038 14.340 -9.998 1.00 0.34 C ATOM 764 O THR A 50 135.213 14.322 -11.199 1.00 0.35 O ATOM 765 CB THR A 50 134.574 16.607 -9.052 1.00 0.42 C ATOM 766 OG1 THR A 50 134.940 17.507 -8.016 1.00 0.53 O ATOM 767 CG2 THR A 50 133.196 16.031 -8.754 1.00 0.38 C ATOM 0 H THR A 50 137.082 15.626 -10.673 1.00 0.42 H new ATOM 0 HA THR A 50 135.821 15.082 -8.140 1.00 0.38 H new ATOM 0 HB THR A 50 134.549 17.137 -10.004 1.00 0.42 H new ATOM 0 HG1 THR A 50 135.906 17.454 -7.863 1.00 0.53 H new ATOM 0 HG21 THR A 50 132.468 16.840 -8.696 1.00 0.38 H new ATOM 0 HG22 THR A 50 132.910 15.342 -9.549 1.00 0.38 H new ATOM 0 HG23 THR A 50 133.222 15.498 -7.803 1.00 0.38 H new ATOM 775 N CYS A 51 134.343 13.406 -9.396 1.00 0.32 N ATOM 776 CA CYS A 51 133.751 12.291 -10.182 1.00 0.31 C ATOM 777 C CYS A 51 132.635 11.657 -9.371 1.00 0.29 C ATOM 778 O CYS A 51 132.819 11.269 -8.235 1.00 0.31 O ATOM 779 CB CYS A 51 134.796 11.220 -10.477 1.00 0.35 C ATOM 780 SG CYS A 51 135.866 11.756 -11.835 1.00 1.74 S ATOM 0 H CYS A 51 134.163 13.372 -8.393 1.00 0.32 H new ATOM 0 HA CYS A 51 133.374 12.692 -11.123 1.00 0.31 H new ATOM 0 HB2 CYS A 51 135.394 11.028 -9.586 1.00 0.35 H new ATOM 0 HB3 CYS A 51 134.304 10.283 -10.739 1.00 0.35 H new ATOM 0 HG CYS A 51 135.838 13.053 -11.924 1.00 1.74 H new ATOM 786 N LEU A 52 131.486 11.527 -9.951 1.00 0.30 N ATOM 787 CA LEU A 52 130.366 10.891 -9.218 1.00 0.31 C ATOM 788 C LEU A 52 130.839 9.524 -8.738 1.00 0.37 C ATOM 789 O LEU A 52 131.341 8.739 -9.509 1.00 0.56 O ATOM 790 CB LEU A 52 129.168 10.726 -10.164 1.00 0.34 C ATOM 791 CG LEU A 52 127.869 10.616 -9.359 1.00 0.60 C ATOM 792 CD1 LEU A 52 126.778 9.992 -10.231 1.00 1.21 C ATOM 793 CD2 LEU A 52 128.102 9.732 -8.134 1.00 1.20 C ATOM 0 H LEU A 52 131.271 11.832 -10.900 1.00 0.30 H new ATOM 0 HA LEU A 52 130.061 11.504 -8.370 1.00 0.31 H new ATOM 0 HB2 LEU A 52 129.112 11.576 -10.844 1.00 0.34 H new ATOM 0 HB3 LEU A 52 129.300 9.835 -10.778 1.00 0.34 H new ATOM 0 HG LEU A 52 127.557 11.610 -9.039 1.00 0.60 H new ATOM 0 HD11 LEU A 52 125.854 9.914 -9.658 1.00 1.21 H new ATOM 0 HD12 LEU A 52 126.610 10.618 -11.107 1.00 1.21 H new ATOM 0 HD13 LEU A 52 127.092 8.998 -10.551 1.00 1.21 H new ATOM 0 HD21 LEU A 52 127.178 9.653 -7.561 1.00 1.20 H new ATOM 0 HD22 LEU A 52 128.415 8.739 -8.456 1.00 1.20 H new ATOM 0 HD23 LEU A 52 128.880 10.173 -7.510 1.00 1.20 H new ATOM 805 N LEU A 53 130.709 9.240 -7.471 1.00 0.42 N ATOM 806 CA LEU A 53 131.173 7.927 -6.956 1.00 0.52 C ATOM 807 C LEU A 53 130.042 7.276 -6.140 1.00 0.37 C ATOM 808 O LEU A 53 129.065 7.910 -5.792 1.00 0.37 O ATOM 809 CB LEU A 53 132.444 8.172 -6.119 1.00 0.77 C ATOM 810 CG LEU A 53 132.412 7.396 -4.806 1.00 0.82 C ATOM 811 CD1 LEU A 53 133.781 7.486 -4.137 1.00 1.40 C ATOM 812 CD2 LEU A 53 131.346 8.003 -3.897 1.00 1.56 C ATOM 0 H LEU A 53 130.301 9.862 -6.773 1.00 0.42 H new ATOM 0 HA LEU A 53 131.421 7.238 -7.763 1.00 0.52 H new ATOM 0 HB2 LEU A 53 133.321 7.877 -6.695 1.00 0.77 H new ATOM 0 HB3 LEU A 53 132.543 9.237 -5.910 1.00 0.77 H new ATOM 0 HG LEU A 53 132.174 6.349 -4.994 1.00 0.82 H new ATOM 0 HD11 LEU A 53 133.764 6.933 -3.198 1.00 1.40 H new ATOM 0 HD12 LEU A 53 134.537 7.059 -4.796 1.00 1.40 H new ATOM 0 HD13 LEU A 53 134.021 8.531 -3.939 1.00 1.40 H new ATOM 0 HD21 LEU A 53 131.316 7.455 -2.955 1.00 1.56 H new ATOM 0 HD22 LEU A 53 131.587 9.048 -3.701 1.00 1.56 H new ATOM 0 HD23 LEU A 53 130.373 7.940 -4.385 1.00 1.56 H new ATOM 824 N ASP A 54 130.178 6.016 -5.832 1.00 0.32 N ATOM 825 CA ASP A 54 129.132 5.304 -5.037 1.00 0.29 C ATOM 826 C ASP A 54 129.809 4.179 -4.251 1.00 0.29 C ATOM 827 O ASP A 54 130.026 3.100 -4.761 1.00 0.36 O ATOM 828 CB ASP A 54 128.086 4.716 -5.986 1.00 0.44 C ATOM 829 CG ASP A 54 127.099 3.857 -5.195 1.00 0.56 C ATOM 830 OD1 ASP A 54 127.170 3.877 -3.977 1.00 1.24 O ATOM 831 OD2 ASP A 54 126.287 3.195 -5.820 1.00 1.25 O ATOM 0 H ASP A 54 130.977 5.441 -6.099 1.00 0.32 H new ATOM 0 HA ASP A 54 128.640 5.994 -4.352 1.00 0.29 H new ATOM 0 HB2 ASP A 54 127.555 5.518 -6.500 1.00 0.44 H new ATOM 0 HB3 ASP A 54 128.574 4.114 -6.753 1.00 0.44 H new ATOM 836 N ILE A 55 130.177 4.426 -3.026 1.00 0.28 N ATOM 837 CA ILE A 55 130.882 3.372 -2.243 1.00 0.33 C ATOM 838 C ILE A 55 129.904 2.511 -1.441 1.00 0.29 C ATOM 839 O ILE A 55 129.222 2.975 -0.550 1.00 0.32 O ATOM 840 CB ILE A 55 131.890 4.045 -1.312 1.00 0.46 C ATOM 841 CG1 ILE A 55 132.977 4.689 -2.168 1.00 0.81 C ATOM 842 CG2 ILE A 55 132.528 3.011 -0.381 1.00 0.45 C ATOM 843 CD1 ILE A 55 133.142 6.149 -1.775 1.00 0.73 C ATOM 0 H ILE A 55 130.022 5.306 -2.534 1.00 0.28 H new ATOM 0 HA ILE A 55 131.397 2.706 -2.935 1.00 0.33 H new ATOM 0 HB ILE A 55 131.383 4.795 -0.705 1.00 0.46 H new ATOM 0 HG12 ILE A 55 133.920 4.158 -2.036 1.00 0.81 H new ATOM 0 HG13 ILE A 55 132.714 4.614 -3.223 1.00 0.81 H new ATOM 0 HG21 ILE A 55 133.244 3.505 0.276 1.00 0.45 H new ATOM 0 HG22 ILE A 55 131.753 2.535 0.220 1.00 0.45 H new ATOM 0 HG23 ILE A 55 133.042 2.255 -0.975 1.00 0.45 H new ATOM 0 HD11 ILE A 55 133.919 6.605 -2.388 1.00 0.73 H new ATOM 0 HD12 ILE A 55 132.201 6.676 -1.930 1.00 0.73 H new ATOM 0 HD13 ILE A 55 133.425 6.213 -0.724 1.00 0.73 H new ATOM 855 N LEU A 56 129.869 1.242 -1.748 1.00 0.32 N ATOM 856 CA LEU A 56 128.981 0.293 -1.017 1.00 0.33 C ATOM 857 C LEU A 56 129.606 0.057 0.368 1.00 0.33 C ATOM 858 O LEU A 56 130.809 0.129 0.524 1.00 0.37 O ATOM 859 CB LEU A 56 128.915 -1.010 -1.836 1.00 0.42 C ATOM 860 CG LEU A 56 127.696 -1.891 -1.479 1.00 0.56 C ATOM 861 CD1 LEU A 56 126.535 -1.046 -0.945 1.00 0.84 C ATOM 862 CD2 LEU A 56 127.217 -2.606 -2.753 1.00 0.77 C ATOM 0 H LEU A 56 130.428 0.816 -2.487 1.00 0.32 H new ATOM 0 HA LEU A 56 127.969 0.676 -0.889 1.00 0.33 H new ATOM 0 HB2 LEU A 56 128.879 -0.763 -2.897 1.00 0.42 H new ATOM 0 HB3 LEU A 56 129.829 -1.581 -1.672 1.00 0.42 H new ATOM 0 HG LEU A 56 128.000 -2.601 -0.710 1.00 0.56 H new ATOM 0 HD11 LEU A 56 125.693 -1.695 -0.703 1.00 0.84 H new ATOM 0 HD12 LEU A 56 126.854 -0.516 -0.048 1.00 0.84 H new ATOM 0 HD13 LEU A 56 126.231 -0.325 -1.704 1.00 0.84 H new ATOM 0 HD21 LEU A 56 126.357 -3.232 -2.517 1.00 0.77 H new ATOM 0 HD22 LEU A 56 126.933 -1.866 -3.501 1.00 0.77 H new ATOM 0 HD23 LEU A 56 128.022 -3.228 -3.146 1.00 0.77 H new ATOM 874 N ASP A 57 128.811 -0.179 1.380 1.00 0.43 N ATOM 875 CA ASP A 57 129.382 -0.356 2.747 1.00 0.46 C ATOM 876 C ASP A 57 129.723 -1.822 3.026 1.00 0.42 C ATOM 877 O ASP A 57 130.671 -2.115 3.725 1.00 0.67 O ATOM 878 CB ASP A 57 128.374 0.166 3.785 1.00 0.60 C ATOM 879 CG ASP A 57 127.395 -0.941 4.191 1.00 0.73 C ATOM 880 OD1 ASP A 57 126.936 -1.651 3.313 1.00 1.32 O ATOM 881 OD2 ASP A 57 127.122 -1.059 5.374 1.00 1.36 O ATOM 0 H ASP A 57 127.796 -0.256 1.319 1.00 0.43 H new ATOM 0 HA ASP A 57 130.310 0.213 2.814 1.00 0.46 H new ATOM 0 HB2 ASP A 57 128.905 0.530 4.665 1.00 0.60 H new ATOM 0 HB3 ASP A 57 127.824 1.012 3.372 1.00 0.60 H new ATOM 886 N THR A 58 128.975 -2.744 2.493 1.00 0.48 N ATOM 887 CA THR A 58 129.291 -4.178 2.742 1.00 0.46 C ATOM 888 C THR A 58 129.049 -4.510 4.217 1.00 0.54 C ATOM 889 O THR A 58 129.411 -3.755 5.098 1.00 0.84 O ATOM 890 CB THR A 58 130.769 -4.437 2.410 1.00 0.51 C ATOM 891 OG1 THR A 58 131.543 -4.247 3.574 1.00 0.90 O ATOM 892 CG2 THR A 58 131.264 -3.472 1.325 1.00 0.97 C ATOM 0 H THR A 58 128.164 -2.570 1.900 1.00 0.48 H new ATOM 0 HA THR A 58 128.653 -4.801 2.116 1.00 0.46 H new ATOM 0 HB THR A 58 130.868 -5.459 2.044 1.00 0.51 H new ATOM 0 HG1 THR A 58 131.660 -3.288 3.736 1.00 0.90 H new ATOM 0 HG21 THR A 58 132.313 -3.676 1.108 1.00 0.97 H new ATOM 0 HG22 THR A 58 130.673 -3.608 0.419 1.00 0.97 H new ATOM 0 HG23 THR A 58 131.159 -2.445 1.676 1.00 0.97 H new ATOM 900 N ALA A 59 128.449 -5.638 4.501 1.00 0.61 N ATOM 901 CA ALA A 59 128.206 -6.006 5.925 1.00 0.75 C ATOM 902 C ALA A 59 129.110 -7.177 6.304 1.00 1.39 C ATOM 903 O ALA A 59 130.044 -7.507 5.603 1.00 2.17 O ATOM 904 CB ALA A 59 126.742 -6.414 6.114 1.00 1.27 C ATOM 0 H ALA A 59 128.120 -6.315 3.813 1.00 0.61 H new ATOM 0 HA ALA A 59 128.425 -5.149 6.561 1.00 0.75 H new ATOM 0 HB1 ALA A 59 126.571 -6.682 7.157 1.00 1.27 H new ATOM 0 HB2 ALA A 59 126.094 -5.581 5.842 1.00 1.27 H new ATOM 0 HB3 ALA A 59 126.518 -7.270 5.478 1.00 1.27 H new ATOM 910 N GLY A 60 128.830 -7.808 7.405 1.00 1.58 N ATOM 911 CA GLY A 60 129.649 -8.968 7.844 1.00 2.51 C ATOM 912 C GLY A 60 128.699 -10.094 8.227 1.00 2.14 C ATOM 913 O GLY A 60 127.959 -10.602 7.408 1.00 2.80 O ATOM 0 H GLY A 60 128.059 -7.567 8.028 1.00 1.58 H new ATOM 0 HA2 GLY A 60 130.317 -9.288 7.044 1.00 2.51 H new ATOM 0 HA3 GLY A 60 130.276 -8.693 8.692 1.00 2.51 H new ATOM 917 N GLN A 61 128.689 -10.469 9.470 1.00 1.55 N ATOM 918 CA GLN A 61 127.757 -11.538 9.910 1.00 1.61 C ATOM 919 C GLN A 61 127.754 -12.692 8.905 1.00 1.47 C ATOM 920 O GLN A 61 126.791 -13.425 8.792 1.00 1.77 O ATOM 921 CB GLN A 61 126.356 -10.939 9.998 1.00 1.86 C ATOM 922 CG GLN A 61 125.578 -11.588 11.142 1.00 2.36 C ATOM 923 CD GLN A 61 125.736 -10.736 12.406 1.00 3.13 C ATOM 924 OE1 GLN A 61 125.746 -9.429 12.311 1.00 3.96 O flip ATOM 925 NE2 GLN A 61 125.850 -11.263 13.494 1.00 3.20 N flip ATOM 0 H GLN A 61 129.285 -10.082 10.201 1.00 1.55 H new ATOM 0 HA GLN A 61 128.073 -11.926 10.878 1.00 1.61 H new ATOM 0 HB2 GLN A 61 126.422 -9.863 10.157 1.00 1.86 H new ATOM 0 HB3 GLN A 61 125.828 -11.090 9.057 1.00 1.86 H new ATOM 0 HG2 GLN A 61 124.524 -11.676 10.877 1.00 2.36 H new ATOM 0 HG3 GLN A 61 125.947 -12.598 11.321 1.00 2.36 H new ATOM 0 HE21 GLN A 61 125.843 -12.280 13.571 1.00 3.20 H new ATOM 0 HE22 GLN A 61 125.953 -10.689 14.331 1.00 3.20 H new ATOM 934 N GLU A 62 128.815 -12.850 8.162 1.00 1.21 N ATOM 935 CA GLU A 62 128.856 -13.944 7.154 1.00 1.18 C ATOM 936 C GLU A 62 130.267 -14.537 7.083 1.00 1.16 C ATOM 937 O GLU A 62 130.633 -15.376 7.882 1.00 1.49 O ATOM 938 CB GLU A 62 128.460 -13.371 5.793 1.00 1.13 C ATOM 939 CG GLU A 62 126.975 -13.010 5.814 1.00 1.38 C ATOM 940 CD GLU A 62 126.136 -14.284 5.696 1.00 2.04 C ATOM 941 OE1 GLU A 62 126.194 -14.914 4.653 1.00 2.67 O ATOM 942 OE2 GLU A 62 125.449 -14.607 6.651 1.00 2.56 O ATOM 0 H GLU A 62 129.653 -12.270 8.210 1.00 1.21 H new ATOM 0 HA GLU A 62 128.162 -14.735 7.438 1.00 1.18 H new ATOM 0 HB2 GLU A 62 129.058 -12.488 5.569 1.00 1.13 H new ATOM 0 HB3 GLU A 62 128.659 -14.099 5.006 1.00 1.13 H new ATOM 0 HG2 GLU A 62 126.731 -12.486 6.738 1.00 1.38 H new ATOM 0 HG3 GLU A 62 126.743 -12.332 4.992 1.00 1.38 H new ATOM 949 N GLU A 63 131.065 -14.118 6.135 1.00 0.98 N ATOM 950 CA GLU A 63 132.443 -14.675 6.030 1.00 1.07 C ATOM 951 C GLU A 63 133.305 -13.781 5.137 1.00 0.99 C ATOM 952 O GLU A 63 134.335 -13.286 5.549 1.00 1.13 O ATOM 953 CB GLU A 63 132.378 -16.081 5.433 1.00 1.13 C ATOM 954 CG GLU A 63 133.568 -16.901 5.933 1.00 1.38 C ATOM 955 CD GLU A 63 133.187 -17.610 7.234 1.00 1.89 C ATOM 956 OE1 GLU A 63 133.017 -16.925 8.230 1.00 2.50 O ATOM 957 OE2 GLU A 63 133.071 -18.824 7.213 1.00 2.41 O ATOM 0 H GLU A 63 130.822 -13.418 5.434 1.00 0.98 H new ATOM 0 HA GLU A 63 132.887 -14.718 7.024 1.00 1.07 H new ATOM 0 HB2 GLU A 63 131.444 -16.565 5.717 1.00 1.13 H new ATOM 0 HB3 GLU A 63 132.391 -16.027 4.344 1.00 1.13 H new ATOM 0 HG2 GLU A 63 133.862 -17.632 5.180 1.00 1.38 H new ATOM 0 HG3 GLU A 63 134.427 -16.251 6.098 1.00 1.38 H new ATOM 964 N TYR A 64 132.896 -13.570 3.919 1.00 0.88 N ATOM 965 CA TYR A 64 133.698 -12.709 3.009 1.00 0.92 C ATOM 966 C TYR A 64 132.790 -11.926 2.047 1.00 0.80 C ATOM 967 O TYR A 64 132.140 -10.978 2.437 1.00 0.86 O ATOM 968 CB TYR A 64 134.706 -13.562 2.233 1.00 1.06 C ATOM 969 CG TYR A 64 134.089 -14.872 1.815 1.00 1.10 C ATOM 970 CD1 TYR A 64 132.712 -14.968 1.653 1.00 1.74 C ATOM 971 CD2 TYR A 64 134.901 -15.986 1.584 1.00 1.58 C ATOM 972 CE1 TYR A 64 132.131 -16.178 1.257 1.00 1.85 C ATOM 973 CE2 TYR A 64 134.327 -17.201 1.189 1.00 1.68 C ATOM 974 CZ TYR A 64 132.940 -17.298 1.025 1.00 1.39 C ATOM 975 OH TYR A 64 132.372 -18.493 0.633 1.00 1.60 O ATOM 0 H TYR A 64 132.043 -13.956 3.515 1.00 0.88 H new ATOM 0 HA TYR A 64 134.244 -11.984 3.612 1.00 0.92 H new ATOM 0 HB2 TYR A 64 135.047 -13.018 1.352 1.00 1.06 H new ATOM 0 HB3 TYR A 64 135.583 -13.749 2.852 1.00 1.06 H new ATOM 0 HD1 TYR A 64 132.088 -14.105 1.833 1.00 1.74 H new ATOM 0 HD2 TYR A 64 135.971 -15.910 1.710 1.00 1.58 H new ATOM 0 HE1 TYR A 64 131.061 -16.248 1.130 1.00 1.85 H new ATOM 0 HE2 TYR A 64 134.954 -18.062 1.011 1.00 1.68 H new ATOM 0 HH TYR A 64 133.075 -19.166 0.514 1.00 1.60 H new ATOM 985 N SER A 65 132.746 -12.297 0.792 1.00 0.80 N ATOM 986 CA SER A 65 131.890 -11.551 -0.178 1.00 0.87 C ATOM 987 C SER A 65 130.409 -11.902 0.019 1.00 0.74 C ATOM 988 O SER A 65 129.568 -11.518 -0.770 1.00 0.94 O ATOM 989 CB SER A 65 132.306 -11.917 -1.601 1.00 1.14 C ATOM 990 OG SER A 65 133.353 -11.052 -2.023 1.00 1.60 O ATOM 0 H SER A 65 133.265 -13.082 0.399 1.00 0.80 H new ATOM 0 HA SER A 65 132.022 -10.482 -0.008 1.00 0.87 H new ATOM 0 HB2 SER A 65 132.638 -12.954 -1.639 1.00 1.14 H new ATOM 0 HB3 SER A 65 131.454 -11.830 -2.275 1.00 1.14 H new ATOM 0 HG SER A 65 134.054 -11.028 -1.338 1.00 1.60 H new ATOM 996 N ALA A 66 130.073 -12.614 1.059 1.00 0.64 N ATOM 997 CA ALA A 66 128.643 -12.963 1.287 1.00 0.71 C ATOM 998 C ALA A 66 127.901 -11.707 1.735 1.00 0.68 C ATOM 999 O ALA A 66 126.701 -11.589 1.591 1.00 0.87 O ATOM 1000 CB ALA A 66 128.544 -14.036 2.373 1.00 0.84 C ATOM 0 H ALA A 66 130.725 -12.968 1.759 1.00 0.64 H new ATOM 0 HA ALA A 66 128.201 -13.348 0.368 1.00 0.71 H new ATOM 0 HB1 ALA A 66 127.497 -14.290 2.539 1.00 0.84 H new ATOM 0 HB2 ALA A 66 129.088 -14.926 2.056 1.00 0.84 H new ATOM 0 HB3 ALA A 66 128.976 -13.657 3.299 1.00 0.84 H new ATOM 1006 N MET A 67 128.621 -10.762 2.267 1.00 0.60 N ATOM 1007 CA MET A 67 127.999 -9.497 2.722 1.00 0.65 C ATOM 1008 C MET A 67 127.728 -8.615 1.505 1.00 0.76 C ATOM 1009 O MET A 67 126.598 -8.389 1.122 1.00 0.88 O ATOM 1010 CB MET A 67 128.983 -8.812 3.661 1.00 0.76 C ATOM 1011 CG MET A 67 129.479 -9.830 4.691 1.00 1.05 C ATOM 1012 SD MET A 67 131.288 -9.792 4.756 1.00 1.40 S ATOM 1013 CE MET A 67 131.497 -11.047 6.043 1.00 1.16 C ATOM 0 H MET A 67 129.630 -10.817 2.407 1.00 0.60 H new ATOM 0 HA MET A 67 127.057 -9.681 3.239 1.00 0.65 H new ATOM 0 HB2 MET A 67 129.823 -8.408 3.096 1.00 0.76 H new ATOM 0 HB3 MET A 67 128.502 -7.972 4.163 1.00 0.76 H new ATOM 0 HG2 MET A 67 129.064 -9.601 5.673 1.00 1.05 H new ATOM 0 HG3 MET A 67 129.135 -10.829 4.425 1.00 1.05 H new ATOM 0 HE1 MET A 67 132.149 -10.660 6.826 1.00 1.16 H new ATOM 0 HE2 MET A 67 130.525 -11.296 6.470 1.00 1.16 H new ATOM 0 HE3 MET A 67 131.943 -11.942 5.609 1.00 1.16 H new ATOM 1023 N ARG A 68 128.763 -8.120 0.898 1.00 0.91 N ATOM 1024 CA ARG A 68 128.607 -7.254 -0.289 1.00 1.13 C ATOM 1025 C ARG A 68 128.607 -8.103 -1.565 1.00 0.96 C ATOM 1026 O ARG A 68 129.410 -7.903 -2.445 1.00 1.11 O ATOM 1027 CB ARG A 68 129.794 -6.308 -0.322 1.00 1.58 C ATOM 1028 CG ARG A 68 129.299 -4.881 -0.433 1.00 2.78 C ATOM 1029 CD ARG A 68 130.110 -4.183 -1.505 1.00 3.65 C ATOM 1030 NE ARG A 68 129.369 -4.273 -2.782 1.00 4.70 N ATOM 1031 CZ ARG A 68 128.859 -5.416 -3.151 1.00 5.62 C ATOM 1032 NH1 ARG A 68 127.715 -5.832 -2.662 1.00 6.34 N ATOM 1033 NH2 ARG A 68 129.487 -6.155 -4.011 1.00 6.11 N ATOM 0 H ARG A 68 129.729 -8.284 1.182 1.00 0.91 H new ATOM 0 HA ARG A 68 127.666 -6.706 -0.235 1.00 1.13 H new ATOM 0 HB2 ARG A 68 130.393 -6.427 0.581 1.00 1.58 H new ATOM 0 HB3 ARG A 68 130.440 -6.547 -1.167 1.00 1.58 H new ATOM 0 HG2 ARG A 68 128.239 -4.865 -0.687 1.00 2.78 H new ATOM 0 HG3 ARG A 68 129.406 -4.366 0.521 1.00 2.78 H new ATOM 0 HD2 ARG A 68 130.277 -3.140 -1.236 1.00 3.65 H new ATOM 0 HD3 ARG A 68 131.091 -4.648 -1.602 1.00 3.65 H new ATOM 0 HE ARG A 68 129.257 -3.447 -3.370 1.00 4.70 H new ATOM 0 HH11 ARG A 68 127.212 -5.260 -1.984 1.00 6.34 H new ATOM 0 HH12 ARG A 68 127.329 -6.728 -2.960 1.00 6.34 H new ATOM 0 HH21 ARG A 68 130.378 -5.843 -4.398 1.00 6.11 H new ATOM 0 HH22 ARG A 68 129.090 -7.049 -4.301 1.00 6.11 H new ATOM 1047 N ASP A 69 127.733 -9.060 -1.667 1.00 1.28 N ATOM 1048 CA ASP A 69 127.703 -9.911 -2.894 1.00 1.39 C ATOM 1049 C ASP A 69 126.664 -9.397 -3.896 1.00 1.08 C ATOM 1050 O ASP A 69 126.594 -9.858 -5.019 1.00 1.06 O ATOM 1051 CB ASP A 69 127.345 -11.342 -2.500 1.00 2.05 C ATOM 1052 CG ASP A 69 128.336 -12.317 -3.137 1.00 2.54 C ATOM 1053 OD1 ASP A 69 128.682 -12.113 -4.289 1.00 2.84 O ATOM 1054 OD2 ASP A 69 128.731 -13.254 -2.462 1.00 3.10 O ATOM 0 H ASP A 69 127.038 -9.293 -0.958 1.00 1.28 H new ATOM 0 HA ASP A 69 128.686 -9.876 -3.363 1.00 1.39 H new ATOM 0 HB2 ASP A 69 127.364 -11.446 -1.415 1.00 2.05 H new ATOM 0 HB3 ASP A 69 126.331 -11.576 -2.825 1.00 2.05 H new ATOM 1059 N GLN A 70 125.819 -8.497 -3.487 1.00 1.17 N ATOM 1060 CA GLN A 70 124.743 -8.015 -4.405 1.00 1.27 C ATOM 1061 C GLN A 70 125.197 -6.853 -5.300 1.00 1.03 C ATOM 1062 O GLN A 70 124.395 -6.297 -6.025 1.00 1.26 O ATOM 1063 CB GLN A 70 123.550 -7.558 -3.566 1.00 1.79 C ATOM 1064 CG GLN A 70 122.755 -8.781 -3.105 1.00 2.22 C ATOM 1065 CD GLN A 70 121.269 -8.567 -3.396 1.00 2.73 C ATOM 1066 OE1 GLN A 70 120.665 -7.644 -2.887 1.00 3.09 O ATOM 1067 NE2 GLN A 70 120.649 -9.389 -4.198 1.00 3.36 N ATOM 0 H GLN A 70 125.823 -8.072 -2.560 1.00 1.17 H new ATOM 0 HA GLN A 70 124.477 -8.844 -5.061 1.00 1.27 H new ATOM 0 HB2 GLN A 70 123.895 -6.988 -2.703 1.00 1.79 H new ATOM 0 HB3 GLN A 70 122.912 -6.895 -4.151 1.00 1.79 H new ATOM 0 HG2 GLN A 70 123.112 -9.674 -3.619 1.00 2.22 H new ATOM 0 HG3 GLN A 70 122.907 -8.945 -2.038 1.00 2.22 H new ATOM 0 HE21 GLN A 70 121.156 -10.164 -4.625 1.00 3.36 H new ATOM 0 HE22 GLN A 70 119.657 -9.256 -4.397 1.00 3.36 H new ATOM 1076 N TYR A 71 126.441 -6.456 -5.278 1.00 0.72 N ATOM 1077 CA TYR A 71 126.838 -5.325 -6.148 1.00 0.65 C ATOM 1078 C TYR A 71 128.189 -5.640 -6.808 1.00 0.57 C ATOM 1079 O TYR A 71 128.700 -4.869 -7.594 1.00 0.73 O ATOM 1080 CB TYR A 71 126.913 -4.074 -5.271 1.00 0.74 C ATOM 1081 CG TYR A 71 127.951 -3.112 -5.769 1.00 0.82 C ATOM 1082 CD1 TYR A 71 129.285 -3.447 -5.628 1.00 1.23 C ATOM 1083 CD2 TYR A 71 127.581 -1.893 -6.343 1.00 1.92 C ATOM 1084 CE1 TYR A 71 130.277 -2.571 -6.062 1.00 1.71 C ATOM 1085 CE2 TYR A 71 128.571 -1.008 -6.784 1.00 2.52 C ATOM 1086 CZ TYR A 71 129.923 -1.349 -6.642 1.00 2.17 C ATOM 1087 OH TYR A 71 130.903 -0.481 -7.073 1.00 2.93 O ATOM 0 H TYR A 71 127.183 -6.860 -4.706 1.00 0.72 H new ATOM 0 HA TYR A 71 126.116 -5.160 -6.948 1.00 0.65 H new ATOM 0 HB2 TYR A 71 125.940 -3.583 -5.253 1.00 0.74 H new ATOM 0 HB3 TYR A 71 127.145 -4.361 -4.245 1.00 0.74 H new ATOM 0 HD1 TYR A 71 129.559 -4.391 -5.180 1.00 1.23 H new ATOM 0 HD2 TYR A 71 126.537 -1.635 -6.446 1.00 1.92 H new ATOM 0 HE1 TYR A 71 131.318 -2.835 -5.951 1.00 1.71 H new ATOM 0 HE2 TYR A 71 128.294 -0.065 -7.232 1.00 2.52 H new ATOM 0 HH TYR A 71 131.782 -0.818 -6.800 1.00 2.93 H new ATOM 1097 N MET A 72 128.777 -6.761 -6.488 1.00 0.50 N ATOM 1098 CA MET A 72 130.095 -7.107 -7.079 1.00 0.62 C ATOM 1099 C MET A 72 130.008 -7.078 -8.611 1.00 0.68 C ATOM 1100 O MET A 72 130.982 -6.823 -9.291 1.00 0.83 O ATOM 1101 CB MET A 72 130.498 -8.520 -6.644 1.00 0.83 C ATOM 1102 CG MET A 72 130.393 -8.661 -5.125 1.00 0.99 C ATOM 1103 SD MET A 72 131.306 -10.127 -4.584 1.00 1.46 S ATOM 1104 CE MET A 72 132.853 -9.286 -4.167 1.00 1.15 C ATOM 0 H MET A 72 128.398 -7.452 -5.841 1.00 0.50 H new ATOM 0 HA MET A 72 130.833 -6.381 -6.736 1.00 0.62 H new ATOM 0 HB2 MET A 72 129.854 -9.254 -7.129 1.00 0.83 H new ATOM 0 HB3 MET A 72 131.518 -8.729 -6.965 1.00 0.83 H new ATOM 0 HG2 MET A 72 130.794 -7.771 -4.639 1.00 0.99 H new ATOM 0 HG3 MET A 72 129.347 -8.742 -4.829 1.00 0.99 H new ATOM 0 HE1 MET A 72 133.678 -9.996 -4.218 1.00 1.15 H new ATOM 0 HE2 MET A 72 133.028 -8.475 -4.874 1.00 1.15 H new ATOM 0 HE3 MET A 72 132.786 -8.880 -3.158 1.00 1.15 H new ATOM 1114 N ARG A 73 128.856 -7.365 -9.157 1.00 0.66 N ATOM 1115 CA ARG A 73 128.713 -7.380 -10.645 1.00 0.86 C ATOM 1116 C ARG A 73 129.220 -6.064 -11.239 1.00 0.85 C ATOM 1117 O ARG A 73 129.709 -6.022 -12.351 1.00 1.18 O ATOM 1118 CB ARG A 73 127.240 -7.571 -11.015 1.00 0.93 C ATOM 1119 CG ARG A 73 126.684 -8.795 -10.284 1.00 1.47 C ATOM 1120 CD ARG A 73 125.791 -9.596 -11.234 1.00 2.08 C ATOM 1121 NE ARG A 73 124.659 -10.192 -10.469 1.00 2.43 N ATOM 1122 CZ ARG A 73 123.573 -10.566 -11.091 1.00 2.87 C ATOM 1123 NH1 ARG A 73 123.097 -9.843 -12.067 1.00 3.44 N ATOM 1124 NH2 ARG A 73 122.962 -11.664 -10.737 1.00 3.32 N ATOM 0 H ARG A 73 128.007 -7.590 -8.638 1.00 0.66 H new ATOM 0 HA ARG A 73 129.304 -8.202 -11.048 1.00 0.86 H new ATOM 0 HB2 ARG A 73 126.668 -6.683 -10.746 1.00 0.93 H new ATOM 0 HB3 ARG A 73 127.139 -7.701 -12.092 1.00 0.93 H new ATOM 0 HG2 ARG A 73 127.502 -9.419 -9.924 1.00 1.47 H new ATOM 0 HG3 ARG A 73 126.114 -8.481 -9.410 1.00 1.47 H new ATOM 0 HD2 ARG A 73 125.409 -8.949 -12.024 1.00 2.08 H new ATOM 0 HD3 ARG A 73 126.370 -10.382 -11.718 1.00 2.08 H new ATOM 0 HE ARG A 73 124.733 -10.308 -9.458 1.00 2.43 H new ATOM 0 HH11 ARG A 73 123.573 -8.985 -12.345 1.00 3.44 H new ATOM 0 HH12 ARG A 73 122.249 -10.136 -12.552 1.00 3.44 H new ATOM 0 HH21 ARG A 73 123.333 -12.231 -9.974 1.00 3.32 H new ATOM 0 HH22 ARG A 73 122.114 -11.955 -11.223 1.00 3.32 H new ATOM 1138 N THR A 74 129.102 -4.990 -10.514 1.00 0.67 N ATOM 1139 CA THR A 74 129.572 -3.678 -11.044 1.00 0.80 C ATOM 1140 C THR A 74 130.753 -3.165 -10.215 1.00 0.70 C ATOM 1141 O THR A 74 131.267 -2.093 -10.467 1.00 1.11 O ATOM 1142 CB THR A 74 128.433 -2.659 -11.000 1.00 0.97 C ATOM 1143 OG1 THR A 74 128.966 -1.359 -10.791 1.00 1.15 O ATOM 1144 CG2 THR A 74 127.479 -3.017 -9.870 1.00 1.02 C ATOM 0 H THR A 74 128.701 -4.961 -9.577 1.00 0.67 H new ATOM 0 HA THR A 74 129.894 -3.814 -12.076 1.00 0.80 H new ATOM 0 HB THR A 74 127.891 -2.674 -11.946 1.00 0.97 H new ATOM 0 HG1 THR A 74 129.848 -1.295 -11.214 1.00 1.15 H new ATOM 0 HG21 THR A 74 126.666 -2.292 -9.837 1.00 1.02 H new ATOM 0 HG22 THR A 74 127.070 -4.013 -10.041 1.00 1.02 H new ATOM 0 HG23 THR A 74 128.017 -3.003 -8.922 1.00 1.02 H new ATOM 1152 N GLY A 75 131.180 -3.917 -9.228 1.00 0.47 N ATOM 1153 CA GLY A 75 132.331 -3.475 -8.377 1.00 0.41 C ATOM 1154 C GLY A 75 133.353 -2.717 -9.220 1.00 0.39 C ATOM 1155 O GLY A 75 134.212 -3.294 -9.854 1.00 0.61 O ATOM 0 H GLY A 75 130.780 -4.820 -8.975 1.00 0.47 H new ATOM 0 HA2 GLY A 75 131.971 -2.837 -7.569 1.00 0.41 H new ATOM 0 HA3 GLY A 75 132.803 -4.341 -7.913 1.00 0.41 H new ATOM 1159 N GLU A 76 133.256 -1.420 -9.231 1.00 0.32 N ATOM 1160 CA GLU A 76 134.206 -0.605 -10.032 1.00 0.35 C ATOM 1161 C GLU A 76 135.541 -0.485 -9.301 1.00 0.34 C ATOM 1162 O GLU A 76 136.578 -0.370 -9.920 1.00 0.41 O ATOM 1163 CB GLU A 76 133.621 0.791 -10.257 1.00 0.43 C ATOM 1164 CG GLU A 76 134.114 1.343 -11.595 1.00 0.55 C ATOM 1165 CD GLU A 76 133.311 0.712 -12.733 1.00 1.46 C ATOM 1166 OE1 GLU A 76 133.649 -0.392 -13.128 1.00 2.19 O ATOM 1167 OE2 GLU A 76 132.372 1.343 -13.190 1.00 2.15 O ATOM 0 H GLU A 76 132.555 -0.886 -8.717 1.00 0.32 H new ATOM 0 HA GLU A 76 134.368 -1.093 -10.993 1.00 0.35 H new ATOM 0 HB2 GLU A 76 132.532 0.746 -10.250 1.00 0.43 H new ATOM 0 HB3 GLU A 76 133.918 1.456 -9.446 1.00 0.43 H new ATOM 0 HG2 GLU A 76 134.004 2.427 -11.616 1.00 0.55 H new ATOM 0 HG3 GLU A 76 135.175 1.127 -11.721 1.00 0.55 H new ATOM 1174 N GLY A 77 135.541 -0.506 -7.993 1.00 0.28 N ATOM 1175 CA GLY A 77 136.845 -0.385 -7.270 1.00 0.30 C ATOM 1176 C GLY A 77 136.673 -0.828 -5.819 1.00 0.27 C ATOM 1177 O GLY A 77 135.707 -0.490 -5.180 1.00 0.35 O ATOM 0 H GLY A 77 134.714 -0.600 -7.403 1.00 0.28 H new ATOM 0 HA2 GLY A 77 137.602 -0.998 -7.760 1.00 0.30 H new ATOM 0 HA3 GLY A 77 137.197 0.646 -7.306 1.00 0.30 H new ATOM 1181 N PHE A 78 137.592 -1.594 -5.290 1.00 0.22 N ATOM 1182 CA PHE A 78 137.431 -2.062 -3.882 1.00 0.21 C ATOM 1183 C PHE A 78 138.459 -1.415 -2.949 1.00 0.21 C ATOM 1184 O PHE A 78 139.654 -1.454 -3.177 1.00 0.23 O ATOM 1185 CB PHE A 78 137.571 -3.582 -3.844 1.00 0.25 C ATOM 1186 CG PHE A 78 136.625 -4.159 -4.865 1.00 0.25 C ATOM 1187 CD1 PHE A 78 136.975 -4.152 -6.218 1.00 1.25 C ATOM 1188 CD2 PHE A 78 135.379 -4.648 -4.465 1.00 1.20 C ATOM 1189 CE1 PHE A 78 136.080 -4.650 -7.173 1.00 1.28 C ATOM 1190 CE2 PHE A 78 134.476 -5.139 -5.419 1.00 1.19 C ATOM 1191 CZ PHE A 78 134.831 -5.143 -6.774 1.00 0.29 C ATOM 0 H PHE A 78 138.437 -1.912 -5.765 1.00 0.22 H new ATOM 0 HA PHE A 78 136.442 -1.767 -3.531 1.00 0.21 H new ATOM 0 HB2 PHE A 78 138.597 -3.876 -4.065 1.00 0.25 H new ATOM 0 HB3 PHE A 78 137.337 -3.962 -2.849 1.00 0.25 H new ATOM 0 HD1 PHE A 78 137.934 -3.763 -6.527 1.00 1.25 H new ATOM 0 HD2 PHE A 78 135.111 -4.648 -3.419 1.00 1.20 H new ATOM 0 HE1 PHE A 78 136.353 -4.654 -8.218 1.00 1.28 H new ATOM 0 HE2 PHE A 78 133.511 -5.513 -5.110 1.00 1.19 H new ATOM 0 HZ PHE A 78 134.141 -5.526 -7.511 1.00 0.29 H new ATOM 1201 N LEU A 79 137.977 -0.830 -1.885 1.00 0.22 N ATOM 1202 CA LEU A 79 138.872 -0.175 -0.893 1.00 0.21 C ATOM 1203 C LEU A 79 139.015 -1.090 0.332 1.00 0.21 C ATOM 1204 O LEU A 79 138.038 -1.455 0.954 1.00 0.22 O ATOM 1205 CB LEU A 79 138.251 1.163 -0.472 1.00 0.22 C ATOM 1206 CG LEU A 79 139.351 2.174 -0.147 1.00 0.21 C ATOM 1207 CD1 LEU A 79 140.411 1.521 0.740 1.00 0.22 C ATOM 1208 CD2 LEU A 79 139.991 2.641 -1.455 1.00 0.22 C ATOM 0 H LEU A 79 136.983 -0.779 -1.660 1.00 0.22 H new ATOM 0 HA LEU A 79 139.855 0.001 -1.330 1.00 0.21 H new ATOM 0 HB2 LEU A 79 137.618 1.547 -1.272 1.00 0.22 H new ATOM 0 HB3 LEU A 79 137.611 1.018 0.398 1.00 0.22 H new ATOM 0 HG LEU A 79 138.924 3.025 0.383 1.00 0.21 H new ATOM 0 HD11 LEU A 79 141.192 2.246 0.968 1.00 0.22 H new ATOM 0 HD12 LEU A 79 139.950 1.181 1.667 1.00 0.22 H new ATOM 0 HD13 LEU A 79 140.848 0.670 0.218 1.00 0.22 H new ATOM 0 HD21 LEU A 79 140.778 3.363 -1.237 1.00 0.22 H new ATOM 0 HD22 LEU A 79 140.418 1.785 -1.977 1.00 0.22 H new ATOM 0 HD23 LEU A 79 139.234 3.108 -2.084 1.00 0.22 H new ATOM 1220 N CYS A 80 140.214 -1.479 0.676 1.00 0.24 N ATOM 1221 CA CYS A 80 140.395 -2.384 1.845 1.00 0.25 C ATOM 1222 C CYS A 80 140.551 -1.559 3.124 1.00 0.25 C ATOM 1223 O CYS A 80 141.581 -0.970 3.377 1.00 0.32 O ATOM 1224 CB CYS A 80 141.645 -3.231 1.620 1.00 0.32 C ATOM 1225 SG CYS A 80 141.358 -4.367 0.240 1.00 0.47 S ATOM 0 H CYS A 80 141.074 -1.209 0.198 1.00 0.24 H new ATOM 0 HA CYS A 80 139.523 -3.030 1.950 1.00 0.25 H new ATOM 0 HB2 CYS A 80 142.499 -2.589 1.406 1.00 0.32 H new ATOM 0 HB3 CYS A 80 141.886 -3.791 2.523 1.00 0.32 H new ATOM 0 HG CYS A 80 141.757 -3.815 -0.867 1.00 0.47 H new ATOM 1231 N VAL A 81 139.522 -1.513 3.924 1.00 0.23 N ATOM 1232 CA VAL A 81 139.570 -0.721 5.189 1.00 0.28 C ATOM 1233 C VAL A 81 140.176 -1.529 6.322 1.00 0.24 C ATOM 1234 O VAL A 81 139.593 -1.639 7.357 1.00 0.31 O ATOM 1235 CB VAL A 81 138.142 -0.345 5.582 1.00 0.36 C ATOM 1236 CG1 VAL A 81 137.357 -1.617 5.909 1.00 0.78 C ATOM 1237 CG2 VAL A 81 138.178 0.557 6.815 1.00 0.77 C ATOM 0 H VAL A 81 138.639 -1.995 3.755 1.00 0.23 H new ATOM 0 HA VAL A 81 140.184 0.163 5.020 1.00 0.28 H new ATOM 0 HB VAL A 81 137.661 0.181 4.757 1.00 0.36 H new ATOM 0 HG11 VAL A 81 136.337 -1.353 6.190 1.00 0.78 H new ATOM 0 HG12 VAL A 81 137.336 -2.267 5.034 1.00 0.78 H new ATOM 0 HG13 VAL A 81 137.838 -2.139 6.736 1.00 0.78 H new ATOM 0 HG21 VAL A 81 137.161 0.827 7.098 1.00 0.77 H new ATOM 0 HG22 VAL A 81 138.656 0.027 7.639 1.00 0.77 H new ATOM 0 HG23 VAL A 81 138.744 1.461 6.588 1.00 0.77 H new ATOM 1247 N PHE A 82 141.342 -2.068 6.185 1.00 0.21 N ATOM 1248 CA PHE A 82 141.891 -2.834 7.330 1.00 0.22 C ATOM 1249 C PHE A 82 142.517 -1.859 8.305 1.00 0.21 C ATOM 1250 O PHE A 82 142.984 -0.817 7.917 1.00 0.30 O ATOM 1251 CB PHE A 82 142.964 -3.783 6.843 1.00 0.25 C ATOM 1252 CG PHE A 82 144.076 -2.958 6.269 1.00 0.29 C ATOM 1253 CD1 PHE A 82 144.982 -2.316 7.124 1.00 1.26 C ATOM 1254 CD2 PHE A 82 144.191 -2.819 4.889 1.00 1.25 C ATOM 1255 CE1 PHE A 82 146.014 -1.537 6.588 1.00 1.32 C ATOM 1256 CE2 PHE A 82 145.219 -2.042 4.353 1.00 1.30 C ATOM 1257 CZ PHE A 82 146.132 -1.401 5.200 1.00 0.59 C ATOM 0 H PHE A 82 141.930 -2.017 5.353 1.00 0.21 H new ATOM 0 HA PHE A 82 141.092 -3.400 7.808 1.00 0.22 H new ATOM 0 HB2 PHE A 82 143.330 -4.400 7.664 1.00 0.25 H new ATOM 0 HB3 PHE A 82 142.562 -4.460 6.090 1.00 0.25 H new ATOM 0 HD1 PHE A 82 144.884 -2.422 8.194 1.00 1.26 H new ATOM 0 HD2 PHE A 82 143.487 -3.311 4.235 1.00 1.25 H new ATOM 0 HE1 PHE A 82 146.716 -1.043 7.243 1.00 1.32 H new ATOM 0 HE2 PHE A 82 145.311 -1.935 3.282 1.00 1.30 H new ATOM 0 HZ PHE A 82 146.927 -0.802 4.782 1.00 0.59 H new ATOM 1267 N ALA A 83 142.565 -2.199 9.554 1.00 0.23 N ATOM 1268 CA ALA A 83 143.196 -1.286 10.531 1.00 0.23 C ATOM 1269 C ALA A 83 144.603 -1.780 10.836 1.00 0.21 C ATOM 1270 O ALA A 83 144.838 -2.968 10.943 1.00 0.22 O ATOM 1271 CB ALA A 83 142.398 -1.250 11.838 1.00 0.26 C ATOM 0 H ALA A 83 142.195 -3.068 9.940 1.00 0.23 H new ATOM 0 HA ALA A 83 143.221 -0.284 10.102 1.00 0.23 H new ATOM 0 HB1 ALA A 83 142.882 -0.572 12.541 1.00 0.26 H new ATOM 0 HB2 ALA A 83 141.385 -0.902 11.636 1.00 0.26 H new ATOM 0 HB3 ALA A 83 142.359 -2.251 12.268 1.00 0.26 H new ATOM 1277 N ILE A 84 145.541 -0.896 11.009 1.00 0.23 N ATOM 1278 CA ILE A 84 146.903 -1.358 11.344 1.00 0.23 C ATOM 1279 C ILE A 84 146.892 -1.833 12.793 1.00 0.23 C ATOM 1280 O ILE A 84 147.862 -2.363 13.291 1.00 0.27 O ATOM 1281 CB ILE A 84 147.904 -0.221 11.172 1.00 0.27 C ATOM 1282 CG1 ILE A 84 147.559 0.930 12.146 1.00 0.34 C ATOM 1283 CG2 ILE A 84 147.884 0.244 9.712 1.00 0.30 C ATOM 1284 CD1 ILE A 84 146.743 2.033 11.456 1.00 0.86 C ATOM 0 H ILE A 84 145.422 0.114 10.933 1.00 0.23 H new ATOM 0 HA ILE A 84 147.200 -2.170 10.680 1.00 0.23 H new ATOM 0 HB ILE A 84 148.912 -0.562 11.409 1.00 0.27 H new ATOM 0 HG12 ILE A 84 146.995 0.535 12.991 1.00 0.34 H new ATOM 0 HG13 ILE A 84 148.479 1.355 12.547 1.00 0.34 H new ATOM 0 HG21 ILE A 84 148.597 1.058 9.579 1.00 0.30 H new ATOM 0 HG22 ILE A 84 148.157 -0.587 9.062 1.00 0.30 H new ATOM 0 HG23 ILE A 84 146.884 0.593 9.455 1.00 0.30 H new ATOM 0 HD11 ILE A 84 146.520 2.823 12.173 1.00 0.86 H new ATOM 0 HD12 ILE A 84 147.318 2.446 10.627 1.00 0.86 H new ATOM 0 HD13 ILE A 84 145.811 1.613 11.078 1.00 0.86 H new ATOM 1296 N ASN A 85 145.786 -1.663 13.470 1.00 0.23 N ATOM 1297 CA ASN A 85 145.700 -2.121 14.876 1.00 0.27 C ATOM 1298 C ASN A 85 145.002 -3.485 14.921 1.00 0.24 C ATOM 1299 O ASN A 85 144.863 -4.081 15.970 1.00 0.29 O ATOM 1300 CB ASN A 85 144.920 -1.107 15.719 1.00 0.34 C ATOM 1301 CG ASN A 85 143.916 -0.350 14.848 1.00 1.09 C ATOM 1302 OD1 ASN A 85 142.756 -0.708 14.783 1.00 1.87 O ATOM 1303 ND2 ASN A 85 144.317 0.690 14.169 1.00 1.29 N ATOM 0 H ASN A 85 144.941 -1.225 13.104 1.00 0.23 H new ATOM 0 HA ASN A 85 146.706 -2.211 15.286 1.00 0.27 H new ATOM 0 HB2 ASN A 85 144.397 -1.621 16.525 1.00 0.34 H new ATOM 0 HB3 ASN A 85 145.610 -0.404 16.184 1.00 0.34 H new ATOM 0 HD21 ASN A 85 143.657 1.202 13.584 1.00 1.29 H new ATOM 0 HD22 ASN A 85 145.290 0.990 14.224 1.00 1.29 H new ATOM 1310 N ASN A 86 144.574 -4.000 13.791 1.00 0.23 N ATOM 1311 CA ASN A 86 143.912 -5.323 13.792 1.00 0.26 C ATOM 1312 C ASN A 86 144.422 -6.163 12.615 1.00 0.27 C ATOM 1313 O ASN A 86 143.808 -6.236 11.557 1.00 0.32 O ATOM 1314 CB ASN A 86 142.409 -5.154 13.673 1.00 0.29 C ATOM 1315 CG ASN A 86 142.079 -4.242 12.504 1.00 0.59 C ATOM 1316 OD1 ASN A 86 142.835 -4.141 11.558 1.00 1.34 O ATOM 1317 ND2 ASN A 86 140.975 -3.561 12.528 1.00 1.27 N ATOM 0 H ASN A 86 144.659 -3.555 12.877 1.00 0.23 H new ATOM 0 HA ASN A 86 144.145 -5.829 14.729 1.00 0.26 H new ATOM 0 HB2 ASN A 86 141.936 -6.126 13.532 1.00 0.29 H new ATOM 0 HB3 ASN A 86 142.008 -4.735 14.596 1.00 0.29 H new ATOM 0 HD21 ASN A 86 140.741 -2.941 11.753 1.00 1.27 H new ATOM 0 HD22 ASN A 86 140.341 -3.646 13.322 1.00 1.27 H new ATOM 1324 N THR A 87 145.537 -6.813 12.782 1.00 0.27 N ATOM 1325 CA THR A 87 146.060 -7.638 11.674 1.00 0.29 C ATOM 1326 C THR A 87 144.922 -8.547 11.210 1.00 0.30 C ATOM 1327 O THR A 87 144.843 -8.923 10.069 1.00 0.33 O ATOM 1328 CB THR A 87 147.261 -8.458 12.161 1.00 0.36 C ATOM 1329 OG1 THR A 87 148.189 -8.604 11.095 1.00 0.64 O ATOM 1330 CG2 THR A 87 146.810 -9.841 12.600 1.00 0.46 C ATOM 0 H THR A 87 146.101 -6.806 13.632 1.00 0.27 H new ATOM 0 HA THR A 87 146.402 -7.019 10.845 1.00 0.29 H new ATOM 0 HB THR A 87 147.722 -7.941 13.003 1.00 0.36 H new ATOM 0 HG1 THR A 87 148.960 -9.126 11.401 1.00 0.64 H new ATOM 0 HG21 THR A 87 147.672 -10.413 12.943 1.00 0.46 H new ATOM 0 HG22 THR A 87 146.089 -9.748 13.412 1.00 0.46 H new ATOM 0 HG23 THR A 87 146.345 -10.356 11.759 1.00 0.46 H new ATOM 1338 N LYS A 88 144.044 -8.893 12.111 1.00 0.32 N ATOM 1339 CA LYS A 88 142.892 -9.779 11.753 1.00 0.35 C ATOM 1340 C LYS A 88 142.350 -9.396 10.373 1.00 0.34 C ATOM 1341 O LYS A 88 142.605 -10.075 9.398 1.00 0.35 O ATOM 1342 CB LYS A 88 141.785 -9.631 12.796 1.00 0.39 C ATOM 1343 CG LYS A 88 140.710 -10.689 12.546 1.00 0.55 C ATOM 1344 CD LYS A 88 139.778 -10.765 13.756 1.00 1.30 C ATOM 1345 CE LYS A 88 138.727 -11.852 13.525 1.00 1.78 C ATOM 1346 NZ LYS A 88 138.723 -12.791 14.681 1.00 2.34 N ATOM 0 H LYS A 88 144.073 -8.600 13.087 1.00 0.32 H new ATOM 0 HA LYS A 88 143.232 -10.814 11.730 1.00 0.35 H new ATOM 0 HB2 LYS A 88 142.197 -9.745 13.799 1.00 0.39 H new ATOM 0 HB3 LYS A 88 141.349 -8.633 12.741 1.00 0.39 H new ATOM 0 HG2 LYS A 88 140.141 -10.440 11.650 1.00 0.55 H new ATOM 0 HG3 LYS A 88 141.174 -11.659 12.369 1.00 0.55 H new ATOM 0 HD2 LYS A 88 140.351 -10.985 14.657 1.00 1.30 H new ATOM 0 HD3 LYS A 88 139.292 -9.802 13.915 1.00 1.30 H new ATOM 0 HE2 LYS A 88 137.742 -11.401 13.405 1.00 1.78 H new ATOM 0 HE3 LYS A 88 138.944 -12.393 12.604 1.00 1.78 H new ATOM 0 HZ1 LYS A 88 138.009 -13.531 14.525 1.00 2.34 H new ATOM 0 HZ2 LYS A 88 139.661 -13.230 14.775 1.00 2.34 H new ATOM 0 HZ3 LYS A 88 138.496 -12.269 15.551 1.00 2.34 H new ATOM 1360 N SER A 89 141.622 -8.307 10.271 1.00 0.33 N ATOM 1361 CA SER A 89 141.099 -7.888 8.936 1.00 0.33 C ATOM 1362 C SER A 89 142.238 -8.026 7.947 1.00 0.31 C ATOM 1363 O SER A 89 142.081 -8.539 6.863 1.00 0.32 O ATOM 1364 CB SER A 89 140.659 -6.440 8.995 1.00 0.34 C ATOM 1365 OG SER A 89 141.793 -5.598 8.836 1.00 0.44 O ATOM 0 H SER A 89 141.371 -7.697 11.049 1.00 0.33 H new ATOM 0 HA SER A 89 140.247 -8.501 8.642 1.00 0.33 H new ATOM 0 HB2 SER A 89 139.929 -6.238 8.212 1.00 0.34 H new ATOM 0 HB3 SER A 89 140.170 -6.235 9.947 1.00 0.34 H new ATOM 0 HG SER A 89 142.081 -5.268 9.713 1.00 0.44 H new ATOM 1371 N PHE A 90 143.391 -7.561 8.327 1.00 0.29 N ATOM 1372 CA PHE A 90 144.570 -7.679 7.431 1.00 0.29 C ATOM 1373 C PHE A 90 144.627 -9.075 6.793 1.00 0.31 C ATOM 1374 O PHE A 90 144.692 -9.197 5.591 1.00 0.37 O ATOM 1375 CB PHE A 90 145.839 -7.417 8.254 1.00 0.29 C ATOM 1376 CG PHE A 90 146.621 -6.293 7.646 1.00 0.28 C ATOM 1377 CD1 PHE A 90 145.980 -5.349 6.859 1.00 1.21 C ATOM 1378 CD2 PHE A 90 147.994 -6.209 7.857 1.00 1.18 C ATOM 1379 CE1 PHE A 90 146.706 -4.321 6.282 1.00 1.22 C ATOM 1380 CE2 PHE A 90 148.726 -5.169 7.278 1.00 1.20 C ATOM 1381 CZ PHE A 90 148.072 -4.224 6.486 1.00 0.37 C ATOM 0 H PHE A 90 143.569 -7.103 9.221 1.00 0.29 H new ATOM 0 HA PHE A 90 144.492 -6.947 6.627 1.00 0.29 H new ATOM 0 HB2 PHE A 90 145.572 -7.171 9.282 1.00 0.29 H new ATOM 0 HB3 PHE A 90 146.451 -8.318 8.291 1.00 0.29 H new ATOM 0 HD1 PHE A 90 144.914 -5.415 6.696 1.00 1.21 H new ATOM 0 HD2 PHE A 90 148.493 -6.947 8.468 1.00 1.18 H new ATOM 0 HE1 PHE A 90 146.203 -3.589 5.668 1.00 1.22 H new ATOM 0 HE2 PHE A 90 149.791 -5.097 7.442 1.00 1.20 H new ATOM 0 HZ PHE A 90 148.631 -3.418 6.033 1.00 0.37 H new ATOM 1391 N GLU A 91 144.589 -10.131 7.558 1.00 0.33 N ATOM 1392 CA GLU A 91 144.622 -11.475 6.926 1.00 0.37 C ATOM 1393 C GLU A 91 143.369 -11.595 6.067 1.00 0.36 C ATOM 1394 O GLU A 91 143.337 -12.280 5.064 1.00 0.39 O ATOM 1395 CB GLU A 91 144.615 -12.559 8.008 1.00 0.43 C ATOM 1396 CG GLU A 91 145.806 -12.353 8.946 1.00 0.54 C ATOM 1397 CD GLU A 91 146.371 -13.714 9.359 1.00 1.01 C ATOM 1398 OE1 GLU A 91 146.983 -14.358 8.522 1.00 1.57 O ATOM 1399 OE2 GLU A 91 146.184 -14.088 10.505 1.00 1.75 O ATOM 0 H GLU A 91 144.537 -10.121 8.577 1.00 0.33 H new ATOM 0 HA GLU A 91 145.522 -11.600 6.324 1.00 0.37 H new ATOM 0 HB2 GLU A 91 143.683 -12.518 8.572 1.00 0.43 H new ATOM 0 HB3 GLU A 91 144.667 -13.546 7.549 1.00 0.43 H new ATOM 0 HG2 GLU A 91 146.576 -11.763 8.449 1.00 0.54 H new ATOM 0 HG3 GLU A 91 145.495 -11.793 9.828 1.00 0.54 H new ATOM 1406 N ASP A 92 142.337 -10.918 6.479 1.00 0.33 N ATOM 1407 CA ASP A 92 141.049 -10.949 5.735 1.00 0.36 C ATOM 1408 C ASP A 92 141.149 -10.174 4.408 1.00 0.32 C ATOM 1409 O ASP A 92 140.361 -10.400 3.516 1.00 0.34 O ATOM 1410 CB ASP A 92 139.947 -10.323 6.602 1.00 0.40 C ATOM 1411 CG ASP A 92 138.581 -10.628 5.984 1.00 0.84 C ATOM 1412 OD1 ASP A 92 138.555 -11.139 4.876 1.00 1.61 O ATOM 1413 OD2 ASP A 92 137.584 -10.347 6.629 1.00 1.43 O ATOM 0 H ASP A 92 142.331 -10.334 7.315 1.00 0.33 H new ATOM 0 HA ASP A 92 140.811 -11.988 5.509 1.00 0.36 H new ATOM 0 HB2 ASP A 92 139.997 -10.720 7.616 1.00 0.40 H new ATOM 0 HB3 ASP A 92 140.094 -9.245 6.674 1.00 0.40 H new ATOM 1418 N ILE A 93 142.081 -9.256 4.254 1.00 0.32 N ATOM 1419 CA ILE A 93 142.149 -8.501 2.969 1.00 0.31 C ATOM 1420 C ILE A 93 142.599 -9.424 1.834 1.00 0.25 C ATOM 1421 O ILE A 93 141.949 -9.523 0.812 1.00 0.33 O ATOM 1422 CB ILE A 93 143.111 -7.313 3.103 1.00 0.41 C ATOM 1423 CG1 ILE A 93 142.780 -6.297 2.013 1.00 1.03 C ATOM 1424 CG2 ILE A 93 144.566 -7.764 2.944 1.00 1.32 C ATOM 1425 CD1 ILE A 93 143.084 -6.913 0.646 1.00 2.31 C ATOM 0 H ILE A 93 142.782 -9.005 4.951 1.00 0.32 H new ATOM 0 HA ILE A 93 141.155 -8.121 2.734 1.00 0.31 H new ATOM 0 HB ILE A 93 142.995 -6.872 4.093 1.00 0.41 H new ATOM 0 HG12 ILE A 93 141.730 -6.011 2.072 1.00 1.03 H new ATOM 0 HG13 ILE A 93 143.366 -5.389 2.155 1.00 1.03 H new ATOM 0 HG21 ILE A 93 145.227 -6.903 3.043 1.00 1.32 H new ATOM 0 HG22 ILE A 93 144.806 -8.496 3.715 1.00 1.32 H new ATOM 0 HG23 ILE A 93 144.702 -8.214 1.961 1.00 1.32 H new ATOM 0 HD11 ILE A 93 142.850 -6.193 -0.138 1.00 2.31 H new ATOM 0 HD12 ILE A 93 144.140 -7.177 0.593 1.00 2.31 H new ATOM 0 HD13 ILE A 93 142.479 -7.809 0.508 1.00 2.31 H new ATOM 1437 N HIS A 94 143.700 -10.098 1.994 1.00 0.34 N ATOM 1438 CA HIS A 94 144.171 -11.007 0.913 1.00 0.50 C ATOM 1439 C HIS A 94 143.015 -11.911 0.489 1.00 0.47 C ATOM 1440 O HIS A 94 142.844 -12.217 -0.674 1.00 0.74 O ATOM 1441 CB HIS A 94 145.330 -11.864 1.423 1.00 0.67 C ATOM 1442 CG HIS A 94 145.971 -12.574 0.264 1.00 0.95 C ATOM 1443 ND1 HIS A 94 145.456 -13.402 -0.702 1.00 1.63 N flip ATOM 1444 CD2 HIS A 94 147.324 -12.463 -0.014 1.00 1.54 C flip ATOM 1445 CE1 HIS A 94 146.470 -13.800 -1.568 1.00 1.75 C flip ATOM 1446 NE2 HIS A 94 147.575 -13.205 -1.108 1.00 1.65 N flip ATOM 0 H HIS A 94 144.293 -10.060 2.823 1.00 0.34 H new ATOM 0 HA HIS A 94 144.514 -10.418 0.062 1.00 0.50 H new ATOM 0 HB2 HIS A 94 146.063 -11.238 1.932 1.00 0.67 H new ATOM 0 HB3 HIS A 94 144.968 -12.588 2.153 1.00 0.67 H new ATOM 0 HD2 HIS A 94 148.046 -11.886 0.545 1.00 1.54 H new ATOM 0 HE1 HIS A 94 146.383 -14.449 -2.426 1.00 1.75 H new ATOM 0 HE2 HIS A 94 148.497 -13.302 -1.534 1.00 1.65 H new ATOM 1454 N GLN A 95 142.215 -12.336 1.428 1.00 0.32 N ATOM 1455 CA GLN A 95 141.063 -13.215 1.088 1.00 0.35 C ATOM 1456 C GLN A 95 139.968 -12.377 0.426 1.00 0.33 C ATOM 1457 O GLN A 95 139.243 -12.848 -0.428 1.00 0.39 O ATOM 1458 CB GLN A 95 140.515 -13.855 2.365 1.00 0.39 C ATOM 1459 CG GLN A 95 139.580 -15.010 2.000 1.00 0.58 C ATOM 1460 CD GLN A 95 140.093 -16.303 2.635 1.00 1.25 C ATOM 1461 OE1 GLN A 95 141.166 -16.330 3.204 1.00 1.99 O ATOM 1462 NE2 GLN A 95 139.366 -17.384 2.562 1.00 1.92 N ATOM 0 H GLN A 95 142.311 -12.111 2.418 1.00 0.32 H new ATOM 0 HA GLN A 95 141.389 -13.998 0.403 1.00 0.35 H new ATOM 0 HB2 GLN A 95 141.336 -14.220 2.982 1.00 0.39 H new ATOM 0 HB3 GLN A 95 139.978 -13.112 2.955 1.00 0.39 H new ATOM 0 HG2 GLN A 95 138.569 -14.797 2.348 1.00 0.58 H new ATOM 0 HG3 GLN A 95 139.527 -15.121 0.917 1.00 0.58 H new ATOM 0 HE21 GLN A 95 138.465 -17.361 2.084 1.00 1.92 H new ATOM 0 HE22 GLN A 95 139.699 -18.252 2.983 1.00 1.92 H new ATOM 1471 N TYR A 96 139.843 -11.136 0.814 1.00 0.26 N ATOM 1472 CA TYR A 96 138.798 -10.268 0.208 1.00 0.26 C ATOM 1473 C TYR A 96 139.090 -10.095 -1.282 1.00 0.31 C ATOM 1474 O TYR A 96 138.407 -10.645 -2.120 1.00 0.35 O ATOM 1475 CB TYR A 96 138.794 -8.900 0.902 1.00 0.26 C ATOM 1476 CG TYR A 96 137.677 -8.859 1.910 1.00 0.27 C ATOM 1477 CD1 TYR A 96 136.350 -8.845 1.475 1.00 1.22 C ATOM 1478 CD2 TYR A 96 137.971 -8.835 3.277 1.00 1.25 C ATOM 1479 CE1 TYR A 96 135.309 -8.808 2.405 1.00 1.24 C ATOM 1480 CE2 TYR A 96 136.934 -8.797 4.216 1.00 1.26 C ATOM 1481 CZ TYR A 96 135.599 -8.783 3.780 1.00 0.36 C ATOM 1482 OH TYR A 96 134.571 -8.746 4.700 1.00 0.43 O ATOM 0 H TYR A 96 140.421 -10.688 1.525 1.00 0.26 H new ATOM 0 HA TYR A 96 137.819 -10.731 0.335 1.00 0.26 H new ATOM 0 HB2 TYR A 96 139.751 -8.726 1.394 1.00 0.26 H new ATOM 0 HB3 TYR A 96 138.665 -8.106 0.166 1.00 0.26 H new ATOM 0 HD1 TYR A 96 136.129 -8.863 0.418 1.00 1.22 H new ATOM 0 HD2 TYR A 96 138.999 -8.846 3.608 1.00 1.25 H new ATOM 0 HE1 TYR A 96 134.283 -8.799 2.068 1.00 1.24 H new ATOM 0 HE2 TYR A 96 137.159 -8.779 5.272 1.00 1.26 H new ATOM 0 HH TYR A 96 134.690 -7.974 5.292 1.00 0.43 H new ATOM 1492 N ARG A 97 140.101 -9.343 -1.622 1.00 0.35 N ATOM 1493 CA ARG A 97 140.429 -9.146 -3.059 1.00 0.42 C ATOM 1494 C ARG A 97 140.371 -10.493 -3.788 1.00 0.44 C ATOM 1495 O ARG A 97 140.035 -10.566 -4.953 1.00 0.51 O ATOM 1496 CB ARG A 97 141.834 -8.549 -3.179 1.00 0.51 C ATOM 1497 CG ARG A 97 142.884 -9.640 -2.952 1.00 1.17 C ATOM 1498 CD ARG A 97 144.280 -9.014 -2.950 1.00 1.65 C ATOM 1499 NE ARG A 97 144.923 -9.234 -4.275 1.00 1.82 N ATOM 1500 CZ ARG A 97 144.913 -10.420 -4.816 1.00 2.02 C ATOM 1501 NH1 ARG A 97 145.436 -11.431 -4.180 1.00 2.59 N ATOM 1502 NH2 ARG A 97 144.380 -10.595 -5.994 1.00 2.44 N ATOM 0 H ARG A 97 140.713 -8.857 -0.966 1.00 0.35 H new ATOM 0 HA ARG A 97 139.707 -8.465 -3.511 1.00 0.42 H new ATOM 0 HB2 ARG A 97 141.967 -8.104 -4.165 1.00 0.51 H new ATOM 0 HB3 ARG A 97 141.963 -7.750 -2.449 1.00 0.51 H new ATOM 0 HG2 ARG A 97 142.699 -10.145 -2.004 1.00 1.17 H new ATOM 0 HG3 ARG A 97 142.814 -10.395 -3.735 1.00 1.17 H new ATOM 0 HD2 ARG A 97 144.212 -7.947 -2.739 1.00 1.65 H new ATOM 0 HD3 ARG A 97 144.888 -9.456 -2.161 1.00 1.65 H new ATOM 0 HE ARG A 97 145.371 -8.456 -4.759 1.00 1.82 H new ATOM 0 HH11 ARG A 97 145.853 -11.294 -3.259 1.00 2.59 H new ATOM 0 HH12 ARG A 97 145.428 -12.359 -4.603 1.00 2.59 H new ATOM 0 HH21 ARG A 97 143.971 -9.804 -6.491 1.00 2.44 H new ATOM 0 HH22 ARG A 97 144.372 -11.523 -6.417 1.00 2.44 H new ATOM 1516 N GLU A 98 140.694 -11.559 -3.108 1.00 0.41 N ATOM 1517 CA GLU A 98 140.655 -12.899 -3.760 1.00 0.48 C ATOM 1518 C GLU A 98 139.248 -13.158 -4.298 1.00 0.43 C ATOM 1519 O GLU A 98 139.064 -13.462 -5.459 1.00 0.51 O ATOM 1520 CB GLU A 98 141.017 -13.978 -2.737 1.00 0.55 C ATOM 1521 CG GLU A 98 142.532 -14.185 -2.727 1.00 0.66 C ATOM 1522 CD GLU A 98 142.895 -15.345 -3.656 1.00 1.28 C ATOM 1523 OE1 GLU A 98 141.994 -15.885 -4.276 1.00 2.03 O ATOM 1524 OE2 GLU A 98 144.068 -15.673 -3.731 1.00 1.80 O ATOM 0 H GLU A 98 140.983 -11.560 -2.130 1.00 0.41 H new ATOM 0 HA GLU A 98 141.371 -12.926 -4.581 1.00 0.48 H new ATOM 0 HB2 GLU A 98 140.673 -13.684 -1.745 1.00 0.55 H new ATOM 0 HB3 GLU A 98 140.513 -14.912 -2.985 1.00 0.55 H new ATOM 0 HG2 GLU A 98 143.036 -13.274 -3.051 1.00 0.66 H new ATOM 0 HG3 GLU A 98 142.874 -14.396 -1.714 1.00 0.66 H new ATOM 1531 N GLN A 99 138.252 -13.037 -3.465 1.00 0.39 N ATOM 1532 CA GLN A 99 136.859 -13.272 -3.936 1.00 0.42 C ATOM 1533 C GLN A 99 136.492 -12.198 -4.960 1.00 0.39 C ATOM 1534 O GLN A 99 135.790 -12.451 -5.919 1.00 0.56 O ATOM 1535 CB GLN A 99 135.896 -13.196 -2.750 1.00 0.48 C ATOM 1536 CG GLN A 99 134.747 -14.182 -2.966 1.00 1.39 C ATOM 1537 CD GLN A 99 134.806 -15.276 -1.899 1.00 2.26 C ATOM 1538 OE1 GLN A 99 135.486 -15.133 -0.902 1.00 2.86 O ATOM 1539 NE2 GLN A 99 134.118 -16.372 -2.068 1.00 3.01 N ATOM 0 H GLN A 99 138.342 -12.786 -2.480 1.00 0.39 H new ATOM 0 HA GLN A 99 136.788 -14.259 -4.393 1.00 0.42 H new ATOM 0 HB2 GLN A 99 136.422 -13.430 -1.824 1.00 0.48 H new ATOM 0 HB3 GLN A 99 135.507 -12.183 -2.648 1.00 0.48 H new ATOM 0 HG2 GLN A 99 133.791 -13.660 -2.914 1.00 1.39 H new ATOM 0 HG3 GLN A 99 134.815 -14.624 -3.960 1.00 1.39 H new ATOM 0 HE21 GLN A 99 133.547 -16.492 -2.905 1.00 3.01 H new ATOM 0 HE22 GLN A 99 134.151 -17.109 -1.363 1.00 3.01 H new ATOM 1548 N ILE A 100 136.967 -10.999 -4.763 1.00 0.30 N ATOM 1549 CA ILE A 100 136.654 -9.904 -5.720 1.00 0.30 C ATOM 1550 C ILE A 100 137.039 -10.342 -7.135 1.00 0.34 C ATOM 1551 O ILE A 100 136.198 -10.652 -7.949 1.00 0.47 O ATOM 1552 CB ILE A 100 137.448 -8.650 -5.343 1.00 0.29 C ATOM 1553 CG1 ILE A 100 137.207 -8.293 -3.869 1.00 0.44 C ATOM 1554 CG2 ILE A 100 137.010 -7.491 -6.234 1.00 0.38 C ATOM 1555 CD1 ILE A 100 135.717 -8.032 -3.622 1.00 0.28 C ATOM 0 H ILE A 100 137.560 -10.731 -3.978 1.00 0.30 H new ATOM 0 HA ILE A 100 135.587 -9.683 -5.682 1.00 0.30 H new ATOM 0 HB ILE A 100 138.511 -8.841 -5.486 1.00 0.29 H new ATOM 0 HG12 ILE A 100 137.552 -9.106 -3.230 1.00 0.44 H new ATOM 0 HG13 ILE A 100 137.787 -7.410 -3.602 1.00 0.44 H new ATOM 0 HG21 ILE A 100 137.573 -6.596 -5.969 1.00 0.38 H new ATOM 0 HG22 ILE A 100 137.199 -7.743 -7.278 1.00 0.38 H new ATOM 0 HG23 ILE A 100 135.945 -7.305 -6.092 1.00 0.38 H new ATOM 0 HD11 ILE A 100 135.561 -7.780 -2.573 1.00 0.28 H new ATOM 0 HD12 ILE A 100 135.384 -7.204 -4.248 1.00 0.28 H new ATOM 0 HD13 ILE A 100 135.145 -8.926 -3.869 1.00 0.28 H new ATOM 1567 N LYS A 101 138.307 -10.363 -7.429 1.00 0.33 N ATOM 1568 CA LYS A 101 138.768 -10.776 -8.790 1.00 0.40 C ATOM 1569 C LYS A 101 137.900 -11.921 -9.331 1.00 0.47 C ATOM 1570 O LYS A 101 137.746 -12.080 -10.526 1.00 0.58 O ATOM 1571 CB LYS A 101 140.223 -11.245 -8.708 1.00 0.42 C ATOM 1572 CG LYS A 101 140.304 -12.506 -7.847 1.00 0.47 C ATOM 1573 CD LYS A 101 140.667 -13.702 -8.730 1.00 0.95 C ATOM 1574 CE LYS A 101 141.327 -14.786 -7.877 1.00 1.22 C ATOM 1575 NZ LYS A 101 141.745 -15.919 -8.752 1.00 1.71 N ATOM 0 H LYS A 101 139.054 -10.110 -6.782 1.00 0.33 H new ATOM 0 HA LYS A 101 138.684 -9.922 -9.463 1.00 0.40 H new ATOM 0 HB2 LYS A 101 140.608 -11.449 -9.707 1.00 0.42 H new ATOM 0 HB3 LYS A 101 140.846 -10.459 -8.281 1.00 0.42 H new ATOM 0 HG2 LYS A 101 141.052 -12.378 -7.064 1.00 0.47 H new ATOM 0 HG3 LYS A 101 139.350 -12.683 -7.351 1.00 0.47 H new ATOM 0 HD2 LYS A 101 139.772 -14.097 -9.210 1.00 0.95 H new ATOM 0 HD3 LYS A 101 141.343 -13.388 -9.525 1.00 0.95 H new ATOM 0 HE2 LYS A 101 142.192 -14.377 -7.355 1.00 1.22 H new ATOM 0 HE3 LYS A 101 140.632 -15.138 -7.115 1.00 1.22 H new ATOM 0 HZ1 LYS A 101 142.194 -16.657 -8.173 1.00 1.71 H new ATOM 0 HZ2 LYS A 101 140.911 -16.314 -9.231 1.00 1.71 H new ATOM 0 HZ3 LYS A 101 142.422 -15.577 -9.463 1.00 1.71 H new ATOM 1589 N ARG A 102 137.340 -12.726 -8.468 1.00 0.47 N ATOM 1590 CA ARG A 102 136.495 -13.860 -8.945 1.00 0.60 C ATOM 1591 C ARG A 102 135.150 -13.340 -9.471 1.00 0.65 C ATOM 1592 O ARG A 102 134.765 -13.618 -10.589 1.00 0.76 O ATOM 1593 CB ARG A 102 136.244 -14.827 -7.785 1.00 0.64 C ATOM 1594 CG ARG A 102 136.621 -16.248 -8.212 1.00 1.07 C ATOM 1595 CD ARG A 102 135.654 -17.248 -7.576 1.00 1.40 C ATOM 1596 NE ARG A 102 135.515 -18.438 -8.464 1.00 2.07 N ATOM 1597 CZ ARG A 102 134.709 -19.409 -8.133 1.00 2.65 C ATOM 1598 NH1 ARG A 102 134.383 -19.590 -6.882 1.00 3.26 N ATOM 1599 NH2 ARG A 102 134.229 -20.201 -9.053 1.00 3.21 N ATOM 0 H ARG A 102 137.431 -12.648 -7.455 1.00 0.47 H new ATOM 0 HA ARG A 102 137.016 -14.373 -9.753 1.00 0.60 H new ATOM 0 HB2 ARG A 102 136.831 -14.529 -6.916 1.00 0.64 H new ATOM 0 HB3 ARG A 102 135.196 -14.791 -7.489 1.00 0.64 H new ATOM 0 HG2 ARG A 102 136.586 -16.334 -9.298 1.00 1.07 H new ATOM 0 HG3 ARG A 102 137.643 -16.471 -7.907 1.00 1.07 H new ATOM 0 HD2 ARG A 102 136.022 -17.553 -6.596 1.00 1.40 H new ATOM 0 HD3 ARG A 102 134.681 -16.781 -7.420 1.00 1.40 H new ATOM 0 HE ARG A 102 136.050 -18.493 -9.331 1.00 2.07 H new ATOM 0 HH11 ARG A 102 134.758 -18.972 -6.163 1.00 3.26 H new ATOM 0 HH12 ARG A 102 133.753 -20.349 -6.624 1.00 3.26 H new ATOM 0 HH21 ARG A 102 134.484 -20.061 -10.031 1.00 3.21 H new ATOM 0 HH22 ARG A 102 133.599 -20.960 -8.794 1.00 3.21 H new ATOM 1613 N VAL A 103 134.426 -12.603 -8.671 1.00 0.62 N ATOM 1614 CA VAL A 103 133.098 -12.088 -9.126 1.00 0.73 C ATOM 1615 C VAL A 103 133.277 -11.065 -10.248 1.00 0.70 C ATOM 1616 O VAL A 103 132.614 -11.123 -11.264 1.00 0.86 O ATOM 1617 CB VAL A 103 132.384 -11.419 -7.953 1.00 0.77 C ATOM 1618 CG1 VAL A 103 132.244 -12.416 -6.802 1.00 0.84 C ATOM 1619 CG2 VAL A 103 133.206 -10.216 -7.493 1.00 0.72 C ATOM 0 H VAL A 103 134.694 -12.335 -7.724 1.00 0.62 H new ATOM 0 HA VAL A 103 132.507 -12.925 -9.498 1.00 0.73 H new ATOM 0 HB VAL A 103 131.392 -11.091 -8.263 1.00 0.77 H new ATOM 0 HG11 VAL A 103 131.734 -11.937 -5.966 1.00 0.84 H new ATOM 0 HG12 VAL A 103 131.665 -13.277 -7.135 1.00 0.84 H new ATOM 0 HG13 VAL A 103 133.233 -12.745 -6.484 1.00 0.84 H new ATOM 0 HG21 VAL A 103 132.704 -9.731 -6.655 1.00 0.72 H new ATOM 0 HG22 VAL A 103 134.195 -10.550 -7.180 1.00 0.72 H new ATOM 0 HG23 VAL A 103 133.306 -9.508 -8.315 1.00 0.72 H new ATOM 1629 N LYS A 104 134.158 -10.124 -10.071 1.00 0.63 N ATOM 1630 CA LYS A 104 134.367 -9.097 -11.123 1.00 0.65 C ATOM 1631 C LYS A 104 134.645 -9.777 -12.459 1.00 0.68 C ATOM 1632 O LYS A 104 133.742 -10.087 -13.210 1.00 0.93 O ATOM 1633 CB LYS A 104 135.550 -8.204 -10.742 1.00 0.60 C ATOM 1634 CG LYS A 104 135.041 -6.992 -9.962 1.00 0.65 C ATOM 1635 CD LYS A 104 134.239 -6.084 -10.899 1.00 0.78 C ATOM 1636 CE LYS A 104 135.161 -5.531 -11.989 1.00 1.20 C ATOM 1637 NZ LYS A 104 134.673 -4.191 -12.422 1.00 1.45 N ATOM 0 H LYS A 104 134.743 -10.022 -9.242 1.00 0.63 H new ATOM 0 HA LYS A 104 133.469 -8.486 -11.212 1.00 0.65 H new ATOM 0 HB2 LYS A 104 136.264 -8.765 -10.139 1.00 0.60 H new ATOM 0 HB3 LYS A 104 136.077 -7.878 -11.639 1.00 0.60 H new ATOM 0 HG2 LYS A 104 134.416 -7.317 -9.130 1.00 0.65 H new ATOM 0 HG3 LYS A 104 135.880 -6.442 -9.535 1.00 0.65 H new ATOM 0 HD2 LYS A 104 133.419 -6.643 -11.351 1.00 0.78 H new ATOM 0 HD3 LYS A 104 133.793 -5.265 -10.335 1.00 0.78 H new ATOM 0 HE2 LYS A 104 136.181 -5.454 -11.612 1.00 1.20 H new ATOM 0 HE3 LYS A 104 135.186 -6.213 -12.839 1.00 1.20 H new ATOM 0 HZ1 LYS A 104 135.462 -3.649 -12.828 1.00 1.45 H new ATOM 0 HZ2 LYS A 104 133.928 -4.308 -13.138 1.00 1.45 H new ATOM 0 HZ3 LYS A 104 134.288 -3.680 -11.602 1.00 1.45 H new ATOM 1651 N ASP A 105 135.887 -10.003 -12.766 1.00 0.68 N ATOM 1652 CA ASP A 105 136.225 -10.645 -14.046 1.00 0.72 C ATOM 1653 C ASP A 105 137.649 -11.193 -13.997 1.00 0.57 C ATOM 1654 O ASP A 105 137.894 -12.343 -14.306 1.00 0.71 O ATOM 1655 CB ASP A 105 136.121 -9.609 -15.155 1.00 1.00 C ATOM 1656 CG ASP A 105 134.714 -9.630 -15.754 1.00 1.19 C ATOM 1657 OD1 ASP A 105 134.057 -10.651 -15.636 1.00 1.62 O ATOM 1658 OD2 ASP A 105 134.318 -8.626 -16.322 1.00 1.74 O ATOM 0 H ASP A 105 136.684 -9.766 -12.176 1.00 0.68 H new ATOM 0 HA ASP A 105 135.536 -11.468 -14.234 1.00 0.72 H new ATOM 0 HB2 ASP A 105 136.343 -8.617 -14.761 1.00 1.00 H new ATOM 0 HB3 ASP A 105 136.859 -9.817 -15.930 1.00 1.00 H new ATOM 1663 N SER A 106 138.592 -10.378 -13.623 1.00 0.58 N ATOM 1664 CA SER A 106 140.004 -10.852 -13.567 1.00 0.74 C ATOM 1665 C SER A 106 140.612 -10.525 -12.204 1.00 0.62 C ATOM 1666 O SER A 106 139.916 -10.231 -11.254 1.00 0.72 O ATOM 1667 CB SER A 106 140.819 -10.160 -14.659 1.00 1.07 C ATOM 1668 OG SER A 106 141.984 -10.926 -14.933 1.00 1.44 O ATOM 0 H SER A 106 138.449 -9.405 -13.353 1.00 0.58 H new ATOM 0 HA SER A 106 140.022 -11.931 -13.720 1.00 0.74 H new ATOM 0 HB2 SER A 106 140.220 -10.053 -15.563 1.00 1.07 H new ATOM 0 HB3 SER A 106 141.097 -9.156 -14.340 1.00 1.07 H new ATOM 0 HG SER A 106 142.508 -10.485 -15.634 1.00 1.44 H new ATOM 1674 N ASP A 107 141.911 -10.578 -12.107 1.00 0.77 N ATOM 1675 CA ASP A 107 142.578 -10.276 -10.810 1.00 0.77 C ATOM 1676 C ASP A 107 143.415 -9.003 -10.948 1.00 0.64 C ATOM 1677 O ASP A 107 144.549 -8.945 -10.515 1.00 0.74 O ATOM 1678 CB ASP A 107 143.486 -11.445 -10.421 1.00 1.10 C ATOM 1679 CG ASP A 107 143.611 -11.508 -8.898 1.00 1.24 C ATOM 1680 OD1 ASP A 107 143.132 -10.595 -8.246 1.00 1.75 O ATOM 1681 OD2 ASP A 107 144.183 -12.469 -8.410 1.00 1.66 O ATOM 0 H ASP A 107 142.541 -10.818 -12.872 1.00 0.77 H new ATOM 0 HA ASP A 107 141.822 -10.129 -10.039 1.00 0.77 H new ATOM 0 HB2 ASP A 107 143.076 -12.380 -10.802 1.00 1.10 H new ATOM 0 HB3 ASP A 107 144.470 -11.321 -10.873 1.00 1.10 H new ATOM 1686 N ASP A 108 142.865 -7.982 -11.543 1.00 0.51 N ATOM 1687 CA ASP A 108 143.631 -6.715 -11.701 1.00 0.50 C ATOM 1688 C ASP A 108 142.679 -5.526 -11.585 1.00 0.42 C ATOM 1689 O ASP A 108 142.725 -4.597 -12.366 1.00 0.49 O ATOM 1690 CB ASP A 108 144.317 -6.694 -13.068 1.00 0.65 C ATOM 1691 CG ASP A 108 145.467 -5.687 -13.046 1.00 0.75 C ATOM 1692 OD1 ASP A 108 145.352 -4.702 -12.335 1.00 1.36 O ATOM 1693 OD2 ASP A 108 146.444 -5.917 -13.739 1.00 1.34 O ATOM 0 H ASP A 108 141.920 -7.970 -11.926 1.00 0.51 H new ATOM 0 HA ASP A 108 144.388 -6.650 -10.919 1.00 0.50 H new ATOM 0 HB2 ASP A 108 144.694 -7.687 -13.313 1.00 0.65 H new ATOM 0 HB3 ASP A 108 143.599 -6.425 -13.843 1.00 0.65 H new ATOM 1698 N VAL A 109 141.814 -5.554 -10.612 1.00 0.34 N ATOM 1699 CA VAL A 109 140.856 -4.452 -10.423 1.00 0.31 C ATOM 1700 C VAL A 109 141.538 -3.314 -9.641 1.00 0.28 C ATOM 1701 O VAL A 109 142.552 -3.523 -9.005 1.00 0.31 O ATOM 1702 CB VAL A 109 139.613 -4.992 -9.680 1.00 0.32 C ATOM 1703 CG1 VAL A 109 139.626 -6.523 -9.596 1.00 0.38 C ATOM 1704 CG2 VAL A 109 139.532 -4.423 -8.266 1.00 0.28 C ATOM 0 H VAL A 109 141.736 -6.311 -9.932 1.00 0.34 H new ATOM 0 HA VAL A 109 140.533 -4.051 -11.384 1.00 0.31 H new ATOM 0 HB VAL A 109 138.742 -4.675 -10.254 1.00 0.32 H new ATOM 0 HG11 VAL A 109 138.737 -6.866 -9.067 1.00 0.38 H new ATOM 0 HG12 VAL A 109 139.634 -6.943 -10.602 1.00 0.38 H new ATOM 0 HG13 VAL A 109 140.516 -6.850 -9.059 1.00 0.38 H new ATOM 0 HG21 VAL A 109 138.649 -4.819 -7.765 1.00 0.28 H new ATOM 0 HG22 VAL A 109 140.424 -4.707 -7.708 1.00 0.28 H new ATOM 0 HG23 VAL A 109 139.465 -3.336 -8.314 1.00 0.28 H new ATOM 1714 N PRO A 110 140.955 -2.144 -9.721 1.00 0.26 N ATOM 1715 CA PRO A 110 141.475 -0.945 -9.038 1.00 0.26 C ATOM 1716 C PRO A 110 141.099 -0.961 -7.548 1.00 0.24 C ATOM 1717 O PRO A 110 139.973 -0.693 -7.177 1.00 0.30 O ATOM 1718 CB PRO A 110 140.778 0.210 -9.765 1.00 0.28 C ATOM 1719 CG PRO A 110 139.505 -0.386 -10.409 1.00 0.27 C ATOM 1720 CD PRO A 110 139.726 -1.907 -10.503 1.00 0.27 C ATOM 0 HA PRO A 110 142.562 -0.873 -9.071 1.00 0.26 H new ATOM 0 HB2 PRO A 110 140.524 1.010 -9.070 1.00 0.28 H new ATOM 0 HB3 PRO A 110 141.431 0.642 -10.523 1.00 0.28 H new ATOM 0 HG2 PRO A 110 138.625 -0.159 -9.807 1.00 0.27 H new ATOM 0 HG3 PRO A 110 139.335 0.042 -11.397 1.00 0.27 H new ATOM 0 HD2 PRO A 110 138.880 -2.458 -10.092 1.00 0.27 H new ATOM 0 HD3 PRO A 110 139.844 -2.229 -11.538 1.00 0.27 H new ATOM 1728 N MET A 111 142.040 -1.271 -6.697 1.00 0.22 N ATOM 1729 CA MET A 111 141.759 -1.306 -5.230 1.00 0.20 C ATOM 1730 C MET A 111 142.989 -0.788 -4.508 1.00 0.21 C ATOM 1731 O MET A 111 144.024 -0.585 -5.101 1.00 0.23 O ATOM 1732 CB MET A 111 141.451 -2.757 -4.811 1.00 0.21 C ATOM 1733 CG MET A 111 141.941 -3.046 -3.383 1.00 0.22 C ATOM 1734 SD MET A 111 141.586 -4.771 -2.968 1.00 0.24 S ATOM 1735 CE MET A 111 143.002 -5.501 -3.823 1.00 1.78 C ATOM 0 H MET A 111 142.999 -1.503 -6.956 1.00 0.22 H new ATOM 0 HA MET A 111 140.899 -0.685 -4.978 1.00 0.20 H new ATOM 0 HB2 MET A 111 140.377 -2.934 -4.871 1.00 0.21 H new ATOM 0 HB3 MET A 111 141.928 -3.447 -5.507 1.00 0.21 H new ATOM 0 HG2 MET A 111 143.011 -2.854 -3.308 1.00 0.22 H new ATOM 0 HG3 MET A 111 141.447 -2.380 -2.675 1.00 0.22 H new ATOM 0 HE1 MET A 111 142.652 -6.258 -4.525 1.00 1.78 H new ATOM 0 HE2 MET A 111 143.540 -4.724 -4.366 1.00 1.78 H new ATOM 0 HE3 MET A 111 143.669 -5.962 -3.094 1.00 1.78 H new ATOM 1745 N VAL A 112 142.864 -0.538 -3.242 1.00 0.20 N ATOM 1746 CA VAL A 112 144.018 0.002 -2.478 1.00 0.21 C ATOM 1747 C VAL A 112 143.936 -0.472 -1.022 1.00 0.22 C ATOM 1748 O VAL A 112 142.876 -0.525 -0.433 1.00 0.34 O ATOM 1749 CB VAL A 112 143.966 1.526 -2.552 1.00 0.23 C ATOM 1750 CG1 VAL A 112 142.504 1.960 -2.534 1.00 0.23 C ATOM 1751 CG2 VAL A 112 144.718 2.152 -1.363 1.00 0.25 C ATOM 0 H VAL A 112 142.012 -0.684 -2.700 1.00 0.20 H new ATOM 0 HA VAL A 112 144.959 -0.352 -2.899 1.00 0.21 H new ATOM 0 HB VAL A 112 144.447 1.865 -3.470 1.00 0.23 H new ATOM 0 HG11 VAL A 112 142.447 3.047 -2.586 1.00 0.23 H new ATOM 0 HG12 VAL A 112 141.986 1.528 -3.390 1.00 0.23 H new ATOM 0 HG13 VAL A 112 142.034 1.616 -1.613 1.00 0.23 H new ATOM 0 HG21 VAL A 112 144.670 3.239 -1.433 1.00 0.25 H new ATOM 0 HG22 VAL A 112 144.257 1.828 -0.430 1.00 0.25 H new ATOM 0 HG23 VAL A 112 145.760 1.833 -1.383 1.00 0.25 H new ATOM 1761 N LEU A 113 145.054 -0.802 -0.440 1.00 0.19 N ATOM 1762 CA LEU A 113 145.061 -1.261 0.978 1.00 0.22 C ATOM 1763 C LEU A 113 145.188 -0.034 1.885 1.00 0.23 C ATOM 1764 O LEU A 113 145.984 0.842 1.629 1.00 0.32 O ATOM 1765 CB LEU A 113 146.264 -2.195 1.191 1.00 0.26 C ATOM 1766 CG LEU A 113 145.825 -3.671 1.109 1.00 0.36 C ATOM 1767 CD1 LEU A 113 145.329 -4.151 2.476 1.00 1.33 C ATOM 1768 CD2 LEU A 113 144.698 -3.832 0.082 1.00 1.34 C ATOM 0 H LEU A 113 145.970 -0.774 -0.888 1.00 0.19 H new ATOM 0 HA LEU A 113 144.142 -1.797 1.214 1.00 0.22 H new ATOM 0 HB2 LEU A 113 147.026 -1.994 0.438 1.00 0.26 H new ATOM 0 HB3 LEU A 113 146.717 -1.998 2.163 1.00 0.26 H new ATOM 0 HG LEU A 113 146.684 -4.268 0.803 1.00 0.36 H new ATOM 0 HD11 LEU A 113 145.022 -5.194 2.406 1.00 1.33 H new ATOM 0 HD12 LEU A 113 146.132 -4.058 3.208 1.00 1.33 H new ATOM 0 HD13 LEU A 113 144.480 -3.543 2.789 1.00 1.33 H new ATOM 0 HD21 LEU A 113 144.397 -4.878 0.033 1.00 1.34 H new ATOM 0 HD22 LEU A 113 143.845 -3.222 0.379 1.00 1.34 H new ATOM 0 HD23 LEU A 113 145.050 -3.510 -0.898 1.00 1.34 H new ATOM 1780 N VAL A 114 144.429 0.042 2.946 1.00 0.19 N ATOM 1781 CA VAL A 114 144.553 1.225 3.844 1.00 0.23 C ATOM 1782 C VAL A 114 144.486 0.801 5.299 1.00 0.21 C ATOM 1783 O VAL A 114 143.654 -0.004 5.707 1.00 0.27 O ATOM 1784 CB VAL A 114 143.446 2.252 3.590 1.00 0.30 C ATOM 1785 CG1 VAL A 114 142.124 1.525 3.465 1.00 0.84 C ATOM 1786 CG2 VAL A 114 143.379 3.255 4.769 1.00 0.93 C ATOM 0 H VAL A 114 143.738 -0.654 3.226 1.00 0.19 H new ATOM 0 HA VAL A 114 145.519 1.682 3.627 1.00 0.23 H new ATOM 0 HB VAL A 114 143.657 2.800 2.672 1.00 0.30 H new ATOM 0 HG11 VAL A 114 141.328 2.247 3.284 1.00 0.84 H new ATOM 0 HG12 VAL A 114 142.173 0.822 2.633 1.00 0.84 H new ATOM 0 HG13 VAL A 114 141.919 0.982 4.388 1.00 0.84 H new ATOM 0 HG21 VAL A 114 142.590 3.983 4.583 1.00 0.93 H new ATOM 0 HG22 VAL A 114 143.166 2.717 5.693 1.00 0.93 H new ATOM 0 HG23 VAL A 114 144.334 3.771 4.862 1.00 0.93 H new ATOM 1796 N GLY A 115 145.343 1.388 6.078 1.00 0.24 N ATOM 1797 CA GLY A 115 145.368 1.122 7.528 1.00 0.26 C ATOM 1798 C GLY A 115 144.549 2.231 8.159 1.00 0.26 C ATOM 1799 O GLY A 115 144.966 3.370 8.204 1.00 0.33 O ATOM 0 H GLY A 115 146.043 2.057 5.757 1.00 0.24 H new ATOM 0 HA2 GLY A 115 144.944 0.144 7.755 1.00 0.26 H new ATOM 0 HA3 GLY A 115 146.389 1.123 7.909 1.00 0.26 H new ATOM 1803 N ASN A 116 143.368 1.922 8.588 1.00 0.30 N ATOM 1804 CA ASN A 116 142.492 2.961 9.156 1.00 0.33 C ATOM 1805 C ASN A 116 143.175 3.612 10.368 1.00 0.37 C ATOM 1806 O ASN A 116 144.325 3.958 10.303 1.00 0.71 O ATOM 1807 CB ASN A 116 141.164 2.316 9.564 1.00 0.36 C ATOM 1808 CG ASN A 116 140.747 1.299 8.502 1.00 0.49 C ATOM 1809 OD1 ASN A 116 141.215 1.412 7.289 1.00 1.21 O flip ATOM 1810 ND2 ASN A 116 139.988 0.391 8.779 1.00 0.99 N flip ATOM 0 H ASN A 116 142.970 0.983 8.568 1.00 0.30 H new ATOM 0 HA ASN A 116 142.301 3.738 8.415 1.00 0.33 H new ATOM 0 HB2 ASN A 116 141.267 1.826 10.532 1.00 0.36 H new ATOM 0 HB3 ASN A 116 140.394 3.080 9.674 1.00 0.36 H new ATOM 0 HD21 ASN A 116 139.623 0.303 9.727 1.00 0.99 H new ATOM 0 HD22 ASN A 116 139.717 -0.283 8.063 1.00 0.99 H new ATOM 1817 N LYS A 117 142.449 3.780 11.450 1.00 0.28 N ATOM 1818 CA LYS A 117 142.964 4.430 12.706 1.00 0.37 C ATOM 1819 C LYS A 117 144.480 4.318 12.866 1.00 0.38 C ATOM 1820 O LYS A 117 144.981 3.636 13.737 1.00 0.45 O ATOM 1821 CB LYS A 117 142.306 3.764 13.917 1.00 0.49 C ATOM 1822 CG LYS A 117 140.786 3.748 13.744 1.00 0.61 C ATOM 1823 CD LYS A 117 140.273 2.310 13.852 1.00 1.01 C ATOM 1824 CE LYS A 117 139.543 2.127 15.183 1.00 1.26 C ATOM 1825 NZ LYS A 117 139.760 0.740 15.683 1.00 1.97 N ATOM 0 H LYS A 117 141.477 3.480 11.517 1.00 0.28 H new ATOM 0 HA LYS A 117 142.716 5.489 12.637 1.00 0.37 H new ATOM 0 HB2 LYS A 117 142.678 2.746 14.029 1.00 0.49 H new ATOM 0 HB3 LYS A 117 142.571 4.302 14.827 1.00 0.49 H new ATOM 0 HG2 LYS A 117 140.316 4.371 14.506 1.00 0.61 H new ATOM 0 HG3 LYS A 117 140.515 4.170 12.776 1.00 0.61 H new ATOM 0 HD2 LYS A 117 139.601 2.089 13.023 1.00 1.01 H new ATOM 0 HD3 LYS A 117 141.105 1.610 13.782 1.00 1.01 H new ATOM 0 HE2 LYS A 117 139.909 2.849 15.913 1.00 1.26 H new ATOM 0 HE3 LYS A 117 138.477 2.316 15.054 1.00 1.26 H new ATOM 0 HZ1 LYS A 117 139.263 0.616 16.588 1.00 1.97 H new ATOM 0 HZ2 LYS A 117 139.391 0.059 14.989 1.00 1.97 H new ATOM 0 HZ3 LYS A 117 140.778 0.576 15.821 1.00 1.97 H new ATOM 1839 N CYS A 118 145.203 5.019 12.052 1.00 0.42 N ATOM 1840 CA CYS A 118 146.683 5.017 12.148 1.00 0.49 C ATOM 1841 C CYS A 118 147.117 6.174 13.056 1.00 0.58 C ATOM 1842 O CYS A 118 148.250 6.251 13.487 1.00 0.92 O ATOM 1843 CB CYS A 118 147.274 5.212 10.753 1.00 0.56 C ATOM 1844 SG CYS A 118 146.554 6.688 9.990 1.00 0.67 S ATOM 0 H CYS A 118 144.825 5.606 11.308 1.00 0.42 H new ATOM 0 HA CYS A 118 147.034 4.071 12.561 1.00 0.49 H new ATOM 0 HB2 CYS A 118 148.357 5.315 10.817 1.00 0.56 H new ATOM 0 HB3 CYS A 118 147.073 4.336 10.136 1.00 0.56 H new ATOM 0 HG CYS A 118 145.257 6.603 10.019 1.00 0.67 H new ATOM 1850 N ASP A 119 146.215 7.082 13.334 1.00 0.52 N ATOM 1851 CA ASP A 119 146.552 8.251 14.196 1.00 0.61 C ATOM 1852 C ASP A 119 147.393 7.806 15.397 1.00 0.73 C ATOM 1853 O ASP A 119 148.593 7.992 15.427 1.00 1.14 O ATOM 1854 CB ASP A 119 145.259 8.910 14.685 1.00 0.78 C ATOM 1855 CG ASP A 119 144.279 9.038 13.518 1.00 1.30 C ATOM 1856 OD1 ASP A 119 144.724 9.363 12.429 1.00 2.07 O ATOM 1857 OD2 ASP A 119 143.100 8.811 13.733 1.00 2.01 O ATOM 0 H ASP A 119 145.253 7.061 12.997 1.00 0.52 H new ATOM 0 HA ASP A 119 147.131 8.967 13.613 1.00 0.61 H new ATOM 0 HB2 ASP A 119 144.815 8.316 15.483 1.00 0.78 H new ATOM 0 HB3 ASP A 119 145.475 9.894 15.102 1.00 0.78 H new ATOM 1862 N LEU A 120 146.777 7.230 16.392 1.00 1.28 N ATOM 1863 CA LEU A 120 147.549 6.790 17.589 1.00 1.55 C ATOM 1864 C LEU A 120 148.717 5.910 17.145 1.00 1.49 C ATOM 1865 O LEU A 120 148.973 5.750 15.968 1.00 2.04 O ATOM 1866 CB LEU A 120 146.635 5.998 18.527 1.00 2.35 C ATOM 1867 CG LEU A 120 145.805 6.971 19.367 1.00 3.27 C ATOM 1868 CD1 LEU A 120 144.322 6.631 19.225 1.00 4.03 C ATOM 1869 CD2 LEU A 120 146.214 6.854 20.836 1.00 3.99 C ATOM 0 H LEU A 120 145.775 7.045 16.429 1.00 1.28 H new ATOM 0 HA LEU A 120 147.933 7.664 18.115 1.00 1.55 H new ATOM 0 HB2 LEU A 120 145.979 5.347 17.949 1.00 2.35 H new ATOM 0 HB3 LEU A 120 147.230 5.356 19.176 1.00 2.35 H new ATOM 0 HG LEU A 120 145.980 7.989 19.020 1.00 3.27 H new ATOM 0 HD11 LEU A 120 143.731 7.324 19.823 1.00 4.03 H new ATOM 0 HD12 LEU A 120 144.028 6.713 18.179 1.00 4.03 H new ATOM 0 HD13 LEU A 120 144.147 5.612 19.572 1.00 4.03 H new ATOM 0 HD21 LEU A 120 145.623 7.547 21.435 1.00 3.99 H new ATOM 0 HD22 LEU A 120 146.039 5.835 21.182 1.00 3.99 H new ATOM 0 HD23 LEU A 120 147.272 7.096 20.940 1.00 3.99 H new ATOM 1881 N ALA A 121 149.429 5.337 18.076 1.00 1.99 N ATOM 1882 CA ALA A 121 150.576 4.471 17.700 1.00 2.75 C ATOM 1883 C ALA A 121 150.078 3.035 17.513 1.00 2.33 C ATOM 1884 O ALA A 121 149.401 2.733 16.550 1.00 2.73 O ATOM 1885 CB ALA A 121 151.642 4.526 18.798 1.00 3.77 C ATOM 0 H ALA A 121 149.265 5.432 19.078 1.00 1.99 H new ATOM 0 HA ALA A 121 151.017 4.822 16.767 1.00 2.75 H new ATOM 0 HB1 ALA A 121 152.483 3.890 18.521 1.00 3.77 H new ATOM 0 HB2 ALA A 121 151.988 5.553 18.918 1.00 3.77 H new ATOM 0 HB3 ALA A 121 151.215 4.174 19.737 1.00 3.77 H new ATOM 1891 N ALA A 122 150.397 2.145 18.418 1.00 2.09 N ATOM 1892 CA ALA A 122 149.932 0.738 18.268 1.00 1.78 C ATOM 1893 C ALA A 122 150.194 0.277 16.834 1.00 1.05 C ATOM 1894 O ALA A 122 150.803 0.983 16.060 1.00 1.65 O ATOM 1895 CB ALA A 122 148.433 0.659 18.565 1.00 2.55 C ATOM 0 H ALA A 122 150.957 2.333 19.250 1.00 2.09 H new ATOM 0 HA ALA A 122 150.470 0.096 18.966 1.00 1.78 H new ATOM 0 HB1 ALA A 122 148.094 -0.371 18.455 1.00 2.55 H new ATOM 0 HB2 ALA A 122 148.246 0.996 19.585 1.00 2.55 H new ATOM 0 HB3 ALA A 122 147.890 1.296 17.867 1.00 2.55 H new ATOM 1901 N ARG A 123 149.729 -0.902 16.490 1.00 0.82 N ATOM 1902 CA ARG A 123 149.916 -1.458 15.112 1.00 1.46 C ATOM 1903 C ARG A 123 150.070 -2.978 15.187 1.00 1.28 C ATOM 1904 O ARG A 123 151.150 -3.510 15.020 1.00 1.98 O ATOM 1905 CB ARG A 123 151.159 -0.875 14.442 1.00 2.64 C ATOM 1906 CG ARG A 123 150.774 0.353 13.610 1.00 3.05 C ATOM 1907 CD ARG A 123 152.008 1.229 13.387 1.00 3.94 C ATOM 1908 NE ARG A 123 152.043 2.310 14.410 1.00 4.49 N ATOM 1909 CZ ARG A 123 153.134 2.527 15.092 1.00 5.28 C ATOM 1910 NH1 ARG A 123 154.257 2.760 14.469 1.00 5.89 N ATOM 1911 NH2 ARG A 123 153.102 2.510 16.396 1.00 5.76 N ATOM 0 H ARG A 123 149.216 -1.516 17.123 1.00 0.82 H new ATOM 0 HA ARG A 123 149.039 -1.190 14.523 1.00 1.46 H new ATOM 0 HB2 ARG A 123 151.894 -0.598 15.198 1.00 2.64 H new ATOM 0 HB3 ARG A 123 151.625 -1.626 13.804 1.00 2.64 H new ATOM 0 HG2 ARG A 123 150.360 0.040 12.652 1.00 3.05 H new ATOM 0 HG3 ARG A 123 149.999 0.923 14.122 1.00 3.05 H new ATOM 0 HD2 ARG A 123 152.912 0.624 13.451 1.00 3.94 H new ATOM 0 HD3 ARG A 123 151.984 1.661 12.387 1.00 3.94 H new ATOM 0 HE ARG A 123 151.214 2.881 14.578 1.00 4.49 H new ATOM 0 HH11 ARG A 123 154.282 2.772 13.449 1.00 5.89 H new ATOM 0 HH12 ARG A 123 155.110 2.930 15.002 1.00 5.89 H new ATOM 0 HH21 ARG A 123 152.224 2.327 16.882 1.00 5.76 H new ATOM 0 HH22 ARG A 123 153.955 2.680 16.929 1.00 5.76 H new ATOM 1925 N THR A 124 149.002 -3.684 15.424 1.00 0.52 N ATOM 1926 CA THR A 124 149.093 -5.166 15.493 1.00 0.43 C ATOM 1927 C THR A 124 149.618 -5.688 14.157 1.00 0.36 C ATOM 1928 O THR A 124 150.348 -6.657 14.102 1.00 0.42 O ATOM 1929 CB THR A 124 147.709 -5.748 15.770 1.00 0.46 C ATOM 1930 OG1 THR A 124 146.804 -5.278 14.788 1.00 0.40 O ATOM 1931 CG2 THR A 124 147.238 -5.302 17.154 1.00 0.59 C ATOM 0 H THR A 124 148.070 -3.298 15.573 1.00 0.52 H new ATOM 0 HA THR A 124 149.769 -5.463 16.295 1.00 0.43 H new ATOM 0 HB THR A 124 147.753 -6.837 15.737 1.00 0.46 H new ATOM 0 HG1 THR A 124 147.174 -4.479 14.358 1.00 0.40 H new ATOM 0 HG21 THR A 124 146.250 -5.717 17.353 1.00 0.59 H new ATOM 0 HG22 THR A 124 147.940 -5.657 17.909 1.00 0.59 H new ATOM 0 HG23 THR A 124 147.188 -4.214 17.188 1.00 0.59 H new ATOM 1939 N VAL A 125 149.272 -5.037 13.076 1.00 0.34 N ATOM 1940 CA VAL A 125 149.775 -5.483 11.755 1.00 0.37 C ATOM 1941 C VAL A 125 151.110 -4.783 11.507 1.00 0.49 C ATOM 1942 O VAL A 125 151.223 -3.579 11.621 1.00 0.63 O ATOM 1943 CB VAL A 125 148.750 -5.160 10.645 1.00 0.36 C ATOM 1944 CG1 VAL A 125 147.406 -4.744 11.244 1.00 0.65 C ATOM 1945 CG2 VAL A 125 149.264 -4.053 9.726 1.00 0.56 C ATOM 0 H VAL A 125 148.664 -4.218 13.057 1.00 0.34 H new ATOM 0 HA VAL A 125 149.919 -6.563 11.743 1.00 0.37 H new ATOM 0 HB VAL A 125 148.611 -6.068 10.058 1.00 0.36 H new ATOM 0 HG11 VAL A 125 146.703 -4.522 10.441 1.00 0.65 H new ATOM 0 HG12 VAL A 125 147.014 -5.556 11.856 1.00 0.65 H new ATOM 0 HG13 VAL A 125 147.542 -3.857 11.862 1.00 0.65 H new ATOM 0 HG21 VAL A 125 148.522 -3.847 8.955 1.00 0.56 H new ATOM 0 HG22 VAL A 125 149.442 -3.149 10.309 1.00 0.56 H new ATOM 0 HG23 VAL A 125 150.195 -4.372 9.258 1.00 0.56 H new ATOM 1955 N GLU A 126 152.121 -5.529 11.185 1.00 0.61 N ATOM 1956 CA GLU A 126 153.449 -4.908 10.948 1.00 0.77 C ATOM 1957 C GLU A 126 153.331 -3.856 9.849 1.00 0.68 C ATOM 1958 O GLU A 126 152.775 -4.103 8.798 1.00 0.59 O ATOM 1959 CB GLU A 126 154.442 -5.985 10.521 1.00 0.97 C ATOM 1960 CG GLU A 126 154.682 -6.950 11.682 1.00 1.13 C ATOM 1961 CD GLU A 126 156.182 -7.051 11.961 1.00 1.82 C ATOM 1962 OE1 GLU A 126 156.883 -6.093 11.677 1.00 2.49 O ATOM 1963 OE2 GLU A 126 156.605 -8.083 12.454 1.00 2.46 O ATOM 0 H GLU A 126 152.087 -6.543 11.075 1.00 0.61 H new ATOM 0 HA GLU A 126 153.799 -4.434 11.865 1.00 0.77 H new ATOM 0 HB2 GLU A 126 154.057 -6.527 9.658 1.00 0.97 H new ATOM 0 HB3 GLU A 126 155.382 -5.526 10.216 1.00 0.97 H new ATOM 0 HG2 GLU A 126 154.159 -6.601 12.572 1.00 1.13 H new ATOM 0 HG3 GLU A 126 154.279 -7.934 11.440 1.00 1.13 H new ATOM 1970 N SER A 127 153.859 -2.685 10.077 1.00 0.78 N ATOM 1971 CA SER A 127 153.783 -1.625 9.034 1.00 0.76 C ATOM 1972 C SER A 127 154.415 -2.167 7.756 1.00 0.70 C ATOM 1973 O SER A 127 153.870 -2.053 6.676 1.00 0.70 O ATOM 1974 CB SER A 127 154.548 -0.386 9.500 1.00 0.91 C ATOM 1975 OG SER A 127 155.908 -0.733 9.726 1.00 1.05 O ATOM 0 H SER A 127 154.338 -2.417 10.937 1.00 0.78 H new ATOM 0 HA SER A 127 152.744 -1.349 8.854 1.00 0.76 H new ATOM 0 HB2 SER A 127 154.481 0.401 8.749 1.00 0.91 H new ATOM 0 HB3 SER A 127 154.104 0.008 10.414 1.00 0.91 H new ATOM 0 HG SER A 127 156.403 0.059 10.023 1.00 1.05 H new ATOM 1981 N ARG A 128 155.560 -2.776 7.882 1.00 0.77 N ATOM 1982 CA ARG A 128 156.241 -3.355 6.694 1.00 0.81 C ATOM 1983 C ARG A 128 155.289 -4.318 5.998 1.00 0.71 C ATOM 1984 O ARG A 128 155.209 -4.374 4.791 1.00 0.72 O ATOM 1985 CB ARG A 128 157.466 -4.132 7.159 1.00 0.97 C ATOM 1986 CG ARG A 128 157.016 -5.348 7.970 1.00 1.05 C ATOM 1987 CD ARG A 128 158.226 -5.979 8.662 1.00 1.38 C ATOM 1988 NE ARG A 128 158.540 -7.284 8.017 1.00 1.75 N ATOM 1989 CZ ARG A 128 159.424 -8.080 8.553 1.00 2.18 C ATOM 1990 NH1 ARG A 128 160.622 -7.637 8.823 1.00 2.55 N ATOM 1991 NH2 ARG A 128 159.110 -9.318 8.820 1.00 2.93 N ATOM 0 H ARG A 128 156.056 -2.898 8.765 1.00 0.77 H new ATOM 0 HA ARG A 128 156.536 -2.559 6.010 1.00 0.81 H new ATOM 0 HB2 ARG A 128 158.056 -4.452 6.300 1.00 0.97 H new ATOM 0 HB3 ARG A 128 158.107 -3.493 7.766 1.00 0.97 H new ATOM 0 HG2 ARG A 128 156.275 -5.049 8.711 1.00 1.05 H new ATOM 0 HG3 ARG A 128 156.537 -6.077 7.316 1.00 1.05 H new ATOM 0 HD2 ARG A 128 159.085 -5.312 8.596 1.00 1.38 H new ATOM 0 HD3 ARG A 128 158.017 -6.126 9.722 1.00 1.38 H new ATOM 0 HE ARG A 128 158.064 -7.555 7.157 1.00 1.75 H new ATOM 0 HH11 ARG A 128 160.867 -6.669 8.615 1.00 2.55 H new ATOM 0 HH12 ARG A 128 161.313 -8.259 9.242 1.00 2.55 H new ATOM 0 HH21 ARG A 128 158.174 -9.663 8.610 1.00 2.93 H new ATOM 0 HH22 ARG A 128 159.801 -9.940 9.239 1.00 2.93 H new ATOM 2005 N GLN A 129 154.582 -5.088 6.766 1.00 0.67 N ATOM 2006 CA GLN A 129 153.631 -6.074 6.181 1.00 0.64 C ATOM 2007 C GLN A 129 152.472 -5.340 5.501 1.00 0.54 C ATOM 2008 O GLN A 129 151.887 -5.831 4.557 1.00 0.57 O ATOM 2009 CB GLN A 129 153.093 -6.971 7.302 1.00 0.70 C ATOM 2010 CG GLN A 129 151.844 -7.721 6.828 1.00 1.08 C ATOM 2011 CD GLN A 129 152.047 -9.224 7.022 1.00 1.70 C ATOM 2012 OE1 GLN A 129 152.888 -9.823 6.380 1.00 2.43 O ATOM 2013 NE2 GLN A 129 151.308 -9.863 7.887 1.00 2.15 N ATOM 0 H GLN A 129 154.620 -5.080 7.785 1.00 0.67 H new ATOM 0 HA GLN A 129 154.145 -6.683 5.437 1.00 0.64 H new ATOM 0 HB2 GLN A 129 153.860 -7.683 7.607 1.00 0.70 H new ATOM 0 HB3 GLN A 129 152.853 -6.367 8.177 1.00 0.70 H new ATOM 0 HG2 GLN A 129 150.971 -7.386 7.388 1.00 1.08 H new ATOM 0 HG3 GLN A 129 151.652 -7.502 5.778 1.00 1.08 H new ATOM 0 HE21 GLN A 129 150.603 -9.360 8.425 1.00 2.15 H new ATOM 0 HE22 GLN A 129 151.436 -10.866 8.025 1.00 2.15 H new ATOM 2022 N ALA A 130 152.129 -4.174 5.971 1.00 0.53 N ATOM 2023 CA ALA A 130 150.999 -3.429 5.347 1.00 0.47 C ATOM 2024 C ALA A 130 151.356 -3.050 3.911 1.00 0.45 C ATOM 2025 O ALA A 130 150.614 -3.316 2.987 1.00 0.50 O ATOM 2026 CB ALA A 130 150.708 -2.164 6.156 1.00 0.51 C ATOM 0 H ALA A 130 152.580 -3.705 6.757 1.00 0.53 H new ATOM 0 HA ALA A 130 150.113 -4.065 5.339 1.00 0.47 H new ATOM 0 HB1 ALA A 130 149.881 -1.621 5.698 1.00 0.51 H new ATOM 0 HB2 ALA A 130 150.441 -2.438 7.176 1.00 0.51 H new ATOM 0 HB3 ALA A 130 151.594 -1.530 6.171 1.00 0.51 H new ATOM 2032 N GLN A 131 152.486 -2.439 3.712 1.00 0.48 N ATOM 2033 CA GLN A 131 152.884 -2.057 2.330 1.00 0.47 C ATOM 2034 C GLN A 131 153.158 -3.328 1.534 1.00 0.46 C ATOM 2035 O GLN A 131 152.762 -3.470 0.396 1.00 0.53 O ATOM 2036 CB GLN A 131 154.156 -1.212 2.387 1.00 0.56 C ATOM 2037 CG GLN A 131 155.353 -2.093 2.751 1.00 1.60 C ATOM 2038 CD GLN A 131 156.600 -1.220 2.889 1.00 2.05 C ATOM 2039 OE1 GLN A 131 156.645 -0.068 2.276 1.00 2.53 O flip ATOM 2040 NE2 GLN A 131 157.544 -1.588 3.561 1.00 2.59 N flip ATOM 0 H GLN A 131 153.151 -2.187 4.443 1.00 0.48 H new ATOM 0 HA GLN A 131 152.088 -1.483 1.856 1.00 0.47 H new ATOM 0 HB2 GLN A 131 154.327 -0.732 1.424 1.00 0.56 H new ATOM 0 HB3 GLN A 131 154.042 -0.417 3.124 1.00 0.56 H new ATOM 0 HG2 GLN A 131 155.160 -2.621 3.685 1.00 1.60 H new ATOM 0 HG3 GLN A 131 155.509 -2.850 1.983 1.00 1.60 H new ATOM 0 HE21 GLN A 131 157.509 -2.488 4.040 1.00 2.59 H new ATOM 0 HE22 GLN A 131 158.371 -0.997 3.646 1.00 2.59 H new ATOM 2049 N ASP A 132 153.845 -4.246 2.142 1.00 0.53 N ATOM 2050 CA ASP A 132 154.179 -5.526 1.465 1.00 0.58 C ATOM 2051 C ASP A 132 152.941 -6.099 0.773 1.00 0.57 C ATOM 2052 O ASP A 132 152.907 -6.241 -0.433 1.00 0.72 O ATOM 2053 CB ASP A 132 154.689 -6.522 2.508 1.00 0.66 C ATOM 2054 CG ASP A 132 156.204 -6.377 2.653 1.00 0.73 C ATOM 2055 OD1 ASP A 132 156.906 -6.742 1.724 1.00 1.31 O ATOM 2056 OD2 ASP A 132 156.638 -5.902 3.690 1.00 1.31 O ATOM 0 H ASP A 132 154.196 -4.164 3.096 1.00 0.53 H new ATOM 0 HA ASP A 132 154.948 -5.346 0.714 1.00 0.58 H new ATOM 0 HB2 ASP A 132 154.202 -6.342 3.467 1.00 0.66 H new ATOM 0 HB3 ASP A 132 154.437 -7.539 2.209 1.00 0.66 H new ATOM 2061 N LEU A 133 151.929 -6.440 1.520 1.00 0.57 N ATOM 2062 CA LEU A 133 150.707 -7.013 0.891 1.00 0.58 C ATOM 2063 C LEU A 133 150.181 -6.055 -0.181 1.00 0.51 C ATOM 2064 O LEU A 133 149.688 -6.475 -1.209 1.00 0.59 O ATOM 2065 CB LEU A 133 149.637 -7.224 1.959 1.00 0.64 C ATOM 2066 CG LEU A 133 149.477 -5.950 2.767 1.00 0.64 C ATOM 2067 CD1 LEU A 133 148.309 -5.141 2.212 1.00 1.02 C ATOM 2068 CD2 LEU A 133 149.207 -6.327 4.218 1.00 1.08 C ATOM 0 H LEU A 133 151.895 -6.347 2.535 1.00 0.57 H new ATOM 0 HA LEU A 133 150.952 -7.969 0.429 1.00 0.58 H new ATOM 0 HB2 LEU A 133 148.690 -7.494 1.493 1.00 0.64 H new ATOM 0 HB3 LEU A 133 149.917 -8.050 2.613 1.00 0.64 H new ATOM 0 HG LEU A 133 150.383 -5.347 2.706 1.00 0.64 H new ATOM 0 HD11 LEU A 133 148.193 -4.225 2.792 1.00 1.02 H new ATOM 0 HD12 LEU A 133 148.504 -4.889 1.170 1.00 1.02 H new ATOM 0 HD13 LEU A 133 147.394 -5.730 2.278 1.00 1.02 H new ATOM 0 HD21 LEU A 133 149.089 -5.422 4.813 1.00 1.08 H new ATOM 0 HD22 LEU A 133 148.295 -6.921 4.276 1.00 1.08 H new ATOM 0 HD23 LEU A 133 150.044 -6.909 4.604 1.00 1.08 H new ATOM 2080 N ALA A 134 150.282 -4.771 0.042 1.00 0.44 N ATOM 2081 CA ALA A 134 149.786 -3.805 -0.979 1.00 0.43 C ATOM 2082 C ALA A 134 150.527 -4.049 -2.294 1.00 0.45 C ATOM 2083 O ALA A 134 149.965 -3.948 -3.365 1.00 0.57 O ATOM 2084 CB ALA A 134 150.031 -2.368 -0.502 1.00 0.43 C ATOM 0 H ALA A 134 150.684 -4.353 0.881 1.00 0.44 H new ATOM 0 HA ALA A 134 148.716 -3.947 -1.128 1.00 0.43 H new ATOM 0 HB1 ALA A 134 149.666 -1.668 -1.253 1.00 0.43 H new ATOM 0 HB2 ALA A 134 149.503 -2.201 0.437 1.00 0.43 H new ATOM 0 HB3 ALA A 134 151.099 -2.212 -0.350 1.00 0.43 H new ATOM 2090 N ARG A 135 151.784 -4.386 -2.219 1.00 0.43 N ATOM 2091 CA ARG A 135 152.556 -4.651 -3.464 1.00 0.50 C ATOM 2092 C ARG A 135 152.095 -5.982 -4.058 1.00 0.56 C ATOM 2093 O ARG A 135 152.199 -6.213 -5.247 1.00 0.66 O ATOM 2094 CB ARG A 135 154.049 -4.723 -3.138 1.00 0.55 C ATOM 2095 CG ARG A 135 154.816 -3.756 -4.042 1.00 0.84 C ATOM 2096 CD ARG A 135 155.827 -2.967 -3.208 1.00 1.40 C ATOM 2097 NE ARG A 135 156.646 -2.107 -4.107 1.00 1.85 N ATOM 2098 CZ ARG A 135 157.672 -2.611 -4.736 1.00 2.59 C ATOM 2099 NH1 ARG A 135 158.509 -3.386 -4.102 1.00 3.25 N ATOM 2100 NH2 ARG A 135 157.861 -2.342 -5.999 1.00 3.21 N ATOM 0 H ARG A 135 152.309 -4.489 -1.351 1.00 0.43 H new ATOM 0 HA ARG A 135 152.387 -3.848 -4.181 1.00 0.50 H new ATOM 0 HB2 ARG A 135 154.216 -4.469 -2.091 1.00 0.55 H new ATOM 0 HB3 ARG A 135 154.415 -5.740 -3.282 1.00 0.55 H new ATOM 0 HG2 ARG A 135 155.330 -4.308 -4.829 1.00 0.84 H new ATOM 0 HG3 ARG A 135 154.122 -3.073 -4.533 1.00 0.84 H new ATOM 0 HD2 ARG A 135 155.308 -2.353 -2.473 1.00 1.40 H new ATOM 0 HD3 ARG A 135 156.471 -3.651 -2.655 1.00 1.40 H new ATOM 0 HE ARG A 135 156.405 -1.124 -4.231 1.00 1.85 H new ATOM 0 HH11 ARG A 135 158.361 -3.597 -3.115 1.00 3.25 H new ATOM 0 HH12 ARG A 135 159.311 -3.780 -4.593 1.00 3.25 H new ATOM 0 HH21 ARG A 135 157.206 -1.737 -6.495 1.00 3.21 H new ATOM 0 HH22 ARG A 135 158.663 -2.736 -6.490 1.00 3.21 H new ATOM 2114 N SER A 136 151.576 -6.858 -3.239 1.00 0.56 N ATOM 2115 CA SER A 136 151.097 -8.171 -3.755 1.00 0.65 C ATOM 2116 C SER A 136 149.904 -7.932 -4.676 1.00 0.60 C ATOM 2117 O SER A 136 149.857 -8.406 -5.793 1.00 0.66 O ATOM 2118 CB SER A 136 150.667 -9.055 -2.585 1.00 0.79 C ATOM 2119 OG SER A 136 151.819 -9.606 -1.961 1.00 0.93 O ATOM 0 H SER A 136 151.464 -6.720 -2.235 1.00 0.56 H new ATOM 0 HA SER A 136 151.898 -8.667 -4.304 1.00 0.65 H new ATOM 0 HB2 SER A 136 150.094 -8.471 -1.865 1.00 0.79 H new ATOM 0 HB3 SER A 136 150.015 -9.853 -2.939 1.00 0.79 H new ATOM 0 HG SER A 136 151.545 -10.172 -1.209 1.00 0.93 H new ATOM 2125 N TYR A 137 148.943 -7.189 -4.210 1.00 0.58 N ATOM 2126 CA TYR A 137 147.749 -6.898 -5.041 1.00 0.62 C ATOM 2127 C TYR A 137 148.089 -5.783 -6.033 1.00 0.60 C ATOM 2128 O TYR A 137 147.302 -5.442 -6.893 1.00 0.71 O ATOM 2129 CB TYR A 137 146.608 -6.461 -4.124 1.00 0.67 C ATOM 2130 CG TYR A 137 146.688 -7.231 -2.822 1.00 0.64 C ATOM 2131 CD1 TYR A 137 147.103 -8.569 -2.829 1.00 0.92 C ATOM 2132 CD2 TYR A 137 146.352 -6.612 -1.610 1.00 0.69 C ATOM 2133 CE1 TYR A 137 147.182 -9.285 -1.629 1.00 0.96 C ATOM 2134 CE2 TYR A 137 146.432 -7.329 -0.410 1.00 0.71 C ATOM 2135 CZ TYR A 137 146.847 -8.665 -0.420 1.00 0.71 C ATOM 2136 OH TYR A 137 146.926 -9.372 0.763 1.00 0.81 O ATOM 0 H TYR A 137 148.935 -6.768 -3.281 1.00 0.58 H new ATOM 0 HA TYR A 137 147.445 -7.785 -5.596 1.00 0.62 H new ATOM 0 HB2 TYR A 137 146.671 -5.390 -3.931 1.00 0.67 H new ATOM 0 HB3 TYR A 137 145.648 -6.641 -4.608 1.00 0.67 H new ATOM 0 HD1 TYR A 137 147.362 -9.049 -3.761 1.00 0.92 H new ATOM 0 HD2 TYR A 137 146.031 -5.581 -1.602 1.00 0.69 H new ATOM 0 HE1 TYR A 137 147.502 -10.317 -1.636 1.00 0.96 H new ATOM 0 HE2 TYR A 137 146.173 -6.851 0.523 1.00 0.71 H new ATOM 0 HH TYR A 137 146.896 -8.749 1.519 1.00 0.81 H new ATOM 2146 N GLY A 138 149.263 -5.219 -5.925 1.00 0.55 N ATOM 2147 CA GLY A 138 149.660 -4.135 -6.865 1.00 0.64 C ATOM 2148 C GLY A 138 149.058 -2.811 -6.403 1.00 0.63 C ATOM 2149 O GLY A 138 149.127 -1.814 -7.092 1.00 0.86 O ATOM 0 H GLY A 138 149.963 -5.464 -5.225 1.00 0.55 H new ATOM 0 HA2 GLY A 138 150.746 -4.057 -6.908 1.00 0.64 H new ATOM 0 HA3 GLY A 138 149.317 -4.370 -7.873 1.00 0.64 H new ATOM 2153 N ILE A 139 148.463 -2.791 -5.243 1.00 0.49 N ATOM 2154 CA ILE A 139 147.856 -1.525 -4.753 1.00 0.50 C ATOM 2155 C ILE A 139 148.733 -0.913 -3.652 1.00 0.45 C ATOM 2156 O ILE A 139 149.475 -1.611 -2.990 1.00 0.46 O ATOM 2157 CB ILE A 139 146.426 -1.782 -4.237 1.00 0.53 C ATOM 2158 CG1 ILE A 139 146.410 -2.130 -2.731 1.00 1.00 C ATOM 2159 CG2 ILE A 139 145.771 -2.923 -5.035 1.00 0.86 C ATOM 2160 CD1 ILE A 139 146.719 -3.605 -2.520 1.00 0.49 C ATOM 0 H ILE A 139 148.372 -3.591 -4.617 1.00 0.49 H new ATOM 0 HA ILE A 139 147.796 -0.817 -5.579 1.00 0.50 H new ATOM 0 HB ILE A 139 145.860 -0.861 -4.376 1.00 0.53 H new ATOM 0 HG12 ILE A 139 147.143 -1.520 -2.203 1.00 1.00 H new ATOM 0 HG13 ILE A 139 145.434 -1.893 -2.308 1.00 1.00 H new ATOM 0 HG21 ILE A 139 144.762 -3.095 -4.662 1.00 0.86 H new ATOM 0 HG22 ILE A 139 145.726 -2.651 -6.089 1.00 0.86 H new ATOM 0 HG23 ILE A 139 146.361 -3.833 -4.920 1.00 0.86 H new ATOM 0 HD11 ILE A 139 146.703 -3.831 -1.454 1.00 0.49 H new ATOM 0 HD12 ILE A 139 145.970 -4.210 -3.030 1.00 0.49 H new ATOM 0 HD13 ILE A 139 147.706 -3.832 -2.924 1.00 0.49 H new ATOM 2172 N PRO A 140 148.616 0.383 -3.498 1.00 0.46 N ATOM 2173 CA PRO A 140 149.382 1.145 -2.493 1.00 0.46 C ATOM 2174 C PRO A 140 148.760 1.010 -1.096 1.00 0.38 C ATOM 2175 O PRO A 140 147.589 0.725 -0.943 1.00 0.40 O ATOM 2176 CB PRO A 140 149.277 2.591 -2.985 1.00 0.55 C ATOM 2177 CG PRO A 140 148.017 2.657 -3.881 1.00 0.58 C ATOM 2178 CD PRO A 140 147.711 1.213 -4.320 1.00 0.54 C ATOM 0 HA PRO A 140 150.409 0.793 -2.397 1.00 0.46 H new ATOM 0 HB2 PRO A 140 149.193 3.282 -2.146 1.00 0.55 H new ATOM 0 HB3 PRO A 140 150.167 2.876 -3.545 1.00 0.55 H new ATOM 0 HG2 PRO A 140 147.175 3.082 -3.334 1.00 0.58 H new ATOM 0 HG3 PRO A 140 148.191 3.296 -4.747 1.00 0.58 H new ATOM 0 HD2 PRO A 140 146.666 0.957 -4.144 1.00 0.54 H new ATOM 0 HD3 PRO A 140 147.899 1.072 -5.384 1.00 0.54 H new ATOM 2186 N TYR A 141 149.553 1.222 -0.083 1.00 0.34 N ATOM 2187 CA TYR A 141 149.055 1.124 1.319 1.00 0.29 C ATOM 2188 C TYR A 141 148.933 2.534 1.923 1.00 0.29 C ATOM 2189 O TYR A 141 149.894 3.094 2.411 1.00 0.47 O ATOM 2190 CB TYR A 141 150.050 0.291 2.144 1.00 0.33 C ATOM 2191 CG TYR A 141 149.873 0.602 3.611 1.00 0.30 C ATOM 2192 CD1 TYR A 141 148.594 0.598 4.166 1.00 1.13 C ATOM 2193 CD2 TYR A 141 150.980 0.919 4.406 1.00 1.18 C ATOM 2194 CE1 TYR A 141 148.414 0.908 5.511 1.00 1.14 C ATOM 2195 CE2 TYR A 141 150.801 1.226 5.759 1.00 1.19 C ATOM 2196 CZ TYR A 141 149.516 1.221 6.312 1.00 0.36 C ATOM 2197 OH TYR A 141 149.337 1.528 7.643 1.00 0.43 O ATOM 0 H TYR A 141 150.541 1.463 -0.168 1.00 0.34 H new ATOM 0 HA TYR A 141 148.076 0.646 1.331 1.00 0.29 H new ATOM 0 HB2 TYR A 141 149.887 -0.772 1.965 1.00 0.33 H new ATOM 0 HB3 TYR A 141 151.071 0.514 1.835 1.00 0.33 H new ATOM 0 HD1 TYR A 141 147.741 0.354 3.551 1.00 1.13 H new ATOM 0 HD2 TYR A 141 151.971 0.927 3.976 1.00 1.18 H new ATOM 0 HE1 TYR A 141 147.421 0.907 5.936 1.00 1.14 H new ATOM 0 HE2 TYR A 141 151.654 1.467 6.376 1.00 1.19 H new ATOM 0 HH TYR A 141 150.206 1.535 8.097 1.00 0.43 H new ATOM 2207 N ILE A 142 147.756 3.100 1.910 1.00 0.27 N ATOM 2208 CA ILE A 142 147.565 4.458 2.498 1.00 0.27 C ATOM 2209 C ILE A 142 147.133 4.308 3.956 1.00 0.29 C ATOM 2210 O ILE A 142 146.255 3.534 4.268 1.00 0.51 O ATOM 2211 CB ILE A 142 146.459 5.188 1.738 1.00 0.28 C ATOM 2212 CG1 ILE A 142 146.151 6.524 2.428 1.00 0.33 C ATOM 2213 CG2 ILE A 142 145.204 4.313 1.743 1.00 0.31 C ATOM 2214 CD1 ILE A 142 144.897 7.143 1.803 1.00 0.30 C ATOM 0 H ILE A 142 146.915 2.679 1.516 1.00 0.27 H new ATOM 0 HA ILE A 142 148.496 5.020 2.432 1.00 0.27 H new ATOM 0 HB ILE A 142 146.779 5.381 0.714 1.00 0.28 H new ATOM 0 HG12 ILE A 142 145.999 6.368 3.496 1.00 0.33 H new ATOM 0 HG13 ILE A 142 146.997 7.204 2.323 1.00 0.33 H new ATOM 0 HG21 ILE A 142 144.404 4.821 1.204 1.00 0.31 H new ATOM 0 HG22 ILE A 142 145.422 3.362 1.258 1.00 0.31 H new ATOM 0 HG23 ILE A 142 144.890 4.132 2.771 1.00 0.31 H new ATOM 0 HD11 ILE A 142 144.677 8.092 2.292 1.00 0.30 H new ATOM 0 HD12 ILE A 142 145.067 7.314 0.740 1.00 0.30 H new ATOM 0 HD13 ILE A 142 144.054 6.465 1.932 1.00 0.30 H new ATOM 2226 N GLU A 143 147.725 5.040 4.852 1.00 0.38 N ATOM 2227 CA GLU A 143 147.315 4.920 6.278 1.00 0.38 C ATOM 2228 C GLU A 143 146.478 6.139 6.661 1.00 0.43 C ATOM 2229 O GLU A 143 146.985 7.235 6.795 1.00 0.56 O ATOM 2230 CB GLU A 143 148.557 4.851 7.169 1.00 0.49 C ATOM 2231 CG GLU A 143 149.652 4.050 6.461 1.00 0.50 C ATOM 2232 CD GLU A 143 150.678 5.010 5.857 1.00 1.17 C ATOM 2233 OE1 GLU A 143 151.280 5.755 6.612 1.00 1.89 O ATOM 2234 OE2 GLU A 143 150.847 4.982 4.649 1.00 1.78 O ATOM 0 H GLU A 143 148.469 5.712 4.664 1.00 0.38 H new ATOM 0 HA GLU A 143 146.728 4.012 6.414 1.00 0.38 H new ATOM 0 HB2 GLU A 143 148.914 5.857 7.391 1.00 0.49 H new ATOM 0 HB3 GLU A 143 148.308 4.383 8.122 1.00 0.49 H new ATOM 0 HG2 GLU A 143 150.139 3.377 7.167 1.00 0.50 H new ATOM 0 HG3 GLU A 143 149.215 3.429 5.679 1.00 0.50 H new ATOM 2241 N THR A 144 145.196 5.962 6.832 1.00 0.44 N ATOM 2242 CA THR A 144 144.333 7.119 7.197 1.00 0.58 C ATOM 2243 C THR A 144 143.593 6.837 8.500 1.00 0.51 C ATOM 2244 O THR A 144 143.989 6.013 9.297 1.00 0.98 O ATOM 2245 CB THR A 144 143.296 7.356 6.100 1.00 0.78 C ATOM 2246 OG1 THR A 144 142.152 6.554 6.354 1.00 1.18 O ATOM 2247 CG2 THR A 144 143.877 6.991 4.738 1.00 0.53 C ATOM 0 H THR A 144 144.711 5.070 6.735 1.00 0.44 H new ATOM 0 HA THR A 144 144.969 7.997 7.315 1.00 0.58 H new ATOM 0 HB THR A 144 143.017 8.410 6.096 1.00 0.78 H new ATOM 0 HG1 THR A 144 141.723 6.318 5.505 1.00 1.18 H new ATOM 0 HG21 THR A 144 143.128 7.164 3.965 1.00 0.53 H new ATOM 0 HG22 THR A 144 144.753 7.608 4.539 1.00 0.53 H new ATOM 0 HG23 THR A 144 144.165 5.940 4.735 1.00 0.53 H new ATOM 2255 N SER A 145 142.506 7.525 8.705 1.00 0.49 N ATOM 2256 CA SER A 145 141.697 7.327 9.935 1.00 0.43 C ATOM 2257 C SER A 145 140.307 7.908 9.684 1.00 0.40 C ATOM 2258 O SER A 145 140.141 9.101 9.567 1.00 0.45 O ATOM 2259 CB SER A 145 142.353 8.054 11.108 1.00 0.55 C ATOM 2260 OG SER A 145 141.348 8.479 12.017 1.00 1.32 O ATOM 0 H SER A 145 142.140 8.226 8.061 1.00 0.49 H new ATOM 0 HA SER A 145 141.629 6.266 10.176 1.00 0.43 H new ATOM 0 HB2 SER A 145 143.059 7.394 11.611 1.00 0.55 H new ATOM 0 HB3 SER A 145 142.920 8.912 10.748 1.00 0.55 H new ATOM 0 HG SER A 145 141.693 8.429 12.933 1.00 1.32 H new ATOM 2266 N ALA A 146 139.313 7.077 9.576 1.00 0.41 N ATOM 2267 CA ALA A 146 137.939 7.586 9.308 1.00 0.44 C ATOM 2268 C ALA A 146 137.573 8.690 10.306 1.00 0.46 C ATOM 2269 O ALA A 146 136.689 9.487 10.062 1.00 0.55 O ATOM 2270 CB ALA A 146 136.948 6.433 9.431 1.00 0.46 C ATOM 0 H ALA A 146 139.391 6.064 9.662 1.00 0.41 H new ATOM 0 HA ALA A 146 137.902 8.003 8.301 1.00 0.44 H new ATOM 0 HB1 ALA A 146 135.939 6.798 9.236 1.00 0.46 H new ATOM 0 HB2 ALA A 146 137.200 5.658 8.707 1.00 0.46 H new ATOM 0 HB3 ALA A 146 136.996 6.018 10.438 1.00 0.46 H new ATOM 2276 N LYS A 147 138.236 8.743 11.426 1.00 0.47 N ATOM 2277 CA LYS A 147 137.912 9.797 12.432 1.00 0.53 C ATOM 2278 C LYS A 147 138.623 11.104 12.069 1.00 0.52 C ATOM 2279 O LYS A 147 138.107 12.182 12.287 1.00 0.75 O ATOM 2280 CB LYS A 147 138.367 9.337 13.820 1.00 0.63 C ATOM 2281 CG LYS A 147 137.496 10.000 14.890 1.00 0.85 C ATOM 2282 CD LYS A 147 138.313 11.062 15.631 1.00 1.16 C ATOM 2283 CE LYS A 147 137.864 11.129 17.093 1.00 1.59 C ATOM 2284 NZ LYS A 147 137.880 12.548 17.550 1.00 2.03 N ATOM 0 H LYS A 147 138.987 8.105 11.690 1.00 0.47 H new ATOM 0 HA LYS A 147 136.835 9.966 12.437 1.00 0.53 H new ATOM 0 HB2 LYS A 147 138.293 8.252 13.897 1.00 0.63 H new ATOM 0 HB3 LYS A 147 139.414 9.597 13.976 1.00 0.63 H new ATOM 0 HG2 LYS A 147 136.620 10.457 14.429 1.00 0.85 H new ATOM 0 HG3 LYS A 147 137.132 9.251 15.593 1.00 0.85 H new ATOM 0 HD2 LYS A 147 139.375 10.821 15.577 1.00 1.16 H new ATOM 0 HD3 LYS A 147 138.182 12.034 15.155 1.00 1.16 H new ATOM 0 HE2 LYS A 147 136.862 10.713 17.197 1.00 1.59 H new ATOM 0 HE3 LYS A 147 138.525 10.527 17.716 1.00 1.59 H new ATOM 0 HZ1 LYS A 147 137.575 12.596 18.543 1.00 2.03 H new ATOM 0 HZ2 LYS A 147 138.844 12.929 17.465 1.00 2.03 H new ATOM 0 HZ3 LYS A 147 137.232 13.110 16.961 1.00 2.03 H new ATOM 2298 N THR A 148 139.804 11.019 11.525 1.00 0.42 N ATOM 2299 CA THR A 148 140.547 12.260 11.159 1.00 0.41 C ATOM 2300 C THR A 148 140.226 12.660 9.714 1.00 0.38 C ATOM 2301 O THR A 148 140.568 13.740 9.275 1.00 0.53 O ATOM 2302 CB THR A 148 142.052 12.010 11.288 1.00 0.46 C ATOM 2303 OG1 THR A 148 142.433 10.973 10.396 1.00 0.53 O ATOM 2304 CG2 THR A 148 142.387 11.601 12.723 1.00 0.51 C ATOM 0 H THR A 148 140.288 10.146 11.317 1.00 0.42 H new ATOM 0 HA THR A 148 140.245 13.064 11.830 1.00 0.41 H new ATOM 0 HB THR A 148 142.594 12.923 11.041 1.00 0.46 H new ATOM 0 HG1 THR A 148 143.398 11.021 10.232 1.00 0.53 H new ATOM 0 HG21 THR A 148 143.459 11.424 12.810 1.00 0.51 H new ATOM 0 HG22 THR A 148 142.094 12.398 13.406 1.00 0.51 H new ATOM 0 HG23 THR A 148 141.847 10.689 12.977 1.00 0.51 H new ATOM 2312 N ARG A 149 139.576 11.802 8.972 1.00 0.33 N ATOM 2313 CA ARG A 149 139.244 12.139 7.556 1.00 0.35 C ATOM 2314 C ARG A 149 140.453 12.808 6.903 1.00 0.36 C ATOM 2315 O ARG A 149 140.322 13.609 5.999 1.00 0.46 O ATOM 2316 CB ARG A 149 138.057 13.103 7.513 1.00 0.53 C ATOM 2317 CG ARG A 149 137.196 12.941 8.771 1.00 1.39 C ATOM 2318 CD ARG A 149 136.232 14.123 8.881 1.00 1.76 C ATOM 2319 NE ARG A 149 137.011 15.378 9.075 1.00 2.16 N ATOM 2320 CZ ARG A 149 136.526 16.519 8.669 1.00 2.54 C ATOM 2321 NH1 ARG A 149 135.543 17.079 9.320 1.00 3.00 N ATOM 2322 NH2 ARG A 149 137.025 17.102 7.613 1.00 3.10 N ATOM 0 H ARG A 149 139.261 10.884 9.285 1.00 0.33 H new ATOM 0 HA ARG A 149 138.986 11.225 7.021 1.00 0.35 H new ATOM 0 HB2 ARG A 149 138.416 14.130 7.439 1.00 0.53 H new ATOM 0 HB3 ARG A 149 137.455 12.911 6.625 1.00 0.53 H new ATOM 0 HG2 ARG A 149 136.638 12.006 8.726 1.00 1.39 H new ATOM 0 HG3 ARG A 149 137.831 12.891 9.656 1.00 1.39 H new ATOM 0 HD2 ARG A 149 135.623 14.195 7.980 1.00 1.76 H new ATOM 0 HD3 ARG A 149 135.548 13.973 9.717 1.00 1.76 H new ATOM 0 HE ARG A 149 137.925 15.345 9.526 1.00 2.16 H new ATOM 0 HH11 ARG A 149 135.154 16.625 10.146 1.00 3.00 H new ATOM 0 HH12 ARG A 149 135.164 17.971 9.003 1.00 3.00 H new ATOM 0 HH21 ARG A 149 137.794 16.665 7.105 1.00 3.10 H new ATOM 0 HH22 ARG A 149 136.646 17.994 7.296 1.00 3.10 H new ATOM 2336 N GLN A 150 141.629 12.489 7.363 1.00 0.36 N ATOM 2337 CA GLN A 150 142.853 13.111 6.782 1.00 0.48 C ATOM 2338 C GLN A 150 143.374 12.244 5.638 1.00 0.61 C ATOM 2339 O GLN A 150 143.686 12.726 4.567 1.00 1.34 O ATOM 2340 CB GLN A 150 143.924 13.236 7.874 1.00 0.49 C ATOM 2341 CG GLN A 150 145.305 13.422 7.238 1.00 1.04 C ATOM 2342 CD GLN A 150 146.131 14.399 8.077 1.00 1.53 C ATOM 2343 OE1 GLN A 150 146.180 15.577 7.786 1.00 2.17 O ATOM 2344 NE2 GLN A 150 146.787 13.956 9.115 1.00 2.12 N ATOM 0 H GLN A 150 141.797 11.823 8.117 1.00 0.36 H new ATOM 0 HA GLN A 150 142.614 14.102 6.396 1.00 0.48 H new ATOM 0 HB2 GLN A 150 143.697 14.082 8.522 1.00 0.49 H new ATOM 0 HB3 GLN A 150 143.921 12.344 8.501 1.00 0.49 H new ATOM 0 HG2 GLN A 150 145.817 12.462 7.170 1.00 1.04 H new ATOM 0 HG3 GLN A 150 145.200 13.800 6.221 1.00 1.04 H new ATOM 0 HE21 GLN A 150 146.746 12.967 9.360 1.00 2.12 H new ATOM 0 HE22 GLN A 150 147.340 14.599 9.681 1.00 2.12 H new ATOM 2353 N GLY A 151 143.469 10.968 5.860 1.00 0.35 N ATOM 2354 CA GLY A 151 143.970 10.060 4.791 1.00 0.35 C ATOM 2355 C GLY A 151 142.778 9.505 4.018 1.00 0.28 C ATOM 2356 O GLY A 151 142.860 9.229 2.847 1.00 0.27 O ATOM 0 H GLY A 151 143.221 10.510 6.737 1.00 0.35 H new ATOM 0 HA2 GLY A 151 144.637 10.600 4.119 1.00 0.35 H new ATOM 0 HA3 GLY A 151 144.548 9.246 5.228 1.00 0.35 H new ATOM 2360 N VAL A 152 141.672 9.345 4.681 1.00 0.29 N ATOM 2361 CA VAL A 152 140.449 8.826 4.043 1.00 0.26 C ATOM 2362 C VAL A 152 140.292 9.401 2.633 1.00 0.25 C ATOM 2363 O VAL A 152 139.818 8.734 1.735 1.00 0.26 O ATOM 2364 CB VAL A 152 139.280 9.265 4.919 1.00 0.29 C ATOM 2365 CG1 VAL A 152 139.602 9.023 6.397 1.00 0.34 C ATOM 2366 CG2 VAL A 152 139.004 10.757 4.705 1.00 0.33 C ATOM 0 H VAL A 152 141.568 9.562 5.672 1.00 0.29 H new ATOM 0 HA VAL A 152 140.491 7.741 3.951 1.00 0.26 H new ATOM 0 HB VAL A 152 138.401 8.683 4.642 1.00 0.29 H new ATOM 0 HG11 VAL A 152 138.759 9.341 7.010 1.00 0.34 H new ATOM 0 HG12 VAL A 152 139.789 7.962 6.560 1.00 0.34 H new ATOM 0 HG13 VAL A 152 140.488 9.594 6.675 1.00 0.34 H new ATOM 0 HG21 VAL A 152 138.168 11.066 5.333 1.00 0.33 H new ATOM 0 HG22 VAL A 152 139.890 11.333 4.971 1.00 0.33 H new ATOM 0 HG23 VAL A 152 138.757 10.935 3.658 1.00 0.33 H new ATOM 2376 N GLU A 153 140.672 10.630 2.428 1.00 0.27 N ATOM 2377 CA GLU A 153 140.523 11.227 1.072 1.00 0.29 C ATOM 2378 C GLU A 153 141.545 10.607 0.123 1.00 0.25 C ATOM 2379 O GLU A 153 141.233 10.269 -1.000 1.00 0.28 O ATOM 2380 CB GLU A 153 140.740 12.741 1.144 1.00 0.35 C ATOM 2381 CG GLU A 153 139.678 13.368 2.049 1.00 0.46 C ATOM 2382 CD GLU A 153 139.694 14.888 1.878 1.00 1.03 C ATOM 2383 OE1 GLU A 153 139.293 15.350 0.823 1.00 1.70 O ATOM 2384 OE2 GLU A 153 140.109 15.564 2.805 1.00 1.77 O ATOM 0 H GLU A 153 141.077 11.244 3.135 1.00 0.27 H new ATOM 0 HA GLU A 153 139.518 11.027 0.702 1.00 0.29 H new ATOM 0 HB2 GLU A 153 141.736 12.958 1.530 1.00 0.35 H new ATOM 0 HB3 GLU A 153 140.684 13.175 0.146 1.00 0.35 H new ATOM 0 HG2 GLU A 153 138.693 12.974 1.799 1.00 0.46 H new ATOM 0 HG3 GLU A 153 139.871 13.106 3.089 1.00 0.46 H new ATOM 2391 N ASP A 154 142.760 10.445 0.562 1.00 0.25 N ATOM 2392 CA ASP A 154 143.783 9.835 -0.321 1.00 0.24 C ATOM 2393 C ASP A 154 143.532 8.330 -0.391 1.00 0.21 C ATOM 2394 O ASP A 154 144.067 7.642 -1.228 1.00 0.23 O ATOM 2395 CB ASP A 154 145.175 10.105 0.247 1.00 0.28 C ATOM 2396 CG ASP A 154 145.598 11.533 -0.100 1.00 1.01 C ATOM 2397 OD1 ASP A 154 144.849 12.199 -0.796 1.00 1.79 O ATOM 2398 OD2 ASP A 154 146.663 11.938 0.336 1.00 1.69 O ATOM 0 H ASP A 154 143.086 10.709 1.492 1.00 0.25 H new ATOM 0 HA ASP A 154 143.721 10.266 -1.320 1.00 0.24 H new ATOM 0 HB2 ASP A 154 145.171 9.968 1.328 1.00 0.28 H new ATOM 0 HB3 ASP A 154 145.891 9.392 -0.162 1.00 0.28 H new ATOM 2403 N ALA A 155 142.709 7.816 0.485 1.00 0.21 N ATOM 2404 CA ALA A 155 142.407 6.359 0.473 1.00 0.19 C ATOM 2405 C ALA A 155 141.418 6.091 -0.652 1.00 0.18 C ATOM 2406 O ALA A 155 141.587 5.194 -1.459 1.00 0.20 O ATOM 2407 CB ALA A 155 141.774 5.947 1.815 1.00 0.21 C ATOM 0 H ALA A 155 142.231 8.349 1.212 1.00 0.21 H new ATOM 0 HA ALA A 155 143.323 5.787 0.323 1.00 0.19 H new ATOM 0 HB1 ALA A 155 141.555 4.879 1.801 1.00 0.21 H new ATOM 0 HB2 ALA A 155 142.468 6.164 2.627 1.00 0.21 H new ATOM 0 HB3 ALA A 155 140.850 6.505 1.968 1.00 0.21 H new ATOM 2413 N PHE A 156 140.384 6.875 -0.706 1.00 0.19 N ATOM 2414 CA PHE A 156 139.363 6.693 -1.759 1.00 0.20 C ATOM 2415 C PHE A 156 139.819 7.383 -3.047 1.00 0.21 C ATOM 2416 O PHE A 156 139.329 7.097 -4.122 1.00 0.24 O ATOM 2417 CB PHE A 156 138.058 7.302 -1.255 1.00 0.23 C ATOM 2418 CG PHE A 156 137.444 6.364 -0.252 1.00 0.22 C ATOM 2419 CD1 PHE A 156 138.004 6.248 1.028 1.00 1.24 C ATOM 2420 CD2 PHE A 156 136.326 5.602 -0.603 1.00 1.18 C ATOM 2421 CE1 PHE A 156 137.439 5.366 1.957 1.00 1.24 C ATOM 2422 CE2 PHE A 156 135.760 4.722 0.326 1.00 1.18 C ATOM 2423 CZ PHE A 156 136.315 4.603 1.605 1.00 0.23 C ATOM 0 H PHE A 156 140.203 7.641 -0.058 1.00 0.19 H new ATOM 0 HA PHE A 156 139.218 5.635 -1.978 1.00 0.20 H new ATOM 0 HB2 PHE A 156 138.246 8.274 -0.798 1.00 0.23 H new ATOM 0 HB3 PHE A 156 137.373 7.468 -2.086 1.00 0.23 H new ATOM 0 HD1 PHE A 156 138.868 6.837 1.297 1.00 1.24 H new ATOM 0 HD2 PHE A 156 135.899 5.692 -1.591 1.00 1.18 H new ATOM 0 HE1 PHE A 156 137.868 5.273 2.944 1.00 1.24 H new ATOM 0 HE2 PHE A 156 134.895 4.135 0.056 1.00 1.18 H new ATOM 0 HZ PHE A 156 135.878 3.923 2.322 1.00 0.23 H new ATOM 2433 N TYR A 157 140.765 8.279 -2.954 1.00 0.22 N ATOM 2434 CA TYR A 157 141.251 8.968 -4.175 1.00 0.24 C ATOM 2435 C TYR A 157 142.362 8.139 -4.810 1.00 0.26 C ATOM 2436 O TYR A 157 142.630 8.254 -5.987 1.00 0.37 O ATOM 2437 CB TYR A 157 141.774 10.354 -3.810 1.00 0.28 C ATOM 2438 CG TYR A 157 140.617 11.271 -3.477 1.00 0.29 C ATOM 2439 CD1 TYR A 157 139.293 10.809 -3.553 1.00 1.18 C ATOM 2440 CD2 TYR A 157 140.871 12.590 -3.092 1.00 1.17 C ATOM 2441 CE1 TYR A 157 138.234 11.663 -3.240 1.00 1.19 C ATOM 2442 CE2 TYR A 157 139.810 13.444 -2.778 1.00 1.22 C ATOM 2443 CZ TYR A 157 138.490 12.980 -2.850 1.00 0.45 C ATOM 2444 OH TYR A 157 137.443 13.823 -2.540 1.00 0.55 O ATOM 0 H TYR A 157 141.219 8.560 -2.085 1.00 0.22 H new ATOM 0 HA TYR A 157 140.432 9.078 -4.886 1.00 0.24 H new ATOM 0 HB2 TYR A 157 142.450 10.284 -2.958 1.00 0.28 H new ATOM 0 HB3 TYR A 157 142.348 10.766 -4.640 1.00 0.28 H new ATOM 0 HD1 TYR A 157 139.094 9.791 -3.854 1.00 1.18 H new ATOM 0 HD2 TYR A 157 141.888 12.950 -3.037 1.00 1.17 H new ATOM 0 HE1 TYR A 157 137.217 11.306 -3.299 1.00 1.19 H new ATOM 0 HE2 TYR A 157 140.008 14.463 -2.479 1.00 1.22 H new ATOM 0 HH TYR A 157 137.682 14.370 -1.763 1.00 0.55 H new ATOM 2454 N THR A 158 142.995 7.280 -4.055 1.00 0.23 N ATOM 2455 CA THR A 158 144.049 6.432 -4.658 1.00 0.26 C ATOM 2456 C THR A 158 143.333 5.306 -5.402 1.00 0.25 C ATOM 2457 O THR A 158 143.613 5.032 -6.552 1.00 0.30 O ATOM 2458 CB THR A 158 144.995 5.895 -3.565 1.00 0.26 C ATOM 2459 OG1 THR A 158 146.339 6.122 -3.961 1.00 0.30 O ATOM 2460 CG2 THR A 158 144.783 4.400 -3.346 1.00 0.29 C ATOM 0 H THR A 158 142.827 7.134 -3.060 1.00 0.23 H new ATOM 0 HA THR A 158 144.673 6.997 -5.351 1.00 0.26 H new ATOM 0 HB THR A 158 144.780 6.416 -2.632 1.00 0.26 H new ATOM 0 HG1 THR A 158 146.945 5.784 -3.269 1.00 0.30 H new ATOM 0 HG21 THR A 158 145.462 4.046 -2.570 1.00 0.29 H new ATOM 0 HG22 THR A 158 143.753 4.220 -3.037 1.00 0.29 H new ATOM 0 HG23 THR A 158 144.982 3.864 -4.274 1.00 0.29 H new ATOM 2468 N LEU A 159 142.383 4.670 -4.764 1.00 0.23 N ATOM 2469 CA LEU A 159 141.636 3.594 -5.460 1.00 0.25 C ATOM 2470 C LEU A 159 141.126 4.142 -6.785 1.00 0.27 C ATOM 2471 O LEU A 159 141.350 3.568 -7.833 1.00 0.34 O ATOM 2472 CB LEU A 159 140.449 3.163 -4.603 1.00 0.25 C ATOM 2473 CG LEU A 159 139.937 1.808 -5.083 1.00 0.57 C ATOM 2474 CD1 LEU A 159 139.073 1.177 -3.992 1.00 1.60 C ATOM 2475 CD2 LEU A 159 139.094 1.997 -6.343 1.00 1.26 C ATOM 0 H LEU A 159 142.099 4.851 -3.801 1.00 0.23 H new ATOM 0 HA LEU A 159 142.287 2.736 -5.631 1.00 0.25 H new ATOM 0 HB2 LEU A 159 140.747 3.101 -3.556 1.00 0.25 H new ATOM 0 HB3 LEU A 159 139.654 3.906 -4.665 1.00 0.25 H new ATOM 0 HG LEU A 159 140.784 1.159 -5.304 1.00 0.57 H new ATOM 0 HD11 LEU A 159 138.706 0.209 -4.333 1.00 1.60 H new ATOM 0 HD12 LEU A 159 139.668 1.042 -3.089 1.00 1.60 H new ATOM 0 HD13 LEU A 159 138.227 1.829 -3.775 1.00 1.60 H new ATOM 0 HD21 LEU A 159 138.729 1.029 -6.685 1.00 1.26 H new ATOM 0 HD22 LEU A 159 138.247 2.646 -6.120 1.00 1.26 H new ATOM 0 HD23 LEU A 159 139.704 2.451 -7.124 1.00 1.26 H new ATOM 2487 N VAL A 160 140.446 5.255 -6.754 1.00 0.29 N ATOM 2488 CA VAL A 160 139.938 5.831 -8.024 1.00 0.36 C ATOM 2489 C VAL A 160 141.128 6.225 -8.884 1.00 0.43 C ATOM 2490 O VAL A 160 141.098 6.113 -10.090 1.00 0.65 O ATOM 2491 CB VAL A 160 139.076 7.062 -7.742 1.00 0.46 C ATOM 2492 CG1 VAL A 160 138.701 7.733 -9.065 1.00 1.11 C ATOM 2493 CG2 VAL A 160 137.802 6.637 -7.009 1.00 1.17 C ATOM 0 H VAL A 160 140.223 5.784 -5.911 1.00 0.29 H new ATOM 0 HA VAL A 160 139.325 5.093 -8.542 1.00 0.36 H new ATOM 0 HB VAL A 160 139.635 7.763 -7.122 1.00 0.46 H new ATOM 0 HG11 VAL A 160 138.086 8.611 -8.866 1.00 1.11 H new ATOM 0 HG12 VAL A 160 139.607 8.036 -9.589 1.00 1.11 H new ATOM 0 HG13 VAL A 160 138.142 7.031 -9.683 1.00 1.11 H new ATOM 0 HG21 VAL A 160 137.188 7.515 -6.808 1.00 1.17 H new ATOM 0 HG22 VAL A 160 137.242 5.936 -7.629 1.00 1.17 H new ATOM 0 HG23 VAL A 160 138.067 6.157 -6.067 1.00 1.17 H new ATOM 2503 N ARG A 161 142.191 6.664 -8.279 1.00 0.38 N ATOM 2504 CA ARG A 161 143.375 7.027 -9.090 1.00 0.45 C ATOM 2505 C ARG A 161 143.652 5.862 -10.031 1.00 0.41 C ATOM 2506 O ARG A 161 144.091 6.039 -11.147 1.00 0.47 O ATOM 2507 CB ARG A 161 144.582 7.261 -8.180 1.00 0.59 C ATOM 2508 CG ARG A 161 145.228 8.602 -8.528 1.00 0.89 C ATOM 2509 CD ARG A 161 144.539 9.717 -7.740 1.00 1.99 C ATOM 2510 NE ARG A 161 145.473 10.868 -7.585 1.00 2.72 N ATOM 2511 CZ ARG A 161 146.690 10.669 -7.159 1.00 3.06 C ATOM 2512 NH1 ARG A 161 147.625 10.315 -7.998 1.00 3.36 N ATOM 2513 NH2 ARG A 161 146.973 10.825 -5.895 1.00 3.65 N ATOM 0 H ARG A 161 142.290 6.786 -7.271 1.00 0.38 H new ATOM 0 HA ARG A 161 143.192 7.943 -9.651 1.00 0.45 H new ATOM 0 HB2 ARG A 161 144.270 7.255 -7.136 1.00 0.59 H new ATOM 0 HB3 ARG A 161 145.305 6.454 -8.302 1.00 0.59 H new ATOM 0 HG2 ARG A 161 146.292 8.578 -8.291 1.00 0.89 H new ATOM 0 HG3 ARG A 161 145.144 8.792 -9.598 1.00 0.89 H new ATOM 0 HD2 ARG A 161 143.634 10.036 -8.257 1.00 1.99 H new ATOM 0 HD3 ARG A 161 144.233 9.349 -6.761 1.00 1.99 H new ATOM 0 HE ARG A 161 145.161 11.812 -7.812 1.00 2.72 H new ATOM 0 HH11 ARG A 161 147.404 10.194 -8.986 1.00 3.36 H new ATOM 0 HH12 ARG A 161 148.577 10.159 -7.665 1.00 3.36 H new ATOM 0 HH21 ARG A 161 146.243 11.103 -5.239 1.00 3.65 H new ATOM 0 HH22 ARG A 161 147.925 10.669 -5.562 1.00 3.65 H new ATOM 2527 N GLU A 162 143.359 4.666 -9.591 1.00 0.37 N ATOM 2528 CA GLU A 162 143.577 3.484 -10.464 1.00 0.40 C ATOM 2529 C GLU A 162 142.460 3.436 -11.504 1.00 0.32 C ATOM 2530 O GLU A 162 142.679 3.121 -12.657 1.00 0.38 O ATOM 2531 CB GLU A 162 143.550 2.210 -9.617 1.00 0.47 C ATOM 2532 CG GLU A 162 144.618 2.301 -8.525 1.00 0.62 C ATOM 2533 CD GLU A 162 145.714 1.268 -8.795 1.00 1.18 C ATOM 2534 OE1 GLU A 162 145.561 0.142 -8.351 1.00 1.70 O ATOM 2535 OE2 GLU A 162 146.687 1.621 -9.440 1.00 2.02 O ATOM 0 H GLU A 162 142.979 4.461 -8.667 1.00 0.37 H new ATOM 0 HA GLU A 162 144.544 3.558 -10.961 1.00 0.40 H new ATOM 0 HB2 GLU A 162 142.565 2.080 -9.168 1.00 0.47 H new ATOM 0 HB3 GLU A 162 143.731 1.338 -10.246 1.00 0.47 H new ATOM 0 HG2 GLU A 162 145.046 3.303 -8.503 1.00 0.62 H new ATOM 0 HG3 GLU A 162 144.170 2.124 -7.547 1.00 0.62 H new ATOM 2542 N ILE A 163 141.263 3.762 -11.102 1.00 0.26 N ATOM 2543 CA ILE A 163 140.125 3.752 -12.059 1.00 0.28 C ATOM 2544 C ILE A 163 140.197 5.011 -12.933 1.00 0.29 C ATOM 2545 O ILE A 163 140.544 4.960 -14.095 1.00 0.37 O ATOM 2546 CB ILE A 163 138.806 3.752 -11.280 1.00 0.36 C ATOM 2547 CG1 ILE A 163 138.775 2.554 -10.333 1.00 0.44 C ATOM 2548 CG2 ILE A 163 137.632 3.652 -12.255 1.00 0.48 C ATOM 2549 CD1 ILE A 163 137.704 2.774 -9.264 1.00 0.58 C ATOM 0 H ILE A 163 141.025 4.036 -10.149 1.00 0.26 H new ATOM 0 HA ILE A 163 140.177 2.862 -12.686 1.00 0.28 H new ATOM 0 HB ILE A 163 138.726 4.676 -10.708 1.00 0.36 H new ATOM 0 HG12 ILE A 163 138.564 1.642 -10.891 1.00 0.44 H new ATOM 0 HG13 ILE A 163 139.750 2.423 -9.864 1.00 0.44 H new ATOM 0 HG21 ILE A 163 136.695 3.652 -11.698 1.00 0.48 H new ATOM 0 HG22 ILE A 163 137.650 4.504 -12.935 1.00 0.48 H new ATOM 0 HG23 ILE A 163 137.713 2.729 -12.828 1.00 0.48 H new ATOM 0 HD11 ILE A 163 137.683 1.919 -8.589 1.00 0.58 H new ATOM 0 HD12 ILE A 163 137.934 3.677 -8.699 1.00 0.58 H new ATOM 0 HD13 ILE A 163 136.730 2.884 -9.742 1.00 0.58 H new ATOM 2561 N ARG A 164 139.858 6.140 -12.373 1.00 0.31 N ATOM 2562 CA ARG A 164 139.883 7.420 -13.140 1.00 0.38 C ATOM 2563 C ARG A 164 141.116 7.500 -14.059 1.00 0.48 C ATOM 2564 O ARG A 164 141.076 8.147 -15.087 1.00 0.67 O ATOM 2565 CB ARG A 164 139.893 8.600 -12.154 1.00 0.38 C ATOM 2566 CG ARG A 164 139.329 9.842 -12.845 1.00 0.66 C ATOM 2567 CD ARG A 164 140.458 10.839 -13.114 1.00 1.22 C ATOM 2568 NE ARG A 164 140.300 11.410 -14.481 1.00 1.86 N ATOM 2569 CZ ARG A 164 141.279 12.077 -15.030 1.00 2.27 C ATOM 2570 NH1 ARG A 164 141.460 13.334 -14.730 1.00 2.67 N ATOM 2571 NH2 ARG A 164 142.075 11.487 -15.880 1.00 2.98 N ATOM 0 H ARG A 164 139.560 6.232 -11.402 1.00 0.31 H new ATOM 0 HA ARG A 164 138.993 7.463 -13.768 1.00 0.38 H new ATOM 0 HB2 ARG A 164 139.298 8.358 -11.274 1.00 0.38 H new ATOM 0 HB3 ARG A 164 140.909 8.792 -11.809 1.00 0.38 H new ATOM 0 HG2 ARG A 164 138.847 9.562 -13.782 1.00 0.66 H new ATOM 0 HG3 ARG A 164 138.565 10.303 -12.219 1.00 0.66 H new ATOM 0 HD2 ARG A 164 140.439 11.636 -12.371 1.00 1.22 H new ATOM 0 HD3 ARG A 164 141.425 10.343 -13.025 1.00 1.22 H new ATOM 0 HE ARG A 164 139.425 11.280 -14.989 1.00 1.86 H new ATOM 0 HH11 ARG A 164 140.837 13.795 -14.067 1.00 2.67 H new ATOM 0 HH12 ARG A 164 142.225 13.856 -15.159 1.00 2.67 H new ATOM 0 HH21 ARG A 164 141.932 10.505 -16.115 1.00 2.98 H new ATOM 0 HH22 ARG A 164 142.840 12.008 -16.309 1.00 2.98 H new ATOM 2585 N GLN A 165 142.215 6.878 -13.708 1.00 0.50 N ATOM 2586 CA GLN A 165 143.422 6.974 -14.591 1.00 0.65 C ATOM 2587 C GLN A 165 143.260 6.115 -15.850 1.00 0.77 C ATOM 2588 O GLN A 165 143.644 6.514 -16.930 1.00 1.14 O ATOM 2589 CB GLN A 165 144.661 6.502 -13.832 1.00 0.88 C ATOM 2590 CG GLN A 165 145.273 7.679 -13.069 1.00 1.74 C ATOM 2591 CD GLN A 165 146.785 7.476 -12.945 1.00 2.38 C ATOM 2592 OE1 GLN A 165 147.556 8.175 -13.572 1.00 2.98 O ATOM 2593 NE2 GLN A 165 147.244 6.542 -12.158 1.00 2.89 N ATOM 0 H GLN A 165 142.330 6.317 -12.864 1.00 0.50 H new ATOM 0 HA GLN A 165 143.534 8.017 -14.887 1.00 0.65 H new ATOM 0 HB2 GLN A 165 144.394 5.705 -13.138 1.00 0.88 H new ATOM 0 HB3 GLN A 165 145.390 6.087 -14.528 1.00 0.88 H new ATOM 0 HG2 GLN A 165 145.062 8.613 -13.590 1.00 1.74 H new ATOM 0 HG3 GLN A 165 144.823 7.758 -12.079 1.00 1.74 H new ATOM 0 HE21 GLN A 165 146.597 5.955 -11.632 1.00 2.89 H new ATOM 0 HE22 GLN A 165 148.250 6.399 -12.069 1.00 2.89 H new ATOM 2602 N HIS A 166 142.727 4.932 -15.723 1.00 1.57 N ATOM 2603 CA HIS A 166 142.578 4.047 -16.916 1.00 2.05 C ATOM 2604 C HIS A 166 141.859 4.782 -18.050 1.00 2.05 C ATOM 2605 O HIS A 166 142.304 4.796 -19.180 1.00 2.31 O ATOM 2606 CB HIS A 166 141.794 2.787 -16.523 1.00 3.22 C ATOM 2607 CG HIS A 166 140.308 3.035 -16.535 1.00 3.76 C ATOM 2608 ND1 HIS A 166 139.589 3.156 -17.714 1.00 4.35 N ATOM 2609 CD2 HIS A 166 139.392 3.167 -15.522 1.00 4.37 C ATOM 2610 CE1 HIS A 166 138.300 3.351 -17.384 1.00 5.09 C ATOM 2611 NE2 HIS A 166 138.124 3.366 -16.060 1.00 5.14 N ATOM 0 H HIS A 166 142.388 4.538 -14.846 1.00 1.57 H new ATOM 0 HA HIS A 166 143.569 3.763 -17.270 1.00 2.05 H new ATOM 0 HB2 HIS A 166 142.034 1.978 -17.213 1.00 3.22 H new ATOM 0 HB3 HIS A 166 142.102 2.461 -15.529 1.00 3.22 H new ATOM 0 HD2 HIS A 166 139.620 3.123 -14.467 1.00 4.37 H new ATOM 0 HE1 HIS A 166 137.504 3.480 -18.102 1.00 5.09 H new ATOM 0 HE2 HIS A 166 137.249 3.495 -15.553 1.00 5.14 H new ATOM 2619 N LYS A 167 140.744 5.367 -17.754 1.00 2.70 N ATOM 2620 CA LYS A 167 139.960 6.086 -18.803 1.00 3.41 C ATOM 2621 C LYS A 167 140.896 6.876 -19.737 1.00 3.45 C ATOM 2622 O LYS A 167 140.596 7.077 -20.897 1.00 4.01 O ATOM 2623 CB LYS A 167 138.941 7.022 -18.119 1.00 4.21 C ATOM 2624 CG LYS A 167 139.453 8.468 -18.080 1.00 5.16 C ATOM 2625 CD LYS A 167 138.951 9.212 -19.319 1.00 6.07 C ATOM 2626 CE LYS A 167 139.565 10.612 -19.365 1.00 6.89 C ATOM 2627 NZ LYS A 167 140.697 10.625 -20.333 1.00 7.60 N ATOM 0 H LYS A 167 140.330 5.383 -16.822 1.00 2.70 H new ATOM 0 HA LYS A 167 139.424 5.361 -19.415 1.00 3.41 H new ATOM 0 HB2 LYS A 167 137.992 6.984 -18.654 1.00 4.21 H new ATOM 0 HB3 LYS A 167 138.748 6.674 -17.104 1.00 4.21 H new ATOM 0 HG2 LYS A 167 139.104 8.966 -17.175 1.00 5.16 H new ATOM 0 HG3 LYS A 167 140.543 8.480 -18.050 1.00 5.16 H new ATOM 0 HD2 LYS A 167 139.217 8.658 -20.220 1.00 6.07 H new ATOM 0 HD3 LYS A 167 137.863 9.282 -19.297 1.00 6.07 H new ATOM 0 HE2 LYS A 167 138.811 11.342 -19.660 1.00 6.89 H new ATOM 0 HE3 LYS A 167 139.916 10.900 -18.374 1.00 6.89 H new ATOM 0 HZ1 LYS A 167 141.442 11.263 -19.987 1.00 7.60 H new ATOM 0 HZ2 LYS A 167 141.082 9.664 -20.430 1.00 7.60 H new ATOM 0 HZ3 LYS A 167 140.359 10.957 -21.259 1.00 7.60 H new ATOM 2641 N LEU A 168 142.016 7.334 -19.244 1.00 3.48 N ATOM 2642 CA LEU A 168 142.946 8.120 -20.113 1.00 4.23 C ATOM 2643 C LEU A 168 144.102 7.240 -20.599 1.00 4.18 C ATOM 2644 O LEU A 168 144.286 7.047 -21.784 1.00 4.76 O ATOM 2645 CB LEU A 168 143.510 9.299 -19.319 1.00 5.04 C ATOM 2646 CG LEU A 168 143.741 10.485 -20.260 1.00 5.95 C ATOM 2647 CD1 LEU A 168 144.010 11.746 -19.438 1.00 6.70 C ATOM 2648 CD2 LEU A 168 144.947 10.200 -21.158 1.00 6.63 C ATOM 0 H LEU A 168 142.328 7.200 -18.282 1.00 3.48 H new ATOM 0 HA LEU A 168 142.392 8.483 -20.978 1.00 4.23 H new ATOM 0 HB2 LEU A 168 142.818 9.580 -18.525 1.00 5.04 H new ATOM 0 HB3 LEU A 168 144.446 9.014 -18.840 1.00 5.04 H new ATOM 0 HG LEU A 168 142.854 10.633 -20.876 1.00 5.95 H new ATOM 0 HD11 LEU A 168 144.174 12.589 -20.109 1.00 6.70 H new ATOM 0 HD12 LEU A 168 143.152 11.953 -18.798 1.00 6.70 H new ATOM 0 HD13 LEU A 168 144.896 11.596 -18.820 1.00 6.70 H new ATOM 0 HD21 LEU A 168 145.110 11.045 -21.827 1.00 6.63 H new ATOM 0 HD22 LEU A 168 145.833 10.050 -20.541 1.00 6.63 H new ATOM 0 HD23 LEU A 168 144.758 9.302 -21.747 1.00 6.63 H new ATOM 2660 N ARG A 169 144.894 6.719 -19.697 1.00 4.03 N ATOM 2661 CA ARG A 169 146.056 5.864 -20.116 1.00 4.60 C ATOM 2662 C ARG A 169 145.657 4.945 -21.278 1.00 5.48 C ATOM 2663 O ARG A 169 146.502 4.518 -22.038 1.00 6.18 O ATOM 2664 CB ARG A 169 146.563 5.001 -18.946 1.00 4.25 C ATOM 2665 CG ARG A 169 145.598 5.068 -17.760 1.00 3.85 C ATOM 2666 CD ARG A 169 145.884 3.912 -16.799 1.00 4.59 C ATOM 2667 NE ARG A 169 146.110 2.662 -17.577 1.00 5.11 N ATOM 2668 CZ ARG A 169 145.092 1.957 -17.988 1.00 5.73 C ATOM 2669 NH1 ARG A 169 144.292 2.437 -18.900 1.00 6.12 N ATOM 2670 NH2 ARG A 169 144.874 0.773 -17.485 1.00 6.32 N ATOM 0 H ARG A 169 144.790 6.846 -18.690 1.00 4.03 H new ATOM 0 HA ARG A 169 146.855 6.534 -20.435 1.00 4.60 H new ATOM 0 HB2 ARG A 169 146.673 3.967 -19.273 1.00 4.25 H new ATOM 0 HB3 ARG A 169 147.550 5.344 -18.637 1.00 4.25 H new ATOM 0 HG2 ARG A 169 145.708 6.021 -17.242 1.00 3.85 H new ATOM 0 HG3 ARG A 169 144.568 5.014 -18.113 1.00 3.85 H new ATOM 0 HD2 ARG A 169 146.761 4.138 -16.192 1.00 4.59 H new ATOM 0 HD3 ARG A 169 145.047 3.780 -16.113 1.00 4.59 H new ATOM 0 HE ARG A 169 147.060 2.357 -17.788 1.00 5.11 H new ATOM 0 HH11 ARG A 169 144.462 3.363 -19.292 1.00 6.12 H new ATOM 0 HH12 ARG A 169 143.496 1.886 -19.221 1.00 6.12 H new ATOM 0 HH21 ARG A 169 145.499 0.399 -16.771 1.00 6.32 H new ATOM 0 HH22 ARG A 169 144.078 0.221 -17.806 1.00 6.32 H new ATOM 2684 N LYS A 170 144.383 4.641 -21.409 1.00 5.74 N ATOM 2685 CA LYS A 170 143.893 3.750 -22.516 1.00 6.83 C ATOM 2686 C LYS A 170 144.889 3.710 -23.679 1.00 7.57 C ATOM 2687 O LYS A 170 145.582 2.732 -23.880 1.00 8.05 O ATOM 2688 CB LYS A 170 142.559 4.290 -23.032 1.00 7.29 C ATOM 2689 CG LYS A 170 141.454 3.265 -22.781 1.00 7.99 C ATOM 2690 CD LYS A 170 140.092 3.937 -22.965 1.00 8.53 C ATOM 2691 CE LYS A 170 140.037 4.607 -24.339 1.00 9.16 C ATOM 2692 NZ LYS A 170 140.659 5.958 -24.259 1.00 9.86 N ATOM 0 H LYS A 170 143.650 4.979 -20.785 1.00 5.74 H new ATOM 0 HA LYS A 170 143.779 2.741 -22.121 1.00 6.83 H new ATOM 0 HB2 LYS A 170 142.318 5.228 -22.532 1.00 7.29 H new ATOM 0 HB3 LYS A 170 142.632 4.507 -24.098 1.00 7.29 H new ATOM 0 HG2 LYS A 170 141.555 2.427 -23.471 1.00 7.99 H new ATOM 0 HG3 LYS A 170 141.540 2.860 -21.773 1.00 7.99 H new ATOM 0 HD2 LYS A 170 139.295 3.199 -22.876 1.00 8.53 H new ATOM 0 HD3 LYS A 170 139.930 4.677 -22.181 1.00 8.53 H new ATOM 0 HE2 LYS A 170 140.562 3.997 -25.074 1.00 9.16 H new ATOM 0 HE3 LYS A 170 139.003 4.690 -24.673 1.00 9.16 H new ATOM 0 HZ1 LYS A 170 140.034 6.655 -24.711 1.00 9.86 H new ATOM 0 HZ2 LYS A 170 140.801 6.216 -23.262 1.00 9.86 H new ATOM 0 HZ3 LYS A 170 141.577 5.947 -24.748 1.00 9.86 H new ATOM 2706 N LEU A 171 144.964 4.766 -24.446 1.00 7.94 N ATOM 2707 CA LEU A 171 145.910 4.793 -25.596 1.00 8.90 C ATOM 2708 C LEU A 171 147.249 4.170 -25.181 1.00 9.27 C ATOM 2709 O LEU A 171 147.802 3.421 -25.971 1.00 9.40 O ATOM 2710 CB LEU A 171 146.111 6.248 -26.061 1.00 9.31 C ATOM 2711 CG LEU A 171 147.262 6.917 -25.297 1.00 9.93 C ATOM 2712 CD1 LEU A 171 147.531 8.298 -25.897 1.00 10.14 C ATOM 2713 CD2 LEU A 171 146.885 7.074 -23.821 1.00 10.49 C ATOM 2714 OXT LEU A 171 147.697 4.451 -24.082 1.00 9.64 O ATOM 0 H LEU A 171 144.408 5.613 -24.324 1.00 7.94 H new ATOM 0 HA LEU A 171 145.499 4.213 -26.422 1.00 8.90 H new ATOM 0 HB2 LEU A 171 146.321 6.266 -27.130 1.00 9.31 H new ATOM 0 HB3 LEU A 171 145.191 6.813 -25.907 1.00 9.31 H new ATOM 0 HG LEU A 171 148.155 6.297 -25.377 1.00 9.93 H new ATOM 0 HD11 LEU A 171 148.348 8.776 -25.357 1.00 10.14 H new ATOM 0 HD12 LEU A 171 147.803 8.192 -26.947 1.00 10.14 H new ATOM 0 HD13 LEU A 171 146.634 8.911 -25.815 1.00 10.14 H new ATOM 0 HD21 LEU A 171 147.706 7.549 -23.284 1.00 10.49 H new ATOM 0 HD22 LEU A 171 145.991 7.692 -23.738 1.00 10.49 H new ATOM 0 HD23 LEU A 171 146.689 6.093 -23.389 1.00 10.49 H new TER 2726 LEU A 171 HETATM 2727 MG MG A 173 129.369 -1.143 10.024 1.00 3.45 MG HETATM 2728 PB GDP A 180 132.580 -0.884 10.946 1.00 1.28 P HETATM 2729 O1B GDP A 180 131.602 -1.788 11.591 1.00 2.05 O HETATM 2730 O2B GDP A 180 131.979 0.121 10.041 1.00 1.89 O HETATM 2731 O3B GDP A 180 133.409 -1.849 9.959 1.00 1.89 O HETATM 2732 O3A GDP A 180 133.609 -0.342 11.862 1.00 1.23 O HETATM 2733 PA GDP A 180 133.528 -0.596 13.318 1.00 1.22 P HETATM 2734 O1A GDP A 180 132.281 -0.115 13.953 1.00 2.00 O HETATM 2735 O2A GDP A 180 133.933 -1.961 13.723 1.00 2.05 O HETATM 2736 O5' GDP A 180 134.673 0.349 13.942 1.00 1.40 O HETATM 2737 C5' GDP A 180 134.923 0.348 15.350 1.00 1.35 C HETATM 2738 C4' GDP A 180 134.821 1.749 15.951 1.00 1.23 C HETATM 2739 O4' GDP A 180 136.035 2.487 15.744 1.00 0.96 O HETATM 2740 C3' GDP A 180 133.686 2.543 15.320 1.00 1.39 C HETATM 2741 O3' GDP A 180 132.620 2.748 16.252 1.00 1.66 O HETATM 2742 C2' GDP A 180 134.272 3.851 14.874 1.00 1.19 C HETATM 2743 O2' GDP A 180 133.577 4.953 15.466 1.00 1.35 O HETATM 2744 C1' GDP A 180 135.717 3.823 15.315 1.00 0.95 C HETATM 2745 N9 GDP A 180 136.616 4.269 14.234 1.00 0.84 N HETATM 2746 C8 GDP A 180 136.619 3.942 12.918 1.00 1.00 C HETATM 2747 N7 GDP A 180 137.526 4.478 12.171 1.00 1.06 N HETATM 2748 C5 GDP A 180 138.225 5.265 13.091 1.00 0.93 C HETATM 2749 C6 GDP A 180 139.351 6.109 12.897 1.00 1.10 C HETATM 2750 O6 GDP A 180 139.972 6.324 11.858 1.00 1.33 O HETATM 2751 N1 GDP A 180 139.742 6.719 14.082 1.00 1.12 N HETATM 2752 C2 GDP A 180 139.133 6.539 15.307 1.00 1.02 C HETATM 2753 N2 GDP A 180 139.661 7.207 16.333 1.00 1.25 N HETATM 2754 N3 GDP A 180 138.074 5.746 15.499 1.00 0.86 N HETATM 2755 C4 GDP A 180 137.674 5.141 14.357 1.00 0.80 C HETATM 0 HO3' GDP A 180 132.724 3.623 16.680 1.00 1.66 H new HETATM 0 HO2' GDP A 180 133.782 5.773 14.970 1.00 1.35 H new HETATM 0 HN22 GDP A 180 139.255 7.115 17.264 1.00 1.25 H new HETATM 0 HN21 GDP A 180 140.471 7.810 16.187 1.00 1.25 H new HETATM 0 H5'' GDP A 180 134.209 -0.311 15.844 1.00 1.35 H new HETATM 0 HN1 GDP A 180 140.543 7.350 14.044 1.00 1.12 H new HETATM 0 H8 GDP A 180 135.883 3.252 12.506 1.00 1.00 H new HETATM 0 H5' GDP A 180 135.917 -0.057 15.541 1.00 1.35 H new HETATM 0 H4' GDP A 180 134.634 1.616 17.017 1.00 1.23 H new HETATM 0 H3' GDP A 180 133.257 2.002 14.476 1.00 1.39 H new HETATM 0 H2' GDP A 180 134.186 3.980 13.795 1.00 1.19 H new HETATM 0 H1' GDP A 180 135.860 4.516 16.144 1.00 0.95 H new CONECT 240 2727 CONECT 477 2727 CONECT 498 2727 CONECT 2727 240 477 498 2729 CONECT 2727 2730 CONECT 2728 2729 2730 2731 2732 CONECT 2729 2727 2728 CONECT 2730 2727 2728 CONECT 2731 2728 CONECT 2732 2728 2733 CONECT 2733 2732 2734 2735 2736 CONECT 2734 2733 CONECT 2735 2733 CONECT 2736 2733 2737 CONECT 2737 2736 2738 2756 2757 CONECT 2738 2737 2739 2740 2758 CONECT 2739 2738 2744 CONECT 2740 2738 2741 2742 2759 CONECT 2741 2740 2760 CONECT 2742 2740 2743 2744 2761 CONECT 2743 2742 2762 CONECT 2744 2739 2742 2745 2763 CONECT 2745 2744 2746 2755 CONECT 2746 2745 2747 2764 CONECT 2747 2746 2748 CONECT 2748 2747 2749 2755 CONECT 2749 2748 2750 2751 CONECT 2750 2749 CONECT 2751 2749 2752 2765 CONECT 2752 2751 2753 2754 CONECT 2753 2752 2766 2767 CONECT 2754 2752 2755 CONECT 2755 2745 2748 2754 CONECT 2756 2737 CONECT 2757 2737 CONECT 2758 2738 CONECT 2759 2740 CONECT 2760 2741 CONECT 2761 2742 CONECT 2762 2743 CONECT 2763 2744 CONECT 2764 2746 CONECT 2765 2751 CONECT 2766 2753 CONECT 2767 2753 END