USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 780 hydrogens (0 hets) HEADER MEMBRANE PROTEIN 25-JUN-01 1GJJ TITLE N-TERMINAL CONSTANT REGION OF THE NUCLEAR ENVELOPE PROTEIN TITLE 2 LAP2 COMPND MOL_ID: 1; COMPND 2 MOLECULE: LAP2; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: N-TERMINAL CONSTANT REGION (RESIDUES 1-168); COMPND 5 SYNONYM: LAMIN-ASSOCIATED POLYPEPTIDE 2, THYMOPOIETIN, COMPND 6 ISOFORM ALPHA; COMPND 7 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 CELLULAR_LOCATION: NUCLEUS; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS INNER NUCLEAR MEMBRANE PROTEIN, LAMIN-ASSOCIATED KEYWDS 2 POLYPEPTIDE, LEM DOMAIN, MULTIDIMENSIONAL NMR DIPOLAR KEYWDS 3 COUPLINGS EXPDTA SOLUTION NMR AUTHOR G.M.CLORE,M.CAI REVDAT 3 24-FEB-09 1GJJ 1 VERSN REVDAT 2 28-DEC-04 1GJJ 1 JRNL REVDAT 1 24-JUN-03 1GJJ 0 JRNL AUTH M.CAI,Y.HUANG,R.GHIRLANDO,K.L.WILSON,R.CRAIGIE, JRNL AUTH 2 G.M.CLORE JRNL TITL SOLUTION STRUCTURE OF THE CONSTANT REGION OF JRNL TITL 2 NUCLEAR ENVELOPE PROTEIN LAP2 REVEALS TWO JRNL TITL 3 LEM-DOMAIN STRUCTURES: ONE BINDS BAF AND THE OTHER JRNL TITL 4 BINDS DNA. JRNL REF EMBO J. V. 20 4399 2001 JRNL REFN ISSN 0261-4189 JRNL PMID 11500367 JRNL DOI 10.1093/EMBOJ/20.16.4399 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR NIH VERSION (AVAILABLE TO ACADEMIC USERS REMARK 3 BY ANONYMOUS FTP AT PORTAL.NIDDK.NIH.GOV IN PUB/ REMARK 3 CLORE/XPLOR_NIH OR AT HTTP://NMR.CIT.NIH.GOV) REMARK 3 AUTHORS : CLORE, KUSZEWSKI AND SCHWIETERS. ADAPTED FROM REMARK 3 BRUNGER (GENERAL XPLOR) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: REMARK 3 THE STRUCTURES WERE CALCULATED BY SIMULATED ANNEALING IN TORSION REMARK 3 ANGLE SPACE (C. SCHWIETERS AND G.M. CLORE. IN PRESS). THE TARGET REMARK 3 FUNCTION COMPRISES TERMS FOR THE NOE RESTRAINTS, TORSION ANGLE REMARK 3 RESTRAINTS, CARBON CHEMICAL SHIFT RESTRAINTS (KUSZEWSKI ET AL. REMARK 3 J. MAGN. RESON. SERIES B 106, 92-96 (1995)), THE DIPOLAR REMARK 3 COUPLING RESTRAINTS (CLORE ET AL. J.MAGN.RESON. 131, 159-162 REMARK 3 (1998); J.MAGN.RESON. 133, 216-221(1998)), THE RADIUS OF REMARK 3 GYRATION (KUSZEWSKI ET AL. (1999), AND A QUARTIC VAN DER WAALS REMARK 3 REPULSION TERM (NILGES ET AL. (1988) FEBS LETT. 229, 129-136). REMARK 3 REMARK 3 IN THIS ENTRY THE LAST COLUMN REPRESENTS THE AVERAGE REMARK 3 RMS DIFFERENCE BETWEEN THE INDIVIDUAL SIMULATED REMARK 3 ANNEALING STRUCTURES AND THE MEAN COORDINATE REMARK 3 POSITIONS. ONLY COORDINATES FOR RESIDUES 1-50 (LAP2-N) REMARK 3 AND 111-153 (LAP2-C) ARE PROVIDED. THE LINKER CONNECTING REMARK 3 THESE TWO DOMAINS IS COMPLETELY DISORDERED. REMARK 3 LIKEWISE THE C-TERMINAL RESIDUES (154-168) ARE DISORDERED. REMARK 3 SINCE THE TWO DOMAINS, LAP2-N AND LAP2-C, REORIENT REMARK 3 ESSENTIALLY INDEPENDENTLY IN SOLUTION, THE COORDINATES REMARK 3 OF THE TWO DOMAINS HAVE BEEN BEST-FITTED TO EACH OTHER REMARK 3 SINCE THEY ARE STRUCTURALY VERY SIMILAR. THE LAP2-N REMARK 3 DOMAIN BINDS DNA. THE LAP2-C DOMAIN BINDS THE REMARK 3 BARRIER-TO-AUTOINTEGRATION FACTOR BAF. REMARK 3 REMARK 3 REMARK 3 STRUCTURAL STATISTICS: REMARK 3 --------------------------------------------------------- REMARK 3 LAP2-N LAP2-C REMARK 3 --------------------------------------------------------- REMARK 3 DEVIATIONS FROM IDEALIZED GEOMETRY: REMARK 3 BONDS 0.003 A 0.003 A REMARK 3 ANGLES 0.48 DEG 0.54 DEG REMARK 3 IMPROPERS 0.49 DEG 0.39 DEG REMARK 3 DEVIATIONS FROM EXPT RESTRAINTS (LAP2-N/LAP2-C) REMARK 3 NOES (395/401) 0.024 A 0.012 A REMARK 3 TORSION ANGLES (151/121) 0.49 DEG 0.13 DEG REMARK 3 13C CHEMICAL SHIFTS (105/91) 0.92 PPM 0.81 PPM REMARK 3 REMARK 3 DIPOLAR COUPLING R-FACTORS (CLORE AND GARRETT (1999) REMARK 3 J. AM. CHEM. SOC. 121, 9008-9012): REMARK 3 1DNH (39/34) 6.4% 2.9% REMARK 3 1DCH (36/29) 6.4% 1.9% REMARK 3 1DNC' (24/19) 28.2% 26.2% REMARK 3 2DHNC' (24/20) 30.1% 25.3% REMARK 3 % RESIDUES IN MOST FAVORABLE REMARK 3 REGION OF RAMACHADRAN MAP 84.1% 89.0% REMARK 3 REMARK 3 NOTE: THE ALIGNMENT TENSOR FOR LAP2-N AND LAP2-C ARE REMARK 3 DIFFERENT DUE TO THE FACT THAT THE TWO DOMAINS ARE REMARK 3 ORIENTED INDEPENDENTLY BY THE PHAGE LIQUID REMARK 3 CRYSTALLINE MEDIUM. REMARK 4 REMARK 4 1GJJ COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 02-JUL-01. REMARK 100 THE RCSB ID CODE IS RCSB001585. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 308.00 REMARK 210 PH : 7.2 REMARK 210 IONIC STRENGTH : 50 MM SODIUM PHOSPHATE REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ, 600 MHZ, 750 MHZ REMARK 210 SPECTROMETER MODEL : DMX500, DRX600, DRX750 REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : RESTRAINED SIMULATED IN REMARK 210 TORSION ANGLE SPACE REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 20 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : RESTRAINED REGULARIZED MEAN REMARK 210 STRUCTURE REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: THE FOLLOWING EXPERIMENTS WERE CONDUCTED: (1) DOUBLE REMARK 210 AND TRIPLE RESONANCE FOR ASSIGNMENT OF PROTEIN; (2) REMARK 210 QUANTITATIVE J CORRELATION FOR COUPLING CONSTANTS; (3) 3D REMARK 210 SEPARATED NOE EXPERIMENTS; (4) 2D AND 3D DOUBLE AND TRIPLE REMARK 210 RESONANCE EXPERIMENTS FOR DIPOLAR COUPLING MEASUREMENTS IN REMARK 210 LIQUID CRYSTALLINE MEDIUM OF PHAGE PF1. REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 465 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 RES C SSSEQI REMARK 465 PRO A 51 REMARK 465 PRO A 52 REMARK 465 LEU A 53 REMARK 465 PRO A 54 REMARK 465 ALA A 55 REMARK 465 GLY A 56 REMARK 465 THR A 57 REMARK 465 ASN A 58 REMARK 465 SER A 59 REMARK 465 LYS A 60 REMARK 465 GLY A 61 REMARK 465 PRO A 62 REMARK 465 PRO A 63 REMARK 465 ASP A 64 REMARK 465 PHE A 65 REMARK 465 SER A 66 REMARK 465 SER A 67 REMARK 465 ASP A 68 REMARK 465 GLU A 69 REMARK 465 GLU A 70 REMARK 465 ARG A 71 REMARK 465 GLU A 72 REMARK 465 PRO A 73 REMARK 465 THR A 74 REMARK 465 PRO A 75 REMARK 465 VAL A 76 REMARK 465 LEU A 77 REMARK 465 GLY A 78 REMARK 465 SER A 79 REMARK 465 GLY A 80 REMARK 465 ALA A 81 REMARK 465 ALA A 82 REMARK 465 ALA A 83 REMARK 465 ALA A 84 REMARK 465 GLY A 85 REMARK 465 ARG A 86 REMARK 465 SER A 87 REMARK 465 ARG A 88 REMARK 465 ALA A 89 REMARK 465 ALA A 90 REMARK 465 VAL A 91 REMARK 465 GLY A 92 REMARK 465 ARG A 93 REMARK 465 LYS A 94 REMARK 465 ALA A 95 REMARK 465 THR A 96 REMARK 465 LYS A 97 REMARK 465 LYS A 98 REMARK 465 THR A 99 REMARK 465 ASP A 100 REMARK 465 LYS A 101 REMARK 465 PRO A 102 REMARK 465 ARG A 103 REMARK 465 GLN A 104 REMARK 465 GLU A 105 REMARK 465 ASP A 106 REMARK 465 LYS A 107 REMARK 465 ASP A 108 REMARK 465 ASP A 109 REMARK 465 LEU A 110 REMARK 465 THR A 154 REMARK 465 GLU A 155 REMARK 465 SER A 156 REMARK 465 ARG A 157 REMARK 465 SER A 158 REMARK 465 SER A 159 REMARK 465 THR A 160 REMARK 465 PRO A 161 REMARK 465 LEU A 162 REMARK 465 PRO A 163 REMARK 465 THR A 164 REMARK 465 ILE A 165 REMARK 465 SER A 166 REMARK 465 SER A 167 REMARK 465 SER A 168 DBREF 1GJJ A 1 168 UNP P42166 LAP2A_HUMAN 1 168 SEQRES 1 A 168 MET PRO GLU PHE LEU GLU ASP PRO SER VAL LEU THR LYS SEQRES 2 A 168 ASP LYS LEU LYS SER GLU LEU VAL ALA ASN ASN VAL THR SEQRES 3 A 168 LEU PRO ALA GLY GLU GLN ARG LYS ASP VAL TYR VAL GLN SEQRES 4 A 168 LEU TYR LEU GLN HIS LEU THR ALA ARG ASN ARG PRO PRO SEQRES 5 A 168 LEU PRO ALA GLY THR ASN SER LYS GLY PRO PRO ASP PHE SEQRES 6 A 168 SER SER ASP GLU GLU ARG GLU PRO THR PRO VAL LEU GLY SEQRES 7 A 168 SER GLY ALA ALA ALA ALA GLY ARG SER ARG ALA ALA VAL SEQRES 8 A 168 GLY ARG LYS ALA THR LYS LYS THR ASP LYS PRO ARG GLN SEQRES 9 A 168 GLU ASP LYS ASP ASP LEU ASP VAL THR GLU LEU THR ASN SEQRES 10 A 168 GLU ASP LEU LEU ASP GLN LEU VAL LYS TYR GLY VAL ASN SEQRES 11 A 168 PRO GLY PRO ILE VAL GLY THR THR ARG LYS LEU TYR GLU SEQRES 12 A 168 LYS LYS LEU LEU LYS LEU ARG GLU GLN GLY THR GLU SER SEQRES 13 A 168 ARG SER SER THR PRO LEU PRO THR ILE SER SER SER HELIX 1 1 PRO A 8 VAL A 10 3 3 HELIX 2 2 LYS A 13 ALA A 22 1 10 HELIX 3 3 LYS A 34 LEU A 45 1 12 HELIX 4 4 VAL A 112 GLU A 114 3 3 HELIX 5 5 ASN A 117 LYS A 126 1 10 HELIX 6 6 ARG A 139 GLN A 152 1 14 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 12 THR H : A 12 THR N : A 116 THR N :(H bumps) USER MOD NoAdj-H: A 14 ASP H : A 14 ASP N : A 117 ASN C :(H bumps) USER MOD NoAdj-H: A 16 LEU H : A 16 LEU N : A 120 LEU N :(H bumps) USER MOD NoAdj-H: A 17 LYS H : A 17 LYS N : A 121 LEU CA :(H bumps) USER MOD NoAdj-H: A 18 SER H : A 18 SER N : A 121 LEU CA :(H bumps) USER MOD NoAdj-H: A 19 GLU H : A 19 GLU N : A 122 ASP C :(H bumps) USER MOD NoAdj-H: A 20 LEU H : A 20 LEU N : A 124 LEU CA :(H bumps) USER MOD NoAdj-H: A 21 VAL H : A 21 VAL N : A 125 VAL CA :(H bumps) USER MOD NoAdj-H: A 22 ALA H : A 22 ALA N : A 126 LYS N :(H bumps) USER MOD NoAdj-H: A 23 ASN H : A 23 ASN N : A 126 LYS CA :(H bumps) USER MOD NoAdj-H: A 25 VAL H : A 25 VAL N : A 127 TYR C :(H bumps) USER MOD NoAdj-H: A 33 ARG H : A 33 ARG N : A 138 THR CG2 :(H bumps) USER MOD NoAdj-H: A 39 GLN H : A 39 GLN N : A 143 GLU C :(H bumps) USER MOD NoAdj-H: A 39 GLNHE22 : A 39 GLN NE2 : A 144 LYS CD :(H bumps) USER MOD NoAdj-H: A 41 TYR H : A 41 TYR N : A 146 LEU CB :(H bumps) USER MOD NoAdj-H: A 46 THR H : A 46 THR N : A 150 ARG CB :(H bumps) USER MOD NoAdj-H: A 48 ARG H : A 48 ARG N : A 151 GLU CB :(H bumps) USER MOD NoAdj-H: A 49 ASNHD21 : A 49 ASN ND2 : A 150 ARG CZ :(H bumps) USER MOD NoAdj-H: A 49 ASNHD22 : A 49 ASN ND2 : A 150 ARG NH1 :(H bumps) USER MOD NoAdj-H: A 112 VAL H : A 112 VAL N : A 7 ASP C :(H bumps) USER MOD NoAdj-H: A 114 GLU H : A 114 GLU N : A 10 VAL CA :(H bumps) USER MOD NoAdj-H: A 115 LEU H : A 115 LEU N : A 10 VAL C :(H bumps) USER MOD NoAdj-H: A 117 ASN H : A 117 ASN N : A 12 THR CB :(H bumps) USER MOD NoAdj-H: A 120 LEU H : A 120 LEU N : A 15 LYS CA :(H bumps) USER MOD NoAdj-H: A 123 GLN H : A 123 GLN N : A 19 GLU N :(H bumps) USER MOD NoAdj-H: A 126 LYS H : A 126 LYS N : A 22 ALA N :(H bumps) USER MOD NoAdj-H: A 128 GLY H : A 128 GLY N : A 24 ASN N :(H bumps) USER MOD NoAdj-H: A 138 THR H : A 138 THR N : A 33 ARG CA :(H bumps) USER MOD NoAdj-H: A 139 ARG H : A 139 ARG N : A 34 LYS N :(H bumps) USER MOD NoAdj-H: A 142 TYR H : A 142 TYR N : A 37 TYR N :(H bumps) USER MOD NoAdj-H: A 145 LYS H : A 145 LYS N : A 40 LEU N :(H bumps) USER MOD NoAdj-H: A 146 LEU H : A 146 LEU N : A 41 TYR N :(H bumps) USER MOD NoAdj-H: A 148 LYS H : A 148 LYS N : A 43 GLN N :(H bumps) USER MOD NoAdj-H: A 149 LEU H : A 149 LEU N : A 44 HIS N :(H bumps) USER MOD NoAdj-H: A 150 ARGHH12 : A 150 ARG NH1 : A 49 ASN ND2 :(H bumps) USER MOD NoAdj-H: A 151 GLU H : A 151 GLU N : A 45 LEU C :(H bumps) USER MOD Set 1.1: A 43 GLN : amide:sc= -8.19! C(o=-8.2!,f=-11!) USER MOD Set 1.2: A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 37 TYR OH : rot -63:sc= -0.587! USER MOD Set 2.2: A 142 TYR OH : rot -142:sc= -1.17! USER MOD Single : A 1 MET CE :methyl -122:sc= -5.9! (180deg=-9.75!) USER MOD Single : A 1 MET N :NH3+ -155:sc= -0.507 (180deg=-1.81) USER MOD Single : A 13 LYS NZ :NH3+ 170:sc= -38.3! (180deg=-39!) USER MOD Single : A 15 LYS NZ :NH3+ -165:sc= -0.241 (180deg=-0.916) USER MOD Single : A 17 LYS NZ :NH3+ -173:sc= -18.2! (180deg=-19.7!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -26.2! C(o=-26!,f=-26!) USER MOD Single : A 24 ASN : amide:sc= -10.9! C(o=-11!,f=-12!) USER MOD Single : A 26 THR OG1 : rot 19:sc= 0.527! USER MOD Single : A 32 GLN : amide:sc= -10.4! C(o=-10!,f=-17!) USER MOD Single : A 34 LYS NZ :NH3+ 128:sc= -23.6! (180deg=-25.9!) USER MOD Single : A 41 TYR OH : rot 102:sc= 0.508 USER MOD Single : A 44 HIS : no HE2:sc= -41.1! C(o=-41!,f=-43!) USER MOD Single : A 46 THR OG1 : rot -130:sc= -1.28 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 ASN : amide:sc= -12.4! C(o=-12!,f=-15!) USER MOD Single : A 123 GLN : amide:sc= -13! C(o=-13!,f=-16!) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 ASN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 137 THR OG1 : rot -142:sc= -10.5! USER MOD Single : A 138 THR OG1 : rot -82:sc= -1.58! USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 145 LYS NZ :NH3+ 173:sc= -9.07! (180deg=-9.45!) USER MOD Single : A 152 GLN : amide:sc= -16.1! C(o=-16!,f=-20!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 107.633 6.024 -21.095 1.00 1.78 N ATOM 2 CA MET A 1 108.301 5.917 -19.768 1.00 0.84 C ATOM 3 C MET A 1 109.518 6.848 -19.737 1.00 0.69 C ATOM 4 O MET A 1 110.645 6.411 -19.861 1.00 0.77 O ATOM 5 CB MET A 1 108.750 4.469 -19.538 1.00 1.20 C ATOM 6 CG MET A 1 107.664 3.510 -20.032 1.00 1.69 C ATOM 7 SD MET A 1 107.936 1.870 -19.308 1.00 2.75 S ATOM 8 CE MET A 1 106.713 1.990 -17.978 1.00 2.99 C ATOM 0 H1 MET A 1 106.631 5.761 -21.001 1.00 1.78 H new ATOM 0 H2 MET A 1 107.704 7.002 -21.441 1.00 1.78 H new ATOM 0 H3 MET A 1 108.097 5.383 -21.770 1.00 1.78 H new ATOM 0 HA MET A 1 107.604 6.206 -18.981 1.00 0.84 H new ATOM 0 HB2 MET A 1 109.685 4.279 -20.066 1.00 1.20 H new ATOM 0 HB3 MET A 1 108.943 4.301 -18.478 1.00 1.20 H new ATOM 0 HG2 MET A 1 106.679 3.884 -19.754 1.00 1.69 H new ATOM 0 HG3 MET A 1 107.686 3.448 -21.120 1.00 1.69 H new ATOM 0 HE1 MET A 1 107.206 1.846 -17.016 1.00 2.99 H new ATOM 0 HE2 MET A 1 106.244 2.974 -18.002 1.00 2.99 H new ATOM 0 HE3 MET A 1 105.952 1.222 -18.114 1.00 2.99 H new ATOM 20 N PRO A 2 109.289 8.126 -19.574 1.00 0.58 N ATOM 21 CA PRO A 2 110.383 9.143 -19.530 1.00 0.55 C ATOM 22 C PRO A 2 111.497 8.751 -18.554 1.00 0.51 C ATOM 23 O PRO A 2 111.255 8.118 -17.546 1.00 0.50 O ATOM 24 CB PRO A 2 109.667 10.418 -19.059 1.00 0.65 C ATOM 25 CG PRO A 2 108.251 10.246 -19.505 1.00 0.79 C ATOM 26 CD PRO A 2 107.961 8.745 -19.417 1.00 0.66 C ATOM 0 HA PRO A 2 110.880 9.255 -20.494 1.00 0.55 H new ATOM 0 HB2 PRO A 2 109.730 10.531 -17.977 1.00 0.65 H new ATOM 0 HB3 PRO A 2 110.115 11.309 -19.499 1.00 0.65 H new ATOM 0 HG2 PRO A 2 107.570 10.813 -18.870 1.00 0.79 H new ATOM 0 HG3 PRO A 2 108.115 10.611 -20.523 1.00 0.79 H new ATOM 0 HD2 PRO A 2 107.505 8.480 -18.463 1.00 0.66 H new ATOM 0 HD3 PRO A 2 107.273 8.423 -20.199 1.00 0.66 H new ATOM 34 N GLU A 3 112.716 9.120 -18.840 1.00 0.54 N ATOM 35 CA GLU A 3 113.823 8.757 -17.916 1.00 0.49 C ATOM 36 C GLU A 3 113.523 9.322 -16.528 1.00 0.45 C ATOM 37 O GLU A 3 113.283 10.502 -16.363 1.00 0.47 O ATOM 38 CB GLU A 3 115.142 9.336 -18.438 1.00 0.52 C ATOM 39 CG GLU A 3 115.508 8.666 -19.766 1.00 1.35 C ATOM 40 CD GLU A 3 116.869 9.178 -20.240 1.00 2.00 C ATOM 41 OE1 GLU A 3 117.377 10.106 -19.632 1.00 2.62 O ATOM 42 OE2 GLU A 3 117.383 8.631 -21.202 1.00 2.63 O ATOM 0 H GLU A 3 112.990 9.652 -19.666 1.00 0.54 H new ATOM 0 HA GLU A 3 113.910 7.672 -17.857 1.00 0.49 H new ATOM 0 HB2 GLU A 3 115.048 10.413 -18.576 1.00 0.52 H new ATOM 0 HB3 GLU A 3 115.935 9.176 -17.708 1.00 0.52 H new ATOM 0 HG2 GLU A 3 115.538 7.583 -19.643 1.00 1.35 H new ATOM 0 HG3 GLU A 3 114.746 8.880 -20.515 1.00 1.35 H new ATOM 49 N PHE A 4 113.519 8.478 -15.529 1.00 0.42 N ATOM 50 CA PHE A 4 113.219 8.936 -14.138 1.00 0.40 C ATOM 51 C PHE A 4 114.511 9.067 -13.338 1.00 0.38 C ATOM 52 O PHE A 4 115.545 8.545 -13.703 1.00 0.40 O ATOM 53 CB PHE A 4 112.303 7.922 -13.454 1.00 0.41 C ATOM 54 CG PHE A 4 110.966 7.899 -14.154 1.00 0.45 C ATOM 55 CD1 PHE A 4 110.069 8.957 -13.970 1.00 0.51 C ATOM 56 CD2 PHE A 4 110.625 6.828 -14.990 1.00 0.47 C ATOM 57 CE1 PHE A 4 108.830 8.945 -14.617 1.00 0.55 C ATOM 58 CE2 PHE A 4 109.385 6.816 -15.638 1.00 0.52 C ATOM 59 CZ PHE A 4 108.488 7.874 -15.452 1.00 0.55 C ATOM 0 H PHE A 4 113.713 7.481 -15.618 1.00 0.42 H new ATOM 0 HA PHE A 4 112.726 9.907 -14.184 1.00 0.40 H new ATOM 0 HB2 PHE A 4 112.756 6.931 -13.480 1.00 0.41 H new ATOM 0 HB3 PHE A 4 112.171 8.185 -12.404 1.00 0.41 H new ATOM 0 HD1 PHE A 4 110.334 9.784 -13.328 1.00 0.51 H new ATOM 0 HD2 PHE A 4 111.318 6.013 -15.134 1.00 0.47 H new ATOM 0 HE1 PHE A 4 108.137 9.761 -14.473 1.00 0.55 H new ATOM 0 HE2 PHE A 4 109.120 5.990 -16.282 1.00 0.52 H new ATOM 0 HZ PHE A 4 107.531 7.865 -15.953 1.00 0.55 H new ATOM 69 N LEU A 5 114.450 9.777 -12.250 1.00 0.37 N ATOM 70 CA LEU A 5 115.669 9.965 -11.417 1.00 0.37 C ATOM 71 C LEU A 5 116.080 8.627 -10.796 1.00 0.36 C ATOM 72 O LEU A 5 115.255 7.850 -10.358 1.00 0.37 O ATOM 73 CB LEU A 5 115.368 10.968 -10.300 1.00 0.38 C ATOM 74 CG LEU A 5 114.724 12.231 -10.884 1.00 0.40 C ATOM 75 CD1 LEU A 5 114.550 13.264 -9.770 1.00 0.42 C ATOM 76 CD2 LEU A 5 115.622 12.816 -11.983 1.00 0.43 C ATOM 0 H LEU A 5 113.609 10.236 -11.900 1.00 0.37 H new ATOM 0 HA LEU A 5 116.480 10.339 -12.042 1.00 0.37 H new ATOM 0 HB2 LEU A 5 114.701 10.517 -9.566 1.00 0.38 H new ATOM 0 HB3 LEU A 5 116.288 11.228 -9.777 1.00 0.38 H new ATOM 0 HG LEU A 5 113.754 11.978 -11.312 1.00 0.40 H new ATOM 0 HD11 LEU A 5 114.092 14.165 -10.178 1.00 0.42 H new ATOM 0 HD12 LEU A 5 113.910 12.853 -8.990 1.00 0.42 H new ATOM 0 HD13 LEU A 5 115.524 13.511 -9.347 1.00 0.42 H new ATOM 0 HD21 LEU A 5 115.158 13.713 -12.393 1.00 0.43 H new ATOM 0 HD22 LEU A 5 116.594 13.071 -11.561 1.00 0.43 H new ATOM 0 HD23 LEU A 5 115.753 12.080 -12.776 1.00 0.43 H new ATOM 88 N GLU A 6 117.357 8.363 -10.753 1.00 0.39 N ATOM 89 CA GLU A 6 117.848 7.087 -10.160 1.00 0.43 C ATOM 90 C GLU A 6 117.789 7.179 -8.635 1.00 0.48 C ATOM 91 O GLU A 6 118.035 6.217 -7.935 1.00 0.81 O ATOM 92 CB GLU A 6 119.296 6.854 -10.591 1.00 0.49 C ATOM 93 CG GLU A 6 119.362 6.735 -12.113 1.00 0.48 C ATOM 94 CD GLU A 6 120.799 6.425 -12.537 1.00 1.46 C ATOM 95 OE1 GLU A 6 121.677 6.521 -11.695 1.00 2.27 O ATOM 96 OE2 GLU A 6 120.997 6.096 -13.695 1.00 2.20 O ATOM 0 H GLU A 6 118.087 8.982 -11.106 1.00 0.39 H new ATOM 0 HA GLU A 6 117.223 6.262 -10.503 1.00 0.43 H new ATOM 0 HB2 GLU A 6 119.924 7.678 -10.252 1.00 0.49 H new ATOM 0 HB3 GLU A 6 119.683 5.947 -10.128 1.00 0.49 H new ATOM 0 HG2 GLU A 6 118.692 5.947 -12.457 1.00 0.48 H new ATOM 0 HG3 GLU A 6 119.027 7.663 -12.576 1.00 0.48 H new ATOM 103 N ASP A 7 117.457 8.330 -8.111 1.00 0.35 N ATOM 104 CA ASP A 7 117.367 8.501 -6.632 1.00 0.34 C ATOM 105 C ASP A 7 116.195 9.435 -6.334 1.00 0.29 C ATOM 106 O ASP A 7 116.390 10.601 -6.073 1.00 0.31 O ATOM 107 CB ASP A 7 118.660 9.134 -6.114 1.00 0.43 C ATOM 108 CG ASP A 7 119.831 8.189 -6.384 1.00 0.66 C ATOM 109 OD1 ASP A 7 119.722 7.026 -6.028 1.00 1.27 O ATOM 110 OD2 ASP A 7 120.817 8.642 -6.941 1.00 1.19 O ATOM 0 H ASP A 7 117.242 9.168 -8.652 1.00 0.35 H new ATOM 0 HA ASP A 7 117.220 7.536 -6.147 1.00 0.34 H new ATOM 0 HB2 ASP A 7 118.831 10.092 -6.605 1.00 0.43 H new ATOM 0 HB3 ASP A 7 118.578 9.333 -5.046 1.00 0.43 H new ATOM 115 N PRO A 8 114.984 8.941 -6.405 1.00 0.30 N ATOM 116 CA PRO A 8 113.771 9.776 -6.171 1.00 0.35 C ATOM 117 C PRO A 8 113.528 10.066 -4.685 1.00 0.33 C ATOM 118 O PRO A 8 112.687 10.867 -4.330 1.00 0.33 O ATOM 119 CB PRO A 8 112.637 8.927 -6.760 1.00 0.43 C ATOM 120 CG PRO A 8 113.104 7.511 -6.620 1.00 0.44 C ATOM 121 CD PRO A 8 114.636 7.541 -6.712 1.00 0.36 C ATOM 0 HA PRO A 8 113.861 10.762 -6.628 1.00 0.35 H new ATOM 0 HB2 PRO A 8 111.702 9.090 -6.224 1.00 0.43 H new ATOM 0 HB3 PRO A 8 112.454 9.181 -7.804 1.00 0.43 H new ATOM 0 HG2 PRO A 8 112.782 7.089 -5.668 1.00 0.44 H new ATOM 0 HG3 PRO A 8 112.681 6.885 -7.405 1.00 0.44 H new ATOM 0 HD2 PRO A 8 115.092 6.851 -6.002 1.00 0.36 H new ATOM 0 HD3 PRO A 8 114.982 7.252 -7.704 1.00 0.36 H new ATOM 129 N SER A 9 114.257 9.431 -3.815 1.00 0.34 N ATOM 130 CA SER A 9 114.068 9.683 -2.361 1.00 0.34 C ATOM 131 C SER A 9 114.315 11.166 -2.079 1.00 0.33 C ATOM 132 O SER A 9 113.843 11.712 -1.102 1.00 0.33 O ATOM 133 CB SER A 9 115.049 8.828 -1.561 1.00 0.38 C ATOM 134 OG SER A 9 114.864 7.461 -1.907 1.00 1.26 O ATOM 0 H SER A 9 114.977 8.747 -4.047 1.00 0.34 H new ATOM 0 HA SER A 9 113.052 9.421 -2.067 1.00 0.34 H new ATOM 0 HB2 SER A 9 116.074 9.134 -1.772 1.00 0.38 H new ATOM 0 HB3 SER A 9 114.888 8.971 -0.492 1.00 0.38 H new ATOM 140 N VAL A 10 115.038 11.822 -2.943 1.00 0.33 N ATOM 141 CA VAL A 10 115.305 13.274 -2.745 1.00 0.34 C ATOM 142 C VAL A 10 114.043 14.068 -3.102 1.00 0.30 C ATOM 143 O VAL A 10 114.008 15.278 -2.997 1.00 0.31 O ATOM 144 CB VAL A 10 116.455 13.711 -3.653 1.00 0.37 C ATOM 145 CG1 VAL A 10 117.696 12.860 -3.361 1.00 0.42 C ATOM 146 CG2 VAL A 10 116.041 13.529 -5.114 1.00 0.35 C ATOM 0 H VAL A 10 115.456 11.415 -3.779 1.00 0.33 H new ATOM 0 HA VAL A 10 115.576 13.459 -1.706 1.00 0.34 H new ATOM 0 HB VAL A 10 116.688 14.759 -3.466 1.00 0.37 H new ATOM 0 HG11 VAL A 10 118.514 13.174 -4.010 1.00 0.42 H new ATOM 0 HG12 VAL A 10 117.989 12.990 -2.319 1.00 0.42 H new ATOM 0 HG13 VAL A 10 117.469 11.810 -3.546 1.00 0.42 H new ATOM 0 HG21 VAL A 10 116.858 13.839 -5.765 1.00 0.35 H new ATOM 0 HG22 VAL A 10 115.809 12.480 -5.298 1.00 0.35 H new ATOM 0 HG23 VAL A 10 115.161 14.138 -5.321 1.00 0.35 H new ATOM 156 N LEU A 11 113.004 13.391 -3.517 1.00 0.28 N ATOM 157 CA LEU A 11 111.732 14.082 -3.881 1.00 0.26 C ATOM 158 C LEU A 11 110.815 14.139 -2.659 1.00 0.23 C ATOM 159 O LEU A 11 110.902 13.317 -1.768 1.00 0.22 O ATOM 160 CB LEU A 11 111.028 13.289 -4.986 1.00 0.25 C ATOM 161 CG LEU A 11 111.964 13.122 -6.190 1.00 0.31 C ATOM 162 CD1 LEU A 11 111.259 12.287 -7.266 1.00 0.34 C ATOM 163 CD2 LEU A 11 112.330 14.500 -6.769 1.00 0.36 C ATOM 0 H LEU A 11 112.983 12.376 -3.620 1.00 0.28 H new ATOM 0 HA LEU A 11 111.954 15.092 -4.225 1.00 0.26 H new ATOM 0 HB2 LEU A 11 110.729 12.311 -4.609 1.00 0.25 H new ATOM 0 HB3 LEU A 11 110.118 13.805 -5.291 1.00 0.25 H new ATOM 0 HG LEU A 11 112.876 12.618 -5.869 1.00 0.31 H new ATOM 0 HD11 LEU A 11 111.920 12.166 -8.124 1.00 0.34 H new ATOM 0 HD12 LEU A 11 111.008 11.307 -6.860 1.00 0.34 H new ATOM 0 HD13 LEU A 11 110.347 12.794 -7.580 1.00 0.34 H new ATOM 0 HD21 LEU A 11 112.995 14.371 -7.623 1.00 0.36 H new ATOM 0 HD22 LEU A 11 111.423 15.013 -7.089 1.00 0.36 H new ATOM 0 HD23 LEU A 11 112.832 15.094 -6.005 1.00 0.36 H new ATOM 175 N THR A 12 109.932 15.098 -2.613 1.00 0.25 N ATOM 176 CA THR A 12 109.000 15.206 -1.456 1.00 0.25 C ATOM 177 C THR A 12 107.817 14.258 -1.660 1.00 0.25 C ATOM 178 O THR A 12 107.589 13.754 -2.742 1.00 0.24 O ATOM 179 CB THR A 12 108.487 16.643 -1.354 1.00 0.27 C ATOM 180 OG1 THR A 12 107.705 16.939 -2.501 1.00 1.23 O ATOM 181 CG2 THR A 12 109.673 17.606 -1.273 1.00 1.22 C ATOM 0 HA THR A 12 109.525 14.937 -0.539 1.00 0.25 H new ATOM 0 HB THR A 12 107.877 16.754 -0.458 1.00 0.27 H new ATOM 0 HG21 THR A 12 109.306 18.630 -1.200 1.00 1.22 H new ATOM 0 HG22 THR A 12 110.272 17.372 -0.393 1.00 1.22 H new ATOM 0 HG23 THR A 12 110.287 17.503 -2.168 1.00 1.22 H new ATOM 189 N LYS A 13 107.061 14.011 -0.625 1.00 0.28 N ATOM 190 CA LYS A 13 105.889 13.098 -0.746 1.00 0.30 C ATOM 191 C LYS A 13 104.871 13.676 -1.731 1.00 0.28 C ATOM 192 O LYS A 13 104.375 12.981 -2.596 1.00 0.29 O ATOM 193 CB LYS A 13 105.233 12.935 0.628 1.00 0.34 C ATOM 194 CG LYS A 13 104.119 11.882 0.552 1.00 0.72 C ATOM 195 CD LYS A 13 103.424 11.768 1.916 1.00 1.23 C ATOM 196 CE LYS A 13 102.195 10.827 1.828 1.00 2.02 C ATOM 197 NZ LYS A 13 102.010 10.335 0.430 1.00 2.73 N ATOM 0 H LYS A 13 107.206 14.405 0.305 1.00 0.28 H new ATOM 0 HA LYS A 13 106.226 12.129 -1.113 1.00 0.30 H new ATOM 0 HB2 LYS A 13 105.979 12.635 1.364 1.00 0.34 H new ATOM 0 HB3 LYS A 13 104.822 13.888 0.960 1.00 0.34 H new ATOM 0 HG2 LYS A 13 103.395 12.159 -0.214 1.00 0.72 H new ATOM 0 HG3 LYS A 13 104.536 10.917 0.263 1.00 0.72 H new ATOM 0 HD2 LYS A 13 104.127 11.388 2.657 1.00 1.23 H new ATOM 0 HD3 LYS A 13 103.109 12.756 2.253 1.00 1.23 H new ATOM 0 HE2 LYS A 13 102.329 9.981 2.502 1.00 2.02 H new ATOM 0 HE3 LYS A 13 101.300 11.357 2.154 1.00 2.02 H new ATOM 0 HZ1 LYS A 13 101.294 9.580 0.419 1.00 2.73 H new ATOM 0 HZ2 LYS A 13 101.695 11.120 -0.175 1.00 2.73 H new ATOM 0 HZ3 LYS A 13 102.912 9.962 0.071 1.00 2.73 H new ATOM 211 N ASP A 14 104.543 14.934 -1.613 1.00 0.28 N ATOM 212 CA ASP A 14 103.552 15.527 -2.552 1.00 0.28 C ATOM 213 C ASP A 14 104.083 15.431 -3.983 1.00 0.26 C ATOM 214 O ASP A 14 103.352 15.131 -4.906 1.00 0.27 O ATOM 215 CB ASP A 14 103.318 16.994 -2.189 1.00 0.31 C ATOM 216 CG ASP A 14 102.172 17.555 -3.032 1.00 0.34 C ATOM 217 OD1 ASP A 14 101.030 17.360 -2.650 1.00 1.12 O ATOM 218 OD2 ASP A 14 102.456 18.171 -4.046 1.00 1.14 O ATOM 0 HA ASP A 14 102.611 14.982 -2.478 1.00 0.28 H new ATOM 0 HB2 ASP A 14 103.081 17.083 -1.129 1.00 0.31 H new ATOM 0 HB3 ASP A 14 104.226 17.571 -2.362 1.00 0.31 H new ATOM 223 N LYS A 15 105.350 15.676 -4.176 1.00 0.25 N ATOM 224 CA LYS A 15 105.918 15.591 -5.550 1.00 0.25 C ATOM 225 C LYS A 15 105.793 14.155 -6.061 1.00 0.22 C ATOM 226 O LYS A 15 105.382 13.919 -7.178 1.00 0.23 O ATOM 227 CB LYS A 15 107.401 15.991 -5.518 1.00 0.26 C ATOM 228 CG LYS A 15 107.941 16.170 -6.951 1.00 1.13 C ATOM 229 CD LYS A 15 107.661 17.595 -7.453 1.00 1.35 C ATOM 230 CE LYS A 15 108.076 17.715 -8.923 1.00 2.04 C ATOM 231 NZ LYS A 15 109.284 16.877 -9.172 1.00 2.72 N ATOM 0 H LYS A 15 106.014 15.930 -3.445 1.00 0.25 H new ATOM 0 HA LYS A 15 105.373 16.265 -6.211 1.00 0.25 H new ATOM 0 HB2 LYS A 15 107.522 16.919 -4.959 1.00 0.26 H new ATOM 0 HB3 LYS A 15 107.979 15.227 -4.998 1.00 0.26 H new ATOM 0 HG2 LYS A 15 109.013 15.975 -6.970 1.00 1.13 H new ATOM 0 HG3 LYS A 15 107.473 15.444 -7.616 1.00 1.13 H new ATOM 0 HD2 LYS A 15 106.602 17.828 -7.344 1.00 1.35 H new ATOM 0 HD3 LYS A 15 108.210 18.318 -6.850 1.00 1.35 H new ATOM 0 HE2 LYS A 15 107.259 17.394 -9.569 1.00 2.04 H new ATOM 0 HE3 LYS A 15 108.286 18.756 -9.168 1.00 2.04 H new ATOM 0 HZ1 LYS A 15 109.713 17.147 -10.080 1.00 2.72 H new ATOM 0 HZ2 LYS A 15 109.972 17.024 -8.406 1.00 2.72 H new ATOM 0 HZ3 LYS A 15 109.010 15.874 -9.204 1.00 2.72 H new ATOM 245 N LEU A 16 106.138 13.194 -5.250 1.00 0.21 N ATOM 246 CA LEU A 16 106.035 11.774 -5.693 1.00 0.21 C ATOM 247 C LEU A 16 104.578 11.431 -5.986 1.00 0.20 C ATOM 248 O LEU A 16 104.282 10.675 -6.887 1.00 0.22 O ATOM 249 CB LEU A 16 106.546 10.838 -4.588 1.00 0.21 C ATOM 250 CG LEU A 16 108.068 10.993 -4.400 1.00 0.23 C ATOM 251 CD1 LEU A 16 108.449 10.557 -2.980 1.00 0.25 C ATOM 252 CD2 LEU A 16 108.816 10.104 -5.406 1.00 0.23 C ATOM 0 HA LEU A 16 106.638 11.645 -6.592 1.00 0.21 H new ATOM 0 HB2 LEU A 16 106.035 11.061 -3.651 1.00 0.21 H new ATOM 0 HB3 LEU A 16 106.310 9.805 -4.842 1.00 0.21 H new ATOM 0 HG LEU A 16 108.341 12.036 -4.562 1.00 0.23 H new ATOM 0 HD11 LEU A 16 109.525 10.665 -2.843 1.00 0.25 H new ATOM 0 HD12 LEU A 16 107.926 11.181 -2.255 1.00 0.25 H new ATOM 0 HD13 LEU A 16 108.167 9.515 -2.831 1.00 0.25 H new ATOM 0 HD21 LEU A 16 109.891 10.220 -5.266 1.00 0.23 H new ATOM 0 HD22 LEU A 16 108.540 9.062 -5.246 1.00 0.23 H new ATOM 0 HD23 LEU A 16 108.549 10.399 -6.421 1.00 0.23 H new ATOM 264 N LYS A 17 103.663 11.959 -5.224 1.00 0.20 N ATOM 265 CA LYS A 17 102.235 11.628 -5.462 1.00 0.21 C ATOM 266 C LYS A 17 101.836 12.088 -6.865 1.00 0.21 C ATOM 267 O LYS A 17 101.188 11.373 -7.605 1.00 0.21 O ATOM 268 CB LYS A 17 101.376 12.328 -4.409 1.00 0.25 C ATOM 269 CG LYS A 17 99.963 11.743 -4.416 1.00 0.85 C ATOM 270 CD LYS A 17 99.120 12.437 -3.340 1.00 0.86 C ATOM 271 CE LYS A 17 97.859 11.615 -3.062 1.00 1.73 C ATOM 272 NZ LYS A 17 97.128 12.205 -1.905 1.00 2.32 N ATOM 0 HA LYS A 17 102.083 10.551 -5.387 1.00 0.21 H new ATOM 0 HB2 LYS A 17 101.824 12.207 -3.423 1.00 0.25 H new ATOM 0 HB3 LYS A 17 101.337 13.398 -4.612 1.00 0.25 H new ATOM 0 HG2 LYS A 17 99.506 11.879 -5.396 1.00 0.85 H new ATOM 0 HG3 LYS A 17 100.001 10.670 -4.228 1.00 0.85 H new ATOM 0 HD2 LYS A 17 99.702 12.549 -2.425 1.00 0.86 H new ATOM 0 HD3 LYS A 17 98.847 13.440 -3.669 1.00 0.86 H new ATOM 0 HE2 LYS A 17 97.218 11.603 -3.943 1.00 1.73 H new ATOM 0 HE3 LYS A 17 98.126 10.580 -2.848 1.00 1.73 H new ATOM 0 HZ1 LYS A 17 96.338 11.583 -1.640 1.00 2.32 H new ATOM 0 HZ2 LYS A 17 97.777 12.304 -1.098 1.00 2.32 H new ATOM 0 HZ3 LYS A 17 96.758 13.141 -2.169 1.00 2.32 H new ATOM 286 N SER A 18 102.229 13.280 -7.243 1.00 0.24 N ATOM 287 CA SER A 18 101.885 13.782 -8.603 1.00 0.29 C ATOM 288 C SER A 18 102.606 12.939 -9.652 1.00 0.32 C ATOM 289 O SER A 18 102.085 12.689 -10.720 1.00 0.35 O ATOM 290 CB SER A 18 102.313 15.242 -8.745 1.00 0.36 C ATOM 291 OG SER A 18 101.588 16.040 -7.817 1.00 1.42 O ATOM 0 HA SER A 18 100.807 13.709 -8.749 1.00 0.29 H new ATOM 0 HB2 SER A 18 103.384 15.338 -8.565 1.00 0.36 H new ATOM 0 HB3 SER A 18 102.129 15.589 -9.762 1.00 0.36 H new ATOM 0 HG SER A 18 101.863 16.976 -7.906 1.00 1.42 H new ATOM 297 N GLU A 19 103.797 12.487 -9.360 1.00 0.35 N ATOM 298 CA GLU A 19 104.532 11.651 -10.346 1.00 0.44 C ATOM 299 C GLU A 19 103.717 10.398 -10.629 1.00 0.40 C ATOM 300 O GLU A 19 103.540 9.993 -11.760 1.00 0.44 O ATOM 301 CB GLU A 19 105.880 11.233 -9.749 1.00 0.53 C ATOM 302 CG GLU A 19 106.823 12.440 -9.692 1.00 0.89 C ATOM 303 CD GLU A 19 107.213 12.856 -11.113 1.00 1.42 C ATOM 304 OE1 GLU A 19 107.057 12.044 -12.011 1.00 2.16 O ATOM 305 OE2 GLU A 19 107.665 13.980 -11.277 1.00 2.03 O ATOM 0 HA GLU A 19 104.691 12.217 -11.264 1.00 0.44 H new ATOM 0 HB2 GLU A 19 105.734 10.827 -8.748 1.00 0.53 H new ATOM 0 HB3 GLU A 19 106.325 10.441 -10.352 1.00 0.53 H new ATOM 0 HG2 GLU A 19 106.336 13.270 -9.180 1.00 0.89 H new ATOM 0 HG3 GLU A 19 107.715 12.190 -9.118 1.00 0.89 H new ATOM 312 N LEU A 20 103.208 9.788 -9.596 1.00 0.35 N ATOM 313 CA LEU A 20 102.389 8.560 -9.770 1.00 0.35 C ATOM 314 C LEU A 20 101.102 8.907 -10.515 1.00 0.30 C ATOM 315 O LEU A 20 100.650 8.165 -11.364 1.00 0.31 O ATOM 316 CB LEU A 20 102.077 7.983 -8.385 1.00 0.34 C ATOM 317 CG LEU A 20 103.394 7.614 -7.672 1.00 0.38 C ATOM 318 CD1 LEU A 20 103.101 7.170 -6.230 1.00 0.46 C ATOM 319 CD2 LEU A 20 104.101 6.468 -8.420 1.00 0.34 C ATOM 0 HA LEU A 20 102.932 7.818 -10.355 1.00 0.35 H new ATOM 0 HB2 LEU A 20 101.522 8.711 -7.793 1.00 0.34 H new ATOM 0 HB3 LEU A 20 101.444 7.101 -8.481 1.00 0.34 H new ATOM 0 HG LEU A 20 104.041 8.491 -7.661 1.00 0.38 H new ATOM 0 HD11 LEU A 20 104.035 6.911 -5.732 1.00 0.46 H new ATOM 0 HD12 LEU A 20 102.616 7.983 -5.690 1.00 0.46 H new ATOM 0 HD13 LEU A 20 102.444 6.301 -6.243 1.00 0.46 H new ATOM 0 HD21 LEU A 20 105.029 6.217 -7.907 1.00 0.34 H new ATOM 0 HD22 LEU A 20 103.451 5.593 -8.443 1.00 0.34 H new ATOM 0 HD23 LEU A 20 104.324 6.782 -9.440 1.00 0.34 H new ATOM 331 N VAL A 21 100.519 10.035 -10.233 1.00 0.25 N ATOM 332 CA VAL A 21 99.280 10.416 -10.959 1.00 0.21 C ATOM 333 C VAL A 21 99.653 10.775 -12.397 1.00 0.23 C ATOM 334 O VAL A 21 98.967 10.422 -13.336 1.00 0.22 O ATOM 335 CB VAL A 21 98.625 11.603 -10.259 1.00 0.21 C ATOM 336 CG1 VAL A 21 97.383 12.039 -11.031 1.00 0.20 C ATOM 337 CG2 VAL A 21 98.230 11.192 -8.840 1.00 0.22 C ATOM 0 HA VAL A 21 98.570 9.589 -10.966 1.00 0.21 H new ATOM 0 HB VAL A 21 99.328 12.435 -10.219 1.00 0.21 H new ATOM 0 HG11 VAL A 21 96.920 12.887 -10.526 1.00 0.20 H new ATOM 0 HG12 VAL A 21 97.667 12.330 -12.042 1.00 0.20 H new ATOM 0 HG13 VAL A 21 96.674 11.212 -11.076 1.00 0.20 H new ATOM 0 HG21 VAL A 21 97.761 12.036 -8.334 1.00 0.22 H new ATOM 0 HG22 VAL A 21 97.527 10.360 -8.884 1.00 0.22 H new ATOM 0 HG23 VAL A 21 99.119 10.887 -8.289 1.00 0.22 H new ATOM 347 N ALA A 22 100.752 11.451 -12.575 1.00 0.27 N ATOM 348 CA ALA A 22 101.197 11.810 -13.949 1.00 0.31 C ATOM 349 C ALA A 22 101.488 10.524 -14.725 1.00 0.31 C ATOM 350 O ALA A 22 101.404 10.482 -15.935 1.00 0.34 O ATOM 351 CB ALA A 22 102.474 12.647 -13.861 1.00 0.36 C ATOM 0 HA ALA A 22 100.420 12.382 -14.456 1.00 0.31 H new ATOM 0 HB1 ALA A 22 102.805 12.913 -14.865 1.00 0.36 H new ATOM 0 HB2 ALA A 22 102.275 13.555 -13.292 1.00 0.36 H new ATOM 0 HB3 ALA A 22 103.253 12.070 -13.363 1.00 0.36 H new ATOM 357 N ASN A 23 101.827 9.469 -14.030 1.00 0.30 N ATOM 358 CA ASN A 23 102.122 8.168 -14.702 1.00 0.32 C ATOM 359 C ASN A 23 100.892 7.263 -14.629 1.00 0.31 C ATOM 360 O ASN A 23 100.988 6.060 -14.765 1.00 0.33 O ATOM 361 CB ASN A 23 103.287 7.494 -13.979 1.00 0.33 C ATOM 362 CG ASN A 23 104.583 8.237 -14.306 1.00 0.36 C ATOM 363 OD1 ASN A 23 105.314 7.845 -15.193 1.00 1.05 O ATOM 364 ND2 ASN A 23 104.896 9.308 -13.628 1.00 1.19 N ATOM 0 HA ASN A 23 102.380 8.342 -15.747 1.00 0.32 H new ATOM 0 HB2 ASN A 23 103.114 7.498 -12.903 1.00 0.33 H new ATOM 0 HB3 ASN A 23 103.365 6.451 -14.285 1.00 0.33 H new ATOM 0 HD21 ASN A 23 105.754 9.815 -13.843 1.00 1.19 H new ATOM 0 HD22 ASN A 23 104.282 9.637 -12.883 1.00 1.19 H new ATOM 371 N ASN A 24 99.736 7.830 -14.412 1.00 0.28 N ATOM 372 CA ASN A 24 98.481 7.025 -14.326 1.00 0.27 C ATOM 373 C ASN A 24 98.689 5.788 -13.449 1.00 0.28 C ATOM 374 O ASN A 24 98.023 4.786 -13.612 1.00 0.30 O ATOM 375 CB ASN A 24 98.012 6.617 -15.728 1.00 0.31 C ATOM 376 CG ASN A 24 98.951 5.553 -16.306 1.00 0.39 C ATOM 377 OD1 ASN A 24 99.204 4.542 -15.682 1.00 1.17 O ATOM 378 ND2 ASN A 24 99.484 5.739 -17.483 1.00 1.12 N ATOM 0 H ASN A 24 99.605 8.834 -14.288 1.00 0.28 H new ATOM 0 HA ASN A 24 97.709 7.642 -13.867 1.00 0.27 H new ATOM 0 HB2 ASN A 24 96.994 6.229 -15.681 1.00 0.31 H new ATOM 0 HB3 ASN A 24 97.991 7.489 -16.382 1.00 0.31 H new ATOM 0 HD21 ASN A 24 100.111 5.037 -17.876 1.00 1.12 H new ATOM 0 HD22 ASN A 24 99.274 6.587 -18.010 1.00 1.12 H new ATOM 385 N VAL A 25 99.584 5.859 -12.502 1.00 0.27 N ATOM 386 CA VAL A 25 99.801 4.695 -11.599 1.00 0.29 C ATOM 387 C VAL A 25 98.635 4.631 -10.612 1.00 0.27 C ATOM 388 O VAL A 25 98.259 5.627 -10.026 1.00 0.24 O ATOM 389 CB VAL A 25 101.113 4.878 -10.836 1.00 0.28 C ATOM 390 CG1 VAL A 25 101.253 3.780 -9.774 1.00 0.31 C ATOM 391 CG2 VAL A 25 102.281 4.794 -11.819 1.00 0.33 C ATOM 0 HA VAL A 25 99.855 3.772 -12.177 1.00 0.29 H new ATOM 0 HB VAL A 25 101.116 5.851 -10.345 1.00 0.28 H new ATOM 0 HG11 VAL A 25 102.190 3.915 -9.233 1.00 0.31 H new ATOM 0 HG12 VAL A 25 100.418 3.841 -9.076 1.00 0.31 H new ATOM 0 HG13 VAL A 25 101.251 2.803 -10.258 1.00 0.31 H new ATOM 0 HG21 VAL A 25 103.220 4.924 -11.281 1.00 0.33 H new ATOM 0 HG22 VAL A 25 102.275 3.820 -12.309 1.00 0.33 H new ATOM 0 HG23 VAL A 25 102.182 5.578 -12.570 1.00 0.33 H new ATOM 401 N THR A 26 98.050 3.476 -10.422 1.00 0.30 N ATOM 402 CA THR A 26 96.900 3.377 -9.472 1.00 0.31 C ATOM 403 C THR A 26 97.413 3.077 -8.061 1.00 0.31 C ATOM 404 O THR A 26 98.149 2.137 -7.843 1.00 0.33 O ATOM 405 CB THR A 26 95.948 2.259 -9.922 1.00 0.34 C ATOM 406 OG1 THR A 26 96.612 1.009 -9.792 1.00 0.35 O ATOM 407 CG2 THR A 26 95.519 2.458 -11.394 1.00 0.39 C ATOM 0 H THR A 26 98.316 2.604 -10.879 1.00 0.30 H new ATOM 0 HA THR A 26 96.364 4.326 -9.464 1.00 0.31 H new ATOM 0 HB THR A 26 95.056 2.284 -9.296 1.00 0.34 H new ATOM 0 HG1 THR A 26 97.373 1.105 -9.182 1.00 0.35 H new ATOM 0 HG21 THR A 26 94.845 1.653 -11.689 1.00 0.39 H new ATOM 0 HG22 THR A 26 95.008 3.415 -11.498 1.00 0.39 H new ATOM 0 HG23 THR A 26 96.401 2.446 -12.035 1.00 0.39 H new ATOM 415 N LEU A 27 97.040 3.897 -7.111 1.00 0.32 N ATOM 416 CA LEU A 27 97.509 3.703 -5.702 1.00 0.34 C ATOM 417 C LEU A 27 96.437 2.933 -4.900 1.00 0.43 C ATOM 418 O LEU A 27 95.391 3.475 -4.606 1.00 0.57 O ATOM 419 CB LEU A 27 97.721 5.080 -5.043 1.00 0.37 C ATOM 420 CG LEU A 27 98.562 6.003 -5.952 1.00 0.37 C ATOM 421 CD1 LEU A 27 98.342 7.463 -5.534 1.00 0.54 C ATOM 422 CD2 LEU A 27 100.062 5.655 -5.833 1.00 0.41 C ATOM 0 H LEU A 27 96.426 4.699 -7.251 1.00 0.32 H new ATOM 0 HA LEU A 27 98.442 3.140 -5.708 1.00 0.34 H new ATOM 0 HB2 LEU A 27 96.755 5.544 -4.841 1.00 0.37 H new ATOM 0 HB3 LEU A 27 98.221 4.955 -4.083 1.00 0.37 H new ATOM 0 HG LEU A 27 98.249 5.861 -6.987 1.00 0.37 H new ATOM 0 HD11 LEU A 27 98.934 8.118 -6.173 1.00 0.54 H new ATOM 0 HD12 LEU A 27 97.286 7.715 -5.635 1.00 0.54 H new ATOM 0 HD13 LEU A 27 98.649 7.595 -4.496 1.00 0.54 H new ATOM 0 HD21 LEU A 27 100.641 6.314 -6.480 1.00 0.41 H new ATOM 0 HD22 LEU A 27 100.385 5.785 -4.800 1.00 0.41 H new ATOM 0 HD23 LEU A 27 100.220 4.620 -6.135 1.00 0.41 H new ATOM 434 N PRO A 28 96.679 1.685 -4.533 1.00 0.48 N ATOM 435 CA PRO A 28 95.688 0.884 -3.747 1.00 0.59 C ATOM 436 C PRO A 28 95.160 1.647 -2.523 1.00 0.44 C ATOM 437 O PRO A 28 95.890 2.356 -1.860 1.00 0.31 O ATOM 438 CB PRO A 28 96.483 -0.355 -3.304 1.00 0.77 C ATOM 439 CG PRO A 28 97.555 -0.516 -4.332 1.00 0.84 C ATOM 440 CD PRO A 28 97.896 0.897 -4.822 1.00 0.59 C ATOM 0 HA PRO A 28 94.805 0.645 -4.339 1.00 0.59 H new ATOM 0 HB2 PRO A 28 96.908 -0.216 -2.310 1.00 0.77 H new ATOM 0 HB3 PRO A 28 95.845 -1.237 -3.258 1.00 0.77 H new ATOM 0 HG2 PRO A 28 98.433 -1.002 -3.906 1.00 0.84 H new ATOM 0 HG3 PRO A 28 97.213 -1.142 -5.156 1.00 0.84 H new ATOM 0 HD2 PRO A 28 98.764 1.300 -4.301 1.00 0.59 H new ATOM 0 HD3 PRO A 28 98.131 0.903 -5.886 1.00 0.59 H new ATOM 448 N ALA A 29 93.901 1.497 -2.219 1.00 0.58 N ATOM 449 CA ALA A 29 93.328 2.202 -1.037 1.00 0.57 C ATOM 450 C ALA A 29 93.811 1.518 0.243 1.00 0.45 C ATOM 451 O ALA A 29 94.201 0.368 0.231 1.00 0.45 O ATOM 452 CB ALA A 29 91.801 2.146 -1.101 1.00 0.80 C ATOM 0 H ALA A 29 93.243 0.916 -2.738 1.00 0.58 H new ATOM 0 HA ALA A 29 93.652 3.243 -1.039 1.00 0.57 H new ATOM 0 HB1 ALA A 29 91.381 2.661 -0.237 1.00 0.80 H new ATOM 0 HB2 ALA A 29 91.457 2.631 -2.015 1.00 0.80 H new ATOM 0 HB3 ALA A 29 91.475 1.106 -1.097 1.00 0.80 H new ATOM 458 N GLY A 30 93.789 2.211 1.350 1.00 0.42 N ATOM 459 CA GLY A 30 94.251 1.587 2.623 1.00 0.40 C ATOM 460 C GLY A 30 95.775 1.655 2.699 1.00 0.37 C ATOM 461 O GLY A 30 96.419 0.802 3.276 1.00 0.38 O ATOM 0 H GLY A 30 93.473 3.178 1.428 1.00 0.42 H new ATOM 0 HA2 GLY A 30 93.810 2.104 3.475 1.00 0.40 H new ATOM 0 HA3 GLY A 30 93.920 0.550 2.673 1.00 0.40 H new ATOM 465 N GLU A 31 96.360 2.667 2.116 1.00 0.37 N ATOM 466 CA GLU A 31 97.847 2.799 2.150 1.00 0.37 C ATOM 467 C GLU A 31 98.225 4.279 2.192 1.00 0.40 C ATOM 468 O GLU A 31 98.045 5.000 1.230 1.00 0.41 O ATOM 469 CB GLU A 31 98.453 2.164 0.893 1.00 0.38 C ATOM 470 CG GLU A 31 98.169 0.660 0.885 1.00 1.10 C ATOM 471 CD GLU A 31 98.883 0.007 -0.301 1.00 1.67 C ATOM 472 OE1 GLU A 31 99.591 0.713 -1.004 1.00 2.29 O ATOM 473 OE2 GLU A 31 98.705 -1.187 -0.489 1.00 2.26 O ATOM 0 H GLU A 31 95.872 3.410 1.616 1.00 0.37 H new ATOM 0 HA GLU A 31 98.231 2.293 3.036 1.00 0.37 H new ATOM 0 HB2 GLU A 31 98.032 2.628 0.001 1.00 0.38 H new ATOM 0 HB3 GLU A 31 99.528 2.341 0.867 1.00 0.38 H new ATOM 0 HG2 GLU A 31 98.508 0.211 1.818 1.00 1.10 H new ATOM 0 HG3 GLU A 31 97.096 0.483 0.818 1.00 1.10 H new ATOM 480 N GLN A 32 98.750 4.740 3.300 1.00 0.42 N ATOM 481 CA GLN A 32 99.150 6.179 3.412 1.00 0.47 C ATOM 482 C GLN A 32 100.490 6.282 4.143 1.00 0.40 C ATOM 483 O GLN A 32 100.577 6.825 5.226 1.00 0.48 O ATOM 484 CB GLN A 32 98.084 6.964 4.184 1.00 0.60 C ATOM 485 CG GLN A 32 96.788 6.996 3.372 1.00 1.46 C ATOM 486 CD GLN A 32 95.764 7.894 4.069 1.00 2.07 C ATOM 487 OE1 GLN A 32 95.879 8.169 5.247 1.00 2.64 O ATOM 488 NE2 GLN A 32 94.760 8.371 3.382 1.00 2.73 N ATOM 0 H GLN A 32 98.920 4.180 4.136 1.00 0.42 H new ATOM 0 HA GLN A 32 99.246 6.600 2.411 1.00 0.47 H new ATOM 0 HB2 GLN A 32 97.907 6.500 5.154 1.00 0.60 H new ATOM 0 HB3 GLN A 32 98.432 7.979 4.375 1.00 0.60 H new ATOM 0 HG2 GLN A 32 96.987 7.367 2.367 1.00 1.46 H new ATOM 0 HG3 GLN A 32 96.389 5.987 3.266 1.00 1.46 H new ATOM 0 HE21 GLN A 32 94.663 8.140 2.393 1.00 2.73 H new ATOM 0 HE22 GLN A 32 94.073 8.974 3.835 1.00 2.73 H new ATOM 497 N ARG A 33 101.538 5.763 3.550 1.00 0.31 N ATOM 498 CA ARG A 33 102.896 5.824 4.180 1.00 0.27 C ATOM 499 C ARG A 33 103.894 6.345 3.142 1.00 0.23 C ATOM 500 O ARG A 33 103.858 5.960 1.991 1.00 0.23 O ATOM 501 CB ARG A 33 103.305 4.414 4.630 1.00 0.26 C ATOM 502 CG ARG A 33 102.586 4.039 5.941 1.00 1.15 C ATOM 503 CD ARG A 33 103.398 4.530 7.147 1.00 1.58 C ATOM 504 NE ARG A 33 104.530 3.592 7.395 1.00 2.48 N ATOM 505 CZ ARG A 33 105.532 3.957 8.147 1.00 3.27 C ATOM 506 NH1 ARG A 33 105.562 5.156 8.663 1.00 3.42 N ATOM 507 NH2 ARG A 33 106.510 3.124 8.376 1.00 4.34 N ATOM 0 HA ARG A 33 102.883 6.488 5.044 1.00 0.27 H new ATOM 0 HB2 ARG A 33 103.058 3.691 3.853 1.00 0.26 H new ATOM 0 HB3 ARG A 33 104.385 4.370 4.774 1.00 0.26 H new ATOM 0 HG2 ARG A 33 101.590 4.482 5.958 1.00 1.15 H new ATOM 0 HG3 ARG A 33 102.455 2.958 5.997 1.00 1.15 H new ATOM 0 HD2 ARG A 33 103.778 5.534 6.960 1.00 1.58 H new ATOM 0 HD3 ARG A 33 102.760 4.590 8.029 1.00 1.58 H new ATOM 0 HE ARG A 33 104.521 2.662 6.976 1.00 2.48 H new ATOM 0 HH11 ARG A 33 104.801 5.810 8.479 1.00 3.42 H new ATOM 0 HH12 ARG A 33 106.346 5.439 9.251 1.00 3.42 H new ATOM 0 HH21 ARG A 33 106.490 2.190 7.967 1.00 4.34 H new ATOM 0 HH22 ARG A 33 107.294 3.407 8.964 1.00 4.34 H new ATOM 521 N LYS A 34 104.783 7.217 3.533 1.00 0.25 N ATOM 522 CA LYS A 34 105.770 7.755 2.555 1.00 0.27 C ATOM 523 C LYS A 34 106.584 6.609 1.952 1.00 0.23 C ATOM 524 O LYS A 34 106.733 6.514 0.751 1.00 0.23 O ATOM 525 CB LYS A 34 106.713 8.727 3.265 1.00 0.34 C ATOM 526 CG LYS A 34 107.685 9.336 2.247 1.00 1.35 C ATOM 527 CD LYS A 34 108.615 10.327 2.955 1.00 1.68 C ATOM 528 CE LYS A 34 109.497 11.069 1.930 1.00 2.23 C ATOM 529 NZ LYS A 34 109.678 12.478 2.376 1.00 2.80 N ATOM 0 H LYS A 34 104.868 7.579 4.483 1.00 0.25 H new ATOM 0 HA LYS A 34 105.237 8.275 1.759 1.00 0.27 H new ATOM 0 HB2 LYS A 34 106.139 9.516 3.752 1.00 0.34 H new ATOM 0 HB3 LYS A 34 107.267 8.207 4.046 1.00 0.34 H new ATOM 0 HG2 LYS A 34 108.270 8.549 1.771 1.00 1.35 H new ATOM 0 HG3 LYS A 34 107.130 9.843 1.457 1.00 1.35 H new ATOM 0 HD2 LYS A 34 108.025 11.046 3.523 1.00 1.68 H new ATOM 0 HD3 LYS A 34 109.245 9.797 3.669 1.00 1.68 H new ATOM 0 HE2 LYS A 34 110.465 10.576 1.839 1.00 2.23 H new ATOM 0 HE3 LYS A 34 109.032 11.043 0.944 1.00 2.23 H new ATOM 0 HZ1 LYS A 34 110.692 12.711 2.388 1.00 2.80 H new ATOM 0 HZ2 LYS A 34 109.184 13.116 1.720 1.00 2.80 H new ATOM 0 HZ3 LYS A 34 109.285 12.593 3.332 1.00 2.80 H new ATOM 543 N ASP A 35 107.129 5.748 2.767 1.00 0.22 N ATOM 544 CA ASP A 35 107.948 4.628 2.225 1.00 0.20 C ATOM 545 C ASP A 35 107.138 3.831 1.202 1.00 0.19 C ATOM 546 O ASP A 35 107.641 3.441 0.168 1.00 0.19 O ATOM 547 CB ASP A 35 108.374 3.715 3.382 1.00 0.21 C ATOM 548 CG ASP A 35 109.619 2.921 2.983 1.00 1.41 C ATOM 549 OD1 ASP A 35 109.464 1.902 2.332 1.00 2.19 O ATOM 550 OD2 ASP A 35 110.706 3.353 3.330 1.00 2.19 O ATOM 0 H ASP A 35 107.043 5.772 3.783 1.00 0.22 H new ATOM 0 HA ASP A 35 108.832 5.030 1.730 1.00 0.20 H new ATOM 0 HB2 ASP A 35 108.581 4.311 4.271 1.00 0.21 H new ATOM 0 HB3 ASP A 35 107.563 3.033 3.637 1.00 0.21 H new ATOM 555 N VAL A 36 105.889 3.599 1.469 1.00 0.19 N ATOM 556 CA VAL A 36 105.057 2.846 0.492 1.00 0.20 C ATOM 557 C VAL A 36 105.046 3.597 -0.838 1.00 0.21 C ATOM 558 O VAL A 36 105.158 3.005 -1.894 1.00 0.23 O ATOM 559 CB VAL A 36 103.627 2.730 1.033 1.00 0.21 C ATOM 560 CG1 VAL A 36 102.688 2.216 -0.067 1.00 0.23 C ATOM 561 CG2 VAL A 36 103.616 1.743 2.202 1.00 0.23 C ATOM 0 H VAL A 36 105.407 3.896 2.317 1.00 0.19 H new ATOM 0 HA VAL A 36 105.469 1.848 0.342 1.00 0.20 H new ATOM 0 HB VAL A 36 103.287 3.711 1.364 1.00 0.21 H new ATOM 0 HG11 VAL A 36 101.675 2.137 0.327 1.00 0.23 H new ATOM 0 HG12 VAL A 36 102.697 2.910 -0.907 1.00 0.23 H new ATOM 0 HG13 VAL A 36 103.024 1.235 -0.403 1.00 0.23 H new ATOM 0 HG21 VAL A 36 102.603 1.654 2.593 1.00 0.23 H new ATOM 0 HG22 VAL A 36 103.959 0.767 1.858 1.00 0.23 H new ATOM 0 HG23 VAL A 36 104.279 2.104 2.989 1.00 0.23 H new ATOM 571 N TYR A 37 104.931 4.896 -0.802 1.00 0.21 N ATOM 572 CA TYR A 37 104.938 5.667 -2.072 1.00 0.24 C ATOM 573 C TYR A 37 106.346 5.677 -2.654 1.00 0.25 C ATOM 574 O TYR A 37 106.525 5.698 -3.855 1.00 0.27 O ATOM 575 CB TYR A 37 104.470 7.104 -1.828 1.00 0.27 C ATOM 576 CG TYR A 37 103.003 7.092 -1.460 1.00 0.29 C ATOM 577 CD1 TYR A 37 102.052 6.669 -2.398 1.00 0.34 C ATOM 578 CD2 TYR A 37 102.593 7.492 -0.183 1.00 0.29 C ATOM 579 CE1 TYR A 37 100.693 6.644 -2.058 1.00 0.38 C ATOM 580 CE2 TYR A 37 101.236 7.467 0.158 1.00 0.32 C ATOM 581 CZ TYR A 37 100.285 7.043 -0.780 1.00 0.36 C ATOM 582 OH TYR A 37 98.947 7.016 -0.442 1.00 0.40 O ATOM 0 H TYR A 37 104.833 5.452 0.047 1.00 0.21 H new ATOM 0 HA TYR A 37 104.255 5.192 -2.776 1.00 0.24 H new ATOM 0 HB2 TYR A 37 105.054 7.559 -1.028 1.00 0.27 H new ATOM 0 HB3 TYR A 37 104.628 7.708 -2.722 1.00 0.27 H new ATOM 0 HD1 TYR A 37 102.367 6.362 -3.384 1.00 0.34 H new ATOM 0 HD2 TYR A 37 103.325 7.820 0.540 1.00 0.29 H new ATOM 0 HE1 TYR A 37 99.961 6.317 -2.782 1.00 0.38 H new ATOM 0 HE2 TYR A 37 100.922 7.775 1.144 1.00 0.32 H new ATOM 0 HH TYR A 37 98.454 7.646 -1.008 1.00 0.40 H new ATOM 592 N VAL A 38 107.358 5.666 -1.827 1.00 0.23 N ATOM 593 CA VAL A 38 108.731 5.680 -2.385 1.00 0.24 C ATOM 594 C VAL A 38 109.016 4.337 -3.057 1.00 0.25 C ATOM 595 O VAL A 38 109.573 4.277 -4.135 1.00 0.26 O ATOM 596 CB VAL A 38 109.741 5.921 -1.263 1.00 0.24 C ATOM 597 CG1 VAL A 38 111.165 5.725 -1.797 1.00 0.26 C ATOM 598 CG2 VAL A 38 109.583 7.351 -0.742 1.00 0.25 C ATOM 0 H VAL A 38 107.292 5.648 -0.809 1.00 0.23 H new ATOM 0 HA VAL A 38 108.818 6.480 -3.120 1.00 0.24 H new ATOM 0 HB VAL A 38 109.561 5.213 -0.454 1.00 0.24 H new ATOM 0 HG11 VAL A 38 111.882 5.898 -0.994 1.00 0.26 H new ATOM 0 HG12 VAL A 38 111.277 4.707 -2.170 1.00 0.26 H new ATOM 0 HG13 VAL A 38 111.350 6.431 -2.607 1.00 0.26 H new ATOM 0 HG21 VAL A 38 110.301 7.528 0.059 1.00 0.25 H new ATOM 0 HG22 VAL A 38 109.763 8.056 -1.554 1.00 0.25 H new ATOM 0 HG23 VAL A 38 108.572 7.489 -0.359 1.00 0.25 H new ATOM 608 N GLN A 39 108.666 3.253 -2.412 1.00 0.24 N ATOM 609 CA GLN A 39 108.953 1.921 -3.011 1.00 0.26 C ATOM 610 C GLN A 39 108.046 1.690 -4.224 1.00 0.27 C ATOM 611 O GLN A 39 108.436 1.054 -5.184 1.00 0.29 O ATOM 612 CB GLN A 39 108.750 0.827 -1.963 1.00 0.28 C ATOM 613 CG GLN A 39 109.401 -0.470 -2.439 1.00 1.18 C ATOM 614 CD GLN A 39 109.202 -1.556 -1.380 1.00 1.72 C ATOM 615 OE1 GLN A 39 108.100 -2.025 -1.171 1.00 2.39 O ATOM 616 NE2 GLN A 39 110.230 -1.979 -0.695 1.00 2.31 N ATOM 0 HA GLN A 39 109.990 1.889 -3.346 1.00 0.26 H new ATOM 0 HB2 GLN A 39 109.185 1.136 -1.012 1.00 0.28 H new ATOM 0 HB3 GLN A 39 107.685 0.669 -1.790 1.00 0.28 H new ATOM 0 HG2 GLN A 39 108.961 -0.785 -3.386 1.00 1.18 H new ATOM 0 HG3 GLN A 39 110.464 -0.312 -2.618 1.00 1.18 H new ATOM 0 HE21 GLN A 39 111.155 -1.587 -0.869 1.00 2.31 H new ATOM 625 N LEU A 40 106.853 2.213 -4.207 1.00 0.27 N ATOM 626 CA LEU A 40 105.972 2.015 -5.392 1.00 0.28 C ATOM 627 C LEU A 40 106.662 2.668 -6.591 1.00 0.28 C ATOM 628 O LEU A 40 106.670 2.146 -7.688 1.00 0.29 O ATOM 629 CB LEU A 40 104.596 2.647 -5.151 1.00 0.29 C ATOM 630 CG LEU A 40 103.725 1.712 -4.290 1.00 0.30 C ATOM 631 CD1 LEU A 40 102.585 2.516 -3.661 1.00 0.31 C ATOM 632 CD2 LEU A 40 103.122 0.588 -5.152 1.00 0.33 C ATOM 0 H LEU A 40 106.455 2.758 -3.442 1.00 0.27 H new ATOM 0 HA LEU A 40 105.814 0.952 -5.577 1.00 0.28 H new ATOM 0 HB2 LEU A 40 104.712 3.609 -4.653 1.00 0.29 H new ATOM 0 HB3 LEU A 40 104.104 2.839 -6.104 1.00 0.29 H new ATOM 0 HG LEU A 40 104.351 1.271 -3.514 1.00 0.30 H new ATOM 0 HD11 LEU A 40 101.968 1.856 -3.051 1.00 0.31 H new ATOM 0 HD12 LEU A 40 102.999 3.306 -3.035 1.00 0.31 H new ATOM 0 HD13 LEU A 40 101.975 2.959 -4.448 1.00 0.31 H new ATOM 0 HD21 LEU A 40 102.510 -0.062 -4.526 1.00 0.33 H new ATOM 0 HD22 LEU A 40 102.503 1.023 -5.937 1.00 0.33 H new ATOM 0 HD23 LEU A 40 103.925 0.006 -5.604 1.00 0.33 H new ATOM 644 N TYR A 41 107.272 3.797 -6.363 1.00 0.27 N ATOM 645 CA TYR A 41 108.012 4.501 -7.449 1.00 0.27 C ATOM 646 C TYR A 41 109.154 3.592 -7.917 1.00 0.27 C ATOM 647 O TYR A 41 109.358 3.392 -9.098 1.00 0.29 O ATOM 648 CB TYR A 41 108.572 5.804 -6.873 1.00 0.27 C ATOM 649 CG TYR A 41 109.126 6.687 -7.965 1.00 0.24 C ATOM 650 CD1 TYR A 41 110.390 6.426 -8.502 1.00 0.21 C ATOM 651 CD2 TYR A 41 108.384 7.782 -8.420 1.00 0.28 C ATOM 652 CE1 TYR A 41 110.912 7.260 -9.497 1.00 0.22 C ATOM 653 CE2 TYR A 41 108.906 8.618 -9.411 1.00 0.28 C ATOM 654 CZ TYR A 41 110.170 8.359 -9.950 1.00 0.24 C ATOM 655 OH TYR A 41 110.684 9.190 -10.922 1.00 0.27 O ATOM 0 HA TYR A 41 107.362 4.727 -8.294 1.00 0.27 H new ATOM 0 HB2 TYR A 41 107.786 6.335 -6.335 1.00 0.27 H new ATOM 0 HB3 TYR A 41 109.356 5.578 -6.150 1.00 0.27 H new ATOM 0 HD1 TYR A 41 110.963 5.581 -8.149 1.00 0.21 H new ATOM 0 HD2 TYR A 41 107.407 7.982 -8.005 1.00 0.28 H new ATOM 0 HE1 TYR A 41 111.887 7.057 -9.916 1.00 0.22 H new ATOM 0 HE2 TYR A 41 108.333 9.464 -9.761 1.00 0.28 H new ATOM 0 HH TYR A 41 110.272 8.977 -11.786 1.00 0.27 H new ATOM 665 N LEU A 42 109.873 3.011 -6.999 1.00 0.27 N ATOM 666 CA LEU A 42 110.979 2.076 -7.357 1.00 0.28 C ATOM 667 C LEU A 42 110.398 0.764 -7.893 1.00 0.29 C ATOM 668 O LEU A 42 110.928 0.159 -8.803 1.00 0.30 O ATOM 669 CB LEU A 42 111.774 1.769 -6.088 1.00 0.29 C ATOM 670 CG LEU A 42 112.336 3.070 -5.502 1.00 0.29 C ATOM 671 CD1 LEU A 42 113.015 2.756 -4.168 1.00 0.30 C ATOM 672 CD2 LEU A 42 113.362 3.695 -6.471 1.00 0.31 C ATOM 0 H LEU A 42 109.740 3.146 -5.997 1.00 0.27 H new ATOM 0 HA LEU A 42 111.613 2.531 -8.118 1.00 0.28 H new ATOM 0 HB2 LEU A 42 111.134 1.276 -5.356 1.00 0.29 H new ATOM 0 HB3 LEU A 42 112.587 1.080 -6.315 1.00 0.29 H new ATOM 0 HG LEU A 42 111.523 3.780 -5.351 1.00 0.29 H new ATOM 0 HD11 LEU A 42 113.419 3.674 -3.741 1.00 0.30 H new ATOM 0 HD12 LEU A 42 112.286 2.326 -3.481 1.00 0.30 H new ATOM 0 HD13 LEU A 42 113.824 2.044 -4.330 1.00 0.30 H new ATOM 0 HD21 LEU A 42 113.752 4.618 -6.042 1.00 0.31 H new ATOM 0 HD22 LEU A 42 114.182 2.995 -6.634 1.00 0.31 H new ATOM 0 HD23 LEU A 42 112.877 3.914 -7.422 1.00 0.31 H new ATOM 684 N GLN A 43 109.322 0.313 -7.311 1.00 0.28 N ATOM 685 CA GLN A 43 108.705 -0.972 -7.753 1.00 0.30 C ATOM 686 C GLN A 43 108.150 -0.865 -9.174 1.00 0.31 C ATOM 687 O GLN A 43 108.252 -1.787 -9.957 1.00 0.32 O ATOM 688 CB GLN A 43 107.553 -1.322 -6.815 1.00 0.32 C ATOM 689 CG GLN A 43 107.094 -2.754 -7.097 1.00 1.01 C ATOM 690 CD GLN A 43 105.886 -3.084 -6.222 1.00 1.43 C ATOM 691 OE1 GLN A 43 104.907 -2.366 -6.220 1.00 1.94 O ATOM 692 NE2 GLN A 43 105.915 -4.153 -5.476 1.00 2.08 N ATOM 0 H GLN A 43 108.840 0.781 -6.544 1.00 0.28 H new ATOM 0 HA GLN A 43 109.477 -1.741 -7.733 1.00 0.30 H new ATOM 0 HB2 GLN A 43 107.871 -1.227 -5.777 1.00 0.32 H new ATOM 0 HB3 GLN A 43 106.726 -0.627 -6.960 1.00 0.32 H new ATOM 0 HG2 GLN A 43 106.834 -2.863 -8.150 1.00 1.01 H new ATOM 0 HG3 GLN A 43 107.905 -3.454 -6.895 1.00 1.01 H new ATOM 0 HE21 GLN A 43 106.738 -4.755 -5.479 1.00 2.08 H new ATOM 0 HE22 GLN A 43 105.114 -4.387 -4.889 1.00 2.08 H new ATOM 701 N HIS A 44 107.520 0.226 -9.501 1.00 0.32 N ATOM 702 CA HIS A 44 106.915 0.359 -10.861 1.00 0.34 C ATOM 703 C HIS A 44 107.930 0.873 -11.882 1.00 0.32 C ATOM 704 O HIS A 44 108.006 0.379 -12.990 1.00 0.36 O ATOM 705 CB HIS A 44 105.734 1.334 -10.798 1.00 0.36 C ATOM 706 CG HIS A 44 104.593 0.693 -10.059 1.00 0.38 C ATOM 707 ND1 HIS A 44 103.865 -0.359 -10.598 1.00 0.54 N ATOM 708 CD2 HIS A 44 104.041 0.939 -8.827 1.00 0.48 C ATOM 709 CE1 HIS A 44 102.925 -0.704 -9.700 1.00 0.50 C ATOM 710 NE2 HIS A 44 102.991 0.056 -8.605 1.00 0.44 N ATOM 0 H HIS A 44 107.396 1.033 -8.889 1.00 0.32 H new ATOM 0 HA HIS A 44 106.581 -0.629 -11.178 1.00 0.34 H new ATOM 0 HB2 HIS A 44 106.035 2.254 -10.297 1.00 0.36 H new ATOM 0 HB3 HIS A 44 105.421 1.608 -11.805 1.00 0.36 H new ATOM 0 HD1 HIS A 44 104.016 -0.792 -11.509 1.00 0.54 H new ATOM 0 HD2 HIS A 44 104.371 1.701 -8.137 1.00 0.48 H new ATOM 0 HE1 HIS A 44 102.207 -1.497 -9.847 1.00 0.50 H new ATOM 719 N LEU A 45 108.674 1.890 -11.549 1.00 0.29 N ATOM 720 CA LEU A 45 109.639 2.463 -12.539 1.00 0.28 C ATOM 721 C LEU A 45 111.029 1.825 -12.427 1.00 0.26 C ATOM 722 O LEU A 45 111.452 1.109 -13.304 1.00 0.24 O ATOM 723 CB LEU A 45 109.762 3.970 -12.318 1.00 0.28 C ATOM 724 CG LEU A 45 108.374 4.578 -12.104 1.00 0.31 C ATOM 725 CD1 LEU A 45 108.497 6.102 -12.039 1.00 0.32 C ATOM 726 CD2 LEU A 45 107.452 4.190 -13.266 1.00 0.36 C ATOM 0 H LEU A 45 108.659 2.350 -10.639 1.00 0.29 H new ATOM 0 HA LEU A 45 109.251 2.251 -13.535 1.00 0.28 H new ATOM 0 HB2 LEU A 45 110.394 4.169 -11.452 1.00 0.28 H new ATOM 0 HB3 LEU A 45 110.244 4.435 -13.178 1.00 0.28 H new ATOM 0 HG LEU A 45 107.953 4.201 -11.172 1.00 0.31 H new ATOM 0 HD11 LEU A 45 107.511 6.540 -11.887 1.00 0.32 H new ATOM 0 HD12 LEU A 45 109.149 6.379 -11.211 1.00 0.32 H new ATOM 0 HD13 LEU A 45 108.919 6.473 -12.973 1.00 0.32 H new ATOM 0 HD21 LEU A 45 106.465 4.625 -13.109 1.00 0.36 H new ATOM 0 HD22 LEU A 45 107.869 4.564 -14.201 1.00 0.36 H new ATOM 0 HD23 LEU A 45 107.366 3.105 -13.315 1.00 0.36 H new ATOM 738 N THR A 46 111.759 2.110 -11.383 1.00 0.29 N ATOM 739 CA THR A 46 113.144 1.557 -11.280 1.00 0.29 C ATOM 740 C THR A 46 113.129 0.047 -11.539 1.00 0.27 C ATOM 741 O THR A 46 113.900 -0.458 -12.330 1.00 0.24 O ATOM 742 CB THR A 46 113.700 1.841 -9.880 1.00 0.36 C ATOM 743 OG1 THR A 46 113.400 3.184 -9.526 1.00 0.53 O ATOM 744 CG2 THR A 46 115.220 1.647 -9.870 1.00 0.89 C ATOM 0 HA THR A 46 113.779 2.033 -12.027 1.00 0.29 H new ATOM 0 HB THR A 46 113.246 1.154 -9.166 1.00 0.36 H new ATOM 0 HG1 THR A 46 114.213 3.627 -9.206 1.00 0.53 H new ATOM 0 HG21 THR A 46 115.606 1.851 -8.871 1.00 0.89 H new ATOM 0 HG22 THR A 46 115.458 0.620 -10.148 1.00 0.89 H new ATOM 0 HG23 THR A 46 115.679 2.332 -10.583 1.00 0.89 H new ATOM 752 N ALA A 47 112.274 -0.679 -10.891 1.00 0.32 N ATOM 753 CA ALA A 47 112.239 -2.151 -11.115 1.00 0.37 C ATOM 754 C ALA A 47 112.179 -2.464 -12.621 1.00 0.34 C ATOM 755 O ALA A 47 112.534 -3.547 -13.039 1.00 0.38 O ATOM 756 CB ALA A 47 111.008 -2.745 -10.423 1.00 0.47 C ATOM 0 H ALA A 47 111.597 -0.323 -10.216 1.00 0.32 H new ATOM 0 HA ALA A 47 113.145 -2.591 -10.699 1.00 0.37 H new ATOM 0 HB1 ALA A 47 110.983 -3.822 -10.587 1.00 0.47 H new ATOM 0 HB2 ALA A 47 111.059 -2.542 -9.353 1.00 0.47 H new ATOM 0 HB3 ALA A 47 110.106 -2.294 -10.836 1.00 0.47 H new ATOM 762 N ARG A 48 111.730 -1.534 -13.435 1.00 0.33 N ATOM 763 CA ARG A 48 111.650 -1.798 -14.918 1.00 0.40 C ATOM 764 C ARG A 48 112.415 -0.720 -15.699 1.00 0.47 C ATOM 765 O ARG A 48 112.635 -0.844 -16.887 1.00 0.76 O ATOM 766 CB ARG A 48 110.188 -1.769 -15.366 1.00 0.45 C ATOM 767 CG ARG A 48 109.351 -2.725 -14.507 1.00 1.06 C ATOM 768 CD ARG A 48 107.930 -2.845 -15.095 1.00 1.34 C ATOM 769 NE ARG A 48 106.945 -3.027 -13.993 1.00 1.84 N ATOM 770 CZ ARG A 48 105.672 -2.841 -14.223 1.00 2.30 C ATOM 771 NH1 ARG A 48 105.258 -2.553 -15.428 1.00 2.49 N ATOM 772 NH2 ARG A 48 104.811 -2.949 -13.248 1.00 3.21 N ATOM 0 HA ARG A 48 112.091 -2.775 -15.116 1.00 0.40 H new ATOM 0 HB2 ARG A 48 109.795 -0.756 -15.283 1.00 0.45 H new ATOM 0 HB3 ARG A 48 110.116 -2.054 -16.416 1.00 0.45 H new ATOM 0 HG2 ARG A 48 109.824 -3.706 -14.472 1.00 1.06 H new ATOM 0 HG3 ARG A 48 109.301 -2.358 -13.482 1.00 1.06 H new ATOM 0 HD2 ARG A 48 107.687 -1.951 -15.669 1.00 1.34 H new ATOM 0 HD3 ARG A 48 107.881 -3.689 -15.783 1.00 1.34 H new ATOM 0 HE ARG A 48 107.263 -3.296 -13.062 1.00 1.84 H new ATOM 0 HH11 ARG A 48 105.929 -2.473 -16.192 1.00 2.49 H new ATOM 0 HH12 ARG A 48 104.264 -2.408 -15.605 1.00 2.49 H new ATOM 0 HH21 ARG A 48 105.132 -3.178 -12.307 1.00 3.21 H new ATOM 0 HH22 ARG A 48 103.817 -2.804 -13.427 1.00 3.21 H new ATOM 786 N ASN A 49 112.804 0.338 -15.053 1.00 0.44 N ATOM 787 CA ASN A 49 113.531 1.429 -15.766 1.00 0.71 C ATOM 788 C ASN A 49 114.943 0.967 -16.120 1.00 0.77 C ATOM 789 O ASN A 49 115.835 1.772 -16.299 1.00 1.50 O ATOM 790 CB ASN A 49 113.632 2.652 -14.848 1.00 0.95 C ATOM 791 CG ASN A 49 113.919 3.905 -15.677 1.00 1.24 C ATOM 792 OD1 ASN A 49 114.050 3.834 -16.882 1.00 1.85 O ATOM 793 ND2 ASN A 49 114.018 5.057 -15.074 1.00 1.72 N ATOM 0 H ASN A 49 112.651 0.499 -14.057 1.00 0.44 H new ATOM 0 HA ASN A 49 112.989 1.683 -16.677 1.00 0.71 H new ATOM 0 HB2 ASN A 49 112.703 2.778 -14.293 1.00 0.95 H new ATOM 0 HB3 ASN A 49 114.424 2.502 -14.114 1.00 0.95 H new ATOM 800 N ARG A 50 115.168 -0.314 -16.196 1.00 1.03 N ATOM 801 CA ARG A 50 116.538 -0.819 -16.512 1.00 1.25 C ATOM 802 C ARG A 50 116.427 -2.044 -17.427 1.00 1.94 C ATOM 803 O ARG A 50 117.387 -2.450 -18.053 1.00 2.62 O ATOM 804 CB ARG A 50 117.254 -1.192 -15.198 1.00 1.98 C ATOM 805 CG ARG A 50 116.229 -1.652 -14.153 1.00 2.59 C ATOM 806 CD ARG A 50 116.949 -2.037 -12.859 1.00 3.25 C ATOM 807 NE ARG A 50 117.515 -0.821 -12.210 1.00 3.92 N ATOM 808 CZ ARG A 50 117.841 -0.854 -10.945 1.00 4.61 C ATOM 809 NH1 ARG A 50 117.649 -1.944 -10.251 1.00 4.83 N ATOM 810 NH2 ARG A 50 118.356 0.201 -10.374 1.00 5.45 N ATOM 0 H ARG A 50 114.463 -1.037 -16.053 1.00 1.03 H new ATOM 0 HA ARG A 50 117.114 -0.048 -17.024 1.00 1.25 H new ATOM 0 HB2 ARG A 50 117.979 -1.985 -15.382 1.00 1.98 H new ATOM 0 HB3 ARG A 50 117.810 -0.333 -14.821 1.00 1.98 H new ATOM 0 HG2 ARG A 50 115.511 -0.855 -13.958 1.00 2.59 H new ATOM 0 HG3 ARG A 50 115.664 -2.503 -14.533 1.00 2.59 H new ATOM 0 HD2 ARG A 50 116.255 -2.532 -12.180 1.00 3.25 H new ATOM 0 HD3 ARG A 50 117.746 -2.749 -13.074 1.00 3.25 H new ATOM 0 HE ARG A 50 117.647 0.034 -12.751 1.00 3.92 H new ATOM 0 HH11 ARG A 50 117.245 -2.768 -10.697 1.00 4.83 H new ATOM 0 HH12 ARG A 50 117.903 -1.971 -9.264 1.00 4.83 H new ATOM 0 HH21 ARG A 50 118.504 1.053 -10.915 1.00 5.45 H new ATOM 0 HH22 ARG A 50 118.610 0.174 -9.386 1.00 5.45 H new ATOM 824 N ASP A 111 117.521 11.520 -7.786 1.00 1.21 N ATOM 825 CA ASP A 111 117.120 10.735 -6.586 1.00 0.93 C ATOM 826 C ASP A 111 115.619 10.870 -6.318 1.00 0.78 C ATOM 827 O ASP A 111 115.075 11.954 -6.243 1.00 0.65 O ATOM 828 CB ASP A 111 117.889 11.249 -5.369 1.00 1.37 C ATOM 829 CG ASP A 111 119.373 10.909 -5.516 1.00 2.36 C ATOM 830 OD1 ASP A 111 119.720 10.271 -6.496 1.00 3.12 O ATOM 831 OD2 ASP A 111 120.138 11.295 -4.648 1.00 2.92 O ATOM 0 HA ASP A 111 117.350 9.685 -6.768 1.00 0.93 H new ATOM 0 HB2 ASP A 111 117.761 12.327 -5.274 1.00 1.37 H new ATOM 0 HB3 ASP A 111 117.491 10.800 -4.459 1.00 1.37 H new ATOM 836 N VAL A 112 114.970 9.756 -6.150 1.00 0.84 N ATOM 837 CA VAL A 112 113.514 9.746 -5.846 1.00 0.76 C ATOM 838 C VAL A 112 113.304 10.148 -4.389 1.00 0.65 C ATOM 839 O VAL A 112 112.233 10.553 -3.991 1.00 0.63 O ATOM 840 CB VAL A 112 112.978 8.318 -6.055 1.00 0.90 C ATOM 841 CG1 VAL A 112 113.013 7.955 -7.561 1.00 1.06 C ATOM 842 CG2 VAL A 112 113.841 7.319 -5.255 1.00 0.94 C ATOM 0 HA VAL A 112 112.990 10.444 -6.499 1.00 0.76 H new ATOM 0 HB VAL A 112 111.948 8.267 -5.703 1.00 0.90 H new ATOM 0 HG11 VAL A 112 112.632 6.943 -7.700 1.00 1.06 H new ATOM 0 HG12 VAL A 112 112.392 8.656 -8.119 1.00 1.06 H new ATOM 0 HG13 VAL A 112 114.039 8.010 -7.925 1.00 1.06 H new ATOM 0 HG21 VAL A 112 113.460 6.309 -5.404 1.00 0.94 H new ATOM 0 HG22 VAL A 112 114.874 7.372 -5.600 1.00 0.94 H new ATOM 0 HG23 VAL A 112 113.799 7.570 -4.195 1.00 0.94 H new ATOM 852 N THR A 113 114.325 10.024 -3.588 1.00 0.68 N ATOM 853 CA THR A 113 114.194 10.384 -2.154 1.00 0.64 C ATOM 854 C THR A 113 114.342 11.894 -1.976 1.00 0.63 C ATOM 855 O THR A 113 113.963 12.451 -0.962 1.00 0.70 O ATOM 856 CB THR A 113 115.282 9.667 -1.351 1.00 0.74 C ATOM 857 OG1 THR A 113 115.190 8.269 -1.584 1.00 0.78 O ATOM 858 CG2 THR A 113 115.098 9.951 0.142 1.00 0.75 C ATOM 0 H THR A 113 115.246 9.688 -3.868 1.00 0.68 H new ATOM 0 HA THR A 113 113.210 10.079 -1.797 1.00 0.64 H new ATOM 0 HB THR A 113 116.262 10.028 -1.664 1.00 0.74 H new ATOM 0 HG21 THR A 113 115.875 9.438 0.708 1.00 0.75 H new ATOM 0 HG22 THR A 113 115.168 11.024 0.320 1.00 0.75 H new ATOM 0 HG23 THR A 113 114.120 9.593 0.463 1.00 0.75 H new ATOM 866 N GLU A 114 114.913 12.567 -2.936 1.00 0.62 N ATOM 867 CA GLU A 114 115.101 14.039 -2.796 1.00 0.63 C ATOM 868 C GLU A 114 113.854 14.779 -3.299 1.00 0.56 C ATOM 869 O GLU A 114 113.775 15.989 -3.225 1.00 0.56 O ATOM 870 CB GLU A 114 116.327 14.467 -3.609 1.00 0.72 C ATOM 871 CG GLU A 114 116.829 15.825 -3.110 1.00 1.29 C ATOM 872 CD GLU A 114 118.068 16.234 -3.905 1.00 1.92 C ATOM 873 OE1 GLU A 114 118.508 15.446 -4.726 1.00 2.57 O ATOM 874 OE2 GLU A 114 118.559 17.328 -3.679 1.00 2.49 O ATOM 0 HA GLU A 114 115.254 14.288 -1.746 1.00 0.63 H new ATOM 0 HB2 GLU A 114 117.116 13.720 -3.516 1.00 0.72 H new ATOM 0 HB3 GLU A 114 116.070 14.530 -4.667 1.00 0.72 H new ATOM 0 HG2 GLU A 114 116.048 16.577 -3.222 1.00 1.29 H new ATOM 0 HG3 GLU A 114 117.068 15.769 -2.048 1.00 1.29 H new ATOM 881 N LEU A 115 112.872 14.070 -3.795 1.00 0.55 N ATOM 882 CA LEU A 115 111.635 14.749 -4.278 1.00 0.54 C ATOM 883 C LEU A 115 110.808 15.199 -3.071 1.00 0.51 C ATOM 884 O LEU A 115 110.767 14.550 -2.044 1.00 0.57 O ATOM 885 CB LEU A 115 110.795 13.787 -5.121 1.00 0.59 C ATOM 886 CG LEU A 115 111.661 13.110 -6.197 1.00 0.69 C ATOM 887 CD1 LEU A 115 110.831 12.009 -6.876 1.00 0.75 C ATOM 888 CD2 LEU A 115 112.125 14.145 -7.251 1.00 0.69 C ATOM 0 HA LEU A 115 111.917 15.607 -4.888 1.00 0.54 H new ATOM 0 HB2 LEU A 115 110.346 13.029 -4.479 1.00 0.59 H new ATOM 0 HB3 LEU A 115 109.976 14.330 -5.594 1.00 0.59 H new ATOM 0 HG LEU A 115 112.546 12.678 -5.731 1.00 0.69 H new ATOM 0 HD11 LEU A 115 111.433 11.520 -7.642 1.00 0.75 H new ATOM 0 HD12 LEU A 115 110.523 11.274 -6.132 1.00 0.75 H new ATOM 0 HD13 LEU A 115 109.947 12.451 -7.336 1.00 0.75 H new ATOM 0 HD21 LEU A 115 112.736 13.648 -8.004 1.00 0.69 H new ATOM 0 HD22 LEU A 115 111.254 14.593 -7.729 1.00 0.69 H new ATOM 0 HD23 LEU A 115 112.712 14.923 -6.763 1.00 0.69 H new ATOM 900 N THR A 116 110.154 16.320 -3.204 1.00 0.48 N ATOM 901 CA THR A 116 109.326 16.846 -2.084 1.00 0.48 C ATOM 902 C THR A 116 107.980 16.120 -2.057 1.00 0.49 C ATOM 903 O THR A 116 107.491 15.660 -3.070 1.00 0.50 O ATOM 904 CB THR A 116 109.098 18.350 -2.279 1.00 0.49 C ATOM 905 OG1 THR A 116 110.336 18.977 -2.578 1.00 0.50 O ATOM 906 CG2 THR A 116 108.518 18.960 -0.998 1.00 0.51 C ATOM 0 H THR A 116 110.158 16.897 -4.045 1.00 0.48 H new ATOM 0 HA THR A 116 109.844 16.679 -1.140 1.00 0.48 H new ATOM 0 HB THR A 116 108.397 18.504 -3.100 1.00 0.49 H new ATOM 0 HG1 THR A 116 110.194 19.938 -2.705 1.00 0.50 H new ATOM 0 HG21 THR A 116 108.359 20.028 -1.144 1.00 0.51 H new ATOM 0 HG22 THR A 116 107.568 18.480 -0.764 1.00 0.51 H new ATOM 0 HG23 THR A 116 109.215 18.806 -0.174 1.00 0.51 H new ATOM 914 N ASN A 117 107.377 16.008 -0.904 1.00 0.51 N ATOM 915 CA ASN A 117 106.065 15.310 -0.801 1.00 0.54 C ATOM 916 C ASN A 117 105.154 15.756 -1.952 1.00 0.51 C ATOM 917 O ASN A 117 104.423 14.971 -2.517 1.00 0.50 O ATOM 918 CB ASN A 117 105.410 15.676 0.532 1.00 0.62 C ATOM 919 CG ASN A 117 106.449 15.602 1.651 1.00 1.50 C ATOM 920 OD1 ASN A 117 107.554 16.085 1.502 1.00 2.26 O ATOM 921 ND2 ASN A 117 106.140 15.017 2.775 1.00 2.21 N ATOM 0 HA ASN A 117 106.218 14.232 -0.857 1.00 0.54 H new ATOM 0 HB2 ASN A 117 104.989 16.680 0.478 1.00 0.62 H new ATOM 0 HB3 ASN A 117 104.585 14.995 0.742 1.00 0.62 H new ATOM 0 HD21 ASN A 117 106.826 14.965 3.528 1.00 2.21 H new ATOM 0 HD22 ASN A 117 105.213 14.611 2.901 1.00 2.21 H new ATOM 928 N GLU A 118 105.205 17.013 -2.301 1.00 0.50 N ATOM 929 CA GLU A 118 104.346 17.514 -3.413 1.00 0.49 C ATOM 930 C GLU A 118 104.818 16.930 -4.747 1.00 0.44 C ATOM 931 O GLU A 118 104.040 16.392 -5.507 1.00 0.44 O ATOM 932 CB GLU A 118 104.441 19.039 -3.470 1.00 0.54 C ATOM 933 CG GLU A 118 103.854 19.636 -2.189 1.00 1.27 C ATOM 934 CD GLU A 118 103.869 21.163 -2.281 1.00 1.78 C ATOM 935 OE1 GLU A 118 104.458 21.674 -3.219 1.00 2.41 O ATOM 936 OE2 GLU A 118 103.294 21.795 -1.411 1.00 2.35 O ATOM 0 H GLU A 118 105.804 17.714 -1.865 1.00 0.50 H new ATOM 0 HA GLU A 118 103.315 17.209 -3.235 1.00 0.49 H new ATOM 0 HB2 GLU A 118 105.481 19.345 -3.583 1.00 0.54 H new ATOM 0 HB3 GLU A 118 103.902 19.415 -4.339 1.00 0.54 H new ATOM 0 HG2 GLU A 118 102.834 19.280 -2.044 1.00 1.27 H new ATOM 0 HG3 GLU A 118 104.432 19.308 -1.325 1.00 1.27 H new ATOM 943 N ASP A 119 106.085 17.037 -5.041 1.00 0.43 N ATOM 944 CA ASP A 119 106.603 16.494 -6.330 1.00 0.42 C ATOM 945 C ASP A 119 106.437 14.972 -6.381 1.00 0.41 C ATOM 946 O ASP A 119 106.107 14.414 -7.408 1.00 0.41 O ATOM 947 CB ASP A 119 108.084 16.852 -6.478 1.00 0.48 C ATOM 948 CG ASP A 119 108.220 18.332 -6.840 1.00 1.29 C ATOM 949 OD1 ASP A 119 107.302 18.862 -7.444 1.00 2.05 O ATOM 950 OD2 ASP A 119 109.244 18.909 -6.518 1.00 2.02 O ATOM 0 H ASP A 119 106.785 17.477 -4.444 1.00 0.43 H new ATOM 0 HA ASP A 119 106.033 16.935 -7.148 1.00 0.42 H new ATOM 0 HB2 ASP A 119 108.613 16.644 -5.548 1.00 0.48 H new ATOM 0 HB3 ASP A 119 108.542 16.235 -7.250 1.00 0.48 H new ATOM 955 N LEU A 120 106.678 14.294 -5.294 1.00 0.41 N ATOM 956 CA LEU A 120 106.547 12.810 -5.310 1.00 0.42 C ATOM 957 C LEU A 120 105.137 12.420 -5.764 1.00 0.42 C ATOM 958 O LEU A 120 104.955 11.451 -6.477 1.00 0.46 O ATOM 959 CB LEU A 120 106.808 12.256 -3.909 1.00 0.44 C ATOM 960 CG LEU A 120 106.806 10.716 -3.943 1.00 0.46 C ATOM 961 CD1 LEU A 120 108.092 10.211 -4.618 1.00 0.49 C ATOM 962 CD2 LEU A 120 106.712 10.162 -2.505 1.00 0.50 C ATOM 0 HA LEU A 120 107.276 12.392 -6.005 1.00 0.42 H new ATOM 0 HB2 LEU A 120 107.767 12.619 -3.538 1.00 0.44 H new ATOM 0 HB3 LEU A 120 106.044 12.614 -3.219 1.00 0.44 H new ATOM 0 HG LEU A 120 105.944 10.369 -4.514 1.00 0.46 H new ATOM 0 HD11 LEU A 120 108.087 9.121 -4.640 1.00 0.49 H new ATOM 0 HD12 LEU A 120 108.143 10.595 -5.637 1.00 0.49 H new ATOM 0 HD13 LEU A 120 108.959 10.559 -4.056 1.00 0.49 H new ATOM 0 HD21 LEU A 120 106.711 9.072 -2.534 1.00 0.50 H new ATOM 0 HD22 LEU A 120 107.567 10.509 -1.925 1.00 0.50 H new ATOM 0 HD23 LEU A 120 105.791 10.513 -2.039 1.00 0.50 H new ATOM 974 N LEU A 121 104.142 13.159 -5.366 1.00 0.42 N ATOM 975 CA LEU A 121 102.759 12.812 -5.798 1.00 0.44 C ATOM 976 C LEU A 121 102.621 13.136 -7.290 1.00 0.43 C ATOM 977 O LEU A 121 101.974 12.429 -8.035 1.00 0.45 O ATOM 978 CB LEU A 121 101.738 13.618 -4.964 1.00 0.46 C ATOM 979 CG LEU A 121 100.661 12.678 -4.393 1.00 0.77 C ATOM 980 CD1 LEU A 121 99.748 13.467 -3.451 1.00 1.55 C ATOM 981 CD2 LEU A 121 99.836 12.055 -5.541 1.00 1.37 C ATOM 0 H LEU A 121 104.223 13.980 -4.767 1.00 0.42 H new ATOM 0 HA LEU A 121 102.564 11.751 -5.640 1.00 0.44 H new ATOM 0 HB2 LEU A 121 102.248 14.135 -4.151 1.00 0.46 H new ATOM 0 HB3 LEU A 121 101.272 14.383 -5.586 1.00 0.46 H new ATOM 0 HG LEU A 121 101.141 11.873 -3.837 1.00 0.77 H new ATOM 0 HD11 LEU A 121 98.984 12.804 -3.045 1.00 1.55 H new ATOM 0 HD12 LEU A 121 100.339 13.882 -2.635 1.00 1.55 H new ATOM 0 HD13 LEU A 121 99.270 14.277 -4.002 1.00 1.55 H new ATOM 0 HD21 LEU A 121 99.077 11.392 -5.125 1.00 1.37 H new ATOM 0 HD22 LEU A 121 99.352 12.847 -6.113 1.00 1.37 H new ATOM 0 HD23 LEU A 121 100.496 11.486 -6.196 1.00 1.37 H new ATOM 993 N ASP A 122 103.230 14.196 -7.726 1.00 0.42 N ATOM 994 CA ASP A 122 103.135 14.555 -9.167 1.00 0.42 C ATOM 995 C ASP A 122 103.620 13.371 -10.011 1.00 0.41 C ATOM 996 O ASP A 122 103.040 13.045 -11.023 1.00 0.44 O ATOM 997 CB ASP A 122 104.011 15.778 -9.448 1.00 0.44 C ATOM 998 CG ASP A 122 103.757 16.271 -10.873 1.00 0.46 C ATOM 999 OD1 ASP A 122 102.836 17.049 -11.054 1.00 1.13 O ATOM 1000 OD2 ASP A 122 104.489 15.862 -11.759 1.00 1.14 O ATOM 0 H ASP A 122 103.788 14.829 -7.153 1.00 0.42 H new ATOM 0 HA ASP A 122 102.101 14.788 -9.421 1.00 0.42 H new ATOM 0 HB2 ASP A 122 103.789 16.570 -8.733 1.00 0.44 H new ATOM 0 HB3 ASP A 122 105.063 15.522 -9.323 1.00 0.44 H new ATOM 1005 N GLN A 123 104.681 12.725 -9.600 1.00 0.41 N ATOM 1006 CA GLN A 123 105.199 11.563 -10.381 1.00 0.42 C ATOM 1007 C GLN A 123 104.239 10.374 -10.267 1.00 0.42 C ATOM 1008 O GLN A 123 103.963 9.699 -11.235 1.00 0.44 O ATOM 1009 CB GLN A 123 106.573 11.156 -9.844 1.00 0.45 C ATOM 1010 CG GLN A 123 107.572 12.292 -10.079 1.00 1.02 C ATOM 1011 CD GLN A 123 108.949 11.874 -9.562 1.00 1.58 C ATOM 1012 OE1 GLN A 123 109.073 10.904 -8.840 1.00 2.16 O ATOM 1013 NE2 GLN A 123 110.000 12.568 -9.906 1.00 2.34 N ATOM 0 HA GLN A 123 105.282 11.854 -11.428 1.00 0.42 H new ATOM 0 HB2 GLN A 123 106.507 10.931 -8.780 1.00 0.45 H new ATOM 0 HB3 GLN A 123 106.915 10.248 -10.341 1.00 0.45 H new ATOM 0 HG2 GLN A 123 107.627 12.528 -11.142 1.00 1.02 H new ATOM 0 HG3 GLN A 123 107.239 13.195 -9.568 1.00 1.02 H new ATOM 0 HE21 GLN A 123 109.898 13.382 -10.512 1.00 2.34 H new ATOM 0 HE22 GLN A 123 110.923 12.296 -9.569 1.00 2.34 H new ATOM 1022 N LEU A 124 103.726 10.112 -9.094 1.00 0.41 N ATOM 1023 CA LEU A 124 102.788 8.961 -8.943 1.00 0.43 C ATOM 1024 C LEU A 124 101.573 9.169 -9.842 1.00 0.42 C ATOM 1025 O LEU A 124 101.113 8.257 -10.500 1.00 0.45 O ATOM 1026 CB LEU A 124 102.339 8.846 -7.478 1.00 0.45 C ATOM 1027 CG LEU A 124 103.478 8.263 -6.624 1.00 0.51 C ATOM 1028 CD1 LEU A 124 103.298 8.689 -5.163 1.00 0.53 C ATOM 1029 CD2 LEU A 124 103.453 6.728 -6.695 1.00 0.65 C ATOM 0 H LEU A 124 103.913 10.639 -8.241 1.00 0.41 H new ATOM 0 HA LEU A 124 103.296 8.041 -9.233 1.00 0.43 H new ATOM 0 HB2 LEU A 124 102.054 9.827 -7.098 1.00 0.45 H new ATOM 0 HB3 LEU A 124 101.458 8.209 -7.408 1.00 0.45 H new ATOM 0 HG LEU A 124 104.428 8.635 -7.007 1.00 0.51 H new ATOM 0 HD11 LEU A 124 104.106 8.274 -4.561 1.00 0.53 H new ATOM 0 HD12 LEU A 124 103.317 9.777 -5.096 1.00 0.53 H new ATOM 0 HD13 LEU A 124 102.342 8.319 -4.791 1.00 0.53 H new ATOM 0 HD21 LEU A 124 104.262 6.322 -6.088 1.00 0.65 H new ATOM 0 HD22 LEU A 124 102.498 6.362 -6.318 1.00 0.65 H new ATOM 0 HD23 LEU A 124 103.581 6.409 -7.730 1.00 0.65 H new ATOM 1041 N VAL A 125 101.043 10.359 -9.877 1.00 0.39 N ATOM 1042 CA VAL A 125 99.860 10.612 -10.739 1.00 0.41 C ATOM 1043 C VAL A 125 100.225 10.373 -12.205 1.00 0.43 C ATOM 1044 O VAL A 125 99.431 9.877 -12.981 1.00 0.47 O ATOM 1045 CB VAL A 125 99.388 12.063 -10.554 1.00 0.41 C ATOM 1046 CG1 VAL A 125 98.275 12.371 -11.569 1.00 0.45 C ATOM 1047 CG2 VAL A 125 98.864 12.270 -9.111 1.00 0.42 C ATOM 0 H VAL A 125 101.378 11.164 -9.347 1.00 0.39 H new ATOM 0 HA VAL A 125 99.058 9.931 -10.455 1.00 0.41 H new ATOM 0 HB VAL A 125 100.226 12.740 -10.722 1.00 0.41 H new ATOM 0 HG11 VAL A 125 97.939 13.400 -11.439 1.00 0.45 H new ATOM 0 HG12 VAL A 125 98.659 12.239 -12.581 1.00 0.45 H new ATOM 0 HG13 VAL A 125 97.437 11.693 -11.407 1.00 0.45 H new ATOM 0 HG21 VAL A 125 98.532 13.301 -8.989 1.00 0.42 H new ATOM 0 HG22 VAL A 125 98.028 11.595 -8.927 1.00 0.42 H new ATOM 0 HG23 VAL A 125 99.663 12.060 -8.400 1.00 0.42 H new ATOM 1057 N LYS A 126 101.419 10.730 -12.591 1.00 0.41 N ATOM 1058 CA LYS A 126 101.838 10.527 -14.008 1.00 0.44 C ATOM 1059 C LYS A 126 101.728 9.048 -14.394 1.00 0.49 C ATOM 1060 O LYS A 126 101.418 8.723 -15.523 1.00 0.55 O ATOM 1061 CB LYS A 126 103.280 10.994 -14.191 1.00 0.43 C ATOM 1062 CG LYS A 126 103.324 12.522 -14.236 1.00 1.19 C ATOM 1063 CD LYS A 126 104.763 12.991 -14.487 1.00 1.50 C ATOM 1064 CE LYS A 126 104.755 14.380 -15.143 1.00 2.05 C ATOM 1065 NZ LYS A 126 105.977 15.126 -14.743 1.00 2.71 N ATOM 0 HA LYS A 126 101.179 11.109 -14.652 1.00 0.44 H new ATOM 0 HB2 LYS A 126 103.898 10.627 -13.372 1.00 0.43 H new ATOM 0 HB3 LYS A 126 103.692 10.581 -15.112 1.00 0.43 H new ATOM 0 HG2 LYS A 126 102.668 12.891 -15.025 1.00 1.19 H new ATOM 0 HG3 LYS A 126 102.956 12.934 -13.296 1.00 1.19 H new ATOM 0 HD2 LYS A 126 105.312 13.027 -13.546 1.00 1.50 H new ATOM 0 HD3 LYS A 126 105.280 12.279 -15.130 1.00 1.50 H new ATOM 0 HE2 LYS A 126 104.716 14.281 -16.228 1.00 2.05 H new ATOM 0 HE3 LYS A 126 103.865 14.931 -14.841 1.00 2.05 H new ATOM 0 HZ1 LYS A 126 105.971 16.066 -15.188 1.00 2.71 H new ATOM 0 HZ2 LYS A 126 105.996 15.232 -13.709 1.00 2.71 H new ATOM 0 HZ3 LYS A 126 106.820 14.602 -15.053 1.00 2.71 H new ATOM 1079 N TYR A 127 101.973 8.148 -13.481 1.00 0.49 N ATOM 1080 CA TYR A 127 101.869 6.698 -13.827 1.00 0.55 C ATOM 1081 C TYR A 127 100.401 6.271 -13.834 1.00 0.58 C ATOM 1082 O TYR A 127 100.084 5.113 -14.025 1.00 0.64 O ATOM 1083 CB TYR A 127 102.637 5.864 -12.798 1.00 0.56 C ATOM 1084 CG TYR A 127 104.120 6.069 -12.987 1.00 0.57 C ATOM 1085 CD1 TYR A 127 104.796 5.389 -14.008 1.00 0.64 C ATOM 1086 CD2 TYR A 127 104.821 6.941 -12.146 1.00 0.73 C ATOM 1087 CE1 TYR A 127 106.171 5.579 -14.186 1.00 0.70 C ATOM 1088 CE2 TYR A 127 106.195 7.132 -12.324 1.00 0.79 C ATOM 1089 CZ TYR A 127 106.871 6.451 -13.343 1.00 0.70 C ATOM 1090 OH TYR A 127 108.226 6.639 -13.518 1.00 0.80 O ATOM 0 H TYR A 127 102.239 8.350 -12.517 1.00 0.49 H new ATOM 0 HA TYR A 127 102.297 6.537 -14.816 1.00 0.55 H new ATOM 0 HB2 TYR A 127 102.345 6.154 -11.789 1.00 0.56 H new ATOM 0 HB3 TYR A 127 102.388 4.809 -12.911 1.00 0.56 H new ATOM 0 HD1 TYR A 127 104.256 4.717 -14.659 1.00 0.64 H new ATOM 0 HD2 TYR A 127 104.301 7.467 -11.359 1.00 0.73 H new ATOM 0 HE1 TYR A 127 106.692 5.054 -14.973 1.00 0.70 H new ATOM 0 HE2 TYR A 127 106.735 7.805 -11.675 1.00 0.79 H new ATOM 1100 N GLY A 128 99.496 7.195 -13.642 1.00 0.57 N ATOM 1101 CA GLY A 128 98.049 6.837 -13.654 1.00 0.63 C ATOM 1102 C GLY A 128 97.645 6.260 -12.303 1.00 0.58 C ATOM 1103 O GLY A 128 96.632 5.599 -12.178 1.00 0.62 O ATOM 0 HA2 GLY A 128 97.449 7.720 -13.876 1.00 0.63 H new ATOM 0 HA3 GLY A 128 97.852 6.111 -14.443 1.00 0.63 H new ATOM 1107 N VAL A 129 98.425 6.502 -11.283 1.00 0.52 N ATOM 1108 CA VAL A 129 98.080 5.966 -9.937 1.00 0.53 C ATOM 1109 C VAL A 129 97.521 7.099 -9.080 1.00 0.54 C ATOM 1110 O VAL A 129 98.103 8.163 -8.987 1.00 0.59 O ATOM 1111 CB VAL A 129 99.340 5.397 -9.275 1.00 0.54 C ATOM 1112 CG1 VAL A 129 98.957 4.617 -8.009 1.00 0.61 C ATOM 1113 CG2 VAL A 129 100.051 4.462 -10.259 1.00 0.58 C ATOM 0 H VAL A 129 99.286 7.048 -11.325 1.00 0.52 H new ATOM 0 HA VAL A 129 97.336 5.175 -10.034 1.00 0.53 H new ATOM 0 HB VAL A 129 100.006 6.216 -9.001 1.00 0.54 H new ATOM 0 HG11 VAL A 129 99.857 4.215 -7.543 1.00 0.61 H new ATOM 0 HG12 VAL A 129 98.453 5.284 -7.309 1.00 0.61 H new ATOM 0 HG13 VAL A 129 98.289 3.798 -8.275 1.00 0.61 H new ATOM 0 HG21 VAL A 129 100.948 4.055 -9.791 1.00 0.58 H new ATOM 0 HG22 VAL A 129 99.383 3.646 -10.533 1.00 0.58 H new ATOM 0 HG23 VAL A 129 100.329 5.019 -11.154 1.00 0.58 H new ATOM 1123 N ASN A 130 96.396 6.887 -8.447 1.00 0.58 N ATOM 1124 CA ASN A 130 95.798 7.958 -7.595 1.00 0.68 C ATOM 1125 C ASN A 130 95.293 7.336 -6.287 1.00 0.73 C ATOM 1126 O ASN A 130 94.118 7.065 -6.132 1.00 0.88 O ATOM 1127 CB ASN A 130 94.635 8.617 -8.347 1.00 0.84 C ATOM 1128 CG ASN A 130 94.477 10.069 -7.882 1.00 1.73 C ATOM 1129 OD1 ASN A 130 94.454 10.339 -6.698 1.00 2.58 O ATOM 1130 ND2 ASN A 130 94.377 11.016 -8.772 1.00 2.36 N ATOM 0 H ASN A 130 95.865 6.017 -8.484 1.00 0.58 H new ATOM 0 HA ASN A 130 96.549 8.715 -7.368 1.00 0.68 H new ATOM 0 HB2 ASN A 130 94.820 8.587 -9.421 1.00 0.84 H new ATOM 0 HB3 ASN A 130 93.713 8.065 -8.167 1.00 0.84 H new ATOM 0 HD21 ASN A 130 94.279 11.987 -8.475 1.00 2.36 H new ATOM 0 HD22 ASN A 130 94.397 10.786 -9.766 1.00 2.36 H new ATOM 1137 N PRO A 131 96.179 7.107 -5.361 1.00 0.76 N ATOM 1138 CA PRO A 131 95.842 6.500 -4.048 1.00 0.93 C ATOM 1139 C PRO A 131 95.411 7.560 -3.028 1.00 0.93 C ATOM 1140 O PRO A 131 94.846 8.576 -3.380 1.00 1.17 O ATOM 1141 CB PRO A 131 97.162 5.838 -3.651 1.00 1.15 C ATOM 1142 CG PRO A 131 98.225 6.720 -4.228 1.00 1.07 C ATOM 1143 CD PRO A 131 97.618 7.401 -5.458 1.00 0.85 C ATOM 0 HA PRO A 131 95.002 5.807 -4.091 1.00 0.93 H new ATOM 0 HB2 PRO A 131 97.256 5.763 -2.568 1.00 1.15 H new ATOM 0 HB3 PRO A 131 97.231 4.825 -4.048 1.00 1.15 H new ATOM 0 HG2 PRO A 131 98.551 7.461 -3.498 1.00 1.07 H new ATOM 0 HG3 PRO A 131 99.103 6.137 -4.504 1.00 1.07 H new ATOM 0 HD2 PRO A 131 97.806 8.475 -5.452 1.00 0.85 H new ATOM 0 HD3 PRO A 131 98.043 7.008 -6.381 1.00 0.85 H new ATOM 1151 N GLY A 132 95.675 7.349 -1.762 1.00 1.57 N ATOM 1152 CA GLY A 132 95.285 8.359 -0.742 1.00 1.77 C ATOM 1153 C GLY A 132 96.468 9.300 -0.500 1.00 1.45 C ATOM 1154 O GLY A 132 97.606 8.946 -0.737 1.00 1.59 O ATOM 0 H GLY A 132 96.143 6.520 -1.395 1.00 1.57 H new ATOM 0 HA2 GLY A 132 94.417 8.924 -1.083 1.00 1.77 H new ATOM 0 HA3 GLY A 132 94.999 7.866 0.187 1.00 1.77 H new ATOM 1158 N PRO A 133 96.203 10.492 -0.039 1.00 1.23 N ATOM 1159 CA PRO A 133 97.271 11.498 0.228 1.00 1.17 C ATOM 1160 C PRO A 133 98.302 10.992 1.242 1.00 0.84 C ATOM 1161 O PRO A 133 97.995 10.796 2.402 1.00 0.97 O ATOM 1162 CB PRO A 133 96.512 12.722 0.775 1.00 1.41 C ATOM 1163 CG PRO A 133 95.152 12.225 1.155 1.00 1.57 C ATOM 1164 CD PRO A 133 94.868 11.012 0.280 1.00 1.39 C ATOM 0 HA PRO A 133 97.846 11.724 -0.670 1.00 1.17 H new ATOM 0 HB2 PRO A 133 97.027 13.148 1.636 1.00 1.41 H new ATOM 0 HB3 PRO A 133 96.445 13.508 0.023 1.00 1.41 H new ATOM 0 HG2 PRO A 133 95.119 11.956 2.211 1.00 1.57 H new ATOM 0 HG3 PRO A 133 94.400 12.999 1.000 1.00 1.57 H new ATOM 0 HD2 PRO A 133 94.265 10.272 0.806 1.00 1.39 H new ATOM 0 HD3 PRO A 133 94.320 11.288 -0.621 1.00 1.39 H new ATOM 1172 N ILE A 134 99.515 10.770 0.799 1.00 0.96 N ATOM 1173 CA ILE A 134 100.585 10.260 1.711 1.00 0.72 C ATOM 1174 C ILE A 134 100.405 10.809 3.133 1.00 0.67 C ATOM 1175 O ILE A 134 100.525 11.992 3.371 1.00 0.76 O ATOM 1176 CB ILE A 134 101.949 10.693 1.169 1.00 0.78 C ATOM 1177 CG1 ILE A 134 101.875 12.141 0.671 1.00 1.05 C ATOM 1178 CG2 ILE A 134 102.351 9.781 0.005 1.00 0.83 C ATOM 1179 CD1 ILE A 134 103.284 12.636 0.337 1.00 1.16 C ATOM 0 H ILE A 134 99.812 10.922 -0.165 1.00 0.96 H new ATOM 0 HA ILE A 134 100.520 9.173 1.753 1.00 0.72 H new ATOM 0 HB ILE A 134 102.689 10.620 1.966 1.00 0.78 H new ATOM 0 HG12 ILE A 134 101.238 12.202 -0.211 1.00 1.05 H new ATOM 0 HG13 ILE A 134 101.425 12.777 1.434 1.00 1.05 H new ATOM 0 HG21 ILE A 134 103.323 10.090 -0.381 1.00 0.83 H new ATOM 0 HG22 ILE A 134 102.410 8.750 0.354 1.00 0.83 H new ATOM 0 HG23 ILE A 134 101.606 9.853 -0.788 1.00 0.83 H new ATOM 0 HD11 ILE A 134 103.233 13.666 -0.017 1.00 1.16 H new ATOM 0 HD12 ILE A 134 103.907 12.590 1.230 1.00 1.16 H new ATOM 0 HD13 ILE A 134 103.716 12.006 -0.440 1.00 1.16 H new ATOM 1191 N VAL A 135 100.106 9.959 4.075 1.00 0.61 N ATOM 1192 CA VAL A 135 99.918 10.446 5.471 1.00 0.67 C ATOM 1193 C VAL A 135 101.278 10.740 6.099 1.00 0.74 C ATOM 1194 O VAL A 135 101.701 11.875 6.187 1.00 1.50 O ATOM 1195 CB VAL A 135 99.202 9.374 6.299 1.00 0.67 C ATOM 1196 CG1 VAL A 135 99.003 9.891 7.729 1.00 0.81 C ATOM 1197 CG2 VAL A 135 97.838 9.060 5.671 1.00 0.85 C ATOM 0 H VAL A 135 99.984 8.955 3.941 1.00 0.61 H new ATOM 0 HA VAL A 135 99.318 11.356 5.454 1.00 0.67 H new ATOM 0 HB VAL A 135 99.804 8.466 6.318 1.00 0.67 H new ATOM 0 HG11 VAL A 135 98.494 9.132 8.323 1.00 0.81 H new ATOM 0 HG12 VAL A 135 99.973 10.110 8.175 1.00 0.81 H new ATOM 0 HG13 VAL A 135 98.400 10.799 7.707 1.00 0.81 H new ATOM 0 HG21 VAL A 135 97.332 8.297 6.263 1.00 0.85 H new ATOM 0 HG22 VAL A 135 97.230 9.965 5.649 1.00 0.85 H new ATOM 0 HG23 VAL A 135 97.981 8.695 4.654 1.00 0.85 H new ATOM 1207 N GLY A 136 101.967 9.722 6.538 1.00 0.72 N ATOM 1208 CA GLY A 136 103.303 9.938 7.162 1.00 0.63 C ATOM 1209 C GLY A 136 103.948 8.587 7.463 1.00 0.70 C ATOM 1210 O GLY A 136 105.102 8.510 7.841 1.00 1.37 O ATOM 0 H GLY A 136 101.662 8.750 6.491 1.00 0.72 H new ATOM 0 HA2 GLY A 136 103.940 10.516 6.492 1.00 0.63 H new ATOM 0 HA3 GLY A 136 103.198 10.516 8.080 1.00 0.63 H new ATOM 1214 N THR A 137 103.213 7.514 7.299 1.00 0.55 N ATOM 1215 CA THR A 137 103.779 6.158 7.574 1.00 0.57 C ATOM 1216 C THR A 137 103.604 5.273 6.341 1.00 0.50 C ATOM 1217 O THR A 137 104.187 4.212 6.237 1.00 0.49 O ATOM 1218 CB THR A 137 103.031 5.528 8.749 1.00 0.77 C ATOM 1219 OG1 THR A 137 103.674 4.315 9.117 1.00 0.98 O ATOM 1220 CG2 THR A 137 101.585 5.240 8.338 1.00 0.90 C ATOM 0 H THR A 137 102.242 7.520 6.985 1.00 0.55 H new ATOM 0 HA THR A 137 104.838 6.249 7.814 1.00 0.57 H new ATOM 0 HB THR A 137 103.034 6.213 9.596 1.00 0.77 H new ATOM 0 HG1 THR A 137 102.999 3.650 9.366 1.00 0.98 H new ATOM 0 HG21 THR A 137 101.051 4.791 9.176 1.00 0.90 H new ATOM 0 HG22 THR A 137 101.095 6.171 8.053 1.00 0.90 H new ATOM 0 HG23 THR A 137 101.577 4.553 7.492 1.00 0.90 H new ATOM 1228 N THR A 138 102.797 5.691 5.409 1.00 0.48 N ATOM 1229 CA THR A 138 102.576 4.871 4.181 1.00 0.46 C ATOM 1230 C THR A 138 103.450 5.431 3.067 1.00 0.44 C ATOM 1231 O THR A 138 103.604 4.838 2.017 1.00 0.42 O ATOM 1232 CB THR A 138 101.102 4.960 3.763 1.00 0.52 C ATOM 1233 OG1 THR A 138 100.931 4.293 2.523 1.00 0.53 O ATOM 1234 CG2 THR A 138 100.672 6.428 3.617 1.00 0.56 C ATOM 0 HA THR A 138 102.831 3.829 4.375 1.00 0.46 H new ATOM 0 HB THR A 138 100.486 4.490 4.530 1.00 0.52 H new ATOM 0 HG1 THR A 138 101.193 4.890 1.791 1.00 0.53 H new ATOM 0 HG21 THR A 138 99.624 6.472 3.320 1.00 0.56 H new ATOM 0 HG22 THR A 138 100.801 6.941 4.570 1.00 0.56 H new ATOM 0 HG23 THR A 138 101.285 6.913 2.857 1.00 0.56 H new ATOM 1242 N ARG A 139 104.014 6.580 3.295 1.00 0.48 N ATOM 1243 CA ARG A 139 104.878 7.217 2.268 1.00 0.48 C ATOM 1244 C ARG A 139 105.995 6.260 1.854 1.00 0.44 C ATOM 1245 O ARG A 139 106.337 6.165 0.695 1.00 0.43 O ATOM 1246 CB ARG A 139 105.483 8.488 2.861 1.00 0.55 C ATOM 1247 CG ARG A 139 106.240 9.260 1.781 1.00 1.45 C ATOM 1248 CD ARG A 139 106.853 10.517 2.401 1.00 1.53 C ATOM 1249 NE ARG A 139 107.551 11.303 1.347 1.00 2.19 N ATOM 1250 CZ ARG A 139 107.890 12.541 1.577 1.00 2.82 C ATOM 1251 NH1 ARG A 139 107.606 13.091 2.724 1.00 3.04 N ATOM 1252 NH2 ARG A 139 108.511 13.228 0.658 1.00 3.77 N ATOM 0 HA ARG A 139 104.284 7.460 1.387 1.00 0.48 H new ATOM 0 HB2 ARG A 139 104.696 9.113 3.282 1.00 0.55 H new ATOM 0 HB3 ARG A 139 106.158 8.232 3.678 1.00 0.55 H new ATOM 0 HG2 ARG A 139 107.021 8.634 1.349 1.00 1.45 H new ATOM 0 HG3 ARG A 139 105.565 9.532 0.970 1.00 1.45 H new ATOM 0 HD2 ARG A 139 106.075 11.123 2.865 1.00 1.53 H new ATOM 0 HD3 ARG A 139 107.555 10.242 3.188 1.00 1.53 H new ATOM 0 HE ARG A 139 107.764 10.874 0.446 1.00 2.19 H new ATOM 0 HH11 ARG A 139 107.119 12.553 3.441 1.00 3.04 H new ATOM 0 HH12 ARG A 139 107.871 14.059 2.905 1.00 3.04 H new ATOM 0 HH21 ARG A 139 108.731 12.797 -0.240 1.00 3.77 H new ATOM 0 HH22 ARG A 139 108.776 14.196 0.837 1.00 3.77 H new ATOM 1266 N LYS A 140 106.565 5.543 2.783 1.00 0.44 N ATOM 1267 CA LYS A 140 107.659 4.598 2.410 1.00 0.45 C ATOM 1268 C LYS A 140 107.118 3.519 1.470 1.00 0.40 C ATOM 1269 O LYS A 140 107.800 3.082 0.563 1.00 0.42 O ATOM 1270 CB LYS A 140 108.240 3.949 3.663 1.00 0.48 C ATOM 1271 CG LYS A 140 109.100 4.972 4.416 1.00 1.48 C ATOM 1272 CD LYS A 140 109.840 4.284 5.579 1.00 1.69 C ATOM 1273 CE LYS A 140 109.005 4.367 6.865 1.00 2.30 C ATOM 1274 NZ LYS A 140 109.405 5.581 7.632 1.00 2.99 N ATOM 0 H LYS A 140 106.325 5.568 3.774 1.00 0.44 H new ATOM 0 HA LYS A 140 108.447 5.153 1.901 1.00 0.45 H new ATOM 0 HB2 LYS A 140 107.436 3.590 4.306 1.00 0.48 H new ATOM 0 HB3 LYS A 140 108.842 3.082 3.391 1.00 0.48 H new ATOM 0 HG2 LYS A 140 109.819 5.426 3.735 1.00 1.48 H new ATOM 0 HG3 LYS A 140 108.472 5.776 4.799 1.00 1.48 H new ATOM 0 HD2 LYS A 140 110.033 3.241 5.330 1.00 1.69 H new ATOM 0 HD3 LYS A 140 110.808 4.759 5.735 1.00 1.69 H new ATOM 0 HE2 LYS A 140 107.943 4.410 6.621 1.00 2.30 H new ATOM 0 HE3 LYS A 140 109.158 3.473 7.470 1.00 2.30 H new ATOM 0 HZ1 LYS A 140 108.842 5.642 8.504 1.00 2.99 H new ATOM 0 HZ2 LYS A 140 110.414 5.521 7.875 1.00 2.99 H new ATOM 0 HZ3 LYS A 140 109.238 6.428 7.053 1.00 2.99 H new ATOM 1288 N LEU A 141 105.908 3.078 1.672 1.00 0.36 N ATOM 1289 CA LEU A 141 105.353 2.029 0.777 1.00 0.35 C ATOM 1290 C LEU A 141 105.265 2.571 -0.652 1.00 0.37 C ATOM 1291 O LEU A 141 105.632 1.909 -1.603 1.00 0.40 O ATOM 1292 CB LEU A 141 103.948 1.642 1.257 1.00 0.35 C ATOM 1293 CG LEU A 141 103.431 0.443 0.446 1.00 0.37 C ATOM 1294 CD1 LEU A 141 103.979 -0.873 1.031 1.00 1.02 C ATOM 1295 CD2 LEU A 141 101.896 0.427 0.484 1.00 1.08 C ATOM 0 H LEU A 141 105.284 3.397 2.413 1.00 0.36 H new ATOM 0 HA LEU A 141 106.003 1.154 0.797 1.00 0.35 H new ATOM 0 HB2 LEU A 141 103.972 1.392 2.318 1.00 0.35 H new ATOM 0 HB3 LEU A 141 103.270 2.488 1.145 1.00 0.35 H new ATOM 0 HG LEU A 141 103.771 0.536 -0.585 1.00 0.37 H new ATOM 0 HD11 LEU A 141 103.605 -1.714 0.447 1.00 1.02 H new ATOM 0 HD12 LEU A 141 105.068 -0.862 0.995 1.00 1.02 H new ATOM 0 HD13 LEU A 141 103.652 -0.975 2.066 1.00 1.02 H new ATOM 0 HD21 LEU A 141 101.527 -0.422 -0.091 1.00 1.08 H new ATOM 0 HD22 LEU A 141 101.558 0.341 1.517 1.00 1.08 H new ATOM 0 HD23 LEU A 141 101.512 1.351 0.053 1.00 1.08 H new ATOM 1307 N TYR A 142 104.773 3.768 -0.806 1.00 0.38 N ATOM 1308 CA TYR A 142 104.656 4.354 -2.169 1.00 0.42 C ATOM 1309 C TYR A 142 106.049 4.579 -2.759 1.00 0.43 C ATOM 1310 O TYR A 142 106.266 4.391 -3.940 1.00 0.45 O ATOM 1311 CB TYR A 142 103.899 5.681 -2.098 1.00 0.47 C ATOM 1312 CG TYR A 142 102.444 5.405 -1.797 1.00 0.49 C ATOM 1313 CD1 TYR A 142 101.610 4.904 -2.805 1.00 0.56 C ATOM 1314 CD2 TYR A 142 101.930 5.641 -0.515 1.00 0.49 C ATOM 1315 CE1 TYR A 142 100.263 4.640 -2.531 1.00 0.61 C ATOM 1316 CE2 TYR A 142 100.582 5.376 -0.244 1.00 0.52 C ATOM 1317 CZ TYR A 142 99.750 4.876 -1.250 1.00 0.57 C ATOM 1318 OH TYR A 142 98.422 4.612 -0.979 1.00 0.64 O ATOM 0 HA TYR A 142 104.107 3.664 -2.810 1.00 0.42 H new ATOM 0 HB2 TYR A 142 104.329 6.318 -1.325 1.00 0.47 H new ATOM 0 HB3 TYR A 142 103.992 6.218 -3.042 1.00 0.47 H new ATOM 0 HD1 TYR A 142 102.006 4.722 -3.793 1.00 0.56 H new ATOM 0 HD2 TYR A 142 102.572 6.027 0.263 1.00 0.49 H new ATOM 0 HE1 TYR A 142 99.619 4.254 -3.308 1.00 0.61 H new ATOM 0 HE2 TYR A 142 100.185 5.558 0.744 1.00 0.52 H new ATOM 0 HH TYR A 142 98.067 5.302 -0.380 1.00 0.64 H new ATOM 1328 N GLU A 143 107.002 4.963 -1.955 1.00 0.43 N ATOM 1329 CA GLU A 143 108.370 5.175 -2.498 1.00 0.46 C ATOM 1330 C GLU A 143 108.905 3.844 -3.023 1.00 0.42 C ATOM 1331 O GLU A 143 109.499 3.782 -4.078 1.00 0.43 O ATOM 1332 CB GLU A 143 109.291 5.705 -1.398 1.00 0.50 C ATOM 1333 CG GLU A 143 108.896 7.141 -1.049 1.00 0.56 C ATOM 1334 CD GLU A 143 109.837 7.684 0.028 1.00 0.96 C ATOM 1335 OE1 GLU A 143 110.636 6.912 0.533 1.00 1.69 O ATOM 1336 OE2 GLU A 143 109.745 8.863 0.327 1.00 1.49 O ATOM 0 H GLU A 143 106.893 5.137 -0.956 1.00 0.43 H new ATOM 0 HA GLU A 143 108.335 5.904 -3.307 1.00 0.46 H new ATOM 0 HB2 GLU A 143 109.220 5.072 -0.513 1.00 0.50 H new ATOM 0 HB3 GLU A 143 110.328 5.673 -1.731 1.00 0.50 H new ATOM 0 HG2 GLU A 143 108.944 7.769 -1.939 1.00 0.56 H new ATOM 0 HG3 GLU A 143 107.866 7.170 -0.694 1.00 0.56 H new ATOM 1343 N LYS A 144 108.684 2.774 -2.305 1.00 0.38 N ATOM 1344 CA LYS A 144 109.168 1.450 -2.785 1.00 0.36 C ATOM 1345 C LYS A 144 108.377 1.046 -4.028 1.00 0.35 C ATOM 1346 O LYS A 144 108.930 0.603 -5.016 1.00 0.35 O ATOM 1347 CB LYS A 144 108.968 0.399 -1.690 1.00 0.36 C ATOM 1348 CG LYS A 144 109.596 -0.918 -2.141 1.00 1.15 C ATOM 1349 CD LYS A 144 109.380 -1.990 -1.068 1.00 1.51 C ATOM 1350 CE LYS A 144 110.061 -3.294 -1.501 1.00 2.11 C ATOM 1351 NZ LYS A 144 110.442 -4.081 -0.293 1.00 2.82 N ATOM 0 H LYS A 144 108.192 2.761 -1.412 1.00 0.38 H new ATOM 0 HA LYS A 144 110.228 1.517 -3.029 1.00 0.36 H new ATOM 0 HB2 LYS A 144 109.425 0.734 -0.759 1.00 0.36 H new ATOM 0 HB3 LYS A 144 107.905 0.260 -1.491 1.00 0.36 H new ATOM 0 HG2 LYS A 144 109.152 -1.239 -3.083 1.00 1.15 H new ATOM 0 HG3 LYS A 144 110.662 -0.780 -2.321 1.00 1.15 H new ATOM 0 HD2 LYS A 144 109.789 -1.653 -0.115 1.00 1.51 H new ATOM 0 HD3 LYS A 144 108.314 -2.158 -0.916 1.00 1.51 H new ATOM 0 HE2 LYS A 144 109.388 -3.877 -2.130 1.00 2.11 H new ATOM 0 HE3 LYS A 144 110.946 -3.074 -2.099 1.00 2.11 H new ATOM 0 HZ1 LYS A 144 110.904 -4.965 -0.586 1.00 2.82 H new ATOM 0 HZ2 LYS A 144 111.099 -3.525 0.291 1.00 2.82 H new ATOM 0 HZ3 LYS A 144 109.590 -4.303 0.260 1.00 2.82 H new ATOM 1365 N LYS A 145 107.081 1.186 -3.978 1.00 0.35 N ATOM 1366 CA LYS A 145 106.249 0.802 -5.149 1.00 0.36 C ATOM 1367 C LYS A 145 106.694 1.606 -6.370 1.00 0.38 C ATOM 1368 O LYS A 145 106.768 1.093 -7.468 1.00 0.40 O ATOM 1369 CB LYS A 145 104.775 1.110 -4.853 1.00 0.39 C ATOM 1370 CG LYS A 145 103.889 0.320 -5.822 1.00 1.17 C ATOM 1371 CD LYS A 145 102.474 0.910 -5.826 1.00 1.47 C ATOM 1372 CE LYS A 145 101.852 0.801 -4.427 1.00 1.96 C ATOM 1373 NZ LYS A 145 100.397 0.506 -4.556 1.00 2.57 N ATOM 0 HA LYS A 145 106.368 -0.264 -5.345 1.00 0.36 H new ATOM 0 HB2 LYS A 145 104.535 0.844 -3.824 1.00 0.39 H new ATOM 0 HB3 LYS A 145 104.586 2.178 -4.958 1.00 0.39 H new ATOM 0 HG2 LYS A 145 104.311 0.355 -6.826 1.00 1.17 H new ATOM 0 HG3 LYS A 145 103.855 -0.729 -5.527 1.00 1.17 H new ATOM 0 HD2 LYS A 145 102.508 1.954 -6.137 1.00 1.47 H new ATOM 0 HD3 LYS A 145 101.854 0.382 -6.550 1.00 1.47 H new ATOM 0 HE2 LYS A 145 102.345 0.013 -3.858 1.00 1.96 H new ATOM 0 HE3 LYS A 145 101.999 1.731 -3.878 1.00 1.96 H new ATOM 0 HZ1 LYS A 145 99.997 0.314 -3.615 1.00 2.57 H new ATOM 0 HZ2 LYS A 145 99.913 1.324 -4.978 1.00 2.57 H new ATOM 0 HZ3 LYS A 145 100.264 -0.327 -5.165 1.00 2.57 H new ATOM 1387 N LEU A 146 106.983 2.870 -6.191 1.00 0.38 N ATOM 1388 CA LEU A 146 107.412 3.701 -7.346 1.00 0.41 C ATOM 1389 C LEU A 146 108.618 3.042 -8.015 1.00 0.38 C ATOM 1390 O LEU A 146 108.729 3.014 -9.226 1.00 0.39 O ATOM 1391 CB LEU A 146 107.799 5.094 -6.851 1.00 0.45 C ATOM 1392 CG LEU A 146 108.134 6.001 -8.048 1.00 0.93 C ATOM 1393 CD1 LEU A 146 106.852 6.324 -8.829 1.00 1.43 C ATOM 1394 CD2 LEU A 146 108.778 7.311 -7.552 1.00 1.88 C ATOM 0 HA LEU A 146 106.596 3.786 -8.064 1.00 0.41 H new ATOM 0 HB2 LEU A 146 106.980 5.525 -6.275 1.00 0.45 H new ATOM 0 HB3 LEU A 146 108.658 5.027 -6.183 1.00 0.45 H new ATOM 0 HG LEU A 146 108.835 5.481 -8.701 1.00 0.93 H new ATOM 0 HD11 LEU A 146 107.094 6.966 -9.676 1.00 1.43 H new ATOM 0 HD12 LEU A 146 106.404 5.399 -9.192 1.00 1.43 H new ATOM 0 HD13 LEU A 146 106.147 6.836 -8.175 1.00 1.43 H new ATOM 0 HD21 LEU A 146 109.012 7.947 -8.405 1.00 1.88 H new ATOM 0 HD22 LEU A 146 108.084 7.831 -6.892 1.00 1.88 H new ATOM 0 HD23 LEU A 146 109.694 7.083 -7.008 1.00 1.88 H new ATOM 1406 N LEU A 147 109.518 2.505 -7.239 1.00 0.38 N ATOM 1407 CA LEU A 147 110.704 1.842 -7.840 1.00 0.38 C ATOM 1408 C LEU A 147 110.217 0.733 -8.766 1.00 0.39 C ATOM 1409 O LEU A 147 110.773 0.498 -9.820 1.00 0.40 O ATOM 1410 CB LEU A 147 111.572 1.236 -6.736 1.00 0.41 C ATOM 1411 CG LEU A 147 112.038 2.338 -5.777 1.00 0.43 C ATOM 1412 CD1 LEU A 147 112.955 1.730 -4.710 1.00 0.48 C ATOM 1413 CD2 LEU A 147 112.805 3.415 -6.559 1.00 0.46 C ATOM 0 H LEU A 147 109.482 2.497 -6.220 1.00 0.38 H new ATOM 0 HA LEU A 147 111.295 2.569 -8.397 1.00 0.38 H new ATOM 0 HB2 LEU A 147 111.007 0.481 -6.190 1.00 0.41 H new ATOM 0 HB3 LEU A 147 112.435 0.734 -7.174 1.00 0.41 H new ATOM 0 HG LEU A 147 111.170 2.791 -5.298 1.00 0.43 H new ATOM 0 HD11 LEU A 147 113.287 2.512 -4.027 1.00 0.48 H new ATOM 0 HD12 LEU A 147 112.409 0.969 -4.152 1.00 0.48 H new ATOM 0 HD13 LEU A 147 113.821 1.276 -5.191 1.00 0.48 H new ATOM 0 HD21 LEU A 147 113.135 4.196 -5.874 1.00 0.46 H new ATOM 0 HD22 LEU A 147 113.673 2.966 -7.041 1.00 0.46 H new ATOM 0 HD23 LEU A 147 112.152 3.848 -7.317 1.00 0.46 H new ATOM 1425 N LYS A 148 109.176 0.050 -8.376 1.00 0.41 N ATOM 1426 CA LYS A 148 108.642 -1.046 -9.226 1.00 0.45 C ATOM 1427 C LYS A 148 108.179 -0.466 -10.564 1.00 0.44 C ATOM 1428 O LYS A 148 108.491 -0.981 -11.621 1.00 0.46 O ATOM 1429 CB LYS A 148 107.453 -1.690 -8.508 1.00 0.52 C ATOM 1430 CG LYS A 148 107.066 -2.986 -9.216 1.00 1.21 C ATOM 1431 CD LYS A 148 105.855 -3.608 -8.515 1.00 1.72 C ATOM 1432 CE LYS A 148 105.547 -4.973 -9.135 1.00 2.28 C ATOM 1433 NZ LYS A 148 104.751 -5.787 -8.173 1.00 2.73 N ATOM 0 HA LYS A 148 109.415 -1.793 -9.405 1.00 0.45 H new ATOM 0 HB2 LYS A 148 107.711 -1.895 -7.469 1.00 0.52 H new ATOM 0 HB3 LYS A 148 106.607 -1.003 -8.497 1.00 0.52 H new ATOM 0 HG2 LYS A 148 106.831 -2.786 -10.261 1.00 1.21 H new ATOM 0 HG3 LYS A 148 107.904 -3.683 -9.205 1.00 1.21 H new ATOM 0 HD2 LYS A 148 106.056 -3.719 -7.449 1.00 1.72 H new ATOM 0 HD3 LYS A 148 104.990 -2.951 -8.610 1.00 1.72 H new ATOM 0 HE2 LYS A 148 104.993 -4.845 -10.065 1.00 2.28 H new ATOM 0 HE3 LYS A 148 106.474 -5.489 -9.384 1.00 2.28 H new ATOM 0 HZ1 LYS A 148 104.541 -6.715 -8.594 1.00 2.73 H new ATOM 0 HZ2 LYS A 148 105.295 -5.919 -7.297 1.00 2.73 H new ATOM 0 HZ3 LYS A 148 103.860 -5.296 -7.957 1.00 2.73 H new ATOM 1447 N LEU A 149 107.446 0.614 -10.525 1.00 0.43 N ATOM 1448 CA LEU A 149 106.971 1.241 -11.792 1.00 0.46 C ATOM 1449 C LEU A 149 108.178 1.719 -12.595 1.00 0.43 C ATOM 1450 O LEU A 149 108.244 1.562 -13.798 1.00 0.47 O ATOM 1451 CB LEU A 149 106.084 2.444 -11.466 1.00 0.50 C ATOM 1452 CG LEU A 149 104.868 1.989 -10.653 1.00 0.55 C ATOM 1453 CD1 LEU A 149 104.049 3.219 -10.245 1.00 0.66 C ATOM 1454 CD2 LEU A 149 103.997 1.037 -11.499 1.00 0.59 C ATOM 0 HA LEU A 149 106.402 0.511 -12.369 1.00 0.46 H new ATOM 0 HB2 LEU A 149 106.653 3.184 -10.903 1.00 0.50 H new ATOM 0 HB3 LEU A 149 105.757 2.926 -12.387 1.00 0.50 H new ATOM 0 HG LEU A 149 105.203 1.460 -9.761 1.00 0.55 H new ATOM 0 HD11 LEU A 149 103.181 2.903 -9.666 1.00 0.66 H new ATOM 0 HD12 LEU A 149 104.667 3.883 -9.640 1.00 0.66 H new ATOM 0 HD13 LEU A 149 103.716 3.747 -11.138 1.00 0.66 H new ATOM 0 HD21 LEU A 149 103.134 0.717 -10.915 1.00 0.59 H new ATOM 0 HD22 LEU A 149 103.656 1.555 -12.395 1.00 0.59 H new ATOM 0 HD23 LEU A 149 104.584 0.165 -11.786 1.00 0.59 H new ATOM 1466 N ARG A 150 109.136 2.301 -11.930 1.00 0.41 N ATOM 1467 CA ARG A 150 110.345 2.789 -12.639 1.00 0.46 C ATOM 1468 C ARG A 150 111.024 1.603 -13.323 1.00 0.55 C ATOM 1469 O ARG A 150 111.580 1.720 -14.395 1.00 0.66 O ATOM 1470 CB ARG A 150 111.309 3.414 -11.623 1.00 0.59 C ATOM 1471 CG ARG A 150 112.270 4.366 -12.343 1.00 1.21 C ATOM 1472 CD ARG A 150 111.566 5.709 -12.627 1.00 1.63 C ATOM 1473 NE ARG A 150 111.834 6.144 -14.031 1.00 2.15 N ATOM 1474 CZ ARG A 150 113.034 6.073 -14.544 1.00 2.67 C ATOM 1475 NH1 ARG A 150 114.049 5.706 -13.808 1.00 2.97 N ATOM 1476 NH2 ARG A 150 113.224 6.394 -15.789 1.00 3.46 N ATOM 0 H ARG A 150 109.131 2.459 -10.922 1.00 0.41 H new ATOM 0 HA ARG A 150 110.068 3.537 -13.382 1.00 0.46 H new ATOM 0 HB2 ARG A 150 110.749 3.955 -10.860 1.00 0.59 H new ATOM 0 HB3 ARG A 150 111.871 2.632 -11.111 1.00 0.59 H new ATOM 0 HG2 ARG A 150 113.157 4.533 -11.731 1.00 1.21 H new ATOM 0 HG3 ARG A 150 112.607 3.918 -13.278 1.00 1.21 H new ATOM 0 HD2 ARG A 150 110.492 5.606 -12.469 1.00 1.63 H new ATOM 0 HD3 ARG A 150 111.920 6.468 -11.929 1.00 1.63 H new ATOM 0 HE ARG A 150 111.067 6.503 -14.599 1.00 2.15 H new ATOM 0 HH11 ARG A 150 113.908 5.472 -12.825 1.00 2.97 H new ATOM 0 HH21 ARG A 150 112.438 6.700 -16.362 1.00 3.46 H new ATOM 0 HH22 ARG A 150 114.159 6.340 -16.193 1.00 3.46 H new ATOM 1490 N GLU A 151 110.981 0.461 -12.692 1.00 0.59 N ATOM 1491 CA GLU A 151 111.619 -0.746 -13.281 1.00 0.78 C ATOM 1492 C GLU A 151 110.995 -1.021 -14.651 1.00 0.88 C ATOM 1493 O GLU A 151 111.664 -1.417 -15.580 1.00 1.11 O ATOM 1494 CB GLU A 151 111.373 -1.940 -12.356 1.00 0.79 C ATOM 1495 CG GLU A 151 112.251 -3.116 -12.785 1.00 1.11 C ATOM 1496 CD GLU A 151 111.901 -4.344 -11.942 1.00 1.44 C ATOM 1497 OE1 GLU A 151 110.724 -4.561 -11.706 1.00 1.95 O ATOM 1498 OE2 GLU A 151 112.816 -5.045 -11.544 1.00 2.13 O ATOM 0 HA GLU A 151 112.691 -0.587 -13.394 1.00 0.78 H new ATOM 0 HB2 GLU A 151 111.596 -1.665 -11.325 1.00 0.79 H new ATOM 0 HB3 GLU A 151 110.322 -2.227 -12.390 1.00 0.79 H new ATOM 0 HG2 GLU A 151 112.098 -3.331 -13.843 1.00 1.11 H new ATOM 0 HG3 GLU A 151 113.304 -2.863 -12.660 1.00 1.11 H new ATOM 1505 N GLN A 152 109.715 -0.808 -14.778 1.00 0.83 N ATOM 1506 CA GLN A 152 109.042 -1.053 -16.083 1.00 1.11 C ATOM 1507 C GLN A 152 109.752 -0.260 -17.180 1.00 0.98 C ATOM 1508 O GLN A 152 109.802 -0.660 -18.326 1.00 1.26 O ATOM 1509 CB GLN A 152 107.578 -0.602 -15.990 1.00 1.58 C ATOM 1510 CG GLN A 152 106.812 -1.052 -17.241 1.00 2.30 C ATOM 1511 CD GLN A 152 105.325 -1.203 -16.908 1.00 2.61 C ATOM 1512 OE1 GLN A 152 104.873 -0.740 -15.878 1.00 3.02 O ATOM 1513 NE2 GLN A 152 104.547 -1.848 -17.729 1.00 3.07 N ATOM 0 H GLN A 152 109.105 -0.474 -14.032 1.00 0.83 H new ATOM 0 HA GLN A 152 109.083 -2.116 -16.322 1.00 1.11 H new ATOM 0 HB2 GLN A 152 107.115 -1.024 -15.098 1.00 1.58 H new ATOM 0 HB3 GLN A 152 107.528 0.483 -15.893 1.00 1.58 H new ATOM 0 HG2 GLN A 152 106.943 -0.324 -18.041 1.00 2.30 H new ATOM 0 HG3 GLN A 152 107.212 -1.999 -17.603 1.00 2.30 H new ATOM 0 HE21 GLN A 152 104.927 -2.236 -18.593 1.00 3.07 H new ATOM 0 HE22 GLN A 152 103.558 -1.965 -17.509 1.00 3.07 H new ATOM 1522 N GLY A 153 110.285 0.875 -16.823 1.00 1.30 N ATOM 1523 CA GLY A 153 110.991 1.725 -17.824 1.00 1.71 C ATOM 1524 C GLY A 153 112.218 0.992 -18.368 1.00 2.59 C ATOM 1525 O GLY A 153 113.279 1.569 -18.512 1.00 3.32 O ATOM 0 H GLY A 153 110.262 1.253 -15.876 1.00 1.30 H new ATOM 0 HA2 GLY A 153 110.315 1.974 -18.642 1.00 1.71 H new ATOM 0 HA3 GLY A 153 111.294 2.665 -17.364 1.00 1.71 H new TER 1529 GLY A 153 END