USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 795 hydrogens (0 hets) HEADER OXIDOREDUCTASE 10-OCT-00 1G10 TITLE TOLUENE-4-MONOOXYGENASE CATALYTIC EFFECTOR PROTEIN NMR TITLE 2 STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: TOLUENE-4-MONOOXYGENASE CATALYTIC EFFECTOR; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: TOLUENE-4-MONOOXYGENASE SYSTEM PROTEIN D, T4MOD; COMPND 5 EC: 1.14.13.-; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS MENDOCINA; SOURCE 3 ORGANISM_TAXID: 300; SOURCE 4 STRAIN: KR1; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_PLASMID: PET15B KEYWDS AROMATIC HYDROCARBON CATABOLISM, OXIDOREDUCTASE, KEYWDS 2 MONOOXYGENASE, TOLUENE OXIDATION EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR H.HEMMI,J.M.STUDTS,Y.K.CHAE,J.SONG,J.L.MARKLEY,B.G.FOX REVDAT 3 24-FEB-09 1G10 1 VERSN REVDAT 2 11-OCT-05 1G10 1 REMARK REVDAT 1 09-MAY-01 1G10 0 JRNL AUTH H.HEMMI,J.M.STUDTS,Y.K.CHAE,J.SONG,J.L.MARKLEY, JRNL AUTH 2 B.G.FOX JRNL TITL SOLUTION STRUCTURE OF THE TOLUENE 4-MONOOXYGENASE JRNL TITL 2 EFFECTOR PROTEIN (T4MOD). JRNL REF BIOCHEMISTRY V. 40 3512 2001 JRNL REFN ISSN 0006-2960 JRNL PMID 11297417 JRNL DOI 10.1021/BI0013703 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH H.HEMMI,J.M.STUDTS,Y.K.CHAE,B.G.FOX,J.L.MARKLEY REMARK 1 TITL ASSIGNMENT OF 1H, 13C AND 15N NMR SIGNALS IN THE REMARK 1 TITL 2 TOLUENE 4-MONOOXYGENASE EFFECTOR PROTEIN REMARK 1 REF J.BIOMOL.NMR V. 16 359 2000 REMARK 1 REFN ISSN 0925-2738 REMARK 1 DOI 10.1023/A:1008333115661 REMARK 1 REFERENCE 2 REMARK 1 AUTH J.M.STUDTS,B.G.FOX REMARK 1 TITL APPLICATION OF FED-BATCH FERMENTATION TO THE REMARK 1 TITL 2 PREPARATION OF ISOTOPICALY LABELED OR REMARK 1 TITL 3 SELENOMETHIONYL-LABELED PROTEINS REMARK 1 REF PROTEIN EXPR.PURIF. V. 16 109 1999 REMARK 1 REFN ISSN 1046-5928 REMARK 1 DOI 10.1006/PREP.1999.1067 REMARK 1 REFERENCE 3 REMARK 1 AUTH B.XIA,J.D.PIKUS,W.XIA,K.MCCLAY,R.J.STEFFAN, REMARK 1 AUTH 2 Y.K.CHAE,M.M.WESTLER,J.L.MARKLEY,B.G.FOX REMARK 1 TITL DETECTION AND CLASSIFICATION OF HYPERFINE-SHIFTED REMARK 1 TITL 2 1H, 2H, AND 15N RESONANCES OF THE RIESKE REMARK 1 TITL 3 FERREDOXIN COMPONENT FROM TOLUENE 4-MONOOXYGENASE REMARK 1 REF BIOCHEMISTRY V. 38 727 1999 REMARK 1 REFN ISSN 0006-2960 REMARK 1 DOI 10.1021/BI981851A REMARK 1 REFERENCE 4 REMARK 1 AUTH J.D.PIKUS,J.M STUDTS,C.ACHIM,K.E.KAUFFMANN,E.MUNCK, REMARK 1 AUTH 2 R.J.STEFFAN,K.MCCLAY,B.G.FOX REMARK 1 TITL RECOMBINANT TOLUENE-4-MONOOXYGENASE: CATALYTIC AND REMARK 1 TITL 2 MOSSBAUER STUDIES OF THE PURIFIED DIIRON AND REMARK 1 TITL 3 RIESKE COMPONENTS OF A FOUR-PROTEIN COMPLEX REMARK 1 REF BIOCHEMISTRY V. 35 9106 1996 REMARK 1 REFN ISSN 0006-2960 REMARK 1 DOI 10.1021/BI960456M REMARK 1 REFERENCE 5 REMARK 1 AUTH G.M.WHITED,D.T.GIBSON REMARK 1 TITL TOLUENE-4-MONOOXYGENASE, A THREE COMPONENT ENZYME REMARK 1 TITL 2 SYSTEM THAT CATALYZES THE OXIDATION OF TOLUENE TO REMARK 1 TITL 3 P-CRESOL IN PSEUDOMONAS MENDOCINA KR1 REMARK 1 REF J.BACTERIOL. V. 173 3010 1991 REMARK 1 REFN ISSN 0021-9193 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : DYANA 1.5 REMARK 3 AUTHORS : GUNTER, MUMENTHALER, WUTRICH REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1G10 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 25-OCT-00. REMARK 100 THE RCSB ID CODE IS RCSB012098. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298; 298 REMARK 210 PH : 7.0; 7.0 REMARK 210 IONIC STRENGTH : 67; 67 REMARK 210 PRESSURE : AMBIENT; AMBIENT REMARK 210 SAMPLE CONTENTS : 1.1 MM [U-13C,U-15N] T4MOD; REMARK 210 3.0 MM [NA] T4MOD REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : H-15N HSQC,HNCA,HN(CO)CA, REMARK 210 C(CO)NH,HNCACB,HCCH-COSY,HCCH-TOCSY,2D_1H-NOESY,2D_1H-TOCSY,CT REMARK 210 -13C-HSQC,3D_NOESY-CT-HSCQ,3D_TOCSY-CT-HSQC REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ, 600 MHZ REMARK 210 SPECTROMETER MODEL : DMX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : X-PLOR 3.843 REMARK 210 METHOD USED : DISTANCE GEOMETRY SIMULATED REMARK 210 ANNEALING, TORSION ANGLE REMARK 210 MOLECULAR DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: 123 1H-15N CROSS PEAKS WERE ASSIGNED OUT OF THE REMARK 210 EXPECTED 129 CROSS PEAKS (95% COMPLETE). 386 BACKBONE REMARK 210 RESONANCES WERE ASSIGNED OUT OF THE EXPECTED 400 RESONANCES REMARK 210 (97% COMPLETE). 789 SIDECHAIN RESONANCES WERE ASSIGNED OUT OF REMARK 210 THE EXPECTED 901 RESONANCES (88% COMPLETE). ARG SIDECHAIN REMARK 210 ATOMS ACCOUNT FOR 51 OF 112 UNASSIGNED SIDECHAIN ATOMS (51%). REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ALA A 7 63.21 -179.78 REMARK 500 HIS A 9 164.70 85.80 REMARK 500 ASN A 11 -69.69 -149.47 REMARK 500 ASN A 12 145.38 -177.25 REMARK 500 ASP A 21 134.36 179.56 REMARK 500 LYS A 37 47.34 -83.63 REMARK 500 GLU A 38 47.97 178.75 REMARK 500 ARG A 45 -47.69 161.73 REMARK 500 ARG A 60 44.01 -86.41 REMARK 500 PHE A 71 -157.42 -158.13 REMARK 500 ALA A 81 -60.26 -125.13 REMARK 500 LYS A 100 -98.62 -81.08 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1G11 RELATED DB: PDB REMARK 900 ENSEMBLE OF 20 STRUCTURES REMARK 900 RELATED ID: 4560 RELATED DB: BMRB REMARK 900 CHEMICAL SHIFTS ASSIGNMENTS DBREF 1G10 A 1 102 UNP Q00459 TMOD_PSEME 1 102 SEQRES 1 A 102 SER THR LEU ALA ASP GLN ALA LEU HIS ASN ASN ASN VAL SEQRES 2 A 102 GLY PRO ILE ILE ARG ALA GLY ASP LEU VAL GLU PRO VAL SEQRES 3 A 102 ILE GLU THR ALA GLU ILE ASP ASN PRO GLY LYS GLU ILE SEQRES 4 A 102 THR VAL GLU ASP ARG ARG ALA TYR VAL ARG ILE ALA ALA SEQRES 5 A 102 GLU GLY GLU LEU ILE LEU THR ARG LYS THR LEU GLU GLU SEQRES 6 A 102 GLN LEU GLY ARG PRO PHE ASN MET GLN GLU LEU GLU ILE SEQRES 7 A 102 ASN LEU ALA SER PHE ALA GLY GLN ILE GLN ALA ASP GLU SEQRES 8 A 102 ASP GLN ILE ARG PHE TYR PHE ASP LYS THR MET HELIX 1 1 LEU A 22 ASP A 33 1 12 HELIX 2 2 ARG A 60 LEU A 67 1 8 HELIX 3 3 MET A 73 ASN A 79 1 7 SHEET 1 A 3 ILE A 16 ARG A 18 0 SHEET 2 A 3 TYR A 47 ALA A 51 -1 N VAL A 48 O ILE A 17 SHEET 3 A 3 THR A 40 ASP A 43 -1 N THR A 40 O ALA A 51 SHEET 1 B 3 GLU A 55 LEU A 58 0 SHEET 2 B 3 GLN A 93 TYR A 97 -1 O ILE A 94 N LEU A 58 SHEET 3 B 3 GLN A 86 ASP A 90 -1 N GLN A 86 O TYR A 97 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 Single : A 1 SER N :NH3+ -139:sc= 0.0842 (180deg=-0.243) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0711 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -1.12 K(o=-1.1,f=-0.34) USER MOD Single : A 9 HIS : no HD1:sc= -0.193 X(o=-0.19,f=-0.025) USER MOD Single : A 10 ASN : amide:sc= -0.0165 K(o=-0.017,f=-0.75) USER MOD Single : A 11 ASN : amide:sc= -0.408 K(o=-0.41,f=-3.1!) USER MOD Single : A 12 ASN : amide:sc= -1.5 K(o=-1.5,f=-3.6!) USER MOD Single : A 29 THR OG1 : rot 80:sc= 1.15 USER MOD Single : A 34 ASN : amide:sc= -5.48! C(o=-5.5!,f=-8.1!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 175:sc= 0.0144 (180deg=-0.0177) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -1.79 X(o=-1.8,f=-2!) USER MOD Single : A 72 ASN : amide:sc= -1.58 K(o=-1.6,f=-0.76) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 79 ASN : amide:sc= -7.78! C(o=-7.8!,f=-9.2!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -0.309 K(o=-0.31,f=-2.7!) USER MOD Single : A 88 GLN : amide:sc= -0.138 K(o=-0.14,f=-1.9!) USER MOD Single : A 93 GLN : amide:sc= -0.744 X(o=-0.74,f=-0.42) USER MOD Single : A 97 TYR OH : rot -90:sc= -1.18 USER MOD Single : A 100 LYS NZ :NH3+ -176:sc= 0.348 (180deg=0.18) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -18.444 10.840 -22.328 1.00 0.00 N ATOM 2 CA SER A 1 -17.696 10.840 -23.572 1.00 0.00 C ATOM 3 C SER A 1 -16.196 10.792 -23.280 1.00 0.00 C ATOM 4 O SER A 1 -15.448 10.096 -23.968 1.00 0.00 O ATOM 5 CB SER A 1 -18.032 12.068 -24.416 1.00 0.00 C ATOM 6 OG SER A 1 -19.220 12.716 -23.968 1.00 0.00 O ATOM 0 H1 SER A 1 -19.275 10.222 -22.423 1.00 0.00 H new ATOM 0 H2 SER A 1 -17.838 10.490 -21.559 1.00 0.00 H new ATOM 0 H3 SER A 1 -18.756 11.808 -22.110 1.00 0.00 H new ATOM 0 HA SER A 1 -17.978 9.954 -24.140 1.00 0.00 H new ATOM 0 HB2 SER A 1 -17.200 12.771 -24.380 1.00 0.00 H new ATOM 0 HB3 SER A 1 -18.152 11.770 -25.458 1.00 0.00 H new ATOM 0 HG SER A 1 -19.399 13.497 -24.532 1.00 0.00 H new ATOM 12 N THR A 2 -15.796 11.532 -22.264 1.00 0.00 N ATOM 13 CA THR A 2 -14.400 11.580 -21.872 1.00 0.00 C ATOM 14 C THR A 2 -14.216 10.980 -20.476 1.00 0.00 C ATOM 15 O THR A 2 -14.736 11.512 -19.496 1.00 0.00 O ATOM 16 CB THR A 2 -13.928 13.032 -21.976 1.00 0.00 C ATOM 17 OG1 THR A 2 -13.376 13.124 -23.284 1.00 0.00 O ATOM 18 CG2 THR A 2 -12.744 13.332 -21.056 1.00 0.00 C ATOM 0 H THR A 2 -16.417 12.108 -21.695 1.00 0.00 H new ATOM 0 HA THR A 2 -13.783 10.974 -22.536 1.00 0.00 H new ATOM 0 HB THR A 2 -14.756 13.699 -21.734 1.00 0.00 H new ATOM 0 HG1 THR A 2 -13.047 14.034 -23.437 1.00 0.00 H new ATOM 0 HG21 THR A 2 -12.450 14.375 -21.170 1.00 0.00 H new ATOM 0 HG22 THR A 2 -13.031 13.147 -20.021 1.00 0.00 H new ATOM 0 HG23 THR A 2 -11.905 12.688 -21.320 1.00 0.00 H new ATOM 26 N LEU A 3 -13.472 9.888 -20.428 1.00 0.00 N ATOM 27 CA LEU A 3 -13.216 9.212 -19.172 1.00 0.00 C ATOM 28 C LEU A 3 -12.168 9.992 -18.380 1.00 0.00 C ATOM 29 O LEU A 3 -11.104 10.320 -18.904 1.00 0.00 O ATOM 30 CB LEU A 3 -12.836 7.748 -19.416 1.00 0.00 C ATOM 31 CG LEU A 3 -12.144 7.032 -18.256 1.00 0.00 C ATOM 32 CD1 LEU A 3 -10.732 7.576 -18.040 1.00 0.00 C ATOM 33 CD2 LEU A 3 -12.988 7.108 -16.984 1.00 0.00 C ATOM 0 H LEU A 3 -13.037 9.454 -21.242 1.00 0.00 H new ATOM 0 HA LEU A 3 -14.121 9.186 -18.565 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -13.741 7.196 -19.669 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -12.181 7.704 -20.286 1.00 0.00 H new ATOM 0 HG LEU A 3 -12.046 5.978 -18.515 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -10.262 7.049 -17.209 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -10.142 7.426 -18.944 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -10.783 8.641 -17.812 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -12.473 6.591 -16.174 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -13.139 8.152 -16.710 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -13.954 6.635 -17.160 1.00 0.00 H new ATOM 45 N ALA A 4 -12.504 10.272 -17.128 1.00 0.00 N ATOM 46 CA ALA A 4 -11.604 11.008 -16.256 1.00 0.00 C ATOM 47 C ALA A 4 -11.772 10.516 -14.820 1.00 0.00 C ATOM 48 O ALA A 4 -12.880 10.196 -14.396 1.00 0.00 O ATOM 49 CB ALA A 4 -11.876 12.508 -16.396 1.00 0.00 C ATOM 0 H ALA A 4 -13.388 10.002 -16.697 1.00 0.00 H new ATOM 0 HA ALA A 4 -10.566 10.835 -16.541 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -11.202 13.062 -15.743 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -11.712 12.813 -17.430 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -12.908 12.718 -16.115 1.00 0.00 H new ATOM 55 N ASP A 5 -10.652 10.472 -14.108 1.00 0.00 N ATOM 56 CA ASP A 5 -10.664 10.024 -12.728 1.00 0.00 C ATOM 57 C ASP A 5 -9.644 10.832 -11.924 1.00 0.00 C ATOM 58 O ASP A 5 -8.692 11.364 -12.488 1.00 0.00 O ATOM 59 CB ASP A 5 -10.280 8.544 -12.624 1.00 0.00 C ATOM 60 CG ASP A 5 -11.344 7.640 -12.000 1.00 0.00 C ATOM 61 OD1 ASP A 5 -12.492 8.116 -11.880 1.00 0.00 O ATOM 62 OD2 ASP A 5 -10.984 6.492 -11.660 1.00 0.00 O ATOM 0 H ASP A 5 -9.734 10.739 -14.463 1.00 0.00 H new ATOM 0 HA ASP A 5 -11.672 10.164 -12.338 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -10.051 8.173 -13.623 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -9.366 8.462 -12.036 1.00 0.00 H new ATOM 67 N GLN A 6 -9.880 10.896 -10.620 1.00 0.00 N ATOM 68 CA GLN A 6 -8.996 11.632 -9.736 1.00 0.00 C ATOM 69 C GLN A 6 -9.156 11.140 -8.296 1.00 0.00 C ATOM 70 O GLN A 6 -10.232 10.696 -7.904 1.00 0.00 O ATOM 71 CB GLN A 6 -9.252 13.136 -9.832 1.00 0.00 C ATOM 72 CG GLN A 6 -8.008 13.876 -10.328 1.00 0.00 C ATOM 73 CD GLN A 6 -7.896 15.256 -9.684 1.00 0.00 C ATOM 74 OE1 GLN A 6 -7.792 16.276 -10.348 1.00 0.00 O ATOM 75 NE2 GLN A 6 -7.920 15.236 -8.352 1.00 0.00 N ATOM 0 H GLN A 6 -10.671 10.449 -10.157 1.00 0.00 H new ATOM 0 HA GLN A 6 -7.968 11.451 -10.050 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -10.085 13.324 -10.510 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -9.543 13.522 -8.855 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -7.117 13.291 -10.099 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -8.051 13.980 -11.412 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -8.009 14.349 -7.857 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -7.849 16.108 -7.828 1.00 0.00 H new ATOM 84 N ALA A 7 -8.064 11.236 -7.548 1.00 0.00 N ATOM 85 CA ALA A 7 -8.072 10.808 -6.160 1.00 0.00 C ATOM 86 C ALA A 7 -6.688 11.040 -5.552 1.00 0.00 C ATOM 87 O ALA A 7 -6.008 10.096 -5.156 1.00 0.00 O ATOM 88 CB ALA A 7 -8.500 9.340 -6.080 1.00 0.00 C ATOM 0 H ALA A 7 -7.171 11.603 -7.877 1.00 0.00 H new ATOM 0 HA ALA A 7 -8.790 11.391 -5.584 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -8.506 9.019 -5.038 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -9.500 9.229 -6.500 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -7.799 8.725 -6.645 1.00 0.00 H new ATOM 94 N LEU A 8 -6.304 12.308 -5.500 1.00 0.00 N ATOM 95 CA LEU A 8 -5.016 12.680 -4.948 1.00 0.00 C ATOM 96 C LEU A 8 -5.224 13.520 -3.688 1.00 0.00 C ATOM 97 O LEU A 8 -6.312 14.056 -3.468 1.00 0.00 O ATOM 98 CB LEU A 8 -4.156 13.368 -6.008 1.00 0.00 C ATOM 99 CG LEU A 8 -4.312 12.848 -7.440 1.00 0.00 C ATOM 100 CD1 LEU A 8 -4.724 13.976 -8.388 1.00 0.00 C ATOM 101 CD2 LEU A 8 -3.036 12.144 -7.908 1.00 0.00 C ATOM 0 H LEU A 8 -6.866 13.091 -5.833 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.463 11.790 -4.649 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -4.389 14.433 -6.002 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.110 13.269 -5.719 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.112 12.107 -7.452 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.828 13.582 -9.399 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -5.676 14.396 -8.062 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.962 14.755 -8.379 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.172 11.784 -8.928 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.202 12.845 -7.879 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.824 11.301 -7.251 1.00 0.00 H new ATOM 113 N HIS A 9 -4.172 13.608 -2.888 1.00 0.00 N ATOM 114 CA HIS A 9 -4.228 14.372 -1.656 1.00 0.00 C ATOM 115 C HIS A 9 -4.788 13.496 -0.532 1.00 0.00 C ATOM 116 O HIS A 9 -5.364 12.440 -0.792 1.00 0.00 O ATOM 117 CB HIS A 9 -5.028 15.664 -1.852 1.00 0.00 C ATOM 118 CG HIS A 9 -4.660 16.768 -0.892 1.00 0.00 C ATOM 119 ND1 HIS A 9 -5.592 17.628 -0.340 1.00 0.00 N ATOM 120 CD2 HIS A 9 -3.448 17.140 -0.384 1.00 0.00 C ATOM 121 CE1 HIS A 9 -4.964 18.476 0.456 1.00 0.00 C ATOM 122 NE2 HIS A 9 -3.632 18.176 0.424 1.00 0.00 N ATOM 0 H HIS A 9 -3.274 13.161 -3.071 1.00 0.00 H new ATOM 0 HA HIS A 9 -3.221 14.675 -1.368 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -4.880 16.019 -2.872 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -6.089 15.441 -1.743 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -2.500 16.670 -0.603 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -5.423 19.267 1.031 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -2.900 18.667 0.937 1.00 0.00 H new ATOM 130 N ASN A 10 -4.596 13.964 0.692 1.00 0.00 N ATOM 131 CA ASN A 10 -5.072 13.236 1.856 1.00 0.00 C ATOM 132 C ASN A 10 -6.456 12.656 1.556 1.00 0.00 C ATOM 133 O ASN A 10 -7.336 13.360 1.068 1.00 0.00 O ATOM 134 CB ASN A 10 -5.200 14.160 3.068 1.00 0.00 C ATOM 135 CG ASN A 10 -5.948 13.468 4.208 1.00 0.00 C ATOM 136 OD1 ASN A 10 -5.760 12.296 4.492 1.00 0.00 O ATOM 137 ND2 ASN A 10 -6.812 14.252 4.848 1.00 0.00 N ATOM 0 H ASN A 10 -4.117 14.839 0.903 1.00 0.00 H new ATOM 0 HA ASN A 10 -4.354 12.447 2.078 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -4.209 14.459 3.408 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -5.727 15.070 2.782 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -7.361 13.880 5.623 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -6.925 15.225 4.564 1.00 0.00 H new ATOM 144 N ASN A 11 -6.604 11.372 1.864 1.00 0.00 N ATOM 145 CA ASN A 11 -7.864 10.692 1.632 1.00 0.00 C ATOM 146 C ASN A 11 -8.040 9.592 2.680 1.00 0.00 C ATOM 147 O ASN A 11 -8.896 9.704 3.560 1.00 0.00 O ATOM 148 CB ASN A 11 -7.888 10.032 0.252 1.00 0.00 C ATOM 149 CG ASN A 11 -8.636 10.900 -0.760 1.00 0.00 C ATOM 150 OD1 ASN A 11 -9.244 11.904 -0.420 1.00 0.00 O ATOM 151 ND2 ASN A 11 -8.564 10.468 -2.012 1.00 0.00 N ATOM 0 H ASN A 11 -5.872 10.790 2.271 1.00 0.00 H new ATOM 0 HA ASN A 11 -8.663 11.431 1.694 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -6.867 9.864 -0.092 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -8.366 9.055 0.321 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -9.033 10.983 -2.757 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -8.039 9.621 -2.230 1.00 0.00 H new ATOM 158 N ASN A 12 -7.220 8.560 2.556 1.00 0.00 N ATOM 159 CA ASN A 12 -7.276 7.444 3.484 1.00 0.00 C ATOM 160 C ASN A 12 -6.172 6.440 3.136 1.00 0.00 C ATOM 161 O ASN A 12 -5.844 6.256 1.968 1.00 0.00 O ATOM 162 CB ASN A 12 -8.620 6.716 3.392 1.00 0.00 C ATOM 163 CG ASN A 12 -8.852 6.168 1.980 1.00 0.00 C ATOM 164 OD1 ASN A 12 -8.112 6.448 1.052 1.00 0.00 O ATOM 165 ND2 ASN A 12 -9.912 5.376 1.876 1.00 0.00 N ATOM 0 H ASN A 12 -6.512 8.473 1.826 1.00 0.00 H new ATOM 0 HA ASN A 12 -7.147 7.838 4.492 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -8.645 5.898 4.112 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -9.427 7.399 3.658 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -10.151 4.959 0.976 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -10.488 5.185 2.696 1.00 0.00 H new ATOM 172 N VAL A 13 -5.632 5.824 4.176 1.00 0.00 N ATOM 173 CA VAL A 13 -4.572 4.844 3.996 1.00 0.00 C ATOM 174 C VAL A 13 -5.112 3.452 4.328 1.00 0.00 C ATOM 175 O VAL A 13 -6.020 3.312 5.148 1.00 0.00 O ATOM 176 CB VAL A 13 -3.356 5.232 4.836 1.00 0.00 C ATOM 177 CG1 VAL A 13 -2.468 6.228 4.088 1.00 0.00 C ATOM 178 CG2 VAL A 13 -3.780 5.792 6.196 1.00 0.00 C ATOM 0 H VAL A 13 -5.907 5.983 5.145 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.239 4.824 2.958 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.773 4.328 5.014 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.610 6.487 4.708 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.121 5.779 3.158 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -3.040 7.129 3.864 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.894 6.059 6.772 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.398 6.678 6.048 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.351 5.038 6.738 1.00 0.00 H new ATOM 188 N GLY A 14 -4.524 2.456 3.680 1.00 0.00 N ATOM 189 CA GLY A 14 -4.932 1.076 3.896 1.00 0.00 C ATOM 190 C GLY A 14 -3.748 0.124 3.732 1.00 0.00 C ATOM 191 O GLY A 14 -3.648 -0.576 2.724 1.00 0.00 O ATOM 0 H GLY A 14 -3.769 2.577 3.005 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.353 0.970 4.896 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.718 0.810 3.189 1.00 0.00 H new ATOM 195 N PRO A 15 -2.860 0.124 4.760 1.00 0.00 N ATOM 196 CA PRO A 15 -1.688 -0.732 4.736 1.00 0.00 C ATOM 197 C PRO A 15 -2.068 -2.188 5.020 1.00 0.00 C ATOM 198 O PRO A 15 -2.692 -2.484 6.040 1.00 0.00 O ATOM 199 CB PRO A 15 -0.752 -0.148 5.784 1.00 0.00 C ATOM 200 CG PRO A 15 -1.620 0.728 6.676 1.00 0.00 C ATOM 201 CD PRO A 15 -2.948 0.940 5.968 1.00 0.00 C ATOM 0 HA PRO A 15 -1.205 -0.757 3.759 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -0.271 -0.937 6.361 1.00 0.00 H new ATOM 0 HB3 PRO A 15 0.042 0.435 5.317 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -1.775 0.252 7.644 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.131 1.684 6.865 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -3.784 0.630 6.595 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -3.104 1.991 5.725 1.00 0.00 H new ATOM 209 N ILE A 16 -1.672 -3.060 4.104 1.00 0.00 N ATOM 210 CA ILE A 16 -1.964 -4.476 4.244 1.00 0.00 C ATOM 211 C ILE A 16 -0.656 -5.240 4.456 1.00 0.00 C ATOM 212 O ILE A 16 0.252 -5.168 3.628 1.00 0.00 O ATOM 213 CB ILE A 16 -2.780 -4.972 3.048 1.00 0.00 C ATOM 214 CG1 ILE A 16 -3.944 -4.024 2.744 1.00 0.00 C ATOM 215 CG2 ILE A 16 -3.260 -6.408 3.272 1.00 0.00 C ATOM 216 CD1 ILE A 16 -4.696 -3.652 4.024 1.00 0.00 C ATOM 0 H ILE A 16 -1.151 -2.813 3.262 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.585 -4.656 5.122 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.131 -4.978 2.172 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -3.567 -3.121 2.264 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -4.629 -4.497 2.040 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -3.837 -6.738 2.408 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.399 -7.063 3.404 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.886 -6.448 4.163 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -5.517 -2.978 3.781 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -5.093 -4.555 4.488 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.014 -3.158 4.716 1.00 0.00 H new ATOM 228 N ILE A 17 -0.604 -5.960 5.568 1.00 0.00 N ATOM 229 CA ILE A 17 0.576 -6.740 5.900 1.00 0.00 C ATOM 230 C ILE A 17 0.148 -8.060 6.536 1.00 0.00 C ATOM 231 O ILE A 17 -1.040 -8.284 6.776 1.00 0.00 O ATOM 232 CB ILE A 17 1.532 -5.920 6.768 1.00 0.00 C ATOM 233 CG1 ILE A 17 0.844 -5.452 8.048 1.00 0.00 C ATOM 234 CG2 ILE A 17 2.128 -4.752 5.976 1.00 0.00 C ATOM 235 CD1 ILE A 17 1.828 -4.720 8.964 1.00 0.00 C ATOM 0 H ILE A 17 -1.360 -6.019 6.250 1.00 0.00 H new ATOM 0 HA ILE A 17 1.134 -6.989 4.998 1.00 0.00 H new ATOM 0 HB ILE A 17 2.360 -6.563 7.065 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.014 -4.791 7.798 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.422 -6.309 8.573 1.00 0.00 H new ATOM 0 HG21 ILE A 17 2.804 -4.185 6.616 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.679 -5.138 5.118 1.00 0.00 H new ATOM 0 HG23 ILE A 17 1.326 -4.101 5.629 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.312 -4.397 9.868 1.00 0.00 H new ATOM 0 HD12 ILE A 17 2.644 -5.391 9.232 1.00 0.00 H new ATOM 0 HD13 ILE A 17 2.229 -3.850 8.445 1.00 0.00 H new ATOM 247 N ARG A 18 1.136 -8.904 6.796 1.00 0.00 N ATOM 248 CA ARG A 18 0.876 -10.200 7.404 1.00 0.00 C ATOM 249 C ARG A 18 0.836 -10.072 8.928 1.00 0.00 C ATOM 250 O ARG A 18 1.204 -9.036 9.476 1.00 0.00 O ATOM 251 CB ARG A 18 1.948 -11.216 7.012 1.00 0.00 C ATOM 252 CG ARG A 18 3.344 -10.712 7.380 1.00 0.00 C ATOM 253 CD ARG A 18 4.340 -11.872 7.472 1.00 0.00 C ATOM 254 NE ARG A 18 5.320 -11.612 8.548 1.00 0.00 N ATOM 255 CZ ARG A 18 6.236 -12.500 8.960 1.00 0.00 C ATOM 256 NH1 ARG A 18 6.300 -13.708 8.392 1.00 0.00 N ATOM 257 NH2 ARG A 18 7.084 -12.176 9.944 1.00 0.00 N ATOM 0 H ARG A 18 2.119 -8.716 6.597 1.00 0.00 H new ATOM 0 HA ARG A 18 -0.090 -10.550 7.040 1.00 0.00 H new ATOM 0 HB2 ARG A 18 1.756 -12.164 7.514 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.898 -11.407 5.940 1.00 0.00 H new ATOM 0 HG2 ARG A 18 3.684 -9.994 6.633 1.00 0.00 H new ATOM 0 HG3 ARG A 18 3.305 -10.185 8.333 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.809 -12.803 7.669 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.857 -11.995 6.520 1.00 0.00 H new ATOM 0 HE ARG A 18 5.298 -10.700 9.005 1.00 0.00 H new ATOM 0 HH11 ARG A 18 5.652 -13.955 7.644 1.00 0.00 H new ATOM 0 HH12 ARG A 18 6.997 -14.383 8.706 1.00 0.00 H new ATOM 0 HH21 ARG A 18 7.032 -11.255 10.379 1.00 0.00 H new ATOM 0 HH22 ARG A 18 7.782 -12.850 10.259 1.00 0.00 H new ATOM 271 N ALA A 19 0.388 -11.144 9.568 1.00 0.00 N ATOM 272 CA ALA A 19 0.292 -11.164 11.016 1.00 0.00 C ATOM 273 C ALA A 19 1.504 -11.904 11.588 1.00 0.00 C ATOM 274 O ALA A 19 1.992 -12.860 10.992 1.00 0.00 O ATOM 275 CB ALA A 19 -1.032 -11.804 11.436 1.00 0.00 C ATOM 0 H ALA A 19 0.088 -12.004 9.109 1.00 0.00 H new ATOM 0 HA ALA A 19 0.301 -10.150 11.415 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.101 -11.817 12.524 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.861 -11.227 11.027 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.079 -12.825 11.057 1.00 0.00 H new ATOM 281 N GLY A 20 1.956 -11.428 12.740 1.00 0.00 N ATOM 282 CA GLY A 20 3.100 -12.032 13.400 1.00 0.00 C ATOM 283 C GLY A 20 2.708 -12.616 14.760 1.00 0.00 C ATOM 284 O GLY A 20 2.456 -13.812 14.876 1.00 0.00 O ATOM 0 H GLY A 20 1.550 -10.632 13.232 1.00 0.00 H new ATOM 0 HA2 GLY A 20 3.514 -12.818 12.769 1.00 0.00 H new ATOM 0 HA3 GLY A 20 3.883 -11.285 13.534 1.00 0.00 H new ATOM 288 N ASP A 21 2.664 -11.740 15.752 1.00 0.00 N ATOM 289 CA ASP A 21 2.304 -12.152 17.100 1.00 0.00 C ATOM 290 C ASP A 21 2.348 -10.940 18.028 1.00 0.00 C ATOM 291 O ASP A 21 3.296 -10.156 17.992 1.00 0.00 O ATOM 292 CB ASP A 21 3.284 -13.196 17.636 1.00 0.00 C ATOM 293 CG ASP A 21 2.640 -14.368 18.376 1.00 0.00 C ATOM 294 OD1 ASP A 21 1.520 -14.172 18.888 1.00 0.00 O ATOM 295 OD2 ASP A 21 3.288 -15.440 18.416 1.00 0.00 O ATOM 0 H ASP A 21 2.871 -10.746 15.651 1.00 0.00 H new ATOM 0 HA ASP A 21 1.303 -12.582 17.065 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.866 -13.588 16.802 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.985 -12.702 18.309 1.00 0.00 H new ATOM 300 N LEU A 22 1.308 -10.820 18.844 1.00 0.00 N ATOM 301 CA LEU A 22 1.216 -9.712 19.780 1.00 0.00 C ATOM 302 C LEU A 22 1.048 -8.404 19.008 1.00 0.00 C ATOM 303 O LEU A 22 1.296 -7.324 19.544 1.00 0.00 O ATOM 304 CB LEU A 22 2.412 -9.716 20.732 1.00 0.00 C ATOM 305 CG LEU A 22 2.228 -10.484 22.044 1.00 0.00 C ATOM 306 CD1 LEU A 22 3.116 -11.728 22.076 1.00 0.00 C ATOM 307 CD2 LEU A 22 2.464 -9.576 23.252 1.00 0.00 C ATOM 0 H LEU A 22 0.524 -11.471 18.875 1.00 0.00 H new ATOM 0 HA LEU A 22 0.334 -9.821 20.411 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.268 -10.138 20.205 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.663 -8.683 20.972 1.00 0.00 H new ATOM 0 HG LEU A 22 1.194 -10.824 22.100 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.968 -12.257 23.018 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.853 -12.384 21.246 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.161 -11.431 21.987 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.327 -10.148 24.170 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.480 -9.183 23.218 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.754 -8.749 23.230 1.00 0.00 H new ATOM 319 N VAL A 23 0.628 -8.544 17.756 1.00 0.00 N ATOM 320 CA VAL A 23 0.424 -7.384 16.904 1.00 0.00 C ATOM 321 C VAL A 23 -0.904 -6.720 17.264 1.00 0.00 C ATOM 322 O VAL A 23 -1.168 -5.588 16.856 1.00 0.00 O ATOM 323 CB VAL A 23 0.508 -7.800 15.432 1.00 0.00 C ATOM 324 CG1 VAL A 23 -0.520 -7.036 14.592 1.00 0.00 C ATOM 325 CG2 VAL A 23 1.920 -7.600 14.884 1.00 0.00 C ATOM 0 H VAL A 23 0.424 -9.440 17.314 1.00 0.00 H new ATOM 0 HA VAL A 23 1.209 -6.645 17.066 1.00 0.00 H new ATOM 0 HB VAL A 23 0.274 -8.863 15.369 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.442 -7.347 13.550 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.523 -7.250 14.961 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.327 -5.966 14.666 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.950 -7.903 13.837 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.196 -6.549 14.965 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.622 -8.205 15.458 1.00 0.00 H new ATOM 335 N GLU A 24 -1.708 -7.444 18.028 1.00 0.00 N ATOM 336 CA GLU A 24 -3.004 -6.940 18.448 1.00 0.00 C ATOM 337 C GLU A 24 -2.828 -5.864 19.520 1.00 0.00 C ATOM 338 O GLU A 24 -3.268 -4.728 19.344 1.00 0.00 O ATOM 339 CB GLU A 24 -3.900 -8.072 18.944 1.00 0.00 C ATOM 340 CG GLU A 24 -5.148 -8.212 18.072 1.00 0.00 C ATOM 341 CD GLU A 24 -6.260 -8.952 18.816 1.00 0.00 C ATOM 342 OE1 GLU A 24 -6.276 -8.844 20.064 1.00 0.00 O ATOM 343 OE2 GLU A 24 -7.072 -9.604 18.124 1.00 0.00 O ATOM 0 H GLU A 24 -1.486 -8.380 18.368 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.496 -6.490 17.586 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.343 -9.009 18.939 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.194 -7.881 19.976 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -5.500 -7.224 17.775 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -4.898 -8.750 17.158 1.00 0.00 H new ATOM 350 N PRO A 25 -2.172 -6.268 20.640 1.00 0.00 N ATOM 351 CA PRO A 25 -1.932 -5.356 21.744 1.00 0.00 C ATOM 352 C PRO A 25 -0.816 -4.364 21.404 1.00 0.00 C ATOM 353 O PRO A 25 -0.612 -3.384 22.116 1.00 0.00 O ATOM 354 CB PRO A 25 -1.596 -6.244 22.928 1.00 0.00 C ATOM 355 CG PRO A 25 -1.204 -7.592 22.340 1.00 0.00 C ATOM 356 CD PRO A 25 -1.636 -7.608 20.884 1.00 0.00 C ATOM 0 HA PRO A 25 -2.798 -4.732 21.967 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -0.780 -5.821 23.514 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.451 -6.343 23.597 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -0.128 -7.745 22.421 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -1.683 -8.402 22.889 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -0.796 -7.824 20.224 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -2.389 -8.375 20.703 1.00 0.00 H new ATOM 364 N VAL A 26 -0.124 -4.656 20.312 1.00 0.00 N ATOM 365 CA VAL A 26 0.968 -3.804 19.868 1.00 0.00 C ATOM 366 C VAL A 26 0.412 -2.704 18.964 1.00 0.00 C ATOM 367 O VAL A 26 0.784 -1.536 19.100 1.00 0.00 O ATOM 368 CB VAL A 26 2.048 -4.648 19.192 1.00 0.00 C ATOM 369 CG1 VAL A 26 2.908 -3.792 18.260 1.00 0.00 C ATOM 370 CG2 VAL A 26 2.916 -5.364 20.232 1.00 0.00 C ATOM 0 H VAL A 26 -0.298 -5.470 19.722 1.00 0.00 H new ATOM 0 HA VAL A 26 1.444 -3.316 20.718 1.00 0.00 H new ATOM 0 HB VAL A 26 1.551 -5.407 18.589 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.669 -4.416 17.791 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.278 -3.348 17.489 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.391 -3.001 18.834 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.676 -5.958 19.725 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.399 -4.626 20.873 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.291 -6.018 20.840 1.00 0.00 H new ATOM 380 N ILE A 27 -0.464 -3.112 18.056 1.00 0.00 N ATOM 381 CA ILE A 27 -1.072 -2.176 17.128 1.00 0.00 C ATOM 382 C ILE A 27 -1.960 -1.200 17.904 1.00 0.00 C ATOM 383 O ILE A 27 -1.984 -0.004 17.608 1.00 0.00 O ATOM 384 CB ILE A 27 -1.808 -2.924 16.016 1.00 0.00 C ATOM 385 CG1 ILE A 27 -2.024 -2.028 14.796 1.00 0.00 C ATOM 386 CG2 ILE A 27 -3.124 -3.516 16.532 1.00 0.00 C ATOM 387 CD1 ILE A 27 -0.716 -1.824 14.032 1.00 0.00 C ATOM 0 H ILE A 27 -0.766 -4.080 17.944 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.305 -1.584 16.628 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.182 -3.756 15.695 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -2.768 -2.476 14.138 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -2.419 -1.063 15.114 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.628 -4.043 15.722 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.916 -4.213 17.344 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -3.765 -2.714 16.898 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.895 -1.183 13.169 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.018 -1.354 14.686 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.337 -2.789 13.695 1.00 0.00 H new ATOM 399 N GLU A 28 -2.668 -1.740 18.884 1.00 0.00 N ATOM 400 CA GLU A 28 -3.552 -0.932 19.704 1.00 0.00 C ATOM 401 C GLU A 28 -2.744 0.072 20.528 1.00 0.00 C ATOM 402 O GLU A 28 -3.120 1.240 20.632 1.00 0.00 O ATOM 403 CB GLU A 28 -4.420 -1.812 20.608 1.00 0.00 C ATOM 404 CG GLU A 28 -5.888 -1.400 20.528 1.00 0.00 C ATOM 405 CD GLU A 28 -6.404 -0.936 21.896 1.00 0.00 C ATOM 406 OE1 GLU A 28 -5.768 -0.020 22.460 1.00 0.00 O ATOM 407 OE2 GLU A 28 -7.420 -1.508 22.340 1.00 0.00 O ATOM 0 H GLU A 28 -2.647 -2.730 19.129 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.219 -0.377 19.045 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.315 -2.856 20.314 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.073 -1.735 21.638 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -6.005 -0.597 19.800 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.486 -2.240 20.175 1.00 0.00 H new ATOM 414 N THR A 29 -1.648 -0.420 21.092 1.00 0.00 N ATOM 415 CA THR A 29 -0.784 0.420 21.900 1.00 0.00 C ATOM 416 C THR A 29 -0.024 1.412 21.020 1.00 0.00 C ATOM 417 O THR A 29 0.328 2.504 21.464 1.00 0.00 O ATOM 418 CB THR A 29 0.128 -0.492 22.720 1.00 0.00 C ATOM 419 OG1 THR A 29 -0.768 -1.272 23.504 1.00 0.00 O ATOM 420 CG2 THR A 29 0.956 0.280 23.752 1.00 0.00 C ATOM 0 H THR A 29 -1.341 -1.389 21.004 1.00 0.00 H new ATOM 0 HA THR A 29 -1.363 1.032 22.592 1.00 0.00 H new ATOM 0 HB THR A 29 0.797 -1.031 22.049 1.00 0.00 H new ATOM 0 HG1 THR A 29 -1.136 -1.997 22.956 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.586 -0.415 24.307 1.00 0.00 H new ATOM 0 HG22 THR A 29 1.584 1.011 23.242 1.00 0.00 H new ATOM 0 HG23 THR A 29 0.288 0.795 24.443 1.00 0.00 H new ATOM 428 N ALA A 30 0.212 0.992 19.784 1.00 0.00 N ATOM 429 CA ALA A 30 0.928 1.832 18.832 1.00 0.00 C ATOM 430 C ALA A 30 -0.024 2.892 18.280 1.00 0.00 C ATOM 431 O ALA A 30 0.416 3.876 17.684 1.00 0.00 O ATOM 432 CB ALA A 30 1.528 0.956 17.732 1.00 0.00 C ATOM 0 H ALA A 30 -0.078 0.085 19.419 1.00 0.00 H new ATOM 0 HA ALA A 30 1.752 2.352 19.320 1.00 0.00 H new ATOM 0 HB1 ALA A 30 2.064 1.583 17.019 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.219 0.238 18.175 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.730 0.421 17.217 1.00 0.00 H new ATOM 438 N GLU A 31 -1.312 2.660 18.496 1.00 0.00 N ATOM 439 CA GLU A 31 -2.328 3.584 18.024 1.00 0.00 C ATOM 440 C GLU A 31 -2.556 4.692 19.056 1.00 0.00 C ATOM 441 O GLU A 31 -2.788 5.844 18.692 1.00 0.00 O ATOM 442 CB GLU A 31 -3.632 2.848 17.708 1.00 0.00 C ATOM 443 CG GLU A 31 -3.504 2.028 16.424 1.00 0.00 C ATOM 444 CD GLU A 31 -3.960 2.836 15.208 1.00 0.00 C ATOM 445 OE1 GLU A 31 -4.580 3.900 15.432 1.00 0.00 O ATOM 446 OE2 GLU A 31 -3.684 2.376 14.080 1.00 0.00 O ATOM 0 H GLU A 31 -1.674 1.845 18.992 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.977 4.043 17.100 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.893 2.191 18.538 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -4.444 3.568 17.604 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -2.468 1.716 16.290 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.102 1.121 16.507 1.00 0.00 H new ATOM 453 N ILE A 32 -2.488 4.300 20.320 1.00 0.00 N ATOM 454 CA ILE A 32 -2.684 5.244 21.408 1.00 0.00 C ATOM 455 C ILE A 32 -1.512 6.228 21.444 1.00 0.00 C ATOM 456 O ILE A 32 -1.684 7.396 21.784 1.00 0.00 O ATOM 457 CB ILE A 32 -2.908 4.504 22.728 1.00 0.00 C ATOM 458 CG1 ILE A 32 -1.596 3.916 23.252 1.00 0.00 C ATOM 459 CG2 ILE A 32 -3.996 3.436 22.580 1.00 0.00 C ATOM 460 CD1 ILE A 32 -1.680 3.660 24.760 1.00 0.00 C ATOM 0 H ILE A 32 -2.300 3.342 20.615 1.00 0.00 H new ATOM 0 HA ILE A 32 -3.587 5.831 21.243 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.260 5.222 23.469 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.376 2.984 22.732 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.775 4.601 23.040 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -4.136 2.925 23.532 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.932 3.909 22.281 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.696 2.714 21.821 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.737 3.242 25.111 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.876 4.599 25.278 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.487 2.957 24.965 1.00 0.00 H new ATOM 472 N ASP A 33 -0.344 5.716 21.088 1.00 0.00 N ATOM 473 CA ASP A 33 0.860 6.532 21.072 1.00 0.00 C ATOM 474 C ASP A 33 0.684 7.676 20.072 1.00 0.00 C ATOM 475 O ASP A 33 1.312 8.724 20.204 1.00 0.00 O ATOM 476 CB ASP A 33 2.080 5.712 20.648 1.00 0.00 C ATOM 477 CG ASP A 33 3.424 6.252 21.132 1.00 0.00 C ATOM 478 OD1 ASP A 33 3.804 5.900 22.268 1.00 0.00 O ATOM 479 OD2 ASP A 33 4.044 7.012 20.356 1.00 0.00 O ATOM 0 H ASP A 33 -0.204 4.745 20.808 1.00 0.00 H new ATOM 0 HA ASP A 33 1.019 6.915 22.080 1.00 0.00 H new ATOM 0 HB2 ASP A 33 1.961 4.694 21.018 1.00 0.00 H new ATOM 0 HB3 ASP A 33 2.100 5.655 19.560 1.00 0.00 H new ATOM 484 N ASN A 34 -0.172 7.432 19.088 1.00 0.00 N ATOM 485 CA ASN A 34 -0.440 8.428 18.064 1.00 0.00 C ATOM 486 C ASN A 34 -1.860 8.968 18.244 1.00 0.00 C ATOM 487 O ASN A 34 -2.748 8.248 18.696 1.00 0.00 O ATOM 488 CB ASN A 34 -0.336 7.820 16.664 1.00 0.00 C ATOM 489 CG ASN A 34 0.740 8.520 15.840 1.00 0.00 C ATOM 490 OD1 ASN A 34 0.556 8.844 14.676 1.00 0.00 O ATOM 491 ND2 ASN A 34 1.872 8.740 16.500 1.00 0.00 N ATOM 0 H ASN A 34 -0.688 6.559 18.979 1.00 0.00 H new ATOM 0 HA ASN A 34 0.297 9.224 18.165 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -0.105 6.758 16.742 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -1.297 7.901 16.157 1.00 0.00 H new ATOM 0 HD21 ASN A 34 2.652 9.205 16.035 1.00 0.00 H new ATOM 0 HD22 ASN A 34 1.961 8.444 17.472 1.00 0.00 H new ATOM 498 N PRO A 35 -2.032 10.264 17.868 1.00 0.00 N ATOM 499 CA PRO A 35 -3.328 10.908 17.984 1.00 0.00 C ATOM 500 C PRO A 35 -4.276 10.432 16.884 1.00 0.00 C ATOM 501 O PRO A 35 -4.852 11.236 16.156 1.00 0.00 O ATOM 502 CB PRO A 35 -3.032 12.396 17.904 1.00 0.00 C ATOM 503 CG PRO A 35 -1.648 12.516 17.288 1.00 0.00 C ATOM 504 CD PRO A 35 -1.000 11.144 17.332 1.00 0.00 C ATOM 0 HA PRO A 35 -3.838 10.663 18.915 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -3.776 12.909 17.295 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -3.060 12.853 18.893 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -1.717 12.873 16.260 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -1.047 13.240 17.838 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.683 10.824 16.339 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -0.113 11.145 17.965 1.00 0.00 H new ATOM 512 N GLY A 36 -4.412 9.116 16.796 1.00 0.00 N ATOM 513 CA GLY A 36 -5.284 8.520 15.796 1.00 0.00 C ATOM 514 C GLY A 36 -6.664 8.216 16.384 1.00 0.00 C ATOM 515 O GLY A 36 -7.084 7.064 16.432 1.00 0.00 O ATOM 0 H GLY A 36 -3.934 8.447 17.399 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -5.387 9.197 14.948 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.835 7.601 15.418 1.00 0.00 H new ATOM 519 N LYS A 37 -7.336 9.276 16.812 1.00 0.00 N ATOM 520 CA LYS A 37 -8.660 9.140 17.392 1.00 0.00 C ATOM 521 C LYS A 37 -9.700 9.088 16.272 1.00 0.00 C ATOM 522 O LYS A 37 -10.716 9.776 16.328 1.00 0.00 O ATOM 523 CB LYS A 37 -8.912 10.252 18.416 1.00 0.00 C ATOM 524 CG LYS A 37 -8.540 11.616 17.840 1.00 0.00 C ATOM 525 CD LYS A 37 -7.128 12.024 18.268 1.00 0.00 C ATOM 526 CE LYS A 37 -7.164 13.236 19.200 1.00 0.00 C ATOM 527 NZ LYS A 37 -5.824 13.480 19.784 1.00 0.00 N ATOM 0 H LYS A 37 -6.987 10.233 16.768 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.740 8.204 17.945 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -9.962 10.251 18.710 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -8.329 10.062 19.317 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.599 11.584 16.752 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.257 12.365 18.177 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -6.642 11.189 18.771 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -6.530 12.257 17.387 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -7.493 14.117 18.649 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -7.890 13.069 19.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.865 14.306 20.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.525 12.645 20.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.140 13.660 19.021 1.00 0.00 H new ATOM 541 N GLU A 38 -9.408 8.260 15.280 1.00 0.00 N ATOM 542 CA GLU A 38 -10.308 8.104 14.148 1.00 0.00 C ATOM 543 C GLU A 38 -9.720 7.116 13.136 1.00 0.00 C ATOM 544 O GLU A 38 -9.692 7.392 11.940 1.00 0.00 O ATOM 545 CB GLU A 38 -10.592 9.456 13.488 1.00 0.00 C ATOM 546 CG GLU A 38 -9.296 10.176 13.124 1.00 0.00 C ATOM 547 CD GLU A 38 -9.528 11.676 12.964 1.00 0.00 C ATOM 548 OE1 GLU A 38 -10.704 12.052 12.772 1.00 0.00 O ATOM 549 OE2 GLU A 38 -8.524 12.416 13.040 1.00 0.00 O ATOM 0 H GLU A 38 -8.563 7.691 15.236 1.00 0.00 H new ATOM 0 HA GLU A 38 -11.255 7.704 14.511 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -11.192 9.307 12.591 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -11.179 10.078 14.164 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.549 10.001 13.898 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.896 9.766 12.197 1.00 0.00 H new ATOM 556 N ILE A 39 -9.272 5.984 13.660 1.00 0.00 N ATOM 557 CA ILE A 39 -8.688 4.952 12.816 1.00 0.00 C ATOM 558 C ILE A 39 -9.400 3.624 13.080 1.00 0.00 C ATOM 559 O ILE A 39 -9.872 3.380 14.192 1.00 0.00 O ATOM 560 CB ILE A 39 -7.172 4.888 13.020 1.00 0.00 C ATOM 561 CG1 ILE A 39 -6.464 5.944 12.172 1.00 0.00 C ATOM 562 CG2 ILE A 39 -6.644 3.480 12.744 1.00 0.00 C ATOM 563 CD1 ILE A 39 -5.716 6.944 13.052 1.00 0.00 C ATOM 0 H ILE A 39 -9.301 5.758 14.654 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.835 5.191 11.763 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.954 5.114 14.064 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.764 5.459 11.491 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -7.194 6.471 11.557 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.565 3.460 12.896 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -7.119 2.773 13.424 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.871 3.201 11.715 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.222 7.684 12.423 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -6.422 7.445 13.715 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.970 6.418 13.648 1.00 0.00 H new ATOM 575 N THR A 40 -9.452 2.800 12.044 1.00 0.00 N ATOM 576 CA THR A 40 -10.100 1.504 12.148 1.00 0.00 C ATOM 577 C THR A 40 -9.120 0.388 11.776 1.00 0.00 C ATOM 578 O THR A 40 -8.612 0.352 10.656 1.00 0.00 O ATOM 579 CB THR A 40 -11.356 1.528 11.276 1.00 0.00 C ATOM 580 OG1 THR A 40 -12.280 2.316 12.020 1.00 0.00 O ATOM 581 CG2 THR A 40 -12.028 0.156 11.180 1.00 0.00 C ATOM 0 H THR A 40 -9.055 3.005 11.127 1.00 0.00 H new ATOM 0 HA THR A 40 -10.407 1.297 13.173 1.00 0.00 H new ATOM 0 HB THR A 40 -11.097 1.876 10.276 1.00 0.00 H new ATOM 0 HG1 THR A 40 -13.123 2.385 11.526 1.00 0.00 H new ATOM 0 HG21 THR A 40 -12.914 0.228 10.550 1.00 0.00 H new ATOM 0 HG22 THR A 40 -11.331 -0.561 10.745 1.00 0.00 H new ATOM 0 HG23 THR A 40 -12.318 -0.178 12.176 1.00 0.00 H new ATOM 589 N VAL A 41 -8.888 -0.496 12.736 1.00 0.00 N ATOM 590 CA VAL A 41 -7.976 -1.608 12.520 1.00 0.00 C ATOM 591 C VAL A 41 -8.788 -2.868 12.212 1.00 0.00 C ATOM 592 O VAL A 41 -9.872 -3.064 12.756 1.00 0.00 O ATOM 593 CB VAL A 41 -7.056 -1.772 13.732 1.00 0.00 C ATOM 594 CG1 VAL A 41 -6.040 -2.892 13.500 1.00 0.00 C ATOM 595 CG2 VAL A 41 -6.356 -0.452 14.068 1.00 0.00 C ATOM 0 H VAL A 41 -9.314 -0.466 13.662 1.00 0.00 H new ATOM 0 HA VAL A 41 -7.331 -1.416 11.663 1.00 0.00 H new ATOM 0 HB VAL A 41 -7.670 -2.052 14.588 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.398 -2.988 14.376 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -6.566 -3.831 13.331 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -5.431 -2.655 12.628 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.708 -0.594 14.933 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.758 -0.130 13.215 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -7.103 0.308 14.295 1.00 0.00 H new ATOM 605 N GLU A 42 -8.228 -3.692 11.340 1.00 0.00 N ATOM 606 CA GLU A 42 -8.884 -4.928 10.952 1.00 0.00 C ATOM 607 C GLU A 42 -7.892 -6.092 10.996 1.00 0.00 C ATOM 608 O GLU A 42 -7.452 -6.580 9.952 1.00 0.00 O ATOM 609 CB GLU A 42 -9.520 -4.804 9.564 1.00 0.00 C ATOM 610 CG GLU A 42 -11.020 -4.528 9.672 1.00 0.00 C ATOM 611 CD GLU A 42 -11.828 -5.612 8.952 1.00 0.00 C ATOM 612 OE1 GLU A 42 -11.352 -6.768 8.952 1.00 0.00 O ATOM 613 OE2 GLU A 42 -12.900 -5.260 8.416 1.00 0.00 O ATOM 0 H GLU A 42 -7.327 -3.528 10.891 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.684 -5.128 11.665 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -9.037 -3.999 9.009 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -9.355 -5.723 9.001 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -11.312 -4.488 10.721 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.247 -3.553 9.241 1.00 0.00 H new ATOM 620 N ASP A 43 -7.568 -6.508 12.212 1.00 0.00 N ATOM 621 CA ASP A 43 -6.636 -7.604 12.404 1.00 0.00 C ATOM 622 C ASP A 43 -7.416 -8.904 12.592 1.00 0.00 C ATOM 623 O ASP A 43 -8.020 -9.128 13.640 1.00 0.00 O ATOM 624 CB ASP A 43 -5.776 -7.384 13.652 1.00 0.00 C ATOM 625 CG ASP A 43 -4.848 -6.172 13.592 1.00 0.00 C ATOM 626 OD1 ASP A 43 -4.964 -5.412 12.608 1.00 0.00 O ATOM 627 OD2 ASP A 43 -4.040 -6.028 14.536 1.00 0.00 O ATOM 0 H ASP A 43 -7.935 -6.105 13.074 1.00 0.00 H new ATOM 0 HA ASP A 43 -5.992 -7.656 11.526 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -6.434 -7.276 14.514 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -5.173 -8.276 13.821 1.00 0.00 H new ATOM 632 N ARG A 44 -7.384 -9.732 11.556 1.00 0.00 N ATOM 633 CA ARG A 44 -8.080 -11.004 11.592 1.00 0.00 C ATOM 634 C ARG A 44 -7.252 -12.044 12.352 1.00 0.00 C ATOM 635 O ARG A 44 -7.716 -12.620 13.332 1.00 0.00 O ATOM 636 CB ARG A 44 -8.364 -11.520 10.180 1.00 0.00 C ATOM 637 CG ARG A 44 -9.188 -12.808 10.220 1.00 0.00 C ATOM 638 CD ARG A 44 -10.648 -12.516 10.556 1.00 0.00 C ATOM 639 NE ARG A 44 -11.260 -13.688 11.224 1.00 0.00 N ATOM 640 CZ ARG A 44 -12.568 -13.800 11.496 1.00 0.00 C ATOM 641 NH1 ARG A 44 -13.408 -12.812 11.160 1.00 0.00 N ATOM 642 NH2 ARG A 44 -13.032 -14.900 12.104 1.00 0.00 N ATOM 0 H ARG A 44 -6.885 -9.544 10.686 1.00 0.00 H new ATOM 0 HA ARG A 44 -9.029 -10.846 12.105 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -8.900 -10.759 9.612 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -7.424 -11.702 9.660 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -9.127 -13.312 9.256 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -8.770 -13.488 10.962 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -10.712 -11.643 11.205 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -11.198 -12.278 9.646 1.00 0.00 H new ATOM 0 HE ARG A 44 -10.648 -14.458 11.494 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -13.052 -11.975 10.698 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -14.403 -12.896 11.367 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -12.390 -15.651 12.359 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -14.027 -14.987 12.312 1.00 0.00 H new ATOM 656 N ARG A 45 -6.036 -12.256 11.864 1.00 0.00 N ATOM 657 CA ARG A 45 -5.140 -13.212 12.484 1.00 0.00 C ATOM 658 C ARG A 45 -4.024 -13.600 11.508 1.00 0.00 C ATOM 659 O ARG A 45 -2.848 -13.608 11.876 1.00 0.00 O ATOM 660 CB ARG A 45 -5.892 -14.472 12.916 1.00 0.00 C ATOM 661 CG ARG A 45 -5.984 -14.560 14.440 1.00 0.00 C ATOM 662 CD ARG A 45 -5.752 -15.996 14.920 1.00 0.00 C ATOM 663 NE ARG A 45 -6.020 -16.092 16.372 1.00 0.00 N ATOM 664 CZ ARG A 45 -6.136 -17.248 17.044 1.00 0.00 C ATOM 665 NH1 ARG A 45 -6.004 -18.412 16.392 1.00 0.00 N ATOM 666 NH2 ARG A 45 -6.380 -17.236 18.360 1.00 0.00 N ATOM 0 H ARG A 45 -5.654 -11.781 11.047 1.00 0.00 H new ATOM 0 HA ARG A 45 -4.709 -12.741 13.367 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -6.894 -14.467 12.487 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -5.384 -15.354 12.527 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -5.246 -13.898 14.892 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -6.964 -14.216 14.770 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -6.403 -16.680 14.375 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -4.726 -16.297 14.710 1.00 0.00 H new ATOM 0 HE ARG A 45 -6.123 -15.223 16.896 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -5.816 -18.417 15.389 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -6.091 -19.293 16.899 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -6.478 -16.348 18.852 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -6.468 -18.115 18.870 1.00 0.00 H new ATOM 680 N ALA A 46 -4.432 -13.916 10.288 1.00 0.00 N ATOM 681 CA ALA A 46 -3.480 -14.304 9.260 1.00 0.00 C ATOM 682 C ALA A 46 -2.792 -13.052 8.712 1.00 0.00 C ATOM 683 O ALA A 46 -1.608 -13.092 8.368 1.00 0.00 O ATOM 684 CB ALA A 46 -4.208 -15.096 8.168 1.00 0.00 C ATOM 0 H ALA A 46 -5.407 -13.912 9.988 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.706 -14.951 9.674 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.497 -15.389 7.395 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.658 -15.988 8.604 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.988 -14.475 7.727 1.00 0.00 H new ATOM 690 N TYR A 47 -3.556 -11.972 8.648 1.00 0.00 N ATOM 691 CA TYR A 47 -3.028 -10.712 8.148 1.00 0.00 C ATOM 692 C TYR A 47 -3.408 -9.556 9.076 1.00 0.00 C ATOM 693 O TYR A 47 -4.228 -9.720 9.976 1.00 0.00 O ATOM 694 CB TYR A 47 -3.688 -10.492 6.784 1.00 0.00 C ATOM 695 CG TYR A 47 -3.540 -11.676 5.824 1.00 0.00 C ATOM 696 CD1 TYR A 47 -2.316 -11.944 5.244 1.00 0.00 C ATOM 697 CD2 TYR A 47 -4.628 -12.472 5.540 1.00 0.00 C ATOM 698 CE1 TYR A 47 -2.176 -13.056 4.340 1.00 0.00 C ATOM 699 CE2 TYR A 47 -4.488 -13.588 4.636 1.00 0.00 C ATOM 700 CZ TYR A 47 -3.268 -13.820 4.080 1.00 0.00 C ATOM 701 OH TYR A 47 -3.136 -14.872 3.228 1.00 0.00 O ATOM 0 H TYR A 47 -4.535 -11.942 8.933 1.00 0.00 H new ATOM 0 HA TYR A 47 -1.940 -10.746 8.086 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -4.748 -10.288 6.933 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -3.255 -9.605 6.321 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.464 -11.320 5.468 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -5.585 -12.261 5.994 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -1.225 -13.277 3.879 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.331 -14.223 4.406 1.00 0.00 H new ATOM 0 HH TYR A 47 -3.998 -15.329 3.137 1.00 0.00 H new ATOM 711 N VAL A 48 -2.788 -8.412 8.824 1.00 0.00 N ATOM 712 CA VAL A 48 -3.048 -7.228 9.624 1.00 0.00 C ATOM 713 C VAL A 48 -3.324 -6.044 8.700 1.00 0.00 C ATOM 714 O VAL A 48 -2.448 -5.616 7.948 1.00 0.00 O ATOM 715 CB VAL A 48 -1.880 -6.980 10.584 1.00 0.00 C ATOM 716 CG1 VAL A 48 -2.132 -5.736 11.444 1.00 0.00 C ATOM 717 CG2 VAL A 48 -1.616 -8.204 11.456 1.00 0.00 C ATOM 0 H VAL A 48 -2.106 -8.281 8.077 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.935 -7.370 10.241 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.987 -6.799 9.985 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.288 -5.582 12.117 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -2.246 -4.865 10.799 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -3.041 -5.876 12.028 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.782 -7.999 12.127 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -2.506 -8.432 12.042 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -1.371 -9.056 10.822 1.00 0.00 H new ATOM 727 N ARG A 49 -4.548 -5.540 8.780 1.00 0.00 N ATOM 728 CA ARG A 49 -4.952 -4.412 7.960 1.00 0.00 C ATOM 729 C ARG A 49 -5.272 -3.204 8.840 1.00 0.00 C ATOM 730 O ARG A 49 -5.728 -3.356 9.972 1.00 0.00 O ATOM 731 CB ARG A 49 -6.180 -4.760 7.116 1.00 0.00 C ATOM 732 CG ARG A 49 -6.832 -3.492 6.552 1.00 0.00 C ATOM 733 CD ARG A 49 -7.976 -3.844 5.600 1.00 0.00 C ATOM 734 NE ARG A 49 -8.132 -2.780 4.584 1.00 0.00 N ATOM 735 CZ ARG A 49 -9.224 -2.628 3.816 1.00 0.00 C ATOM 736 NH1 ARG A 49 -10.256 -3.468 3.948 1.00 0.00 N ATOM 737 NH2 ARG A 49 -9.276 -1.632 2.920 1.00 0.00 N ATOM 0 H ARG A 49 -5.274 -5.894 9.403 1.00 0.00 H new ATOM 0 HA ARG A 49 -4.123 -4.170 7.295 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.889 -5.419 6.298 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.902 -5.306 7.724 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -7.210 -2.878 7.370 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -6.085 -2.898 6.026 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -7.774 -4.798 5.112 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -8.903 -3.962 6.160 1.00 0.00 H new ATOM 0 HE ARG A 49 -7.363 -2.121 4.459 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -10.214 -4.224 4.632 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -11.085 -3.353 3.365 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -8.488 -0.992 2.823 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -10.104 -1.514 2.336 1.00 0.00 H new ATOM 751 N ILE A 50 -5.020 -2.028 8.288 1.00 0.00 N ATOM 752 CA ILE A 50 -5.272 -0.792 9.008 1.00 0.00 C ATOM 753 C ILE A 50 -5.948 0.212 8.072 1.00 0.00 C ATOM 754 O ILE A 50 -5.876 0.072 6.852 1.00 0.00 O ATOM 755 CB ILE A 50 -3.984 -0.264 9.644 1.00 0.00 C ATOM 756 CG1 ILE A 50 -3.048 -1.416 10.016 1.00 0.00 C ATOM 757 CG2 ILE A 50 -4.292 0.632 10.844 1.00 0.00 C ATOM 758 CD1 ILE A 50 -1.700 -0.888 10.512 1.00 0.00 C ATOM 0 H ILE A 50 -4.643 -1.904 7.348 1.00 0.00 H new ATOM 0 HA ILE A 50 -5.958 -0.972 9.836 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.466 0.351 8.908 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.510 -2.029 10.790 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -2.894 -2.059 9.149 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.359 0.994 11.277 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.894 1.481 10.519 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -4.842 0.062 11.592 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.053 -1.727 10.770 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.230 -0.295 9.727 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.855 -0.265 11.393 1.00 0.00 H new ATOM 770 N ALA A 51 -6.588 1.204 8.676 1.00 0.00 N ATOM 771 CA ALA A 51 -7.276 2.228 7.912 1.00 0.00 C ATOM 772 C ALA A 51 -7.296 3.528 8.712 1.00 0.00 C ATOM 773 O ALA A 51 -7.856 3.580 9.808 1.00 0.00 O ATOM 774 CB ALA A 51 -8.680 1.740 7.552 1.00 0.00 C ATOM 0 H ALA A 51 -6.643 1.319 9.688 1.00 0.00 H new ATOM 0 HA ALA A 51 -6.752 2.427 6.977 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -9.197 2.509 6.978 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -8.607 0.830 6.956 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -9.238 1.532 8.465 1.00 0.00 H new ATOM 780 N ALA A 52 -6.680 4.552 8.140 1.00 0.00 N ATOM 781 CA ALA A 52 -6.620 5.852 8.788 1.00 0.00 C ATOM 782 C ALA A 52 -7.168 6.916 7.836 1.00 0.00 C ATOM 783 O ALA A 52 -7.612 6.600 6.732 1.00 0.00 O ATOM 784 CB ALA A 52 -5.184 6.140 9.220 1.00 0.00 C ATOM 0 H ALA A 52 -6.217 4.508 7.232 1.00 0.00 H new ATOM 0 HA ALA A 52 -7.238 5.863 9.686 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -5.139 7.115 9.706 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.853 5.371 9.918 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.534 6.140 8.345 1.00 0.00 H new ATOM 790 N GLU A 53 -7.116 8.160 8.296 1.00 0.00 N ATOM 791 CA GLU A 53 -7.600 9.272 7.500 1.00 0.00 C ATOM 792 C GLU A 53 -6.732 9.452 6.252 1.00 0.00 C ATOM 793 O GLU A 53 -7.204 9.940 5.228 1.00 0.00 O ATOM 794 CB GLU A 53 -7.648 10.560 8.324 1.00 0.00 C ATOM 795 CG GLU A 53 -8.896 11.376 7.996 1.00 0.00 C ATOM 796 CD GLU A 53 -8.732 12.828 8.448 1.00 0.00 C ATOM 797 OE1 GLU A 53 -7.816 13.492 7.916 1.00 0.00 O ATOM 798 OE2 GLU A 53 -9.528 13.244 9.320 1.00 0.00 O ATOM 0 H GLU A 53 -6.746 8.419 9.210 1.00 0.00 H new ATOM 0 HA GLU A 53 -8.618 9.046 7.181 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -7.638 10.316 9.386 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.757 11.156 8.125 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -9.085 11.344 6.923 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -9.764 10.934 8.486 1.00 0.00 H new ATOM 805 N GLY A 54 -5.480 9.044 6.380 1.00 0.00 N ATOM 806 CA GLY A 54 -4.540 9.156 5.280 1.00 0.00 C ATOM 807 C GLY A 54 -3.156 9.580 5.776 1.00 0.00 C ATOM 808 O GLY A 54 -2.176 9.504 5.036 1.00 0.00 O ATOM 0 H GLY A 54 -5.094 8.634 7.231 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -4.466 8.200 4.762 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.908 9.883 4.556 1.00 0.00 H new ATOM 812 N GLU A 55 -3.120 10.020 7.028 1.00 0.00 N ATOM 813 CA GLU A 55 -1.876 10.456 7.632 1.00 0.00 C ATOM 814 C GLU A 55 -1.624 9.700 8.936 1.00 0.00 C ATOM 815 O GLU A 55 -2.468 9.708 9.836 1.00 0.00 O ATOM 816 CB GLU A 55 -1.880 11.968 7.864 1.00 0.00 C ATOM 817 CG GLU A 55 -0.816 12.368 8.888 1.00 0.00 C ATOM 818 CD GLU A 55 -0.804 13.880 9.100 1.00 0.00 C ATOM 819 OE1 GLU A 55 -1.524 14.568 8.344 1.00 0.00 O ATOM 820 OE2 GLU A 55 -0.072 14.320 10.016 1.00 0.00 O ATOM 0 H GLU A 55 -3.935 10.083 7.638 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.062 10.230 6.943 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.696 12.485 6.922 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -2.863 12.283 8.214 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.011 11.866 9.836 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.165 12.037 8.547 1.00 0.00 H new ATOM 827 N LEU A 56 -0.464 9.064 9.004 1.00 0.00 N ATOM 828 CA LEU A 56 -0.092 8.304 10.184 1.00 0.00 C ATOM 829 C LEU A 56 1.404 8.480 10.448 1.00 0.00 C ATOM 830 O LEU A 56 2.172 8.760 9.528 1.00 0.00 O ATOM 831 CB LEU A 56 -0.524 6.844 10.040 1.00 0.00 C ATOM 832 CG LEU A 56 -2.032 6.600 9.944 1.00 0.00 C ATOM 833 CD1 LEU A 56 -2.324 5.188 9.432 1.00 0.00 C ATOM 834 CD2 LEU A 56 -2.724 6.880 11.280 1.00 0.00 C ATOM 0 H LEU A 56 0.232 9.060 8.258 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.617 8.682 11.061 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.051 6.432 9.149 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.139 6.285 10.893 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.445 7.301 9.218 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.402 5.038 9.372 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.885 5.062 8.442 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.893 4.457 10.116 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -3.794 6.698 11.181 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.314 6.223 12.047 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.558 7.919 11.565 1.00 0.00 H new ATOM 846 N ILE A 57 1.776 8.304 11.708 1.00 0.00 N ATOM 847 CA ILE A 57 3.168 8.440 12.104 1.00 0.00 C ATOM 848 C ILE A 57 3.432 7.568 13.332 1.00 0.00 C ATOM 849 O ILE A 57 2.752 7.704 14.348 1.00 0.00 O ATOM 850 CB ILE A 57 3.528 9.912 12.304 1.00 0.00 C ATOM 851 CG1 ILE A 57 3.452 10.296 13.784 1.00 0.00 C ATOM 852 CG2 ILE A 57 2.652 10.816 11.432 1.00 0.00 C ATOM 853 CD1 ILE A 57 4.680 9.792 14.544 1.00 0.00 C ATOM 0 H ILE A 57 1.138 8.068 12.468 1.00 0.00 H new ATOM 0 HA ILE A 57 3.826 8.082 11.312 1.00 0.00 H new ATOM 0 HB ILE A 57 4.559 10.059 11.983 1.00 0.00 H new ATOM 0 HG12 ILE A 57 3.380 11.379 13.879 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.548 9.877 14.226 1.00 0.00 H new ATOM 0 HG21 ILE A 57 2.929 11.858 11.594 1.00 0.00 H new ATOM 0 HG22 ILE A 57 2.798 10.561 10.382 1.00 0.00 H new ATOM 0 HG23 ILE A 57 1.605 10.674 11.698 1.00 0.00 H new ATOM 0 HD11 ILE A 57 4.601 10.078 15.593 1.00 0.00 H new ATOM 0 HD12 ILE A 57 4.735 8.706 14.467 1.00 0.00 H new ATOM 0 HD13 ILE A 57 5.580 10.232 14.114 1.00 0.00 H new ATOM 865 N LEU A 58 4.416 6.692 13.196 1.00 0.00 N ATOM 866 CA LEU A 58 4.776 5.800 14.284 1.00 0.00 C ATOM 867 C LEU A 58 6.248 6.012 14.648 1.00 0.00 C ATOM 868 O LEU A 58 7.060 6.344 13.788 1.00 0.00 O ATOM 869 CB LEU A 58 4.436 4.352 13.924 1.00 0.00 C ATOM 870 CG LEU A 58 3.208 4.152 13.032 1.00 0.00 C ATOM 871 CD1 LEU A 58 3.340 2.880 12.192 1.00 0.00 C ATOM 872 CD2 LEU A 58 1.920 4.164 13.856 1.00 0.00 C ATOM 0 H LEU A 58 4.975 6.581 12.350 1.00 0.00 H new ATOM 0 HA LEU A 58 4.190 6.031 15.174 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.299 3.911 13.425 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.283 3.795 14.848 1.00 0.00 H new ATOM 0 HG LEU A 58 3.152 4.991 12.339 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.454 2.763 11.568 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.224 2.953 11.558 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.437 2.017 12.851 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.065 4.020 13.196 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.951 3.360 14.591 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.825 5.121 14.369 1.00 0.00 H new ATOM 884 N THR A 59 6.544 5.808 15.924 1.00 0.00 N ATOM 885 CA THR A 59 7.904 5.976 16.412 1.00 0.00 C ATOM 886 C THR A 59 8.264 4.852 17.384 1.00 0.00 C ATOM 887 O THR A 59 9.292 4.912 18.056 1.00 0.00 O ATOM 888 CB THR A 59 8.020 7.372 17.028 1.00 0.00 C ATOM 889 OG1 THR A 59 7.144 7.328 18.148 1.00 0.00 O ATOM 890 CG2 THR A 59 7.420 8.456 16.132 1.00 0.00 C ATOM 0 H THR A 59 5.867 5.528 16.634 1.00 0.00 H new ATOM 0 HA THR A 59 8.626 5.905 15.598 1.00 0.00 H new ATOM 0 HB THR A 59 9.068 7.599 17.223 1.00 0.00 H new ATOM 0 HG1 THR A 59 7.158 8.193 18.608 1.00 0.00 H new ATOM 0 HG21 THR A 59 7.528 9.428 16.614 1.00 0.00 H new ATOM 0 HG22 THR A 59 7.941 8.466 15.175 1.00 0.00 H new ATOM 0 HG23 THR A 59 6.363 8.248 15.967 1.00 0.00 H new ATOM 898 N ARG A 60 7.396 3.848 17.428 1.00 0.00 N ATOM 899 CA ARG A 60 7.608 2.712 18.308 1.00 0.00 C ATOM 900 C ARG A 60 8.484 1.664 17.620 1.00 0.00 C ATOM 901 O ARG A 60 8.196 0.472 17.680 1.00 0.00 O ATOM 902 CB ARG A 60 6.276 2.068 18.708 1.00 0.00 C ATOM 903 CG ARG A 60 5.820 2.564 20.080 1.00 0.00 C ATOM 904 CD ARG A 60 5.396 4.032 20.024 1.00 0.00 C ATOM 905 NE ARG A 60 6.572 4.908 20.220 1.00 0.00 N ATOM 906 CZ ARG A 60 7.044 5.272 21.416 1.00 0.00 C ATOM 907 NH1 ARG A 60 6.448 4.840 22.536 1.00 0.00 N ATOM 908 NH2 ARG A 60 8.116 6.072 21.500 1.00 0.00 N ATOM 0 H ARG A 60 6.545 3.800 16.868 1.00 0.00 H new ATOM 0 HA ARG A 60 8.107 3.077 19.205 1.00 0.00 H new ATOM 0 HB2 ARG A 60 5.516 2.301 17.962 1.00 0.00 H new ATOM 0 HB3 ARG A 60 6.383 0.983 18.726 1.00 0.00 H new ATOM 0 HG2 ARG A 60 4.987 1.955 20.431 1.00 0.00 H new ATOM 0 HG3 ARG A 60 6.629 2.444 20.801 1.00 0.00 H new ATOM 0 HD2 ARG A 60 4.928 4.247 19.063 1.00 0.00 H new ATOM 0 HD3 ARG A 60 4.651 4.233 20.793 1.00 0.00 H new ATOM 0 HE ARG A 60 7.053 5.256 19.390 1.00 0.00 H new ATOM 0 HH11 ARG A 60 5.632 4.231 22.477 1.00 0.00 H new ATOM 0 HH12 ARG A 60 6.811 5.120 23.447 1.00 0.00 H new ATOM 0 HH21 ARG A 60 8.573 6.404 20.650 1.00 0.00 H new ATOM 0 HH22 ARG A 60 8.475 6.349 22.414 1.00 0.00 H new ATOM 922 N LYS A 61 9.536 2.152 16.976 1.00 0.00 N ATOM 923 CA LYS A 61 10.460 1.272 16.280 1.00 0.00 C ATOM 924 C LYS A 61 11.116 0.324 17.284 1.00 0.00 C ATOM 925 O LYS A 61 11.652 -0.716 16.904 1.00 0.00 O ATOM 926 CB LYS A 61 11.464 2.088 15.460 1.00 0.00 C ATOM 927 CG LYS A 61 12.520 2.724 16.364 1.00 0.00 C ATOM 928 CD LYS A 61 13.824 1.924 16.332 1.00 0.00 C ATOM 929 CE LYS A 61 14.420 1.788 17.736 1.00 0.00 C ATOM 930 NZ LYS A 61 15.672 1.000 17.692 1.00 0.00 N ATOM 0 H LYS A 61 9.768 3.144 16.922 1.00 0.00 H new ATOM 0 HA LYS A 61 9.923 0.652 15.562 1.00 0.00 H new ATOM 0 HB2 LYS A 61 11.948 1.444 14.726 1.00 0.00 H new ATOM 0 HB3 LYS A 61 10.939 2.865 14.905 1.00 0.00 H new ATOM 0 HG2 LYS A 61 12.710 3.748 16.043 1.00 0.00 H new ATOM 0 HG3 LYS A 61 12.146 2.775 17.386 1.00 0.00 H new ATOM 0 HD2 LYS A 61 13.637 0.934 15.915 1.00 0.00 H new ATOM 0 HD3 LYS A 61 14.541 2.417 15.675 1.00 0.00 H new ATOM 0 HE2 LYS A 61 14.619 2.776 18.150 1.00 0.00 H new ATOM 0 HE3 LYS A 61 13.701 1.304 18.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 16.108 0.988 18.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 15.459 0.026 17.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 16.330 1.432 17.012 1.00 0.00 H new ATOM 944 N THR A 62 11.048 0.716 18.548 1.00 0.00 N ATOM 945 CA THR A 62 11.628 -0.088 19.612 1.00 0.00 C ATOM 946 C THR A 62 10.728 -1.280 19.928 1.00 0.00 C ATOM 947 O THR A 62 11.216 -2.348 20.300 1.00 0.00 O ATOM 948 CB THR A 62 11.876 0.828 20.812 1.00 0.00 C ATOM 949 OG1 THR A 62 12.528 -0.016 21.760 1.00 0.00 O ATOM 950 CG2 THR A 62 10.576 1.236 21.512 1.00 0.00 C ATOM 0 H THR A 62 10.601 1.578 18.859 1.00 0.00 H new ATOM 0 HA THR A 62 12.584 -0.517 19.312 1.00 0.00 H new ATOM 0 HB THR A 62 12.411 1.720 20.487 1.00 0.00 H new ATOM 0 HG1 THR A 62 12.728 0.497 22.571 1.00 0.00 H new ATOM 0 HG21 THR A 62 10.806 1.886 22.357 1.00 0.00 H new ATOM 0 HG22 THR A 62 9.936 1.768 20.809 1.00 0.00 H new ATOM 0 HG23 THR A 62 10.060 0.345 21.870 1.00 0.00 H new ATOM 958 N LEU A 63 9.432 -1.060 19.776 1.00 0.00 N ATOM 959 CA LEU A 63 8.456 -2.108 20.040 1.00 0.00 C ATOM 960 C LEU A 63 8.488 -3.128 18.904 1.00 0.00 C ATOM 961 O LEU A 63 8.392 -4.332 19.144 1.00 0.00 O ATOM 962 CB LEU A 63 7.072 -1.500 20.284 1.00 0.00 C ATOM 963 CG LEU A 63 5.892 -2.280 19.704 1.00 0.00 C ATOM 964 CD1 LEU A 63 4.644 -2.108 20.580 1.00 0.00 C ATOM 965 CD2 LEU A 63 5.632 -1.880 18.252 1.00 0.00 C ATOM 0 H LEU A 63 9.032 -0.172 19.473 1.00 0.00 H new ATOM 0 HA LEU A 63 8.710 -2.644 20.955 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.924 -1.400 21.359 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.059 -0.494 19.866 1.00 0.00 H new ATOM 0 HG LEU A 63 6.146 -3.340 19.704 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.816 -2.671 20.149 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.851 -2.478 21.584 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.377 -1.052 20.630 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.788 -2.449 17.863 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.405 -0.815 18.203 1.00 0.00 H new ATOM 0 HD23 LEU A 63 6.518 -2.090 17.653 1.00 0.00 H new ATOM 977 N GLU A 64 8.628 -2.616 17.692 1.00 0.00 N ATOM 978 CA GLU A 64 8.676 -3.468 16.516 1.00 0.00 C ATOM 979 C GLU A 64 10.020 -4.192 16.436 1.00 0.00 C ATOM 980 O GLU A 64 10.092 -5.332 15.984 1.00 0.00 O ATOM 981 CB GLU A 64 8.408 -2.664 15.244 1.00 0.00 C ATOM 982 CG GLU A 64 7.044 -3.012 14.648 1.00 0.00 C ATOM 983 CD GLU A 64 7.120 -3.128 13.124 1.00 0.00 C ATOM 984 OE1 GLU A 64 7.892 -3.996 12.660 1.00 0.00 O ATOM 985 OE2 GLU A 64 6.408 -2.344 12.460 1.00 0.00 O ATOM 0 H GLU A 64 8.710 -1.618 17.497 1.00 0.00 H new ATOM 0 HA GLU A 64 7.889 -4.217 16.604 1.00 0.00 H new ATOM 0 HB2 GLU A 64 8.448 -1.598 15.469 1.00 0.00 H new ATOM 0 HB3 GLU A 64 9.190 -2.865 14.512 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.689 -3.952 15.070 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.318 -2.246 14.921 1.00 0.00 H new ATOM 992 N GLU A 65 11.056 -3.496 16.888 1.00 0.00 N ATOM 993 CA GLU A 65 12.396 -4.056 16.872 1.00 0.00 C ATOM 994 C GLU A 65 12.548 -5.100 17.980 1.00 0.00 C ATOM 995 O GLU A 65 13.224 -6.108 17.800 1.00 0.00 O ATOM 996 CB GLU A 65 13.452 -2.956 17.004 1.00 0.00 C ATOM 997 CG GLU A 65 13.792 -2.352 15.640 1.00 0.00 C ATOM 998 CD GLU A 65 15.260 -1.932 15.576 1.00 0.00 C ATOM 999 OE1 GLU A 65 15.948 -2.112 16.604 1.00 0.00 O ATOM 1000 OE2 GLU A 65 15.660 -1.432 14.504 1.00 0.00 O ATOM 0 H GLU A 65 10.993 -2.551 17.267 1.00 0.00 H new ATOM 0 HA GLU A 65 12.552 -4.549 15.912 1.00 0.00 H new ATOM 0 HB2 GLU A 65 13.086 -2.175 17.670 1.00 0.00 H new ATOM 0 HB3 GLU A 65 14.354 -3.366 17.459 1.00 0.00 H new ATOM 0 HG2 GLU A 65 13.584 -3.079 14.855 1.00 0.00 H new ATOM 0 HG3 GLU A 65 13.155 -1.488 15.452 1.00 0.00 H new ATOM 1007 N GLN A 66 11.904 -4.816 19.104 1.00 0.00 N ATOM 1008 CA GLN A 66 11.960 -5.716 20.244 1.00 0.00 C ATOM 1009 C GLN A 66 11.232 -7.024 19.920 1.00 0.00 C ATOM 1010 O GLN A 66 11.768 -8.108 20.156 1.00 0.00 O ATOM 1011 CB GLN A 66 11.372 -5.060 21.492 1.00 0.00 C ATOM 1012 CG GLN A 66 12.444 -4.280 22.260 1.00 0.00 C ATOM 1013 CD GLN A 66 12.664 -4.876 23.652 1.00 0.00 C ATOM 1014 OE1 GLN A 66 12.360 -6.028 23.916 1.00 0.00 O ATOM 1015 NE2 GLN A 66 13.208 -4.028 24.520 1.00 0.00 N ATOM 0 H GLN A 66 11.342 -3.977 19.249 1.00 0.00 H new ATOM 0 HA GLN A 66 13.006 -5.942 20.452 1.00 0.00 H new ATOM 0 HB2 GLN A 66 10.563 -4.388 21.207 1.00 0.00 H new ATOM 0 HB3 GLN A 66 10.939 -5.823 22.139 1.00 0.00 H new ATOM 0 HG2 GLN A 66 13.380 -4.296 21.702 1.00 0.00 H new ATOM 0 HG3 GLN A 66 12.144 -3.236 22.351 1.00 0.00 H new ATOM 0 HE21 GLN A 66 13.437 -3.077 24.229 1.00 0.00 H new ATOM 0 HE22 GLN A 66 13.396 -4.328 25.476 1.00 0.00 H new ATOM 1024 N LEU A 67 10.028 -6.880 19.392 1.00 0.00 N ATOM 1025 CA LEU A 67 9.224 -8.036 19.032 1.00 0.00 C ATOM 1026 C LEU A 67 10.100 -9.052 18.296 1.00 0.00 C ATOM 1027 O LEU A 67 9.820 -10.252 18.320 1.00 0.00 O ATOM 1028 CB LEU A 67 7.984 -7.604 18.248 1.00 0.00 C ATOM 1029 CG LEU A 67 6.892 -6.896 19.048 1.00 0.00 C ATOM 1030 CD1 LEU A 67 5.956 -6.112 18.128 1.00 0.00 C ATOM 1031 CD2 LEU A 67 6.136 -7.880 19.936 1.00 0.00 C ATOM 0 H LEU A 67 9.588 -5.979 19.204 1.00 0.00 H new ATOM 0 HA LEU A 67 8.847 -8.532 19.926 1.00 0.00 H new ATOM 0 HB2 LEU A 67 8.302 -6.942 17.442 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.549 -8.488 17.782 1.00 0.00 H new ATOM 0 HG LEU A 67 7.369 -6.172 19.709 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.189 -5.618 18.725 1.00 0.00 H new ATOM 0 HD12 LEU A 67 6.528 -5.363 17.580 1.00 0.00 H new ATOM 0 HD13 LEU A 67 5.483 -6.795 17.422 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.365 -7.348 20.494 1.00 0.00 H new ATOM 0 HD22 LEU A 67 5.672 -8.647 19.316 1.00 0.00 H new ATOM 0 HD23 LEU A 67 6.830 -8.348 20.633 1.00 0.00 H new ATOM 1043 N GLY A 68 11.140 -8.536 17.660 1.00 0.00 N ATOM 1044 CA GLY A 68 12.056 -9.384 16.916 1.00 0.00 C ATOM 1045 C GLY A 68 13.432 -8.728 16.788 1.00 0.00 C ATOM 1046 O GLY A 68 13.864 -8.392 15.688 1.00 0.00 O ATOM 0 H GLY A 68 11.369 -7.542 17.644 1.00 0.00 H new ATOM 0 HA2 GLY A 68 12.154 -10.347 17.417 1.00 0.00 H new ATOM 0 HA3 GLY A 68 11.650 -9.581 15.924 1.00 0.00 H new ATOM 1050 N ARG A 69 14.080 -8.560 17.932 1.00 0.00 N ATOM 1051 CA ARG A 69 15.396 -7.944 17.964 1.00 0.00 C ATOM 1052 C ARG A 69 16.348 -8.684 17.024 1.00 0.00 C ATOM 1053 O ARG A 69 17.112 -8.060 16.288 1.00 0.00 O ATOM 1054 CB ARG A 69 15.976 -7.960 19.380 1.00 0.00 C ATOM 1055 CG ARG A 69 15.052 -7.228 20.360 1.00 0.00 C ATOM 1056 CD ARG A 69 15.544 -7.388 21.800 1.00 0.00 C ATOM 1057 NE ARG A 69 15.468 -6.088 22.504 1.00 0.00 N ATOM 1058 CZ ARG A 69 16.004 -5.856 23.712 1.00 0.00 C ATOM 1059 NH1 ARG A 69 16.656 -6.832 24.352 1.00 0.00 N ATOM 1060 NH2 ARG A 69 15.884 -4.648 24.276 1.00 0.00 N ATOM 0 H ARG A 69 13.718 -8.840 18.844 1.00 0.00 H new ATOM 0 HA ARG A 69 15.288 -6.909 17.639 1.00 0.00 H new ATOM 0 HB2 ARG A 69 16.117 -8.990 19.708 1.00 0.00 H new ATOM 0 HB3 ARG A 69 16.959 -7.488 19.380 1.00 0.00 H new ATOM 0 HG2 ARG A 69 15.008 -6.170 20.102 1.00 0.00 H new ATOM 0 HG3 ARG A 69 14.039 -7.620 20.272 1.00 0.00 H new ATOM 0 HD2 ARG A 69 14.938 -8.130 22.321 1.00 0.00 H new ATOM 0 HD3 ARG A 69 16.570 -7.755 21.805 1.00 0.00 H new ATOM 0 HE ARG A 69 14.978 -5.322 22.042 1.00 0.00 H new ATOM 0 HH11 ARG A 69 16.746 -7.753 23.922 1.00 0.00 H new ATOM 0 HH12 ARG A 69 17.064 -6.656 25.270 1.00 0.00 H new ATOM 0 HH21 ARG A 69 15.385 -3.904 23.787 1.00 0.00 H new ATOM 0 HH22 ARG A 69 16.291 -4.471 25.194 1.00 0.00 H new ATOM 1074 N PRO A 70 16.272 -10.044 17.076 1.00 0.00 N ATOM 1075 CA PRO A 70 17.116 -10.876 16.240 1.00 0.00 C ATOM 1076 C PRO A 70 16.628 -10.868 14.788 1.00 0.00 C ATOM 1077 O PRO A 70 16.220 -11.904 14.264 1.00 0.00 O ATOM 1078 CB PRO A 70 17.068 -12.252 16.876 1.00 0.00 C ATOM 1079 CG PRO A 70 15.840 -12.256 17.768 1.00 0.00 C ATOM 1080 CD PRO A 70 15.376 -10.816 17.936 1.00 0.00 C ATOM 0 HA PRO A 70 18.143 -10.514 16.187 1.00 0.00 H new ATOM 0 HB2 PRO A 70 17.002 -13.031 16.117 1.00 0.00 H new ATOM 0 HB3 PRO A 70 17.971 -12.447 17.454 1.00 0.00 H new ATOM 0 HG2 PRO A 70 15.049 -12.862 17.325 1.00 0.00 H new ATOM 0 HG3 PRO A 70 16.074 -12.696 18.737 1.00 0.00 H new ATOM 0 HD2 PRO A 70 14.335 -10.696 17.635 1.00 0.00 H new ATOM 0 HD3 PRO A 70 15.447 -10.494 18.975 1.00 0.00 H new ATOM 1088 N PHE A 71 16.684 -9.692 14.184 1.00 0.00 N ATOM 1089 CA PHE A 71 16.248 -9.536 12.804 1.00 0.00 C ATOM 1090 C PHE A 71 16.880 -8.300 12.168 1.00 0.00 C ATOM 1091 O PHE A 71 17.924 -7.828 12.620 1.00 0.00 O ATOM 1092 CB PHE A 71 14.728 -9.364 12.832 1.00 0.00 C ATOM 1093 CG PHE A 71 14.272 -7.908 12.948 1.00 0.00 C ATOM 1094 CD1 PHE A 71 14.912 -7.060 13.792 1.00 0.00 C ATOM 1095 CD2 PHE A 71 13.224 -7.464 12.204 1.00 0.00 C ATOM 1096 CE1 PHE A 71 14.488 -5.708 13.904 1.00 0.00 C ATOM 1097 CE2 PHE A 71 12.796 -6.112 12.312 1.00 0.00 C ATOM 1098 CZ PHE A 71 13.440 -5.264 13.160 1.00 0.00 C ATOM 0 H PHE A 71 17.024 -8.836 14.623 1.00 0.00 H new ATOM 0 HA PHE A 71 16.547 -10.405 12.218 1.00 0.00 H new ATOM 0 HB2 PHE A 71 14.306 -9.796 11.924 1.00 0.00 H new ATOM 0 HB3 PHE A 71 14.323 -9.929 13.671 1.00 0.00 H new ATOM 0 HD1 PHE A 71 15.746 -7.413 14.380 1.00 0.00 H new ATOM 0 HD2 PHE A 71 12.716 -8.139 11.531 1.00 0.00 H new ATOM 0 HE1 PHE A 71 14.997 -5.035 14.578 1.00 0.00 H new ATOM 0 HE2 PHE A 71 11.962 -5.759 11.723 1.00 0.00 H new ATOM 0 HZ PHE A 71 13.118 -4.236 13.242 1.00 0.00 H new ATOM 1108 N ASN A 72 16.224 -7.808 11.128 1.00 0.00 N ATOM 1109 CA ASN A 72 16.708 -6.632 10.420 1.00 0.00 C ATOM 1110 C ASN A 72 15.528 -5.908 9.772 1.00 0.00 C ATOM 1111 O ASN A 72 14.372 -6.256 10.016 1.00 0.00 O ATOM 1112 CB ASN A 72 17.692 -7.024 9.316 1.00 0.00 C ATOM 1113 CG ASN A 72 18.116 -8.484 9.448 1.00 0.00 C ATOM 1114 OD1 ASN A 72 19.224 -8.804 9.860 1.00 0.00 O ATOM 1115 ND2 ASN A 72 17.184 -9.356 9.080 1.00 0.00 N ATOM 0 H ASN A 72 15.360 -8.202 10.757 1.00 0.00 H new ATOM 0 HA ASN A 72 17.212 -5.987 11.140 1.00 0.00 H new ATOM 0 HB2 ASN A 72 17.232 -6.863 8.341 1.00 0.00 H new ATOM 0 HB3 ASN A 72 18.571 -6.381 9.364 1.00 0.00 H new ATOM 0 HD21 ASN A 72 17.373 -10.357 9.132 1.00 0.00 H new ATOM 0 HD22 ASN A 72 16.279 -9.025 8.745 1.00 0.00 H new ATOM 1122 N MET A 73 15.860 -4.916 8.960 1.00 0.00 N ATOM 1123 CA MET A 73 14.840 -4.140 8.276 1.00 0.00 C ATOM 1124 C MET A 73 14.364 -4.856 7.012 1.00 0.00 C ATOM 1125 O MET A 73 13.328 -4.504 6.448 1.00 0.00 O ATOM 1126 CB MET A 73 15.404 -2.768 7.904 1.00 0.00 C ATOM 1127 CG MET A 73 16.504 -2.896 6.848 1.00 0.00 C ATOM 1128 SD MET A 73 17.240 -1.300 6.536 1.00 0.00 S ATOM 1129 CE MET A 73 18.016 -1.620 4.960 1.00 0.00 C ATOM 0 H MET A 73 16.819 -4.632 8.760 1.00 0.00 H new ATOM 0 HA MET A 73 13.989 -4.022 8.947 1.00 0.00 H new ATOM 0 HB2 MET A 73 14.604 -2.132 7.526 1.00 0.00 H new ATOM 0 HB3 MET A 73 15.804 -2.282 8.794 1.00 0.00 H new ATOM 0 HG2 MET A 73 17.266 -3.597 7.188 1.00 0.00 H new ATOM 0 HG3 MET A 73 16.088 -3.301 5.925 1.00 0.00 H new ATOM 0 HE1 MET A 73 18.526 -0.720 4.616 1.00 0.00 H new ATOM 0 HE2 MET A 73 18.740 -2.428 5.068 1.00 0.00 H new ATOM 0 HE3 MET A 73 17.257 -1.908 4.232 1.00 0.00 H new ATOM 1139 N GLN A 74 15.144 -5.844 6.600 1.00 0.00 N ATOM 1140 CA GLN A 74 14.812 -6.612 5.412 1.00 0.00 C ATOM 1141 C GLN A 74 13.524 -7.404 5.632 1.00 0.00 C ATOM 1142 O GLN A 74 12.660 -7.444 4.756 1.00 0.00 O ATOM 1143 CB GLN A 74 15.964 -7.540 5.024 1.00 0.00 C ATOM 1144 CG GLN A 74 16.200 -7.520 3.512 1.00 0.00 C ATOM 1145 CD GLN A 74 17.320 -8.488 3.116 1.00 0.00 C ATOM 1146 OE1 GLN A 74 17.812 -9.268 3.916 1.00 0.00 O ATOM 1147 NE2 GLN A 74 17.696 -8.392 1.844 1.00 0.00 N ATOM 0 H GLN A 74 16.004 -6.130 7.067 1.00 0.00 H new ATOM 0 HA GLN A 74 14.650 -5.917 4.588 1.00 0.00 H new ATOM 0 HB2 GLN A 74 16.873 -7.233 5.541 1.00 0.00 H new ATOM 0 HB3 GLN A 74 15.741 -8.557 5.347 1.00 0.00 H new ATOM 0 HG2 GLN A 74 15.280 -7.791 2.994 1.00 0.00 H new ATOM 0 HG3 GLN A 74 16.459 -6.510 3.194 1.00 0.00 H new ATOM 0 HE21 GLN A 74 17.243 -7.718 1.228 1.00 0.00 H new ATOM 0 HE22 GLN A 74 18.438 -8.993 1.485 1.00 0.00 H new ATOM 1156 N GLU A 75 13.432 -8.012 6.804 1.00 0.00 N ATOM 1157 CA GLU A 75 12.260 -8.800 7.152 1.00 0.00 C ATOM 1158 C GLU A 75 11.004 -7.928 7.104 1.00 0.00 C ATOM 1159 O GLU A 75 9.904 -8.428 6.860 1.00 0.00 O ATOM 1160 CB GLU A 75 12.424 -9.456 8.524 1.00 0.00 C ATOM 1161 CG GLU A 75 13.876 -9.880 8.756 1.00 0.00 C ATOM 1162 CD GLU A 75 13.944 -11.272 9.384 1.00 0.00 C ATOM 1163 OE1 GLU A 75 12.888 -11.724 9.876 1.00 0.00 O ATOM 1164 OE2 GLU A 75 15.052 -11.852 9.356 1.00 0.00 O ATOM 0 H GLU A 75 14.151 -7.976 7.527 1.00 0.00 H new ATOM 0 HA GLU A 75 12.152 -9.599 6.419 1.00 0.00 H new ATOM 0 HB2 GLU A 75 12.115 -8.760 9.304 1.00 0.00 H new ATOM 0 HB3 GLU A 75 11.771 -10.326 8.596 1.00 0.00 H new ATOM 0 HG2 GLU A 75 14.416 -9.877 7.809 1.00 0.00 H new ATOM 0 HG3 GLU A 75 14.370 -9.159 9.407 1.00 0.00 H new ATOM 1171 N LEU A 76 11.204 -6.640 7.344 1.00 0.00 N ATOM 1172 CA LEU A 76 10.104 -5.696 7.336 1.00 0.00 C ATOM 1173 C LEU A 76 9.556 -5.572 5.912 1.00 0.00 C ATOM 1174 O LEU A 76 8.356 -5.740 5.688 1.00 0.00 O ATOM 1175 CB LEU A 76 10.536 -4.360 7.948 1.00 0.00 C ATOM 1176 CG LEU A 76 10.984 -4.408 9.408 1.00 0.00 C ATOM 1177 CD1 LEU A 76 11.576 -3.064 9.844 1.00 0.00 C ATOM 1178 CD2 LEU A 76 9.836 -4.848 10.320 1.00 0.00 C ATOM 0 H LEU A 76 12.116 -6.229 7.546 1.00 0.00 H new ATOM 0 HA LEU A 76 9.289 -6.057 7.963 1.00 0.00 H new ATOM 0 HB2 LEU A 76 11.353 -3.956 7.351 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.705 -3.659 7.866 1.00 0.00 H new ATOM 0 HG LEU A 76 11.773 -5.155 9.498 1.00 0.00 H new ATOM 0 HD11 LEU A 76 11.887 -3.125 10.887 1.00 0.00 H new ATOM 0 HD12 LEU A 76 12.439 -2.827 9.221 1.00 0.00 H new ATOM 0 HD13 LEU A 76 10.824 -2.283 9.735 1.00 0.00 H new ATOM 0 HD21 LEU A 76 10.182 -4.874 11.353 1.00 0.00 H new ATOM 0 HD22 LEU A 76 9.010 -4.142 10.231 1.00 0.00 H new ATOM 0 HD23 LEU A 76 9.498 -5.842 10.026 1.00 0.00 H new ATOM 1190 N GLU A 77 10.456 -5.276 4.988 1.00 0.00 N ATOM 1191 CA GLU A 77 10.080 -5.128 3.596 1.00 0.00 C ATOM 1192 C GLU A 77 9.604 -6.464 3.028 1.00 0.00 C ATOM 1193 O GLU A 77 8.944 -6.504 1.992 1.00 0.00 O ATOM 1194 CB GLU A 77 11.240 -4.564 2.768 1.00 0.00 C ATOM 1195 CG GLU A 77 11.020 -4.812 1.276 1.00 0.00 C ATOM 1196 CD GLU A 77 11.912 -3.900 0.432 1.00 0.00 C ATOM 1197 OE1 GLU A 77 11.640 -2.680 0.436 1.00 0.00 O ATOM 1198 OE2 GLU A 77 12.848 -4.440 -0.196 1.00 0.00 O ATOM 0 H GLU A 77 11.448 -5.134 5.178 1.00 0.00 H new ATOM 0 HA GLU A 77 9.256 -4.416 3.539 1.00 0.00 H new ATOM 0 HB2 GLU A 77 11.336 -3.494 2.952 1.00 0.00 H new ATOM 0 HB3 GLU A 77 12.175 -5.027 3.083 1.00 0.00 H new ATOM 0 HG2 GLU A 77 11.234 -5.855 1.041 1.00 0.00 H new ATOM 0 HG3 GLU A 77 9.974 -4.637 1.025 1.00 0.00 H new ATOM 1205 N ILE A 78 9.956 -7.528 3.732 1.00 0.00 N ATOM 1206 CA ILE A 78 9.572 -8.868 3.316 1.00 0.00 C ATOM 1207 C ILE A 78 8.236 -9.236 3.964 1.00 0.00 C ATOM 1208 O ILE A 78 7.384 -9.856 3.328 1.00 0.00 O ATOM 1209 CB ILE A 78 10.696 -9.864 3.608 1.00 0.00 C ATOM 1210 CG1 ILE A 78 11.488 -10.184 2.340 1.00 0.00 C ATOM 1211 CG2 ILE A 78 10.148 -11.128 4.276 1.00 0.00 C ATOM 1212 CD1 ILE A 78 10.672 -11.068 1.392 1.00 0.00 C ATOM 0 H ILE A 78 10.505 -7.491 4.591 1.00 0.00 H new ATOM 0 HA ILE A 78 9.422 -8.903 2.237 1.00 0.00 H new ATOM 0 HB ILE A 78 11.388 -9.402 4.312 1.00 0.00 H new ATOM 0 HG12 ILE A 78 11.762 -9.258 1.834 1.00 0.00 H new ATOM 0 HG13 ILE A 78 12.417 -10.689 2.605 1.00 0.00 H new ATOM 0 HG21 ILE A 78 10.967 -11.820 4.473 1.00 0.00 H new ATOM 0 HG22 ILE A 78 9.664 -10.862 5.216 1.00 0.00 H new ATOM 0 HG23 ILE A 78 9.423 -11.603 3.616 1.00 0.00 H new ATOM 0 HD11 ILE A 78 11.258 -11.281 0.498 1.00 0.00 H new ATOM 0 HD12 ILE A 78 10.421 -12.003 1.892 1.00 0.00 H new ATOM 0 HD13 ILE A 78 9.755 -10.550 1.110 1.00 0.00 H new ATOM 1224 N ASN A 79 8.096 -8.840 5.220 1.00 0.00 N ATOM 1225 CA ASN A 79 6.876 -9.120 5.960 1.00 0.00 C ATOM 1226 C ASN A 79 5.808 -8.092 5.588 1.00 0.00 C ATOM 1227 O ASN A 79 5.528 -7.176 6.360 1.00 0.00 O ATOM 1228 CB ASN A 79 7.116 -9.028 7.468 1.00 0.00 C ATOM 1229 CG ASN A 79 7.876 -10.256 7.980 1.00 0.00 C ATOM 1230 OD1 ASN A 79 7.916 -11.300 7.352 1.00 0.00 O ATOM 1231 ND2 ASN A 79 8.480 -10.068 9.148 1.00 0.00 N ATOM 0 H ASN A 79 8.806 -8.328 5.744 1.00 0.00 H new ATOM 0 HA ASN A 79 6.552 -10.129 5.705 1.00 0.00 H new ATOM 0 HB2 ASN A 79 7.682 -8.125 7.695 1.00 0.00 H new ATOM 0 HB3 ASN A 79 6.161 -8.944 7.987 1.00 0.00 H new ATOM 0 HD21 ASN A 79 9.018 -10.824 9.572 1.00 0.00 H new ATOM 0 HD22 ASN A 79 8.406 -9.168 9.621 1.00 0.00 H new ATOM 1238 N LEU A 80 5.240 -8.280 4.408 1.00 0.00 N ATOM 1239 CA LEU A 80 4.208 -7.376 3.924 1.00 0.00 C ATOM 1240 C LEU A 80 3.320 -8.120 2.920 1.00 0.00 C ATOM 1241 O LEU A 80 3.676 -9.196 2.444 1.00 0.00 O ATOM 1242 CB LEU A 80 4.832 -6.100 3.360 1.00 0.00 C ATOM 1243 CG LEU A 80 6.196 -6.260 2.688 1.00 0.00 C ATOM 1244 CD1 LEU A 80 6.160 -7.368 1.632 1.00 0.00 C ATOM 1245 CD2 LEU A 80 6.680 -4.932 2.104 1.00 0.00 C ATOM 0 H LEU A 80 5.473 -9.043 3.772 1.00 0.00 H new ATOM 0 HA LEU A 80 3.568 -7.053 4.745 1.00 0.00 H new ATOM 0 HB2 LEU A 80 4.140 -5.671 2.635 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.931 -5.379 4.171 1.00 0.00 H new ATOM 0 HG LEU A 80 6.917 -6.560 3.449 1.00 0.00 H new ATOM 0 HD11 LEU A 80 7.142 -7.461 1.169 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.890 -8.312 2.105 1.00 0.00 H new ATOM 0 HD13 LEU A 80 5.422 -7.120 0.869 1.00 0.00 H new ATOM 0 HD21 LEU A 80 7.652 -5.075 1.632 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.965 -4.579 1.361 1.00 0.00 H new ATOM 0 HD23 LEU A 80 6.769 -4.195 2.902 1.00 0.00 H new ATOM 1257 N ALA A 81 2.176 -7.512 2.632 1.00 0.00 N ATOM 1258 CA ALA A 81 1.232 -8.100 1.696 1.00 0.00 C ATOM 1259 C ALA A 81 0.920 -7.088 0.592 1.00 0.00 C ATOM 1260 O ALA A 81 1.160 -7.352 -0.584 1.00 0.00 O ATOM 1261 CB ALA A 81 -0.020 -8.552 2.448 1.00 0.00 C ATOM 0 H ALA A 81 1.883 -6.620 3.030 1.00 0.00 H new ATOM 0 HA ALA A 81 1.660 -8.983 1.221 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -0.727 -8.993 1.745 1.00 0.00 H new ATOM 0 HB2 ALA A 81 0.254 -9.293 3.199 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.481 -7.693 2.936 1.00 0.00 H new ATOM 1267 N SER A 82 0.380 -5.952 1.012 1.00 0.00 N ATOM 1268 CA SER A 82 0.028 -4.900 0.072 1.00 0.00 C ATOM 1269 C SER A 82 -0.004 -3.548 0.788 1.00 0.00 C ATOM 1270 O SER A 82 0.480 -3.428 1.912 1.00 0.00 O ATOM 1271 CB SER A 82 -1.320 -5.180 -0.592 1.00 0.00 C ATOM 1272 OG SER A 82 -1.192 -5.384 -1.996 1.00 0.00 O ATOM 0 H SER A 82 0.178 -5.738 1.989 1.00 0.00 H new ATOM 0 HA SER A 82 0.787 -4.873 -0.710 1.00 0.00 H new ATOM 0 HB2 SER A 82 -1.772 -6.062 -0.137 1.00 0.00 H new ATOM 0 HB3 SER A 82 -1.995 -4.345 -0.407 1.00 0.00 H new ATOM 0 HG SER A 82 -2.075 -5.562 -2.383 1.00 0.00 H new ATOM 1278 N PHE A 83 -0.576 -2.568 0.108 1.00 0.00 N ATOM 1279 CA PHE A 83 -0.676 -1.232 0.668 1.00 0.00 C ATOM 1280 C PHE A 83 -1.616 -0.356 -0.168 1.00 0.00 C ATOM 1281 O PHE A 83 -1.816 -0.616 -1.356 1.00 0.00 O ATOM 1282 CB PHE A 83 0.728 -0.624 0.636 1.00 0.00 C ATOM 1283 CG PHE A 83 1.648 -1.132 1.748 1.00 0.00 C ATOM 1284 CD1 PHE A 83 1.404 -0.780 3.040 1.00 0.00 C ATOM 1285 CD2 PHE A 83 2.704 -1.928 1.448 1.00 0.00 C ATOM 1286 CE1 PHE A 83 2.260 -1.248 4.076 1.00 0.00 C ATOM 1287 CE2 PHE A 83 3.560 -2.396 2.480 1.00 0.00 C ATOM 1288 CZ PHE A 83 3.316 -2.048 3.772 1.00 0.00 C ATOM 0 H PHE A 83 -0.975 -2.671 -0.825 1.00 0.00 H new ATOM 0 HA PHE A 83 -1.073 -1.284 1.682 1.00 0.00 H new ATOM 0 HB2 PHE A 83 1.186 -0.842 -0.329 1.00 0.00 H new ATOM 0 HB3 PHE A 83 0.646 0.460 0.713 1.00 0.00 H new ATOM 0 HD1 PHE A 83 0.562 -0.147 3.278 1.00 0.00 H new ATOM 0 HD2 PHE A 83 2.894 -2.207 0.422 1.00 0.00 H new ATOM 0 HE1 PHE A 83 2.071 -0.968 5.102 1.00 0.00 H new ATOM 0 HE2 PHE A 83 4.403 -3.027 2.239 1.00 0.00 H new ATOM 0 HZ PHE A 83 3.963 -2.408 4.558 1.00 0.00 H new ATOM 1298 N ALA A 84 -2.160 0.660 0.480 1.00 0.00 N ATOM 1299 CA ALA A 84 -3.072 1.572 -0.188 1.00 0.00 C ATOM 1300 C ALA A 84 -2.360 2.904 -0.440 1.00 0.00 C ATOM 1301 O ALA A 84 -2.752 3.664 -1.320 1.00 0.00 O ATOM 1302 CB ALA A 84 -4.340 1.736 0.652 1.00 0.00 C ATOM 0 H ALA A 84 -1.987 0.873 1.462 1.00 0.00 H new ATOM 0 HA ALA A 84 -3.375 1.172 -1.156 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -5.023 2.421 0.149 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -4.823 0.767 0.775 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -4.079 2.138 1.631 1.00 0.00 H new ATOM 1308 N GLY A 85 -1.328 3.144 0.356 1.00 0.00 N ATOM 1309 CA GLY A 85 -0.556 4.372 0.232 1.00 0.00 C ATOM 1310 C GLY A 85 0.944 4.076 0.216 1.00 0.00 C ATOM 1311 O GLY A 85 1.364 3.004 -0.216 1.00 0.00 O ATOM 0 H GLY A 85 -1.008 2.511 1.089 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.838 4.892 -0.684 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.790 5.039 1.062 1.00 0.00 H new ATOM 1315 N GLN A 86 1.708 5.048 0.688 1.00 0.00 N ATOM 1316 CA GLN A 86 3.156 4.904 0.736 1.00 0.00 C ATOM 1317 C GLN A 86 3.636 4.828 2.184 1.00 0.00 C ATOM 1318 O GLN A 86 2.904 5.184 3.104 1.00 0.00 O ATOM 1319 CB GLN A 86 3.840 6.052 -0.008 1.00 0.00 C ATOM 1320 CG GLN A 86 4.540 5.548 -1.272 1.00 0.00 C ATOM 1321 CD GLN A 86 3.880 6.120 -2.532 1.00 0.00 C ATOM 1322 OE1 GLN A 86 2.828 6.732 -2.484 1.00 0.00 O ATOM 1323 NE2 GLN A 86 4.556 5.884 -3.652 1.00 0.00 N ATOM 0 H GLN A 86 1.355 5.938 1.041 1.00 0.00 H new ATOM 0 HA GLN A 86 3.427 3.973 0.237 1.00 0.00 H new ATOM 0 HB2 GLN A 86 3.102 6.808 -0.274 1.00 0.00 H new ATOM 0 HB3 GLN A 86 4.567 6.533 0.647 1.00 0.00 H new ATOM 0 HG2 GLN A 86 5.592 5.833 -1.247 1.00 0.00 H new ATOM 0 HG3 GLN A 86 4.505 4.459 -1.301 1.00 0.00 H new ATOM 0 HE21 GLN A 86 5.433 5.363 -3.619 1.00 0.00 H new ATOM 0 HE22 GLN A 86 4.198 6.223 -4.545 1.00 0.00 H new ATOM 1332 N ILE A 87 4.864 4.356 2.344 1.00 0.00 N ATOM 1333 CA ILE A 87 5.452 4.224 3.664 1.00 0.00 C ATOM 1334 C ILE A 87 6.844 4.860 3.664 1.00 0.00 C ATOM 1335 O ILE A 87 7.540 4.836 2.652 1.00 0.00 O ATOM 1336 CB ILE A 87 5.444 2.760 4.112 1.00 0.00 C ATOM 1337 CG1 ILE A 87 6.508 1.956 3.368 1.00 0.00 C ATOM 1338 CG2 ILE A 87 4.048 2.148 3.960 1.00 0.00 C ATOM 1339 CD1 ILE A 87 7.244 1.012 4.324 1.00 0.00 C ATOM 0 H ILE A 87 5.469 4.060 1.578 1.00 0.00 H new ATOM 0 HA ILE A 87 4.856 4.761 4.401 1.00 0.00 H new ATOM 0 HB ILE A 87 5.696 2.724 5.172 1.00 0.00 H new ATOM 0 HG12 ILE A 87 6.042 1.380 2.568 1.00 0.00 H new ATOM 0 HG13 ILE A 87 7.221 2.634 2.899 1.00 0.00 H new ATOM 0 HG21 ILE A 87 4.069 1.108 4.285 1.00 0.00 H new ATOM 0 HG22 ILE A 87 3.338 2.705 4.572 1.00 0.00 H new ATOM 0 HG23 ILE A 87 3.742 2.195 2.915 1.00 0.00 H new ATOM 0 HD11 ILE A 87 7.997 0.450 3.772 1.00 0.00 H new ATOM 0 HD12 ILE A 87 7.728 1.594 5.109 1.00 0.00 H new ATOM 0 HD13 ILE A 87 6.531 0.320 4.773 1.00 0.00 H new ATOM 1351 N GLN A 88 7.204 5.412 4.816 1.00 0.00 N ATOM 1352 CA GLN A 88 8.500 6.052 4.960 1.00 0.00 C ATOM 1353 C GLN A 88 9.068 5.792 6.356 1.00 0.00 C ATOM 1354 O GLN A 88 8.316 5.596 7.308 1.00 0.00 O ATOM 1355 CB GLN A 88 8.408 7.552 4.676 1.00 0.00 C ATOM 1356 CG GLN A 88 8.476 7.832 3.176 1.00 0.00 C ATOM 1357 CD GLN A 88 9.376 9.036 2.880 1.00 0.00 C ATOM 1358 OE1 GLN A 88 9.700 9.828 3.752 1.00 0.00 O ATOM 1359 NE2 GLN A 88 9.760 9.124 1.612 1.00 0.00 N ATOM 0 H GLN A 88 6.623 5.429 5.654 1.00 0.00 H new ATOM 0 HA GLN A 88 9.179 5.619 4.226 1.00 0.00 H new ATOM 0 HB2 GLN A 88 7.476 7.946 5.081 1.00 0.00 H new ATOM 0 HB3 GLN A 88 9.220 8.072 5.184 1.00 0.00 H new ATOM 0 HG2 GLN A 88 8.856 6.953 2.656 1.00 0.00 H new ATOM 0 HG3 GLN A 88 7.473 8.020 2.792 1.00 0.00 H new ATOM 0 HE21 GLN A 88 9.451 8.426 0.936 1.00 0.00 H new ATOM 0 HE22 GLN A 88 10.364 9.890 1.314 1.00 0.00 H new ATOM 1368 N ALA A 89 10.392 5.800 6.436 1.00 0.00 N ATOM 1369 CA ALA A 89 11.068 5.568 7.700 1.00 0.00 C ATOM 1370 C ALA A 89 12.084 6.688 7.944 1.00 0.00 C ATOM 1371 O ALA A 89 12.724 7.164 7.008 1.00 0.00 O ATOM 1372 CB ALA A 89 11.716 4.184 7.684 1.00 0.00 C ATOM 0 H ALA A 89 11.014 5.964 5.644 1.00 0.00 H new ATOM 0 HA ALA A 89 10.357 5.585 8.526 1.00 0.00 H new ATOM 0 HB1 ALA A 89 12.224 4.009 8.633 1.00 0.00 H new ATOM 0 HB2 ALA A 89 10.948 3.424 7.538 1.00 0.00 H new ATOM 0 HB3 ALA A 89 12.439 4.130 6.870 1.00 0.00 H new ATOM 1378 N ASP A 90 12.200 7.072 9.204 1.00 0.00 N ATOM 1379 CA ASP A 90 13.124 8.128 9.584 1.00 0.00 C ATOM 1380 C ASP A 90 14.248 7.532 10.436 1.00 0.00 C ATOM 1381 O ASP A 90 14.316 6.316 10.620 1.00 0.00 O ATOM 1382 CB ASP A 90 12.424 9.208 10.408 1.00 0.00 C ATOM 1383 CG ASP A 90 12.924 10.632 10.164 1.00 0.00 C ATOM 1384 OD1 ASP A 90 14.140 10.776 9.912 1.00 0.00 O ATOM 1385 OD2 ASP A 90 12.076 11.548 10.236 1.00 0.00 O ATOM 0 H ASP A 90 11.669 6.671 9.978 1.00 0.00 H new ATOM 0 HA ASP A 90 13.517 8.575 8.671 1.00 0.00 H new ATOM 0 HB2 ASP A 90 11.356 9.172 10.194 1.00 0.00 H new ATOM 0 HB3 ASP A 90 12.545 8.973 11.465 1.00 0.00 H new ATOM 1390 N GLU A 91 15.096 8.416 10.940 1.00 0.00 N ATOM 1391 CA GLU A 91 16.212 7.992 11.768 1.00 0.00 C ATOM 1392 C GLU A 91 15.848 6.716 12.536 1.00 0.00 C ATOM 1393 O GLU A 91 16.516 5.692 12.396 1.00 0.00 O ATOM 1394 CB GLU A 91 16.636 9.104 12.728 1.00 0.00 C ATOM 1395 CG GLU A 91 15.424 9.704 13.444 1.00 0.00 C ATOM 1396 CD GLU A 91 15.668 11.168 13.808 1.00 0.00 C ATOM 1397 OE1 GLU A 91 16.360 11.840 13.012 1.00 0.00 O ATOM 1398 OE2 GLU A 91 15.160 11.580 14.872 1.00 0.00 O ATOM 0 H GLU A 91 15.033 9.423 10.791 1.00 0.00 H new ATOM 0 HA GLU A 91 17.059 7.775 11.118 1.00 0.00 H new ATOM 0 HB2 GLU A 91 17.337 8.707 13.463 1.00 0.00 H new ATOM 0 HB3 GLU A 91 17.160 9.885 12.177 1.00 0.00 H new ATOM 0 HG2 GLU A 91 14.545 9.627 12.804 1.00 0.00 H new ATOM 0 HG3 GLU A 91 15.212 9.132 14.347 1.00 0.00 H new ATOM 1405 N ASP A 92 14.792 6.824 13.328 1.00 0.00 N ATOM 1406 CA ASP A 92 14.332 5.692 14.116 1.00 0.00 C ATOM 1407 C ASP A 92 12.816 5.776 14.284 1.00 0.00 C ATOM 1408 O ASP A 92 12.312 5.872 15.400 1.00 0.00 O ATOM 1409 CB ASP A 92 14.964 5.700 15.512 1.00 0.00 C ATOM 1410 CG ASP A 92 16.488 5.600 15.532 1.00 0.00 C ATOM 1411 OD1 ASP A 92 17.028 4.936 14.620 1.00 0.00 O ATOM 1412 OD2 ASP A 92 17.084 6.192 16.460 1.00 0.00 O ATOM 0 H ASP A 92 14.242 7.676 13.441 1.00 0.00 H new ATOM 0 HA ASP A 92 14.619 4.779 13.595 1.00 0.00 H new ATOM 0 HB2 ASP A 92 14.668 6.616 16.023 1.00 0.00 H new ATOM 0 HB3 ASP A 92 14.553 4.869 16.085 1.00 0.00 H new ATOM 1417 N GLN A 93 12.124 5.732 13.152 1.00 0.00 N ATOM 1418 CA GLN A 93 10.672 5.804 13.160 1.00 0.00 C ATOM 1419 C GLN A 93 10.120 5.436 11.780 1.00 0.00 C ATOM 1420 O GLN A 93 10.864 5.372 10.804 1.00 0.00 O ATOM 1421 CB GLN A 93 10.192 7.188 13.592 1.00 0.00 C ATOM 1422 CG GLN A 93 10.032 8.116 12.384 1.00 0.00 C ATOM 1423 CD GLN A 93 10.024 9.584 12.816 1.00 0.00 C ATOM 1424 OE1 GLN A 93 10.844 10.032 13.600 1.00 0.00 O ATOM 1425 NE2 GLN A 93 9.052 10.304 12.264 1.00 0.00 N ATOM 0 H GLN A 93 12.542 5.648 12.225 1.00 0.00 H new ATOM 0 HA GLN A 93 10.294 5.085 13.887 1.00 0.00 H new ATOM 0 HB2 GLN A 93 9.240 7.100 14.116 1.00 0.00 H new ATOM 0 HB3 GLN A 93 10.904 7.620 14.295 1.00 0.00 H new ATOM 0 HG2 GLN A 93 10.846 7.945 11.680 1.00 0.00 H new ATOM 0 HG3 GLN A 93 9.104 7.882 11.862 1.00 0.00 H new ATOM 0 HE21 GLN A 93 8.399 9.866 11.615 1.00 0.00 H new ATOM 0 HE22 GLN A 93 8.960 11.294 12.490 1.00 0.00 H new ATOM 1434 N ILE A 94 8.816 5.204 11.744 1.00 0.00 N ATOM 1435 CA ILE A 94 8.152 4.844 10.504 1.00 0.00 C ATOM 1436 C ILE A 94 6.804 5.560 10.424 1.00 0.00 C ATOM 1437 O ILE A 94 6.016 5.516 11.372 1.00 0.00 O ATOM 1438 CB ILE A 94 8.048 3.324 10.372 1.00 0.00 C ATOM 1439 CG1 ILE A 94 7.260 2.932 9.120 1.00 0.00 C ATOM 1440 CG2 ILE A 94 7.456 2.704 11.640 1.00 0.00 C ATOM 1441 CD1 ILE A 94 7.140 1.412 9.000 1.00 0.00 C ATOM 0 H ILE A 94 8.201 5.259 12.556 1.00 0.00 H new ATOM 0 HA ILE A 94 8.741 5.176 9.649 1.00 0.00 H new ATOM 0 HB ILE A 94 9.055 2.922 10.255 1.00 0.00 H new ATOM 0 HG12 ILE A 94 6.266 3.377 9.158 1.00 0.00 H new ATOM 0 HG13 ILE A 94 7.755 3.332 8.235 1.00 0.00 H new ATOM 0 HG21 ILE A 94 7.393 1.622 11.521 1.00 0.00 H new ATOM 0 HG22 ILE A 94 8.094 2.938 12.492 1.00 0.00 H new ATOM 0 HG23 ILE A 94 6.459 3.109 11.812 1.00 0.00 H new ATOM 0 HD11 ILE A 94 6.576 1.161 8.102 1.00 0.00 H new ATOM 0 HD12 ILE A 94 8.135 0.972 8.938 1.00 0.00 H new ATOM 0 HD13 ILE A 94 6.623 1.018 9.875 1.00 0.00 H new ATOM 1453 N ARG A 95 6.576 6.204 9.288 1.00 0.00 N ATOM 1454 CA ARG A 95 5.336 6.932 9.076 1.00 0.00 C ATOM 1455 C ARG A 95 4.620 6.400 7.832 1.00 0.00 C ATOM 1456 O ARG A 95 5.260 5.932 6.892 1.00 0.00 O ATOM 1457 CB ARG A 95 5.596 8.428 8.908 1.00 0.00 C ATOM 1458 CG ARG A 95 6.956 8.680 8.252 1.00 0.00 C ATOM 1459 CD ARG A 95 8.076 8.664 9.292 1.00 0.00 C ATOM 1460 NE ARG A 95 8.900 9.884 9.164 1.00 0.00 N ATOM 1461 CZ ARG A 95 9.672 10.164 8.104 1.00 0.00 C ATOM 1462 NH1 ARG A 95 9.728 9.312 7.072 1.00 0.00 N ATOM 1463 NH2 ARG A 95 10.388 11.296 8.076 1.00 0.00 N ATOM 0 H ARG A 95 7.229 6.237 8.505 1.00 0.00 H new ATOM 0 HA ARG A 95 4.708 6.784 9.954 1.00 0.00 H new ATOM 0 HB2 ARG A 95 4.808 8.871 8.300 1.00 0.00 H new ATOM 0 HB3 ARG A 95 5.562 8.918 9.881 1.00 0.00 H new ATOM 0 HG2 ARG A 95 7.146 7.918 7.496 1.00 0.00 H new ATOM 0 HG3 ARG A 95 6.944 9.642 7.740 1.00 0.00 H new ATOM 0 HD2 ARG A 95 7.652 8.605 10.294 1.00 0.00 H new ATOM 0 HD3 ARG A 95 8.698 7.779 9.156 1.00 0.00 H new ATOM 0 HE ARG A 95 8.880 10.556 9.931 1.00 0.00 H new ATOM 0 HH11 ARG A 95 9.183 8.450 7.092 1.00 0.00 H new ATOM 0 HH12 ARG A 95 10.315 9.525 6.266 1.00 0.00 H new ATOM 0 HH21 ARG A 95 10.346 11.946 8.861 1.00 0.00 H new ATOM 0 HH22 ARG A 95 10.975 11.508 7.269 1.00 0.00 H new ATOM 1477 N PHE A 96 3.300 6.492 7.864 1.00 0.00 N ATOM 1478 CA PHE A 96 2.488 6.028 6.752 1.00 0.00 C ATOM 1479 C PHE A 96 1.564 7.140 6.248 1.00 0.00 C ATOM 1480 O PHE A 96 1.068 7.944 7.032 1.00 0.00 O ATOM 1481 CB PHE A 96 1.636 4.868 7.268 1.00 0.00 C ATOM 1482 CG PHE A 96 2.424 3.580 7.508 1.00 0.00 C ATOM 1483 CD1 PHE A 96 3.264 3.484 8.576 1.00 0.00 C ATOM 1484 CD2 PHE A 96 2.288 2.528 6.656 1.00 0.00 C ATOM 1485 CE1 PHE A 96 3.992 2.284 8.800 1.00 0.00 C ATOM 1486 CE2 PHE A 96 3.016 1.332 6.880 1.00 0.00 C ATOM 1487 CZ PHE A 96 3.856 1.236 7.944 1.00 0.00 C ATOM 0 H PHE A 96 2.771 6.882 8.644 1.00 0.00 H new ATOM 0 HA PHE A 96 3.130 5.722 5.926 1.00 0.00 H new ATOM 0 HB2 PHE A 96 1.157 5.168 8.200 1.00 0.00 H new ATOM 0 HB3 PHE A 96 0.840 4.667 6.551 1.00 0.00 H new ATOM 0 HD1 PHE A 96 3.377 4.319 9.252 1.00 0.00 H new ATOM 0 HD2 PHE A 96 1.624 2.604 5.807 1.00 0.00 H new ATOM 0 HE1 PHE A 96 4.653 2.204 9.650 1.00 0.00 H new ATOM 0 HE2 PHE A 96 2.903 0.497 6.205 1.00 0.00 H new ATOM 0 HZ PHE A 96 4.416 0.327 8.110 1.00 0.00 H new ATOM 1497 N TYR A 97 1.356 7.144 4.936 1.00 0.00 N ATOM 1498 CA TYR A 97 0.500 8.144 4.320 1.00 0.00 C ATOM 1499 C TYR A 97 0.120 7.732 2.896 1.00 0.00 C ATOM 1500 O TYR A 97 0.896 7.064 2.212 1.00 0.00 O ATOM 1501 CB TYR A 97 1.324 9.432 4.264 1.00 0.00 C ATOM 1502 CG TYR A 97 2.624 9.308 3.472 1.00 0.00 C ATOM 1503 CD1 TYR A 97 2.608 9.424 2.096 1.00 0.00 C ATOM 1504 CD2 TYR A 97 3.816 9.076 4.128 1.00 0.00 C ATOM 1505 CE1 TYR A 97 3.832 9.304 1.348 1.00 0.00 C ATOM 1506 CE2 TYR A 97 5.040 8.960 3.380 1.00 0.00 C ATOM 1507 CZ TYR A 97 4.988 9.080 2.028 1.00 0.00 C ATOM 1508 OH TYR A 97 6.144 8.968 1.320 1.00 0.00 O ATOM 0 H TYR A 97 1.765 6.472 4.286 1.00 0.00 H new ATOM 0 HA TYR A 97 -0.422 8.265 4.889 1.00 0.00 H new ATOM 0 HB2 TYR A 97 0.716 10.221 3.821 1.00 0.00 H new ATOM 0 HB3 TYR A 97 1.560 9.744 5.281 1.00 0.00 H new ATOM 0 HD1 TYR A 97 1.676 9.605 1.581 1.00 0.00 H new ATOM 0 HD2 TYR A 97 3.830 8.981 5.204 1.00 0.00 H new ATOM 0 HE1 TYR A 97 3.832 9.390 0.271 1.00 0.00 H new ATOM 0 HE2 TYR A 97 5.979 8.781 3.883 1.00 0.00 H new ATOM 0 HH TYR A 97 6.289 8.030 1.077 1.00 0.00 H new ATOM 1518 N PHE A 98 -1.068 8.152 2.488 1.00 0.00 N ATOM 1519 CA PHE A 98 -1.556 7.836 1.156 1.00 0.00 C ATOM 1520 C PHE A 98 -1.404 9.036 0.220 1.00 0.00 C ATOM 1521 O PHE A 98 -1.936 9.032 -0.888 1.00 0.00 O ATOM 1522 CB PHE A 98 -3.044 7.500 1.296 1.00 0.00 C ATOM 1523 CG PHE A 98 -3.792 7.420 -0.040 1.00 0.00 C ATOM 1524 CD1 PHE A 98 -3.440 6.480 -0.960 1.00 0.00 C ATOM 1525 CD2 PHE A 98 -4.804 8.284 -0.304 1.00 0.00 C ATOM 1526 CE1 PHE A 98 -4.132 6.408 -2.196 1.00 0.00 C ATOM 1527 CE2 PHE A 98 -5.496 8.212 -1.540 1.00 0.00 C ATOM 1528 CZ PHE A 98 -5.144 7.272 -2.460 1.00 0.00 C ATOM 0 H PHE A 98 -1.707 8.708 3.056 1.00 0.00 H new ATOM 0 HA PHE A 98 -0.987 7.006 0.736 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -3.144 6.546 1.814 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -3.519 8.255 1.923 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -2.636 5.791 -0.749 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -5.083 9.028 0.428 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -3.853 5.664 -2.928 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -6.300 8.901 -1.751 1.00 0.00 H new ATOM 0 HZ PHE A 98 -5.671 7.214 -3.401 1.00 0.00 H new ATOM 1538 N ASP A 99 -0.668 10.028 0.696 1.00 0.00 N ATOM 1539 CA ASP A 99 -0.436 11.228 -0.088 1.00 0.00 C ATOM 1540 C ASP A 99 0.664 10.956 -1.112 1.00 0.00 C ATOM 1541 O ASP A 99 1.720 10.428 -0.772 1.00 0.00 O ATOM 1542 CB ASP A 99 0.020 12.384 0.804 1.00 0.00 C ATOM 1543 CG ASP A 99 -0.948 13.568 0.880 1.00 0.00 C ATOM 1544 OD1 ASP A 99 -1.292 14.088 -0.204 1.00 0.00 O ATOM 1545 OD2 ASP A 99 -1.324 13.920 2.016 1.00 0.00 O ATOM 0 H ASP A 99 -0.225 10.026 1.615 1.00 0.00 H new ATOM 0 HA ASP A 99 -1.370 11.499 -0.580 1.00 0.00 H new ATOM 0 HB2 ASP A 99 0.182 12.002 1.812 1.00 0.00 H new ATOM 0 HB3 ASP A 99 0.982 12.745 0.441 1.00 0.00 H new ATOM 1550 N LYS A 100 0.380 11.336 -2.352 1.00 0.00 N ATOM 1551 CA LYS A 100 1.332 11.144 -3.432 1.00 0.00 C ATOM 1552 C LYS A 100 2.368 12.268 -3.400 1.00 0.00 C ATOM 1553 O LYS A 100 3.324 12.220 -2.628 1.00 0.00 O ATOM 1554 CB LYS A 100 0.604 11.012 -4.772 1.00 0.00 C ATOM 1555 CG LYS A 100 -0.292 9.776 -4.788 1.00 0.00 C ATOM 1556 CD LYS A 100 -1.656 10.092 -5.400 1.00 0.00 C ATOM 1557 CE LYS A 100 -2.472 8.816 -5.616 1.00 0.00 C ATOM 1558 NZ LYS A 100 -3.732 9.120 -6.332 1.00 0.00 N ATOM 0 H LYS A 100 -0.497 11.776 -2.631 1.00 0.00 H new ATOM 0 HA LYS A 100 1.875 10.208 -3.299 1.00 0.00 H new ATOM 0 HB2 LYS A 100 0.003 11.903 -4.953 1.00 0.00 H new ATOM 0 HB3 LYS A 100 1.332 10.948 -5.581 1.00 0.00 H new ATOM 0 HG2 LYS A 100 0.190 8.981 -5.357 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -0.423 9.405 -3.771 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -2.203 10.771 -4.746 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -1.521 10.606 -6.351 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -1.887 8.096 -6.188 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -2.696 8.354 -4.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -4.304 8.255 -6.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -4.265 9.841 -5.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -3.513 9.477 -7.284 1.00 0.00 H new ATOM 1572 N THR A 101 2.144 13.260 -4.252 1.00 0.00 N ATOM 1573 CA THR A 101 3.044 14.396 -4.332 1.00 0.00 C ATOM 1574 C THR A 101 3.028 15.184 -3.024 1.00 0.00 C ATOM 1575 O THR A 101 1.964 15.448 -2.468 1.00 0.00 O ATOM 1576 CB THR A 101 2.644 15.232 -5.548 1.00 0.00 C ATOM 1577 OG1 THR A 101 3.644 16.244 -5.624 1.00 0.00 O ATOM 1578 CG2 THR A 101 1.344 16.008 -5.324 1.00 0.00 C ATOM 0 H THR A 101 1.351 13.299 -4.892 1.00 0.00 H new ATOM 0 HA THR A 101 4.076 14.072 -4.467 1.00 0.00 H new ATOM 0 HB THR A 101 2.533 14.579 -6.413 1.00 0.00 H new ATOM 0 HG1 THR A 101 3.460 16.829 -6.388 1.00 0.00 H new ATOM 0 HG21 THR A 101 1.106 16.585 -6.218 1.00 0.00 H new ATOM 0 HG22 THR A 101 0.534 15.309 -5.117 1.00 0.00 H new ATOM 0 HG23 THR A 101 1.465 16.684 -4.478 1.00 0.00 H new ATOM 1586 N MET A 102 4.224 15.532 -2.564 1.00 0.00 N ATOM 1587 CA MET A 102 4.360 16.284 -1.328 1.00 0.00 C ATOM 1588 C MET A 102 4.760 17.732 -1.608 1.00 0.00 C ATOM 1589 O MET A 102 3.904 18.568 -1.904 1.00 0.00 O ATOM 1590 CB MET A 102 5.420 15.624 -0.444 1.00 0.00 C ATOM 1591 CG MET A 102 4.928 15.492 0.996 1.00 0.00 C ATOM 1592 SD MET A 102 6.320 15.348 2.108 1.00 0.00 S ATOM 1593 CE MET A 102 6.220 16.924 2.936 1.00 0.00 C ATOM 0 H MET A 102 5.105 15.307 -3.026 1.00 0.00 H new ATOM 0 HA MET A 102 3.397 16.285 -0.818 1.00 0.00 H new ATOM 0 HB2 MET A 102 5.666 14.639 -0.840 1.00 0.00 H new ATOM 0 HB3 MET A 102 6.336 16.214 -0.466 1.00 0.00 H new ATOM 0 HG2 MET A 102 4.326 16.360 1.264 1.00 0.00 H new ATOM 0 HG3 MET A 102 4.285 14.617 1.090 1.00 0.00 H new ATOM 0 HE1 MET A 102 7.022 17.001 3.670 1.00 0.00 H new ATOM 0 HE2 MET A 102 6.319 17.726 2.205 1.00 0.00 H new ATOM 0 HE3 MET A 102 5.258 17.010 3.440 1.00 0.00 H new TER 1603 MET A 102 END