USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 672 hydrogens (0 hets) HEADER ANTIFUNGAL PROTEIN 04-NOV-00 1GH5 TITLE ANTIFUNGAL PROTEIN FROM STREPTOMYCES TENDAE TU901, NMR TITLE 2 AVERAGE STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: ANTIFUNGAL PROTEIN; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: AFP1; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES TENDAE; SOURCE 3 ORGANISM_TAXID: 1932; SOURCE 4 STRAIN: TU901; SOURCE 5 GENE: AFP; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 0 EXPRESSION_SYSTEM_PLASMID: PET11A(NOVAGEN) KEYWDS ALL-BETA, TWO ANTIPARALLEL BETA-SHEETS, PARALLEL BETA- KEYWDS 2 SANDWICH, ANTIFUNGAL PROTEIN EXPDTA SOLUTION NMR AUTHOR R.CAMPOS-OLIVAS,C.BORMANN,I.HOERR,G.JUNG,A.M.GRONENBORN REVDAT 4 24-FEB-09 1GH5 1 VERSN REVDAT 3 01-APR-03 1GH5 1 JRNL REVDAT 2 23-MAY-01 1GH5 1 JRNL REVDAT 1 28-MAR-01 1GH5 0 JRNL AUTH R.CAMPOS-OLIVAS,I.HORR,C.BORMANN,G.JUNG, JRNL AUTH 2 A.M.GRONENBORN JRNL TITL SOLUTION STRUCTURE, BACKBONE DYNAMICS AND CHITIN JRNL TITL 2 BINDING OF THE ANTI-FUNGAL PROTEIN FROM JRNL TITL 3 STREPTOMYCES TENDAE TU901. JRNL REF J.MOL.BIOL. V. 308 765 2001 JRNL REFN ISSN 0022-2836 JRNL PMID 11350173 JRNL DOI 10.1006/JMBI.2001.4622 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : DYANA 1.5 REMARK 3 AUTHORS : GUENTERT REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1GH5 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 13-NOV-00. REMARK 100 THE RCSB ID CODE IS RCSB001509. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 293; 277 REMARK 210 PH : 8.0; 8.0 REMARK 210 IONIC STRENGTH : 0.32 M; 0.32 M REMARK 210 PRESSURE : AMBIENT; AMBIENT REMARK 210 SAMPLE CONTENTS : 0.5-0.8 MM AFP1 [U-99% 15N; U REMARK 210 -10% 13C] 20 MM PHOSPHATE, PH REMARK 210 8.0. 0.1 M NACL. 0.02 MM EDTA. REMARK 210 0.01% NAN3.; 0.5-0.8 MM AFP1 REMARK 210 [U-99% 15N; U-10% 13C] 20 MM REMARK 210 PHOSPHATE, PH 8.0. 0.1 M NACL. REMARK 210 0.02 MM EDTA. 0.01% NAN3.; REMARK 210 0.5-0.8 MM AFP1 [U-99% 15N; U- REMARK 210 13C] 20 MM PHOSPHATE, PH 8.0. REMARK 210 0.1 M NACL. 0.02 MM EDTA. REMARK 210 0.01% NAN3.; 0.5-0.8 MM AFP1 REMARK 210 [U-99% 15N; U-13C] 20 MM REMARK 210 PHOSPHATE, PH 8.0. 0.1 M NACL. REMARK 210 0.02 MM EDTA. 0.01% NAN3. REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY, 3D_15N-SEPARATED_ REMARK 210 NOESY, HNHA, HNHB, 4D_13C- REMARK 210 SEPARATED_NOESY, HN(CO)CG_ REMARK 210 AROM/HNCG_AROM REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ, 600 MHZ, 750 MHZ, REMARK 210 800 MHZ REMARK 210 SPECTROMETER MODEL : DMX, DRX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NMRPIPE X.X, XWINNMR 4.1.1, REMARK 210 DYANA 1.5 REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS WITH REMARK 210 DYANA. REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 N GLY A 38 O ILE A 78 1.64 REMARK 500 OH TYR A 37 CD GLU A 80 1.80 REMARK 500 CZ TYR A 37 CD GLU A 80 1.82 REMARK 500 OH TYR A 37 OE2 GLU A 80 1.82 REMARK 500 CD2 TYR A 37 CB GLU A 80 1.89 REMARK 500 CE2 TYR A 37 CB GLU A 80 1.94 REMARK 500 CE1 TYR A 37 CG GLU A 80 1.95 REMARK 500 CZ TYR A 37 CG GLU A 80 1.98 REMARK 500 CB TYR A 37 O HIS A 79 2.00 REMARK 500 CA TRP A 41 O TRP A 73 2.08 REMARK 500 CA TYR A 37 O HIS A 79 2.08 REMARK 500 OH TYR A 37 OE1 GLU A 80 2.11 REMARK 500 CB ALA A 35 OE2 GLU A 80 2.12 REMARK 500 O VAL A 34 O LEU A 82 2.16 REMARK 500 O VAL A 34 O ILE A 81 2.19 REMARK 500 OE1 GLU A 14 OE2 GLU A 43 2.19 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ASP A 6 38.53 -91.63 REMARK 500 CYS A 7 93.81 54.99 REMARK 500 GLU A 9 -153.49 -133.32 REMARK 500 SER A 11 66.51 87.56 REMARK 500 ASN A 28 145.65 65.37 REMARK 500 SER A 44 82.68 -154.74 REMARK 500 ASN A 46 56.04 -67.58 REMARK 500 ARG A 55 -70.13 -50.28 REMARK 500 PRO A 60 46.12 -72.37 REMARK 500 PRO A 75 -87.37 -72.30 REMARK 500 HIS A 77 98.45 66.01 REMARK 500 HIS A 79 -78.42 -46.89 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 4833 RELATED DB: BMRB REMARK 900 1H, 13C, AND 15N ASSIGNMENTS FOR THE ANTIFUNGAL PROTEIN REMARK 900 FROM STREPTOMYCES TENDAE TU901 REMARK 900 RELATED ID: 1G6E RELATED DB: PDB REMARK 900 30 CONFORMER ENSEMBLE DBREF 1GH5 A 2 87 UNP Q9RCK8 Q9RCK8_STRTE 43 128 SEQADV 1GH5 MET A 1 UNP Q9RCK8 INITIATING MET SEQRES 1 A 87 MET ILE ASN ARG THR ASP CYS ASN GLU ASN SER TYR LEU SEQRES 2 A 87 GLU ILE HIS ASN ASN GLU GLY ARG ASP THR LEU CYS PHE SEQRES 3 A 87 ALA ASN ALA GLY THR MET PRO VAL ALA ILE TYR GLY VAL SEQRES 4 A 87 ASN TRP VAL GLU SER GLY ASN ASN VAL VAL THR LEU GLN SEQRES 5 A 87 PHE GLN ARG ASN LEU SER ASP PRO ARG LEU GLU THR ILE SEQRES 6 A 87 THR LEU GLN LYS TRP GLY SER TRP ASN PRO GLY HIS ILE SEQRES 7 A 87 HIS GLU ILE LEU SER ILE ARG ILE TYR SHEET 1 A 5 ARG A 4 THR A 5 0 SHEET 2 A 5 ASP A 22 PHE A 26 -1 O CYS A 25 N THR A 5 SHEET 3 A 5 LEU A 13 ASN A 17 -1 O LEU A 13 N PHE A 26 SHEET 4 A 5 VAL A 39 SER A 44 -1 N ASN A 40 O HIS A 16 SHEET 5 A 5 GLY A 71 TRP A 73 -1 N GLY A 71 O SER A 44 SHEET 1 B 4 THR A 31 MET A 32 0 SHEET 2 B 4 GLU A 80 ILE A 86 -1 N ILE A 84 O MET A 32 SHEET 3 B 4 VAL A 49 GLN A 54 -1 O THR A 50 N ARG A 85 SHEET 4 B 4 LEU A 62 LEU A 67 -1 N GLU A 63 O PHE A 53 SSBOND *** CYS A 7 CYS A 25 1555 1555 2.07 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 50 THR OG1 : rot 60:sc= 0.593! USER MOD Set 1.2: A 66 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 87 TYR OH : rot 18:sc= 0.736 USER MOD Set 2.1: A 5 THR OG1 : rot -170:sc= 0.9 USER MOD Set 2.2: A 8 ASN :FLIP amide:sc= 0.976 F(o=-2.1!,f=1.9) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -128:sc= 0 (180deg=-0.198) USER MOD Single : A 3 ASN : amide:sc= -0.272 K(o=-0.27,f=-0.87!) USER MOD Single : A 10 ASN : amide:sc= -0.323 K(o=-0.32,f=-3!) USER MOD Single : A 11 SER OG : rot -60:sc= -0.788! USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HD1:sc= -13.6! C(o=-14!,f=-25!) USER MOD Single : A 17 ASN : amide:sc= -1.33! C(o=-1.3!,f=-8.3!) USER MOD Single : A 18 ASN : amide:sc= -0.0376 X(o=-0.038,f=-0.53) USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.0257 USER MOD Single : A 28 ASN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 31 THR OG1 : rot 140:sc= -0.833 USER MOD Single : A 32 MET CE :methyl -126:sc= -5.8! (180deg=-9.75!) USER MOD Single : A 37 TYR OH : rot -22:sc= -6.02! USER MOD Single : A 40 ASN :FLIP amide:sc= -4.17! C(o=-5.5!,f=-4.2!) USER MOD Single : A 44 SER OG : rot 79:sc= -3.67! USER MOD Single : A 46 ASN : amide:sc= -2.18! C(o=-2.2!,f=-6.8!) USER MOD Single : A 47 ASN : amide:sc= -0.108 K(o=-0.11,f=-1.9) USER MOD Single : A 52 GLN : amide:sc= -0.0121 X(o=-0.012,f=0) USER MOD Single : A 54 GLN : amide:sc= 0.0247 K(o=0.025,f=-2.8!) USER MOD Single : A 56 ASN : amide:sc= -0.195 K(o=-0.19,f=-3.2!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 GLN :FLIP amide:sc= -0.0705 F(o=-0.63,f=-0.07) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 140:sc= -0.0231 USER MOD Single : A 74 ASN : amide:sc= -1.16 K(o=-1.2,f=-6.5!) USER MOD Single : A 77 HIS : no HD1:sc= -6.81! C(o=-6.8!,f=-9.8!) USER MOD Single : A 79 HIS : no HE2:sc= -7.61! C(o=-7.6!,f=-10!) USER MOD Single : A 83 SER OG : rot 180:sc= -4.81! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.577 12.194 9.058 1.00 0.00 N ATOM 2 CA MET A 1 -3.128 12.194 9.058 1.00 0.00 C ATOM 3 C MET A 1 -2.610 10.763 9.060 1.00 0.00 C ATOM 4 O MET A 1 -2.738 10.054 10.056 1.00 0.00 O ATOM 5 CB MET A 1 -2.621 12.952 10.281 1.00 0.00 C ATOM 6 CG MET A 1 -2.740 14.454 10.034 1.00 0.00 C ATOM 7 SD MET A 1 -3.352 15.387 11.459 1.00 0.00 S ATOM 8 CE MET A 1 -2.700 17.022 11.036 1.00 0.00 C ATOM 0 H1 MET A 1 -4.924 12.796 8.285 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.924 11.223 8.923 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.924 12.563 9.966 1.00 0.00 H new ATOM 0 HA MET A 1 -2.762 12.690 8.159 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.198 12.671 11.162 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.583 12.687 10.482 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.763 14.844 9.750 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.408 14.621 9.189 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.981 17.737 11.809 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.613 16.973 10.964 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.113 17.342 10.079 1.00 0.00 H new ATOM 18 N ILE A 2 -2.023 10.339 7.938 1.00 0.00 N ATOM 19 CA ILE A 2 -1.487 8.998 7.813 1.00 0.00 C ATOM 20 C ILE A 2 -0.143 8.913 8.524 1.00 0.00 C ATOM 21 O ILE A 2 0.695 9.800 8.378 1.00 0.00 O ATOM 22 CB ILE A 2 -1.342 8.645 6.336 1.00 0.00 C ATOM 23 CG1 ILE A 2 -0.620 7.307 6.201 1.00 0.00 C ATOM 24 CG2 ILE A 2 -0.536 9.731 5.630 1.00 0.00 C ATOM 25 CD1 ILE A 2 -0.697 6.831 4.753 1.00 0.00 C ATOM 0 H ILE A 2 -1.911 10.915 7.104 1.00 0.00 H new ATOM 0 HA ILE A 2 -2.167 8.284 8.278 1.00 0.00 H new ATOM 0 HB ILE A 2 -2.330 8.572 5.881 1.00 0.00 H new ATOM 0 HG12 ILE A 2 0.421 7.411 6.506 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -1.073 6.569 6.862 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -0.432 9.479 4.575 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -1.051 10.687 5.726 1.00 0.00 H new ATOM 0 HG23 ILE A 2 0.452 9.804 6.084 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -0.181 5.876 4.656 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -1.741 6.711 4.465 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -0.223 7.566 4.103 1.00 0.00 H new ATOM 37 N ASN A 3 0.061 7.842 9.294 1.00 0.00 N ATOM 38 CA ASN A 3 1.300 7.649 10.020 1.00 0.00 C ATOM 39 C ASN A 3 1.710 6.184 9.966 1.00 0.00 C ATOM 40 O ASN A 3 0.858 5.298 9.965 1.00 0.00 O ATOM 41 CB ASN A 3 1.118 8.107 11.464 1.00 0.00 C ATOM 42 CG ASN A 3 1.740 9.478 11.682 1.00 0.00 C ATOM 43 OD1 ASN A 3 2.041 10.184 10.722 1.00 0.00 O ATOM 44 ND2 ASN A 3 1.930 9.856 12.948 1.00 0.00 N ATOM 0 H ASN A 3 -0.624 7.098 9.426 1.00 0.00 H new ATOM 0 HA ASN A 3 2.091 8.242 9.560 1.00 0.00 H new ATOM 0 HB2 ASN A 3 0.056 8.142 11.707 1.00 0.00 H new ATOM 0 HB3 ASN A 3 1.576 7.384 12.139 1.00 0.00 H new ATOM 0 HD21 ASN A 3 2.342 10.767 13.152 1.00 0.00 H new ATOM 0 HD22 ASN A 3 1.664 9.234 13.711 1.00 0.00 H new ATOM 51 N ARG A 4 3.020 5.931 9.923 1.00 0.00 N ATOM 52 CA ARG A 4 3.536 4.578 9.870 1.00 0.00 C ATOM 53 C ARG A 4 3.409 3.923 11.238 1.00 0.00 C ATOM 54 O ARG A 4 4.118 4.290 12.172 1.00 0.00 O ATOM 55 CB ARG A 4 4.994 4.609 9.419 1.00 0.00 C ATOM 56 CG ARG A 4 5.346 3.287 8.743 1.00 0.00 C ATOM 57 CD ARG A 4 6.862 3.118 8.713 1.00 0.00 C ATOM 58 NE ARG A 4 7.407 3.030 10.068 1.00 0.00 N ATOM 59 CZ ARG A 4 8.681 3.330 10.359 1.00 0.00 C ATOM 60 NH1 ARG A 4 9.513 3.731 9.388 1.00 0.00 N ATOM 61 NH2 ARG A 4 9.122 3.228 11.620 1.00 0.00 N ATOM 0 H ARG A 4 3.739 6.655 9.924 1.00 0.00 H new ATOM 0 HA ARG A 4 2.959 3.992 9.154 1.00 0.00 H new ATOM 0 HB2 ARG A 4 5.155 5.437 8.728 1.00 0.00 H new ATOM 0 HB3 ARG A 4 5.647 4.777 10.275 1.00 0.00 H new ATOM 0 HG2 ARG A 4 4.888 2.458 9.282 1.00 0.00 H new ATOM 0 HG3 ARG A 4 4.947 3.268 7.729 1.00 0.00 H new ATOM 0 HD2 ARG A 4 7.120 2.218 8.154 1.00 0.00 H new ATOM 0 HD3 ARG A 4 7.315 3.960 8.189 1.00 0.00 H new ATOM 0 HE ARG A 4 6.792 2.728 10.823 1.00 0.00 H new ATOM 0 HH11 ARG A 4 9.177 3.808 8.428 1.00 0.00 H new ATOM 0 HH12 ARG A 4 10.482 3.959 9.609 1.00 0.00 H new ATOM 0 HH21 ARG A 4 8.489 2.922 12.359 1.00 0.00 H new ATOM 0 HH22 ARG A 4 10.091 3.456 11.841 1.00 0.00 H new ATOM 75 N THR A 5 2.502 2.950 11.354 1.00 0.00 N ATOM 76 CA THR A 5 2.291 2.252 12.606 1.00 0.00 C ATOM 77 C THR A 5 2.716 0.797 12.467 1.00 0.00 C ATOM 78 O THR A 5 2.643 0.227 11.381 1.00 0.00 O ATOM 79 CB THR A 5 0.820 2.350 13.001 1.00 0.00 C ATOM 80 OG1 THR A 5 0.617 1.684 14.227 1.00 0.00 O ATOM 81 CG2 THR A 5 -0.041 1.701 11.921 1.00 0.00 C ATOM 0 H THR A 5 1.905 2.634 10.590 1.00 0.00 H new ATOM 0 HA THR A 5 2.896 2.712 13.388 1.00 0.00 H new ATOM 0 HB THR A 5 0.541 3.398 13.107 1.00 0.00 H new ATOM 0 HG1 THR A 5 -0.344 1.604 14.401 1.00 0.00 H new ATOM 0 HG21 THR A 5 -1.092 1.771 12.203 1.00 0.00 H new ATOM 0 HG22 THR A 5 0.115 2.216 10.973 1.00 0.00 H new ATOM 0 HG23 THR A 5 0.237 0.653 11.815 1.00 0.00 H new ATOM 89 N ASP A 6 3.161 0.197 13.573 1.00 0.00 N ATOM 90 CA ASP A 6 3.596 -1.186 13.569 1.00 0.00 C ATOM 91 C ASP A 6 2.425 -2.094 13.916 1.00 0.00 C ATOM 92 O ASP A 6 2.593 -3.081 14.629 1.00 0.00 O ATOM 93 CB ASP A 6 4.733 -1.363 14.571 1.00 0.00 C ATOM 94 CG ASP A 6 5.901 -2.110 13.941 1.00 0.00 C ATOM 95 OD1 ASP A 6 5.635 -3.166 13.329 1.00 0.00 O ATOM 96 OD2 ASP A 6 7.037 -1.610 14.084 1.00 0.00 O ATOM 0 H ASP A 6 3.227 0.656 14.482 1.00 0.00 H new ATOM 0 HA ASP A 6 3.958 -1.456 12.577 1.00 0.00 H new ATOM 0 HB2 ASP A 6 5.068 -0.387 14.923 1.00 0.00 H new ATOM 0 HB3 ASP A 6 4.373 -1.910 15.442 1.00 0.00 H new ATOM 101 N CYS A 7 1.236 -1.758 13.411 1.00 0.00 N ATOM 102 CA CYS A 7 0.045 -2.542 13.669 1.00 0.00 C ATOM 103 C CYS A 7 -0.157 -2.692 15.170 1.00 0.00 C ATOM 104 O CYS A 7 0.398 -3.599 15.785 1.00 0.00 O ATOM 105 CB CYS A 7 0.182 -3.908 13.002 1.00 0.00 C ATOM 106 SG CYS A 7 1.692 -4.100 12.022 1.00 0.00 S ATOM 0 H CYS A 7 1.081 -0.942 12.819 1.00 0.00 H new ATOM 0 HA CYS A 7 -0.826 -2.036 13.254 1.00 0.00 H new ATOM 0 HB2 CYS A 7 0.159 -4.680 13.771 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -0.681 -4.074 12.357 1.00 0.00 H new ATOM 111 N ASN A 8 -0.955 -1.798 15.759 1.00 0.00 N ATOM 112 CA ASN A 8 -1.225 -1.838 17.182 1.00 0.00 C ATOM 113 C ASN A 8 -2.539 -2.560 17.442 1.00 0.00 C ATOM 114 O ASN A 8 -2.782 -3.034 18.549 1.00 0.00 O ATOM 115 CB ASN A 8 -1.274 -0.414 17.728 1.00 0.00 C ATOM 116 CG ASN A 8 -2.094 0.489 16.818 1.00 0.00 C ATOM 117 OD1 ASN A 8 -1.499 0.910 15.699 1.00 0.00 O flip ATOM 118 ND2 ASN A 8 -3.243 0.801 17.122 1.00 0.00 N flip ATOM 0 H ASN A 8 -1.422 -1.039 15.263 1.00 0.00 H new ATOM 0 HA ASN A 8 -0.430 -2.383 17.690 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -1.707 -0.419 18.728 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -0.262 -0.021 17.821 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -3.654 0.453 17.989 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -3.786 1.408 16.508 1.00 0.00 H new ATOM 125 N GLU A 9 -3.389 -2.644 16.415 1.00 0.00 N ATOM 126 CA GLU A 9 -4.671 -3.308 16.539 1.00 0.00 C ATOM 127 C GLU A 9 -4.889 -4.239 15.355 1.00 0.00 C ATOM 128 O GLU A 9 -3.931 -4.721 14.755 1.00 0.00 O ATOM 129 CB GLU A 9 -5.779 -2.262 16.616 1.00 0.00 C ATOM 130 CG GLU A 9 -6.765 -2.646 17.716 1.00 0.00 C ATOM 131 CD GLU A 9 -8.189 -2.282 17.321 1.00 0.00 C ATOM 132 OE1 GLU A 9 -8.553 -2.589 16.165 1.00 0.00 O ATOM 133 OE2 GLU A 9 -8.886 -1.703 18.181 1.00 0.00 O ATOM 0 H GLU A 9 -3.204 -2.257 15.490 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.688 -3.905 17.451 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -5.353 -1.280 16.821 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -6.295 -2.192 15.658 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -6.700 -3.716 17.911 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -6.499 -2.137 18.642 1.00 0.00 H new ATOM 140 N ASN A 10 -6.157 -4.492 15.018 1.00 0.00 N ATOM 141 CA ASN A 10 -6.493 -5.361 13.909 1.00 0.00 C ATOM 142 C ASN A 10 -7.463 -4.655 12.972 1.00 0.00 C ATOM 143 O ASN A 10 -8.278 -3.847 13.412 1.00 0.00 O ATOM 144 CB ASN A 10 -7.102 -6.654 14.444 1.00 0.00 C ATOM 145 CG ASN A 10 -6.123 -7.811 14.311 1.00 0.00 C ATOM 146 OD1 ASN A 10 -4.959 -7.606 13.974 1.00 0.00 O ATOM 147 ND2 ASN A 10 -6.597 -9.030 14.578 1.00 0.00 N ATOM 0 H ASN A 10 -6.963 -4.101 15.505 1.00 0.00 H new ATOM 0 HA ASN A 10 -5.591 -5.604 13.347 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -7.378 -6.525 15.490 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -8.018 -6.882 13.898 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -5.985 -9.842 14.506 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -7.572 -9.149 14.854 1.00 0.00 H new ATOM 154 N SER A 11 -7.375 -4.964 11.677 1.00 0.00 N ATOM 155 CA SER A 11 -8.244 -4.360 10.687 1.00 0.00 C ATOM 156 C SER A 11 -7.635 -3.057 10.190 1.00 0.00 C ATOM 157 O SER A 11 -8.180 -1.982 10.432 1.00 0.00 O ATOM 158 CB SER A 11 -9.619 -4.115 11.301 1.00 0.00 C ATOM 159 OG SER A 11 -9.643 -2.842 11.907 1.00 0.00 O ATOM 0 H SER A 11 -6.705 -5.633 11.296 1.00 0.00 H new ATOM 0 HA SER A 11 -8.355 -5.033 9.836 1.00 0.00 H new ATOM 0 HB2 SER A 11 -10.389 -4.178 10.532 1.00 0.00 H new ATOM 0 HB3 SER A 11 -9.842 -4.885 12.039 1.00 0.00 H new ATOM 0 HG SER A 11 -8.960 -2.801 12.609 1.00 0.00 H new ATOM 165 N TYR A 12 -6.501 -3.153 9.492 1.00 0.00 N ATOM 166 CA TYR A 12 -5.827 -1.984 8.967 1.00 0.00 C ATOM 167 C TYR A 12 -5.115 -2.337 7.669 1.00 0.00 C ATOM 168 O TYR A 12 -5.110 -3.495 7.257 1.00 0.00 O ATOM 169 CB TYR A 12 -4.835 -1.463 10.003 1.00 0.00 C ATOM 170 CG TYR A 12 -5.473 -0.613 11.075 1.00 0.00 C ATOM 171 CD1 TYR A 12 -6.247 0.498 10.719 1.00 0.00 C ATOM 172 CD2 TYR A 12 -5.292 -0.936 12.425 1.00 0.00 C ATOM 173 CE1 TYR A 12 -6.840 1.286 11.714 1.00 0.00 C ATOM 174 CE2 TYR A 12 -5.884 -0.148 13.420 1.00 0.00 C ATOM 175 CZ TYR A 12 -6.658 0.962 13.064 1.00 0.00 C ATOM 176 OH TYR A 12 -7.236 1.730 14.032 1.00 0.00 O ATOM 0 H TYR A 12 -6.036 -4.036 9.282 1.00 0.00 H new ATOM 0 HA TYR A 12 -6.557 -1.203 8.756 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -4.334 -2.310 10.472 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -4.067 -0.879 9.497 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -6.387 0.747 9.678 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -4.695 -1.793 12.699 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -7.437 2.143 11.440 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -5.743 -0.397 14.461 1.00 0.00 H new ATOM 0 HH TYR A 12 -7.012 1.368 14.914 1.00 0.00 H new ATOM 186 N LEU A 13 -4.513 -1.335 7.024 1.00 0.00 N ATOM 187 CA LEU A 13 -3.802 -1.544 5.778 1.00 0.00 C ATOM 188 C LEU A 13 -2.333 -1.824 6.062 1.00 0.00 C ATOM 189 O LEU A 13 -1.683 -1.069 6.781 1.00 0.00 O ATOM 190 CB LEU A 13 -3.956 -0.311 4.892 1.00 0.00 C ATOM 191 CG LEU A 13 -2.813 -0.265 3.883 1.00 0.00 C ATOM 192 CD1 LEU A 13 -3.188 -1.084 2.651 1.00 0.00 C ATOM 193 CD2 LEU A 13 -2.555 1.182 3.473 1.00 0.00 C ATOM 0 H LEU A 13 -4.509 -0.369 7.353 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.221 -2.405 5.256 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.914 -0.341 4.372 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.953 0.592 5.503 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.912 -0.681 4.335 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.371 -1.051 1.930 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.372 -2.118 2.944 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.089 -0.669 2.198 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.738 1.216 2.752 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.455 1.598 3.021 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.287 1.767 4.353 1.00 0.00 H new ATOM 205 N GLU A 14 -1.811 -2.914 5.495 1.00 0.00 N ATOM 206 CA GLU A 14 -0.423 -3.284 5.690 1.00 0.00 C ATOM 207 C GLU A 14 0.230 -3.579 4.347 1.00 0.00 C ATOM 208 O GLU A 14 -0.415 -4.103 3.442 1.00 0.00 O ATOM 209 CB GLU A 14 -0.347 -4.502 6.607 1.00 0.00 C ATOM 210 CG GLU A 14 -1.294 -4.309 7.788 1.00 0.00 C ATOM 211 CD GLU A 14 -1.938 -5.628 8.189 1.00 0.00 C ATOM 212 OE1 GLU A 14 -1.311 -6.342 9.002 1.00 0.00 O ATOM 213 OE2 GLU A 14 -3.045 -5.899 7.676 1.00 0.00 O ATOM 0 H GLU A 14 -2.337 -3.552 4.897 1.00 0.00 H new ATOM 0 HA GLU A 14 0.114 -2.458 6.157 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.615 -5.403 6.055 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.674 -4.639 6.964 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.746 -3.895 8.635 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -2.067 -3.587 7.525 1.00 0.00 H new ATOM 220 N ILE A 15 1.515 -3.240 4.221 1.00 0.00 N ATOM 221 CA ILE A 15 2.251 -3.470 2.994 1.00 0.00 C ATOM 222 C ILE A 15 3.620 -4.051 3.316 1.00 0.00 C ATOM 223 O ILE A 15 4.420 -3.416 4.000 1.00 0.00 O ATOM 224 CB ILE A 15 2.386 -2.157 2.228 1.00 0.00 C ATOM 225 CG1 ILE A 15 1.000 -1.642 1.851 1.00 0.00 C ATOM 226 CG2 ILE A 15 3.205 -2.388 0.962 1.00 0.00 C ATOM 227 CD1 ILE A 15 1.075 -0.147 1.557 1.00 0.00 C ATOM 0 H ILE A 15 2.062 -2.803 4.963 1.00 0.00 H new ATOM 0 HA ILE A 15 1.713 -4.184 2.371 1.00 0.00 H new ATOM 0 HB ILE A 15 2.888 -1.421 2.856 1.00 0.00 H new ATOM 0 HG12 ILE A 15 0.627 -2.177 0.978 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.298 -1.829 2.663 1.00 0.00 H new ATOM 0 HG21 ILE A 15 3.301 -1.450 0.415 1.00 0.00 H new ATOM 0 HG22 ILE A 15 4.196 -2.754 1.231 1.00 0.00 H new ATOM 0 HG23 ILE A 15 2.704 -3.125 0.334 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.085 0.221 1.288 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.430 0.381 2.442 1.00 0.00 H new ATOM 0 HD13 ILE A 15 1.764 0.027 0.731 1.00 0.00 H new ATOM 239 N HIS A 16 3.890 -5.261 2.821 1.00 0.00 N ATOM 240 CA HIS A 16 5.158 -5.921 3.058 1.00 0.00 C ATOM 241 C HIS A 16 5.851 -6.199 1.732 1.00 0.00 C ATOM 242 O HIS A 16 5.478 -7.127 1.018 1.00 0.00 O ATOM 243 CB HIS A 16 4.919 -7.218 3.825 1.00 0.00 C ATOM 244 CG HIS A 16 4.104 -8.213 3.046 1.00 0.00 C ATOM 245 ND1 HIS A 16 4.602 -9.281 2.325 1.00 0.00 N ATOM 246 CD2 HIS A 16 2.741 -8.214 2.928 1.00 0.00 C ATOM 247 CE1 HIS A 16 3.554 -9.924 1.777 1.00 0.00 C ATOM 248 NE2 HIS A 16 2.417 -9.293 2.129 1.00 0.00 N ATOM 0 H HIS A 16 3.237 -5.799 2.251 1.00 0.00 H new ATOM 0 HA HIS A 16 5.803 -5.275 3.654 1.00 0.00 H new ATOM 0 HB2 HIS A 16 5.879 -7.664 4.083 1.00 0.00 H new ATOM 0 HB3 HIS A 16 4.410 -6.992 4.762 1.00 0.00 H new ATOM 0 HD2 HIS A 16 2.053 -7.510 3.372 1.00 0.00 H new ATOM 0 HE1 HIS A 16 3.615 -10.805 1.155 1.00 0.00 H new ATOM 0 HE2 HIS A 16 1.474 -9.566 1.852 1.00 0.00 H new ATOM 257 N ASN A 17 6.862 -5.392 1.403 1.00 0.00 N ATOM 258 CA ASN A 17 7.599 -5.558 0.166 1.00 0.00 C ATOM 259 C ASN A 17 8.920 -6.262 0.440 1.00 0.00 C ATOM 260 O ASN A 17 9.164 -6.719 1.555 1.00 0.00 O ATOM 261 CB ASN A 17 7.838 -4.191 -0.469 1.00 0.00 C ATOM 262 CG ASN A 17 8.485 -3.236 0.524 1.00 0.00 C ATOM 263 OD1 ASN A 17 8.614 -3.557 1.703 1.00 0.00 O ATOM 264 ND2 ASN A 17 8.894 -2.059 0.044 1.00 0.00 N ATOM 0 H ASN A 17 7.183 -4.617 1.983 1.00 0.00 H new ATOM 0 HA ASN A 17 7.021 -6.171 -0.525 1.00 0.00 H new ATOM 0 HB2 ASN A 17 8.478 -4.299 -1.345 1.00 0.00 H new ATOM 0 HB3 ASN A 17 6.891 -3.776 -0.815 1.00 0.00 H new ATOM 0 HD21 ASN A 17 9.336 -1.381 0.665 1.00 0.00 H new ATOM 0 HD22 ASN A 17 8.765 -1.838 -0.943 1.00 0.00 H new ATOM 271 N ASN A 18 9.775 -6.349 -0.582 1.00 0.00 N ATOM 272 CA ASN A 18 11.065 -6.996 -0.445 1.00 0.00 C ATOM 273 C ASN A 18 10.875 -8.456 -0.058 1.00 0.00 C ATOM 274 O ASN A 18 11.670 -9.009 0.698 1.00 0.00 O ATOM 275 CB ASN A 18 11.891 -6.261 0.607 1.00 0.00 C ATOM 276 CG ASN A 18 12.549 -5.024 0.014 1.00 0.00 C ATOM 277 OD1 ASN A 18 13.156 -5.093 -1.052 1.00 0.00 O ATOM 278 ND2 ASN A 18 12.427 -3.890 0.708 1.00 0.00 N ATOM 0 H ASN A 18 9.589 -5.976 -1.513 1.00 0.00 H new ATOM 0 HA ASN A 18 11.596 -6.961 -1.396 1.00 0.00 H new ATOM 0 HB2 ASN A 18 11.251 -5.973 1.441 1.00 0.00 H new ATOM 0 HB3 ASN A 18 12.655 -6.928 1.007 1.00 0.00 H new ATOM 0 HD21 ASN A 18 12.848 -3.030 0.357 1.00 0.00 H new ATOM 0 HD22 ASN A 18 11.913 -3.884 1.589 1.00 0.00 H new ATOM 285 N GLU A 19 9.817 -9.081 -0.581 1.00 0.00 N ATOM 286 CA GLU A 19 9.532 -10.471 -0.289 1.00 0.00 C ATOM 287 C GLU A 19 9.177 -10.630 1.183 1.00 0.00 C ATOM 288 O GLU A 19 9.457 -11.665 1.783 1.00 0.00 O ATOM 289 CB GLU A 19 10.745 -11.324 -0.648 1.00 0.00 C ATOM 290 CG GLU A 19 10.933 -11.329 -2.162 1.00 0.00 C ATOM 291 CD GLU A 19 12.138 -12.171 -2.557 1.00 0.00 C ATOM 292 OE1 GLU A 19 11.967 -13.408 -2.627 1.00 0.00 O ATOM 293 OE2 GLU A 19 13.207 -11.563 -2.781 1.00 0.00 O ATOM 0 H GLU A 19 9.147 -8.637 -1.209 1.00 0.00 H new ATOM 0 HA GLU A 19 8.681 -10.803 -0.884 1.00 0.00 H new ATOM 0 HB2 GLU A 19 11.637 -10.930 -0.161 1.00 0.00 H new ATOM 0 HB3 GLU A 19 10.607 -12.342 -0.285 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.037 -11.722 -2.642 1.00 0.00 H new ATOM 0 HG3 GLU A 19 11.065 -10.308 -2.519 1.00 0.00 H new ATOM 300 N GLY A 20 8.557 -9.600 1.765 1.00 0.00 N ATOM 301 CA GLY A 20 8.170 -9.636 3.161 1.00 0.00 C ATOM 302 C GLY A 20 9.363 -9.309 4.048 1.00 0.00 C ATOM 303 O GLY A 20 9.591 -9.975 5.055 1.00 0.00 O ATOM 0 H GLY A 20 8.316 -8.734 1.283 1.00 0.00 H new ATOM 0 HA2 GLY A 20 7.367 -8.921 3.341 1.00 0.00 H new ATOM 0 HA3 GLY A 20 7.781 -10.623 3.412 1.00 0.00 H new ATOM 307 N ARG A 21 10.124 -8.279 3.670 1.00 0.00 N ATOM 308 CA ARG A 21 11.288 -7.870 4.430 1.00 0.00 C ATOM 309 C ARG A 21 10.925 -6.710 5.346 1.00 0.00 C ATOM 310 O ARG A 21 11.277 -6.713 6.523 1.00 0.00 O ATOM 311 CB ARG A 21 12.406 -7.472 3.470 1.00 0.00 C ATOM 312 CG ARG A 21 13.751 -7.581 4.183 1.00 0.00 C ATOM 313 CD ARG A 21 14.167 -6.205 4.697 1.00 0.00 C ATOM 314 NE ARG A 21 15.613 -6.139 4.911 1.00 0.00 N ATOM 315 CZ ARG A 21 16.183 -5.265 5.750 1.00 0.00 C ATOM 316 NH1 ARG A 21 15.423 -4.402 6.438 1.00 0.00 N ATOM 317 NH2 ARG A 21 17.515 -5.252 5.903 1.00 0.00 N ATOM 0 H ARG A 21 9.947 -7.717 2.838 1.00 0.00 H new ATOM 0 HA ARG A 21 11.634 -8.699 5.047 1.00 0.00 H new ATOM 0 HB2 ARG A 21 12.394 -8.119 2.593 1.00 0.00 H new ATOM 0 HB3 ARG A 21 12.251 -6.453 3.117 1.00 0.00 H new ATOM 0 HG2 ARG A 21 13.679 -8.284 5.012 1.00 0.00 H new ATOM 0 HG3 ARG A 21 14.506 -7.970 3.500 1.00 0.00 H new ATOM 0 HD2 ARG A 21 13.867 -5.440 3.981 1.00 0.00 H new ATOM 0 HD3 ARG A 21 13.648 -5.990 5.631 1.00 0.00 H new ATOM 0 HE ARG A 21 16.212 -6.786 4.399 1.00 0.00 H new ATOM 0 HH11 ARG A 21 14.410 -4.411 6.323 1.00 0.00 H new ATOM 0 HH12 ARG A 21 15.858 -3.736 7.077 1.00 0.00 H new ATOM 0 HH21 ARG A 21 18.095 -5.908 5.380 1.00 0.00 H new ATOM 0 HH22 ARG A 21 17.948 -4.586 6.542 1.00 0.00 H new ATOM 331 N ASP A 22 10.219 -5.717 4.802 1.00 0.00 N ATOM 332 CA ASP A 22 9.813 -4.557 5.571 1.00 0.00 C ATOM 333 C ASP A 22 8.314 -4.339 5.421 1.00 0.00 C ATOM 334 O ASP A 22 7.828 -4.089 4.320 1.00 0.00 O ATOM 335 CB ASP A 22 10.588 -3.333 5.091 1.00 0.00 C ATOM 336 CG ASP A 22 12.065 -3.456 5.437 1.00 0.00 C ATOM 337 OD1 ASP A 22 12.357 -4.118 6.456 1.00 0.00 O ATOM 338 OD2 ASP A 22 12.876 -2.885 4.676 1.00 0.00 O ATOM 0 H ASP A 22 9.919 -5.701 3.827 1.00 0.00 H new ATOM 0 HA ASP A 22 10.033 -4.719 6.626 1.00 0.00 H new ATOM 0 HB2 ASP A 22 10.471 -3.223 4.013 1.00 0.00 H new ATOM 0 HB3 ASP A 22 10.176 -2.434 5.550 1.00 0.00 H new ATOM 343 N THR A 23 7.580 -4.435 6.532 1.00 0.00 N ATOM 344 CA THR A 23 6.144 -4.246 6.514 1.00 0.00 C ATOM 345 C THR A 23 5.796 -2.859 7.035 1.00 0.00 C ATOM 346 O THR A 23 6.498 -2.318 7.886 1.00 0.00 O ATOM 347 CB THR A 23 5.480 -5.325 7.365 1.00 0.00 C ATOM 348 OG1 THR A 23 5.782 -6.595 6.833 1.00 0.00 O ATOM 349 CG2 THR A 23 3.968 -5.118 7.360 1.00 0.00 C ATOM 0 H THR A 23 7.966 -4.643 7.453 1.00 0.00 H new ATOM 0 HA THR A 23 5.777 -4.329 5.491 1.00 0.00 H new ATOM 0 HB THR A 23 5.852 -5.261 8.388 1.00 0.00 H new ATOM 0 HG1 THR A 23 5.357 -7.288 7.380 1.00 0.00 H new ATOM 0 HG21 THR A 23 3.493 -5.888 7.968 1.00 0.00 H new ATOM 0 HG22 THR A 23 3.734 -4.136 7.771 1.00 0.00 H new ATOM 0 HG23 THR A 23 3.595 -5.182 6.338 1.00 0.00 H new ATOM 357 N LEU A 24 4.707 -2.283 6.520 1.00 0.00 N ATOM 358 CA LEU A 24 4.271 -0.965 6.933 1.00 0.00 C ATOM 359 C LEU A 24 2.772 -0.976 7.199 1.00 0.00 C ATOM 360 O LEU A 24 1.979 -1.194 6.286 1.00 0.00 O ATOM 361 CB LEU A 24 4.619 0.049 5.848 1.00 0.00 C ATOM 362 CG LEU A 24 5.973 -0.303 5.239 1.00 0.00 C ATOM 363 CD1 LEU A 24 5.801 -0.598 3.751 1.00 0.00 C ATOM 364 CD2 LEU A 24 6.932 0.871 5.417 1.00 0.00 C ATOM 0 H LEU A 24 4.115 -2.719 5.813 1.00 0.00 H new ATOM 0 HA LEU A 24 4.781 -0.682 7.854 1.00 0.00 H new ATOM 0 HB2 LEU A 24 3.850 0.050 5.076 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.648 1.054 6.270 1.00 0.00 H new ATOM 0 HG LEU A 24 6.378 -1.182 5.739 1.00 0.00 H new ATOM 0 HD11 LEU A 24 6.768 -0.849 3.316 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.116 -1.437 3.623 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.395 0.281 3.250 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.899 0.620 4.982 1.00 0.00 H new ATOM 0 HD22 LEU A 24 6.527 1.751 4.917 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.056 1.082 6.479 1.00 0.00 H new ATOM 376 N CYS A 25 2.385 -0.741 8.455 1.00 0.00 N ATOM 377 CA CYS A 25 0.987 -0.725 8.836 1.00 0.00 C ATOM 378 C CYS A 25 0.501 0.712 8.949 1.00 0.00 C ATOM 379 O CYS A 25 1.025 1.485 9.748 1.00 0.00 O ATOM 380 CB CYS A 25 0.813 -1.461 10.161 1.00 0.00 C ATOM 381 SG CYS A 25 1.697 -3.038 10.248 1.00 0.00 S ATOM 0 H CYS A 25 3.031 -0.559 9.223 1.00 0.00 H new ATOM 0 HA CYS A 25 0.392 -1.230 8.075 1.00 0.00 H new ATOM 0 HB2 CYS A 25 1.158 -0.818 10.970 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.249 -1.642 10.328 1.00 0.00 H new ATOM 386 N PHE A 26 -0.504 1.070 8.146 1.00 0.00 N ATOM 387 CA PHE A 26 -1.052 2.412 8.162 1.00 0.00 C ATOM 388 C PHE A 26 -2.439 2.395 8.790 1.00 0.00 C ATOM 389 O PHE A 26 -3.122 1.373 8.764 1.00 0.00 O ATOM 390 CB PHE A 26 -1.110 2.953 6.737 1.00 0.00 C ATOM 391 CG PHE A 26 0.251 3.145 6.109 1.00 0.00 C ATOM 392 CD1 PHE A 26 1.010 4.280 6.417 1.00 0.00 C ATOM 393 CD2 PHE A 26 0.754 2.186 5.222 1.00 0.00 C ATOM 394 CE1 PHE A 26 2.272 4.457 5.837 1.00 0.00 C ATOM 395 CE2 PHE A 26 2.015 2.363 4.642 1.00 0.00 C ATOM 396 CZ PHE A 26 2.774 3.498 4.950 1.00 0.00 C ATOM 0 H PHE A 26 -0.950 0.441 7.478 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.413 3.064 8.758 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -1.693 2.268 6.120 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -1.638 3.907 6.740 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.622 5.019 7.102 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.169 1.310 4.985 1.00 0.00 H new ATOM 0 HE1 PHE A 26 2.858 5.333 6.074 1.00 0.00 H new ATOM 0 HE2 PHE A 26 2.403 1.624 3.957 1.00 0.00 H new ATOM 0 HZ PHE A 26 3.748 3.634 4.503 1.00 0.00 H new ATOM 406 N ALA A 27 -2.854 3.531 9.354 1.00 0.00 N ATOM 407 CA ALA A 27 -4.153 3.641 9.985 1.00 0.00 C ATOM 408 C ALA A 27 -4.760 5.004 9.681 1.00 0.00 C ATOM 409 O ALA A 27 -4.115 5.850 9.067 1.00 0.00 O ATOM 410 CB ALA A 27 -4.006 3.439 11.491 1.00 0.00 C ATOM 0 H ALA A 27 -2.300 4.387 9.382 1.00 0.00 H new ATOM 0 HA ALA A 27 -4.818 2.872 9.592 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -4.983 3.522 11.966 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.590 2.451 11.687 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.340 4.200 11.897 1.00 0.00 H new ATOM 416 N ASN A 28 -6.006 5.214 10.113 1.00 0.00 N ATOM 417 CA ASN A 28 -6.690 6.471 9.884 1.00 0.00 C ATOM 418 C ASN A 28 -6.922 6.672 8.393 1.00 0.00 C ATOM 419 O ASN A 28 -6.098 6.269 7.575 1.00 0.00 O ATOM 420 CB ASN A 28 -5.859 7.613 10.461 1.00 0.00 C ATOM 421 CG ASN A 28 -6.072 7.736 11.963 1.00 0.00 C ATOM 422 OD1 ASN A 28 -6.607 6.826 12.592 1.00 0.00 O ATOM 423 ND2 ASN A 28 -5.651 8.865 12.537 1.00 0.00 N ATOM 0 H ASN A 28 -6.555 4.523 10.624 1.00 0.00 H new ATOM 0 HA ASN A 28 -7.660 6.456 10.381 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -4.803 7.441 10.252 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -6.132 8.549 9.973 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -5.768 9.001 13.541 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -5.212 9.592 11.972 1.00 0.00 H new ATOM 430 N ALA A 29 -8.047 7.299 8.042 1.00 0.00 N ATOM 431 CA ALA A 29 -8.381 7.550 6.655 1.00 0.00 C ATOM 432 C ALA A 29 -7.345 8.477 6.035 1.00 0.00 C ATOM 433 O ALA A 29 -7.350 8.695 4.825 1.00 0.00 O ATOM 434 CB ALA A 29 -9.775 8.164 6.572 1.00 0.00 C ATOM 0 H ALA A 29 -8.739 7.640 8.709 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.378 6.612 6.100 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -10.028 8.353 5.529 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -10.502 7.475 7.002 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -9.793 9.103 7.126 1.00 0.00 H new ATOM 440 N GLY A 30 -6.455 9.024 6.866 1.00 0.00 N ATOM 441 CA GLY A 30 -5.423 9.923 6.391 1.00 0.00 C ATOM 442 C GLY A 30 -4.894 9.453 5.043 1.00 0.00 C ATOM 443 O GLY A 30 -4.982 8.272 4.716 1.00 0.00 O ATOM 0 H GLY A 30 -6.436 8.854 7.872 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.824 10.933 6.300 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.608 9.967 7.114 1.00 0.00 H new ATOM 447 N THR A 31 -4.345 10.383 4.258 1.00 0.00 N ATOM 448 CA THR A 31 -3.807 10.057 2.953 1.00 0.00 C ATOM 449 C THR A 31 -2.515 10.826 2.718 1.00 0.00 C ATOM 450 O THR A 31 -2.514 12.055 2.705 1.00 0.00 O ATOM 451 CB THR A 31 -4.839 10.393 1.880 1.00 0.00 C ATOM 452 OG1 THR A 31 -5.922 9.495 1.973 1.00 0.00 O ATOM 453 CG2 THR A 31 -4.196 10.275 0.501 1.00 0.00 C ATOM 0 H THR A 31 -4.265 11.368 4.512 1.00 0.00 H new ATOM 0 HA THR A 31 -3.584 8.991 2.904 1.00 0.00 H new ATOM 0 HB THR A 31 -5.198 11.412 2.027 1.00 0.00 H new ATOM 0 HG1 THR A 31 -6.762 9.979 1.830 1.00 0.00 H new ATOM 0 HG21 THR A 31 -4.933 10.515 -0.266 1.00 0.00 H new ATOM 0 HG22 THR A 31 -3.359 10.969 0.429 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.837 9.257 0.353 1.00 0.00 H new ATOM 461 N MET A 32 -1.411 10.099 2.530 1.00 0.00 N ATOM 462 CA MET A 32 -0.121 10.716 2.298 1.00 0.00 C ATOM 463 C MET A 32 0.665 9.906 1.277 1.00 0.00 C ATOM 464 O MET A 32 0.413 8.717 1.097 1.00 0.00 O ATOM 465 CB MET A 32 0.642 10.808 3.617 1.00 0.00 C ATOM 466 CG MET A 32 1.216 9.439 3.969 1.00 0.00 C ATOM 467 SD MET A 32 2.081 9.392 5.558 1.00 0.00 S ATOM 468 CE MET A 32 2.470 7.625 5.624 1.00 0.00 C ATOM 0 H MET A 32 -1.394 9.079 2.536 1.00 0.00 H new ATOM 0 HA MET A 32 -0.262 11.722 1.902 1.00 0.00 H new ATOM 0 HB2 MET A 32 1.445 11.541 3.535 1.00 0.00 H new ATOM 0 HB3 MET A 32 -0.022 11.151 4.410 1.00 0.00 H new ATOM 0 HG2 MET A 32 0.406 8.710 3.986 1.00 0.00 H new ATOM 0 HG3 MET A 32 1.905 9.132 3.182 1.00 0.00 H new ATOM 0 HE1 MET A 32 2.099 7.205 6.559 1.00 0.00 H new ATOM 0 HE2 MET A 32 1.996 7.116 4.784 1.00 0.00 H new ATOM 0 HE3 MET A 32 3.550 7.488 5.568 1.00 0.00 H new ATOM 478 N PRO A 33 1.621 10.555 0.608 1.00 0.00 N ATOM 479 CA PRO A 33 2.468 9.949 -0.397 1.00 0.00 C ATOM 480 C PRO A 33 3.470 9.019 0.273 1.00 0.00 C ATOM 481 O PRO A 33 4.139 9.409 1.227 1.00 0.00 O ATOM 482 CB PRO A 33 3.176 11.122 -1.071 1.00 0.00 C ATOM 483 CG PRO A 33 3.262 12.156 0.051 1.00 0.00 C ATOM 484 CD PRO A 33 1.944 11.953 0.795 1.00 0.00 C ATOM 0 HA PRO A 33 1.910 9.350 -1.117 1.00 0.00 H new ATOM 0 HB2 PRO A 33 4.163 10.841 -1.439 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.613 11.498 -1.925 1.00 0.00 H new ATOM 0 HG2 PRO A 33 4.123 11.982 0.697 1.00 0.00 H new ATOM 0 HG3 PRO A 33 3.355 13.170 -0.339 1.00 0.00 H new ATOM 0 HD2 PRO A 33 2.046 12.197 1.853 1.00 0.00 H new ATOM 0 HD3 PRO A 33 1.161 12.596 0.394 1.00 0.00 H new ATOM 492 N VAL A 34 3.569 7.786 -0.228 1.00 0.00 N ATOM 493 CA VAL A 34 4.485 6.808 0.324 1.00 0.00 C ATOM 494 C VAL A 34 5.274 6.150 -0.799 1.00 0.00 C ATOM 495 O VAL A 34 4.867 6.199 -1.957 1.00 0.00 O ATOM 496 CB VAL A 34 3.699 5.765 1.115 1.00 0.00 C ATOM 497 CG1 VAL A 34 2.749 6.469 2.080 1.00 0.00 C ATOM 498 CG2 VAL A 34 2.894 4.897 0.152 1.00 0.00 C ATOM 0 H VAL A 34 3.020 7.448 -1.018 1.00 0.00 H new ATOM 0 HA VAL A 34 5.188 7.301 0.996 1.00 0.00 H new ATOM 0 HB VAL A 34 4.391 5.138 1.678 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.187 5.725 2.645 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.323 7.090 2.768 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.057 7.095 1.517 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.333 4.152 0.716 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.202 5.523 -0.411 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.572 4.395 -0.538 1.00 0.00 H new ATOM 508 N ALA A 35 6.407 5.535 -0.453 1.00 0.00 N ATOM 509 CA ALA A 35 7.247 4.873 -1.431 1.00 0.00 C ATOM 510 C ALA A 35 7.524 3.443 -0.990 1.00 0.00 C ATOM 511 O ALA A 35 8.243 3.220 -0.018 1.00 0.00 O ATOM 512 CB ALA A 35 8.549 5.652 -1.592 1.00 0.00 C ATOM 0 H ALA A 35 6.758 5.486 0.504 1.00 0.00 H new ATOM 0 HA ALA A 35 6.736 4.842 -2.394 1.00 0.00 H new ATOM 0 HB1 ALA A 35 9.182 5.155 -2.327 1.00 0.00 H new ATOM 0 HB2 ALA A 35 8.328 6.665 -1.929 1.00 0.00 H new ATOM 0 HB3 ALA A 35 9.069 5.693 -0.635 1.00 0.00 H new ATOM 518 N ILE A 36 6.951 2.473 -1.706 1.00 0.00 N ATOM 519 CA ILE A 36 7.138 1.072 -1.388 1.00 0.00 C ATOM 520 C ILE A 36 7.587 0.317 -2.631 1.00 0.00 C ATOM 521 O ILE A 36 6.810 0.139 -3.566 1.00 0.00 O ATOM 522 CB ILE A 36 5.833 0.495 -0.846 1.00 0.00 C ATOM 523 CG1 ILE A 36 5.625 0.969 0.590 1.00 0.00 C ATOM 524 CG2 ILE A 36 5.901 -1.029 -0.873 1.00 0.00 C ATOM 525 CD1 ILE A 36 4.208 1.515 0.744 1.00 0.00 C ATOM 0 H ILE A 36 6.351 2.643 -2.513 1.00 0.00 H new ATOM 0 HA ILE A 36 7.910 0.968 -0.625 1.00 0.00 H new ATOM 0 HB ILE A 36 5.002 0.833 -1.465 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.786 0.144 1.284 1.00 0.00 H new ATOM 0 HG13 ILE A 36 6.353 1.741 0.839 1.00 0.00 H new ATOM 0 HG21 ILE A 36 4.969 -1.442 -0.486 1.00 0.00 H new ATOM 0 HG22 ILE A 36 6.050 -1.368 -1.898 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.732 -1.367 -0.254 1.00 0.00 H new ATOM 0 HD11 ILE A 36 4.058 1.854 1.769 1.00 0.00 H new ATOM 0 HD12 ILE A 36 4.064 2.352 0.060 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.488 0.730 0.513 1.00 0.00 H new ATOM 537 N TYR A 37 8.846 -0.127 -2.641 1.00 0.00 N ATOM 538 CA TYR A 37 9.389 -0.857 -3.769 1.00 0.00 C ATOM 539 C TYR A 37 9.448 -2.342 -3.442 1.00 0.00 C ATOM 540 O TYR A 37 9.897 -2.726 -2.364 1.00 0.00 O ATOM 541 CB TYR A 37 10.779 -0.320 -4.098 1.00 0.00 C ATOM 542 CG TYR A 37 10.826 1.182 -4.248 1.00 0.00 C ATOM 543 CD1 TYR A 37 10.840 1.999 -3.111 1.00 0.00 C ATOM 544 CD2 TYR A 37 10.854 1.757 -5.524 1.00 0.00 C ATOM 545 CE1 TYR A 37 10.883 3.391 -3.250 1.00 0.00 C ATOM 546 CE2 TYR A 37 10.898 3.150 -5.663 1.00 0.00 C ATOM 547 CZ TYR A 37 10.912 3.967 -4.526 1.00 0.00 C ATOM 548 OH TYR A 37 10.955 5.323 -4.661 1.00 0.00 O ATOM 0 H TYR A 37 9.504 0.011 -1.874 1.00 0.00 H new ATOM 0 HA TYR A 37 8.746 -0.723 -4.639 1.00 0.00 H new ATOM 0 HB2 TYR A 37 11.471 -0.620 -3.311 1.00 0.00 H new ATOM 0 HB3 TYR A 37 11.128 -0.780 -5.022 1.00 0.00 H new ATOM 0 HD1 TYR A 37 10.818 1.555 -2.127 1.00 0.00 H new ATOM 0 HD2 TYR A 37 10.842 1.127 -6.401 1.00 0.00 H new ATOM 0 HE1 TYR A 37 10.894 4.021 -2.373 1.00 0.00 H new ATOM 0 HE2 TYR A 37 10.921 3.594 -6.647 1.00 0.00 H new ATOM 0 HH TYR A 37 10.617 5.744 -3.843 1.00 0.00 H new ATOM 558 N GLY A 38 8.993 -3.180 -4.377 1.00 0.00 N ATOM 559 CA GLY A 38 8.999 -4.616 -4.179 1.00 0.00 C ATOM 560 C GLY A 38 7.757 -5.047 -3.412 1.00 0.00 C ATOM 561 O GLY A 38 7.861 -5.641 -2.341 1.00 0.00 O ATOM 0 H GLY A 38 8.617 -2.880 -5.277 1.00 0.00 H new ATOM 0 HA2 GLY A 38 9.034 -5.123 -5.143 1.00 0.00 H new ATOM 0 HA3 GLY A 38 9.894 -4.911 -3.631 1.00 0.00 H new ATOM 565 N VAL A 39 6.579 -4.746 -3.963 1.00 0.00 N ATOM 566 CA VAL A 39 5.325 -5.102 -3.330 1.00 0.00 C ATOM 567 C VAL A 39 4.993 -6.558 -3.628 1.00 0.00 C ATOM 568 O VAL A 39 4.758 -6.920 -4.779 1.00 0.00 O ATOM 569 CB VAL A 39 4.220 -4.181 -3.838 1.00 0.00 C ATOM 570 CG1 VAL A 39 2.947 -4.419 -3.031 1.00 0.00 C ATOM 571 CG2 VAL A 39 4.658 -2.727 -3.680 1.00 0.00 C ATOM 0 H VAL A 39 6.476 -4.254 -4.851 1.00 0.00 H new ATOM 0 HA VAL A 39 5.411 -4.983 -2.250 1.00 0.00 H new ATOM 0 HB VAL A 39 4.027 -4.391 -4.890 1.00 0.00 H new ATOM 0 HG11 VAL A 39 2.158 -3.761 -3.394 1.00 0.00 H new ATOM 0 HG12 VAL A 39 2.634 -5.457 -3.143 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.139 -4.209 -1.979 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.869 -2.068 -4.043 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.851 -2.517 -2.628 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.567 -2.556 -4.257 1.00 0.00 H new ATOM 581 N ASN A 40 4.974 -7.393 -2.587 1.00 0.00 N ATOM 582 CA ASN A 40 4.671 -8.801 -2.744 1.00 0.00 C ATOM 583 C ASN A 40 3.231 -9.071 -2.329 1.00 0.00 C ATOM 584 O ASN A 40 2.538 -9.864 -2.963 1.00 0.00 O ATOM 585 CB ASN A 40 5.640 -9.626 -1.902 1.00 0.00 C ATOM 586 CG ASN A 40 6.969 -9.805 -2.621 1.00 0.00 C ATOM 587 OD1 ASN A 40 7.493 -8.717 -3.190 1.00 0.00 O flip ATOM 588 ND2 ASN A 40 7.510 -10.907 -2.664 1.00 0.00 N flip ATOM 0 H ASN A 40 5.167 -7.109 -1.627 1.00 0.00 H new ATOM 0 HA ASN A 40 4.785 -9.086 -3.790 1.00 0.00 H new ATOM 0 HB2 ASN A 40 5.804 -9.134 -0.943 1.00 0.00 H new ATOM 0 HB3 ASN A 40 5.203 -10.602 -1.689 1.00 0.00 H new ATOM 0 HD21 ASN A 40 7.070 -11.709 -2.213 1.00 0.00 H new ATOM 0 HD22 ASN A 40 8.399 -11.020 -3.150 1.00 0.00 H new ATOM 595 N TRP A 41 2.782 -8.409 -1.261 1.00 0.00 N ATOM 596 CA TRP A 41 1.428 -8.581 -0.772 1.00 0.00 C ATOM 597 C TRP A 41 1.056 -7.423 0.141 1.00 0.00 C ATOM 598 O TRP A 41 1.920 -6.837 0.790 1.00 0.00 O ATOM 599 CB TRP A 41 1.322 -9.911 -0.031 1.00 0.00 C ATOM 600 CG TRP A 41 0.033 -10.125 0.695 1.00 0.00 C ATOM 601 CD1 TRP A 41 -0.480 -9.302 1.635 1.00 0.00 C ATOM 602 CD2 TRP A 41 -0.922 -11.222 0.562 1.00 0.00 C ATOM 603 NE1 TRP A 41 -1.679 -9.810 2.090 1.00 0.00 N ATOM 604 CE2 TRP A 41 -1.999 -10.996 1.461 1.00 0.00 C ATOM 605 CE3 TRP A 41 -0.987 -12.386 -0.226 1.00 0.00 C ATOM 606 CZ2 TRP A 41 -3.081 -11.873 1.572 1.00 0.00 C ATOM 607 CZ3 TRP A 41 -2.069 -13.272 -0.121 1.00 0.00 C ATOM 608 CH2 TRP A 41 -3.115 -13.020 0.774 1.00 0.00 C ATOM 0 H TRP A 41 3.344 -7.749 -0.723 1.00 0.00 H new ATOM 0 HA TRP A 41 0.733 -8.591 -1.612 1.00 0.00 H new ATOM 0 HB2 TRP A 41 1.458 -10.721 -0.747 1.00 0.00 H new ATOM 0 HB3 TRP A 41 2.141 -9.978 0.685 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -0.022 -8.386 1.978 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -2.257 -9.365 2.803 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -0.191 -12.601 -0.923 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -3.882 -11.667 2.267 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -2.095 -14.158 -0.737 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -3.944 -13.708 0.848 1.00 0.00 H new ATOM 619 N VAL A 42 -0.237 -7.092 0.191 1.00 0.00 N ATOM 620 CA VAL A 42 -0.718 -6.008 1.022 1.00 0.00 C ATOM 621 C VAL A 42 -1.977 -6.443 1.758 1.00 0.00 C ATOM 622 O VAL A 42 -2.815 -7.146 1.197 1.00 0.00 O ATOM 623 CB VAL A 42 -0.996 -4.785 0.152 1.00 0.00 C ATOM 624 CG1 VAL A 42 -1.973 -3.860 0.871 1.00 0.00 C ATOM 625 CG2 VAL A 42 0.311 -4.040 -0.109 1.00 0.00 C ATOM 0 H VAL A 42 -0.966 -7.568 -0.341 1.00 0.00 H new ATOM 0 HA VAL A 42 0.040 -5.747 1.761 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.429 -5.104 -0.796 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.171 -2.987 0.250 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.906 -4.391 1.059 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.541 -3.540 1.819 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.114 -3.166 -0.730 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.744 -3.721 0.839 1.00 0.00 H new ATOM 0 HG23 VAL A 42 1.010 -4.700 -0.623 1.00 0.00 H new ATOM 635 N GLU A 43 -2.110 -6.023 3.019 1.00 0.00 N ATOM 636 CA GLU A 43 -3.266 -6.372 3.820 1.00 0.00 C ATOM 637 C GLU A 43 -4.298 -5.254 3.758 1.00 0.00 C ATOM 638 O GLU A 43 -3.961 -4.111 3.455 1.00 0.00 O ATOM 639 CB GLU A 43 -2.828 -6.624 5.260 1.00 0.00 C ATOM 640 CG GLU A 43 -1.558 -7.469 5.264 1.00 0.00 C ATOM 641 CD GLU A 43 -1.508 -8.368 6.492 1.00 0.00 C ATOM 642 OE1 GLU A 43 -2.023 -9.502 6.386 1.00 0.00 O ATOM 643 OE2 GLU A 43 -0.955 -7.904 7.512 1.00 0.00 O ATOM 0 H GLU A 43 -1.425 -5.440 3.500 1.00 0.00 H new ATOM 0 HA GLU A 43 -3.723 -7.281 3.427 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.649 -5.676 5.768 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.620 -7.135 5.808 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -1.519 -8.078 4.361 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.683 -6.819 5.249 1.00 0.00 H new ATOM 650 N SER A 44 -5.558 -5.586 4.048 1.00 0.00 N ATOM 651 CA SER A 44 -6.629 -4.610 4.025 1.00 0.00 C ATOM 652 C SER A 44 -7.753 -5.056 4.950 1.00 0.00 C ATOM 653 O SER A 44 -8.735 -5.641 4.499 1.00 0.00 O ATOM 654 CB SER A 44 -7.137 -4.447 2.596 1.00 0.00 C ATOM 655 OG SER A 44 -6.047 -4.482 1.703 1.00 0.00 O ATOM 0 H SER A 44 -5.854 -6.529 4.301 1.00 0.00 H new ATOM 0 HA SER A 44 -6.257 -3.647 4.376 1.00 0.00 H new ATOM 0 HB2 SER A 44 -7.843 -5.242 2.357 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.674 -3.504 2.495 1.00 0.00 H new ATOM 0 HG SER A 44 -5.773 -5.412 1.558 1.00 0.00 H new ATOM 661 N GLY A 45 -7.608 -4.777 6.248 1.00 0.00 N ATOM 662 CA GLY A 45 -8.612 -5.151 7.223 1.00 0.00 C ATOM 663 C GLY A 45 -9.999 -4.764 6.728 1.00 0.00 C ATOM 664 O GLY A 45 -10.169 -4.413 5.562 1.00 0.00 O ATOM 0 H GLY A 45 -6.800 -4.292 6.640 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -8.570 -6.225 7.405 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -8.407 -4.658 8.173 1.00 0.00 H new ATOM 668 N ASN A 46 -10.991 -4.828 7.618 1.00 0.00 N ATOM 669 CA ASN A 46 -12.355 -4.485 7.266 1.00 0.00 C ATOM 670 C ASN A 46 -12.455 -2.994 6.974 1.00 0.00 C ATOM 671 O ASN A 46 -13.255 -2.291 7.588 1.00 0.00 O ATOM 672 CB ASN A 46 -13.287 -4.875 8.410 1.00 0.00 C ATOM 673 CG ASN A 46 -14.715 -4.435 8.121 1.00 0.00 C ATOM 674 OD1 ASN A 46 -15.035 -4.063 6.994 1.00 0.00 O ATOM 675 ND2 ASN A 46 -15.574 -4.481 9.142 1.00 0.00 N ATOM 0 H ASN A 46 -10.867 -5.116 8.589 1.00 0.00 H new ATOM 0 HA ASN A 46 -12.651 -5.030 6.370 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -13.257 -5.955 8.556 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -12.942 -4.418 9.337 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -16.545 -4.200 9.005 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -15.259 -4.797 10.059 1.00 0.00 H new ATOM 682 N ASN A 47 -11.641 -2.513 6.032 1.00 0.00 N ATOM 683 CA ASN A 47 -11.644 -1.111 5.664 1.00 0.00 C ATOM 684 C ASN A 47 -11.206 -0.955 4.215 1.00 0.00 C ATOM 685 O ASN A 47 -10.331 -1.679 3.746 1.00 0.00 O ATOM 686 CB ASN A 47 -10.713 -0.340 6.596 1.00 0.00 C ATOM 687 CG ASN A 47 -9.470 -1.157 6.920 1.00 0.00 C ATOM 688 OD1 ASN A 47 -9.362 -1.723 8.005 1.00 0.00 O ATOM 689 ND2 ASN A 47 -8.531 -1.218 5.973 1.00 0.00 N ATOM 0 H ASN A 47 -10.972 -3.082 5.513 1.00 0.00 H new ATOM 0 HA ASN A 47 -12.652 -0.708 5.762 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -10.423 0.601 6.129 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -11.239 -0.090 7.517 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -7.677 -1.752 6.135 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -8.667 -0.730 5.088 1.00 0.00 H new ATOM 696 N VAL A 48 -11.818 -0.004 3.506 1.00 0.00 N ATOM 697 CA VAL A 48 -11.490 0.245 2.116 1.00 0.00 C ATOM 698 C VAL A 48 -10.390 1.293 2.026 1.00 0.00 C ATOM 699 O VAL A 48 -10.549 2.406 2.522 1.00 0.00 O ATOM 700 CB VAL A 48 -12.740 0.708 1.374 1.00 0.00 C ATOM 701 CG1 VAL A 48 -12.456 0.752 -0.124 1.00 0.00 C ATOM 702 CG2 VAL A 48 -13.883 -0.267 1.646 1.00 0.00 C ATOM 0 H VAL A 48 -12.546 0.605 3.881 1.00 0.00 H new ATOM 0 HA VAL A 48 -11.129 -0.673 1.653 1.00 0.00 H new ATOM 0 HB VAL A 48 -13.020 1.703 1.720 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -13.349 1.083 -0.654 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -11.640 1.447 -0.319 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -12.176 -0.243 -0.471 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -14.777 0.063 1.116 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -13.603 -1.262 1.300 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -14.087 -0.299 2.716 1.00 0.00 H new ATOM 712 N VAL A 49 -9.272 0.934 1.391 1.00 0.00 N ATOM 713 CA VAL A 49 -8.153 1.842 1.239 1.00 0.00 C ATOM 714 C VAL A 49 -7.618 1.767 -0.184 1.00 0.00 C ATOM 715 O VAL A 49 -7.550 0.687 -0.767 1.00 0.00 O ATOM 716 CB VAL A 49 -7.065 1.481 2.246 1.00 0.00 C ATOM 717 CG1 VAL A 49 -5.787 2.244 1.910 1.00 0.00 C ATOM 718 CG2 VAL A 49 -7.528 1.857 3.651 1.00 0.00 C ATOM 0 H VAL A 49 -9.126 0.014 0.975 1.00 0.00 H new ATOM 0 HA VAL A 49 -8.480 2.864 1.429 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.870 0.409 2.202 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.010 1.986 2.629 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.456 1.976 0.907 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -5.981 3.316 1.954 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.751 1.599 4.371 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.723 2.929 3.695 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.441 1.312 3.891 1.00 0.00 H new ATOM 728 N THR A 50 -7.237 2.918 -0.743 1.00 0.00 N ATOM 729 CA THR A 50 -6.711 2.971 -2.092 1.00 0.00 C ATOM 730 C THR A 50 -5.191 3.041 -2.053 1.00 0.00 C ATOM 731 O THR A 50 -4.622 3.833 -1.305 1.00 0.00 O ATOM 732 CB THR A 50 -7.290 4.183 -2.815 1.00 0.00 C ATOM 733 OG1 THR A 50 -8.567 3.863 -3.321 1.00 0.00 O ATOM 734 CG2 THR A 50 -6.370 4.576 -3.968 1.00 0.00 C ATOM 0 H THR A 50 -7.287 3.823 -0.274 1.00 0.00 H new ATOM 0 HA THR A 50 -6.998 2.070 -2.633 1.00 0.00 H new ATOM 0 HB THR A 50 -7.374 5.016 -2.117 1.00 0.00 H new ATOM 0 HG1 THR A 50 -9.159 3.613 -2.581 1.00 0.00 H new ATOM 0 HG21 THR A 50 -6.784 5.442 -4.485 1.00 0.00 H new ATOM 0 HG22 THR A 50 -5.383 4.824 -3.578 1.00 0.00 H new ATOM 0 HG23 THR A 50 -6.286 3.743 -4.666 1.00 0.00 H new ATOM 742 N LEU A 51 -4.533 2.209 -2.864 1.00 0.00 N ATOM 743 CA LEU A 51 -3.085 2.181 -2.920 1.00 0.00 C ATOM 744 C LEU A 51 -2.608 2.764 -4.242 1.00 0.00 C ATOM 745 O LEU A 51 -3.022 2.314 -5.308 1.00 0.00 O ATOM 746 CB LEU A 51 -2.599 0.743 -2.757 1.00 0.00 C ATOM 747 CG LEU A 51 -2.613 0.367 -1.278 1.00 0.00 C ATOM 748 CD1 LEU A 51 -1.754 -0.876 -1.061 1.00 0.00 C ATOM 749 CD2 LEU A 51 -2.054 1.523 -0.454 1.00 0.00 C ATOM 0 H LEU A 51 -4.990 1.546 -3.490 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.674 2.785 -2.111 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.239 0.065 -3.322 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.591 0.640 -3.160 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.636 0.160 -0.965 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.764 -1.145 -0.005 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.154 -1.702 -1.649 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.730 -0.670 -1.374 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.064 1.255 0.602 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.031 1.731 -0.766 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.668 2.410 -0.609 1.00 0.00 H new ATOM 761 N GLN A 52 -1.733 3.771 -4.171 1.00 0.00 N ATOM 762 CA GLN A 52 -1.206 4.410 -5.359 1.00 0.00 C ATOM 763 C GLN A 52 0.265 4.056 -5.526 1.00 0.00 C ATOM 764 O GLN A 52 1.108 4.522 -4.762 1.00 0.00 O ATOM 765 CB GLN A 52 -1.389 5.921 -5.246 1.00 0.00 C ATOM 766 CG GLN A 52 -2.807 6.295 -5.668 1.00 0.00 C ATOM 767 CD GLN A 52 -2.807 7.563 -6.509 1.00 0.00 C ATOM 768 OE1 GLN A 52 -3.285 8.605 -6.064 1.00 0.00 O ATOM 769 NE2 GLN A 52 -2.268 7.474 -7.727 1.00 0.00 N ATOM 0 H GLN A 52 -1.379 4.156 -3.295 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.746 4.056 -6.237 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -1.206 6.245 -4.221 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -0.663 6.434 -5.877 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.249 5.477 -6.237 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.427 6.440 -4.784 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -1.884 6.586 -8.051 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -2.240 8.294 -8.333 1.00 0.00 H new ATOM 778 N PHE A 53 0.573 3.231 -6.529 1.00 0.00 N ATOM 779 CA PHE A 53 1.939 2.823 -6.790 1.00 0.00 C ATOM 780 C PHE A 53 2.223 2.892 -8.283 1.00 0.00 C ATOM 781 O PHE A 53 1.306 2.802 -9.097 1.00 0.00 O ATOM 782 CB PHE A 53 2.154 1.406 -6.263 1.00 0.00 C ATOM 783 CG PHE A 53 1.295 0.371 -6.950 1.00 0.00 C ATOM 784 CD1 PHE A 53 -0.005 0.126 -6.493 1.00 0.00 C ATOM 785 CD2 PHE A 53 1.801 -0.346 -8.040 1.00 0.00 C ATOM 786 CE1 PHE A 53 -0.801 -0.835 -7.128 1.00 0.00 C ATOM 787 CE2 PHE A 53 1.006 -1.307 -8.676 1.00 0.00 C ATOM 788 CZ PHE A 53 -0.295 -1.552 -8.220 1.00 0.00 C ATOM 0 H PHE A 53 -0.114 2.836 -7.171 1.00 0.00 H new ATOM 0 HA PHE A 53 2.628 3.496 -6.279 1.00 0.00 H new ATOM 0 HB2 PHE A 53 3.203 1.136 -6.387 1.00 0.00 H new ATOM 0 HB3 PHE A 53 1.944 1.389 -5.194 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.394 0.678 -5.650 1.00 0.00 H new ATOM 0 HD2 PHE A 53 2.805 -0.158 -8.391 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.805 -1.023 -6.776 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.396 -1.859 -9.518 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.908 -2.294 -8.710 1.00 0.00 H new ATOM 798 N GLN A 54 3.499 3.053 -8.643 1.00 0.00 N ATOM 799 CA GLN A 54 3.896 3.134 -10.034 1.00 0.00 C ATOM 800 C GLN A 54 4.462 1.796 -10.489 1.00 0.00 C ATOM 801 O GLN A 54 5.535 1.392 -10.048 1.00 0.00 O ATOM 802 CB GLN A 54 4.930 4.244 -10.202 1.00 0.00 C ATOM 803 CG GLN A 54 4.869 4.785 -11.628 1.00 0.00 C ATOM 804 CD GLN A 54 5.630 6.098 -11.743 1.00 0.00 C ATOM 805 OE1 GLN A 54 5.094 7.158 -11.427 1.00 0.00 O ATOM 806 NE2 GLN A 54 6.884 6.025 -12.197 1.00 0.00 N ATOM 0 H GLN A 54 4.271 3.129 -7.981 1.00 0.00 H new ATOM 0 HA GLN A 54 3.028 3.366 -10.651 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.738 5.046 -9.489 1.00 0.00 H new ATOM 0 HB3 GLN A 54 5.928 3.861 -9.989 1.00 0.00 H new ATOM 0 HG2 GLN A 54 5.291 4.054 -12.317 1.00 0.00 H new ATOM 0 HG3 GLN A 54 3.830 4.935 -11.920 1.00 0.00 H new ATOM 0 HE21 GLN A 54 7.284 5.121 -12.446 1.00 0.00 H new ATOM 0 HE22 GLN A 54 7.441 6.874 -12.294 1.00 0.00 H new ATOM 815 N ARG A 55 3.736 1.110 -11.375 1.00 0.00 N ATOM 816 CA ARG A 55 4.167 -0.176 -11.884 1.00 0.00 C ATOM 817 C ARG A 55 5.605 -0.081 -12.374 1.00 0.00 C ATOM 818 O ARG A 55 6.511 -0.640 -11.760 1.00 0.00 O ATOM 819 CB ARG A 55 3.239 -0.612 -13.014 1.00 0.00 C ATOM 820 CG ARG A 55 2.949 -2.105 -12.887 1.00 0.00 C ATOM 821 CD ARG A 55 1.944 -2.521 -13.957 1.00 0.00 C ATOM 822 NE ARG A 55 0.826 -3.260 -13.369 1.00 0.00 N ATOM 823 CZ ARG A 55 0.066 -4.109 -14.074 1.00 0.00 C ATOM 824 NH1 ARG A 55 0.317 -4.311 -15.374 1.00 0.00 N ATOM 825 NH2 ARG A 55 -0.945 -4.756 -13.478 1.00 0.00 N ATOM 0 H ARG A 55 2.844 1.433 -11.751 1.00 0.00 H new ATOM 0 HA ARG A 55 4.123 -0.920 -11.088 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.309 -0.045 -12.974 1.00 0.00 H new ATOM 0 HB3 ARG A 55 3.700 -0.401 -13.979 1.00 0.00 H new ATOM 0 HG2 ARG A 55 3.871 -2.676 -12.997 1.00 0.00 H new ATOM 0 HG3 ARG A 55 2.553 -2.326 -11.896 1.00 0.00 H new ATOM 0 HD2 ARG A 55 1.569 -1.637 -14.472 1.00 0.00 H new ATOM 0 HD3 ARG A 55 2.440 -3.139 -14.705 1.00 0.00 H new ATOM 0 HE ARG A 55 0.616 -3.123 -12.380 1.00 0.00 H new ATOM 0 HH11 ARG A 55 1.087 -3.819 -15.827 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -0.262 -4.957 -15.911 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -1.136 -4.602 -12.488 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -1.524 -5.402 -14.014 1.00 0.00 H new ATOM 839 N ASN A 56 5.814 0.630 -13.485 1.00 0.00 N ATOM 840 CA ASN A 56 7.139 0.794 -14.048 1.00 0.00 C ATOM 841 C ASN A 56 7.725 2.130 -13.615 1.00 0.00 C ATOM 842 O ASN A 56 7.005 3.120 -13.501 1.00 0.00 O ATOM 843 CB ASN A 56 7.057 0.708 -15.569 1.00 0.00 C ATOM 844 CG ASN A 56 6.739 -0.712 -16.017 1.00 0.00 C ATOM 845 OD1 ASN A 56 5.949 -1.403 -15.377 1.00 0.00 O ATOM 846 ND2 ASN A 56 7.354 -1.145 -17.119 1.00 0.00 N ATOM 0 H ASN A 56 5.074 1.099 -14.007 1.00 0.00 H new ATOM 0 HA ASN A 56 7.792 0.000 -13.685 1.00 0.00 H new ATOM 0 HB2 ASN A 56 6.289 1.390 -15.935 1.00 0.00 H new ATOM 0 HB3 ASN A 56 8.002 1.029 -16.007 1.00 0.00 H new ATOM 0 HD21 ASN A 56 7.176 -2.088 -17.465 1.00 0.00 H new ATOM 0 HD22 ASN A 56 8.002 -0.533 -17.615 1.00 0.00 H new ATOM 853 N LEU A 57 9.038 2.157 -13.374 1.00 0.00 N ATOM 854 CA LEU A 57 9.715 3.369 -12.956 1.00 0.00 C ATOM 855 C LEU A 57 10.081 4.203 -14.176 1.00 0.00 C ATOM 856 O LEU A 57 9.773 5.391 -14.233 1.00 0.00 O ATOM 857 CB LEU A 57 10.962 3.004 -12.156 1.00 0.00 C ATOM 858 CG LEU A 57 11.872 4.225 -12.049 1.00 0.00 C ATOM 859 CD1 LEU A 57 11.193 5.292 -11.195 1.00 0.00 C ATOM 860 CD2 LEU A 57 13.193 3.819 -11.402 1.00 0.00 C ATOM 0 H LEU A 57 9.649 1.345 -13.464 1.00 0.00 H new ATOM 0 HA LEU A 57 9.053 3.960 -12.323 1.00 0.00 H new ATOM 0 HB2 LEU A 57 10.681 2.658 -11.161 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.491 2.184 -12.641 1.00 0.00 H new ATOM 0 HG LEU A 57 12.063 4.625 -13.045 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.842 6.164 -11.118 1.00 0.00 H new ATOM 0 HD12 LEU A 57 10.249 5.582 -11.657 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.002 4.893 -10.199 1.00 0.00 H new ATOM 0 HD21 LEU A 57 13.843 4.690 -11.325 1.00 0.00 H new ATOM 0 HD22 LEU A 57 13.003 3.419 -10.406 1.00 0.00 H new ATOM 0 HD23 LEU A 57 13.678 3.057 -12.012 1.00 0.00 H new ATOM 872 N SER A 58 10.741 3.577 -15.152 1.00 0.00 N ATOM 873 CA SER A 58 11.144 4.263 -16.363 1.00 0.00 C ATOM 874 C SER A 58 9.956 5.007 -16.955 1.00 0.00 C ATOM 875 O SER A 58 10.076 6.168 -17.339 1.00 0.00 O ATOM 876 CB SER A 58 11.698 3.249 -17.361 1.00 0.00 C ATOM 877 OG SER A 58 12.618 3.888 -18.217 1.00 0.00 O ATOM 0 H SER A 58 11.005 2.592 -15.119 1.00 0.00 H new ATOM 0 HA SER A 58 11.923 4.989 -16.131 1.00 0.00 H new ATOM 0 HB2 SER A 58 12.185 2.430 -16.832 1.00 0.00 H new ATOM 0 HB3 SER A 58 10.885 2.814 -17.943 1.00 0.00 H new ATOM 0 HG SER A 58 12.976 3.238 -18.857 1.00 0.00 H new ATOM 883 N ASP A 59 8.804 4.335 -17.027 1.00 0.00 N ATOM 884 CA ASP A 59 7.602 4.935 -17.570 1.00 0.00 C ATOM 885 C ASP A 59 6.657 5.310 -16.438 1.00 0.00 C ATOM 886 O ASP A 59 6.569 4.600 -15.439 1.00 0.00 O ATOM 887 CB ASP A 59 6.934 3.954 -18.530 1.00 0.00 C ATOM 888 CG ASP A 59 5.748 4.601 -19.231 1.00 0.00 C ATOM 889 OD1 ASP A 59 4.656 4.594 -18.622 1.00 0.00 O ATOM 890 OD2 ASP A 59 5.956 5.091 -20.362 1.00 0.00 O ATOM 0 H ASP A 59 8.687 3.372 -16.712 1.00 0.00 H new ATOM 0 HA ASP A 59 7.858 5.842 -18.118 1.00 0.00 H new ATOM 0 HB2 ASP A 59 7.658 3.614 -19.271 1.00 0.00 H new ATOM 0 HB3 ASP A 59 6.601 3.073 -17.982 1.00 0.00 H new ATOM 895 N PRO A 60 5.949 6.431 -16.595 1.00 0.00 N ATOM 896 CA PRO A 60 5.003 6.942 -15.626 1.00 0.00 C ATOM 897 C PRO A 60 3.756 6.070 -15.623 1.00 0.00 C ATOM 898 O PRO A 60 2.638 6.582 -15.639 1.00 0.00 O ATOM 899 CB PRO A 60 4.681 8.357 -16.101 1.00 0.00 C ATOM 900 CG PRO A 60 4.849 8.252 -17.616 1.00 0.00 C ATOM 901 CD PRO A 60 6.028 7.291 -17.757 1.00 0.00 C ATOM 0 HA PRO A 60 5.395 6.941 -14.609 1.00 0.00 H new ATOM 0 HB2 PRO A 60 3.669 8.656 -15.826 1.00 0.00 H new ATOM 0 HB3 PRO A 60 5.359 9.093 -15.669 1.00 0.00 H new ATOM 0 HG2 PRO A 60 3.951 7.865 -18.097 1.00 0.00 H new ATOM 0 HG3 PRO A 60 5.060 9.221 -18.068 1.00 0.00 H new ATOM 0 HD2 PRO A 60 5.960 6.715 -18.680 1.00 0.00 H new ATOM 0 HD3 PRO A 60 6.975 7.829 -17.786 1.00 0.00 H new ATOM 909 N ARG A 61 3.948 4.749 -15.603 1.00 0.00 N ATOM 910 CA ARG A 61 2.841 3.814 -15.601 1.00 0.00 C ATOM 911 C ARG A 61 2.193 3.786 -14.224 1.00 0.00 C ATOM 912 O ARG A 61 2.526 2.940 -13.397 1.00 0.00 O ATOM 913 CB ARG A 61 3.346 2.428 -15.989 1.00 0.00 C ATOM 914 CG ARG A 61 2.662 1.979 -17.277 1.00 0.00 C ATOM 915 CD ARG A 61 2.342 0.490 -17.192 1.00 0.00 C ATOM 916 NE ARG A 61 1.733 0.011 -18.432 1.00 0.00 N ATOM 917 CZ ARG A 61 1.598 -1.291 -18.720 1.00 0.00 C ATOM 918 NH1 ARG A 61 2.029 -2.217 -17.853 1.00 0.00 N ATOM 919 NH2 ARG A 61 1.031 -1.667 -19.874 1.00 0.00 N ATOM 0 H ARG A 61 4.868 4.309 -15.588 1.00 0.00 H new ATOM 0 HA ARG A 61 2.092 4.129 -16.327 1.00 0.00 H new ATOM 0 HB2 ARG A 61 4.427 2.449 -16.127 1.00 0.00 H new ATOM 0 HB3 ARG A 61 3.140 1.717 -15.189 1.00 0.00 H new ATOM 0 HG2 ARG A 61 1.747 2.550 -17.433 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.309 2.174 -18.132 1.00 0.00 H new ATOM 0 HD2 ARG A 61 3.255 -0.071 -16.991 1.00 0.00 H new ATOM 0 HD3 ARG A 61 1.666 0.307 -16.357 1.00 0.00 H new ATOM 0 HE ARG A 61 1.396 0.697 -19.107 1.00 0.00 H new ATOM 0 HH11 ARG A 61 2.460 -1.931 -16.974 1.00 0.00 H new ATOM 0 HH12 ARG A 61 1.926 -3.208 -18.072 1.00 0.00 H new ATOM 0 HH21 ARG A 61 0.702 -0.962 -20.534 1.00 0.00 H new ATOM 0 HH22 ARG A 61 0.928 -2.658 -20.093 1.00 0.00 H new ATOM 933 N LEU A 62 1.265 4.714 -13.980 1.00 0.00 N ATOM 934 CA LEU A 62 0.576 4.791 -12.707 1.00 0.00 C ATOM 935 C LEU A 62 -0.491 3.708 -12.631 1.00 0.00 C ATOM 936 O LEU A 62 -1.203 3.466 -13.604 1.00 0.00 O ATOM 937 CB LEU A 62 -0.047 6.175 -12.549 1.00 0.00 C ATOM 938 CG LEU A 62 0.564 6.871 -11.336 1.00 0.00 C ATOM 939 CD1 LEU A 62 -0.155 6.412 -10.070 1.00 0.00 C ATOM 940 CD2 LEU A 62 2.045 6.516 -11.237 1.00 0.00 C ATOM 0 H LEU A 62 0.978 5.422 -14.656 1.00 0.00 H new ATOM 0 HA LEU A 62 1.286 4.632 -11.895 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.125 6.768 -13.447 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.127 6.088 -12.427 1.00 0.00 H new ATOM 0 HG LEU A 62 0.456 7.950 -11.444 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.281 6.909 -9.203 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.213 6.666 -10.140 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.048 5.333 -9.962 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.481 7.013 -10.371 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.154 5.437 -11.129 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.559 6.844 -12.140 1.00 0.00 H new ATOM 952 N GLU A 63 -0.601 3.055 -11.472 1.00 0.00 N ATOM 953 CA GLU A 63 -1.581 2.005 -11.279 1.00 0.00 C ATOM 954 C GLU A 63 -2.273 2.182 -9.935 1.00 0.00 C ATOM 955 O GLU A 63 -1.623 2.461 -8.930 1.00 0.00 O ATOM 956 CB GLU A 63 -0.890 0.646 -11.356 1.00 0.00 C ATOM 957 CG GLU A 63 -0.228 0.490 -12.722 1.00 0.00 C ATOM 958 CD GLU A 63 -1.259 0.572 -13.838 1.00 0.00 C ATOM 959 OE1 GLU A 63 -2.454 0.387 -13.522 1.00 0.00 O ATOM 960 OE2 GLU A 63 -0.833 0.817 -14.988 1.00 0.00 O ATOM 0 H GLU A 63 -0.018 3.242 -10.656 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.337 2.060 -12.063 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.144 0.560 -10.566 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.615 -0.152 -11.198 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.523 1.268 -12.858 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.292 -0.467 -12.771 1.00 0.00 H new ATOM 967 N THR A 64 -3.598 2.017 -9.917 1.00 0.00 N ATOM 968 CA THR A 64 -4.367 2.158 -8.697 1.00 0.00 C ATOM 969 C THR A 64 -5.062 0.845 -8.368 1.00 0.00 C ATOM 970 O THR A 64 -5.540 0.151 -9.262 1.00 0.00 O ATOM 971 CB THR A 64 -5.386 3.281 -8.867 1.00 0.00 C ATOM 972 OG1 THR A 64 -5.927 3.233 -10.168 1.00 0.00 O ATOM 973 CG2 THR A 64 -4.700 4.627 -8.651 1.00 0.00 C ATOM 0 H THR A 64 -4.154 1.785 -10.740 1.00 0.00 H new ATOM 0 HA THR A 64 -3.702 2.409 -7.871 1.00 0.00 H new ATOM 0 HB THR A 64 -6.186 3.159 -8.137 1.00 0.00 H new ATOM 0 HG1 THR A 64 -6.583 3.953 -10.276 1.00 0.00 H new ATOM 0 HG21 THR A 64 -5.427 5.430 -8.772 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.282 4.665 -7.645 1.00 0.00 H new ATOM 0 HG23 THR A 64 -3.900 4.749 -9.381 1.00 0.00 H new ATOM 981 N ILE A 65 -5.116 0.505 -7.078 1.00 0.00 N ATOM 982 CA ILE A 65 -5.752 -0.719 -6.633 1.00 0.00 C ATOM 983 C ILE A 65 -6.576 -0.447 -5.383 1.00 0.00 C ATOM 984 O ILE A 65 -6.086 0.164 -4.435 1.00 0.00 O ATOM 985 CB ILE A 65 -4.685 -1.775 -6.360 1.00 0.00 C ATOM 986 CG1 ILE A 65 -5.331 -3.158 -6.339 1.00 0.00 C ATOM 987 CG2 ILE A 65 -4.030 -1.499 -5.009 1.00 0.00 C ATOM 988 CD1 ILE A 65 -4.272 -4.209 -6.019 1.00 0.00 C ATOM 0 H ILE A 65 -4.722 1.070 -6.326 1.00 0.00 H new ATOM 0 HA ILE A 65 -6.420 -1.090 -7.410 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.929 -1.739 -7.145 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.126 -3.189 -5.594 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -5.790 -3.371 -7.304 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -3.268 -2.253 -4.813 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.568 -0.512 -5.023 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.786 -1.535 -4.224 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -4.733 -5.197 -6.004 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.493 -4.184 -6.781 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.833 -3.998 -5.044 1.00 0.00 H new ATOM 1000 N THR A 66 -7.831 -0.901 -5.380 1.00 0.00 N ATOM 1001 CA THR A 66 -8.710 -0.703 -4.246 1.00 0.00 C ATOM 1002 C THR A 66 -8.815 -1.990 -3.440 1.00 0.00 C ATOM 1003 O THR A 66 -9.199 -3.029 -3.972 1.00 0.00 O ATOM 1004 CB THR A 66 -10.084 -0.261 -4.740 1.00 0.00 C ATOM 1005 OG1 THR A 66 -9.985 1.021 -5.320 1.00 0.00 O ATOM 1006 CG2 THR A 66 -11.057 -0.213 -3.565 1.00 0.00 C ATOM 0 H THR A 66 -8.254 -1.409 -6.157 1.00 0.00 H new ATOM 0 HA THR A 66 -8.303 0.074 -3.599 1.00 0.00 H new ATOM 0 HB THR A 66 -10.447 -0.970 -5.484 1.00 0.00 H new ATOM 0 HG1 THR A 66 -10.867 1.305 -5.639 1.00 0.00 H new ATOM 0 HG21 THR A 66 -12.039 0.103 -3.918 1.00 0.00 H new ATOM 0 HG22 THR A 66 -11.134 -1.203 -3.116 1.00 0.00 H new ATOM 0 HG23 THR A 66 -10.694 0.496 -2.821 1.00 0.00 H new ATOM 1014 N LEU A 67 -8.474 -1.918 -2.152 1.00 0.00 N ATOM 1015 CA LEU A 67 -8.531 -3.074 -1.279 1.00 0.00 C ATOM 1016 C LEU A 67 -9.844 -3.074 -0.508 1.00 0.00 C ATOM 1017 O LEU A 67 -10.172 -2.099 0.164 1.00 0.00 O ATOM 1018 CB LEU A 67 -7.343 -3.048 -0.322 1.00 0.00 C ATOM 1019 CG LEU A 67 -6.085 -2.642 -1.085 1.00 0.00 C ATOM 1020 CD1 LEU A 67 -4.998 -2.236 -0.094 1.00 0.00 C ATOM 1021 CD2 LEU A 67 -5.596 -3.820 -1.923 1.00 0.00 C ATOM 0 H LEU A 67 -8.155 -1.063 -1.696 1.00 0.00 H new ATOM 0 HA LEU A 67 -8.481 -3.986 -1.874 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.532 -2.346 0.490 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.206 -4.030 0.131 1.00 0.00 H new ATOM 0 HG LEU A 67 -6.312 -1.800 -1.739 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.099 -1.946 -0.638 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.347 -1.395 0.505 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.770 -3.077 0.561 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.698 -3.531 -2.468 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -5.368 -4.662 -1.269 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.372 -4.110 -2.631 1.00 0.00 H new ATOM 1033 N GLN A 68 -10.595 -4.173 -0.607 1.00 0.00 N ATOM 1034 CA GLN A 68 -11.866 -4.294 0.079 1.00 0.00 C ATOM 1035 C GLN A 68 -11.639 -4.770 1.507 1.00 0.00 C ATOM 1036 O GLN A 68 -10.500 -4.972 1.923 1.00 0.00 O ATOM 1037 CB GLN A 68 -12.761 -5.269 -0.680 1.00 0.00 C ATOM 1038 CG GLN A 68 -12.922 -4.796 -2.122 1.00 0.00 C ATOM 1039 CD GLN A 68 -13.945 -3.673 -2.213 1.00 0.00 C ATOM 1040 OE1 GLN A 68 -13.518 -2.448 -1.897 1.00 0.00 O flip ATOM 1041 NE2 GLN A 68 -15.099 -3.909 -2.565 1.00 0.00 N flip ATOM 0 H GLN A 68 -10.336 -4.990 -1.160 1.00 0.00 H new ATOM 0 HA GLN A 68 -12.358 -3.322 0.116 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -12.327 -6.268 -0.660 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -13.736 -5.336 -0.197 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -11.962 -4.451 -2.505 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -13.235 -5.630 -2.750 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -15.377 -4.863 -2.796 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -15.779 -3.151 -2.626 1.00 0.00 H new ATOM 1050 N LYS A 69 -12.727 -4.950 2.259 1.00 0.00 N ATOM 1051 CA LYS A 69 -12.640 -5.401 3.633 1.00 0.00 C ATOM 1052 C LYS A 69 -11.888 -6.723 3.698 1.00 0.00 C ATOM 1053 O LYS A 69 -12.218 -7.663 2.979 1.00 0.00 O ATOM 1054 CB LYS A 69 -14.045 -5.550 4.209 1.00 0.00 C ATOM 1055 CG LYS A 69 -14.877 -4.324 3.844 1.00 0.00 C ATOM 1056 CD LYS A 69 -16.086 -4.756 3.019 1.00 0.00 C ATOM 1057 CE LYS A 69 -16.626 -3.558 2.242 1.00 0.00 C ATOM 1058 NZ LYS A 69 -17.977 -3.830 1.727 1.00 0.00 N ATOM 0 H LYS A 69 -13.679 -4.787 1.930 1.00 0.00 H new ATOM 0 HA LYS A 69 -12.094 -4.667 4.225 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -14.516 -6.452 3.818 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -13.996 -5.660 5.292 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -15.205 -3.812 4.748 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -14.272 -3.616 3.278 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -15.804 -5.553 2.330 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -16.860 -5.159 3.672 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -16.649 -2.681 2.889 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -15.957 -3.326 1.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -18.322 -3.001 1.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -17.947 -4.653 1.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -18.618 -4.028 2.522 1.00 0.00 H new ATOM 1072 N TRP A 70 -10.873 -6.793 4.562 1.00 0.00 N ATOM 1073 CA TRP A 70 -10.085 -7.999 4.714 1.00 0.00 C ATOM 1074 C TRP A 70 -9.457 -8.380 3.380 1.00 0.00 C ATOM 1075 O TRP A 70 -9.235 -9.557 3.109 1.00 0.00 O ATOM 1076 CB TRP A 70 -10.974 -9.125 5.234 1.00 0.00 C ATOM 1077 CG TRP A 70 -11.777 -8.783 6.448 1.00 0.00 C ATOM 1078 CD1 TRP A 70 -13.124 -8.686 6.490 1.00 0.00 C ATOM 1079 CD2 TRP A 70 -11.313 -8.488 7.801 1.00 0.00 C ATOM 1080 NE1 TRP A 70 -13.523 -8.354 7.768 1.00 0.00 N ATOM 1081 CE2 TRP A 70 -12.444 -8.219 8.618 1.00 0.00 C ATOM 1082 CE3 TRP A 70 -10.053 -8.420 8.420 1.00 0.00 C ATOM 1083 CZ2 TRP A 70 -12.332 -7.901 9.974 1.00 0.00 C ATOM 1084 CZ3 TRP A 70 -9.929 -8.102 9.781 1.00 0.00 C ATOM 1085 CH2 TRP A 70 -11.064 -7.842 10.559 1.00 0.00 C ATOM 0 H TRP A 70 -10.584 -6.022 5.164 1.00 0.00 H new ATOM 0 HA TRP A 70 -9.284 -7.824 5.432 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -11.655 -9.427 4.439 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -10.347 -9.987 5.462 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -13.786 -8.844 5.652 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -14.495 -8.224 8.050 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -9.165 -8.616 7.838 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -13.215 -7.703 10.563 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -8.949 -8.057 10.233 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -10.960 -7.597 11.606 1.00 0.00 H new ATOM 1096 N GLY A 71 -9.171 -7.378 2.546 1.00 0.00 N ATOM 1097 CA GLY A 71 -8.573 -7.616 1.248 1.00 0.00 C ATOM 1098 C GLY A 71 -7.057 -7.681 1.370 1.00 0.00 C ATOM 1099 O GLY A 71 -6.479 -7.089 2.279 1.00 0.00 O ATOM 0 H GLY A 71 -9.348 -6.395 2.755 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.952 -8.549 0.831 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.856 -6.821 0.558 1.00 0.00 H new ATOM 1103 N SER A 72 -6.413 -8.403 0.450 1.00 0.00 N ATOM 1104 CA SER A 72 -4.970 -8.540 0.460 1.00 0.00 C ATOM 1105 C SER A 72 -4.431 -8.428 -0.960 1.00 0.00 C ATOM 1106 O SER A 72 -5.170 -8.618 -1.923 1.00 0.00 O ATOM 1107 CB SER A 72 -4.592 -9.884 1.077 1.00 0.00 C ATOM 1108 OG SER A 72 -5.738 -10.480 1.642 1.00 0.00 O ATOM 0 H SER A 72 -6.877 -8.900 -0.310 1.00 0.00 H new ATOM 0 HA SER A 72 -4.529 -7.743 1.059 1.00 0.00 H new ATOM 0 HB2 SER A 72 -4.166 -10.538 0.317 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.828 -9.743 1.841 1.00 0.00 H new ATOM 0 HG SER A 72 -5.730 -11.443 1.458 1.00 0.00 H new ATOM 1114 N TRP A 73 -3.139 -8.118 -1.087 1.00 0.00 N ATOM 1115 CA TRP A 73 -2.513 -7.986 -2.387 1.00 0.00 C ATOM 1116 C TRP A 73 -1.255 -8.841 -2.446 1.00 0.00 C ATOM 1117 O TRP A 73 -0.496 -8.901 -1.482 1.00 0.00 O ATOM 1118 CB TRP A 73 -2.181 -6.519 -2.643 1.00 0.00 C ATOM 1119 CG TRP A 73 -1.830 -6.190 -4.059 1.00 0.00 C ATOM 1120 CD1 TRP A 73 -2.237 -6.884 -5.145 1.00 0.00 C ATOM 1121 CD2 TRP A 73 -1.007 -5.098 -4.570 1.00 0.00 C ATOM 1122 NE1 TRP A 73 -1.726 -6.300 -6.284 1.00 0.00 N ATOM 1123 CE2 TRP A 73 -0.958 -5.193 -5.987 1.00 0.00 C ATOM 1124 CE3 TRP A 73 -0.296 -4.037 -3.981 1.00 0.00 C ATOM 1125 CZ2 TRP A 73 -0.244 -4.287 -6.777 1.00 0.00 C ATOM 1126 CZ3 TRP A 73 0.423 -3.122 -4.764 1.00 0.00 C ATOM 1127 CH2 TRP A 73 0.451 -3.244 -6.158 1.00 0.00 C ATOM 0 H TRP A 73 -2.512 -7.955 -0.299 1.00 0.00 H new ATOM 0 HA TRP A 73 -3.199 -8.332 -3.161 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -3.035 -5.911 -2.345 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -1.347 -6.233 -2.002 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -2.866 -7.762 -5.124 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -1.895 -6.644 -7.229 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -0.304 -3.925 -2.907 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -0.230 -4.392 -7.852 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 0.960 -2.316 -4.287 1.00 0.00 H new ATOM 0 HH2 TRP A 73 1.007 -2.535 -6.753 1.00 0.00 H new ATOM 1138 N ASN A 74 -1.037 -9.506 -3.583 1.00 0.00 N ATOM 1139 CA ASN A 74 0.126 -10.352 -3.761 1.00 0.00 C ATOM 1140 C ASN A 74 0.536 -10.370 -5.227 1.00 0.00 C ATOM 1141 O ASN A 74 0.347 -11.371 -5.915 1.00 0.00 O ATOM 1142 CB ASN A 74 -0.194 -11.762 -3.273 1.00 0.00 C ATOM 1143 CG ASN A 74 -1.391 -12.336 -4.017 1.00 0.00 C ATOM 1144 OD1 ASN A 74 -1.999 -11.654 -4.839 1.00 0.00 O ATOM 1145 ND2 ASN A 74 -1.728 -13.595 -3.728 1.00 0.00 N ATOM 0 H ASN A 74 -1.658 -9.469 -4.391 1.00 0.00 H new ATOM 0 HA ASN A 74 0.958 -9.958 -3.178 1.00 0.00 H new ATOM 0 HB2 ASN A 74 0.673 -12.407 -3.418 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -0.401 -11.743 -2.203 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -2.522 -14.031 -4.198 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -1.192 -14.121 -3.038 1.00 0.00 H new ATOM 1152 N PRO A 75 1.098 -9.257 -5.704 1.00 0.00 N ATOM 1153 CA PRO A 75 1.552 -9.092 -7.068 1.00 0.00 C ATOM 1154 C PRO A 75 2.816 -9.911 -7.288 1.00 0.00 C ATOM 1155 O PRO A 75 2.747 -11.059 -7.722 1.00 0.00 O ATOM 1156 CB PRO A 75 1.836 -7.598 -7.208 1.00 0.00 C ATOM 1157 CG PRO A 75 2.244 -7.197 -5.792 1.00 0.00 C ATOM 1158 CD PRO A 75 1.335 -8.062 -4.923 1.00 0.00 C ATOM 0 HA PRO A 75 0.821 -9.431 -7.802 1.00 0.00 H new ATOM 0 HB2 PRO A 75 2.630 -7.403 -7.928 1.00 0.00 H new ATOM 0 HB3 PRO A 75 0.957 -7.049 -7.546 1.00 0.00 H new ATOM 0 HG2 PRO A 75 3.298 -7.399 -5.602 1.00 0.00 H new ATOM 0 HG3 PRO A 75 2.086 -6.134 -5.611 1.00 0.00 H new ATOM 0 HD2 PRO A 75 1.809 -8.300 -3.971 1.00 0.00 H new ATOM 0 HD3 PRO A 75 0.401 -7.548 -4.695 1.00 0.00 H new ATOM 1166 N GLY A 76 3.974 -9.317 -6.989 1.00 0.00 N ATOM 1167 CA GLY A 76 5.243 -9.997 -7.159 1.00 0.00 C ATOM 1168 C GLY A 76 6.387 -8.992 -7.134 1.00 0.00 C ATOM 1169 O GLY A 76 7.087 -8.820 -8.129 1.00 0.00 O ATOM 0 H GLY A 76 4.050 -8.366 -6.628 1.00 0.00 H new ATOM 0 HA2 GLY A 76 5.378 -10.733 -6.366 1.00 0.00 H new ATOM 0 HA3 GLY A 76 5.248 -10.541 -8.103 1.00 0.00 H new ATOM 1173 N HIS A 77 6.574 -8.327 -5.991 1.00 0.00 N ATOM 1174 CA HIS A 77 7.628 -7.344 -5.841 1.00 0.00 C ATOM 1175 C HIS A 77 7.355 -6.153 -6.749 1.00 0.00 C ATOM 1176 O HIS A 77 7.654 -6.196 -7.940 1.00 0.00 O ATOM 1177 CB HIS A 77 8.971 -7.984 -6.180 1.00 0.00 C ATOM 1178 CG HIS A 77 10.124 -7.030 -6.028 1.00 0.00 C ATOM 1179 ND1 HIS A 77 10.192 -5.753 -6.551 1.00 0.00 N ATOM 1180 CD2 HIS A 77 11.284 -7.277 -5.349 1.00 0.00 C ATOM 1181 CE1 HIS A 77 11.380 -5.231 -6.193 1.00 0.00 C ATOM 1182 NE2 HIS A 77 12.058 -6.139 -5.464 1.00 0.00 N ATOM 0 H HIS A 77 6.001 -8.459 -5.157 1.00 0.00 H new ATOM 0 HA HIS A 77 7.658 -6.991 -4.810 1.00 0.00 H new ATOM 0 HB2 HIS A 77 9.131 -8.847 -5.533 1.00 0.00 H new ATOM 0 HB3 HIS A 77 8.944 -8.354 -7.205 1.00 0.00 H new ATOM 0 HD2 HIS A 77 11.545 -8.185 -4.825 1.00 0.00 H new ATOM 0 HE1 HIS A 77 11.733 -4.243 -6.449 1.00 0.00 H new ATOM 0 HE2 HIS A 77 12.987 -6.008 -5.064 1.00 0.00 H new ATOM 1191 N ILE A 78 6.785 -5.086 -6.182 1.00 0.00 N ATOM 1192 CA ILE A 78 6.476 -3.890 -6.939 1.00 0.00 C ATOM 1193 C ILE A 78 7.644 -2.916 -6.862 1.00 0.00 C ATOM 1194 O ILE A 78 8.361 -2.882 -5.864 1.00 0.00 O ATOM 1195 CB ILE A 78 5.203 -3.254 -6.387 1.00 0.00 C ATOM 1196 CG1 ILE A 78 4.075 -4.281 -6.397 1.00 0.00 C ATOM 1197 CG2 ILE A 78 4.814 -2.061 -7.255 1.00 0.00 C ATOM 1198 CD1 ILE A 78 3.302 -4.174 -7.709 1.00 0.00 C ATOM 0 H ILE A 78 6.531 -5.035 -5.196 1.00 0.00 H new ATOM 0 HA ILE A 78 6.312 -4.148 -7.985 1.00 0.00 H new ATOM 0 HB ILE A 78 5.378 -2.918 -5.365 1.00 0.00 H new ATOM 0 HG12 ILE A 78 4.482 -5.286 -6.283 1.00 0.00 H new ATOM 0 HG13 ILE A 78 3.406 -4.111 -5.553 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.905 -1.606 -6.862 1.00 0.00 H new ATOM 0 HG22 ILE A 78 5.620 -1.327 -7.247 1.00 0.00 H new ATOM 0 HG23 ILE A 78 4.639 -2.396 -8.277 1.00 0.00 H new ATOM 0 HD11 ILE A 78 2.496 -4.907 -7.717 1.00 0.00 H new ATOM 0 HD12 ILE A 78 2.882 -3.172 -7.803 1.00 0.00 H new ATOM 0 HD13 ILE A 78 3.975 -4.366 -8.545 1.00 0.00 H new ATOM 1210 N HIS A 79 7.834 -2.123 -7.919 1.00 0.00 N ATOM 1211 CA HIS A 79 8.911 -1.155 -7.966 1.00 0.00 C ATOM 1212 C HIS A 79 8.956 -0.369 -6.664 1.00 0.00 C ATOM 1213 O HIS A 79 9.790 -0.639 -5.802 1.00 0.00 O ATOM 1214 CB HIS A 79 8.703 -0.221 -9.155 1.00 0.00 C ATOM 1215 CG HIS A 79 9.531 1.030 -9.062 1.00 0.00 C ATOM 1216 ND1 HIS A 79 10.877 1.090 -8.752 1.00 0.00 N ATOM 1217 CD2 HIS A 79 9.083 2.305 -9.269 1.00 0.00 C ATOM 1218 CE1 HIS A 79 11.240 2.385 -8.771 1.00 0.00 C ATOM 1219 NE2 HIS A 79 10.168 3.139 -9.082 1.00 0.00 N ATOM 0 H HIS A 79 7.248 -2.139 -8.754 1.00 0.00 H new ATOM 0 HA HIS A 79 9.863 -1.671 -8.088 1.00 0.00 H new ATOM 0 HB2 HIS A 79 8.953 -0.750 -10.075 1.00 0.00 H new ATOM 0 HB3 HIS A 79 7.649 0.050 -9.219 1.00 0.00 H new ATOM 0 HD1 HIS A 79 11.484 0.297 -8.546 1.00 0.00 H new ATOM 0 HD2 HIS A 79 8.077 2.602 -9.528 1.00 0.00 H new ATOM 0 HE1 HIS A 79 12.232 2.760 -8.569 1.00 0.00 H new ATOM 1228 N GLU A 80 8.056 0.607 -6.521 1.00 0.00 N ATOM 1229 CA GLU A 80 7.999 1.422 -5.325 1.00 0.00 C ATOM 1230 C GLU A 80 6.635 2.087 -5.213 1.00 0.00 C ATOM 1231 O GLU A 80 6.004 2.390 -6.223 1.00 0.00 O ATOM 1232 CB GLU A 80 9.108 2.469 -5.372 1.00 0.00 C ATOM 1233 CG GLU A 80 9.114 3.264 -4.069 1.00 0.00 C ATOM 1234 CD GLU A 80 9.283 4.752 -4.341 1.00 0.00 C ATOM 1235 OE1 GLU A 80 9.028 5.150 -5.498 1.00 0.00 O ATOM 1236 OE2 GLU A 80 9.666 5.463 -3.387 1.00 0.00 O ATOM 0 H GLU A 80 7.359 0.845 -7.226 1.00 0.00 H new ATOM 0 HA GLU A 80 8.145 0.793 -4.447 1.00 0.00 H new ATOM 0 HB2 GLU A 80 10.073 1.985 -5.519 1.00 0.00 H new ATOM 0 HB3 GLU A 80 8.955 3.139 -6.218 1.00 0.00 H new ATOM 0 HG2 GLU A 80 8.183 3.092 -3.529 1.00 0.00 H new ATOM 0 HG3 GLU A 80 9.923 2.913 -3.428 1.00 0.00 H new ATOM 1243 N ILE A 81 6.179 2.313 -3.978 1.00 0.00 N ATOM 1244 CA ILE A 81 4.896 2.941 -3.738 1.00 0.00 C ATOM 1245 C ILE A 81 5.026 4.451 -3.883 1.00 0.00 C ATOM 1246 O ILE A 81 6.002 5.039 -3.422 1.00 0.00 O ATOM 1247 CB ILE A 81 4.403 2.572 -2.341 1.00 0.00 C ATOM 1248 CG1 ILE A 81 4.070 1.083 -2.296 1.00 0.00 C ATOM 1249 CG2 ILE A 81 3.153 3.383 -2.012 1.00 0.00 C ATOM 1250 CD1 ILE A 81 2.853 0.807 -3.175 1.00 0.00 C ATOM 0 H ILE A 81 6.690 2.065 -3.130 1.00 0.00 H new ATOM 0 HA ILE A 81 4.170 2.587 -4.470 1.00 0.00 H new ATOM 0 HB ILE A 81 5.182 2.792 -1.611 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.922 0.498 -2.642 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.868 0.775 -1.270 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.801 3.120 -1.015 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.390 4.446 -2.044 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.374 3.163 -2.742 1.00 0.00 H new ATOM 0 HD11 ILE A 81 2.615 -0.256 -3.143 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.002 1.381 -2.808 1.00 0.00 H new ATOM 0 HD13 ILE A 81 3.072 1.099 -4.202 1.00 0.00 H new ATOM 1262 N LEU A 82 4.038 5.079 -4.525 1.00 0.00 N ATOM 1263 CA LEU A 82 4.048 6.514 -4.727 1.00 0.00 C ATOM 1264 C LEU A 82 3.379 7.206 -3.548 1.00 0.00 C ATOM 1265 O LEU A 82 4.016 7.977 -2.835 1.00 0.00 O ATOM 1266 CB LEU A 82 3.327 6.848 -6.030 1.00 0.00 C ATOM 1267 CG LEU A 82 3.911 6.012 -7.164 1.00 0.00 C ATOM 1268 CD1 LEU A 82 3.479 6.598 -8.505 1.00 0.00 C ATOM 1269 CD2 LEU A 82 5.435 6.023 -7.071 1.00 0.00 C ATOM 0 H LEU A 82 3.221 4.606 -4.912 1.00 0.00 H new ATOM 0 HA LEU A 82 5.077 6.868 -4.794 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.260 6.648 -5.929 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.433 7.909 -6.255 1.00 0.00 H new ATOM 0 HG LEU A 82 3.549 4.987 -7.083 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.897 6.000 -9.315 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.391 6.590 -8.572 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.840 7.623 -8.587 1.00 0.00 H new ATOM 0 HD21 LEU A 82 5.853 5.426 -7.881 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.797 7.048 -7.152 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.744 5.603 -6.114 1.00 0.00 H new ATOM 1281 N SER A 83 2.089 6.928 -3.344 1.00 0.00 N ATOM 1282 CA SER A 83 1.343 7.523 -2.254 1.00 0.00 C ATOM 1283 C SER A 83 0.321 6.527 -1.723 1.00 0.00 C ATOM 1284 O SER A 83 0.105 5.476 -2.323 1.00 0.00 O ATOM 1285 CB SER A 83 0.656 8.794 -2.743 1.00 0.00 C ATOM 1286 OG SER A 83 0.259 9.570 -1.634 1.00 0.00 O ATOM 0 H SER A 83 1.546 6.291 -3.927 1.00 0.00 H new ATOM 0 HA SER A 83 2.023 7.782 -1.442 1.00 0.00 H new ATOM 0 HB2 SER A 83 1.334 9.366 -3.377 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.212 8.540 -3.352 1.00 0.00 H new ATOM 0 HG SER A 83 -0.181 10.388 -1.948 1.00 0.00 H new ATOM 1292 N ILE A 84 -0.309 6.861 -0.595 1.00 0.00 N ATOM 1293 CA ILE A 84 -1.305 6.000 0.011 1.00 0.00 C ATOM 1294 C ILE A 84 -2.524 6.822 0.407 1.00 0.00 C ATOM 1295 O ILE A 84 -2.396 7.832 1.096 1.00 0.00 O ATOM 1296 CB ILE A 84 -0.703 5.303 1.227 1.00 0.00 C ATOM 1297 CG1 ILE A 84 0.203 4.165 0.765 1.00 0.00 C ATOM 1298 CG2 ILE A 84 -1.823 4.739 2.097 1.00 0.00 C ATOM 1299 CD1 ILE A 84 0.847 3.502 1.980 1.00 0.00 C ATOM 0 H ILE A 84 -0.140 7.729 -0.086 1.00 0.00 H new ATOM 0 HA ILE A 84 -1.620 5.241 -0.705 1.00 0.00 H new ATOM 0 HB ILE A 84 -0.120 6.020 1.805 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -0.374 3.432 0.201 1.00 0.00 H new ATOM 0 HG13 ILE A 84 0.973 4.548 0.095 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.393 4.241 2.966 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.471 5.551 2.428 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -2.406 4.022 1.519 1.00 0.00 H new ATOM 0 HD11 ILE A 84 1.494 2.689 1.651 1.00 0.00 H new ATOM 0 HD12 ILE A 84 1.438 4.238 2.526 1.00 0.00 H new ATOM 0 HD13 ILE A 84 0.069 3.105 2.633 1.00 0.00 H new ATOM 1311 N ARG A 85 -3.708 6.387 -0.029 1.00 0.00 N ATOM 1312 CA ARG A 85 -4.940 7.083 0.280 1.00 0.00 C ATOM 1313 C ARG A 85 -5.870 6.164 1.060 1.00 0.00 C ATOM 1314 O ARG A 85 -6.103 5.027 0.656 1.00 0.00 O ATOM 1315 CB ARG A 85 -5.600 7.547 -1.015 1.00 0.00 C ATOM 1316 CG ARG A 85 -7.015 8.037 -0.718 1.00 0.00 C ATOM 1317 CD ARG A 85 -7.705 8.422 -2.023 1.00 0.00 C ATOM 1318 NE ARG A 85 -8.690 9.480 -1.804 1.00 0.00 N ATOM 1319 CZ ARG A 85 -9.096 10.307 -2.777 1.00 0.00 C ATOM 1320 NH1 ARG A 85 -8.596 10.183 -4.014 1.00 0.00 N ATOM 1321 NH2 ARG A 85 -10.002 11.259 -2.514 1.00 0.00 N ATOM 0 H ARG A 85 -3.830 5.550 -0.600 1.00 0.00 H new ATOM 0 HA ARG A 85 -4.724 7.956 0.895 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -5.014 8.347 -1.468 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -5.631 6.728 -1.734 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -7.582 7.257 -0.211 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -6.981 8.894 -0.046 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -6.961 8.757 -2.746 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -8.195 7.547 -2.451 1.00 0.00 H new ATOM 0 HE ARG A 85 -9.085 9.593 -0.870 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -7.906 9.459 -4.215 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -8.905 10.813 -4.755 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -10.383 11.354 -1.573 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -10.311 11.888 -3.255 1.00 0.00 H new ATOM 1335 N ILE A 86 -6.401 6.659 2.180 1.00 0.00 N ATOM 1336 CA ILE A 86 -7.303 5.885 3.009 1.00 0.00 C ATOM 1337 C ILE A 86 -8.685 6.522 3.001 1.00 0.00 C ATOM 1338 O ILE A 86 -8.810 7.739 3.121 1.00 0.00 O ATOM 1339 CB ILE A 86 -6.749 5.809 4.429 1.00 0.00 C ATOM 1340 CG1 ILE A 86 -5.302 5.328 4.386 1.00 0.00 C ATOM 1341 CG2 ILE A 86 -7.586 4.833 5.249 1.00 0.00 C ATOM 1342 CD1 ILE A 86 -4.759 5.221 5.808 1.00 0.00 C ATOM 0 H ILE A 86 -6.215 7.600 2.528 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.390 4.873 2.613 1.00 0.00 H new ATOM 0 HB ILE A 86 -6.789 6.797 4.888 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -5.244 4.359 3.889 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -4.694 6.021 3.804 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -7.191 4.778 6.263 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -8.620 5.177 5.280 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -7.546 3.845 4.790 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -3.725 4.877 5.778 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -4.803 6.198 6.289 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -5.361 4.511 6.375 1.00 0.00 H new ATOM 1354 N TYR A 87 -9.725 5.697 2.859 1.00 0.00 N ATOM 1355 CA TYR A 87 -11.089 6.185 2.835 1.00 0.00 C ATOM 1356 C TYR A 87 -11.609 6.335 4.258 1.00 0.00 C ATOM 1357 O TYR A 87 -12.751 6.738 4.464 1.00 0.00 O ATOM 1358 CB TYR A 87 -11.960 5.217 2.040 1.00 0.00 C ATOM 1359 CG TYR A 87 -11.700 5.254 0.553 1.00 0.00 C ATOM 1360 CD1 TYR A 87 -10.418 4.981 0.060 1.00 0.00 C ATOM 1361 CD2 TYR A 87 -12.740 5.562 -0.333 1.00 0.00 C ATOM 1362 CE1 TYR A 87 -10.177 5.016 -1.319 1.00 0.00 C ATOM 1363 CE2 TYR A 87 -12.498 5.596 -1.711 1.00 0.00 C ATOM 1364 CZ TYR A 87 -11.217 5.324 -2.204 1.00 0.00 C ATOM 1365 OH TYR A 87 -10.982 5.358 -3.548 1.00 0.00 O ATOM 0 H TYR A 87 -9.639 4.686 2.759 1.00 0.00 H new ATOM 0 HA TYR A 87 -11.121 7.162 2.353 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -11.790 4.204 2.405 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -13.009 5.450 2.223 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -9.616 4.744 0.743 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -13.729 5.773 0.047 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -9.189 4.805 -1.700 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -13.300 5.832 -2.394 1.00 0.00 H new ATOM 0 HH TYR A 87 -10.150 4.880 -3.747 1.00 0.00 H new TER 1375 TYR A 87 CONECT 106 381 CONECT 381 106 END