USER MOD reduce.3.24.130724 H: found=0, std=0, add=684, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 684 hydrogens (0 hets) HEADER ELECTRON TRANSPORT PROTEIN 20-MAY-94 1PLB TITLE HIGH-RESOLUTION SOLUTION STRUCTURE OF REDUCED PARSLEY TITLE 2 PLASTOCYANIN COMPND MOL_ID: 1; COMPND 2 MOLECULE: PLASTOCYANIN; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: PETROSELINUM CRISPUM; SOURCE 3 ORGANISM_COMMON: PARSLEY; SOURCE 4 ORGANISM_TAXID: 4043 KEYWDS ELECTRON TRANSPORT PROTEIN EXPDTA SOLUTION NMR AUTHOR S.BAGBY,P.C.DRISCOLL,T.S.HARVEY,H.A.O.HILL REVDAT 3 24-FEB-09 1PLB 1 VERSN REVDAT 2 01-APR-03 1PLB 1 JRNL REVDAT 1 31-AUG-94 1PLB 0 JRNL AUTH S.BAGBY,P.C.DRISCOLL,T.S.HARVEY,H.A.HILL JRNL TITL HIGH-RESOLUTION SOLUTION STRUCTURE OF REDUCED JRNL TITL 2 PARSLEY PLASTOCYANIN. JRNL REF BIOCHEMISTRY V. 33 6611 1994 JRNL REFN ISSN 0006-2960 JRNL PMID 8204598 JRNL DOI 10.1021/BI00187A031 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : YASAP, X-PLOR REMARK 3 AUTHORS : NILGES,GRONENBORN,BRUNGER,CLORE,KUSZEWSKI REMARK 3 (YASAP), BRUNGER (X-PLOR) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1PLB COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : NULL REMARK 210 PH : NULL REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : NULL REMARK 210 SPECTROMETER MODEL : NULL REMARK 210 SPECTROMETER MANUFACTURER : NULL REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : NULL 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: COVALENT BOND LENGTHS REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 HIS A 37 NE2 HIS A 37 CD2 -0.129 REMARK 500 HIS A 85 NE2 HIS A 85 CD2 -0.121 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 LYS A 30 CD - CE - NZ ANGL. DEV. = 19.8 DEGREES 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 9 -16.06 -167.45 REMARK 500 ALA A 23 75.70 -64.43 REMARK 500 ALA A 33 112.83 164.94 REMARK 500 GLU A 43 25.20 -70.14 REMARK 500 TYR A 60 172.89 -54.53 REMARK 500 THR A 73 36.91 -150.79 REMARK 500 LYS A 75 109.22 -47.18 REMARK 500 TYR A 81 -178.34 -170.60 REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CU A 100 CU REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS A 82 SG REMARK 620 2 HIS A 85 ND1 112.4 REMARK 620 3 HIS A 37 ND1 144.5 96.2 REMARK 620 N 1 2 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: CU REMARK 800 EVIDENCE_CODE: UNKNOWN REMARK 800 SITE_DESCRIPTION: NULL REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CU A 100 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1PLA RELATED DB: PDB DBREF 1PLB A 1 97 UNP P17341 PLAS_PETCR 1 97 SEQRES 1 A 97 ALA GLU VAL LYS LEU GLY SER ASP ASP GLY GLY LEU VAL SEQRES 2 A 97 PHE SER PRO SER SER PHE THR VAL ALA ALA GLY GLU LYS SEQRES 3 A 97 ILE THR PHE LYS ASN ASN ALA GLY PHE PRO HIS ASN ILE SEQRES 4 A 97 VAL PHE ASP GLU ASP GLU VAL PRO ALA GLY VAL ASN ALA SEQRES 5 A 97 GLU LYS ILE SER GLN PRO GLU TYR LEU ASN GLY ALA GLY SEQRES 6 A 97 GLU THR TYR GLU VAL THR LEU THR GLU LYS GLY THR TYR SEQRES 7 A 97 LYS PHE TYR CYS GLU PRO HIS ALA GLY ALA GLY MET LYS SEQRES 8 A 97 GLY GLU VAL THR VAL ASN HET CU A 100 1 HETNAM CU COPPER (II) ION FORMUL 2 CU CU 2+ HELIX 1 H1 ALA A 52 SER A 56 5 5 SHEET 1 I 4 GLY A 11 PHE A 14 0 SHEET 2 I 4 ALA A 1 SER A 7 -1 N GLY A 6 O VAL A 13 SHEET 3 I 4 GLU A 25 ASN A 32 1 O LYS A 26 N ALA A 1 SHEET 4 I 4 THR A 67 GLU A 74 -1 O TYR A 68 N ASN A 31 SHEET 1 II 4 SER A 17 VAL A 21 0 SHEET 2 II 4 GLY A 92 ASN A 97 1 N THR A 95 O SER A 17 SHEET 3 II 4 TYR A 78 HIS A 85 -1 N TYR A 78 O VAL A 96 SHEET 4 II 4 PRO A 36 PHE A 41 -1 N VAL A 40 O GLU A 83 LINK CU CU A 100 SG CYS A 82 1555 1555 2.02 LINK CU CU A 100 ND1 HIS A 85 1555 1555 2.22 LINK CU CU A 100 ND1 HIS A 37 1555 1555 2.09 CISPEP 1 SER A 15 PRO A 16 0 -0.16 CISPEP 2 PHE A 35 PRO A 36 0 -0.65 SITE *** CU 4 HIS A 37 PRO A 84 GLY A 87 GLY A 92 SITE *** AC1 4 HIS A 37 CYS A 82 HIS A 85 MET A 90 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 37 HIS HD1 : A 37 HIS ND1 : A 100 CUCU :(H bumps) USER MOD NoAdj-H: A 85 HIS HD1 : A 85 HIS ND1 : A 100 CUCU :(H bumps) USER MOD Single : A 1 ALA N :NH3+ -174:sc= 0.108 (180deg=0.0977) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot -46:sc=-0.00271 USER MOD Single : A 15 SER OG : rot 180:sc= -0.657 USER MOD Single : A 17 SER OG : rot 23:sc= 0.699 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 43:sc= 0.552 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -3.46! C(o=-3.5!,f=-3.6!) USER MOD Single : A 32 ASN : amide:sc= 0.0564 K(o=0.056,f=-0.8) USER MOD Single : A 38 ASN :FLIP amide:sc= 0.797 F(o=-3.7!,f=0.8) USER MOD Single : A 51 ASN : amide:sc= -0.114 K(o=-0.11,f=-1.9!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 98:sc= 1.56 USER MOD Single : A 57 GLN : amide:sc= -9.15! C(o=-9.2!,f=-9.8!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.476 X(o=-0.48,f=-0.025) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc=-0.000157 USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.0364 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot -11:sc= -0.925 USER MOD Single : A 79 LYS NZ :NH3+ -123:sc= -2.83! (180deg=-6.24!) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl 154:sc= -1.12 (180deg=-2.48) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.0469 X(o=-0.047,f=-0.3) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -3.076 6.328 -32.746 1.00 0.00 N ATOM 2 CA ALA A 1 -3.754 7.412 -31.995 1.00 0.00 C ATOM 3 C ALA A 1 -4.974 6.862 -31.268 1.00 0.00 C ATOM 4 O ALA A 1 -5.739 6.100 -31.828 1.00 0.00 O ATOM 5 CB ALA A 1 -4.219 8.509 -32.965 1.00 0.00 C ATOM 0 H1 ALA A 1 -2.191 6.690 -33.155 1.00 0.00 H new ATOM 0 H2 ALA A 1 -2.863 5.540 -32.102 1.00 0.00 H new ATOM 0 H3 ALA A 1 -3.698 5.993 -33.509 1.00 0.00 H new ATOM 0 HA ALA A 1 -3.048 7.825 -31.274 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -4.716 9.302 -32.406 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -3.357 8.920 -33.489 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -4.915 8.084 -33.689 1.00 0.00 H new ATOM 13 N GLU A 2 -5.129 7.262 -30.028 1.00 0.00 N ATOM 14 CA GLU A 2 -6.291 6.783 -29.228 1.00 0.00 C ATOM 15 C GLU A 2 -7.148 7.951 -28.770 1.00 0.00 C ATOM 16 O GLU A 2 -6.644 8.907 -28.212 1.00 0.00 O ATOM 17 CB GLU A 2 -5.753 6.057 -27.987 1.00 0.00 C ATOM 18 CG GLU A 2 -5.425 4.611 -28.353 1.00 0.00 C ATOM 19 CD GLU A 2 -4.216 4.146 -27.539 1.00 0.00 C ATOM 20 OE1 GLU A 2 -4.332 4.186 -26.326 1.00 0.00 O ATOM 21 OE2 GLU A 2 -3.243 3.779 -28.177 1.00 0.00 O ATOM 0 H GLU A 2 -4.499 7.899 -29.540 1.00 0.00 H new ATOM 0 HA GLU A 2 -6.899 6.120 -29.843 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -4.862 6.561 -27.614 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -6.492 6.083 -27.187 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -6.283 3.969 -28.151 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -5.212 4.533 -29.419 1.00 0.00 H new ATOM 28 N VAL A 3 -8.434 7.849 -29.014 1.00 0.00 N ATOM 29 CA VAL A 3 -9.356 8.941 -28.601 1.00 0.00 C ATOM 30 C VAL A 3 -10.314 8.464 -27.526 1.00 0.00 C ATOM 31 O VAL A 3 -10.777 7.340 -27.556 1.00 0.00 O ATOM 32 CB VAL A 3 -10.172 9.382 -29.824 1.00 0.00 C ATOM 33 CG1 VAL A 3 -10.999 10.616 -29.457 1.00 0.00 C ATOM 34 CG2 VAL A 3 -9.220 9.739 -30.964 1.00 0.00 C ATOM 0 H VAL A 3 -8.878 7.058 -29.480 1.00 0.00 H new ATOM 0 HA VAL A 3 -8.766 9.767 -28.204 1.00 0.00 H new ATOM 0 HB VAL A 3 -10.832 8.573 -30.136 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -11.581 10.934 -30.322 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -11.673 10.371 -28.636 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -10.333 11.423 -29.151 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -9.796 10.053 -31.834 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -8.565 10.552 -30.650 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -8.618 8.867 -31.222 1.00 0.00 H new ATOM 44 N LYS A 4 -10.589 9.336 -26.593 1.00 0.00 N ATOM 45 CA LYS A 4 -11.516 8.985 -25.493 1.00 0.00 C ATOM 46 C LYS A 4 -12.789 9.815 -25.578 1.00 0.00 C ATOM 47 O LYS A 4 -12.745 11.033 -25.501 1.00 0.00 O ATOM 48 CB LYS A 4 -10.820 9.304 -24.161 1.00 0.00 C ATOM 49 CG LYS A 4 -9.726 8.266 -23.898 1.00 0.00 C ATOM 50 CD LYS A 4 -8.671 8.874 -22.968 1.00 0.00 C ATOM 51 CE LYS A 4 -8.095 7.773 -22.076 1.00 0.00 C ATOM 52 NZ LYS A 4 -6.793 8.205 -21.491 1.00 0.00 N ATOM 0 H LYS A 4 -10.206 10.280 -26.551 1.00 0.00 H new ATOM 0 HA LYS A 4 -11.775 7.929 -25.566 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -10.388 10.304 -24.194 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -11.546 9.298 -23.348 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -10.156 7.373 -23.445 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -9.267 7.958 -24.837 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -7.877 9.338 -23.553 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -9.116 9.659 -22.356 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -8.799 7.537 -21.278 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -7.955 6.861 -22.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -6.415 7.447 -20.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -6.119 8.408 -22.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -6.936 9.062 -20.920 1.00 0.00 H new ATOM 66 N LEU A 5 -13.902 9.152 -25.753 1.00 0.00 N ATOM 67 CA LEU A 5 -15.173 9.893 -25.820 1.00 0.00 C ATOM 68 C LEU A 5 -15.657 10.224 -24.424 1.00 0.00 C ATOM 69 O LEU A 5 -15.978 9.343 -23.650 1.00 0.00 O ATOM 70 CB LEU A 5 -16.218 9.028 -26.513 1.00 0.00 C ATOM 71 CG LEU A 5 -15.812 8.823 -27.977 1.00 0.00 C ATOM 72 CD1 LEU A 5 -16.304 7.456 -28.454 1.00 0.00 C ATOM 73 CD2 LEU A 5 -16.451 9.914 -28.838 1.00 0.00 C ATOM 0 H LEU A 5 -13.976 8.139 -25.850 1.00 0.00 H new ATOM 0 HA LEU A 5 -15.018 10.818 -26.376 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -16.303 8.066 -26.009 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -17.197 9.505 -26.458 1.00 0.00 H new ATOM 0 HG LEU A 5 -14.727 8.874 -28.064 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -16.016 7.309 -29.495 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -15.858 6.674 -27.840 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -17.390 7.410 -28.368 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -16.164 9.770 -29.880 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -17.536 9.858 -28.750 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -16.109 10.892 -28.499 1.00 0.00 H new ATOM 85 N GLY A 6 -15.696 11.489 -24.127 1.00 0.00 N ATOM 86 CA GLY A 6 -16.143 11.918 -22.772 1.00 0.00 C ATOM 87 C GLY A 6 -14.937 12.358 -21.942 1.00 0.00 C ATOM 88 O GLY A 6 -13.839 11.871 -22.128 1.00 0.00 O ATOM 0 H GLY A 6 -15.439 12.246 -24.761 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -16.856 12.738 -22.857 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -16.659 11.098 -22.273 1.00 0.00 H new ATOM 92 N SER A 7 -15.167 13.268 -21.045 1.00 0.00 N ATOM 93 CA SER A 7 -14.058 13.759 -20.206 1.00 0.00 C ATOM 94 C SER A 7 -13.859 12.864 -18.986 1.00 0.00 C ATOM 95 O SER A 7 -14.554 11.882 -18.815 1.00 0.00 O ATOM 96 CB SER A 7 -14.413 15.176 -19.739 1.00 0.00 C ATOM 97 OG SER A 7 -15.297 14.973 -18.648 1.00 0.00 O ATOM 0 H SER A 7 -16.077 13.691 -20.859 1.00 0.00 H new ATOM 0 HA SER A 7 -13.135 13.754 -20.785 1.00 0.00 H new ATOM 0 HB2 SER A 7 -13.525 15.729 -19.434 1.00 0.00 H new ATOM 0 HB3 SER A 7 -14.888 15.750 -20.535 1.00 0.00 H new ATOM 0 HG SER A 7 -15.967 14.300 -18.891 1.00 0.00 H new ATOM 103 N ASP A 8 -12.911 13.229 -18.157 1.00 0.00 N ATOM 104 CA ASP A 8 -12.628 12.411 -16.943 1.00 0.00 C ATOM 105 C ASP A 8 -13.139 13.085 -15.666 1.00 0.00 C ATOM 106 O ASP A 8 -12.577 12.901 -14.605 1.00 0.00 O ATOM 107 CB ASP A 8 -11.104 12.247 -16.827 1.00 0.00 C ATOM 108 CG ASP A 8 -10.610 11.292 -17.917 1.00 0.00 C ATOM 109 OD1 ASP A 8 -10.299 11.800 -18.982 1.00 0.00 O ATOM 110 OD2 ASP A 8 -10.572 10.109 -17.622 1.00 0.00 O ATOM 0 H ASP A 8 -12.324 14.056 -18.270 1.00 0.00 H new ATOM 0 HA ASP A 8 -13.137 11.452 -17.046 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -10.614 13.216 -16.928 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -10.843 11.859 -15.843 1.00 0.00 H new ATOM 115 N ASP A 9 -14.192 13.853 -15.783 1.00 0.00 N ATOM 116 CA ASP A 9 -14.732 14.524 -14.567 1.00 0.00 C ATOM 117 C ASP A 9 -16.114 15.118 -14.822 1.00 0.00 C ATOM 118 O ASP A 9 -16.828 15.439 -13.893 1.00 0.00 O ATOM 119 CB ASP A 9 -13.774 15.660 -14.165 1.00 0.00 C ATOM 120 CG ASP A 9 -13.085 16.210 -15.414 1.00 0.00 C ATOM 121 OD1 ASP A 9 -12.089 15.616 -15.789 1.00 0.00 O ATOM 122 OD2 ASP A 9 -13.593 17.196 -15.922 1.00 0.00 O ATOM 0 H ASP A 9 -14.692 14.041 -16.652 1.00 0.00 H new ATOM 0 HA ASP A 9 -14.819 13.781 -13.774 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -14.325 16.454 -13.661 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -13.030 15.291 -13.459 1.00 0.00 H new ATOM 127 N GLY A 10 -16.470 15.252 -16.075 1.00 0.00 N ATOM 128 CA GLY A 10 -17.808 15.831 -16.394 1.00 0.00 C ATOM 129 C GLY A 10 -17.723 16.731 -17.626 1.00 0.00 C ATOM 130 O GLY A 10 -17.676 17.938 -17.512 1.00 0.00 O ATOM 0 H GLY A 10 -15.901 14.989 -16.880 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -18.525 15.029 -16.571 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -18.175 16.404 -15.543 1.00 0.00 H new ATOM 134 N GLY A 11 -17.702 16.126 -18.777 1.00 0.00 N ATOM 135 CA GLY A 11 -17.627 16.934 -20.027 1.00 0.00 C ATOM 136 C GLY A 11 -17.721 16.027 -21.252 1.00 0.00 C ATOM 137 O GLY A 11 -17.020 15.048 -21.348 1.00 0.00 O ATOM 0 H GLY A 11 -17.733 15.115 -18.909 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -18.436 17.665 -20.045 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -16.692 17.493 -20.051 1.00 0.00 H new ATOM 141 N LEU A 12 -18.580 16.379 -22.170 1.00 0.00 N ATOM 142 CA LEU A 12 -18.728 15.542 -23.392 1.00 0.00 C ATOM 143 C LEU A 12 -17.945 16.141 -24.548 1.00 0.00 C ATOM 144 O LEU A 12 -18.411 17.049 -25.204 1.00 0.00 O ATOM 145 CB LEU A 12 -20.216 15.510 -23.781 1.00 0.00 C ATOM 146 CG LEU A 12 -20.984 14.653 -22.774 1.00 0.00 C ATOM 147 CD1 LEU A 12 -22.420 15.169 -22.663 1.00 0.00 C ATOM 148 CD2 LEU A 12 -21.006 13.204 -23.259 1.00 0.00 C ATOM 0 H LEU A 12 -19.180 17.203 -22.127 1.00 0.00 H new ATOM 0 HA LEU A 12 -18.351 14.540 -23.186 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -20.621 16.522 -23.798 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -20.332 15.103 -24.785 1.00 0.00 H new ATOM 0 HG LEU A 12 -20.498 14.707 -21.800 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -22.971 14.560 -21.946 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -22.409 16.206 -22.326 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -22.905 15.109 -23.638 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -21.553 12.589 -22.544 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -21.497 13.153 -24.231 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -19.984 12.835 -23.349 1.00 0.00 H new ATOM 160 N VAL A 13 -16.759 15.632 -24.780 1.00 0.00 N ATOM 161 CA VAL A 13 -15.955 16.180 -25.894 1.00 0.00 C ATOM 162 C VAL A 13 -15.062 15.119 -26.509 1.00 0.00 C ATOM 163 O VAL A 13 -14.722 14.137 -25.871 1.00 0.00 O ATOM 164 CB VAL A 13 -15.056 17.298 -25.334 1.00 0.00 C ATOM 165 CG1 VAL A 13 -15.927 18.485 -24.913 1.00 0.00 C ATOM 166 CG2 VAL A 13 -14.290 16.769 -24.110 1.00 0.00 C ATOM 0 H VAL A 13 -16.327 14.874 -24.251 1.00 0.00 H new ATOM 0 HA VAL A 13 -16.634 16.551 -26.662 1.00 0.00 H new ATOM 0 HB VAL A 13 -14.348 17.617 -26.099 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -15.294 19.278 -24.516 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -16.477 18.858 -25.777 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -16.632 18.165 -24.145 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -13.652 17.558 -23.711 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -15.000 16.454 -23.345 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -13.674 15.920 -24.405 1.00 0.00 H new ATOM 176 N PHE A 14 -14.703 15.330 -27.746 1.00 0.00 N ATOM 177 CA PHE A 14 -13.792 14.377 -28.399 1.00 0.00 C ATOM 178 C PHE A 14 -12.401 14.680 -27.901 1.00 0.00 C ATOM 179 O PHE A 14 -11.845 15.708 -28.228 1.00 0.00 O ATOM 180 CB PHE A 14 -13.838 14.602 -29.922 1.00 0.00 C ATOM 181 CG PHE A 14 -15.030 13.843 -30.528 1.00 0.00 C ATOM 182 CD1 PHE A 14 -16.277 14.444 -30.626 1.00 0.00 C ATOM 183 CD2 PHE A 14 -14.875 12.546 -30.989 1.00 0.00 C ATOM 184 CE1 PHE A 14 -17.342 13.757 -31.172 1.00 0.00 C ATOM 185 CE2 PHE A 14 -15.943 11.864 -31.535 1.00 0.00 C ATOM 186 CZ PHE A 14 -17.174 12.468 -31.625 1.00 0.00 C ATOM 0 H PHE A 14 -15.004 16.117 -28.320 1.00 0.00 H new ATOM 0 HA PHE A 14 -14.075 13.348 -28.177 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -13.926 15.667 -30.138 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -12.909 14.260 -30.377 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -16.415 15.455 -30.273 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -13.911 12.065 -30.921 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -18.309 14.232 -31.244 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -15.811 10.853 -31.892 1.00 0.00 H new ATOM 0 HZ PHE A 14 -18.009 11.932 -32.051 1.00 0.00 H new ATOM 196 N SER A 15 -11.870 13.798 -27.100 1.00 0.00 N ATOM 197 CA SER A 15 -10.530 14.051 -26.518 1.00 0.00 C ATOM 198 C SER A 15 -9.473 13.029 -27.029 1.00 0.00 C ATOM 199 O SER A 15 -9.529 11.879 -26.658 1.00 0.00 O ATOM 200 CB SER A 15 -10.686 13.876 -24.997 1.00 0.00 C ATOM 201 OG SER A 15 -11.661 14.841 -24.638 1.00 0.00 O ATOM 0 H SER A 15 -12.307 12.918 -26.826 1.00 0.00 H new ATOM 0 HA SER A 15 -10.185 15.046 -26.801 1.00 0.00 H new ATOM 0 HB2 SER A 15 -11.011 12.867 -24.743 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.744 14.048 -24.477 1.00 0.00 H new ATOM 0 HG SER A 15 -11.825 14.797 -23.673 1.00 0.00 H new ATOM 207 N PRO A 16 -8.499 13.460 -27.876 1.00 0.00 N ATOM 208 CA PRO A 16 -8.348 14.849 -28.374 1.00 0.00 C ATOM 209 C PRO A 16 -9.507 15.251 -29.281 1.00 0.00 C ATOM 210 O PRO A 16 -10.370 14.450 -29.579 1.00 0.00 O ATOM 211 CB PRO A 16 -7.050 14.827 -29.213 1.00 0.00 C ATOM 212 CG PRO A 16 -6.503 13.372 -29.193 1.00 0.00 C ATOM 213 CD PRO A 16 -7.486 12.523 -28.374 1.00 0.00 C ATOM 0 HA PRO A 16 -8.326 15.558 -27.547 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.249 15.147 -30.236 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -6.315 15.518 -28.800 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -6.412 12.982 -30.207 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.508 13.342 -28.749 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -7.940 11.746 -28.990 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -6.978 12.021 -27.550 1.00 0.00 H new ATOM 221 N SER A 17 -9.500 16.485 -29.710 1.00 0.00 N ATOM 222 CA SER A 17 -10.586 16.956 -30.611 1.00 0.00 C ATOM 223 C SER A 17 -10.159 16.842 -32.070 1.00 0.00 C ATOM 224 O SER A 17 -10.832 16.214 -32.872 1.00 0.00 O ATOM 225 CB SER A 17 -10.866 18.433 -30.296 1.00 0.00 C ATOM 226 OG SER A 17 -11.919 18.394 -29.346 1.00 0.00 O ATOM 0 H SER A 17 -8.793 17.182 -29.476 1.00 0.00 H new ATOM 0 HA SER A 17 -11.474 16.344 -30.454 1.00 0.00 H new ATOM 0 HB2 SER A 17 -9.983 18.928 -29.891 1.00 0.00 H new ATOM 0 HB3 SER A 17 -11.158 18.983 -31.191 1.00 0.00 H new ATOM 0 HG SER A 17 -11.921 17.524 -28.895 1.00 0.00 H new ATOM 232 N SER A 18 -9.045 17.458 -32.386 1.00 0.00 N ATOM 233 CA SER A 18 -8.537 17.401 -33.781 1.00 0.00 C ATOM 234 C SER A 18 -7.052 17.050 -33.791 1.00 0.00 C ATOM 235 O SER A 18 -6.317 17.455 -32.913 1.00 0.00 O ATOM 236 CB SER A 18 -8.728 18.786 -34.423 1.00 0.00 C ATOM 237 OG SER A 18 -8.382 19.700 -33.390 1.00 0.00 O ATOM 0 H SER A 18 -8.471 17.995 -31.736 1.00 0.00 H new ATOM 0 HA SER A 18 -9.083 16.638 -34.336 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.088 18.912 -35.297 1.00 0.00 H new ATOM 0 HB3 SER A 18 -9.755 18.932 -34.756 1.00 0.00 H new ATOM 0 HG SER A 18 -8.476 20.618 -33.720 1.00 0.00 H new ATOM 243 N PHE A 19 -6.630 16.306 -34.784 1.00 0.00 N ATOM 244 CA PHE A 19 -5.194 15.922 -34.832 1.00 0.00 C ATOM 245 C PHE A 19 -4.825 15.333 -36.188 1.00 0.00 C ATOM 246 O PHE A 19 -5.636 14.702 -36.837 1.00 0.00 O ATOM 247 CB PHE A 19 -4.946 14.859 -33.749 1.00 0.00 C ATOM 248 CG PHE A 19 -5.941 13.706 -33.926 1.00 0.00 C ATOM 249 CD1 PHE A 19 -7.214 13.784 -33.384 1.00 0.00 C ATOM 250 CD2 PHE A 19 -5.581 12.569 -34.631 1.00 0.00 C ATOM 251 CE1 PHE A 19 -8.108 12.743 -33.546 1.00 0.00 C ATOM 252 CE2 PHE A 19 -6.478 11.531 -34.790 1.00 0.00 C ATOM 253 CZ PHE A 19 -7.738 11.619 -34.247 1.00 0.00 C ATOM 0 H PHE A 19 -7.208 15.956 -35.548 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.585 16.810 -34.666 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.924 14.486 -33.818 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -5.057 15.301 -32.759 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -7.509 14.664 -32.832 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.592 12.494 -35.059 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -9.099 12.812 -33.122 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -6.189 10.649 -35.342 1.00 0.00 H new ATOM 0 HZ PHE A 19 -8.437 10.805 -34.371 1.00 0.00 H new ATOM 263 N THR A 20 -3.600 15.548 -36.591 1.00 0.00 N ATOM 264 CA THR A 20 -3.158 15.012 -37.893 1.00 0.00 C ATOM 265 C THR A 20 -2.503 13.640 -37.733 1.00 0.00 C ATOM 266 O THR A 20 -2.020 13.299 -36.672 1.00 0.00 O ATOM 267 CB THR A 20 -2.131 15.982 -38.481 1.00 0.00 C ATOM 268 OG1 THR A 20 -0.868 15.448 -38.135 1.00 0.00 O ATOM 269 CG2 THR A 20 -2.185 17.338 -37.763 1.00 0.00 C ATOM 0 H THR A 20 -2.895 16.071 -36.071 1.00 0.00 H new ATOM 0 HA THR A 20 -4.024 14.904 -38.546 1.00 0.00 H new ATOM 0 HB THR A 20 -2.313 16.107 -39.548 1.00 0.00 H new ATOM 0 HG1 THR A 20 -0.160 16.027 -38.487 1.00 0.00 H new ATOM 0 HG21 THR A 20 -1.446 18.010 -38.199 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.179 17.770 -37.876 1.00 0.00 H new ATOM 0 HG23 THR A 20 -1.968 17.198 -36.704 1.00 0.00 H new ATOM 277 N VAL A 21 -2.502 12.875 -38.798 1.00 0.00 N ATOM 278 CA VAL A 21 -1.883 11.524 -38.732 1.00 0.00 C ATOM 279 C VAL A 21 -1.270 11.141 -40.074 1.00 0.00 C ATOM 280 O VAL A 21 -1.579 11.728 -41.091 1.00 0.00 O ATOM 281 CB VAL A 21 -2.977 10.499 -38.379 1.00 0.00 C ATOM 282 CG1 VAL A 21 -3.664 10.921 -37.082 1.00 0.00 C ATOM 283 CG2 VAL A 21 -4.013 10.458 -39.503 1.00 0.00 C ATOM 0 H VAL A 21 -2.901 13.129 -39.702 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.097 11.533 -37.977 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.528 9.514 -38.255 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.439 10.198 -36.829 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.929 10.962 -36.278 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.114 11.905 -37.212 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.789 9.733 -39.256 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.462 11.444 -39.620 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.528 10.167 -40.435 1.00 0.00 H new ATOM 293 N ALA A 22 -0.407 10.161 -40.051 1.00 0.00 N ATOM 294 CA ALA A 22 0.236 9.726 -41.316 1.00 0.00 C ATOM 295 C ALA A 22 -0.693 8.816 -42.106 1.00 0.00 C ATOM 296 O ALA A 22 -1.436 8.044 -41.538 1.00 0.00 O ATOM 297 CB ALA A 22 1.511 8.944 -40.966 1.00 0.00 C ATOM 0 H ALA A 22 -0.123 9.649 -39.216 1.00 0.00 H new ATOM 0 HA ALA A 22 0.466 10.603 -41.921 1.00 0.00 H new ATOM 0 HB1 ALA A 22 1.999 8.615 -41.883 1.00 0.00 H new ATOM 0 HB2 ALA A 22 2.189 9.586 -40.404 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.251 8.075 -40.362 1.00 0.00 H new ATOM 303 N ALA A 23 -0.638 8.925 -43.406 1.00 0.00 N ATOM 304 CA ALA A 23 -1.511 8.069 -44.247 1.00 0.00 C ATOM 305 C ALA A 23 -1.148 6.595 -44.086 1.00 0.00 C ATOM 306 O ALA A 23 -0.527 6.008 -44.949 1.00 0.00 O ATOM 307 CB ALA A 23 -1.311 8.469 -45.717 1.00 0.00 C ATOM 0 H ALA A 23 -0.030 9.566 -43.916 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.547 8.208 -43.939 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.945 7.850 -46.352 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.579 9.517 -45.848 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.267 8.324 -45.995 1.00 0.00 H new ATOM 313 N GLY A 24 -1.543 6.024 -42.979 1.00 0.00 N ATOM 314 CA GLY A 24 -1.232 4.587 -42.742 1.00 0.00 C ATOM 315 C GLY A 24 -1.271 4.291 -41.245 1.00 0.00 C ATOM 316 O GLY A 24 -0.780 3.275 -40.795 1.00 0.00 O ATOM 0 H GLY A 24 -2.064 6.488 -42.234 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.952 3.958 -43.265 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.248 4.347 -43.144 1.00 0.00 H new ATOM 320 N GLU A 25 -1.864 5.193 -40.510 1.00 0.00 N ATOM 321 CA GLU A 25 -1.950 5.012 -39.041 1.00 0.00 C ATOM 322 C GLU A 25 -3.339 4.545 -38.629 1.00 0.00 C ATOM 323 O GLU A 25 -4.306 4.776 -39.326 1.00 0.00 O ATOM 324 CB GLU A 25 -1.677 6.374 -38.389 1.00 0.00 C ATOM 325 CG GLU A 25 -1.276 6.170 -36.922 1.00 0.00 C ATOM 326 CD GLU A 25 0.237 6.360 -36.780 1.00 0.00 C ATOM 327 OE1 GLU A 25 0.932 5.401 -37.068 1.00 0.00 O ATOM 328 OE2 GLU A 25 0.611 7.455 -36.391 1.00 0.00 O ATOM 0 H GLU A 25 -2.292 6.047 -40.868 1.00 0.00 H new ATOM 0 HA GLU A 25 -1.227 4.260 -38.725 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.882 6.893 -38.925 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -2.565 7.003 -38.450 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.805 6.880 -36.286 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.562 5.172 -36.590 1.00 0.00 H new ATOM 335 N LYS A 26 -3.411 3.894 -37.501 1.00 0.00 N ATOM 336 CA LYS A 26 -4.727 3.407 -37.022 1.00 0.00 C ATOM 337 C LYS A 26 -5.350 4.397 -36.041 1.00 0.00 C ATOM 338 O LYS A 26 -4.657 4.994 -35.241 1.00 0.00 O ATOM 339 CB LYS A 26 -4.513 2.070 -36.296 1.00 0.00 C ATOM 340 CG LYS A 26 -3.714 1.126 -37.196 1.00 0.00 C ATOM 341 CD LYS A 26 -3.505 -0.202 -36.464 1.00 0.00 C ATOM 342 CE LYS A 26 -2.704 -1.151 -37.358 1.00 0.00 C ATOM 343 NZ LYS A 26 -2.859 -2.560 -36.898 1.00 0.00 N ATOM 0 H LYS A 26 -2.618 3.681 -36.896 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.394 3.292 -37.876 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -3.981 2.233 -35.359 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -5.474 1.623 -36.043 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.245 0.960 -38.133 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -2.752 1.572 -37.449 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -2.976 -0.034 -35.526 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -4.468 -0.647 -36.212 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -3.043 -1.060 -38.390 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -1.651 -0.871 -37.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -2.309 -3.190 -37.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -2.514 -2.646 -35.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -3.863 -2.829 -36.935 1.00 0.00 H new ATOM 357 N ILE A 27 -6.651 4.550 -36.126 1.00 0.00 N ATOM 358 CA ILE A 27 -7.359 5.483 -35.199 1.00 0.00 C ATOM 359 C ILE A 27 -8.416 4.719 -34.421 1.00 0.00 C ATOM 360 O ILE A 27 -9.438 4.348 -34.965 1.00 0.00 O ATOM 361 CB ILE A 27 -8.042 6.569 -36.030 1.00 0.00 C ATOM 362 CG1 ILE A 27 -7.006 7.571 -36.524 1.00 0.00 C ATOM 363 CG2 ILE A 27 -9.061 7.305 -35.137 1.00 0.00 C ATOM 364 CD1 ILE A 27 -7.387 8.030 -37.931 1.00 0.00 C ATOM 0 H ILE A 27 -7.250 4.069 -36.797 1.00 0.00 H new ATOM 0 HA ILE A 27 -6.646 5.928 -34.504 1.00 0.00 H new ATOM 0 HB ILE A 27 -8.541 6.114 -36.886 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -6.958 8.426 -35.850 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -6.016 7.115 -36.532 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -9.557 8.084 -35.716 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -9.804 6.596 -34.772 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -8.544 7.757 -34.291 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -6.650 8.748 -38.292 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -7.413 7.170 -38.600 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -8.370 8.501 -37.907 1.00 0.00 H new ATOM 376 N THR A 28 -8.155 4.499 -33.153 1.00 0.00 N ATOM 377 CA THR A 28 -9.123 3.728 -32.327 1.00 0.00 C ATOM 378 C THR A 28 -9.905 4.617 -31.372 1.00 0.00 C ATOM 379 O THR A 28 -9.338 5.255 -30.506 1.00 0.00 O ATOM 380 CB THR A 28 -8.337 2.709 -31.494 1.00 0.00 C ATOM 381 OG1 THR A 28 -7.289 3.444 -30.896 1.00 0.00 O ATOM 382 CG2 THR A 28 -7.627 1.690 -32.397 1.00 0.00 C ATOM 0 H THR A 28 -7.320 4.819 -32.663 1.00 0.00 H new ATOM 0 HA THR A 28 -9.833 3.249 -33.001 1.00 0.00 H new ATOM 0 HB THR A 28 -9.011 2.201 -30.804 1.00 0.00 H new ATOM 0 HG1 THR A 28 -7.636 4.300 -30.568 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.077 0.979 -31.781 1.00 0.00 H new ATOM 0 HG22 THR A 28 -8.366 1.157 -32.995 1.00 0.00 H new ATOM 0 HG23 THR A 28 -6.933 2.210 -33.057 1.00 0.00 H new ATOM 390 N PHE A 29 -11.200 4.640 -31.546 1.00 0.00 N ATOM 391 CA PHE A 29 -12.041 5.449 -30.632 1.00 0.00 C ATOM 392 C PHE A 29 -12.363 4.624 -29.392 1.00 0.00 C ATOM 393 O PHE A 29 -12.653 3.450 -29.499 1.00 0.00 O ATOM 394 CB PHE A 29 -13.356 5.805 -31.348 1.00 0.00 C ATOM 395 CG PHE A 29 -13.057 6.666 -32.582 1.00 0.00 C ATOM 396 CD1 PHE A 29 -12.836 8.029 -32.454 1.00 0.00 C ATOM 397 CD2 PHE A 29 -13.006 6.095 -33.843 1.00 0.00 C ATOM 398 CE1 PHE A 29 -12.570 8.801 -33.567 1.00 0.00 C ATOM 399 CE2 PHE A 29 -12.740 6.872 -34.952 1.00 0.00 C ATOM 400 CZ PHE A 29 -12.522 8.222 -34.813 1.00 0.00 C ATOM 0 H PHE A 29 -11.703 4.137 -32.276 1.00 0.00 H new ATOM 0 HA PHE A 29 -11.512 6.358 -30.347 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -13.877 4.895 -31.645 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -14.017 6.343 -30.669 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -12.872 8.489 -31.478 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -13.176 5.035 -33.959 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -12.399 9.862 -33.459 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -12.703 6.418 -35.931 1.00 0.00 H new ATOM 0 HZ PHE A 29 -12.313 8.828 -35.682 1.00 0.00 H new ATOM 410 N LYS A 30 -12.311 5.249 -28.237 1.00 0.00 N ATOM 411 CA LYS A 30 -12.585 4.490 -26.980 1.00 0.00 C ATOM 412 C LYS A 30 -13.593 5.212 -26.091 1.00 0.00 C ATOM 413 O LYS A 30 -13.532 6.411 -25.923 1.00 0.00 O ATOM 414 CB LYS A 30 -11.255 4.363 -26.215 1.00 0.00 C ATOM 415 CG LYS A 30 -11.469 3.527 -24.955 1.00 0.00 C ATOM 416 CD LYS A 30 -10.120 2.974 -24.486 1.00 0.00 C ATOM 417 CE LYS A 30 -10.324 2.193 -23.186 1.00 0.00 C ATOM 418 NZ LYS A 30 -9.362 1.755 -22.137 1.00 0.00 N ATOM 0 H LYS A 30 -12.094 6.238 -28.114 1.00 0.00 H new ATOM 0 HA LYS A 30 -13.003 3.517 -27.238 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -10.501 3.897 -26.850 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -10.881 5.351 -25.949 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -11.919 4.136 -24.171 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -12.160 2.709 -25.159 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -9.693 2.326 -25.251 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -9.414 3.789 -24.328 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -11.067 2.774 -22.640 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -10.811 1.271 -23.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -9.872 1.240 -21.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -8.646 1.131 -22.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -8.895 2.588 -21.725 1.00 0.00 H new ATOM 432 N ASN A 31 -14.514 4.459 -25.544 1.00 0.00 N ATOM 433 CA ASN A 31 -15.528 5.074 -24.644 1.00 0.00 C ATOM 434 C ASN A 31 -14.943 5.263 -23.249 1.00 0.00 C ATOM 435 O ASN A 31 -14.625 4.299 -22.581 1.00 0.00 O ATOM 436 CB ASN A 31 -16.734 4.119 -24.546 1.00 0.00 C ATOM 437 CG ASN A 31 -17.853 4.595 -25.479 1.00 0.00 C ATOM 438 OD1 ASN A 31 -17.642 5.402 -26.362 1.00 0.00 O ATOM 439 ND2 ASN A 31 -19.058 4.117 -25.316 1.00 0.00 N ATOM 0 H ASN A 31 -14.605 3.453 -25.682 1.00 0.00 H new ATOM 0 HA ASN A 31 -15.829 6.043 -25.043 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -16.431 3.107 -24.814 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -17.097 4.081 -23.519 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -19.815 4.422 -25.928 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -19.242 3.439 -24.576 1.00 0.00 H new ATOM 446 N ASN A 32 -14.814 6.503 -22.825 1.00 0.00 N ATOM 447 CA ASN A 32 -14.231 6.747 -21.480 1.00 0.00 C ATOM 448 C ASN A 32 -15.314 7.015 -20.439 1.00 0.00 C ATOM 449 O ASN A 32 -15.149 6.682 -19.284 1.00 0.00 O ATOM 450 CB ASN A 32 -13.317 7.977 -21.572 1.00 0.00 C ATOM 451 CG ASN A 32 -13.250 8.664 -20.207 1.00 0.00 C ATOM 452 OD1 ASN A 32 -12.567 8.217 -19.306 1.00 0.00 O ATOM 453 ND2 ASN A 32 -13.941 9.751 -20.013 1.00 0.00 N ATOM 0 H ASN A 32 -15.084 7.336 -23.348 1.00 0.00 H new ATOM 0 HA ASN A 32 -13.678 5.860 -21.171 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -12.318 7.678 -21.890 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -13.697 8.671 -22.322 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -13.907 10.222 -19.109 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -14.516 10.131 -20.765 1.00 0.00 H new ATOM 460 N ALA A 33 -16.408 7.601 -20.864 1.00 0.00 N ATOM 461 CA ALA A 33 -17.505 7.890 -19.895 1.00 0.00 C ATOM 462 C ALA A 33 -18.502 8.879 -20.480 1.00 0.00 C ATOM 463 O ALA A 33 -18.180 10.031 -20.695 1.00 0.00 O ATOM 464 CB ALA A 33 -16.894 8.510 -18.626 1.00 0.00 C ATOM 0 H ALA A 33 -16.585 7.887 -21.827 1.00 0.00 H new ATOM 0 HA ALA A 33 -18.022 6.958 -19.668 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -17.686 8.726 -17.909 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -16.185 7.810 -18.184 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -16.377 9.434 -18.885 1.00 0.00 H new ATOM 470 N GLY A 34 -19.699 8.413 -20.724 1.00 0.00 N ATOM 471 CA GLY A 34 -20.738 9.317 -21.294 1.00 0.00 C ATOM 472 C GLY A 34 -21.565 8.584 -22.348 1.00 0.00 C ATOM 473 O GLY A 34 -22.399 9.177 -23.005 1.00 0.00 O ATOM 0 H GLY A 34 -19.999 7.453 -20.554 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -21.390 9.679 -20.499 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -20.263 10.191 -21.739 1.00 0.00 H new ATOM 477 N PHE A 35 -21.321 7.307 -22.495 1.00 0.00 N ATOM 478 CA PHE A 35 -22.093 6.541 -23.501 1.00 0.00 C ATOM 479 C PHE A 35 -23.602 6.725 -23.262 1.00 0.00 C ATOM 480 O PHE A 35 -24.010 7.145 -22.197 1.00 0.00 O ATOM 481 CB PHE A 35 -21.742 5.039 -23.365 1.00 0.00 C ATOM 482 CG PHE A 35 -20.824 4.810 -22.166 1.00 0.00 C ATOM 483 CD1 PHE A 35 -19.486 5.153 -22.231 1.00 0.00 C ATOM 484 CD2 PHE A 35 -21.319 4.249 -21.000 1.00 0.00 C ATOM 485 CE1 PHE A 35 -18.659 4.940 -21.149 1.00 0.00 C ATOM 486 CE2 PHE A 35 -20.488 4.038 -19.920 1.00 0.00 C ATOM 487 CZ PHE A 35 -19.160 4.383 -19.995 1.00 0.00 C ATOM 0 H PHE A 35 -20.630 6.774 -21.968 1.00 0.00 H new ATOM 0 HA PHE A 35 -21.841 6.902 -24.498 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -22.655 4.455 -23.248 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -21.255 4.690 -24.275 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -19.087 5.590 -23.134 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -22.362 3.975 -20.937 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -17.615 5.211 -21.207 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -20.881 3.601 -19.014 1.00 0.00 H new ATOM 0 HZ PHE A 35 -18.510 4.217 -19.149 1.00 0.00 H new ATOM 497 N PRO A 36 -24.417 6.402 -24.266 1.00 0.00 N ATOM 498 CA PRO A 36 -23.958 5.900 -25.575 1.00 0.00 C ATOM 499 C PRO A 36 -23.421 7.017 -26.471 1.00 0.00 C ATOM 500 O PRO A 36 -23.902 8.129 -26.429 1.00 0.00 O ATOM 501 CB PRO A 36 -25.228 5.322 -26.231 1.00 0.00 C ATOM 502 CG PRO A 36 -26.437 5.708 -25.323 1.00 0.00 C ATOM 503 CD PRO A 36 -25.870 6.460 -24.106 1.00 0.00 C ATOM 0 HA PRO A 36 -23.149 5.181 -25.447 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -25.358 5.724 -27.236 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -25.151 4.239 -26.329 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -27.143 6.335 -25.868 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -26.980 4.818 -25.006 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -26.223 7.491 -24.080 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -26.183 5.992 -23.173 1.00 0.00 H new ATOM 511 N HIS A 37 -22.434 6.681 -27.276 1.00 0.00 N ATOM 512 CA HIS A 37 -21.846 7.700 -28.200 1.00 0.00 C ATOM 513 C HIS A 37 -22.145 7.348 -29.653 1.00 0.00 C ATOM 514 O HIS A 37 -22.666 6.291 -29.943 1.00 0.00 O ATOM 515 CB HIS A 37 -20.323 7.725 -28.016 1.00 0.00 C ATOM 516 CG HIS A 37 -19.967 8.599 -26.829 1.00 0.00 C ATOM 517 ND1 HIS A 37 -20.293 9.918 -26.758 1.00 0.00 N ATOM 518 CD2 HIS A 37 -19.265 8.243 -25.706 1.00 0.00 C ATOM 519 CE1 HIS A 37 -19.760 10.256 -25.593 1.00 0.00 C ATOM 520 NE2 HIS A 37 -19.190 9.281 -25.025 1.00 0.00 N ATOM 0 H HIS A 37 -22.016 5.752 -27.330 1.00 0.00 H new ATOM 0 HA HIS A 37 -22.283 8.671 -27.967 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -19.949 6.713 -27.860 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -19.844 8.107 -28.918 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -18.863 7.270 -25.465 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -19.807 11.251 -25.176 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -18.725 9.339 -24.119 1.00 0.00 H new ATOM 528 N ASN A 38 -21.807 8.242 -30.539 1.00 0.00 N ATOM 529 CA ASN A 38 -22.054 7.975 -31.979 1.00 0.00 C ATOM 530 C ASN A 38 -21.040 8.718 -32.831 1.00 0.00 C ATOM 531 O ASN A 38 -20.616 9.802 -32.481 1.00 0.00 O ATOM 532 CB ASN A 38 -23.462 8.472 -32.336 1.00 0.00 C ATOM 533 CG ASN A 38 -23.933 7.775 -33.614 1.00 0.00 C ATOM 534 OD1 ASN A 38 -23.290 7.994 -34.729 1.00 0.00 O flip ATOM 535 ND2 ASN A 38 -24.889 7.025 -33.609 1.00 0.00 N flip ATOM 0 H ASN A 38 -21.373 9.141 -30.328 1.00 0.00 H new ATOM 0 HA ASN A 38 -21.964 6.905 -32.169 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -24.152 8.264 -31.518 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -23.454 9.553 -32.479 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -25.395 6.850 -32.741 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -25.185 6.570 -34.473 1.00 0.00 H new ATOM 542 N ILE A 39 -20.664 8.121 -33.938 1.00 0.00 N ATOM 543 CA ILE A 39 -19.664 8.779 -34.821 1.00 0.00 C ATOM 544 C ILE A 39 -20.079 8.705 -36.287 1.00 0.00 C ATOM 545 O ILE A 39 -20.316 7.640 -36.820 1.00 0.00 O ATOM 546 CB ILE A 39 -18.320 8.061 -34.656 1.00 0.00 C ATOM 547 CG1 ILE A 39 -17.974 7.930 -33.169 1.00 0.00 C ATOM 548 CG2 ILE A 39 -17.232 8.914 -35.340 1.00 0.00 C ATOM 549 CD1 ILE A 39 -18.457 6.568 -32.641 1.00 0.00 C ATOM 0 H ILE A 39 -21.006 7.216 -34.261 1.00 0.00 H new ATOM 0 HA ILE A 39 -19.590 9.829 -34.537 1.00 0.00 H new ATOM 0 HB ILE A 39 -18.378 7.068 -35.101 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -16.897 8.025 -33.027 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -18.442 8.736 -32.605 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -16.265 8.422 -35.235 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -17.469 9.026 -36.398 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -17.192 9.897 -34.871 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -18.209 6.479 -31.583 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -19.537 6.491 -32.768 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -17.968 5.768 -33.197 1.00 0.00 H new ATOM 561 N VAL A 40 -20.156 9.851 -36.905 1.00 0.00 N ATOM 562 CA VAL A 40 -20.539 9.901 -38.338 1.00 0.00 C ATOM 563 C VAL A 40 -19.706 10.954 -39.060 1.00 0.00 C ATOM 564 O VAL A 40 -19.138 11.823 -38.429 1.00 0.00 O ATOM 565 CB VAL A 40 -22.024 10.291 -38.430 1.00 0.00 C ATOM 566 CG1 VAL A 40 -22.557 9.931 -39.819 1.00 0.00 C ATOM 567 CG2 VAL A 40 -22.815 9.517 -37.372 1.00 0.00 C ATOM 0 H VAL A 40 -19.969 10.757 -36.475 1.00 0.00 H new ATOM 0 HA VAL A 40 -20.367 8.929 -38.799 1.00 0.00 H new ATOM 0 HB VAL A 40 -22.132 11.362 -38.261 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -23.609 10.206 -39.887 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -21.991 10.471 -40.577 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -22.451 8.859 -39.983 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -23.868 9.790 -37.433 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -22.707 8.447 -37.548 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -22.434 9.762 -36.381 1.00 0.00 H new ATOM 577 N PHE A 41 -19.648 10.860 -40.370 1.00 0.00 N ATOM 578 CA PHE A 41 -18.840 11.848 -41.146 1.00 0.00 C ATOM 579 C PHE A 41 -19.720 12.750 -41.997 1.00 0.00 C ATOM 580 O PHE A 41 -20.549 12.286 -42.753 1.00 0.00 O ATOM 581 CB PHE A 41 -17.889 11.075 -42.067 1.00 0.00 C ATOM 582 CG PHE A 41 -16.669 10.633 -41.260 1.00 0.00 C ATOM 583 CD1 PHE A 41 -16.731 9.514 -40.452 1.00 0.00 C ATOM 584 CD2 PHE A 41 -15.486 11.346 -41.325 1.00 0.00 C ATOM 585 CE1 PHE A 41 -15.631 9.116 -39.722 1.00 0.00 C ATOM 586 CE2 PHE A 41 -14.388 10.945 -40.594 1.00 0.00 C ATOM 587 CZ PHE A 41 -14.461 9.831 -39.794 1.00 0.00 C ATOM 0 H PHE A 41 -20.121 10.148 -40.927 1.00 0.00 H new ATOM 0 HA PHE A 41 -18.292 12.476 -40.443 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -18.396 10.207 -42.490 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -17.581 11.703 -42.903 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -17.648 8.947 -40.392 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -15.422 12.223 -41.952 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -15.690 8.240 -39.093 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -13.468 11.508 -40.651 1.00 0.00 H new ATOM 0 HZ PHE A 41 -13.600 9.518 -39.223 1.00 0.00 H new ATOM 597 N ASP A 42 -19.522 14.035 -41.853 1.00 0.00 N ATOM 598 CA ASP A 42 -20.322 14.989 -42.651 1.00 0.00 C ATOM 599 C ASP A 42 -19.924 14.903 -44.119 1.00 0.00 C ATOM 600 O ASP A 42 -18.833 15.287 -44.493 1.00 0.00 O ATOM 601 CB ASP A 42 -20.034 16.410 -42.142 1.00 0.00 C ATOM 602 CG ASP A 42 -21.015 17.390 -42.792 1.00 0.00 C ATOM 603 OD1 ASP A 42 -21.866 16.904 -43.517 1.00 0.00 O ATOM 604 OD2 ASP A 42 -20.857 18.570 -42.525 1.00 0.00 O ATOM 0 H ASP A 42 -18.843 14.456 -41.219 1.00 0.00 H new ATOM 0 HA ASP A 42 -21.381 14.750 -42.552 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -20.131 16.446 -41.057 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -19.009 16.693 -42.380 1.00 0.00 H new ATOM 609 N GLU A 43 -20.813 14.403 -44.925 1.00 0.00 N ATOM 610 CA GLU A 43 -20.494 14.271 -46.373 1.00 0.00 C ATOM 611 C GLU A 43 -20.426 15.643 -47.062 1.00 0.00 C ATOM 612 O GLU A 43 -20.613 15.745 -48.260 1.00 0.00 O ATOM 613 CB GLU A 43 -21.601 13.417 -47.045 1.00 0.00 C ATOM 614 CG GLU A 43 -22.708 13.112 -46.030 1.00 0.00 C ATOM 615 CD GLU A 43 -23.812 12.303 -46.715 1.00 0.00 C ATOM 616 OE1 GLU A 43 -23.461 11.565 -47.620 1.00 0.00 O ATOM 617 OE2 GLU A 43 -24.945 12.469 -46.294 1.00 0.00 O ATOM 0 H GLU A 43 -21.741 14.082 -44.649 1.00 0.00 H new ATOM 0 HA GLU A 43 -19.518 13.795 -46.474 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -22.016 13.950 -47.900 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -21.176 12.488 -47.424 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -22.301 12.553 -45.187 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -23.116 14.040 -45.630 1.00 0.00 H new ATOM 624 N ASP A 44 -20.137 16.671 -46.291 1.00 0.00 N ATOM 625 CA ASP A 44 -20.057 18.041 -46.881 1.00 0.00 C ATOM 626 C ASP A 44 -18.624 18.573 -46.870 1.00 0.00 C ATOM 627 O ASP A 44 -18.322 19.541 -47.540 1.00 0.00 O ATOM 628 CB ASP A 44 -20.934 18.977 -46.037 1.00 0.00 C ATOM 629 CG ASP A 44 -22.405 18.724 -46.371 1.00 0.00 C ATOM 630 OD1 ASP A 44 -22.750 18.970 -47.516 1.00 0.00 O ATOM 631 OD2 ASP A 44 -23.101 18.300 -45.464 1.00 0.00 O ATOM 0 H ASP A 44 -19.956 16.617 -45.289 1.00 0.00 H new ATOM 0 HA ASP A 44 -20.397 17.997 -47.916 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -20.755 18.804 -44.976 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -20.676 20.017 -46.239 1.00 0.00 H new ATOM 636 N GLU A 45 -17.769 17.934 -46.103 1.00 0.00 N ATOM 637 CA GLU A 45 -16.360 18.385 -46.037 1.00 0.00 C ATOM 638 C GLU A 45 -15.405 17.206 -46.161 1.00 0.00 C ATOM 639 O GLU A 45 -14.237 17.307 -45.842 1.00 0.00 O ATOM 640 CB GLU A 45 -16.152 19.058 -44.679 1.00 0.00 C ATOM 641 CG GLU A 45 -16.994 20.342 -44.609 1.00 0.00 C ATOM 642 CD GLU A 45 -16.167 21.457 -43.964 1.00 0.00 C ATOM 643 OE1 GLU A 45 -15.348 22.008 -44.682 1.00 0.00 O ATOM 644 OE2 GLU A 45 -16.402 21.695 -42.792 1.00 0.00 O ATOM 0 H GLU A 45 -17.995 17.124 -45.526 1.00 0.00 H new ATOM 0 HA GLU A 45 -16.157 19.073 -46.857 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -16.439 18.378 -43.877 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -15.097 19.294 -44.536 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -17.308 20.639 -45.610 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -17.900 20.165 -44.030 1.00 0.00 H new ATOM 651 N VAL A 46 -15.924 16.112 -46.628 1.00 0.00 N ATOM 652 CA VAL A 46 -15.078 14.906 -46.807 1.00 0.00 C ATOM 653 C VAL A 46 -14.575 14.867 -48.279 1.00 0.00 C ATOM 654 O VAL A 46 -15.302 15.251 -49.174 1.00 0.00 O ATOM 655 CB VAL A 46 -15.985 13.671 -46.502 1.00 0.00 C ATOM 656 CG1 VAL A 46 -15.884 12.610 -47.616 1.00 0.00 C ATOM 657 CG2 VAL A 46 -15.556 13.044 -45.173 1.00 0.00 C ATOM 0 H VAL A 46 -16.902 16.000 -46.895 1.00 0.00 H new ATOM 0 HA VAL A 46 -14.211 14.909 -46.147 1.00 0.00 H new ATOM 0 HB VAL A 46 -17.018 14.014 -46.447 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -16.527 11.764 -47.372 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -16.201 13.046 -48.563 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -14.852 12.269 -47.701 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -16.187 12.182 -44.957 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -14.516 12.725 -45.240 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -15.659 13.778 -44.374 1.00 0.00 H new ATOM 667 N PRO A 47 -13.342 14.404 -48.517 1.00 0.00 N ATOM 668 CA PRO A 47 -12.809 14.359 -49.881 1.00 0.00 C ATOM 669 C PRO A 47 -13.777 13.686 -50.853 1.00 0.00 C ATOM 670 O PRO A 47 -14.551 12.829 -50.474 1.00 0.00 O ATOM 671 CB PRO A 47 -11.511 13.531 -49.774 1.00 0.00 C ATOM 672 CG PRO A 47 -11.290 13.207 -48.266 1.00 0.00 C ATOM 673 CD PRO A 47 -12.431 13.882 -47.481 1.00 0.00 C ATOM 0 HA PRO A 47 -12.643 15.364 -50.268 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -11.592 12.613 -50.356 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -10.665 14.089 -50.175 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -11.294 12.130 -48.100 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -10.321 13.578 -47.931 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -12.938 13.170 -46.830 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -12.054 14.683 -46.845 1.00 0.00 H new ATOM 681 N ALA A 48 -13.711 14.095 -52.096 1.00 0.00 N ATOM 682 CA ALA A 48 -14.614 13.500 -53.113 1.00 0.00 C ATOM 683 C ALA A 48 -14.056 12.179 -53.625 1.00 0.00 C ATOM 684 O ALA A 48 -13.852 12.005 -54.809 1.00 0.00 O ATOM 685 CB ALA A 48 -14.725 14.478 -54.294 1.00 0.00 C ATOM 0 H ALA A 48 -13.073 14.811 -52.443 1.00 0.00 H new ATOM 0 HA ALA A 48 -15.588 13.317 -52.660 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -15.385 14.058 -55.053 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -15.132 15.427 -53.944 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -13.737 14.643 -54.724 1.00 0.00 H new ATOM 691 N GLY A 49 -13.820 11.273 -52.721 1.00 0.00 N ATOM 692 CA GLY A 49 -13.274 9.950 -53.132 1.00 0.00 C ATOM 693 C GLY A 49 -13.393 8.954 -51.981 1.00 0.00 C ATOM 694 O GLY A 49 -13.609 7.777 -52.192 1.00 0.00 O ATOM 0 H GLY A 49 -13.980 11.389 -51.720 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -13.815 9.579 -54.002 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -12.230 10.054 -53.427 1.00 0.00 H new ATOM 698 N VAL A 50 -13.249 9.450 -50.783 1.00 0.00 N ATOM 699 CA VAL A 50 -13.354 8.556 -49.606 1.00 0.00 C ATOM 700 C VAL A 50 -14.780 8.539 -49.071 1.00 0.00 C ATOM 701 O VAL A 50 -15.152 9.364 -48.260 1.00 0.00 O ATOM 702 CB VAL A 50 -12.417 9.090 -48.512 1.00 0.00 C ATOM 703 CG1 VAL A 50 -12.563 8.229 -47.256 1.00 0.00 C ATOM 704 CG2 VAL A 50 -10.974 9.010 -49.009 1.00 0.00 C ATOM 0 H VAL A 50 -13.064 10.431 -50.573 1.00 0.00 H new ATOM 0 HA VAL A 50 -13.078 7.542 -49.896 1.00 0.00 H new ATOM 0 HB VAL A 50 -12.673 10.124 -48.280 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -11.899 8.605 -46.478 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -13.594 8.270 -46.905 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -12.300 7.197 -47.489 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -10.302 9.387 -48.238 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -10.723 7.973 -49.233 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.866 9.612 -49.911 1.00 0.00 H new ATOM 714 N ASN A 51 -15.558 7.596 -49.536 1.00 0.00 N ATOM 715 CA ASN A 51 -16.963 7.516 -49.069 1.00 0.00 C ATOM 716 C ASN A 51 -17.041 7.690 -47.558 1.00 0.00 C ATOM 717 O ASN A 51 -16.187 7.224 -46.831 1.00 0.00 O ATOM 718 CB ASN A 51 -17.525 6.136 -49.444 1.00 0.00 C ATOM 719 CG ASN A 51 -18.108 6.194 -50.862 1.00 0.00 C ATOM 720 OD1 ASN A 51 -17.976 7.180 -51.560 1.00 0.00 O ATOM 721 ND2 ASN A 51 -18.762 5.161 -51.324 1.00 0.00 N ATOM 0 H ASN A 51 -15.279 6.886 -50.213 1.00 0.00 H new ATOM 0 HA ASN A 51 -17.541 8.311 -49.541 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -16.738 5.384 -49.393 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -18.296 5.839 -48.733 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -19.157 5.186 -52.264 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -18.877 4.330 -50.745 1.00 0.00 H new ATOM 728 N ALA A 52 -18.069 8.360 -47.117 1.00 0.00 N ATOM 729 CA ALA A 52 -18.224 8.591 -45.662 1.00 0.00 C ATOM 730 C ALA A 52 -19.144 7.550 -45.033 1.00 0.00 C ATOM 731 O ALA A 52 -19.290 7.495 -43.828 1.00 0.00 O ATOM 732 CB ALA A 52 -18.845 9.982 -45.469 1.00 0.00 C ATOM 0 H ALA A 52 -18.805 8.755 -47.703 1.00 0.00 H new ATOM 0 HA ALA A 52 -17.248 8.518 -45.182 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -18.971 10.180 -44.405 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -18.189 10.737 -45.903 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -19.816 10.018 -45.962 1.00 0.00 H new ATOM 738 N GLU A 53 -19.749 6.742 -45.861 1.00 0.00 N ATOM 739 CA GLU A 53 -20.667 5.704 -45.328 1.00 0.00 C ATOM 740 C GLU A 53 -19.893 4.505 -44.790 1.00 0.00 C ATOM 741 O GLU A 53 -20.402 3.742 -43.994 1.00 0.00 O ATOM 742 CB GLU A 53 -21.569 5.227 -46.477 1.00 0.00 C ATOM 743 CG GLU A 53 -22.951 5.861 -46.331 1.00 0.00 C ATOM 744 CD GLU A 53 -23.775 5.562 -47.583 1.00 0.00 C ATOM 745 OE1 GLU A 53 -23.893 4.386 -47.883 1.00 0.00 O ATOM 746 OE2 GLU A 53 -24.239 6.526 -48.168 1.00 0.00 O ATOM 0 H GLU A 53 -19.646 6.758 -46.876 1.00 0.00 H new ATOM 0 HA GLU A 53 -21.249 6.134 -44.513 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -21.130 5.501 -47.437 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -21.652 4.140 -46.463 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -23.454 5.467 -45.448 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -22.857 6.938 -46.191 1.00 0.00 H new ATOM 753 N LYS A 54 -18.675 4.359 -45.233 1.00 0.00 N ATOM 754 CA LYS A 54 -17.865 3.209 -44.762 1.00 0.00 C ATOM 755 C LYS A 54 -17.128 3.529 -43.464 1.00 0.00 C ATOM 756 O LYS A 54 -16.928 2.663 -42.638 1.00 0.00 O ATOM 757 CB LYS A 54 -16.828 2.879 -45.845 1.00 0.00 C ATOM 758 CG LYS A 54 -17.498 2.959 -47.216 1.00 0.00 C ATOM 759 CD LYS A 54 -16.972 1.837 -48.109 1.00 0.00 C ATOM 760 CE LYS A 54 -17.654 1.935 -49.472 1.00 0.00 C ATOM 761 NZ LYS A 54 -17.353 0.732 -50.293 1.00 0.00 N ATOM 0 H LYS A 54 -18.212 4.982 -45.895 1.00 0.00 H new ATOM 0 HA LYS A 54 -18.533 2.369 -44.574 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -15.993 3.578 -45.792 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -16.419 1.882 -45.683 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -18.580 2.876 -47.109 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -17.297 3.927 -47.675 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -15.891 1.919 -48.221 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -17.173 0.867 -47.655 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -18.732 2.032 -49.340 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -17.315 2.831 -49.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -17.824 0.815 -51.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -16.325 0.656 -50.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -17.698 -0.118 -49.803 1.00 0.00 H new ATOM 775 N ILE A 55 -16.736 4.766 -43.302 1.00 0.00 N ATOM 776 CA ILE A 55 -15.998 5.134 -42.062 1.00 0.00 C ATOM 777 C ILE A 55 -16.949 5.620 -40.964 1.00 0.00 C ATOM 778 O ILE A 55 -16.542 5.820 -39.838 1.00 0.00 O ATOM 779 CB ILE A 55 -15.008 6.258 -42.398 1.00 0.00 C ATOM 780 CG1 ILE A 55 -15.598 7.162 -43.480 1.00 0.00 C ATOM 781 CG2 ILE A 55 -13.709 5.622 -42.939 1.00 0.00 C ATOM 782 CD1 ILE A 55 -14.820 8.486 -43.533 1.00 0.00 C ATOM 0 H ILE A 55 -16.893 5.526 -43.965 1.00 0.00 H new ATOM 0 HA ILE A 55 -15.478 4.250 -41.693 1.00 0.00 H new ATOM 0 HB ILE A 55 -14.806 6.847 -41.503 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -15.552 6.664 -44.448 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -16.650 7.356 -43.271 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -12.994 6.407 -43.183 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -13.282 4.965 -42.181 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -13.933 5.044 -43.835 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -15.245 9.127 -44.306 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -14.889 8.987 -42.568 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -13.774 8.284 -43.763 1.00 0.00 H new ATOM 794 N SER A 56 -18.197 5.799 -41.309 1.00 0.00 N ATOM 795 CA SER A 56 -19.173 6.267 -40.293 1.00 0.00 C ATOM 796 C SER A 56 -19.644 5.114 -39.408 1.00 0.00 C ATOM 797 O SER A 56 -19.276 3.975 -39.619 1.00 0.00 O ATOM 798 CB SER A 56 -20.386 6.861 -41.028 1.00 0.00 C ATOM 799 OG SER A 56 -20.004 8.203 -41.296 1.00 0.00 O ATOM 0 H SER A 56 -18.576 5.642 -42.243 1.00 0.00 H new ATOM 0 HA SER A 56 -18.694 7.012 -39.658 1.00 0.00 H new ATOM 0 HB2 SER A 56 -20.601 6.316 -41.947 1.00 0.00 H new ATOM 0 HB3 SER A 56 -21.285 6.817 -40.414 1.00 0.00 H new ATOM 0 HG SER A 56 -19.673 8.271 -42.216 1.00 0.00 H new ATOM 805 N GLN A 57 -20.449 5.439 -38.427 1.00 0.00 N ATOM 806 CA GLN A 57 -20.962 4.389 -37.506 1.00 0.00 C ATOM 807 C GLN A 57 -22.443 4.634 -37.175 1.00 0.00 C ATOM 808 O GLN A 57 -22.773 5.047 -36.081 1.00 0.00 O ATOM 809 CB GLN A 57 -20.156 4.466 -36.195 1.00 0.00 C ATOM 810 CG GLN A 57 -18.743 3.915 -36.430 1.00 0.00 C ATOM 811 CD GLN A 57 -18.018 3.785 -35.085 1.00 0.00 C ATOM 812 OE1 GLN A 57 -18.588 4.012 -34.037 1.00 0.00 O ATOM 813 NE2 GLN A 57 -16.761 3.420 -35.071 1.00 0.00 N ATOM 0 H GLN A 57 -20.771 6.386 -38.228 1.00 0.00 H new ATOM 0 HA GLN A 57 -20.860 3.414 -37.982 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -20.102 5.498 -35.849 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -20.656 3.893 -35.414 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -18.796 2.944 -36.922 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -18.187 4.578 -37.093 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -16.276 3.228 -35.947 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -16.267 3.328 -34.184 1.00 0.00 H new ATOM 822 N PRO A 58 -23.314 4.371 -38.138 1.00 0.00 N ATOM 823 CA PRO A 58 -24.749 4.579 -37.947 1.00 0.00 C ATOM 824 C PRO A 58 -25.303 3.695 -36.833 1.00 0.00 C ATOM 825 O PRO A 58 -26.467 3.780 -36.493 1.00 0.00 O ATOM 826 CB PRO A 58 -25.392 4.189 -39.297 1.00 0.00 C ATOM 827 CG PRO A 58 -24.231 3.822 -40.274 1.00 0.00 C ATOM 828 CD PRO A 58 -22.925 3.855 -39.462 1.00 0.00 C ATOM 0 HA PRO A 58 -24.963 5.608 -37.657 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -26.069 3.345 -39.170 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -25.982 5.015 -39.694 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -24.390 2.834 -40.707 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -24.187 4.529 -41.102 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -22.483 2.862 -39.384 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -22.183 4.498 -39.934 1.00 0.00 H new ATOM 836 N GLU A 59 -24.456 2.860 -36.287 1.00 0.00 N ATOM 837 CA GLU A 59 -24.909 1.964 -35.189 1.00 0.00 C ATOM 838 C GLU A 59 -24.486 2.514 -33.830 1.00 0.00 C ATOM 839 O GLU A 59 -23.319 2.508 -33.493 1.00 0.00 O ATOM 840 CB GLU A 59 -24.256 0.589 -35.387 1.00 0.00 C ATOM 841 CG GLU A 59 -25.188 -0.294 -36.219 1.00 0.00 C ATOM 842 CD GLU A 59 -24.547 -1.670 -36.406 1.00 0.00 C ATOM 843 OE1 GLU A 59 -23.690 -1.754 -37.270 1.00 0.00 O ATOM 844 OE2 GLU A 59 -24.950 -2.559 -35.675 1.00 0.00 O ATOM 0 H GLU A 59 -23.477 2.762 -36.554 1.00 0.00 H new ATOM 0 HA GLU A 59 -25.996 1.892 -35.215 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -23.295 0.698 -35.889 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -24.060 0.123 -34.421 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -26.153 -0.394 -35.722 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -25.375 0.167 -37.189 1.00 0.00 H new ATOM 851 N TYR A 60 -25.444 2.982 -33.074 1.00 0.00 N ATOM 852 CA TYR A 60 -25.116 3.529 -31.738 1.00 0.00 C ATOM 853 C TYR A 60 -24.342 2.508 -30.911 1.00 0.00 C ATOM 854 O TYR A 60 -24.185 1.372 -31.315 1.00 0.00 O ATOM 855 CB TYR A 60 -26.432 3.852 -31.016 1.00 0.00 C ATOM 856 CG TYR A 60 -27.322 4.696 -31.933 1.00 0.00 C ATOM 857 CD1 TYR A 60 -27.217 6.073 -31.938 1.00 0.00 C ATOM 858 CD2 TYR A 60 -28.240 4.093 -32.767 1.00 0.00 C ATOM 859 CE1 TYR A 60 -28.020 6.834 -32.765 1.00 0.00 C ATOM 860 CE2 TYR A 60 -29.043 4.853 -33.593 1.00 0.00 C ATOM 861 CZ TYR A 60 -28.939 6.229 -33.599 1.00 0.00 C ATOM 862 OH TYR A 60 -29.741 6.989 -34.426 1.00 0.00 O ATOM 0 H TYR A 60 -26.432 3.007 -33.327 1.00 0.00 H new ATOM 0 HA TYR A 60 -24.501 4.421 -31.857 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -26.945 2.930 -30.741 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -26.229 4.392 -30.091 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -26.502 6.558 -31.291 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -28.331 3.017 -32.774 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -27.928 7.910 -32.759 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -29.758 4.367 -34.240 1.00 0.00 H new ATOM 0 HH TYR A 60 -30.328 6.400 -34.944 1.00 0.00 H new ATOM 872 N LEU A 61 -23.871 2.927 -29.765 1.00 0.00 N ATOM 873 CA LEU A 61 -23.109 1.987 -28.905 1.00 0.00 C ATOM 874 C LEU A 61 -23.200 2.391 -27.436 1.00 0.00 C ATOM 875 O LEU A 61 -22.997 3.537 -27.094 1.00 0.00 O ATOM 876 CB LEU A 61 -21.632 2.006 -29.346 1.00 0.00 C ATOM 877 CG LEU A 61 -21.046 3.407 -29.150 1.00 0.00 C ATOM 878 CD1 LEU A 61 -20.139 3.401 -27.917 1.00 0.00 C ATOM 879 CD2 LEU A 61 -20.216 3.780 -30.380 1.00 0.00 C ATOM 0 H LEU A 61 -23.982 3.871 -29.394 1.00 0.00 H new ATOM 0 HA LEU A 61 -23.532 0.988 -29.012 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -21.061 1.280 -28.767 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -21.552 1.713 -30.393 1.00 0.00 H new ATOM 0 HG LEU A 61 -21.851 4.129 -29.015 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -19.718 4.395 -27.770 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -20.721 3.120 -27.039 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -19.332 2.683 -28.062 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -19.796 4.777 -30.247 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -19.408 3.059 -30.506 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -20.852 3.770 -31.265 1.00 0.00 H new ATOM 891 N ASN A 62 -23.512 1.428 -26.596 1.00 0.00 N ATOM 892 CA ASN A 62 -23.630 1.716 -25.136 1.00 0.00 C ATOM 893 C ASN A 62 -22.777 0.748 -24.324 1.00 0.00 C ATOM 894 O ASN A 62 -23.152 0.350 -23.240 1.00 0.00 O ATOM 895 CB ASN A 62 -25.101 1.528 -24.723 1.00 0.00 C ATOM 896 CG ASN A 62 -25.605 0.182 -25.247 1.00 0.00 C ATOM 897 OD1 ASN A 62 -25.595 -0.813 -24.548 1.00 0.00 O ATOM 898 ND2 ASN A 62 -26.054 0.106 -26.469 1.00 0.00 N ATOM 0 H ASN A 62 -23.689 0.459 -26.862 1.00 0.00 H new ATOM 0 HA ASN A 62 -23.290 2.734 -24.946 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -25.194 1.567 -23.638 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -25.710 2.338 -25.124 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -26.394 -0.784 -26.833 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -26.065 0.937 -27.061 1.00 0.00 H new ATOM 905 N GLY A 63 -21.642 0.388 -24.865 1.00 0.00 N ATOM 906 CA GLY A 63 -20.751 -0.564 -24.137 1.00 0.00 C ATOM 907 C GLY A 63 -19.624 0.186 -23.426 1.00 0.00 C ATOM 908 O GLY A 63 -18.913 0.966 -24.031 1.00 0.00 O ATOM 0 H GLY A 63 -21.296 0.708 -25.770 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -21.333 -1.131 -23.410 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -20.329 -1.284 -24.838 1.00 0.00 H new ATOM 912 N ALA A 64 -19.483 -0.068 -22.154 1.00 0.00 N ATOM 913 CA ALA A 64 -18.412 0.613 -21.388 1.00 0.00 C ATOM 914 C ALA A 64 -17.046 0.049 -21.756 1.00 0.00 C ATOM 915 O ALA A 64 -16.786 -1.125 -21.570 1.00 0.00 O ATOM 916 CB ALA A 64 -18.661 0.372 -19.892 1.00 0.00 C ATOM 0 H ALA A 64 -20.062 -0.715 -21.618 1.00 0.00 H new ATOM 0 HA ALA A 64 -18.425 1.678 -21.621 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -17.883 0.865 -19.310 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -19.634 0.778 -19.615 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -18.643 -0.699 -19.688 1.00 0.00 H new ATOM 922 N GLY A 65 -16.195 0.893 -22.271 1.00 0.00 N ATOM 923 CA GLY A 65 -14.840 0.417 -22.662 1.00 0.00 C ATOM 924 C GLY A 65 -14.826 -0.017 -24.132 1.00 0.00 C ATOM 925 O GLY A 65 -13.778 -0.213 -24.712 1.00 0.00 O ATOM 0 H GLY A 65 -16.377 1.883 -22.437 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -14.110 1.211 -22.504 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -14.545 -0.418 -22.027 1.00 0.00 H new ATOM 929 N GLU A 66 -15.994 -0.162 -24.703 1.00 0.00 N ATOM 930 CA GLU A 66 -16.055 -0.577 -26.128 1.00 0.00 C ATOM 931 C GLU A 66 -15.230 0.363 -26.997 1.00 0.00 C ATOM 932 O GLU A 66 -15.065 1.523 -26.674 1.00 0.00 O ATOM 933 CB GLU A 66 -17.517 -0.523 -26.592 1.00 0.00 C ATOM 934 CG GLU A 66 -17.707 -1.506 -27.745 1.00 0.00 C ATOM 935 CD GLU A 66 -18.075 -2.878 -27.178 1.00 0.00 C ATOM 936 OE1 GLU A 66 -19.167 -2.967 -26.641 1.00 0.00 O ATOM 937 OE2 GLU A 66 -17.243 -3.759 -27.311 1.00 0.00 O ATOM 0 H GLU A 66 -16.895 -0.012 -24.248 1.00 0.00 H new ATOM 0 HA GLU A 66 -15.654 -1.586 -26.222 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -18.184 -0.776 -25.768 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -17.774 0.487 -26.912 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -18.492 -1.153 -28.414 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -16.793 -1.576 -28.334 1.00 0.00 H new ATOM 944 N THR A 67 -14.724 -0.152 -28.087 1.00 0.00 N ATOM 945 CA THR A 67 -13.900 0.701 -28.983 1.00 0.00 C ATOM 946 C THR A 67 -14.100 0.318 -30.449 1.00 0.00 C ATOM 947 O THR A 67 -14.627 -0.736 -30.751 1.00 0.00 O ATOM 948 CB THR A 67 -12.421 0.488 -28.627 1.00 0.00 C ATOM 949 OG1 THR A 67 -12.038 -0.687 -29.315 1.00 0.00 O ATOM 950 CG2 THR A 67 -12.257 0.136 -27.141 1.00 0.00 C ATOM 0 H THR A 67 -14.846 -1.118 -28.391 1.00 0.00 H new ATOM 0 HA THR A 67 -14.200 1.740 -28.848 1.00 0.00 H new ATOM 0 HB THR A 67 -11.851 1.385 -28.870 1.00 0.00 H new ATOM 0 HG1 THR A 67 -11.095 -0.881 -29.131 1.00 0.00 H new ATOM 0 HG21 THR A 67 -11.200 -0.010 -26.916 1.00 0.00 H new ATOM 0 HG22 THR A 67 -12.650 0.948 -26.529 1.00 0.00 H new ATOM 0 HG23 THR A 67 -12.804 -0.781 -26.922 1.00 0.00 H new ATOM 958 N TYR A 68 -13.676 1.190 -31.333 1.00 0.00 N ATOM 959 CA TYR A 68 -13.808 0.900 -32.786 1.00 0.00 C ATOM 960 C TYR A 68 -12.512 1.280 -33.479 1.00 0.00 C ATOM 961 O TYR A 68 -11.645 1.844 -32.856 1.00 0.00 O ATOM 962 CB TYR A 68 -14.951 1.743 -33.360 1.00 0.00 C ATOM 963 CG TYR A 68 -15.299 1.230 -34.761 1.00 0.00 C ATOM 964 CD1 TYR A 68 -16.153 0.155 -34.915 1.00 0.00 C ATOM 965 CD2 TYR A 68 -14.772 1.830 -35.888 1.00 0.00 C ATOM 966 CE1 TYR A 68 -16.476 -0.312 -36.172 1.00 0.00 C ATOM 967 CE2 TYR A 68 -15.098 1.360 -37.148 1.00 0.00 C ATOM 968 CZ TYR A 68 -15.951 0.287 -37.298 1.00 0.00 C ATOM 969 OH TYR A 68 -16.278 -0.178 -38.556 1.00 0.00 O ATOM 0 H TYR A 68 -13.246 2.087 -31.106 1.00 0.00 H new ATOM 0 HA TYR A 68 -14.017 -0.159 -32.941 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -15.824 1.684 -32.710 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -14.658 2.792 -33.406 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -16.572 -0.324 -34.043 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -14.102 2.671 -35.785 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -17.145 -1.153 -36.275 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -14.681 1.838 -38.022 1.00 0.00 H new ATOM 0 HH TYR A 68 -15.819 0.361 -39.234 1.00 0.00 H new ATOM 979 N GLU A 69 -12.395 0.968 -34.751 1.00 0.00 N ATOM 980 CA GLU A 69 -11.129 1.317 -35.474 1.00 0.00 C ATOM 981 C GLU A 69 -11.413 1.963 -36.817 1.00 0.00 C ATOM 982 O GLU A 69 -12.435 1.732 -37.421 1.00 0.00 O ATOM 983 CB GLU A 69 -10.326 0.033 -35.733 1.00 0.00 C ATOM 984 CG GLU A 69 -10.154 -0.754 -34.428 1.00 0.00 C ATOM 985 CD GLU A 69 -9.607 -2.147 -34.750 1.00 0.00 C ATOM 986 OE1 GLU A 69 -8.416 -2.216 -35.004 1.00 0.00 O ATOM 987 OE2 GLU A 69 -10.413 -3.063 -34.726 1.00 0.00 O ATOM 0 H GLU A 69 -13.106 0.496 -35.310 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.574 2.018 -34.851 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.838 -0.582 -36.473 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.349 0.283 -36.147 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.473 -0.228 -33.759 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -11.109 -0.836 -33.910 1.00 0.00 H new ATOM 994 N VAL A 70 -10.476 2.748 -37.260 1.00 0.00 N ATOM 995 CA VAL A 70 -10.626 3.434 -38.555 1.00 0.00 C ATOM 996 C VAL A 70 -9.243 3.782 -39.080 1.00 0.00 C ATOM 997 O VAL A 70 -8.408 4.260 -38.337 1.00 0.00 O ATOM 998 CB VAL A 70 -11.453 4.734 -38.330 1.00 0.00 C ATOM 999 CG1 VAL A 70 -10.881 5.887 -39.157 1.00 0.00 C ATOM 1000 CG2 VAL A 70 -12.901 4.495 -38.769 1.00 0.00 C ATOM 0 H VAL A 70 -9.603 2.942 -36.769 1.00 0.00 H new ATOM 0 HA VAL A 70 -11.138 2.797 -39.277 1.00 0.00 H new ATOM 0 HB VAL A 70 -11.409 4.992 -37.272 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -11.473 6.786 -38.986 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.848 6.070 -38.860 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -10.914 5.627 -40.215 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -13.483 5.403 -38.613 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -12.922 4.228 -39.826 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -13.330 3.683 -38.181 1.00 0.00 H new ATOM 1010 N THR A 71 -9.019 3.535 -40.341 1.00 0.00 N ATOM 1011 CA THR A 71 -7.685 3.839 -40.919 1.00 0.00 C ATOM 1012 C THR A 71 -7.819 4.586 -42.235 1.00 0.00 C ATOM 1013 O THR A 71 -8.009 3.990 -43.277 1.00 0.00 O ATOM 1014 CB THR A 71 -6.966 2.510 -41.167 1.00 0.00 C ATOM 1015 OG1 THR A 71 -6.984 1.841 -39.922 1.00 0.00 O ATOM 1016 CG2 THR A 71 -5.470 2.726 -41.464 1.00 0.00 C ATOM 0 H THR A 71 -9.698 3.139 -40.990 1.00 0.00 H new ATOM 0 HA THR A 71 -7.125 4.468 -40.227 1.00 0.00 H new ATOM 0 HB THR A 71 -7.443 1.988 -41.996 1.00 0.00 H new ATOM 0 HG1 THR A 71 -6.537 0.973 -40.010 1.00 0.00 H new ATOM 0 HG21 THR A 71 -4.990 1.762 -41.635 1.00 0.00 H new ATOM 0 HG22 THR A 71 -5.362 3.348 -42.352 1.00 0.00 H new ATOM 0 HG23 THR A 71 -4.998 3.221 -40.615 1.00 0.00 H new ATOM 1024 N LEU A 72 -7.711 5.883 -42.163 1.00 0.00 N ATOM 1025 CA LEU A 72 -7.825 6.695 -43.394 1.00 0.00 C ATOM 1026 C LEU A 72 -6.515 6.656 -44.165 1.00 0.00 C ATOM 1027 O LEU A 72 -5.487 6.303 -43.621 1.00 0.00 O ATOM 1028 CB LEU A 72 -8.130 8.149 -42.988 1.00 0.00 C ATOM 1029 CG LEU A 72 -9.394 8.174 -42.096 1.00 0.00 C ATOM 1030 CD1 LEU A 72 -9.542 9.555 -41.460 1.00 0.00 C ATOM 1031 CD2 LEU A 72 -10.642 7.880 -42.941 1.00 0.00 C ATOM 0 H LEU A 72 -7.549 6.410 -41.305 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.620 6.299 -44.026 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.283 8.574 -42.450 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.285 8.762 -43.876 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.293 7.414 -41.321 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -10.432 9.573 -40.832 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.664 9.771 -40.851 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -9.635 10.308 -42.243 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.526 7.900 -42.304 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -10.740 8.635 -43.721 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -10.547 6.896 -43.399 1.00 0.00 H new ATOM 1043 N THR A 73 -6.565 7.015 -45.416 1.00 0.00 N ATOM 1044 CA THR A 73 -5.319 6.971 -46.223 1.00 0.00 C ATOM 1045 C THR A 73 -5.325 8.021 -47.343 1.00 0.00 C ATOM 1046 O THR A 73 -4.826 7.778 -48.425 1.00 0.00 O ATOM 1047 CB THR A 73 -5.216 5.562 -46.838 1.00 0.00 C ATOM 1048 OG1 THR A 73 -6.417 4.911 -46.474 1.00 0.00 O ATOM 1049 CG2 THR A 73 -4.118 4.747 -46.145 1.00 0.00 C ATOM 0 H THR A 73 -7.401 7.332 -45.907 1.00 0.00 H new ATOM 0 HA THR A 73 -4.467 7.192 -45.580 1.00 0.00 H new ATOM 0 HB THR A 73 -5.023 5.637 -47.908 1.00 0.00 H new ATOM 0 HG1 THR A 73 -6.419 4.001 -46.838 1.00 0.00 H new ATOM 0 HG21 THR A 73 -4.062 3.756 -46.595 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.160 5.253 -46.263 1.00 0.00 H new ATOM 0 HG23 THR A 73 -4.350 4.652 -45.084 1.00 0.00 H new ATOM 1057 N GLU A 74 -5.879 9.177 -47.060 1.00 0.00 N ATOM 1058 CA GLU A 74 -5.912 10.241 -48.104 1.00 0.00 C ATOM 1059 C GLU A 74 -5.526 11.591 -47.514 1.00 0.00 C ATOM 1060 O GLU A 74 -6.304 12.214 -46.822 1.00 0.00 O ATOM 1061 CB GLU A 74 -7.342 10.320 -48.662 1.00 0.00 C ATOM 1062 CG GLU A 74 -7.352 9.781 -50.094 1.00 0.00 C ATOM 1063 CD GLU A 74 -6.583 10.741 -51.002 1.00 0.00 C ATOM 1064 OE1 GLU A 74 -6.873 11.922 -50.909 1.00 0.00 O ATOM 1065 OE2 GLU A 74 -5.749 10.240 -51.738 1.00 0.00 O ATOM 0 H GLU A 74 -6.302 9.424 -46.165 1.00 0.00 H new ATOM 0 HA GLU A 74 -5.200 9.997 -48.892 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -8.022 9.740 -48.037 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -7.695 11.351 -48.646 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -6.898 8.791 -50.125 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -8.378 9.672 -50.446 1.00 0.00 H new ATOM 1072 N LYS A 75 -4.322 12.024 -47.801 1.00 0.00 N ATOM 1073 CA LYS A 75 -3.875 13.328 -47.253 1.00 0.00 C ATOM 1074 C LYS A 75 -4.940 14.393 -47.457 1.00 0.00 C ATOM 1075 O LYS A 75 -5.187 14.832 -48.560 1.00 0.00 O ATOM 1076 CB LYS A 75 -2.563 13.771 -47.959 1.00 0.00 C ATOM 1077 CG LYS A 75 -2.665 13.564 -49.479 1.00 0.00 C ATOM 1078 CD LYS A 75 -1.279 13.770 -50.094 1.00 0.00 C ATOM 1079 CE LYS A 75 -1.384 13.696 -51.619 1.00 0.00 C ATOM 1080 NZ LYS A 75 -0.117 13.170 -52.203 1.00 0.00 N ATOM 0 H LYS A 75 -3.643 11.534 -48.383 1.00 0.00 H new ATOM 0 HA LYS A 75 -3.699 13.209 -46.184 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -2.365 14.821 -47.743 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.722 13.200 -47.565 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -3.032 12.562 -49.700 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.378 14.267 -49.910 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -0.875 14.737 -49.793 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.590 13.009 -49.728 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -2.217 13.052 -51.902 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.595 14.686 -52.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.204 13.126 -53.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.670 13.800 -51.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.068 12.217 -51.830 1.00 0.00 H new ATOM 1094 N GLY A 76 -5.557 14.792 -46.379 1.00 0.00 N ATOM 1095 CA GLY A 76 -6.622 15.827 -46.488 1.00 0.00 C ATOM 1096 C GLY A 76 -7.279 16.049 -45.128 1.00 0.00 C ATOM 1097 O GLY A 76 -6.618 16.015 -44.111 1.00 0.00 O ATOM 0 H GLY A 76 -5.372 14.450 -45.436 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -6.195 16.762 -46.851 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -7.371 15.514 -47.216 1.00 0.00 H new ATOM 1101 N THR A 77 -8.570 16.264 -45.138 1.00 0.00 N ATOM 1102 CA THR A 77 -9.279 16.493 -43.853 1.00 0.00 C ATOM 1103 C THR A 77 -10.665 15.865 -43.869 1.00 0.00 C ATOM 1104 O THR A 77 -11.366 15.921 -44.862 1.00 0.00 O ATOM 1105 CB THR A 77 -9.428 18.003 -43.645 1.00 0.00 C ATOM 1106 OG1 THR A 77 -8.890 18.597 -44.808 1.00 0.00 O ATOM 1107 CG2 THR A 77 -8.518 18.487 -42.506 1.00 0.00 C ATOM 0 H THR A 77 -9.155 16.290 -45.973 1.00 0.00 H new ATOM 0 HA THR A 77 -8.702 16.037 -43.048 1.00 0.00 H new ATOM 0 HB THR A 77 -10.469 18.246 -43.433 1.00 0.00 H new ATOM 0 HG1 THR A 77 -8.957 19.572 -44.738 1.00 0.00 H new ATOM 0 HG21 THR A 77 -8.639 19.562 -42.375 1.00 0.00 H new ATOM 0 HG22 THR A 77 -8.789 17.976 -41.582 1.00 0.00 H new ATOM 0 HG23 THR A 77 -7.479 18.266 -42.752 1.00 0.00 H new ATOM 1115 N TYR A 78 -11.031 15.277 -42.758 1.00 0.00 N ATOM 1116 CA TYR A 78 -12.367 14.638 -42.654 1.00 0.00 C ATOM 1117 C TYR A 78 -13.070 15.136 -41.391 1.00 0.00 C ATOM 1118 O TYR A 78 -12.510 15.079 -40.312 1.00 0.00 O ATOM 1119 CB TYR A 78 -12.180 13.115 -42.523 1.00 0.00 C ATOM 1120 CG TYR A 78 -11.142 12.599 -43.534 1.00 0.00 C ATOM 1121 CD1 TYR A 78 -9.799 12.904 -43.395 1.00 0.00 C ATOM 1122 CD2 TYR A 78 -11.537 11.814 -44.597 1.00 0.00 C ATOM 1123 CE1 TYR A 78 -8.876 12.431 -44.303 1.00 0.00 C ATOM 1124 CE2 TYR A 78 -10.610 11.342 -45.502 1.00 0.00 C ATOM 1125 CZ TYR A 78 -9.272 11.647 -45.361 1.00 0.00 C ATOM 1126 OH TYR A 78 -8.344 11.170 -46.261 1.00 0.00 O ATOM 0 H TYR A 78 -10.456 15.215 -41.918 1.00 0.00 H new ATOM 0 HA TYR A 78 -12.957 14.883 -43.537 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -11.860 12.870 -41.510 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -13.133 12.612 -42.686 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -9.472 13.517 -42.569 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -12.581 11.567 -44.722 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -7.832 12.679 -44.182 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -10.934 10.728 -46.329 1.00 0.00 H new ATOM 0 HH TYR A 78 -7.483 11.613 -46.109 1.00 0.00 H new ATOM 1136 N LYS A 79 -14.278 15.624 -41.543 1.00 0.00 N ATOM 1137 CA LYS A 79 -15.021 16.135 -40.347 1.00 0.00 C ATOM 1138 C LYS A 79 -16.021 15.110 -39.812 1.00 0.00 C ATOM 1139 O LYS A 79 -16.904 14.673 -40.525 1.00 0.00 O ATOM 1140 CB LYS A 79 -15.806 17.404 -40.752 1.00 0.00 C ATOM 1141 CG LYS A 79 -14.882 18.631 -40.711 1.00 0.00 C ATOM 1142 CD LYS A 79 -13.766 18.474 -41.747 1.00 0.00 C ATOM 1143 CE LYS A 79 -13.026 19.806 -41.898 1.00 0.00 C ATOM 1144 NZ LYS A 79 -13.980 20.902 -42.225 1.00 0.00 N ATOM 0 H LYS A 79 -14.776 15.690 -42.430 1.00 0.00 H new ATOM 0 HA LYS A 79 -14.290 16.345 -39.567 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -16.218 17.282 -41.754 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -16.649 17.551 -40.077 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -15.455 19.536 -40.914 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -14.453 18.742 -39.715 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -13.073 17.693 -41.436 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -14.184 18.166 -42.705 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -12.497 20.041 -40.974 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -12.275 19.724 -42.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -13.694 21.357 -43.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -14.937 20.509 -42.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.976 21.606 -41.459 1.00 0.00 H new ATOM 1158 N PHE A 80 -15.853 14.742 -38.555 1.00 0.00 N ATOM 1159 CA PHE A 80 -16.803 13.779 -37.924 1.00 0.00 C ATOM 1160 C PHE A 80 -17.309 14.335 -36.599 1.00 0.00 C ATOM 1161 O PHE A 80 -16.759 15.277 -36.074 1.00 0.00 O ATOM 1162 CB PHE A 80 -16.092 12.434 -37.671 1.00 0.00 C ATOM 1163 CG PHE A 80 -14.630 12.669 -37.293 1.00 0.00 C ATOM 1164 CD1 PHE A 80 -13.724 13.104 -38.238 1.00 0.00 C ATOM 1165 CD2 PHE A 80 -14.194 12.446 -35.998 1.00 0.00 C ATOM 1166 CE1 PHE A 80 -12.404 13.311 -37.896 1.00 0.00 C ATOM 1167 CE2 PHE A 80 -12.873 12.655 -35.660 1.00 0.00 C ATOM 1168 CZ PHE A 80 -11.981 13.086 -36.609 1.00 0.00 C ATOM 0 H PHE A 80 -15.101 15.069 -37.949 1.00 0.00 H new ATOM 0 HA PHE A 80 -17.646 13.627 -38.597 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -16.598 11.892 -36.872 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -16.148 11.812 -38.564 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -14.050 13.284 -39.252 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -14.893 12.106 -35.248 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -11.701 13.651 -38.642 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -12.541 12.479 -34.648 1.00 0.00 H new ATOM 0 HZ PHE A 80 -10.947 13.248 -36.344 1.00 0.00 H new ATOM 1178 N TYR A 81 -18.349 13.743 -36.081 1.00 0.00 N ATOM 1179 CA TYR A 81 -18.912 14.257 -34.805 1.00 0.00 C ATOM 1180 C TYR A 81 -19.968 13.318 -34.231 1.00 0.00 C ATOM 1181 O TYR A 81 -20.246 12.272 -34.784 1.00 0.00 O ATOM 1182 CB TYR A 81 -19.582 15.608 -35.098 1.00 0.00 C ATOM 1183 CG TYR A 81 -20.692 15.407 -36.139 1.00 0.00 C ATOM 1184 CD1 TYR A 81 -20.386 15.314 -37.483 1.00 0.00 C ATOM 1185 CD2 TYR A 81 -22.013 15.312 -35.749 1.00 0.00 C ATOM 1186 CE1 TYR A 81 -21.384 15.131 -38.420 1.00 0.00 C ATOM 1187 CE2 TYR A 81 -23.011 15.130 -36.688 1.00 0.00 C ATOM 1188 CZ TYR A 81 -22.703 15.036 -38.029 1.00 0.00 C ATOM 1189 OH TYR A 81 -23.700 14.855 -38.967 1.00 0.00 O ATOM 0 H TYR A 81 -18.827 12.936 -36.481 1.00 0.00 H new ATOM 0 HA TYR A 81 -18.103 14.345 -34.079 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -19.998 16.027 -34.182 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -18.845 16.320 -35.468 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -19.357 15.385 -37.804 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -22.269 15.380 -34.702 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -21.129 15.062 -39.467 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -24.040 15.061 -36.369 1.00 0.00 H new ATOM 0 HH TYR A 81 -24.569 14.808 -38.516 1.00 0.00 H new ATOM 1199 N CYS A 82 -20.536 13.725 -33.118 1.00 0.00 N ATOM 1200 CA CYS A 82 -21.591 12.903 -32.472 1.00 0.00 C ATOM 1201 C CYS A 82 -22.964 13.554 -32.666 1.00 0.00 C ATOM 1202 O CYS A 82 -23.167 14.693 -32.297 1.00 0.00 O ATOM 1203 CB CYS A 82 -21.286 12.836 -30.971 1.00 0.00 C ATOM 1204 SG CYS A 82 -21.810 11.351 -30.079 1.00 0.00 S ATOM 0 H CYS A 82 -20.308 14.594 -32.635 1.00 0.00 H new ATOM 0 HA CYS A 82 -21.605 11.908 -32.916 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -20.209 12.944 -30.841 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -21.753 13.698 -30.494 1.00 0.00 H new ATOM 1209 N GLU A 83 -23.882 12.821 -33.240 1.00 0.00 N ATOM 1210 CA GLU A 83 -25.232 13.396 -33.472 1.00 0.00 C ATOM 1211 C GLU A 83 -26.020 13.636 -32.163 1.00 0.00 C ATOM 1212 O GLU A 83 -26.641 14.667 -32.004 1.00 0.00 O ATOM 1213 CB GLU A 83 -26.038 12.429 -34.358 1.00 0.00 C ATOM 1214 CG GLU A 83 -26.542 13.179 -35.596 1.00 0.00 C ATOM 1215 CD GLU A 83 -27.554 12.305 -36.339 1.00 0.00 C ATOM 1216 OE1 GLU A 83 -27.404 11.099 -36.239 1.00 0.00 O ATOM 1217 OE2 GLU A 83 -28.421 12.893 -36.964 1.00 0.00 O ATOM 0 H GLU A 83 -23.754 11.859 -33.554 1.00 0.00 H new ATOM 0 HA GLU A 83 -25.092 14.364 -33.953 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -25.415 11.586 -34.658 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -26.879 12.020 -33.798 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -27.005 14.121 -35.301 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -25.707 13.425 -36.251 1.00 0.00 H new ATOM 1224 N PRO A 84 -25.987 12.674 -31.242 1.00 0.00 N ATOM 1225 CA PRO A 84 -26.730 12.806 -29.987 1.00 0.00 C ATOM 1226 C PRO A 84 -26.156 13.898 -29.082 1.00 0.00 C ATOM 1227 O PRO A 84 -26.891 14.677 -28.508 1.00 0.00 O ATOM 1228 CB PRO A 84 -26.585 11.435 -29.293 1.00 0.00 C ATOM 1229 CG PRO A 84 -25.694 10.542 -30.209 1.00 0.00 C ATOM 1230 CD PRO A 84 -25.235 11.414 -31.389 1.00 0.00 C ATOM 0 HA PRO A 84 -27.765 13.087 -30.182 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -26.131 11.549 -28.309 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -27.562 10.976 -29.142 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -24.836 10.160 -29.656 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -26.254 9.677 -30.565 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -24.160 11.589 -31.356 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -25.451 10.934 -32.343 1.00 0.00 H new ATOM 1238 N HIS A 85 -24.856 13.939 -28.970 1.00 0.00 N ATOM 1239 CA HIS A 85 -24.234 14.965 -28.091 1.00 0.00 C ATOM 1240 C HIS A 85 -23.852 16.216 -28.875 1.00 0.00 C ATOM 1241 O HIS A 85 -23.027 16.994 -28.438 1.00 0.00 O ATOM 1242 CB HIS A 85 -22.964 14.366 -27.474 1.00 0.00 C ATOM 1243 CG HIS A 85 -23.346 13.167 -26.593 1.00 0.00 C ATOM 1244 ND1 HIS A 85 -22.790 11.935 -26.745 1.00 0.00 N ATOM 1245 CD2 HIS A 85 -24.262 13.125 -25.556 1.00 0.00 C ATOM 1246 CE1 HIS A 85 -23.404 11.240 -25.794 1.00 0.00 C ATOM 1247 NE2 HIS A 85 -24.233 11.945 -25.139 1.00 0.00 N ATOM 0 H HIS A 85 -24.205 13.313 -29.444 1.00 0.00 H new ATOM 0 HA HIS A 85 -24.955 15.249 -27.324 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -22.278 14.051 -28.260 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -22.445 15.118 -26.880 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -24.871 13.936 -25.186 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -23.219 10.194 -25.600 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -24.803 11.594 -24.370 1.00 0.00 H new ATOM 1255 N ALA A 86 -24.454 16.392 -30.017 1.00 0.00 N ATOM 1256 CA ALA A 86 -24.130 17.593 -30.825 1.00 0.00 C ATOM 1257 C ALA A 86 -24.659 18.854 -30.150 1.00 0.00 C ATOM 1258 O ALA A 86 -24.288 19.955 -30.508 1.00 0.00 O ATOM 1259 CB ALA A 86 -24.800 17.450 -32.199 1.00 0.00 C ATOM 0 H ALA A 86 -25.148 15.763 -30.420 1.00 0.00 H new ATOM 0 HA ALA A 86 -23.048 17.675 -30.925 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -24.572 18.325 -32.808 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -24.425 16.555 -32.695 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -25.879 17.368 -32.071 1.00 0.00 H new ATOM 1265 N GLY A 87 -25.516 18.670 -29.181 1.00 0.00 N ATOM 1266 CA GLY A 87 -26.085 19.851 -28.469 1.00 0.00 C ATOM 1267 C GLY A 87 -25.033 20.493 -27.559 1.00 0.00 C ATOM 1268 O GLY A 87 -25.138 21.651 -27.209 1.00 0.00 O ATOM 0 H GLY A 87 -25.844 17.761 -28.854 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -26.441 20.583 -29.194 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -26.947 19.544 -27.877 1.00 0.00 H new ATOM 1272 N ALA A 88 -24.040 19.728 -27.196 1.00 0.00 N ATOM 1273 CA ALA A 88 -22.984 20.279 -26.313 1.00 0.00 C ATOM 1274 C ALA A 88 -21.835 20.846 -27.136 1.00 0.00 C ATOM 1275 O ALA A 88 -21.235 21.836 -26.765 1.00 0.00 O ATOM 1276 CB ALA A 88 -22.445 19.142 -25.432 1.00 0.00 C ATOM 0 H ALA A 88 -23.918 18.754 -27.472 1.00 0.00 H new ATOM 0 HA ALA A 88 -23.409 21.078 -25.705 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -21.666 19.529 -24.775 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -23.256 18.732 -24.831 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -22.029 18.357 -26.064 1.00 0.00 H new ATOM 1282 N GLY A 89 -21.554 20.202 -28.242 1.00 0.00 N ATOM 1283 CA GLY A 89 -20.442 20.677 -29.122 1.00 0.00 C ATOM 1284 C GLY A 89 -19.439 19.549 -29.366 1.00 0.00 C ATOM 1285 O GLY A 89 -18.267 19.791 -29.576 1.00 0.00 O ATOM 0 H GLY A 89 -22.045 19.371 -28.572 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -20.845 21.026 -30.073 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -19.939 21.526 -28.658 1.00 0.00 H new ATOM 1289 N MET A 90 -19.919 18.335 -29.320 1.00 0.00 N ATOM 1290 CA MET A 90 -19.014 17.183 -29.553 1.00 0.00 C ATOM 1291 C MET A 90 -18.713 17.015 -31.046 1.00 0.00 C ATOM 1292 O MET A 90 -19.564 16.587 -31.800 1.00 0.00 O ATOM 1293 CB MET A 90 -19.729 15.913 -29.055 1.00 0.00 C ATOM 1294 CG MET A 90 -18.844 15.188 -28.042 1.00 0.00 C ATOM 1295 SD MET A 90 -19.393 13.555 -27.481 1.00 0.00 S ATOM 1296 CE MET A 90 -17.843 12.673 -27.759 1.00 0.00 C ATOM 0 H MET A 90 -20.893 18.096 -29.132 1.00 0.00 H new ATOM 0 HA MET A 90 -18.075 17.352 -29.025 1.00 0.00 H new ATOM 0 HB2 MET A 90 -20.682 16.177 -28.597 1.00 0.00 H new ATOM 0 HB3 MET A 90 -19.950 15.255 -29.896 1.00 0.00 H new ATOM 0 HG2 MET A 90 -17.851 15.079 -28.478 1.00 0.00 H new ATOM 0 HG3 MET A 90 -18.739 15.828 -27.166 1.00 0.00 H new ATOM 0 HE1 MET A 90 -17.787 11.815 -27.089 1.00 0.00 H new ATOM 0 HE2 MET A 90 -17.800 12.329 -28.792 1.00 0.00 H new ATOM 0 HE3 MET A 90 -17.004 13.341 -27.564 1.00 0.00 H new ATOM 1306 N LYS A 91 -17.504 17.361 -31.444 1.00 0.00 N ATOM 1307 CA LYS A 91 -17.129 17.207 -32.886 1.00 0.00 C ATOM 1308 C LYS A 91 -15.772 16.535 -33.021 1.00 0.00 C ATOM 1309 O LYS A 91 -15.097 16.305 -32.044 1.00 0.00 O ATOM 1310 CB LYS A 91 -17.068 18.594 -33.557 1.00 0.00 C ATOM 1311 CG LYS A 91 -16.851 19.675 -32.502 1.00 0.00 C ATOM 1312 CD LYS A 91 -16.658 21.022 -33.206 1.00 0.00 C ATOM 1313 CE LYS A 91 -16.524 22.127 -32.156 1.00 0.00 C ATOM 1314 NZ LYS A 91 -16.811 23.458 -32.760 1.00 0.00 N ATOM 0 H LYS A 91 -16.774 17.737 -30.839 1.00 0.00 H new ATOM 0 HA LYS A 91 -17.883 16.587 -33.371 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -16.259 18.619 -34.287 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -17.993 18.785 -34.101 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -17.706 19.721 -31.828 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -15.978 19.439 -31.894 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -15.768 20.992 -33.835 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -17.505 21.228 -33.861 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -17.212 21.939 -31.332 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -15.517 22.120 -31.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -16.716 24.197 -32.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -16.138 23.642 -33.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -17.780 23.466 -33.137 1.00 0.00 H new ATOM 1328 N GLY A 92 -15.389 16.239 -34.237 1.00 0.00 N ATOM 1329 CA GLY A 92 -14.079 15.551 -34.441 1.00 0.00 C ATOM 1330 C GLY A 92 -13.466 15.907 -35.805 1.00 0.00 C ATOM 1331 O GLY A 92 -14.175 16.168 -36.756 1.00 0.00 O ATOM 0 H GLY A 92 -15.918 16.440 -35.086 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -13.390 15.834 -33.645 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -14.218 14.472 -34.373 1.00 0.00 H new ATOM 1335 N GLU A 93 -12.150 15.910 -35.871 1.00 0.00 N ATOM 1336 CA GLU A 93 -11.485 16.234 -37.162 1.00 0.00 C ATOM 1337 C GLU A 93 -10.118 15.552 -37.266 1.00 0.00 C ATOM 1338 O GLU A 93 -9.400 15.460 -36.292 1.00 0.00 O ATOM 1339 CB GLU A 93 -11.282 17.752 -37.225 1.00 0.00 C ATOM 1340 CG GLU A 93 -11.360 18.203 -38.677 1.00 0.00 C ATOM 1341 CD GLU A 93 -11.124 19.712 -38.752 1.00 0.00 C ATOM 1342 OE1 GLU A 93 -12.100 20.422 -38.574 1.00 0.00 O ATOM 1343 OE2 GLU A 93 -9.981 20.070 -38.983 1.00 0.00 O ATOM 0 H GLU A 93 -11.523 15.704 -35.093 1.00 0.00 H new ATOM 0 HA GLU A 93 -12.110 15.880 -37.982 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -12.044 18.259 -36.632 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -10.315 18.021 -36.799 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -10.615 17.677 -39.274 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -12.336 17.955 -39.095 1.00 0.00 H new ATOM 1350 N VAL A 94 -9.783 15.078 -38.450 1.00 0.00 N ATOM 1351 CA VAL A 94 -8.454 14.413 -38.623 1.00 0.00 C ATOM 1352 C VAL A 94 -7.778 14.878 -39.905 1.00 0.00 C ATOM 1353 O VAL A 94 -8.355 14.822 -40.974 1.00 0.00 O ATOM 1354 CB VAL A 94 -8.666 12.885 -38.690 1.00 0.00 C ATOM 1355 CG1 VAL A 94 -9.481 12.542 -39.934 1.00 0.00 C ATOM 1356 CG2 VAL A 94 -7.303 12.178 -38.766 1.00 0.00 C ATOM 0 H VAL A 94 -10.364 15.124 -39.287 1.00 0.00 H new ATOM 0 HA VAL A 94 -7.817 14.676 -37.779 1.00 0.00 H new ATOM 0 HB VAL A 94 -9.198 12.554 -37.798 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -9.632 11.464 -39.984 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -10.448 13.042 -39.885 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -8.945 12.875 -40.823 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -7.455 11.100 -38.813 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -6.771 12.509 -39.658 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -6.716 12.423 -37.881 1.00 0.00 H new ATOM 1366 N THR A 95 -6.566 15.341 -39.768 1.00 0.00 N ATOM 1367 CA THR A 95 -5.819 15.814 -40.963 1.00 0.00 C ATOM 1368 C THR A 95 -4.770 14.789 -41.383 1.00 0.00 C ATOM 1369 O THR A 95 -3.699 14.731 -40.821 1.00 0.00 O ATOM 1370 CB THR A 95 -5.111 17.118 -40.594 1.00 0.00 C ATOM 1371 OG1 THR A 95 -6.134 17.993 -40.165 1.00 0.00 O ATOM 1372 CG2 THR A 95 -4.526 17.791 -41.840 1.00 0.00 C ATOM 0 H THR A 95 -6.064 15.411 -38.883 1.00 0.00 H new ATOM 0 HA THR A 95 -6.515 15.961 -41.789 1.00 0.00 H new ATOM 0 HB THR A 95 -4.327 16.918 -39.863 1.00 0.00 H new ATOM 0 HG1 THR A 95 -5.742 18.854 -39.910 1.00 0.00 H new ATOM 0 HG21 THR A 95 -4.027 18.717 -41.553 1.00 0.00 H new ATOM 0 HG22 THR A 95 -3.806 17.122 -42.311 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.328 18.014 -42.544 1.00 0.00 H new ATOM 1380 N VAL A 96 -5.082 14.008 -42.379 1.00 0.00 N ATOM 1381 CA VAL A 96 -4.103 12.980 -42.812 1.00 0.00 C ATOM 1382 C VAL A 96 -3.038 13.597 -43.707 1.00 0.00 C ATOM 1383 O VAL A 96 -3.274 14.601 -44.352 1.00 0.00 O ATOM 1384 CB VAL A 96 -4.841 11.877 -43.598 1.00 0.00 C ATOM 1385 CG1 VAL A 96 -3.861 10.736 -43.880 1.00 0.00 C ATOM 1386 CG2 VAL A 96 -6.010 11.328 -42.762 1.00 0.00 C ATOM 0 H VAL A 96 -5.957 14.037 -42.902 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.622 12.560 -41.928 1.00 0.00 H new ATOM 0 HB VAL A 96 -5.226 12.292 -44.529 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.370 9.948 -44.436 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -3.024 11.112 -44.468 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.490 10.333 -42.937 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -6.526 10.550 -43.325 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -5.627 10.910 -41.831 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -6.707 12.135 -42.537 1.00 0.00 H new ATOM 1396 N ASN A 97 -1.877 12.982 -43.723 1.00 0.00 N ATOM 1397 CA ASN A 97 -0.768 13.507 -44.566 1.00 0.00 C ATOM 1398 C ASN A 97 -0.139 12.389 -45.387 1.00 0.00 C ATOM 1399 O ASN A 97 -0.307 11.254 -44.972 1.00 0.00 O ATOM 1400 CB ASN A 97 0.306 14.096 -43.638 1.00 0.00 C ATOM 1401 CG ASN A 97 0.122 15.612 -43.550 1.00 0.00 C ATOM 1402 OD1 ASN A 97 0.006 16.294 -44.549 1.00 0.00 O ATOM 1403 ND2 ASN A 97 0.090 16.180 -42.375 1.00 0.00 N ATOM 1404 OXT ASN A 97 0.476 12.729 -46.384 1.00 0.00 O ATOM 0 H ASN A 97 -1.656 12.142 -43.188 1.00 0.00 H new ATOM 0 HA ASN A 97 -1.163 14.263 -45.245 1.00 0.00 H new ATOM 0 HB2 ASN A 97 0.230 13.651 -42.646 1.00 0.00 H new ATOM 0 HB3 ASN A 97 1.300 13.860 -44.018 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -0.032 17.190 -42.300 1.00 0.00 H new ATOM 0 HD22 ASN A 97 0.187 15.614 -41.532 1.00 0.00 H new TER 1411 ASN A 97 HETATM 1412 CU CU A 100 -21.254 11.161 -28.143 1.00 17.74 CU CONECT 517 1412 CONECT 1204 1412 CONECT 1244 1412 CONECT 1412 517 1204 1244 END