USER MOD reduce.3.24.130724 H: found=0, std=0, add=638, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER ELECTRON TRANSPORT 25-FEB-94 1CCH TITLE THE SOLUTION CONFORMATION OF CYTOCHROME C-551 FROM TITLE 2 P.STUTZERI ZOBELL DETERMINED BY NMR+ COMPND MOL_ID: 1; COMPND 2 MOLECULE: CYTOCHROME C551; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS STUTZERI; SOURCE 3 ORGANISM_TAXID: 316 KEYWDS ELECTRON TRANSPORT EXPDTA SOLUTION NMR AUTHOR M.CAI,R.TIMKOVICH REVDAT 2 24-FEB-09 1CCH 1 VERSN REVDAT 1 30-APR-94 1CCH 0 JRNL AUTH M.CAI,E.G.BRADFORD,R.TIMKOVICH JRNL TITL INVESTIGATION OF THE SOLUTION CONFORMATION OF JRNL TITL 2 CYTOCHROME C-551 FROM PSEUDOMONAS STUTZERI. JRNL REF BIOCHEMISTRY V. 31 8603 1992 JRNL REFN ISSN 0006-2960 JRNL PMID 1327105 JRNL DOI 10.1021/BI00151A030 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : NULL REMARK 3 AUTHORS : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1CCH 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 TRP A 77 CG TRP A 77 CD2 -0.105 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 TRP A 56 CG - CD1 - NE1 ANGL. DEV. = -6.5 DEGREES REMARK 500 TRP A 56 CD1 - NE1 - CE2 ANGL. DEV. = 6.2 DEGREES REMARK 500 TRP A 56 NE1 - CE2 - CZ2 ANGL. DEV. = 8.7 DEGREES REMARK 500 TRP A 56 NE1 - CE2 - CD2 ANGL. DEV. = -6.4 DEGREES REMARK 500 TRP A 77 CG - CD1 - NE1 ANGL. DEV. = -6.6 DEGREES REMARK 500 TRP A 77 CD1 - NE1 - CE2 ANGL. DEV. = 6.1 DEGREES REMARK 500 TRP A 77 NE1 - CE2 - CZ2 ANGL. DEV. = 9.0 DEGREES REMARK 500 TRP A 77 NE1 - CE2 - CD2 ANGL. DEV. = -6.5 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 LYS A 8 -71.38 -66.89 REMARK 500 PRO A 11 -4.61 -54.25 REMARK 500 THR A 20 -125.20 -157.57 REMARK 500 LYS A 21 159.95 168.01 REMARK 500 MET A 22 -56.69 -148.87 REMARK 500 TRP A 56 -43.85 -134.63 REMARK 500 PRO A 58 27.16 -67.57 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 HEM A 83 FE REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS A 16 NE2 REMARK 620 2 MET A 61 SD 179.4 REMARK 620 N 1 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HEM A 83 DBREF 1CCH A 1 82 UNP P00101 CY551_PSEST 23 104 SEQRES 1 A 82 GLN ASP GLY GLU ALA LEU PHE LYS SER LYS PRO CYS ALA SEQRES 2 A 82 ALA CYS HIS SER VAL ASP THR LYS MET VAL GLY PRO ALA SEQRES 3 A 82 LEU LYS GLU VAL ALA ALA LYS ASN ALA GLY VAL GLU GLY SEQRES 4 A 82 ALA ALA ASP THR LEU ALA LEU HIS ILE LYS ASN GLY SER SEQRES 5 A 82 GLN GLY VAL TRP GLY PRO ILE PRO MET PRO PRO ASN PRO SEQRES 6 A 82 VAL THR GLU GLU GLU ALA LYS ILE LEU ALA GLU TRP VAL SEQRES 7 A 82 LEU SER LEU LYS HET HEM A 83 43 HETNAM HEM PROTOPORPHYRIN IX CONTAINING FE HETSYN HEM HEME FORMUL 2 HEM C34 H32 FE N4 O4 HELIX 1 A1 GLU A 4 SER A 9 1 6 HELIX 2 A2 LEU A 27 LYS A 33 1 7 HELIX 3 A3 ALA A 40 LYS A 49 1 10 HELIX 4 A4 GLU A 69 LEU A 79 1 11 HELIX 5 P1 GLY A 24 ALA A 26 10A VERY SHORT PROLINE HELIX 3 HELIX 6 P2 ILE A 59 PRO A 63 10 5 LINK SG CYS A 12 CAB HEM A 83 1555 1555 1.81 LINK SG CYS A 15 CAC HEM A 83 1555 1555 1.82 LINK NE2 HIS A 16 FE HEM A 83 1555 1555 1.95 LINK FE HEM A 83 SD MET A 61 1555 1555 2.38 SITE *** AC1 17 CYS A 12 CYS A 15 HIS A 16 LEU A 44 SITE *** AC1 17 HIS A 47 ILE A 48 SER A 52 GLN A 53 SITE *** AC1 17 GLY A 54 VAL A 55 TRP A 56 GLY A 57 SITE *** AC1 17 ILE A 59 MET A 61 PRO A 62 ASN A 64 SITE *** AC1 17 VAL A 66 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 16 HIS HE2 : A 16 HIS NE2 : A 83 HEMFE :(H bumps) USER MOD Single : A 1 GLN : amide:sc= -0.351 X(o=-0.35,f=-0.18) USER MOD Single : A 1 GLN N :NH3+ -158:sc= -2.06! (180deg=-4.08!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0.00663 USER MOD Single : A 10 LYS NZ :NH3+ -147:sc= -0.672! (180deg=-4.13!) USER MOD Single : A 17 SER OG : rot -4:sc= 0.659 USER MOD Single : A 20 THR OG1 : rot -23:sc= -0.545! USER MOD Single : A 21 LYS NZ :NH3+ -161:sc= -0.785! (180deg=-2.49!) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 151:sc= -0.0251 (180deg=-0.805) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.033 K(o=-0.033,f=-1.7!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 HIS : no HE2:sc= 0.227 K(o=0.23,f=-3.5!) USER MOD Single : A 49 LYS NZ :NH3+ -158:sc= -1.43! (180deg=-3.57!) USER MOD Single : A 50 ASN : amide:sc= -0.0349 X(o=-0.035,f=0) USER MOD Single : A 52 SER OG : rot 160:sc= 0.0017 USER MOD Single : A 53 GLN : amide:sc= -0.654 K(o=-0.65,f=-3.5!) USER MOD Single : A 61 MET CE :methyl 174:sc= -2.84! (180deg=-3.08!) USER MOD Single : A 64 ASN : amide:sc= -3.42! C(o=-3.4!,f=-6.5!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.522) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 168:sc= -1.09 (180deg=-1.45!) USER MOD Single : A 83 HEM CMA :methyl -30:sc= -9.26! (180deg=-9.29!) USER MOD Single : A 83 HEM CMB :methyl -30:sc= -2.47! (180deg=-3.31!) USER MOD Single : A 83 HEM CMC :methyl 150:sc= -2.08! (180deg=-2.08!) USER MOD Single : A 83 HEM CMD :methyl 150:sc= -1.33 (180deg=-1.33) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -4.857 2.995 15.931 1.00 0.00 N ATOM 2 CA GLN A 1 -5.095 1.565 16.257 1.00 0.00 C ATOM 3 C GLN A 1 -6.139 0.998 15.298 1.00 0.00 C ATOM 4 O GLN A 1 -6.400 -0.188 15.336 1.00 0.00 O ATOM 5 CB GLN A 1 -5.614 1.463 17.696 1.00 0.00 C ATOM 6 CG GLN A 1 -5.009 2.616 18.498 1.00 0.00 C ATOM 7 CD GLN A 1 -6.133 3.479 19.073 1.00 0.00 C ATOM 8 OE1 GLN A 1 -6.031 4.689 19.062 1.00 0.00 O ATOM 9 NE2 GLN A 1 -7.197 2.910 19.571 1.00 0.00 N ATOM 0 H1 GLN A 1 -3.927 3.284 16.296 1.00 0.00 H new ATOM 0 H2 GLN A 1 -4.879 3.124 14.899 1.00 0.00 H new ATOM 0 H3 GLN A 1 -5.598 3.579 16.369 1.00 0.00 H new ATOM 0 HA GLN A 1 -4.168 1.001 16.159 1.00 0.00 H new ATOM 0 HB2 GLN A 1 -6.703 1.516 17.713 1.00 0.00 H new ATOM 0 HB3 GLN A 1 -5.335 0.505 18.135 1.00 0.00 H new ATOM 0 HG2 GLN A 1 -4.387 2.226 19.303 1.00 0.00 H new ATOM 0 HG3 GLN A 1 -4.363 3.219 17.859 1.00 0.00 H new ATOM 0 HE21 GLN A 1 -7.276 1.893 19.577 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -7.949 3.482 19.954 1.00 0.00 H new ATOM 10 N ASP A 2 -6.704 1.840 14.477 1.00 0.00 N ATOM 11 CA ASP A 2 -7.730 1.350 13.519 1.00 0.00 C ATOM 12 C ASP A 2 -7.218 1.495 12.088 1.00 0.00 C ATOM 13 O ASP A 2 -7.997 1.795 11.205 1.00 0.00 O ATOM 14 CB ASP A 2 -8.985 2.209 13.714 1.00 0.00 C ATOM 15 CG ASP A 2 -10.231 1.329 13.602 1.00 0.00 C ATOM 16 OD1 ASP A 2 -10.380 0.487 14.473 1.00 0.00 O ATOM 17 OD2 ASP A 2 -10.965 1.549 12.652 1.00 0.00 O ATOM 0 H ASP A 2 -6.501 2.838 14.429 1.00 0.00 H new ATOM 0 HA ASP A 2 -7.951 0.297 13.696 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -8.957 2.695 14.689 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -9.017 3.000 12.964 1.00 0.00 H new ATOM 18 N GLY A 3 -5.945 1.286 11.894 1.00 0.00 N ATOM 19 CA GLY A 3 -5.384 1.412 10.520 1.00 0.00 C ATOM 20 C GLY A 3 -3.955 0.866 10.505 1.00 0.00 C ATOM 21 O GLY A 3 -3.624 0.088 9.633 1.00 0.00 O ATOM 0 H GLY A 3 -5.274 1.036 12.621 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -6.003 0.863 9.810 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -5.390 2.456 10.207 1.00 0.00 H new ATOM 22 N GLU A 4 -3.158 1.278 11.453 1.00 0.00 N ATOM 23 CA GLU A 4 -1.757 0.785 11.496 1.00 0.00 C ATOM 24 C GLU A 4 -1.734 -0.688 11.897 1.00 0.00 C ATOM 25 O GLU A 4 -0.989 -1.452 11.316 1.00 0.00 O ATOM 26 CB GLU A 4 -1.010 1.619 12.545 1.00 0.00 C ATOM 27 CG GLU A 4 0.472 1.623 12.169 1.00 0.00 C ATOM 28 CD GLU A 4 1.320 1.495 13.436 1.00 0.00 C ATOM 29 OE1 GLU A 4 0.975 2.175 14.389 1.00 0.00 O ATOM 30 OE2 GLU A 4 2.264 0.724 13.380 1.00 0.00 O ATOM 0 H GLU A 4 -3.416 1.930 12.194 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.287 0.880 10.517 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.400 2.636 12.573 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -1.151 1.197 13.540 1.00 0.00 H new ATOM 0 HG2 GLU A 4 0.688 0.799 11.489 1.00 0.00 H new ATOM 0 HG3 GLU A 4 0.722 2.544 11.643 1.00 0.00 H new ATOM 31 N ALA A 5 -2.536 -1.047 12.862 1.00 0.00 N ATOM 32 CA ALA A 5 -2.560 -2.467 13.299 1.00 0.00 C ATOM 33 C ALA A 5 -2.830 -3.378 12.104 1.00 0.00 C ATOM 34 O ALA A 5 -2.221 -4.425 12.005 1.00 0.00 O ATOM 35 CB ALA A 5 -3.688 -2.611 14.328 1.00 0.00 C ATOM 0 H ALA A 5 -3.170 -0.423 13.362 1.00 0.00 H new ATOM 0 HA ALA A 5 -1.601 -2.751 13.733 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -3.736 -3.644 14.673 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -3.493 -1.954 15.176 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -4.637 -2.337 13.868 1.00 0.00 H new ATOM 36 N LEU A 6 -3.717 -2.971 11.239 1.00 0.00 N ATOM 37 CA LEU A 6 -4.022 -3.814 10.057 1.00 0.00 C ATOM 38 C LEU A 6 -2.760 -4.024 9.222 1.00 0.00 C ATOM 39 O LEU A 6 -2.479 -5.143 8.843 1.00 0.00 O ATOM 40 CB LEU A 6 -5.077 -3.074 9.232 1.00 0.00 C ATOM 41 CG LEU A 6 -6.443 -3.366 9.854 1.00 0.00 C ATOM 42 CD1 LEU A 6 -7.512 -2.636 9.039 1.00 0.00 C ATOM 43 CD2 LEU A 6 -6.704 -4.870 9.758 1.00 0.00 C ATOM 0 H LEU A 6 -4.239 -2.097 11.301 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.388 -4.793 10.366 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.879 -2.002 9.231 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.051 -3.404 8.194 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.468 -3.039 10.894 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -8.494 -2.833 9.468 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -7.316 -1.564 9.059 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.489 -2.990 8.008 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.675 -5.100 10.197 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -6.698 -5.174 8.711 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -5.925 -5.410 10.297 1.00 0.00 H new ATOM 44 N PHE A 7 -2.041 -2.967 8.958 1.00 0.00 N ATOM 45 CA PHE A 7 -0.803 -3.111 8.150 1.00 0.00 C ATOM 46 C PHE A 7 0.075 -4.207 8.748 1.00 0.00 C ATOM 47 O PHE A 7 0.812 -4.843 8.020 1.00 0.00 O ATOM 48 CB PHE A 7 -0.069 -1.767 8.197 1.00 0.00 C ATOM 49 CG PHE A 7 1.243 -1.874 7.416 1.00 0.00 C ATOM 50 CD1 PHE A 7 1.333 -2.695 6.307 1.00 0.00 C ATOM 51 CD2 PHE A 7 2.354 -1.149 7.809 1.00 0.00 C ATOM 52 CE1 PHE A 7 2.516 -2.789 5.602 1.00 0.00 C ATOM 53 CE2 PHE A 7 3.536 -1.245 7.104 1.00 0.00 C ATOM 54 CZ PHE A 7 3.617 -2.064 6.001 1.00 0.00 C ATOM 0 H PHE A 7 -2.257 -2.019 9.265 1.00 0.00 H new ATOM 0 HA PHE A 7 -1.038 -3.384 7.121 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -0.695 -0.983 7.771 1.00 0.00 H new ATOM 0 HB3 PHE A 7 0.133 -1.487 9.231 1.00 0.00 H new ATOM 0 HD1 PHE A 7 0.473 -3.266 5.991 1.00 0.00 H new ATOM 0 HD2 PHE A 7 2.296 -0.504 8.673 1.00 0.00 H new ATOM 0 HE1 PHE A 7 2.578 -3.432 4.736 1.00 0.00 H new ATOM 0 HE2 PHE A 7 4.399 -0.677 7.418 1.00 0.00 H new ATOM 0 HZ PHE A 7 4.542 -2.138 5.449 1.00 0.00 H new ATOM 55 N LYS A 8 -0.021 -4.400 10.034 1.00 0.00 N ATOM 56 CA LYS A 8 0.807 -5.453 10.677 1.00 0.00 C ATOM 57 C LYS A 8 0.355 -6.829 10.194 1.00 0.00 C ATOM 58 O LYS A 8 1.071 -7.459 9.441 1.00 0.00 O ATOM 59 CB LYS A 8 0.601 -5.338 12.192 1.00 0.00 C ATOM 60 CG LYS A 8 1.348 -4.092 12.673 1.00 0.00 C ATOM 61 CD LYS A 8 2.568 -4.557 13.472 1.00 0.00 C ATOM 62 CE LYS A 8 3.774 -3.740 13.003 1.00 0.00 C ATOM 63 NZ LYS A 8 4.462 -3.141 14.181 1.00 0.00 N ATOM 0 H LYS A 8 -0.632 -3.878 10.662 1.00 0.00 H new ATOM 0 HA LYS A 8 1.859 -5.328 10.422 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.460 -5.262 12.428 1.00 0.00 H new ATOM 0 HB3 LYS A 8 0.977 -6.228 12.697 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.657 -3.481 11.825 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.699 -3.473 13.292 1.00 0.00 H new ATOM 0 HD2 LYS A 8 2.402 -4.415 14.540 1.00 0.00 H new ATOM 0 HD3 LYS A 8 2.744 -5.621 13.316 1.00 0.00 H new ATOM 0 HE2 LYS A 8 4.465 -4.377 12.451 1.00 0.00 H new ATOM 0 HE3 LYS A 8 3.450 -2.954 12.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 5.281 -2.586 13.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 3.801 -2.520 14.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 4.785 -3.898 14.817 1.00 0.00 H new ATOM 64 N SER A 9 -0.799 -7.257 10.629 1.00 0.00 N ATOM 65 CA SER A 9 -1.293 -8.589 10.192 1.00 0.00 C ATOM 66 C SER A 9 -1.177 -8.711 8.677 1.00 0.00 C ATOM 67 O SER A 9 -1.043 -9.810 8.177 1.00 0.00 O ATOM 68 CB SER A 9 -2.760 -8.696 10.615 1.00 0.00 C ATOM 69 OG SER A 9 -2.708 -8.530 12.024 1.00 0.00 O ATOM 0 H SER A 9 -1.414 -6.746 11.262 1.00 0.00 H new ATOM 0 HA SER A 9 -0.705 -9.387 10.645 1.00 0.00 H new ATOM 0 HB2 SER A 9 -3.372 -7.928 10.142 1.00 0.00 H new ATOM 0 HB3 SER A 9 -3.189 -9.659 10.339 1.00 0.00 H new ATOM 0 HG SER A 9 -3.614 -8.582 12.393 1.00 0.00 H new ATOM 70 N LYS A 10 -1.230 -7.603 7.991 1.00 0.00 N ATOM 71 CA LYS A 10 -1.122 -7.663 6.512 1.00 0.00 C ATOM 72 C LYS A 10 0.344 -7.801 6.116 1.00 0.00 C ATOM 73 O LYS A 10 1.161 -6.996 6.519 1.00 0.00 O ATOM 74 CB LYS A 10 -1.697 -6.357 5.949 1.00 0.00 C ATOM 75 CG LYS A 10 -3.168 -6.279 6.362 1.00 0.00 C ATOM 76 CD LYS A 10 -3.736 -7.700 6.340 1.00 0.00 C ATOM 77 CE LYS A 10 -5.153 -7.629 5.764 1.00 0.00 C ATOM 78 NZ LYS A 10 -5.823 -8.951 5.919 1.00 0.00 N ATOM 0 H LYS A 10 -1.342 -6.670 8.387 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.670 -8.518 6.117 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -1.146 -5.499 6.334 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.603 -6.335 4.863 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.263 -5.845 7.357 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.723 -5.635 5.679 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.109 -8.353 5.732 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.753 -8.120 7.346 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.727 -6.857 6.277 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.115 -7.351 4.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.469 -9.109 5.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.106 -9.704 5.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.363 -8.964 6.808 1.00 0.00 H new ATOM 79 N PRO A 11 0.624 -8.811 5.343 1.00 0.00 N ATOM 80 CA PRO A 11 1.987 -9.082 4.874 1.00 0.00 C ATOM 81 C PRO A 11 2.572 -7.849 4.186 1.00 0.00 C ATOM 82 O PRO A 11 3.728 -7.871 3.811 1.00 0.00 O ATOM 83 CB PRO A 11 1.821 -10.245 3.877 1.00 0.00 C ATOM 84 CG PRO A 11 0.335 -10.698 3.925 1.00 0.00 C ATOM 85 CD PRO A 11 -0.407 -9.747 4.877 1.00 0.00 C ATOM 0 HA PRO A 11 2.671 -9.329 5.686 1.00 0.00 H new ATOM 0 HB2 PRO A 11 2.092 -9.928 2.870 1.00 0.00 H new ATOM 0 HB3 PRO A 11 2.482 -11.071 4.139 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -0.108 -10.666 2.929 1.00 0.00 H new ATOM 0 HG3 PRO A 11 0.259 -11.727 4.275 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -1.215 -9.224 4.365 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -0.855 -10.289 5.709 1.00 0.00 H new ATOM 86 N CYS A 12 1.781 -6.820 4.037 1.00 0.00 N ATOM 87 CA CYS A 12 2.299 -5.594 3.375 1.00 0.00 C ATOM 88 C CYS A 12 3.576 -5.134 4.074 1.00 0.00 C ATOM 89 O CYS A 12 4.402 -4.501 3.449 1.00 0.00 O ATOM 90 CB CYS A 12 1.222 -4.509 3.501 1.00 0.00 C ATOM 91 SG CYS A 12 -0.486 -5.024 3.195 1.00 0.00 S ATOM 0 H CYS A 12 0.809 -6.777 4.342 1.00 0.00 H new ATOM 0 HA CYS A 12 2.527 -5.790 2.327 1.00 0.00 H new ATOM 0 HB2 CYS A 12 1.277 -4.090 4.506 1.00 0.00 H new ATOM 0 HB3 CYS A 12 1.465 -3.705 2.806 1.00 0.00 H new ATOM 92 N ALA A 13 3.704 -5.453 5.333 1.00 0.00 N ATOM 93 CA ALA A 13 4.924 -5.035 6.073 1.00 0.00 C ATOM 94 C ALA A 13 6.111 -5.903 5.658 1.00 0.00 C ATOM 95 O ALA A 13 7.221 -5.411 5.618 1.00 0.00 O ATOM 96 CB ALA A 13 4.639 -5.224 7.568 1.00 0.00 C ATOM 0 H ALA A 13 3.021 -5.981 5.876 1.00 0.00 H new ATOM 0 HA ALA A 13 5.169 -3.996 5.853 1.00 0.00 H new ATOM 0 HB1 ALA A 13 5.514 -4.927 8.146 1.00 0.00 H new ATOM 0 HB2 ALA A 13 3.787 -4.608 7.857 1.00 0.00 H new ATOM 0 HB3 ALA A 13 4.413 -6.272 7.766 1.00 0.00 H new ATOM 97 N ALA A 14 5.858 -7.149 5.364 1.00 0.00 N ATOM 98 CA ALA A 14 6.972 -8.043 4.953 1.00 0.00 C ATOM 99 C ALA A 14 7.714 -7.441 3.762 1.00 0.00 C ATOM 100 O ALA A 14 8.918 -7.584 3.676 1.00 0.00 O ATOM 101 CB ALA A 14 6.356 -9.389 4.554 1.00 0.00 C ATOM 0 H ALA A 14 4.935 -7.582 5.391 1.00 0.00 H new ATOM 0 HA ALA A 14 7.683 -8.169 5.769 1.00 0.00 H new ATOM 0 HB1 ALA A 14 7.146 -10.074 4.245 1.00 0.00 H new ATOM 0 HB2 ALA A 14 5.822 -9.811 5.405 1.00 0.00 H new ATOM 0 HB3 ALA A 14 5.661 -9.240 3.727 1.00 0.00 H new ATOM 102 N CYS A 15 6.995 -6.793 2.887 1.00 0.00 N ATOM 103 CA CYS A 15 7.656 -6.182 1.704 1.00 0.00 C ATOM 104 C CYS A 15 7.727 -4.665 1.877 1.00 0.00 C ATOM 105 O CYS A 15 8.790 -4.097 1.726 1.00 0.00 O ATOM 106 CB CYS A 15 6.800 -6.528 0.480 1.00 0.00 C ATOM 107 SG CYS A 15 7.323 -7.954 -0.511 1.00 0.00 S ATOM 0 H CYS A 15 5.985 -6.662 2.941 1.00 0.00 H new ATOM 0 HA CYS A 15 8.672 -6.560 1.586 1.00 0.00 H new ATOM 0 HB2 CYS A 15 5.780 -6.707 0.819 1.00 0.00 H new ATOM 0 HB3 CYS A 15 6.771 -5.655 -0.171 1.00 0.00 H new ATOM 108 N HIS A 16 6.613 -4.056 2.183 1.00 0.00 N ATOM 109 CA HIS A 16 6.608 -2.580 2.367 1.00 0.00 C ATOM 110 C HIS A 16 7.138 -2.228 3.757 1.00 0.00 C ATOM 111 O HIS A 16 7.608 -3.105 4.454 1.00 0.00 O ATOM 112 CB HIS A 16 5.155 -2.108 2.234 1.00 0.00 C ATOM 113 CG HIS A 16 4.685 -2.073 0.806 1.00 0.00 C ATOM 114 ND1 HIS A 16 4.875 -1.044 -0.095 1.00 0.00 N ATOM 115 CD2 HIS A 16 3.975 -3.046 0.167 1.00 0.00 C ATOM 116 CE1 HIS A 16 4.286 -1.387 -1.260 1.00 0.00 C ATOM 117 NE2 HIS A 16 3.729 -2.606 -1.131 1.00 0.00 N ATOM 0 H HIS A 16 5.712 -4.516 2.313 1.00 0.00 H new ATOM 0 HA HIS A 16 7.243 -2.097 1.624 1.00 0.00 H new ATOM 0 HB2 HIS A 16 4.508 -2.770 2.809 1.00 0.00 H new ATOM 0 HB3 HIS A 16 5.059 -1.113 2.668 1.00 0.00 H new ATOM 0 HD1 HIS A 16 5.375 -0.174 0.088 1.00 0.00 H new ATOM 0 HD2 HIS A 16 3.660 -3.988 0.591 1.00 0.00 H new ATOM 0 HE1 HIS A 16 4.265 -0.780 -2.153 1.00 0.00 H new ATOM 118 N SER A 17 7.051 -0.977 4.123 1.00 0.00 N ATOM 119 CA SER A 17 7.549 -0.573 5.464 1.00 0.00 C ATOM 120 C SER A 17 6.795 0.664 5.950 1.00 0.00 C ATOM 121 O SER A 17 5.930 1.148 5.248 1.00 0.00 O ATOM 122 CB SER A 17 9.040 -0.249 5.321 1.00 0.00 C ATOM 123 OG SER A 17 9.634 -1.524 5.130 1.00 0.00 O ATOM 0 H SER A 17 6.660 -0.225 3.555 1.00 0.00 H new ATOM 0 HA SER A 17 7.395 -1.373 6.188 1.00 0.00 H new ATOM 0 HB2 SER A 17 9.229 0.413 4.476 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.431 0.248 6.209 1.00 0.00 H new ATOM 0 HG SER A 17 8.948 -2.220 5.210 1.00 0.00 H new ATOM 124 N VAL A 18 7.133 1.139 7.119 1.00 0.00 N ATOM 125 CA VAL A 18 6.436 2.341 7.649 1.00 0.00 C ATOM 126 C VAL A 18 7.431 3.489 7.804 1.00 0.00 C ATOM 127 O VAL A 18 7.085 4.619 7.523 1.00 0.00 O ATOM 128 CB VAL A 18 5.852 1.969 9.016 1.00 0.00 C ATOM 129 CG1 VAL A 18 6.922 2.210 10.082 1.00 0.00 C ATOM 130 CG2 VAL A 18 4.667 2.893 9.303 1.00 0.00 C ATOM 0 H VAL A 18 7.856 0.749 7.724 1.00 0.00 H new ATOM 0 HA VAL A 18 5.647 2.661 6.969 1.00 0.00 H new ATOM 0 HB VAL A 18 5.534 0.926 9.024 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.524 1.950 11.063 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.794 1.591 9.869 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.212 3.261 10.075 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.237 2.643 10.273 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.007 3.929 9.313 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.911 2.767 8.528 1.00 0.00 H new ATOM 131 N ASP A 19 8.621 3.181 8.242 1.00 0.00 N ATOM 132 CA ASP A 19 9.636 4.254 8.415 1.00 0.00 C ATOM 133 C ASP A 19 10.932 3.853 7.718 1.00 0.00 C ATOM 134 O ASP A 19 11.984 4.337 8.088 1.00 0.00 O ATOM 135 CB ASP A 19 9.882 4.419 9.920 1.00 0.00 C ATOM 136 CG ASP A 19 10.411 5.827 10.199 1.00 0.00 C ATOM 137 OD1 ASP A 19 9.672 6.752 9.903 1.00 0.00 O ATOM 138 OD2 ASP A 19 11.524 5.899 10.693 1.00 0.00 O ATOM 0 H ASP A 19 8.931 2.240 8.485 1.00 0.00 H new ATOM 0 HA ASP A 19 9.286 5.190 7.980 1.00 0.00 H new ATOM 0 HB2 ASP A 19 8.957 4.251 10.471 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.599 3.674 10.266 1.00 0.00 H new ATOM 139 N THR A 20 10.830 2.995 6.742 1.00 0.00 N ATOM 140 CA THR A 20 12.053 2.561 6.020 1.00 0.00 C ATOM 141 C THR A 20 11.677 2.038 4.637 1.00 0.00 C ATOM 142 O THR A 20 11.030 2.745 3.890 1.00 0.00 O ATOM 143 CB THR A 20 12.695 1.440 6.842 1.00 0.00 C ATOM 144 OG1 THR A 20 12.868 1.995 8.134 1.00 0.00 O ATOM 145 CG2 THR A 20 14.123 1.170 6.356 1.00 0.00 C ATOM 0 H THR A 20 9.958 2.579 6.416 1.00 0.00 H new ATOM 0 HA THR A 20 12.745 3.394 5.896 1.00 0.00 H new ATOM 0 HB THR A 20 12.089 0.536 6.787 1.00 0.00 H new ATOM 0 HG1 THR A 20 12.903 2.972 8.068 1.00 0.00 H new ATOM 0 HG21 THR A 20 14.565 0.371 6.951 1.00 0.00 H new ATOM 0 HG22 THR A 20 14.100 0.872 5.308 1.00 0.00 H new ATOM 0 HG23 THR A 20 14.721 2.075 6.463 1.00 0.00 H new ATOM 146 N LYS A 21 12.078 0.835 4.331 1.00 0.00 N ATOM 147 CA LYS A 21 11.742 0.274 2.998 1.00 0.00 C ATOM 148 C LYS A 21 12.549 -0.998 2.746 1.00 0.00 C ATOM 149 O LYS A 21 13.561 -1.199 3.388 1.00 0.00 O ATOM 150 CB LYS A 21 12.102 1.335 1.952 1.00 0.00 C ATOM 151 CG LYS A 21 11.226 1.094 0.722 1.00 0.00 C ATOM 152 CD LYS A 21 11.556 2.175 -0.308 1.00 0.00 C ATOM 153 CE LYS A 21 11.536 1.521 -1.691 1.00 0.00 C ATOM 154 NZ LYS A 21 11.879 0.076 -1.565 1.00 0.00 N ATOM 0 H LYS A 21 12.619 0.223 4.942 1.00 0.00 H new ATOM 0 HA LYS A 21 10.683 0.020 2.944 1.00 0.00 H new ATOM 0 HB2 LYS A 21 11.935 2.336 2.350 1.00 0.00 H new ATOM 0 HB3 LYS A 21 13.158 1.269 1.688 1.00 0.00 H new ATOM 0 HG2 LYS A 21 11.413 0.103 0.308 1.00 0.00 H new ATOM 0 HG3 LYS A 21 10.171 1.133 0.991 1.00 0.00 H new ATOM 0 HD2 LYS A 21 10.829 2.986 -0.258 1.00 0.00 H new ATOM 0 HD3 LYS A 21 12.534 2.611 -0.105 1.00 0.00 H new ATOM 0 HE2 LYS A 21 10.551 1.633 -2.143 1.00 0.00 H new ATOM 0 HE3 LYS A 21 12.248 2.018 -2.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 12.179 -0.291 -2.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 12.652 -0.039 -0.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 11.045 -0.452 -1.237 1.00 0.00 H new ATOM 155 N MET A 22 12.093 -1.812 1.834 1.00 0.00 N ATOM 156 CA MET A 22 12.831 -3.068 1.540 1.00 0.00 C ATOM 157 C MET A 22 12.647 -3.443 0.071 1.00 0.00 C ATOM 158 O MET A 22 13.626 -3.590 -0.633 1.00 0.00 O ATOM 159 CB MET A 22 12.247 -4.166 2.437 1.00 0.00 C ATOM 160 CG MET A 22 12.789 -3.951 3.852 1.00 0.00 C ATOM 161 SD MET A 22 12.736 -5.380 4.962 1.00 0.00 S ATOM 162 CE MET A 22 14.476 -5.726 5.322 1.00 0.00 C ATOM 0 H MET A 22 11.247 -1.662 1.284 1.00 0.00 H new ATOM 0 HA MET A 22 13.897 -2.944 1.731 1.00 0.00 H new ATOM 0 HB2 MET A 22 11.158 -4.122 2.434 1.00 0.00 H new ATOM 0 HB3 MET A 22 12.528 -5.152 2.066 1.00 0.00 H new ATOM 0 HG2 MET A 22 13.824 -3.618 3.774 1.00 0.00 H new ATOM 0 HG3 MET A 22 12.226 -3.139 4.313 1.00 0.00 H new ATOM 0 HE1 MET A 22 14.545 -6.583 5.993 1.00 0.00 H new ATOM 0 HE2 MET A 22 15.002 -5.948 4.394 1.00 0.00 H new ATOM 0 HE3 MET A 22 14.929 -4.856 5.797 1.00 0.00 H new ATOM 163 N VAL A 23 11.420 -3.588 -0.349 1.00 0.00 N ATOM 164 CA VAL A 23 11.172 -3.952 -1.769 1.00 0.00 C ATOM 165 C VAL A 23 10.361 -2.851 -2.447 1.00 0.00 C ATOM 166 O VAL A 23 10.804 -2.310 -3.440 1.00 0.00 O ATOM 167 CB VAL A 23 10.380 -5.266 -1.776 1.00 0.00 C ATOM 168 CG1 VAL A 23 9.877 -5.522 -3.198 1.00 0.00 C ATOM 169 CG2 VAL A 23 11.328 -6.402 -1.385 1.00 0.00 C ATOM 0 H VAL A 23 10.586 -3.471 0.226 1.00 0.00 H new ATOM 0 HA VAL A 23 12.112 -4.069 -2.309 1.00 0.00 H new ATOM 0 HB VAL A 23 9.542 -5.211 -1.081 1.00 0.00 H new ATOM 0 HG11 VAL A 23 9.311 -6.453 -3.222 1.00 0.00 H new ATOM 0 HG12 VAL A 23 9.234 -4.699 -3.510 1.00 0.00 H new ATOM 0 HG13 VAL A 23 10.727 -5.596 -3.877 1.00 0.00 H new ATOM 0 HG21 VAL A 23 10.783 -7.346 -1.384 1.00 0.00 H new ATOM 0 HG22 VAL A 23 12.147 -6.456 -2.103 1.00 0.00 H new ATOM 0 HG23 VAL A 23 11.730 -6.214 -0.389 1.00 0.00 H new ATOM 170 N GLY A 24 9.212 -2.549 -1.905 1.00 0.00 N ATOM 171 CA GLY A 24 8.371 -1.482 -2.518 1.00 0.00 C ATOM 172 C GLY A 24 8.591 -0.174 -1.757 1.00 0.00 C ATOM 173 O GLY A 24 9.192 -0.181 -0.701 1.00 0.00 O ATOM 0 H GLY A 24 8.822 -2.990 -1.072 1.00 0.00 H new ATOM 0 HA2 GLY A 24 8.632 -1.354 -3.569 1.00 0.00 H new ATOM 0 HA3 GLY A 24 7.319 -1.765 -2.483 1.00 0.00 H new ATOM 174 N PRO A 25 8.102 0.897 -2.318 1.00 0.00 N ATOM 175 CA PRO A 25 8.234 2.224 -1.708 1.00 0.00 C ATOM 176 C PRO A 25 7.470 2.273 -0.387 1.00 0.00 C ATOM 177 O PRO A 25 6.287 1.997 -0.376 1.00 0.00 O ATOM 178 CB PRO A 25 7.599 3.182 -2.732 1.00 0.00 C ATOM 179 CG PRO A 25 7.045 2.322 -3.902 1.00 0.00 C ATOM 180 CD PRO A 25 7.386 0.855 -3.601 1.00 0.00 C ATOM 0 HA PRO A 25 9.269 2.483 -1.485 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.799 3.760 -2.270 1.00 0.00 H new ATOM 0 HB3 PRO A 25 8.338 3.895 -3.098 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.967 2.453 -3.997 1.00 0.00 H new ATOM 0 HG3 PRO A 25 7.488 2.632 -4.848 1.00 0.00 H new ATOM 0 HD2 PRO A 25 6.486 0.245 -3.533 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.005 0.423 -4.387 1.00 0.00 H new ATOM 181 N ALA A 26 8.145 2.614 0.675 1.00 0.00 N ATOM 182 CA ALA A 26 7.450 2.677 1.985 1.00 0.00 C ATOM 183 C ALA A 26 6.165 3.490 1.849 1.00 0.00 C ATOM 184 O ALA A 26 6.178 4.517 1.199 1.00 0.00 O ATOM 185 CB ALA A 26 8.398 3.358 2.979 1.00 0.00 C ATOM 0 H ALA A 26 9.137 2.849 0.691 1.00 0.00 H new ATOM 0 HA ALA A 26 7.188 1.677 2.331 1.00 0.00 H new ATOM 0 HB1 ALA A 26 7.917 3.421 3.955 1.00 0.00 H new ATOM 0 HB2 ALA A 26 9.316 2.776 3.063 1.00 0.00 H new ATOM 0 HB3 ALA A 26 8.636 4.362 2.626 1.00 0.00 H new ATOM 186 N LEU A 27 5.106 3.024 2.451 1.00 0.00 N ATOM 187 CA LEU A 27 3.824 3.770 2.356 1.00 0.00 C ATOM 188 C LEU A 27 4.074 5.258 2.575 1.00 0.00 C ATOM 189 O LEU A 27 3.290 6.065 2.119 1.00 0.00 O ATOM 190 CB LEU A 27 2.897 3.230 3.449 1.00 0.00 C ATOM 191 CG LEU A 27 2.834 1.708 3.301 1.00 0.00 C ATOM 192 CD1 LEU A 27 1.654 1.190 4.125 1.00 0.00 C ATOM 193 CD2 LEU A 27 2.582 1.373 1.830 1.00 0.00 C ATOM 0 H LEU A 27 5.074 2.165 3.000 1.00 0.00 H new ATOM 0 HA LEU A 27 3.374 3.640 1.372 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.271 3.502 4.436 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.902 3.664 3.354 1.00 0.00 H new ATOM 0 HG LEU A 27 3.765 1.254 3.640 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.593 0.106 4.032 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.797 1.457 5.172 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.730 1.638 3.759 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.534 0.291 1.706 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.638 1.817 1.512 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.394 1.772 1.222 1.00 0.00 H new ATOM 194 N LYS A 28 5.134 5.584 3.260 1.00 0.00 N ATOM 195 CA LYS A 28 5.427 7.019 3.502 1.00 0.00 C ATOM 196 C LYS A 28 5.816 7.679 2.183 1.00 0.00 C ATOM 197 O LYS A 28 5.311 8.740 1.875 1.00 0.00 O ATOM 198 CB LYS A 28 6.593 7.094 4.494 1.00 0.00 C ATOM 199 CG LYS A 28 7.769 6.322 3.894 1.00 0.00 C ATOM 200 CD LYS A 28 8.928 6.389 4.891 1.00 0.00 C ATOM 201 CE LYS A 28 9.829 7.555 4.479 1.00 0.00 C ATOM 202 NZ LYS A 28 9.444 8.777 5.240 1.00 0.00 N ATOM 0 H LYS A 28 5.803 4.925 3.658 1.00 0.00 H new ATOM 0 HA LYS A 28 4.556 7.535 3.907 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.872 8.132 4.678 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.305 6.666 5.454 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.489 5.286 3.703 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.062 6.755 2.937 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.553 6.535 5.904 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.488 5.454 4.890 1.00 0.00 H new ATOM 0 HE2 LYS A 28 10.873 7.307 4.673 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.738 7.737 3.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.277 9.388 5.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.707 9.293 4.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.079 8.503 6.175 1.00 0.00 H new ATOM 203 N GLU A 29 6.690 7.048 1.447 1.00 0.00 N ATOM 204 CA GLU A 29 7.110 7.634 0.152 1.00 0.00 C ATOM 205 C GLU A 29 5.965 7.505 -0.846 1.00 0.00 C ATOM 206 O GLU A 29 5.814 8.358 -1.697 1.00 0.00 O ATOM 207 CB GLU A 29 8.325 6.838 -0.337 1.00 0.00 C ATOM 208 CG GLU A 29 9.341 7.833 -0.895 1.00 0.00 C ATOM 209 CD GLU A 29 9.706 7.440 -2.328 1.00 0.00 C ATOM 210 OE1 GLU A 29 9.983 6.266 -2.513 1.00 0.00 O ATOM 211 OE2 GLU A 29 9.686 8.335 -3.157 1.00 0.00 O ATOM 0 H GLU A 29 7.126 6.158 1.688 1.00 0.00 H new ATOM 0 HA GLU A 29 7.365 8.688 0.258 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.761 6.265 0.481 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.029 6.123 -1.105 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.926 8.841 -0.877 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.235 7.845 -0.271 1.00 0.00 H new ATOM 212 N VAL A 30 5.200 6.455 -0.719 1.00 0.00 N ATOM 213 CA VAL A 30 4.063 6.262 -1.653 1.00 0.00 C ATOM 214 C VAL A 30 2.966 7.266 -1.320 1.00 0.00 C ATOM 215 O VAL A 30 2.335 7.784 -2.220 1.00 0.00 O ATOM 216 CB VAL A 30 3.542 4.834 -1.452 1.00 0.00 C ATOM 217 CG1 VAL A 30 2.018 4.852 -1.592 1.00 0.00 C ATOM 218 CG2 VAL A 30 4.118 3.948 -2.558 1.00 0.00 C ATOM 0 H VAL A 30 5.315 5.728 -0.012 1.00 0.00 H new ATOM 0 HA VAL A 30 4.373 6.412 -2.687 1.00 0.00 H new ATOM 0 HB VAL A 30 3.832 4.457 -0.471 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.628 3.844 -1.452 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.591 5.514 -0.839 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.748 5.211 -2.585 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.758 2.927 -2.431 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.801 4.327 -3.530 1.00 0.00 H new ATOM 0 HG23 VAL A 30 5.207 3.958 -2.502 1.00 0.00 H new ATOM 219 N ALA A 31 2.771 7.513 -0.055 1.00 0.00 N ATOM 220 CA ALA A 31 1.719 8.482 0.347 1.00 0.00 C ATOM 221 C ALA A 31 2.009 9.842 -0.281 1.00 0.00 C ATOM 222 O ALA A 31 1.082 10.544 -0.635 1.00 0.00 O ATOM 223 CB ALA A 31 1.758 8.593 1.876 1.00 0.00 C ATOM 0 H ALA A 31 3.292 7.088 0.712 1.00 0.00 H new ATOM 0 HA ALA A 31 0.736 8.151 0.012 1.00 0.00 H new ATOM 0 HB1 ALA A 31 0.997 9.298 2.209 1.00 0.00 H new ATOM 0 HB2 ALA A 31 1.564 7.615 2.317 1.00 0.00 H new ATOM 0 HB3 ALA A 31 2.741 8.945 2.190 1.00 0.00 H new ATOM 224 N ALA A 32 3.264 10.178 -0.402 1.00 0.00 N ATOM 225 CA ALA A 32 3.611 11.490 -1.006 1.00 0.00 C ATOM 226 C ALA A 32 3.413 11.427 -2.518 1.00 0.00 C ATOM 227 O ALA A 32 3.155 12.445 -3.129 1.00 0.00 O ATOM 228 CB ALA A 32 5.084 11.769 -0.684 1.00 0.00 C ATOM 0 H ALA A 32 4.056 9.605 -0.111 1.00 0.00 H new ATOM 0 HA ALA A 32 2.975 12.281 -0.608 1.00 0.00 H new ATOM 0 HB1 ALA A 32 5.375 12.728 -1.113 1.00 0.00 H new ATOM 0 HB2 ALA A 32 5.221 11.799 0.397 1.00 0.00 H new ATOM 0 HB3 ALA A 32 5.705 10.979 -1.106 1.00 0.00 H new ATOM 229 N LYS A 33 3.535 10.254 -3.078 1.00 0.00 N ATOM 230 CA LYS A 33 3.353 10.123 -4.547 1.00 0.00 C ATOM 231 C LYS A 33 1.871 10.231 -4.896 1.00 0.00 C ATOM 232 O LYS A 33 1.539 10.815 -5.908 1.00 0.00 O ATOM 233 CB LYS A 33 3.885 8.743 -4.953 1.00 0.00 C ATOM 234 CG LYS A 33 5.376 8.889 -5.263 1.00 0.00 C ATOM 235 CD LYS A 33 5.541 10.074 -6.216 1.00 0.00 C ATOM 236 CE LYS A 33 6.741 9.782 -7.120 1.00 0.00 C ATOM 237 NZ LYS A 33 7.729 10.891 -7.014 1.00 0.00 N ATOM 0 H LYS A 33 3.751 9.388 -2.584 1.00 0.00 H new ATOM 0 HA LYS A 33 3.888 10.913 -5.075 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.731 8.023 -4.150 1.00 0.00 H new ATOM 0 HB3 LYS A 33 3.349 8.368 -5.825 1.00 0.00 H new ATOM 0 HG2 LYS A 33 5.942 9.054 -4.346 1.00 0.00 H new ATOM 0 HG3 LYS A 33 5.763 7.977 -5.717 1.00 0.00 H new ATOM 0 HD2 LYS A 33 4.639 10.214 -6.812 1.00 0.00 H new ATOM 0 HD3 LYS A 33 5.700 10.996 -5.656 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.205 8.839 -6.831 1.00 0.00 H new ATOM 0 HE3 LYS A 33 6.412 9.672 -8.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 8.543 10.690 -7.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 7.283 11.783 -7.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 8.052 10.976 -6.029 1.00 0.00 H new ATOM 238 N ASN A 34 1.031 9.676 -4.066 1.00 0.00 N ATOM 239 CA ASN A 34 -0.427 9.746 -4.348 1.00 0.00 C ATOM 240 C ASN A 34 -1.084 10.771 -3.427 1.00 0.00 C ATOM 241 O ASN A 34 -2.294 10.781 -3.313 1.00 0.00 O ATOM 242 CB ASN A 34 -1.011 8.355 -4.082 1.00 0.00 C ATOM 243 CG ASN A 34 -0.569 7.396 -5.188 1.00 0.00 C ATOM 244 OD1 ASN A 34 -0.916 7.595 -6.335 1.00 0.00 O ATOM 245 ND2 ASN A 34 0.179 6.369 -4.892 1.00 0.00 N ATOM 0 H ASN A 34 1.290 9.181 -3.212 1.00 0.00 H new ATOM 0 HA ASN A 34 -0.607 10.049 -5.379 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -0.676 7.988 -3.112 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -2.099 8.407 -4.044 1.00 0.00 H new ATOM 0 HD21 ASN A 34 0.477 5.726 -5.626 1.00 0.00 H new ATOM 0 HD22 ASN A 34 0.466 6.209 -3.927 1.00 0.00 H new ATOM 246 N ALA A 35 -0.289 11.596 -2.802 1.00 0.00 N ATOM 247 CA ALA A 35 -0.865 12.619 -1.891 1.00 0.00 C ATOM 248 C ALA A 35 -1.811 13.531 -2.664 1.00 0.00 C ATOM 249 O ALA A 35 -3.004 13.483 -2.438 1.00 0.00 O ATOM 250 CB ALA A 35 0.301 13.439 -1.326 1.00 0.00 C ATOM 0 H ALA A 35 0.728 11.605 -2.883 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.429 12.144 -1.088 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.085 14.203 -0.651 1.00 0.00 H new ATOM 0 HB2 ALA A 35 0.978 12.781 -0.781 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.840 13.917 -2.144 1.00 0.00 H new ATOM 251 N GLY A 36 -1.266 14.328 -3.538 1.00 0.00 N ATOM 252 CA GLY A 36 -2.129 15.249 -4.333 1.00 0.00 C ATOM 253 C GLY A 36 -3.362 14.489 -4.826 1.00 0.00 C ATOM 254 O GLY A 36 -4.426 15.070 -4.905 1.00 0.00 O ATOM 0 H GLY A 36 -0.267 14.383 -3.737 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -2.432 16.099 -3.722 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.571 15.648 -5.180 1.00 0.00 H new ATOM 255 N VAL A 37 -3.193 13.234 -5.139 1.00 0.00 N ATOM 256 CA VAL A 37 -4.353 12.442 -5.625 1.00 0.00 C ATOM 257 C VAL A 37 -4.985 11.684 -4.460 1.00 0.00 C ATOM 258 O VAL A 37 -4.981 10.469 -4.468 1.00 0.00 O ATOM 259 CB VAL A 37 -3.826 11.450 -6.669 1.00 0.00 C ATOM 260 CG1 VAL A 37 -2.826 10.515 -5.986 1.00 0.00 C ATOM 261 CG2 VAL A 37 -5.002 10.613 -7.178 1.00 0.00 C ATOM 0 H VAL A 37 -2.309 12.728 -5.080 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.110 13.093 -6.061 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.350 11.981 -7.494 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.440 9.801 -6.714 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.001 11.100 -5.578 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.323 9.977 -5.179 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.646 9.901 -7.922 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.452 10.073 -6.345 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.747 11.268 -7.630 1.00 0.00 H new ATOM 262 N GLU A 38 -5.503 12.403 -3.502 1.00 0.00 N ATOM 263 CA GLU A 38 -6.133 11.725 -2.339 1.00 0.00 C ATOM 264 C GLU A 38 -7.073 10.624 -2.824 1.00 0.00 C ATOM 265 O GLU A 38 -7.246 9.641 -2.131 1.00 0.00 O ATOM 266 CB GLU A 38 -6.928 12.785 -1.566 1.00 0.00 C ATOM 267 CG GLU A 38 -6.191 13.059 -0.254 1.00 0.00 C ATOM 268 CD GLU A 38 -7.112 13.824 0.698 1.00 0.00 C ATOM 269 OE1 GLU A 38 -8.230 14.079 0.281 1.00 0.00 O ATOM 270 OE2 GLU A 38 -6.646 14.110 1.789 1.00 0.00 O ATOM 0 H GLU A 38 -5.517 13.423 -3.476 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.374 11.270 -1.702 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.016 13.699 -2.153 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.941 12.434 -1.369 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.878 12.120 0.202 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -5.287 13.637 -0.446 1.00 0.00 H new ATOM 271 N GLY A 39 -7.646 10.806 -3.982 1.00 0.00 N ATOM 272 CA GLY A 39 -8.574 9.767 -4.511 1.00 0.00 C ATOM 273 C GLY A 39 -7.763 8.651 -5.171 1.00 0.00 C ATOM 274 O GLY A 39 -8.277 7.975 -6.039 1.00 0.00 O ATOM 0 H GLY A 39 -7.514 11.622 -4.580 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -9.182 9.361 -3.702 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.260 10.210 -5.234 1.00 0.00 H new ATOM 275 N ALA A 40 -6.538 8.486 -4.752 1.00 0.00 N ATOM 276 CA ALA A 40 -5.698 7.417 -5.354 1.00 0.00 C ATOM 277 C ALA A 40 -5.981 6.085 -4.665 1.00 0.00 C ATOM 278 O ALA A 40 -5.481 5.069 -5.106 1.00 0.00 O ATOM 279 CB ALA A 40 -4.232 7.812 -5.143 1.00 0.00 C ATOM 0 H ALA A 40 -6.087 9.041 -4.025 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.918 7.306 -6.416 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.584 7.048 -5.573 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.039 8.768 -5.630 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.029 7.901 -4.076 1.00 0.00 H new ATOM 280 N ALA A 41 -6.762 6.117 -3.620 1.00 0.00 N ATOM 281 CA ALA A 41 -7.076 4.852 -2.905 1.00 0.00 C ATOM 282 C ALA A 41 -7.757 3.872 -3.855 1.00 0.00 C ATOM 283 O ALA A 41 -7.512 2.685 -3.763 1.00 0.00 O ATOM 284 CB ALA A 41 -8.022 5.202 -1.750 1.00 0.00 C ATOM 0 H ALA A 41 -7.192 6.958 -3.234 1.00 0.00 H new ATOM 0 HA ALA A 41 -6.165 4.385 -2.530 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -8.276 4.296 -1.200 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.532 5.908 -1.080 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -8.932 5.651 -2.148 1.00 0.00 H new ATOM 285 N ASP A 42 -8.580 4.379 -4.730 1.00 0.00 N ATOM 286 CA ASP A 42 -9.276 3.477 -5.684 1.00 0.00 C ATOM 287 C ASP A 42 -8.282 2.945 -6.713 1.00 0.00 C ATOM 288 O ASP A 42 -8.395 1.804 -7.115 1.00 0.00 O ATOM 289 CB ASP A 42 -10.363 4.302 -6.385 1.00 0.00 C ATOM 290 CG ASP A 42 -11.732 3.675 -6.115 1.00 0.00 C ATOM 291 OD1 ASP A 42 -11.729 2.581 -5.575 1.00 0.00 O ATOM 292 OD2 ASP A 42 -12.704 4.325 -6.464 1.00 0.00 O ATOM 0 H ASP A 42 -8.798 5.371 -4.824 1.00 0.00 H new ATOM 0 HA ASP A 42 -9.715 2.627 -5.162 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -10.344 5.330 -6.023 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -10.173 4.338 -7.458 1.00 0.00 H new ATOM 293 N THR A 43 -7.348 3.766 -7.109 1.00 0.00 N ATOM 294 CA THR A 43 -6.351 3.306 -8.109 1.00 0.00 C ATOM 295 C THR A 43 -5.416 2.282 -7.472 1.00 0.00 C ATOM 296 O THR A 43 -4.979 1.372 -8.148 1.00 0.00 O ATOM 297 CB THR A 43 -5.551 4.532 -8.559 1.00 0.00 C ATOM 298 OG1 THR A 43 -6.529 5.455 -9.007 1.00 0.00 O ATOM 299 CG2 THR A 43 -4.739 4.209 -9.817 1.00 0.00 C ATOM 0 H THR A 43 -7.235 4.727 -6.785 1.00 0.00 H new ATOM 0 HA THR A 43 -6.846 2.837 -8.960 1.00 0.00 H new ATOM 0 HB THR A 43 -4.900 4.875 -7.755 1.00 0.00 H new ATOM 0 HG1 THR A 43 -6.089 6.275 -9.313 1.00 0.00 H new ATOM 0 HG21 THR A 43 -4.176 5.091 -10.123 1.00 0.00 H new ATOM 0 HG22 THR A 43 -4.048 3.393 -9.604 1.00 0.00 H new ATOM 0 HG23 THR A 43 -5.414 3.912 -10.620 1.00 0.00 H new ATOM 300 N LEU A 44 -5.136 2.449 -6.208 1.00 0.00 N ATOM 301 CA LEU A 44 -4.232 1.485 -5.529 1.00 0.00 C ATOM 302 C LEU A 44 -4.928 0.134 -5.392 1.00 0.00 C ATOM 303 O LEU A 44 -4.307 -0.883 -5.632 1.00 0.00 O ATOM 304 CB LEU A 44 -3.916 2.052 -4.140 1.00 0.00 C ATOM 305 CG LEU A 44 -3.084 3.322 -4.331 1.00 0.00 C ATOM 306 CD1 LEU A 44 -2.118 3.450 -3.151 1.00 0.00 C ATOM 307 CD2 LEU A 44 -2.263 3.174 -5.614 1.00 0.00 C ATOM 0 H LEU A 44 -5.492 3.205 -5.623 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.317 1.343 -6.103 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.836 2.276 -3.600 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.367 1.322 -3.545 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.732 4.197 -4.391 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.516 4.351 -3.270 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.685 3.512 -2.222 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.465 2.578 -3.119 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.663 4.071 -5.767 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.607 2.308 -5.528 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.934 3.038 -6.462 1.00 0.00 H new ATOM 308 N ALA A 45 -6.178 0.150 -5.016 1.00 0.00 N ATOM 309 CA ALA A 45 -6.910 -1.134 -4.866 1.00 0.00 C ATOM 310 C ALA A 45 -6.774 -1.955 -6.145 1.00 0.00 C ATOM 311 O ALA A 45 -6.676 -3.164 -6.070 1.00 0.00 O ATOM 312 CB ALA A 45 -8.384 -0.796 -4.615 1.00 0.00 C ATOM 0 H ALA A 45 -6.718 0.990 -4.808 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.505 -1.717 -4.039 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -8.954 -1.718 -4.500 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -8.471 -0.199 -3.707 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.776 -0.230 -5.460 1.00 0.00 H new ATOM 313 N LEU A 46 -6.772 -1.294 -7.270 1.00 0.00 N ATOM 314 CA LEU A 46 -6.643 -2.035 -8.552 1.00 0.00 C ATOM 315 C LEU A 46 -5.183 -2.417 -8.780 1.00 0.00 C ATOM 316 O LEU A 46 -4.912 -3.278 -9.594 1.00 0.00 O ATOM 317 CB LEU A 46 -7.119 -1.101 -9.671 1.00 0.00 C ATOM 318 CG LEU A 46 -6.505 -1.593 -10.984 1.00 0.00 C ATOM 319 CD1 LEU A 46 -7.483 -2.570 -11.639 1.00 0.00 C ATOM 320 CD2 LEU A 46 -6.324 -0.392 -11.915 1.00 0.00 C ATOM 0 H LEU A 46 -6.854 -0.281 -7.355 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.238 -2.948 -8.534 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.207 -1.104 -9.734 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.814 -0.075 -9.468 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.547 -2.079 -10.798 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -7.062 -2.932 -12.577 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -7.658 -3.413 -10.971 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -8.427 -2.062 -11.837 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.887 -0.724 -12.857 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.293 0.069 -12.107 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.663 0.336 -11.445 1.00 0.00 H new ATOM 321 N HIS A 47 -4.292 -1.780 -8.070 1.00 0.00 N ATOM 322 CA HIS A 47 -2.852 -2.103 -8.242 1.00 0.00 C ATOM 323 C HIS A 47 -2.412 -3.105 -7.178 1.00 0.00 C ATOM 324 O HIS A 47 -1.358 -3.695 -7.314 1.00 0.00 O ATOM 325 CB HIS A 47 -2.068 -0.797 -8.083 1.00 0.00 C ATOM 326 CG HIS A 47 -2.209 0.043 -9.354 1.00 0.00 C ATOM 327 ND1 HIS A 47 -1.515 1.089 -9.627 1.00 0.00 N ATOM 328 CD2 HIS A 47 -3.062 -0.118 -10.436 1.00 0.00 C ATOM 329 CE1 HIS A 47 -1.861 1.578 -10.764 1.00 0.00 C ATOM 330 NE2 HIS A 47 -2.818 0.861 -11.302 1.00 0.00 N ATOM 0 H HIS A 47 -4.499 -1.055 -7.383 1.00 0.00 H new ATOM 0 HA HIS A 47 -2.671 -2.545 -9.222 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -2.440 -0.240 -7.223 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -1.017 -1.013 -7.892 1.00 0.00 H new ATOM 0 HD1 HIS A 47 -0.790 1.478 -9.025 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -3.796 -0.901 -10.554 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -1.424 2.457 -11.214 1.00 0.00 H new ATOM 331 N ILE A 48 -3.212 -3.273 -6.160 1.00 0.00 N ATOM 332 CA ILE A 48 -2.839 -4.235 -5.089 1.00 0.00 C ATOM 333 C ILE A 48 -3.370 -5.624 -5.429 1.00 0.00 C ATOM 334 O ILE A 48 -2.606 -6.568 -5.447 1.00 0.00 O ATOM 335 CB ILE A 48 -3.475 -3.741 -3.789 1.00 0.00 C ATOM 336 CG1 ILE A 48 -2.641 -2.589 -3.234 1.00 0.00 C ATOM 337 CG2 ILE A 48 -3.425 -4.890 -2.774 1.00 0.00 C ATOM 338 CD1 ILE A 48 -3.462 -1.902 -2.141 1.00 0.00 C ATOM 0 H ILE A 48 -4.100 -2.789 -6.026 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.755 -4.298 -4.990 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.499 -3.414 -3.969 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.699 -2.960 -2.829 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -2.391 -1.882 -4.025 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.873 -4.566 -1.835 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.978 -5.744 -3.164 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.388 -5.178 -2.601 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -2.891 -1.072 -1.724 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.392 -1.525 -2.567 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.689 -2.619 -1.352 1.00 0.00 H new ATOM 339 N LYS A 49 -4.643 -5.713 -5.686 1.00 0.00 N ATOM 340 CA LYS A 49 -5.232 -7.035 -6.024 1.00 0.00 C ATOM 341 C LYS A 49 -4.625 -7.560 -7.323 1.00 0.00 C ATOM 342 O LYS A 49 -4.198 -8.697 -7.363 1.00 0.00 O ATOM 343 CB LYS A 49 -6.742 -6.832 -6.200 1.00 0.00 C ATOM 344 CG LYS A 49 -7.221 -5.898 -5.087 1.00 0.00 C ATOM 345 CD LYS A 49 -7.576 -6.761 -3.874 1.00 0.00 C ATOM 346 CE LYS A 49 -9.093 -6.700 -3.685 1.00 0.00 C ATOM 347 NZ LYS A 49 -9.620 -5.432 -4.265 1.00 0.00 N ATOM 0 H LYS A 49 -5.298 -4.931 -5.677 1.00 0.00 H new ATOM 0 HA LYS A 49 -5.028 -7.759 -5.235 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.958 -6.403 -7.178 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -7.264 -7.787 -6.148 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -6.443 -5.179 -4.830 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -8.088 -5.325 -5.416 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -7.251 -7.790 -4.029 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -7.065 -6.396 -2.983 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -9.564 -7.556 -4.168 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -9.340 -6.757 -2.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -10.538 -5.207 -3.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -8.950 -4.659 -4.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -9.741 -5.544 -5.292 1.00 0.00 H new ATOM 348 N ASN A 50 -4.599 -6.738 -8.336 1.00 0.00 N ATOM 349 CA ASN A 50 -4.020 -7.192 -9.628 1.00 0.00 C ATOM 350 C ASN A 50 -2.546 -6.800 -9.705 1.00 0.00 C ATOM 351 O ASN A 50 -2.006 -6.728 -10.791 1.00 0.00 O ATOM 352 CB ASN A 50 -4.803 -6.498 -10.749 1.00 0.00 C ATOM 353 CG ASN A 50 -6.223 -7.064 -10.806 1.00 0.00 C ATOM 354 OD1 ASN A 50 -6.397 -8.229 -11.105 1.00 0.00 O ATOM 355 ND2 ASN A 50 -7.240 -6.294 -10.532 1.00 0.00 N ATOM 0 H ASN A 50 -4.951 -5.781 -8.324 1.00 0.00 H new ATOM 0 HA ASN A 50 -4.090 -8.276 -9.721 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -4.836 -5.423 -10.572 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -4.301 -6.649 -11.705 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -8.188 -6.669 -10.568 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.087 -5.317 -10.282 1.00 0.00 H new ATOM 356 N GLY A 51 -1.940 -6.560 -8.575 1.00 0.00 N ATOM 357 CA GLY A 51 -0.501 -6.173 -8.585 1.00 0.00 C ATOM 358 C GLY A 51 -0.317 -4.933 -9.462 1.00 0.00 C ATOM 359 O GLY A 51 -1.277 -4.465 -10.041 1.00 0.00 O ATOM 0 H GLY A 51 -2.374 -6.614 -7.653 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.161 -5.968 -7.570 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.106 -6.995 -8.965 1.00 0.00 H new ATOM 360 N SER A 52 0.889 -4.439 -9.538 1.00 0.00 N ATOM 361 CA SER A 52 1.132 -3.234 -10.374 1.00 0.00 C ATOM 362 C SER A 52 2.634 -2.999 -10.522 1.00 0.00 C ATOM 363 O SER A 52 3.383 -3.361 -9.637 1.00 0.00 O ATOM 364 CB SER A 52 0.486 -2.042 -9.658 1.00 0.00 C ATOM 365 OG SER A 52 1.418 -0.991 -9.868 1.00 0.00 O ATOM 0 H SER A 52 1.708 -4.815 -9.061 1.00 0.00 H new ATOM 0 HA SER A 52 0.707 -3.363 -11.369 1.00 0.00 H new ATOM 0 HB2 SER A 52 -0.491 -1.803 -10.077 1.00 0.00 H new ATOM 0 HB3 SER A 52 0.338 -2.242 -8.597 1.00 0.00 H new ATOM 0 HG SER A 52 0.973 -0.128 -9.738 1.00 0.00 H new ATOM 366 N GLN A 53 3.032 -2.410 -11.616 1.00 0.00 N ATOM 367 CA GLN A 53 4.482 -2.152 -11.821 1.00 0.00 C ATOM 368 C GLN A 53 4.671 -0.910 -12.688 1.00 0.00 C ATOM 369 O GLN A 53 3.694 -0.346 -13.141 1.00 0.00 O ATOM 370 CB GLN A 53 5.069 -3.377 -12.532 1.00 0.00 C ATOM 371 CG GLN A 53 4.725 -3.263 -14.018 1.00 0.00 C ATOM 372 CD GLN A 53 5.297 -4.468 -14.768 1.00 0.00 C ATOM 373 OE1 GLN A 53 5.019 -5.593 -14.403 1.00 0.00 O ATOM 374 NE2 GLN A 53 6.080 -4.281 -15.795 1.00 0.00 N ATOM 0 H GLN A 53 2.420 -2.099 -12.370 1.00 0.00 H new ATOM 0 HA GLN A 53 4.982 -1.983 -10.867 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.149 -3.419 -12.392 1.00 0.00 H new ATOM 0 HB3 GLN A 53 4.657 -4.295 -12.114 1.00 0.00 H new ATOM 0 HG2 GLN A 53 3.644 -3.219 -14.150 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.134 -2.339 -14.427 1.00 0.00 H new ATOM 0 HE21 GLN A 53 6.309 -3.334 -16.096 1.00 0.00 H new ATOM 0 HE22 GLN A 53 6.463 -5.082 -16.297 1.00 0.00 H new ATOM 375 N GLY A 54 5.898 -0.517 -12.897 1.00 0.00 N ATOM 376 CA GLY A 54 6.147 0.690 -13.735 1.00 0.00 C ATOM 377 C GLY A 54 5.818 1.948 -12.929 1.00 0.00 C ATOM 378 O GLY A 54 6.330 3.005 -13.240 1.00 0.00 O ATOM 0 H GLY A 54 6.732 -0.974 -12.528 1.00 0.00 H new ATOM 0 HA2 GLY A 54 7.188 0.714 -14.057 1.00 0.00 H new ATOM 0 HA3 GLY A 54 5.535 0.652 -14.636 1.00 0.00 H new ATOM 379 N VAL A 55 4.987 1.809 -11.933 1.00 0.00 N ATOM 380 CA VAL A 55 4.626 2.994 -11.111 1.00 0.00 C ATOM 381 C VAL A 55 5.774 3.341 -10.169 1.00 0.00 C ATOM 382 O VAL A 55 5.878 4.476 -9.749 1.00 0.00 O ATOM 383 CB VAL A 55 3.387 2.617 -10.292 1.00 0.00 C ATOM 384 CG1 VAL A 55 2.892 3.867 -9.561 1.00 0.00 C ATOM 385 CG2 VAL A 55 2.292 2.152 -11.254 1.00 0.00 C ATOM 0 H VAL A 55 4.546 0.932 -11.655 1.00 0.00 H new ATOM 0 HA VAL A 55 4.428 3.858 -11.746 1.00 0.00 H new ATOM 0 HB VAL A 55 3.627 1.828 -9.579 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.009 3.618 -8.972 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.676 4.237 -8.901 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.637 4.637 -10.289 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.402 1.879 -10.687 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.049 2.958 -11.946 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.644 1.286 -11.815 1.00 0.00 H new ATOM 386 N TRP A 56 6.594 2.375 -9.865 1.00 0.00 N ATOM 387 CA TRP A 56 7.732 2.647 -8.952 1.00 0.00 C ATOM 388 C TRP A 56 9.012 2.026 -9.509 1.00 0.00 C ATOM 389 O TRP A 56 10.043 2.668 -9.485 1.00 0.00 O ATOM 390 CB TRP A 56 7.381 2.013 -7.601 1.00 0.00 C ATOM 391 CG TRP A 56 6.188 2.752 -6.993 1.00 0.00 C ATOM 392 CD1 TRP A 56 4.900 2.419 -7.183 1.00 0.00 C ATOM 393 CD2 TRP A 56 6.269 3.830 -6.218 1.00 0.00 C ATOM 394 NE1 TRP A 56 4.232 3.345 -6.493 1.00 0.00 N ATOM 395 CE2 TRP A 56 5.006 4.263 -5.860 1.00 0.00 C ATOM 396 CE3 TRP A 56 7.383 4.507 -5.766 1.00 0.00 C ATOM 397 CZ2 TRP A 56 4.860 5.372 -5.053 1.00 0.00 C ATOM 398 CZ3 TRP A 56 7.236 5.616 -4.958 1.00 0.00 C ATOM 399 CH2 TRP A 56 5.975 6.048 -4.602 1.00 0.00 C ATOM 0 H TRP A 56 6.525 1.417 -10.207 1.00 0.00 H new ATOM 0 HA TRP A 56 7.901 3.719 -8.847 1.00 0.00 H new ATOM 0 HB2 TRP A 56 7.142 0.958 -7.732 1.00 0.00 H new ATOM 0 HB3 TRP A 56 8.237 2.064 -6.928 1.00 0.00 H new ATOM 0 HD1 TRP A 56 4.500 1.597 -7.758 1.00 0.00 H new ATOM 0 HE1 TRP A 56 3.213 3.362 -6.445 1.00 0.00 H new ATOM 0 HE3 TRP A 56 8.370 4.169 -6.045 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 3.873 5.711 -4.774 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 8.108 6.146 -4.604 1.00 0.00 H new ATOM 0 HH2 TRP A 56 5.861 6.916 -3.970 1.00 0.00 H new ATOM 400 N GLY A 57 8.923 0.815 -9.987 1.00 0.00 N ATOM 401 CA GLY A 57 10.139 0.158 -10.544 1.00 0.00 C ATOM 402 C GLY A 57 9.725 -1.078 -11.344 1.00 0.00 C ATOM 403 O GLY A 57 8.575 -1.470 -11.302 1.00 0.00 O ATOM 0 H GLY A 57 8.070 0.257 -10.016 1.00 0.00 H new ATOM 0 HA2 GLY A 57 10.682 0.854 -11.184 1.00 0.00 H new ATOM 0 HA3 GLY A 57 10.814 -0.126 -9.737 1.00 0.00 H new ATOM 404 N PRO A 58 10.672 -1.644 -12.041 1.00 0.00 N ATOM 405 CA PRO A 58 10.435 -2.840 -12.862 1.00 0.00 C ATOM 406 C PRO A 58 10.124 -4.052 -11.981 1.00 0.00 C ATOM 407 O PRO A 58 10.385 -5.165 -12.392 1.00 0.00 O ATOM 408 CB PRO A 58 11.764 -3.053 -13.613 1.00 0.00 C ATOM 409 CG PRO A 58 12.780 -2.003 -13.084 1.00 0.00 C ATOM 410 CD PRO A 58 12.041 -1.112 -12.074 1.00 0.00 C ATOM 0 HA PRO A 58 9.584 -2.719 -13.533 1.00 0.00 H new ATOM 0 HB2 PRO A 58 12.138 -4.064 -13.449 1.00 0.00 H new ATOM 0 HB3 PRO A 58 11.619 -2.937 -14.687 1.00 0.00 H new ATOM 0 HG2 PRO A 58 13.629 -2.496 -12.611 1.00 0.00 H new ATOM 0 HG3 PRO A 58 13.176 -1.405 -13.905 1.00 0.00 H new ATOM 0 HD2 PRO A 58 12.508 -1.157 -11.090 1.00 0.00 H new ATOM 0 HD3 PRO A 58 12.053 -0.067 -12.384 1.00 0.00 H new ATOM 411 N ILE A 59 9.584 -3.820 -10.814 1.00 0.00 N ATOM 412 CA ILE A 59 9.262 -4.962 -9.920 1.00 0.00 C ATOM 413 C ILE A 59 7.756 -5.017 -9.670 1.00 0.00 C ATOM 414 O ILE A 59 7.268 -4.357 -8.774 1.00 0.00 O ATOM 415 CB ILE A 59 9.998 -4.729 -8.600 1.00 0.00 C ATOM 416 CG1 ILE A 59 11.021 -3.613 -8.793 1.00 0.00 C ATOM 417 CG2 ILE A 59 10.763 -6.012 -8.254 1.00 0.00 C ATOM 418 CD1 ILE A 59 12.097 -3.773 -7.717 1.00 0.00 C ATOM 0 H ILE A 59 9.355 -2.897 -10.447 1.00 0.00 H new ATOM 0 HA ILE A 59 9.569 -5.905 -10.373 1.00 0.00 H new ATOM 0 HB ILE A 59 9.291 -4.464 -7.814 1.00 0.00 H new ATOM 0 HG12 ILE A 59 11.464 -3.669 -9.787 1.00 0.00 H new ATOM 0 HG13 ILE A 59 10.542 -2.637 -8.712 1.00 0.00 H new ATOM 0 HG21 ILE A 59 11.299 -5.874 -7.315 1.00 0.00 H new ATOM 0 HG22 ILE A 59 10.060 -6.839 -8.153 1.00 0.00 H new ATOM 0 HG23 ILE A 59 11.475 -6.236 -9.048 1.00 0.00 H new ATOM 0 HD11 ILE A 59 12.844 -2.987 -7.830 1.00 0.00 H new ATOM 0 HD12 ILE A 59 11.639 -3.699 -6.731 1.00 0.00 H new ATOM 0 HD13 ILE A 59 12.576 -4.747 -7.823 1.00 0.00 H new ATOM 419 N PRO A 60 7.075 -5.796 -10.466 1.00 0.00 N ATOM 420 CA PRO A 60 5.620 -5.950 -10.347 1.00 0.00 C ATOM 421 C PRO A 60 5.259 -6.527 -8.979 1.00 0.00 C ATOM 422 O PRO A 60 5.926 -7.433 -8.520 1.00 0.00 O ATOM 423 CB PRO A 60 5.245 -6.935 -11.470 1.00 0.00 C ATOM 424 CG PRO A 60 6.548 -7.302 -12.233 1.00 0.00 C ATOM 425 CD PRO A 60 7.710 -6.576 -11.538 1.00 0.00 C ATOM 0 HA PRO A 60 5.089 -5.002 -10.435 1.00 0.00 H new ATOM 0 HB2 PRO A 60 4.781 -7.829 -11.055 1.00 0.00 H new ATOM 0 HB3 PRO A 60 4.520 -6.484 -12.147 1.00 0.00 H new ATOM 0 HG2 PRO A 60 6.708 -8.380 -12.222 1.00 0.00 H new ATOM 0 HG3 PRO A 60 6.478 -7.001 -13.278 1.00 0.00 H new ATOM 0 HD2 PRO A 60 8.435 -7.284 -11.136 1.00 0.00 H new ATOM 0 HD3 PRO A 60 8.246 -5.930 -12.233 1.00 0.00 H new ATOM 426 N MET A 61 4.231 -6.001 -8.370 1.00 0.00 N ATOM 427 CA MET A 61 3.829 -6.518 -7.036 1.00 0.00 C ATOM 428 C MET A 61 2.808 -7.641 -7.198 1.00 0.00 C ATOM 429 O MET A 61 1.774 -7.439 -7.805 1.00 0.00 O ATOM 430 CB MET A 61 3.205 -5.351 -6.265 1.00 0.00 C ATOM 431 CG MET A 61 2.556 -5.916 -4.999 1.00 0.00 C ATOM 432 SD MET A 61 1.464 -4.798 -4.087 1.00 0.00 S ATOM 433 CE MET A 61 0.804 -3.689 -5.356 1.00 0.00 C ATOM 0 H MET A 61 3.658 -5.241 -8.737 1.00 0.00 H new ATOM 0 HA MET A 61 4.690 -6.918 -6.501 1.00 0.00 H new ATOM 0 HB2 MET A 61 3.966 -4.614 -6.007 1.00 0.00 H new ATOM 0 HB3 MET A 61 2.463 -4.841 -6.879 1.00 0.00 H new ATOM 0 HG2 MET A 61 1.985 -6.802 -5.274 1.00 0.00 H new ATOM 0 HG3 MET A 61 3.348 -6.244 -4.326 1.00 0.00 H new ATOM 0 HE1 MET A 61 0.047 -3.040 -4.915 1.00 0.00 H new ATOM 0 HE2 MET A 61 1.611 -3.080 -5.763 1.00 0.00 H new ATOM 0 HE3 MET A 61 0.355 -4.278 -6.156 1.00 0.00 H new ATOM 434 N PRO A 62 3.132 -8.782 -6.653 1.00 0.00 N ATOM 435 CA PRO A 62 2.257 -9.959 -6.722 1.00 0.00 C ATOM 436 C PRO A 62 0.927 -9.674 -6.024 1.00 0.00 C ATOM 437 O PRO A 62 0.896 -8.939 -5.057 1.00 0.00 O ATOM 438 CB PRO A 62 3.035 -11.059 -5.975 1.00 0.00 C ATOM 439 CG PRO A 62 4.368 -10.437 -5.472 1.00 0.00 C ATOM 440 CD PRO A 62 4.397 -8.972 -5.931 1.00 0.00 C ATOM 0 HA PRO A 62 2.017 -10.243 -7.747 1.00 0.00 H new ATOM 0 HB2 PRO A 62 2.450 -11.439 -5.137 1.00 0.00 H new ATOM 0 HB3 PRO A 62 3.232 -11.903 -6.635 1.00 0.00 H new ATOM 0 HG2 PRO A 62 4.434 -10.500 -4.386 1.00 0.00 H new ATOM 0 HG3 PRO A 62 5.221 -10.982 -5.875 1.00 0.00 H new ATOM 0 HD2 PRO A 62 4.474 -8.293 -5.082 1.00 0.00 H new ATOM 0 HD3 PRO A 62 5.254 -8.776 -6.575 1.00 0.00 H new ATOM 441 N PRO A 63 -0.121 -10.264 -6.536 1.00 0.00 N ATOM 442 CA PRO A 63 -1.466 -10.088 -5.976 1.00 0.00 C ATOM 443 C PRO A 63 -1.509 -10.583 -4.531 1.00 0.00 C ATOM 444 O PRO A 63 -1.016 -11.659 -4.256 1.00 0.00 O ATOM 445 CB PRO A 63 -2.371 -10.954 -6.871 1.00 0.00 C ATOM 446 CG PRO A 63 -1.469 -11.632 -7.940 1.00 0.00 C ATOM 447 CD PRO A 63 -0.031 -11.145 -7.708 1.00 0.00 C ATOM 0 HA PRO A 63 -1.778 -9.044 -5.958 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -2.890 -11.706 -6.276 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -3.136 -10.341 -7.349 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -1.524 -12.717 -7.856 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -1.804 -11.373 -8.944 1.00 0.00 H new ATOM 0 HD2 PRO A 63 0.645 -11.980 -7.525 1.00 0.00 H new ATOM 0 HD3 PRO A 63 0.351 -10.610 -8.577 1.00 0.00 H new ATOM 448 N ASN A 64 -2.085 -9.804 -3.657 1.00 0.00 N ATOM 449 CA ASN A 64 -2.158 -10.230 -2.236 1.00 0.00 C ATOM 450 C ASN A 64 -3.591 -10.623 -1.884 1.00 0.00 C ATOM 451 O ASN A 64 -4.518 -10.111 -2.479 1.00 0.00 O ATOM 452 CB ASN A 64 -1.722 -9.037 -1.378 1.00 0.00 C ATOM 453 CG ASN A 64 -0.509 -8.364 -2.022 1.00 0.00 C ATOM 454 OD1 ASN A 64 -0.588 -7.933 -3.155 1.00 0.00 O ATOM 455 ND2 ASN A 64 0.605 -8.258 -1.351 1.00 0.00 N ATOM 0 H ASN A 64 -2.505 -8.898 -3.865 1.00 0.00 H new ATOM 0 HA ASN A 64 -1.513 -11.091 -2.059 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -2.541 -8.323 -1.285 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.474 -9.371 -0.370 1.00 0.00 H new ATOM 0 HD21 ASN A 64 1.417 -7.811 -1.777 1.00 0.00 H new ATOM 0 HD22 ASN A 64 0.664 -8.622 -0.400 1.00 0.00 H new ATOM 456 N PRO A 65 -3.723 -11.522 -0.944 1.00 0.00 N ATOM 457 CA PRO A 65 -5.039 -11.999 -0.497 1.00 0.00 C ATOM 458 C PRO A 65 -5.764 -10.902 0.282 1.00 0.00 C ATOM 459 O PRO A 65 -6.046 -11.091 1.448 1.00 0.00 O ATOM 460 CB PRO A 65 -4.714 -13.181 0.435 1.00 0.00 C ATOM 461 CG PRO A 65 -3.183 -13.163 0.692 1.00 0.00 C ATOM 462 CD PRO A 65 -2.568 -12.141 -0.276 1.00 0.00 C ATOM 0 HA PRO A 65 -5.687 -12.280 -1.327 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -5.262 -13.092 1.373 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -5.015 -14.124 -0.022 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -2.970 -12.889 1.725 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -2.755 -14.152 0.529 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -1.973 -11.399 0.256 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -1.906 -12.624 -0.995 1.00 0.00 H new ATOM 463 N VAL A 66 -6.045 -9.803 -0.361 1.00 0.00 N ATOM 464 CA VAL A 66 -6.748 -8.707 0.352 1.00 0.00 C ATOM 465 C VAL A 66 -8.091 -8.429 -0.317 1.00 0.00 C ATOM 466 O VAL A 66 -8.179 -8.494 -1.527 1.00 0.00 O ATOM 467 CB VAL A 66 -5.858 -7.462 0.270 1.00 0.00 C ATOM 468 CG1 VAL A 66 -5.018 -7.382 1.546 1.00 0.00 C ATOM 469 CG2 VAL A 66 -4.912 -7.620 -0.923 1.00 0.00 C ATOM 0 H VAL A 66 -5.820 -9.619 -1.339 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.934 -8.981 1.391 1.00 0.00 H new ATOM 0 HB VAL A 66 -6.467 -6.565 0.158 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.378 -6.501 1.505 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.677 -7.312 2.412 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.400 -8.276 1.632 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.270 -6.742 -0.997 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.297 -8.509 -0.784 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.495 -7.722 -1.838 1.00 0.00 H new ATOM 470 N THR A 67 -9.090 -8.130 0.468 1.00 0.00 N ATOM 471 CA THR A 67 -10.424 -7.848 -0.123 1.00 0.00 C ATOM 472 C THR A 67 -10.665 -6.341 -0.161 1.00 0.00 C ATOM 473 O THR A 67 -9.782 -5.588 0.200 1.00 0.00 O ATOM 474 CB THR A 67 -11.470 -8.522 0.769 1.00 0.00 C ATOM 475 OG1 THR A 67 -11.476 -7.755 1.960 1.00 0.00 O ATOM 476 CG2 THR A 67 -10.980 -9.903 1.217 1.00 0.00 C ATOM 0 H THR A 67 -9.039 -8.070 1.485 1.00 0.00 H new ATOM 0 HA THR A 67 -10.484 -8.229 -1.142 1.00 0.00 H new ATOM 0 HB THR A 67 -12.422 -8.599 0.244 1.00 0.00 H new ATOM 0 HG1 THR A 67 -12.130 -8.129 2.587 1.00 0.00 H new ATOM 0 HG21 THR A 67 -11.735 -10.369 1.850 1.00 0.00 H new ATOM 0 HG22 THR A 67 -10.804 -10.528 0.342 1.00 0.00 H new ATOM 0 HG23 THR A 67 -10.052 -9.795 1.778 1.00 0.00 H new ATOM 477 N GLU A 68 -11.831 -5.941 -0.588 1.00 0.00 N ATOM 478 CA GLU A 68 -12.124 -4.485 -0.648 1.00 0.00 C ATOM 479 C GLU A 68 -12.218 -3.916 0.766 1.00 0.00 C ATOM 480 O GLU A 68 -11.919 -2.755 0.962 1.00 0.00 O ATOM 481 CB GLU A 68 -13.468 -4.316 -1.367 1.00 0.00 C ATOM 482 CG GLU A 68 -13.463 -5.235 -2.590 1.00 0.00 C ATOM 483 CD GLU A 68 -14.797 -5.109 -3.328 1.00 0.00 C ATOM 484 OE1 GLU A 68 -15.699 -4.550 -2.725 1.00 0.00 O ATOM 485 OE2 GLU A 68 -14.840 -5.578 -4.453 1.00 0.00 O ATOM 0 H GLU A 68 -12.586 -6.554 -0.895 1.00 0.00 H new ATOM 0 HA GLU A 68 -11.333 -3.955 -1.179 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -14.292 -4.571 -0.701 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -13.612 -3.279 -1.669 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.641 -4.969 -3.255 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -13.302 -6.268 -2.281 1.00 0.00 H new ATOM 486 N GLU A 69 -12.624 -4.730 1.702 1.00 0.00 N ATOM 487 CA GLU A 69 -12.738 -4.237 3.100 1.00 0.00 C ATOM 488 C GLU A 69 -11.352 -3.914 3.653 1.00 0.00 C ATOM 489 O GLU A 69 -11.147 -2.822 4.145 1.00 0.00 O ATOM 490 CB GLU A 69 -13.381 -5.356 3.928 1.00 0.00 C ATOM 491 CG GLU A 69 -13.707 -4.787 5.310 1.00 0.00 C ATOM 492 CD GLU A 69 -15.220 -4.835 5.537 1.00 0.00 C ATOM 493 OE1 GLU A 69 -15.810 -5.782 5.044 1.00 0.00 O ATOM 494 OE2 GLU A 69 -15.699 -3.923 6.190 1.00 0.00 O ATOM 0 H GLU A 69 -12.879 -5.707 1.559 1.00 0.00 H new ATOM 0 HA GLU A 69 -13.341 -3.330 3.141 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -14.286 -5.719 3.441 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -12.703 -6.205 4.015 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.194 -5.361 6.082 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -13.349 -3.760 5.386 1.00 0.00 H new ATOM 495 N GLU A 70 -10.448 -4.851 3.563 1.00 0.00 N ATOM 496 CA GLU A 70 -9.079 -4.596 4.084 1.00 0.00 C ATOM 497 C GLU A 70 -8.318 -3.683 3.126 1.00 0.00 C ATOM 498 O GLU A 70 -7.530 -2.874 3.576 1.00 0.00 O ATOM 499 CB GLU A 70 -8.369 -5.950 4.190 1.00 0.00 C ATOM 500 CG GLU A 70 -8.610 -6.495 5.600 1.00 0.00 C ATOM 501 CD GLU A 70 -8.459 -8.017 5.592 1.00 0.00 C ATOM 502 OE1 GLU A 70 -7.914 -8.502 4.613 1.00 0.00 O ATOM 503 OE2 GLU A 70 -8.897 -8.610 6.564 1.00 0.00 O ATOM 0 H GLU A 70 -10.598 -5.774 3.155 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.123 -4.107 5.057 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.754 -6.643 3.442 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.301 -5.837 4.001 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.900 -6.052 6.299 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -9.608 -6.220 5.942 1.00 0.00 H new ATOM 504 N ALA A 71 -8.562 -3.827 1.853 1.00 0.00 N ATOM 505 CA ALA A 71 -7.850 -2.965 0.873 1.00 0.00 C ATOM 506 C ALA A 71 -8.269 -1.509 1.063 1.00 0.00 C ATOM 507 O ALA A 71 -7.448 -0.628 0.903 1.00 0.00 O ATOM 508 CB ALA A 71 -8.243 -3.445 -0.530 1.00 0.00 C ATOM 0 H ALA A 71 -9.218 -4.498 1.453 1.00 0.00 H new ATOM 0 HA ALA A 71 -6.771 -3.030 1.013 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -7.738 -2.834 -1.278 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -7.949 -4.487 -0.654 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.322 -3.355 -0.656 1.00 0.00 H new ATOM 509 N LYS A 72 -9.513 -1.292 1.394 1.00 0.00 N ATOM 510 CA LYS A 72 -9.984 0.105 1.595 1.00 0.00 C ATOM 511 C LYS A 72 -9.355 0.685 2.858 1.00 0.00 C ATOM 512 O LYS A 72 -8.725 1.722 2.786 1.00 0.00 O ATOM 513 CB LYS A 72 -11.509 0.056 1.750 1.00 0.00 C ATOM 514 CG LYS A 72 -12.129 0.186 0.357 1.00 0.00 C ATOM 515 CD LYS A 72 -13.564 0.689 0.532 1.00 0.00 C ATOM 516 CE LYS A 72 -14.417 0.062 -0.573 1.00 0.00 C ATOM 517 NZ LYS A 72 -13.791 0.325 -1.899 1.00 0.00 N ATOM 0 H LYS A 72 -10.218 -2.016 1.533 1.00 0.00 H new ATOM 0 HA LYS A 72 -9.702 0.733 0.750 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -11.815 -0.880 2.218 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -11.853 0.863 2.397 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -11.552 0.880 -0.255 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -12.121 -0.775 -0.157 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -13.948 0.414 1.514 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -13.598 1.777 0.470 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -14.509 -1.012 -0.410 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -15.425 0.476 -0.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -14.515 0.262 -2.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -13.372 1.277 -1.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -13.048 -0.380 -2.078 1.00 0.00 H new ATOM 518 N ILE A 73 -9.536 0.020 3.964 1.00 0.00 N ATOM 519 CA ILE A 73 -8.948 0.535 5.227 1.00 0.00 C ATOM 520 C ILE A 73 -7.453 0.765 5.046 1.00 0.00 C ATOM 521 O ILE A 73 -6.992 1.874 5.229 1.00 0.00 O ATOM 522 CB ILE A 73 -9.184 -0.520 6.307 1.00 0.00 C ATOM 523 CG1 ILE A 73 -10.525 -0.248 6.983 1.00 0.00 C ATOM 524 CG2 ILE A 73 -8.084 -0.364 7.364 1.00 0.00 C ATOM 525 CD1 ILE A 73 -11.594 -1.057 6.245 1.00 0.00 C ATOM 0 H ILE A 73 -10.061 -0.850 4.047 1.00 0.00 H new ATOM 0 HA ILE A 73 -9.409 1.482 5.507 1.00 0.00 H new ATOM 0 HB ILE A 73 -9.177 -1.518 5.869 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -10.488 -0.534 8.034 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -10.761 0.816 6.950 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -8.227 -1.106 8.150 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.109 -0.511 6.899 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -8.133 0.636 7.795 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -12.566 -0.882 6.707 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -11.628 -0.748 5.200 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -11.351 -2.118 6.301 1.00 0.00 H new ATOM 526 N LEU A 74 -6.744 -0.267 4.697 1.00 0.00 N ATOM 527 CA LEU A 74 -5.282 -0.117 4.503 1.00 0.00 C ATOM 528 C LEU A 74 -5.003 1.057 3.570 1.00 0.00 C ATOM 529 O LEU A 74 -3.990 1.708 3.720 1.00 0.00 O ATOM 530 CB LEU A 74 -4.775 -1.412 3.867 1.00 0.00 C ATOM 531 CG LEU A 74 -4.533 -2.424 4.988 1.00 0.00 C ATOM 532 CD1 LEU A 74 -3.812 -3.637 4.397 1.00 0.00 C ATOM 533 CD2 LEU A 74 -3.621 -1.782 6.035 1.00 0.00 C ATOM 0 H LEU A 74 -7.113 -1.205 4.538 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.782 0.072 5.453 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.505 -1.798 3.155 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.854 -1.230 3.313 1.00 0.00 H new ATOM 0 HG LEU A 74 -5.478 -2.724 5.440 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.630 -4.371 5.182 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.430 -4.084 3.619 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.861 -3.322 3.968 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -3.438 -2.491 6.842 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.673 -1.507 5.572 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.101 -0.890 6.437 1.00 0.00 H new ATOM 534 N ALA A 75 -5.893 1.295 2.645 1.00 0.00 N ATOM 535 CA ALA A 75 -5.682 2.424 1.701 1.00 0.00 C ATOM 536 C ALA A 75 -5.992 3.743 2.400 1.00 0.00 C ATOM 537 O ALA A 75 -5.479 4.768 1.996 1.00 0.00 O ATOM 538 CB ALA A 75 -6.638 2.222 0.520 1.00 0.00 C ATOM 0 H ALA A 75 -6.750 0.760 2.504 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.648 2.452 1.356 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.510 3.035 -0.195 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.418 1.272 0.033 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.666 2.215 0.881 1.00 0.00 H new ATOM 539 N GLU A 76 -6.810 3.691 3.412 1.00 0.00 N ATOM 540 CA GLU A 76 -7.151 4.940 4.136 1.00 0.00 C ATOM 541 C GLU A 76 -6.019 5.291 5.093 1.00 0.00 C ATOM 542 O GLU A 76 -5.707 6.455 5.248 1.00 0.00 O ATOM 543 CB GLU A 76 -8.442 4.675 4.918 1.00 0.00 C ATOM 544 CG GLU A 76 -9.601 4.684 3.917 1.00 0.00 C ATOM 545 CD GLU A 76 -10.922 4.864 4.667 1.00 0.00 C ATOM 546 OE1 GLU A 76 -11.120 5.963 5.159 1.00 0.00 O ATOM 547 OE2 GLU A 76 -11.659 3.892 4.705 1.00 0.00 O ATOM 0 H GLU A 76 -7.253 2.843 3.766 1.00 0.00 H new ATOM 0 HA GLU A 76 -7.290 5.772 3.446 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -8.388 3.715 5.432 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -8.590 5.438 5.682 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -9.467 5.491 3.196 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -9.615 3.752 3.353 1.00 0.00 H new ATOM 548 N TRP A 77 -5.441 4.295 5.703 1.00 0.00 N ATOM 549 CA TRP A 77 -4.329 4.565 6.647 1.00 0.00 C ATOM 550 C TRP A 77 -3.084 4.967 5.859 1.00 0.00 C ATOM 551 O TRP A 77 -2.340 5.813 6.314 1.00 0.00 O ATOM 552 CB TRP A 77 -4.069 3.274 7.430 1.00 0.00 C ATOM 553 CG TRP A 77 -2.818 3.442 8.293 1.00 0.00 C ATOM 554 CD1 TRP A 77 -2.749 4.159 9.428 1.00 0.00 C ATOM 555 CD2 TRP A 77 -1.639 2.891 8.033 1.00 0.00 C ATOM 556 NE1 TRP A 77 -1.481 4.003 9.819 1.00 0.00 N ATOM 557 CE2 TRP A 77 -0.719 3.226 9.006 1.00 0.00 C ATOM 558 CE3 TRP A 77 -1.272 2.084 6.980 1.00 0.00 C ATOM 559 CZ2 TRP A 77 0.573 2.749 8.922 1.00 0.00 C ATOM 560 CZ3 TRP A 77 0.019 1.606 6.895 1.00 0.00 C ATOM 561 CH2 TRP A 77 0.942 1.939 7.866 1.00 0.00 C ATOM 0 H TRP A 77 -5.690 3.313 5.588 1.00 0.00 H new ATOM 0 HA TRP A 77 -4.580 5.376 7.330 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -4.928 3.038 8.058 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -3.939 2.439 6.742 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -3.532 4.726 9.909 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -1.112 4.436 10.666 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -1.995 1.825 6.220 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 1.295 3.009 9.682 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 0.307 0.972 6.070 1.00 0.00 H new ATOM 0 HH2 TRP A 77 1.953 1.566 7.800 1.00 0.00 H new ATOM 562 N VAL A 78 -2.888 4.364 4.715 1.00 0.00 N ATOM 563 CA VAL A 78 -1.696 4.713 3.901 1.00 0.00 C ATOM 564 C VAL A 78 -1.795 6.167 3.447 1.00 0.00 C ATOM 565 O VAL A 78 -0.789 6.849 3.407 1.00 0.00 O ATOM 566 CB VAL A 78 -1.688 3.792 2.674 1.00 0.00 C ATOM 567 CG1 VAL A 78 -1.165 2.416 3.092 1.00 0.00 C ATOM 568 CG2 VAL A 78 -3.125 3.635 2.180 1.00 0.00 C ATOM 0 H VAL A 78 -3.499 3.651 4.315 1.00 0.00 H new ATOM 0 HA VAL A 78 -0.783 4.589 4.483 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.057 4.212 1.891 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.155 1.753 2.227 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.153 2.515 3.485 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.814 1.999 3.862 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.140 2.983 1.307 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.736 3.198 2.970 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.526 4.612 1.910 1.00 0.00 H new ATOM 569 N LEU A 79 -2.982 6.602 3.121 1.00 0.00 N ATOM 570 CA LEU A 79 -3.147 8.007 2.670 1.00 0.00 C ATOM 571 C LEU A 79 -3.080 8.949 3.870 1.00 0.00 C ATOM 572 O LEU A 79 -2.769 10.111 3.698 1.00 0.00 O ATOM 573 CB LEU A 79 -4.524 8.112 2.004 1.00 0.00 C ATOM 574 CG LEU A 79 -4.389 7.610 0.565 1.00 0.00 C ATOM 575 CD1 LEU A 79 -5.678 7.948 -0.188 1.00 0.00 C ATOM 576 CD2 LEU A 79 -3.231 8.353 -0.101 1.00 0.00 C ATOM 0 H LEU A 79 -3.837 6.047 3.148 1.00 0.00 H new ATOM 0 HA LEU A 79 -2.356 8.285 1.973 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.258 7.517 2.548 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.877 9.143 2.017 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.209 6.535 0.552 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.601 7.597 -1.217 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.522 7.460 0.299 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.830 9.027 -0.183 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.120 8.007 -1.129 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.436 9.424 -0.098 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.310 8.159 0.449 1.00 0.00 H new ATOM 577 N SER A 80 -3.366 8.437 5.036 1.00 0.00 N ATOM 578 CA SER A 80 -3.319 9.301 6.244 1.00 0.00 C ATOM 579 C SER A 80 -1.958 9.177 6.925 1.00 0.00 C ATOM 580 O SER A 80 -1.739 9.816 7.935 1.00 0.00 O ATOM 581 CB SER A 80 -4.422 8.818 7.193 1.00 0.00 C ATOM 582 OG SER A 80 -5.038 10.024 7.618 1.00 0.00 O ATOM 0 H SER A 80 -3.628 7.465 5.202 1.00 0.00 H new ATOM 0 HA SER A 80 -3.469 10.346 5.975 1.00 0.00 H new ATOM 0 HB2 SER A 80 -5.130 8.162 6.686 1.00 0.00 H new ATOM 0 HB3 SER A 80 -4.013 8.257 8.033 1.00 0.00 H new ATOM 0 HG SER A 80 -5.769 9.817 8.237 1.00 0.00 H new ATOM 583 N LEU A 81 -1.091 8.373 6.373 1.00 0.00 N ATOM 584 CA LEU A 81 0.250 8.213 6.994 1.00 0.00 C ATOM 585 C LEU A 81 0.853 9.583 7.291 1.00 0.00 C ATOM 586 O LEU A 81 1.155 9.867 8.433 1.00 0.00 O ATOM 587 CB LEU A 81 1.132 7.458 5.992 1.00 0.00 C ATOM 588 CG LEU A 81 0.943 5.960 6.240 1.00 0.00 C ATOM 589 CD1 LEU A 81 1.147 5.220 4.916 1.00 0.00 C ATOM 590 CD2 LEU A 81 2.015 5.493 7.227 1.00 0.00 C ATOM 0 H LEU A 81 -1.252 7.826 5.527 1.00 0.00 H new ATOM 0 HA LEU A 81 0.177 7.664 7.933 1.00 0.00 H new ATOM 0 HB2 LEU A 81 0.854 7.714 4.970 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.178 7.737 6.118 1.00 0.00 H new ATOM 0 HG LEU A 81 -0.053 5.762 6.637 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.016 4.149 5.074 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.417 5.571 4.187 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.153 5.411 4.544 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.896 4.426 7.416 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.003 5.679 6.806 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.911 6.041 8.163 1.00 0.00 H new ATOM 591 N LYS A 82 1.010 10.384 6.277 1.00 0.00 N ATOM 592 CA LYS A 82 1.591 11.735 6.495 1.00 0.00 C ATOM 593 C LYS A 82 1.898 12.392 5.151 1.00 0.00 C ATOM 594 O LYS A 82 1.209 13.352 4.848 1.00 0.00 O ATOM 595 CB LYS A 82 2.888 11.557 7.294 1.00 0.00 C ATOM 596 CG LYS A 82 3.654 12.880 7.241 1.00 0.00 C ATOM 597 CD LYS A 82 4.007 13.279 8.676 1.00 0.00 C ATOM 598 CE LYS A 82 4.591 14.693 8.636 1.00 0.00 C ATOM 599 NZ LYS A 82 4.116 15.394 7.410 1.00 0.00 N ATOM 600 OXT LYS A 82 2.805 11.899 4.501 1.00 0.00 O ATOM 0 H LYS A 82 0.763 10.164 5.312 1.00 0.00 H new ATOM 0 HA LYS A 82 0.890 12.371 7.036 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.667 11.285 8.326 1.00 0.00 H new ATOM 0 HB3 LYS A 82 3.489 10.751 6.873 1.00 0.00 H new ATOM 0 HG2 LYS A 82 4.558 12.773 6.642 1.00 0.00 H new ATOM 0 HG3 LYS A 82 3.048 13.653 6.769 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.121 13.249 9.310 1.00 0.00 H new ATOM 0 HD3 LYS A 82 4.727 12.580 9.101 1.00 0.00 H new ATOM 0 HE2 LYS A 82 4.289 15.248 9.525 1.00 0.00 H new ATOM 0 HE3 LYS A 82 5.680 14.648 8.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 4.340 16.407 7.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 4.588 14.992 6.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 3.087 15.273 7.317 1.00 0.00 H new TER 601 LYS A 82 HETATM 602 FE HEM A 83 2.706 -3.601 -2.455 1.00 0.00 FE HETATM 603 CHA HEM A 83 3.335 -1.151 -4.701 1.00 0.00 C HETATM 604 CHB HEM A 83 -0.107 -1.987 -1.476 1.00 0.00 C HETATM 605 CHC HEM A 83 2.092 -6.039 -0.187 1.00 0.00 C HETATM 606 CHD HEM A 83 5.536 -5.200 -3.403 1.00 0.00 C HETATM 607 NA HEM A 83 1.796 -1.919 -2.985 1.00 0.00 N HETATM 608 C1A HEM A 83 2.196 -1.019 -3.934 1.00 0.00 C HETATM 609 C2A HEM A 83 1.311 0.039 -4.012 1.00 0.00 C HETATM 610 C3A HEM A 83 0.325 -0.199 -3.090 1.00 0.00 C HETATM 611 C4A HEM A 83 0.637 -1.396 -2.475 1.00 0.00 C HETATM 612 CMA HEM A 83 -0.880 0.686 -2.796 1.00 0.00 C HETATM 613 CAA HEM A 83 1.420 1.235 -4.942 1.00 0.00 C HETATM 614 CBA HEM A 83 1.070 0.808 -6.369 1.00 0.00 C HETATM 615 CGA HEM A 83 1.182 2.013 -7.304 1.00 0.00 C HETATM 616 O1A HEM A 83 0.945 1.887 -8.489 1.00 0.00 O HETATM 617 O2A HEM A 83 1.506 3.097 -6.861 1.00 0.00 O HETATM 618 NB HEM A 83 1.282 -3.945 -1.111 1.00 0.00 N HETATM 619 C1B HEM A 83 0.185 -3.172 -0.837 1.00 0.00 C HETATM 620 C2B HEM A 83 -0.581 -3.741 0.165 1.00 0.00 C HETATM 621 C3B HEM A 83 0.048 -4.901 0.534 1.00 0.00 C HETATM 622 C4B HEM A 83 1.181 -5.008 -0.253 1.00 0.00 C HETATM 623 CMB HEM A 83 -1.874 -3.183 0.746 1.00 0.00 C HETATM 624 CAB HEM A 83 -0.411 -5.883 1.604 1.00 0.00 C HETATM 625 CBB HEM A 83 -1.719 -6.526 1.136 1.00 0.00 C HETATM 626 NC HEM A 83 3.621 -5.278 -1.911 1.00 0.00 N HETATM 627 C1C HEM A 83 3.227 -6.172 -0.953 1.00 0.00 C HETATM 628 C2C HEM A 83 4.125 -7.216 -0.853 1.00 0.00 C HETATM 629 C3C HEM A 83 5.116 -6.975 -1.769 1.00 0.00 C HETATM 630 C4C HEM A 83 4.789 -5.792 -2.407 1.00 0.00 C HETATM 631 CMC HEM A 83 4.036 -8.403 0.097 1.00 0.00 C HETATM 632 CAC HEM A 83 6.342 -7.840 -2.034 1.00 0.00 C HETATM 633 CBC HEM A 83 5.871 -9.172 -2.620 1.00 0.00 C HETATM 634 ND HEM A 83 4.137 -3.252 -3.787 1.00 0.00 N HETATM 635 C1D HEM A 83 5.240 -4.020 -4.051 1.00 0.00 C HETATM 636 C2D HEM A 83 6.012 -3.448 -5.046 1.00 0.00 C HETATM 637 C3D HEM A 83 5.382 -2.289 -5.418 1.00 0.00 C HETATM 638 C4D HEM A 83 4.243 -2.186 -4.639 1.00 0.00 C HETATM 639 CMD HEM A 83 7.313 -3.998 -5.615 1.00 0.00 C HETATM 640 CAD HEM A 83 5.849 -1.302 -6.480 1.00 0.00 C HETATM 641 CBD HEM A 83 5.316 -1.736 -7.848 1.00 0.00 C HETATM 642 CGD HEM A 83 5.782 -0.743 -8.915 1.00 0.00 C HETATM 643 O1D HEM A 83 5.467 0.427 -8.835 1.00 0.00 O HETATM 644 O2D HEM A 83 6.467 -1.126 -9.843 1.00 0.00 O HETATM 0 HMA1 HEM A 83 -1.712 0.068 -2.459 1.00 0.00 H new HETATM 0 HMA2 HEM A 83 -1.168 1.221 -3.701 1.00 0.00 H new HETATM 0 HMA3 HEM A 83 -0.623 1.404 -2.017 1.00 0.00 H new HETATM 0 HMB1 HEM A 83 -1.860 -2.095 0.687 1.00 0.00 H new HETATM 0 HMB2 HEM A 83 -1.966 -3.489 1.788 1.00 0.00 H new HETATM 0 HMB3 HEM A 83 -2.723 -3.566 0.179 1.00 0.00 H new HETATM 0 HMC1 HEM A 83 4.509 -9.272 -0.361 1.00 0.00 H new HETATM 0 HMC2 HEM A 83 2.989 -8.626 0.303 1.00 0.00 H new HETATM 0 HMC3 HEM A 83 4.546 -8.162 1.030 1.00 0.00 H new HETATM 0 HMD1 HEM A 83 7.413 -3.692 -6.656 1.00 0.00 H new HETATM 0 HMD2 HEM A 83 7.305 -5.086 -5.556 1.00 0.00 H new HETATM 0 HMD3 HEM A 83 8.154 -3.610 -5.041 1.00 0.00 H new HETATM 0 HBB1 HEM A 83 -2.218 -7.265 1.763 1.00 0.00 H new HETATM 0 HBB2 HEM A 83 -2.151 -6.245 0.176 1.00 0.00 H new HETATM 0 HBC1 HEM A 83 6.599 -9.940 -2.882 1.00 0.00 H new HETATM 0 HBC2 HEM A 83 4.807 -9.353 -2.775 1.00 0.00 H new HETATM 0 HBA1 HEM A 83 0.059 0.402 -6.401 1.00 0.00 H new HETATM 0 HBA2 HEM A 83 1.742 0.015 -6.698 1.00 0.00 H new HETATM 0 HAA1 HEM A 83 2.431 1.642 -4.911 1.00 0.00 H new HETATM 0 HAA2 HEM A 83 0.747 2.027 -4.613 1.00 0.00 H new HETATM 0 HBD1 HEM A 83 4.227 -1.781 -7.828 1.00 0.00 H new HETATM 0 HBD2 HEM A 83 5.672 -2.738 -8.088 1.00 0.00 H new HETATM 0 HAD1 HEM A 83 6.938 -1.259 -6.499 1.00 0.00 H new HETATM 0 HAD2 HEM A 83 5.495 -0.299 -6.241 1.00 0.00 H new HETATM 0 HHA HEM A 83 3.534 -0.369 -5.418 1.00 0.00 H new HETATM 0 HHB HEM A 83 -1.004 -1.472 -1.165 1.00 0.00 H new HETATM 0 HHC HEM A 83 1.897 -6.818 0.535 1.00 0.00 H new HETATM 0 HHD HEM A 83 6.439 -5.709 -3.704 1.00 0.00 H new HETATM 0 HAB HEM A 83 0.104 -6.092 2.542 1.00 0.00 H new HETATM 0 HAC HEM A 83 7.377 -7.558 -1.839 1.00 0.00 H new CONECT 91 624 CONECT 107 632 CONECT 117 602 CONECT 432 602 CONECT 602 117 432 607 618 CONECT 602 626 634 CONECT 603 608 638 CONECT 604 611 619 CONECT 605 622 627 CONECT 606 630 635 CONECT 607 602 608 611 CONECT 608 603 607 609 CONECT 609 608 610 613 CONECT 610 609 611 612 CONECT 611 604 607 610 CONECT 612 610 CONECT 613 609 614 CONECT 614 613 615 CONECT 615 614 616 617 CONECT 616 615 CONECT 617 615 CONECT 618 602 619 622 CONECT 619 604 618 620 CONECT 620 619 621 623 CONECT 621 620 622 624 CONECT 622 605 618 621 CONECT 623 620 CONECT 624 91 621 625 CONECT 625 624 CONECT 626 602 627 630 CONECT 627 605 626 628 CONECT 628 627 629 631 CONECT 629 628 630 632 CONECT 630 606 626 629 CONECT 631 628 CONECT 632 107 629 633 CONECT 633 632 CONECT 634 602 635 638 CONECT 635 606 634 636 CONECT 636 635 637 639 CONECT 637 636 638 640 CONECT 638 603 634 637 CONECT 639 636 CONECT 640 637 641 CONECT 641 640 642 CONECT 642 641 643 644 CONECT 643 642 CONECT 644 642 END