USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 763 hydrogens (30 hets) HEADER ELECTRON TRANSPORT 09-OCT-97 1AW3 TITLE THE SOLUTION NMR STRUCTURE OF OXIDIZED RAT MICROSOMAL TITLE 2 CYTOCHROME B5, MINIMIZED AVERAGE STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: CYTOCHROME B5; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: SOLUBLE DOMAIN; COMPND 5 ENGINEERED: YES; COMPND 6 OTHER_DETAILS: FROM RAT MICROSOMAL MEMBRANE SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; SOURCE 3 ORGANISM_COMMON: NORWAY RAT; SOURCE 4 ORGANISM_TAXID: 10116; SOURCE 5 ORGAN: LIVER; SOURCE 6 ORGANELLE: MICROSOME; SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 8 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 9 EXPRESSION_SYSTEM_STRAIN: NM522; SOURCE 0 EXPRESSION_SYSTEM_CELLULAR_LOCATION: CYTOPLASM; SOURCE 1 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 2 EXPRESSION_SYSTEM_PLASMID: PUC 13; SOURCE 3 OTHER_DETAILS: CLONING VECTOR PUC13 KEYWDS CYTOCHROME B5, PROTEIN RECOGNITION, ELECTRON TRANSPORT, KEYWDS 2 SOLUTION STRUCTURE, PARAMAGNETIC NMR EXPDTA SOLUTION NMR AUTHOR F.ARNESANO,L.BANCI,I.BERTINI,I.C.FELLI REVDAT 2 24-FEB-09 1AW3 1 VERSN REVDAT 1 04-FEB-98 1AW3 0 JRNL AUTH F.ARNESANO,L.BANCI,I.BERTINI,I.C.FELLI JRNL TITL THE SOLUTION STRUCTURE OF OXIDIZED RAT MICROSOMAL JRNL TITL 2 CYTOCHROME B5. JRNL REF BIOCHEMISTRY V. 37 173 1998 JRNL REFN ISSN 0006-2960 JRNL PMID 9425037 JRNL DOI 10.1021/BI971896W REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : AMBER REMARK 3 AUTHORS : PEARLMAN,CASE,CALDWELL,ROSS,CHEATHAM, FERGUSON, REMARK 3 SEIBEL,SINGH,WEINER,KOLLMAN REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: PSEUDOREM (BANCI,BERTINI, GORI REMARK 3 SAVELLINI,ROMAGNOLI,TURANO,CREMONINI,LUCHINAT, GRAY) ALSO WAS REMARK 3 USED. REMARK 4 REMARK 4 1AW3 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) : 298 REMARK 210 PH : 7 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY, TOCSY, 1D NOE REMARK 210 SPECTROMETER FIELD STRENGTH : 800 MHZ REMARK 210 SPECTROMETER MODEL : AVANCE 800 MHZ REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : DYANA, PSEUDYANA, AMBER REMARK 210 METHOD USED : TORSION ANGLE MOLECULAR REMARK 210 DYNAMICS SIMULATED ANNEALING, REMARK 210 RESTRAINED ENERGY REMARK 210 MINIMIZATION; PSEUDOCONTACT REMARK 210 SHIFTS WERE USED IN THE REMARK 210 CALCULATION AND IN THE REMARK 210 MINIMIZATION AS FURTHER NON- REMARK 210 CLASSICAL CONSTRAINTS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 40 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : MINIMIZED AVERAGE 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: 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 2 -77.92 70.45 REMARK 500 ASP A 3 -66.60 -98.48 REMARK 500 VAL A 4 -146.84 -138.63 REMARK 500 ASP A 17 -169.52 -74.82 REMARK 500 SER A 18 -58.68 -7.91 REMARK 500 LYS A 19 38.87 -154.03 REMARK 500 HIS A 27 -7.89 70.46 REMARK 500 GLN A 49 -76.15 -79.70 REMARK 500 ALA A 50 161.87 51.62 REMARK 500 ASP A 53 70.32 -68.06 REMARK 500 HIS A 63 138.47 69.25 REMARK 500 SER A 91 71.07 -69.76 REMARK 500 GLU A 92 147.45 61.52 REMARK 500 THR A 93 126.43 134.92 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS REMARK 500 REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH REMARK 500 CIS AND TRANS CONFORMATION. CIS BONDS, IF ANY, ARE LISTED REMARK 500 ON CISPEP RECORDS. TRANS IS DEFINED AS 180 +/- 30 AND REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES. REMARK 500 MODEL OMEGA REMARK 500 ASP A 1 LYS A 2 136.86 REMARK 500 LYS A 2 ASP A 3 -126.38 REMARK 500 ALA A 88 LYS A 89 -140.07 REMARK 500 PRO A 90 SER A 91 149.03 REMARK 500 SER A 91 GLU A 92 129.11 REMARK 500 GLU A 92 THR A 93 111.69 REMARK 500 THR A 93 LEU A 94 148.91 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 TYR A 6 0.10 SIDE_CHAIN REMARK 500 TYR A 74 0.09 SIDE_CHAIN REMARK 500 ARG A 84 0.14 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CHIRAL CENTERS REMARK 500 REMARK 500 UNEXPECTED CONFIGURATION OF THE FOLLOWING CHIRAL REMARK 500 CENTER(S) USING IMPROPER CA--C--CB--N CHIRALITY REMARK 500 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: (11X,I3,1X,A3,1X,A1,I4,A1,6X,F5.1,6X,A1,10X,A1,3X,A16) REMARK 500 REMARK 500 M RES CSSEQI IMPROPER EXPECTED FOUND DETAILS REMARK 500 ASP A 1 131.0 ALPHA-CARBON 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 96 FE REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS A 39 NE2 REMARK 620 2 HIS A 63 NE2 174.0 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 96 DBREF 1AW3 A 1 94 UNP P00173 CYB5_RAT 5 98 SEQRES 1 A 94 ASP LYS ASP VAL LYS TYR TYR THR LEU GLU GLU ILE GLN SEQRES 2 A 94 LYS HIS LYS ASP SER LYS SER THR TRP VAL ILE LEU HIS SEQRES 3 A 94 HIS LYS VAL TYR ASP LEU THR LYS PHE LEU GLU GLU HIS SEQRES 4 A 94 PRO GLY GLY GLU GLU VAL LEU ARG GLU GLN ALA GLY GLY SEQRES 5 A 94 ASP ALA THR GLU ASN PHE GLU ASP VAL GLY HIS SER THR SEQRES 6 A 94 ASP ALA ARG GLU LEU SER LYS THR TYR ILE ILE GLY GLU SEQRES 7 A 94 LEU HIS PRO ASP ASP ARG SER LYS ILE ALA LYS PRO SER SEQRES 8 A 94 GLU THR LEU HET HEM A 96 73 HETNAM HEM PROTOPORPHYRIN IX CONTAINING FE HETSYN HEM HEME FORMUL 2 HEM C34 H32 FE N4 O4 HELIX 1 1 THR A 8 LYS A 14 1 7 HELIX 2 2 THR A 33 HIS A 39 5 7 HELIX 3 3 GLY A 42 ALA A 50 1 9 HELIX 4 4 ALA A 54 GLY A 62 1 9 HELIX 5 5 SER A 64 TYR A 74 1 11 HELIX 6 6 PRO A 81 ILE A 87 1 7 SHEET 1 A 4 THR A 21 LEU A 25 0 SHEET 2 A 4 LYS A 28 LEU A 32 -1 N TYR A 30 O VAL A 23 SHEET 3 A 4 ILE A 75 GLU A 78 -1 N GLY A 77 O VAL A 29 SHEET 4 A 4 LYS A 5 TYR A 7 1 N TYR A 7 O GLU A 78 LINK FE HEM A 96 NE2 HIS A 39 1555 1555 1.98 LINK FE HEM A 96 NE2 HIS A 63 1555 1555 2.00 SITE *** AC1 13 LEU A 25 LEU A 32 PHE A 35 HIS A 39 SITE *** AC1 13 PRO A 40 VAL A 45 LEU A 46 ALA A 54 SITE *** AC1 13 ASN A 57 PHE A 58 HIS A 63 ALA A 67 SITE *** AC1 13 SER A 71 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 39 HIS HE2 : A 39 HIS NE2 : A 96 HEMFE :(H bumps) USER MOD NoAdj-H: A 63 HIS HE2 : A 63 HIS NE2 : A 96 HEMFE :(H bumps) USER MOD Set 1.1: A 71 SER OG : rot 50:sc= -0.0302 USER MOD Set 1.2: A 96 HEM CMB :methyl 150:sc= -0.275 (180deg=-0.275) USER MOD Set 2.1: A 15 HIS : no HD1:sc= 0.975 K(o=2.3,f=-6.9!) USER MOD Set 2.2: A 20 SER OG : rot -155:sc= 1.3 USER MOD Single : A 1 ASP N :NH3+ -102:sc= 0.207 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 172:sc= 1.11 (180deg=0.956) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 18:sc= 1.27 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0338 USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 14 LYS NZ :NH3+ -175:sc= 0.649 (180deg=0.575) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot -90:sc= 0 USER MOD Single : A 26 HIS : no HE2:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 27 HIS : no HD1:sc= -0.565 X(o=-0.56,f=-0.084) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 123:sc= 0.479 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0843 K(o=-0.084,f=-1.3) USER MOD Single : A 55 THR OG1 : rot 40:sc= 0.572 USER MOD Single : A 57 ASN : amide:sc= -0.415 K(o=-0.42,f=-2.1) USER MOD Single : A 64 SER OG : rot 180:sc= 0.0642 USER MOD Single : A 65 THR OG1 : rot 102:sc= 0.0648 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot -121:sc= 1.11 USER MOD Single : A 80 HIS : no HD1:sc= -0.751 K(o=-0.75,f=-2.4!) USER MOD Single : A 85 SER OG : rot -33:sc= 0.286 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 151:sc= 1.24 (180deg=0.387) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot -65:sc= 1.13 USER MOD Single : A 96 HEM CMA :methyl -30:sc= -0.329 (180deg=-0.709) USER MOD Single : A 96 HEM CMC :methyl -30:sc= -1.42 (180deg=-4.54!) USER MOD Single : A 96 HEM CMD :methyl -30:sc= -1.84 (180deg=-4.78!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 2.344 -14.791 -13.540 1.00 0.00 N ATOM 2 CA ASP A 1 2.871 -14.446 -14.867 1.00 0.00 C ATOM 3 C ASP A 1 2.465 -13.027 -15.225 1.00 0.00 C ATOM 4 O ASP A 1 1.653 -12.461 -14.497 1.00 0.00 O ATOM 5 CB ASP A 1 4.363 -14.780 -15.020 1.00 0.00 C ATOM 6 CG ASP A 1 4.567 -16.281 -15.143 1.00 0.00 C ATOM 7 OD1 ASP A 1 3.650 -16.916 -15.711 1.00 0.00 O ATOM 8 OD2 ASP A 1 5.621 -16.758 -14.689 1.00 0.00 O ATOM 0 H1 ASP A 1 3.107 -14.726 -12.836 1.00 0.00 H new ATOM 0 H2 ASP A 1 1.581 -14.131 -13.287 1.00 0.00 H new ATOM 0 H3 ASP A 1 1.970 -15.761 -13.556 1.00 0.00 H new ATOM 0 HA ASP A 1 2.413 -15.086 -15.621 1.00 0.00 H new ATOM 0 HB2 ASP A 1 4.764 -14.280 -15.901 1.00 0.00 H new ATOM 0 HB3 ASP A 1 4.916 -14.402 -14.160 1.00 0.00 H new ATOM 15 N LYS A 2 2.888 -12.561 -16.403 1.00 0.00 N ATOM 16 CA LYS A 2 2.062 -11.795 -17.330 1.00 0.00 C ATOM 17 C LYS A 2 1.733 -10.378 -16.849 1.00 0.00 C ATOM 18 O LYS A 2 2.222 -9.397 -17.402 1.00 0.00 O ATOM 19 CB LYS A 2 0.732 -12.527 -17.625 1.00 0.00 C ATOM 20 CG LYS A 2 0.665 -13.615 -18.705 1.00 0.00 C ATOM 21 CD LYS A 2 1.102 -15.029 -18.295 1.00 0.00 C ATOM 22 CE LYS A 2 2.593 -15.278 -18.568 1.00 0.00 C ATOM 23 NZ LYS A 2 3.015 -16.648 -18.208 1.00 0.00 N ATOM 0 H LYS A 2 3.838 -12.711 -16.743 1.00 0.00 H new ATOM 0 HA LYS A 2 2.667 -11.708 -18.232 1.00 0.00 H new ATOM 0 HB2 LYS A 2 0.400 -12.980 -16.691 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -0.002 -11.766 -17.889 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -0.361 -13.669 -19.069 1.00 0.00 H new ATOM 0 HG3 LYS A 2 1.284 -13.299 -19.544 1.00 0.00 H new ATOM 0 HD2 LYS A 2 0.899 -15.177 -17.234 1.00 0.00 H new ATOM 0 HD3 LYS A 2 0.507 -15.763 -18.839 1.00 0.00 H new ATOM 0 HE2 LYS A 2 2.799 -15.104 -19.624 1.00 0.00 H new ATOM 0 HE3 LYS A 2 3.187 -14.559 -18.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 3.989 -16.808 -18.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 2.973 -16.764 -17.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 2.380 -17.337 -18.660 1.00 0.00 H new ATOM 37 N ASP A 3 0.773 -10.304 -15.931 1.00 0.00 N ATOM 38 CA ASP A 3 -0.388 -9.443 -16.110 1.00 0.00 C ATOM 39 C ASP A 3 -0.190 -8.142 -15.355 1.00 0.00 C ATOM 40 O ASP A 3 -0.095 -7.051 -15.910 1.00 0.00 O ATOM 41 CB ASP A 3 -1.628 -10.185 -15.567 1.00 0.00 C ATOM 42 CG ASP A 3 -2.094 -11.319 -16.465 1.00 0.00 C ATOM 43 OD1 ASP A 3 -2.363 -11.036 -17.651 1.00 0.00 O ATOM 44 OD2 ASP A 3 -2.140 -12.459 -15.953 1.00 0.00 O ATOM 0 H ASP A 3 0.778 -10.830 -15.057 1.00 0.00 H new ATOM 0 HA ASP A 3 -0.523 -9.210 -17.166 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -1.399 -10.584 -14.579 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -2.443 -9.472 -15.442 1.00 0.00 H new ATOM 49 N VAL A 4 -0.167 -8.322 -14.045 1.00 0.00 N ATOM 50 CA VAL A 4 0.001 -7.335 -13.006 1.00 0.00 C ATOM 51 C VAL A 4 0.942 -8.051 -12.027 1.00 0.00 C ATOM 52 O VAL A 4 1.744 -8.878 -12.462 1.00 0.00 O ATOM 53 CB VAL A 4 -1.391 -6.917 -12.448 1.00 0.00 C ATOM 54 CG1 VAL A 4 -1.548 -5.396 -12.544 1.00 0.00 C ATOM 55 CG2 VAL A 4 -2.590 -7.550 -13.176 1.00 0.00 C ATOM 0 H VAL A 4 -0.277 -9.256 -13.650 1.00 0.00 H new ATOM 0 HA VAL A 4 0.432 -6.379 -13.305 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.405 -7.277 -11.419 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -2.523 -5.105 -12.153 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -0.764 -4.912 -11.961 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -1.468 -5.087 -13.586 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -3.517 -7.203 -12.720 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -2.572 -7.261 -14.227 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -2.532 -8.636 -13.097 1.00 0.00 H new ATOM 65 N LYS A 5 0.836 -7.823 -10.720 1.00 0.00 N ATOM 66 CA LYS A 5 1.459 -8.689 -9.734 1.00 0.00 C ATOM 67 C LYS A 5 0.415 -9.129 -8.707 1.00 0.00 C ATOM 68 O LYS A 5 0.288 -8.562 -7.626 1.00 0.00 O ATOM 69 CB LYS A 5 2.728 -8.059 -9.151 1.00 0.00 C ATOM 70 CG LYS A 5 3.953 -8.157 -10.082 1.00 0.00 C ATOM 71 CD LYS A 5 4.462 -6.784 -10.540 1.00 0.00 C ATOM 72 CE LYS A 5 5.693 -6.913 -11.457 1.00 0.00 C ATOM 73 NZ LYS A 5 6.882 -6.221 -10.915 1.00 0.00 N ATOM 0 H LYS A 5 0.320 -7.039 -10.322 1.00 0.00 H new ATOM 0 HA LYS A 5 1.819 -9.602 -10.208 1.00 0.00 H new ATOM 0 HB2 LYS A 5 2.534 -7.009 -8.930 1.00 0.00 H new ATOM 0 HB3 LYS A 5 2.963 -8.546 -8.204 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.756 -8.683 -9.565 1.00 0.00 H new ATOM 0 HG3 LYS A 5 3.692 -8.753 -10.956 1.00 0.00 H new ATOM 0 HD2 LYS A 5 3.667 -6.258 -11.069 1.00 0.00 H new ATOM 0 HD3 LYS A 5 4.718 -6.181 -9.669 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.925 -7.968 -11.600 1.00 0.00 H new ATOM 0 HE3 LYS A 5 5.455 -6.503 -12.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 7.681 -6.339 -11.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 6.673 -5.208 -10.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 7.129 -6.628 -9.991 1.00 0.00 H new ATOM 87 N TYR A 6 -0.365 -10.145 -9.076 1.00 0.00 N ATOM 88 CA TYR A 6 -1.312 -10.779 -8.178 1.00 0.00 C ATOM 89 C TYR A 6 -0.560 -11.413 -7.009 1.00 0.00 C ATOM 90 O TYR A 6 0.034 -12.477 -7.174 1.00 0.00 O ATOM 91 CB TYR A 6 -2.137 -11.810 -8.956 1.00 0.00 C ATOM 92 CG TYR A 6 -3.201 -11.184 -9.833 1.00 0.00 C ATOM 93 CD1 TYR A 6 -4.251 -10.487 -9.215 1.00 0.00 C ATOM 94 CD2 TYR A 6 -3.164 -11.285 -11.238 1.00 0.00 C ATOM 95 CE1 TYR A 6 -5.240 -9.870 -9.988 1.00 0.00 C ATOM 96 CE2 TYR A 6 -4.128 -10.611 -12.014 1.00 0.00 C ATOM 97 CZ TYR A 6 -5.115 -9.831 -11.383 1.00 0.00 C ATOM 98 OH TYR A 6 -5.903 -8.982 -12.098 1.00 0.00 O ATOM 0 H TYR A 6 -0.353 -10.549 -10.013 1.00 0.00 H new ATOM 0 HA TYR A 6 -2.001 -10.040 -7.768 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -1.469 -12.407 -9.577 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -2.612 -12.493 -8.251 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -4.295 -10.427 -8.138 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -2.399 -11.877 -11.719 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -6.100 -9.424 -9.510 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -4.109 -10.693 -13.091 1.00 0.00 H new ATOM 0 HH TYR A 6 -6.267 -8.294 -11.503 1.00 0.00 H new ATOM 108 N TYR A 7 -0.572 -10.759 -5.845 1.00 0.00 N ATOM 109 CA TYR A 7 0.114 -11.231 -4.648 1.00 0.00 C ATOM 110 C TYR A 7 -0.913 -11.692 -3.618 1.00 0.00 C ATOM 111 O TYR A 7 -2.000 -11.123 -3.511 1.00 0.00 O ATOM 112 CB TYR A 7 1.012 -10.131 -4.071 1.00 0.00 C ATOM 113 CG TYR A 7 2.223 -9.768 -4.904 1.00 0.00 C ATOM 114 CD1 TYR A 7 3.210 -10.738 -5.161 1.00 0.00 C ATOM 115 CD2 TYR A 7 2.442 -8.431 -5.289 1.00 0.00 C ATOM 116 CE1 TYR A 7 4.390 -10.385 -5.836 1.00 0.00 C ATOM 117 CE2 TYR A 7 3.639 -8.073 -5.932 1.00 0.00 C ATOM 118 CZ TYR A 7 4.602 -9.052 -6.225 1.00 0.00 C ATOM 119 OH TYR A 7 5.716 -8.719 -6.938 1.00 0.00 O ATOM 0 H TYR A 7 -1.065 -9.877 -5.710 1.00 0.00 H new ATOM 0 HA TYR A 7 0.751 -12.075 -4.911 1.00 0.00 H new ATOM 0 HB2 TYR A 7 0.410 -9.234 -3.928 1.00 0.00 H new ATOM 0 HB3 TYR A 7 1.353 -10.446 -3.085 1.00 0.00 H new ATOM 0 HD1 TYR A 7 3.059 -11.757 -4.838 1.00 0.00 H new ATOM 0 HD2 TYR A 7 1.690 -7.681 -5.090 1.00 0.00 H new ATOM 0 HE1 TYR A 7 5.133 -11.137 -6.056 1.00 0.00 H new ATOM 0 HE2 TYR A 7 3.819 -7.043 -6.201 1.00 0.00 H new ATOM 0 HH TYR A 7 5.708 -7.757 -7.127 1.00 0.00 H new ATOM 129 N THR A 8 -0.582 -12.748 -2.876 1.00 0.00 N ATOM 130 CA THR A 8 -1.447 -13.308 -1.858 1.00 0.00 C ATOM 131 C THR A 8 -1.290 -12.517 -0.559 1.00 0.00 C ATOM 132 O THR A 8 -0.296 -11.820 -0.346 1.00 0.00 O ATOM 133 CB THR A 8 -1.067 -14.782 -1.660 1.00 0.00 C ATOM 134 OG1 THR A 8 0.327 -14.857 -1.449 1.00 0.00 O ATOM 135 CG2 THR A 8 -1.423 -15.617 -2.893 1.00 0.00 C ATOM 0 H THR A 8 0.307 -13.239 -2.972 1.00 0.00 H new ATOM 0 HA THR A 8 -2.492 -13.246 -2.162 1.00 0.00 H new ATOM 0 HB THR A 8 -1.619 -15.176 -0.806 1.00 0.00 H new ATOM 0 HG1 THR A 8 0.588 -15.792 -1.319 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.142 -16.656 -2.722 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.496 -15.557 -3.076 1.00 0.00 H new ATOM 0 HG23 THR A 8 -0.885 -15.233 -3.760 1.00 0.00 H new ATOM 143 N LEU A 9 -2.282 -12.646 0.323 1.00 0.00 N ATOM 144 CA LEU A 9 -2.326 -11.933 1.583 1.00 0.00 C ATOM 145 C LEU A 9 -1.047 -12.222 2.367 1.00 0.00 C ATOM 146 O LEU A 9 -0.354 -11.294 2.769 1.00 0.00 O ATOM 147 CB LEU A 9 -3.580 -12.347 2.368 1.00 0.00 C ATOM 148 CG LEU A 9 -4.929 -11.848 1.810 1.00 0.00 C ATOM 149 CD1 LEU A 9 -5.073 -10.325 1.854 1.00 0.00 C ATOM 150 CD2 LEU A 9 -5.238 -12.309 0.384 1.00 0.00 C ATOM 0 H LEU A 9 -3.084 -13.258 0.173 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.384 -10.859 1.409 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.611 -13.436 2.415 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.478 -11.986 3.391 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.650 -12.310 2.485 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.043 -10.039 1.447 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.997 -9.982 2.886 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.282 -9.867 1.260 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.205 -11.911 0.075 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.463 -11.946 -0.292 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.267 -13.398 0.352 1.00 0.00 H new ATOM 162 N GLU A 10 -0.714 -13.505 2.549 1.00 0.00 N ATOM 163 CA GLU A 10 0.455 -13.907 3.321 1.00 0.00 C ATOM 164 C GLU A 10 1.741 -13.293 2.752 1.00 0.00 C ATOM 165 O GLU A 10 2.567 -12.774 3.503 1.00 0.00 O ATOM 166 CB GLU A 10 0.560 -15.439 3.390 1.00 0.00 C ATOM 167 CG GLU A 10 1.090 -15.858 4.766 1.00 0.00 C ATOM 168 CD GLU A 10 1.721 -17.238 4.724 1.00 0.00 C ATOM 169 OE1 GLU A 10 0.961 -18.225 4.689 1.00 0.00 O ATOM 170 OE2 GLU A 10 2.973 -17.267 4.719 1.00 0.00 O ATOM 0 H GLU A 10 -1.247 -14.285 2.166 1.00 0.00 H new ATOM 0 HA GLU A 10 0.331 -13.527 4.335 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.417 -15.889 3.213 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.225 -15.803 2.607 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.826 -15.131 5.110 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.274 -15.852 5.488 1.00 0.00 H new ATOM 177 N GLU A 11 1.910 -13.351 1.424 1.00 0.00 N ATOM 178 CA GLU A 11 3.057 -12.764 0.744 1.00 0.00 C ATOM 179 C GLU A 11 3.146 -11.287 1.129 1.00 0.00 C ATOM 180 O GLU A 11 4.137 -10.824 1.689 1.00 0.00 O ATOM 181 CB GLU A 11 2.903 -12.944 -0.776 1.00 0.00 C ATOM 182 CG GLU A 11 4.169 -12.548 -1.564 1.00 0.00 C ATOM 183 CD GLU A 11 5.015 -13.719 -2.064 1.00 0.00 C ATOM 184 OE1 GLU A 11 4.655 -14.881 -1.778 1.00 0.00 O ATOM 185 OE2 GLU A 11 6.018 -13.421 -2.746 1.00 0.00 O ATOM 0 H GLU A 11 1.250 -13.809 0.796 1.00 0.00 H new ATOM 0 HA GLU A 11 3.980 -13.260 1.044 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.660 -13.985 -0.990 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.063 -12.343 -1.124 1.00 0.00 H new ATOM 0 HG2 GLU A 11 3.871 -11.944 -2.421 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.790 -11.916 -0.929 1.00 0.00 H new ATOM 192 N ILE A 12 2.073 -10.540 0.878 1.00 0.00 N ATOM 193 CA ILE A 12 2.052 -9.115 1.165 1.00 0.00 C ATOM 194 C ILE A 12 2.330 -8.868 2.653 1.00 0.00 C ATOM 195 O ILE A 12 3.044 -7.934 3.006 1.00 0.00 O ATOM 196 CB ILE A 12 0.717 -8.521 0.704 1.00 0.00 C ATOM 197 CG1 ILE A 12 0.539 -8.715 -0.812 1.00 0.00 C ATOM 198 CG2 ILE A 12 0.672 -7.028 1.030 1.00 0.00 C ATOM 199 CD1 ILE A 12 -0.918 -8.546 -1.238 1.00 0.00 C ATOM 0 H ILE A 12 1.208 -10.902 0.476 1.00 0.00 H new ATOM 0 HA ILE A 12 2.844 -8.609 0.612 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.089 -9.035 1.227 1.00 0.00 H new ATOM 0 HG12 ILE A 12 1.160 -7.995 -1.346 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.888 -9.708 -1.095 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.280 -6.612 0.700 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.776 -6.887 2.106 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.488 -6.519 0.517 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.001 -8.691 -2.315 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.535 -9.283 -0.724 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.259 -7.544 -0.979 1.00 0.00 H new ATOM 211 N GLN A 13 1.806 -9.727 3.528 1.00 0.00 N ATOM 212 CA GLN A 13 2.013 -9.641 4.965 1.00 0.00 C ATOM 213 C GLN A 13 3.487 -9.805 5.356 1.00 0.00 C ATOM 214 O GLN A 13 3.904 -9.274 6.386 1.00 0.00 O ATOM 215 CB GLN A 13 1.100 -10.644 5.684 1.00 0.00 C ATOM 216 CG GLN A 13 0.679 -10.138 7.068 1.00 0.00 C ATOM 217 CD GLN A 13 -0.174 -11.160 7.817 1.00 0.00 C ATOM 218 OE1 GLN A 13 -0.323 -12.301 7.394 1.00 0.00 O ATOM 219 NE2 GLN A 13 -0.743 -10.764 8.952 1.00 0.00 N ATOM 0 H GLN A 13 1.218 -10.512 3.249 1.00 0.00 H new ATOM 0 HA GLN A 13 1.739 -8.637 5.289 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.213 -10.827 5.078 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.618 -11.598 5.787 1.00 0.00 H new ATOM 0 HG2 GLN A 13 1.568 -9.908 7.655 1.00 0.00 H new ATOM 0 HG3 GLN A 13 0.119 -9.209 6.959 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -0.606 -9.810 9.286 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -1.317 -11.414 9.489 1.00 0.00 H new ATOM 228 N LYS A 14 4.291 -10.510 4.548 1.00 0.00 N ATOM 229 CA LYS A 14 5.735 -10.545 4.752 1.00 0.00 C ATOM 230 C LYS A 14 6.301 -9.145 4.471 1.00 0.00 C ATOM 231 O LYS A 14 7.145 -8.646 5.217 1.00 0.00 O ATOM 232 CB LYS A 14 6.404 -11.607 3.852 1.00 0.00 C ATOM 233 CG LYS A 14 6.817 -12.916 4.541 1.00 0.00 C ATOM 234 CD LYS A 14 5.656 -13.883 4.833 1.00 0.00 C ATOM 235 CE LYS A 14 6.204 -15.323 4.867 1.00 0.00 C ATOM 236 NZ LYS A 14 5.220 -16.321 5.339 1.00 0.00 N ATOM 0 H LYS A 14 3.963 -11.059 3.753 1.00 0.00 H new ATOM 0 HA LYS A 14 5.949 -10.827 5.783 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.719 -11.849 3.040 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.291 -11.163 3.399 1.00 0.00 H new ATOM 0 HG2 LYS A 14 7.548 -13.426 3.913 1.00 0.00 H new ATOM 0 HG3 LYS A 14 7.316 -12.675 5.480 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.189 -13.635 5.786 1.00 0.00 H new ATOM 0 HD3 LYS A 14 4.886 -13.790 4.067 1.00 0.00 H new ATOM 0 HE2 LYS A 14 6.538 -15.599 3.867 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.080 -15.354 5.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 5.679 -17.251 5.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 4.855 -16.035 6.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 4.433 -16.379 4.662 1.00 0.00 H new ATOM 250 N HIS A 15 5.831 -8.501 3.399 1.00 0.00 N ATOM 251 CA HIS A 15 6.279 -7.183 2.962 1.00 0.00 C ATOM 252 C HIS A 15 5.746 -6.055 3.865 1.00 0.00 C ATOM 253 O HIS A 15 4.981 -5.189 3.433 1.00 0.00 O ATOM 254 CB HIS A 15 5.894 -6.982 1.491 1.00 0.00 C ATOM 255 CG HIS A 15 6.772 -7.716 0.510 1.00 0.00 C ATOM 256 ND1 HIS A 15 7.856 -7.181 -0.147 1.00 0.00 N ATOM 257 CD2 HIS A 15 6.601 -8.992 0.042 1.00 0.00 C ATOM 258 CE1 HIS A 15 8.336 -8.120 -0.977 1.00 0.00 C ATOM 259 NE2 HIS A 15 7.606 -9.243 -0.896 1.00 0.00 N ATOM 0 H HIS A 15 5.109 -8.896 2.797 1.00 0.00 H new ATOM 0 HA HIS A 15 7.364 -7.135 3.050 1.00 0.00 H new ATOM 0 HB2 HIS A 15 4.863 -7.307 1.351 1.00 0.00 H new ATOM 0 HB3 HIS A 15 5.926 -5.917 1.262 1.00 0.00 H new ATOM 0 HD2 HIS A 15 5.827 -9.682 0.344 1.00 0.00 H new ATOM 0 HE1 HIS A 15 9.193 -7.990 -1.622 1.00 0.00 H new ATOM 0 HE2 HIS A 15 7.755 -10.108 -1.416 1.00 0.00 H new ATOM 267 N LYS A 16 6.210 -6.035 5.120 1.00 0.00 N ATOM 268 CA LYS A 16 6.056 -4.901 6.030 1.00 0.00 C ATOM 269 C LYS A 16 7.330 -4.565 6.814 1.00 0.00 C ATOM 270 O LYS A 16 7.310 -3.658 7.649 1.00 0.00 O ATOM 271 CB LYS A 16 4.918 -5.182 7.019 1.00 0.00 C ATOM 272 CG LYS A 16 5.275 -6.237 8.073 1.00 0.00 C ATOM 273 CD LYS A 16 4.165 -6.301 9.126 1.00 0.00 C ATOM 274 CE LYS A 16 4.738 -6.884 10.424 1.00 0.00 C ATOM 275 NZ LYS A 16 3.688 -7.104 11.435 1.00 0.00 N ATOM 0 H LYS A 16 6.711 -6.821 5.536 1.00 0.00 H new ATOM 0 HA LYS A 16 5.829 -4.037 5.406 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.646 -4.254 7.522 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.039 -5.514 6.466 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.400 -7.211 7.600 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.225 -5.988 8.545 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.761 -5.305 9.307 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.342 -6.919 8.767 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.239 -7.828 10.209 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.492 -6.207 10.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.114 -7.499 12.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.227 -6.199 11.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.981 -7.770 11.062 1.00 0.00 H new ATOM 289 N ASP A 17 8.390 -5.362 6.653 1.00 0.00 N ATOM 290 CA ASP A 17 9.520 -5.368 7.569 1.00 0.00 C ATOM 291 C ASP A 17 10.381 -4.118 7.341 1.00 0.00 C ATOM 292 O ASP A 17 9.983 -3.221 6.598 1.00 0.00 O ATOM 293 CB ASP A 17 10.284 -6.691 7.354 1.00 0.00 C ATOM 294 CG ASP A 17 11.350 -6.987 8.403 1.00 0.00 C ATOM 295 OD1 ASP A 17 11.341 -6.284 9.438 1.00 0.00 O ATOM 296 OD2 ASP A 17 12.204 -7.848 8.117 1.00 0.00 O ATOM 0 H ASP A 17 8.483 -6.021 5.880 1.00 0.00 H new ATOM 0 HA ASP A 17 9.203 -5.324 8.611 1.00 0.00 H new ATOM 0 HB2 ASP A 17 9.567 -7.512 7.343 1.00 0.00 H new ATOM 0 HB3 ASP A 17 10.756 -6.667 6.372 1.00 0.00 H new ATOM 301 N SER A 18 11.568 -4.089 7.955 1.00 0.00 N ATOM 302 CA SER A 18 12.696 -3.193 7.746 1.00 0.00 C ATOM 303 C SER A 18 12.541 -2.267 6.537 1.00 0.00 C ATOM 304 O SER A 18 12.621 -1.048 6.694 1.00 0.00 O ATOM 305 CB SER A 18 13.983 -4.029 7.644 1.00 0.00 C ATOM 306 OG SER A 18 15.123 -3.189 7.643 1.00 0.00 O ATOM 0 H SER A 18 11.778 -4.767 8.687 1.00 0.00 H new ATOM 0 HA SER A 18 12.744 -2.524 8.606 1.00 0.00 H new ATOM 0 HB2 SER A 18 14.038 -4.725 8.481 1.00 0.00 H new ATOM 0 HB3 SER A 18 13.964 -4.627 6.733 1.00 0.00 H new ATOM 0 HG SER A 18 15.933 -3.737 7.579 1.00 0.00 H new ATOM 312 N LYS A 19 12.370 -2.840 5.336 1.00 0.00 N ATOM 313 CA LYS A 19 12.611 -2.110 4.105 1.00 0.00 C ATOM 314 C LYS A 19 11.811 -2.636 2.910 1.00 0.00 C ATOM 315 O LYS A 19 12.324 -2.660 1.794 1.00 0.00 O ATOM 316 CB LYS A 19 14.123 -2.177 3.852 1.00 0.00 C ATOM 317 CG LYS A 19 14.638 -0.902 3.190 1.00 0.00 C ATOM 318 CD LYS A 19 16.167 -0.939 3.242 1.00 0.00 C ATOM 319 CE LYS A 19 16.745 0.381 2.728 1.00 0.00 C ATOM 320 NZ LYS A 19 18.215 0.412 2.862 1.00 0.00 N ATOM 0 H LYS A 19 12.066 -3.805 5.202 1.00 0.00 H new ATOM 0 HA LYS A 19 12.268 -1.081 4.217 1.00 0.00 H new ATOM 0 HB2 LYS A 19 14.644 -2.333 4.797 1.00 0.00 H new ATOM 0 HB3 LYS A 19 14.349 -3.034 3.218 1.00 0.00 H new ATOM 0 HG2 LYS A 19 14.291 -0.839 2.159 1.00 0.00 H new ATOM 0 HG3 LYS A 19 14.258 -0.021 3.708 1.00 0.00 H new ATOM 0 HD2 LYS A 19 16.499 -1.116 4.265 1.00 0.00 H new ATOM 0 HD3 LYS A 19 16.539 -1.767 2.638 1.00 0.00 H new ATOM 0 HE2 LYS A 19 16.470 0.518 1.682 1.00 0.00 H new ATOM 0 HE3 LYS A 19 16.310 1.212 3.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 18.577 1.319 2.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 18.475 0.305 3.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 18.630 -0.367 2.312 1.00 0.00 H new ATOM 334 N SER A 20 10.553 -3.033 3.116 1.00 0.00 N ATOM 335 CA SER A 20 9.663 -3.334 2.000 1.00 0.00 C ATOM 336 C SER A 20 8.234 -3.005 2.416 1.00 0.00 C ATOM 337 O SER A 20 7.430 -3.894 2.679 1.00 0.00 O ATOM 338 CB SER A 20 9.849 -4.783 1.521 1.00 0.00 C ATOM 339 OG SER A 20 9.416 -4.911 0.179 1.00 0.00 O ATOM 0 H SER A 20 10.133 -3.152 4.038 1.00 0.00 H new ATOM 0 HA SER A 20 9.908 -2.716 1.137 1.00 0.00 H new ATOM 0 HB2 SER A 20 10.898 -5.069 1.602 1.00 0.00 H new ATOM 0 HB3 SER A 20 9.283 -5.461 2.160 1.00 0.00 H new ATOM 0 HG SER A 20 9.154 -5.840 0.007 1.00 0.00 H new ATOM 345 N THR A 21 7.936 -1.712 2.543 1.00 0.00 N ATOM 346 CA THR A 21 6.659 -1.232 3.006 1.00 0.00 C ATOM 347 C THR A 21 5.649 -1.290 1.866 1.00 0.00 C ATOM 348 O THR A 21 5.481 -0.333 1.106 1.00 0.00 O ATOM 349 CB THR A 21 6.859 0.175 3.570 1.00 0.00 C ATOM 350 OG1 THR A 21 7.847 0.115 4.581 1.00 0.00 O ATOM 351 CG2 THR A 21 5.541 0.690 4.139 1.00 0.00 C ATOM 0 H THR A 21 8.595 -0.966 2.320 1.00 0.00 H new ATOM 0 HA THR A 21 6.256 -1.857 3.803 1.00 0.00 H new ATOM 0 HB THR A 21 7.183 0.858 2.785 1.00 0.00 H new ATOM 0 HG1 THR A 21 7.420 -0.057 5.446 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.685 1.693 4.541 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.791 0.720 3.349 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.204 0.026 4.935 1.00 0.00 H new ATOM 359 N TRP A 22 4.982 -2.438 1.757 1.00 0.00 N ATOM 360 CA TRP A 22 3.837 -2.591 0.882 1.00 0.00 C ATOM 361 C TRP A 22 2.574 -2.258 1.658 1.00 0.00 C ATOM 362 O TRP A 22 2.567 -2.317 2.886 1.00 0.00 O ATOM 363 CB TRP A 22 3.802 -4.000 0.321 1.00 0.00 C ATOM 364 CG TRP A 22 4.912 -4.314 -0.631 1.00 0.00 C ATOM 365 CD1 TRP A 22 6.009 -3.569 -0.894 1.00 0.00 C ATOM 366 CD2 TRP A 22 5.010 -5.467 -1.497 1.00 0.00 C ATOM 367 NE1 TRP A 22 6.749 -4.165 -1.885 1.00 0.00 N ATOM 368 CE2 TRP A 22 6.191 -5.362 -2.284 1.00 0.00 C ATOM 369 CE3 TRP A 22 4.176 -6.574 -1.708 1.00 0.00 C ATOM 370 CZ2 TRP A 22 6.535 -6.336 -3.230 1.00 0.00 C ATOM 371 CZ3 TRP A 22 4.538 -7.589 -2.612 1.00 0.00 C ATOM 372 CH2 TRP A 22 5.726 -7.478 -3.358 1.00 0.00 C ATOM 0 H TRP A 22 5.225 -3.283 2.275 1.00 0.00 H new ATOM 0 HA TRP A 22 3.910 -1.906 0.037 1.00 0.00 H new ATOM 0 HB2 TRP A 22 3.838 -4.708 1.149 1.00 0.00 H new ATOM 0 HB3 TRP A 22 2.850 -4.152 -0.187 1.00 0.00 H new ATOM 0 HD1 TRP A 22 6.265 -2.644 -0.399 1.00 0.00 H new ATOM 0 HE1 TRP A 22 7.605 -3.772 -2.277 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.243 -6.648 -1.169 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 7.409 -6.211 -3.852 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 3.903 -8.454 -2.734 1.00 0.00 H new ATOM 0 HH2 TRP A 22 6.017 -8.272 -4.030 1.00 0.00 H new ATOM 383 N VAL A 23 1.505 -1.918 0.947 1.00 0.00 N ATOM 384 CA VAL A 23 0.180 -1.732 1.516 1.00 0.00 C ATOM 385 C VAL A 23 -0.838 -2.080 0.439 1.00 0.00 C ATOM 386 O VAL A 23 -0.539 -1.945 -0.751 1.00 0.00 O ATOM 387 CB VAL A 23 -0.042 -0.288 1.994 1.00 0.00 C ATOM 388 CG1 VAL A 23 0.558 -0.001 3.375 1.00 0.00 C ATOM 389 CG2 VAL A 23 0.494 0.733 0.998 1.00 0.00 C ATOM 0 H VAL A 23 1.538 -1.761 -0.060 1.00 0.00 H new ATOM 0 HA VAL A 23 0.071 -2.377 2.388 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.125 -0.188 2.072 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.363 1.036 3.648 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.104 -0.662 4.113 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.634 -0.173 3.347 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.315 1.739 1.377 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.565 0.581 0.862 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.014 0.610 0.042 1.00 0.00 H new ATOM 399 N ILE A 24 -2.028 -2.520 0.863 1.00 0.00 N ATOM 400 CA ILE A 24 -3.127 -2.828 -0.033 1.00 0.00 C ATOM 401 C ILE A 24 -4.261 -1.823 0.160 1.00 0.00 C ATOM 402 O ILE A 24 -4.874 -1.745 1.230 1.00 0.00 O ATOM 403 CB ILE A 24 -3.552 -4.294 0.093 1.00 0.00 C ATOM 404 CG1 ILE A 24 -4.086 -4.686 1.468 1.00 0.00 C ATOM 405 CG2 ILE A 24 -2.332 -5.159 -0.187 1.00 0.00 C ATOM 406 CD1 ILE A 24 -5.588 -4.959 1.439 1.00 0.00 C ATOM 0 H ILE A 24 -2.248 -2.671 1.848 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.799 -2.719 -1.067 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.367 -4.441 -0.616 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.562 -5.574 1.821 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -3.876 -3.888 2.180 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.605 -6.211 -0.104 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.966 -4.957 -1.194 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.549 -4.929 0.536 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.927 -5.235 2.438 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -6.114 -4.062 1.112 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.796 -5.775 0.747 1.00 0.00 H new ATOM 418 N LEU A 25 -4.499 -1.016 -0.875 1.00 0.00 N ATOM 419 CA LEU A 25 -5.460 0.073 -0.846 1.00 0.00 C ATOM 420 C LEU A 25 -6.503 -0.220 -1.919 1.00 0.00 C ATOM 421 O LEU A 25 -6.221 -0.086 -3.107 1.00 0.00 O ATOM 422 CB LEU A 25 -4.771 1.432 -1.017 1.00 0.00 C ATOM 423 CG LEU A 25 -3.532 1.583 -0.119 1.00 0.00 C ATOM 424 CD1 LEU A 25 -2.869 2.917 -0.409 1.00 0.00 C ATOM 425 CD2 LEU A 25 -3.854 1.581 1.373 1.00 0.00 C ATOM 0 H LEU A 25 -4.018 -1.107 -1.770 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.955 0.137 0.123 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.478 1.558 -2.059 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.481 2.227 -0.787 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.895 0.727 -0.341 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.989 3.031 0.224 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.570 2.954 -1.456 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.571 3.725 -0.203 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.932 1.691 1.944 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.524 2.410 1.602 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.336 0.641 1.640 1.00 0.00 H new ATOM 437 N HIS A 26 -7.688 -0.677 -1.511 1.00 0.00 N ATOM 438 CA HIS A 26 -8.769 -1.023 -2.433 1.00 0.00 C ATOM 439 C HIS A 26 -8.323 -2.083 -3.449 1.00 0.00 C ATOM 440 O HIS A 26 -8.239 -1.815 -4.647 1.00 0.00 O ATOM 441 CB HIS A 26 -9.307 0.229 -3.145 1.00 0.00 C ATOM 442 CG HIS A 26 -9.715 1.333 -2.210 1.00 0.00 C ATOM 443 ND1 HIS A 26 -10.981 1.550 -1.716 1.00 0.00 N ATOM 444 CD2 HIS A 26 -8.902 2.326 -1.734 1.00 0.00 C ATOM 445 CE1 HIS A 26 -10.928 2.656 -0.956 1.00 0.00 C ATOM 446 NE2 HIS A 26 -9.681 3.159 -0.934 1.00 0.00 N ATOM 0 H HIS A 26 -7.925 -0.818 -0.529 1.00 0.00 H new ATOM 0 HA HIS A 26 -9.579 -1.452 -1.844 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -8.542 0.606 -3.824 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -10.165 -0.053 -3.755 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -11.806 0.977 -1.894 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -7.848 2.442 -1.941 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -11.771 3.083 -0.434 1.00 0.00 H new ATOM 454 N HIS A 27 -8.045 -3.300 -2.966 1.00 0.00 N ATOM 455 CA HIS A 27 -7.745 -4.485 -3.776 1.00 0.00 C ATOM 456 C HIS A 27 -6.381 -4.431 -4.484 1.00 0.00 C ATOM 457 O HIS A 27 -5.979 -5.424 -5.092 1.00 0.00 O ATOM 458 CB HIS A 27 -8.862 -4.772 -4.799 1.00 0.00 C ATOM 459 CG HIS A 27 -10.256 -4.871 -4.230 1.00 0.00 C ATOM 460 ND1 HIS A 27 -10.951 -6.039 -4.007 1.00 0.00 N ATOM 461 CD2 HIS A 27 -11.130 -3.833 -4.039 1.00 0.00 C ATOM 462 CE1 HIS A 27 -12.212 -5.705 -3.680 1.00 0.00 C ATOM 463 NE2 HIS A 27 -12.369 -4.372 -3.685 1.00 0.00 N ATOM 0 H HIS A 27 -8.022 -3.493 -1.965 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.692 -5.306 -3.061 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -8.851 -3.984 -5.553 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -8.630 -5.706 -5.311 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -10.901 -2.783 -4.144 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -12.993 -6.413 -3.445 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -13.223 -3.856 -3.473 1.00 0.00 H new ATOM 471 N LYS A 28 -5.683 -3.292 -4.442 1.00 0.00 N ATOM 472 CA LYS A 28 -4.480 -3.031 -5.218 1.00 0.00 C ATOM 473 C LYS A 28 -3.286 -2.881 -4.288 1.00 0.00 C ATOM 474 O LYS A 28 -3.398 -2.232 -3.248 1.00 0.00 O ATOM 475 CB LYS A 28 -4.714 -1.797 -6.089 1.00 0.00 C ATOM 476 CG LYS A 28 -5.532 -2.248 -7.302 1.00 0.00 C ATOM 477 CD LYS A 28 -6.293 -1.088 -7.939 1.00 0.00 C ATOM 478 CE LYS A 28 -6.964 -1.611 -9.218 1.00 0.00 C ATOM 479 NZ LYS A 28 -8.168 -0.835 -9.570 1.00 0.00 N ATOM 0 H LYS A 28 -5.952 -2.507 -3.848 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.256 -3.868 -5.880 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.246 -1.027 -5.530 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.765 -1.363 -6.405 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.868 -2.696 -8.041 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.237 -3.021 -6.997 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.040 -0.697 -7.249 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.614 -0.268 -8.172 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.253 -1.570 -10.043 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.235 -2.658 -9.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -8.589 -1.222 -10.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.858 -0.895 -8.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -7.907 0.160 -9.725 1.00 0.00 H new ATOM 493 N VAL A 29 -2.172 -3.517 -4.661 1.00 0.00 N ATOM 494 CA VAL A 29 -0.955 -3.585 -3.874 1.00 0.00 C ATOM 495 C VAL A 29 -0.005 -2.511 -4.388 1.00 0.00 C ATOM 496 O VAL A 29 0.324 -2.478 -5.581 1.00 0.00 O ATOM 497 CB VAL A 29 -0.307 -4.982 -3.940 1.00 0.00 C ATOM 498 CG1 VAL A 29 0.730 -5.123 -2.814 1.00 0.00 C ATOM 499 CG2 VAL A 29 -1.343 -6.102 -3.822 1.00 0.00 C ATOM 0 H VAL A 29 -2.098 -4.012 -5.550 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.189 -3.409 -2.824 1.00 0.00 H new ATOM 0 HB VAL A 29 0.176 -5.076 -4.913 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.187 -6.111 -2.862 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.500 -4.361 -2.931 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.239 -4.997 -1.849 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.842 -7.068 -3.874 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.866 -6.015 -2.870 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.060 -6.022 -4.639 1.00 0.00 H new ATOM 509 N TYR A 30 0.419 -1.639 -3.475 1.00 0.00 N ATOM 510 CA TYR A 30 1.338 -0.551 -3.753 1.00 0.00 C ATOM 511 C TYR A 30 2.620 -0.797 -2.962 1.00 0.00 C ATOM 512 O TYR A 30 2.536 -1.016 -1.751 1.00 0.00 O ATOM 513 CB TYR A 30 0.668 0.768 -3.351 1.00 0.00 C ATOM 514 CG TYR A 30 -0.652 1.010 -4.057 1.00 0.00 C ATOM 515 CD1 TYR A 30 -0.657 1.537 -5.357 1.00 0.00 C ATOM 516 CD2 TYR A 30 -1.860 0.577 -3.482 1.00 0.00 C ATOM 517 CE1 TYR A 30 -1.862 1.670 -6.069 1.00 0.00 C ATOM 518 CE2 TYR A 30 -3.061 0.714 -4.196 1.00 0.00 C ATOM 519 CZ TYR A 30 -3.071 1.297 -5.469 1.00 0.00 C ATOM 520 OH TYR A 30 -4.253 1.530 -6.109 1.00 0.00 O ATOM 0 H TYR A 30 0.122 -1.675 -2.500 1.00 0.00 H new ATOM 0 HA TYR A 30 1.589 -0.496 -4.812 1.00 0.00 H new ATOM 0 HB2 TYR A 30 0.501 0.769 -2.274 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.346 1.593 -3.570 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.272 1.843 -5.815 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.864 0.140 -2.494 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -1.855 2.059 -7.076 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -3.986 0.367 -3.759 1.00 0.00 H new ATOM 0 HH TYR A 30 -4.994 1.209 -5.554 1.00 0.00 H new ATOM 530 N ASP A 31 3.785 -0.761 -3.627 1.00 0.00 N ATOM 531 CA ASP A 31 5.062 -0.648 -2.926 1.00 0.00 C ATOM 532 C ASP A 31 5.275 0.833 -2.681 1.00 0.00 C ATOM 533 O ASP A 31 5.211 1.618 -3.625 1.00 0.00 O ATOM 534 CB ASP A 31 6.255 -1.199 -3.724 1.00 0.00 C ATOM 535 CG ASP A 31 7.561 -0.978 -2.959 1.00 0.00 C ATOM 536 OD1 ASP A 31 7.976 0.192 -2.826 1.00 0.00 O ATOM 537 OD2 ASP A 31 8.125 -1.965 -2.436 1.00 0.00 O ATOM 0 H ASP A 31 3.864 -0.809 -4.643 1.00 0.00 H new ATOM 0 HA ASP A 31 5.016 -1.239 -2.011 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.113 -2.263 -3.913 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.308 -0.707 -4.695 1.00 0.00 H new ATOM 542 N LEU A 32 5.507 1.211 -1.427 1.00 0.00 N ATOM 543 CA LEU A 32 5.756 2.595 -1.074 1.00 0.00 C ATOM 544 C LEU A 32 7.113 2.704 -0.372 1.00 0.00 C ATOM 545 O LEU A 32 7.383 3.687 0.316 1.00 0.00 O ATOM 546 CB LEU A 32 4.562 3.082 -0.243 1.00 0.00 C ATOM 547 CG LEU A 32 3.229 2.927 -1.012 1.00 0.00 C ATOM 548 CD1 LEU A 32 2.057 3.233 -0.103 1.00 0.00 C ATOM 549 CD2 LEU A 32 3.099 3.843 -2.236 1.00 0.00 C ATOM 0 H LEU A 32 5.527 0.567 -0.636 1.00 0.00 H new ATOM 0 HA LEU A 32 5.830 3.246 -1.945 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.513 2.518 0.688 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.708 4.128 0.025 1.00 0.00 H new ATOM 0 HG LEU A 32 3.225 1.893 -1.357 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.126 3.120 -0.659 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.062 2.544 0.741 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.138 4.256 0.264 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.137 3.672 -2.718 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.167 4.884 -1.920 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.902 3.625 -2.941 1.00 0.00 H new ATOM 561 N THR A 33 7.999 1.731 -0.606 1.00 0.00 N ATOM 562 CA THR A 33 9.308 1.616 0.016 1.00 0.00 C ATOM 563 C THR A 33 10.132 2.879 -0.225 1.00 0.00 C ATOM 564 O THR A 33 10.727 3.421 0.703 1.00 0.00 O ATOM 565 CB THR A 33 9.990 0.346 -0.517 1.00 0.00 C ATOM 566 OG1 THR A 33 9.170 -0.771 -0.226 1.00 0.00 O ATOM 567 CG2 THR A 33 11.367 0.117 0.113 1.00 0.00 C ATOM 0 H THR A 33 7.809 0.974 -1.262 1.00 0.00 H new ATOM 0 HA THR A 33 9.212 1.523 1.098 1.00 0.00 H new ATOM 0 HB THR A 33 10.128 0.471 -1.591 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.957 -1.245 -1.057 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.808 -0.792 -0.296 1.00 0.00 H new ATOM 0 HG22 THR A 33 12.014 0.966 -0.109 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.261 0.014 1.193 1.00 0.00 H new ATOM 575 N LYS A 34 10.152 3.369 -1.468 1.00 0.00 N ATOM 576 CA LYS A 34 10.850 4.598 -1.819 1.00 0.00 C ATOM 577 C LYS A 34 9.944 5.829 -1.747 1.00 0.00 C ATOM 578 O LYS A 34 10.356 6.902 -2.177 1.00 0.00 O ATOM 579 CB LYS A 34 11.467 4.443 -3.212 1.00 0.00 C ATOM 580 CG LYS A 34 12.563 3.369 -3.198 1.00 0.00 C ATOM 581 CD LYS A 34 13.693 3.781 -4.151 1.00 0.00 C ATOM 582 CE LYS A 34 14.881 2.818 -4.042 1.00 0.00 C ATOM 583 NZ LYS A 34 15.996 3.223 -4.923 1.00 0.00 N ATOM 0 H LYS A 34 9.683 2.921 -2.255 1.00 0.00 H new ATOM 0 HA LYS A 34 11.639 4.764 -1.085 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.694 4.172 -3.931 1.00 0.00 H new ATOM 0 HB3 LYS A 34 11.886 5.395 -3.538 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.952 3.244 -2.188 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.149 2.407 -3.501 1.00 0.00 H new ATOM 0 HD2 LYS A 34 13.323 3.793 -5.176 1.00 0.00 H new ATOM 0 HD3 LYS A 34 14.019 4.795 -3.918 1.00 0.00 H new ATOM 0 HE2 LYS A 34 15.228 2.783 -3.009 1.00 0.00 H new ATOM 0 HE3 LYS A 34 14.558 1.810 -4.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 16.781 2.548 -4.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 15.672 3.232 -5.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 16.321 4.174 -4.657 1.00 0.00 H new ATOM 597 N PHE A 35 8.729 5.694 -1.208 1.00 0.00 N ATOM 598 CA PHE A 35 7.786 6.798 -1.092 1.00 0.00 C ATOM 599 C PHE A 35 7.666 7.257 0.361 1.00 0.00 C ATOM 600 O PHE A 35 7.144 8.333 0.615 1.00 0.00 O ATOM 601 CB PHE A 35 6.435 6.371 -1.672 1.00 0.00 C ATOM 602 CG PHE A 35 5.335 7.412 -1.591 1.00 0.00 C ATOM 603 CD1 PHE A 35 5.503 8.674 -2.188 1.00 0.00 C ATOM 604 CD2 PHE A 35 4.153 7.132 -0.883 1.00 0.00 C ATOM 605 CE1 PHE A 35 4.467 9.621 -2.139 1.00 0.00 C ATOM 606 CE2 PHE A 35 3.099 8.056 -0.874 1.00 0.00 C ATOM 607 CZ PHE A 35 3.260 9.307 -1.492 1.00 0.00 C ATOM 0 H PHE A 35 8.375 4.811 -0.840 1.00 0.00 H new ATOM 0 HA PHE A 35 8.150 7.652 -1.663 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.577 6.098 -2.718 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.102 5.474 -1.151 1.00 0.00 H new ATOM 0 HD1 PHE A 35 6.431 8.916 -2.685 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.057 6.201 -0.344 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.598 10.590 -2.598 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.165 7.806 -0.393 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.456 10.028 -1.470 1.00 0.00 H new ATOM 617 N LEU A 36 8.164 6.465 1.313 1.00 0.00 N ATOM 618 CA LEU A 36 8.050 6.710 2.740 1.00 0.00 C ATOM 619 C LEU A 36 8.324 8.173 3.103 1.00 0.00 C ATOM 620 O LEU A 36 7.458 8.853 3.648 1.00 0.00 O ATOM 621 CB LEU A 36 9.021 5.772 3.470 1.00 0.00 C ATOM 622 CG LEU A 36 8.663 4.280 3.416 1.00 0.00 C ATOM 623 CD1 LEU A 36 9.655 3.475 4.266 1.00 0.00 C ATOM 624 CD2 LEU A 36 7.240 4.013 3.911 1.00 0.00 C ATOM 0 H LEU A 36 8.674 5.608 1.097 1.00 0.00 H new ATOM 0 HA LEU A 36 7.025 6.508 3.051 1.00 0.00 H new ATOM 0 HB2 LEU A 36 10.016 5.905 3.045 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.077 6.077 4.515 1.00 0.00 H new ATOM 0 HG LEU A 36 8.721 3.968 2.373 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.396 2.417 4.224 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.664 3.617 3.879 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.611 3.818 5.300 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.030 2.945 3.855 1.00 0.00 H new ATOM 0 HD22 LEU A 36 7.145 4.348 4.944 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.530 4.556 3.287 1.00 0.00 H new ATOM 636 N GLU A 37 9.529 8.656 2.798 1.00 0.00 N ATOM 637 CA GLU A 37 9.922 10.019 3.129 1.00 0.00 C ATOM 638 C GLU A 37 9.212 11.033 2.221 1.00 0.00 C ATOM 639 O GLU A 37 8.827 12.107 2.677 1.00 0.00 O ATOM 640 CB GLU A 37 11.454 10.148 3.073 1.00 0.00 C ATOM 641 CG GLU A 37 12.001 10.834 4.331 1.00 0.00 C ATOM 642 CD GLU A 37 13.522 10.899 4.297 1.00 0.00 C ATOM 643 OE1 GLU A 37 14.136 9.842 4.555 1.00 0.00 O ATOM 644 OE2 GLU A 37 14.040 11.994 3.991 1.00 0.00 O ATOM 0 H GLU A 37 10.251 8.117 2.320 1.00 0.00 H new ATOM 0 HA GLU A 37 9.608 10.247 4.148 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.901 9.159 2.972 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.741 10.719 2.190 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.592 11.841 4.408 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.676 10.289 5.217 1.00 0.00 H new ATOM 651 N GLU A 38 9.040 10.698 0.936 1.00 0.00 N ATOM 652 CA GLU A 38 8.406 11.589 -0.030 1.00 0.00 C ATOM 653 C GLU A 38 6.960 11.913 0.354 1.00 0.00 C ATOM 654 O GLU A 38 6.503 13.034 0.140 1.00 0.00 O ATOM 655 CB GLU A 38 8.434 10.961 -1.429 1.00 0.00 C ATOM 656 CG GLU A 38 9.766 11.147 -2.170 1.00 0.00 C ATOM 657 CD GLU A 38 9.518 11.607 -3.604 1.00 0.00 C ATOM 658 OE1 GLU A 38 9.192 12.803 -3.761 1.00 0.00 O ATOM 659 OE2 GLU A 38 9.622 10.751 -4.508 1.00 0.00 O ATOM 0 H GLU A 38 9.337 9.805 0.543 1.00 0.00 H new ATOM 0 HA GLU A 38 8.973 12.520 -0.031 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.224 9.895 -1.342 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.633 11.396 -2.027 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.381 11.880 -1.648 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.322 10.209 -2.173 1.00 0.00 H new ATOM 666 N HIS A 39 6.228 10.917 0.859 1.00 0.00 N ATOM 667 CA HIS A 39 4.818 11.006 1.198 1.00 0.00 C ATOM 668 C HIS A 39 4.541 12.291 1.983 1.00 0.00 C ATOM 669 O HIS A 39 5.018 12.410 3.113 1.00 0.00 O ATOM 670 CB HIS A 39 4.428 9.754 1.996 1.00 0.00 C ATOM 671 CG HIS A 39 3.012 9.720 2.522 1.00 0.00 C ATOM 672 ND1 HIS A 39 2.674 9.452 3.824 1.00 0.00 N ATOM 673 CD2 HIS A 39 1.843 9.805 1.810 1.00 0.00 C ATOM 674 CE1 HIS A 39 1.338 9.387 3.894 1.00 0.00 C ATOM 675 NE2 HIS A 39 0.779 9.575 2.689 1.00 0.00 N ATOM 0 H HIS A 39 6.622 9.995 1.047 1.00 0.00 H new ATOM 0 HA HIS A 39 4.212 11.049 0.293 1.00 0.00 H new ATOM 0 HB2 HIS A 39 4.580 8.881 1.362 1.00 0.00 H new ATOM 0 HB3 HIS A 39 5.111 9.658 2.840 1.00 0.00 H new ATOM 0 HD1 HIS A 39 3.324 9.325 4.600 1.00 0.00 H new ATOM 0 HD2 HIS A 39 1.758 10.013 0.754 1.00 0.00 H new ATOM 0 HE1 HIS A 39 0.783 9.207 4.803 1.00 0.00 H new ATOM 683 N PRO A 40 3.782 13.254 1.426 1.00 0.00 N ATOM 684 CA PRO A 40 3.449 14.492 2.113 1.00 0.00 C ATOM 685 C PRO A 40 2.444 14.175 3.223 1.00 0.00 C ATOM 686 O PRO A 40 1.243 14.387 3.082 1.00 0.00 O ATOM 687 CB PRO A 40 2.900 15.434 1.036 1.00 0.00 C ATOM 688 CG PRO A 40 2.352 14.487 -0.025 1.00 0.00 C ATOM 689 CD PRO A 40 3.220 13.236 0.085 1.00 0.00 C ATOM 0 HA PRO A 40 4.299 14.972 2.599 1.00 0.00 H new ATOM 0 HB2 PRO A 40 2.121 16.085 1.433 1.00 0.00 H new ATOM 0 HB3 PRO A 40 3.680 16.079 0.633 1.00 0.00 H new ATOM 0 HG2 PRO A 40 1.302 14.257 0.154 1.00 0.00 H new ATOM 0 HG3 PRO A 40 2.417 14.927 -1.020 1.00 0.00 H new ATOM 0 HD2 PRO A 40 2.628 12.335 -0.078 1.00 0.00 H new ATOM 0 HD3 PRO A 40 4.008 13.240 -0.668 1.00 0.00 H new ATOM 697 N GLY A 41 2.963 13.614 4.313 1.00 0.00 N ATOM 698 CA GLY A 41 2.200 12.981 5.373 1.00 0.00 C ATOM 699 C GLY A 41 3.101 12.079 6.221 1.00 0.00 C ATOM 700 O GLY A 41 2.846 11.902 7.409 1.00 0.00 O ATOM 0 H GLY A 41 3.968 13.590 4.484 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.742 13.743 6.004 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.389 12.393 4.943 1.00 0.00 H new ATOM 704 N GLY A 42 4.178 11.545 5.627 1.00 0.00 N ATOM 705 CA GLY A 42 5.297 10.974 6.358 1.00 0.00 C ATOM 706 C GLY A 42 5.463 9.480 6.208 1.00 0.00 C ATOM 707 O GLY A 42 4.585 8.772 5.717 1.00 0.00 O ATOM 0 H GLY A 42 4.289 11.501 4.614 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.214 11.461 6.027 1.00 0.00 H new ATOM 0 HA3 GLY A 42 5.177 11.206 7.416 1.00 0.00 H new ATOM 711 N GLU A 43 6.605 9.010 6.705 1.00 0.00 N ATOM 712 CA GLU A 43 6.966 7.617 6.634 1.00 0.00 C ATOM 713 C GLU A 43 6.175 6.837 7.689 1.00 0.00 C ATOM 714 O GLU A 43 5.589 5.798 7.398 1.00 0.00 O ATOM 715 CB GLU A 43 8.485 7.504 6.872 1.00 0.00 C ATOM 716 CG GLU A 43 9.010 6.068 7.057 1.00 0.00 C ATOM 717 CD GLU A 43 9.280 5.701 8.513 1.00 0.00 C ATOM 718 OE1 GLU A 43 10.081 6.427 9.137 1.00 0.00 O ATOM 719 OE2 GLU A 43 8.707 4.687 8.962 1.00 0.00 O ATOM 0 H GLU A 43 7.301 9.595 7.167 1.00 0.00 H new ATOM 0 HA GLU A 43 6.727 7.196 5.657 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.004 7.959 6.029 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.743 8.086 7.757 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.284 5.368 6.643 1.00 0.00 H new ATOM 0 HG3 GLU A 43 9.930 5.949 6.484 1.00 0.00 H new ATOM 726 N GLU A 44 6.157 7.338 8.928 1.00 0.00 N ATOM 727 CA GLU A 44 5.674 6.571 10.073 1.00 0.00 C ATOM 728 C GLU A 44 4.227 6.114 9.862 1.00 0.00 C ATOM 729 O GLU A 44 3.923 4.931 9.992 1.00 0.00 O ATOM 730 CB GLU A 44 5.840 7.376 11.369 1.00 0.00 C ATOM 731 CG GLU A 44 5.646 6.482 12.604 1.00 0.00 C ATOM 732 CD GLU A 44 5.750 7.273 13.902 1.00 0.00 C ATOM 733 OE1 GLU A 44 5.075 8.322 13.978 1.00 0.00 O ATOM 734 OE2 GLU A 44 6.505 6.821 14.789 1.00 0.00 O ATOM 0 H GLU A 44 6.475 8.279 9.161 1.00 0.00 H new ATOM 0 HA GLU A 44 6.280 5.670 10.166 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.831 7.828 11.396 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.117 8.192 11.389 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.671 5.998 12.552 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.396 5.691 12.600 1.00 0.00 H new ATOM 741 N VAL A 45 3.336 7.040 9.492 1.00 0.00 N ATOM 742 CA VAL A 45 1.932 6.736 9.260 1.00 0.00 C ATOM 743 C VAL A 45 1.777 5.596 8.241 1.00 0.00 C ATOM 744 O VAL A 45 0.942 4.713 8.404 1.00 0.00 O ATOM 745 CB VAL A 45 1.167 8.014 8.866 1.00 0.00 C ATOM 746 CG1 VAL A 45 1.355 9.132 9.901 1.00 0.00 C ATOM 747 CG2 VAL A 45 1.533 8.553 7.478 1.00 0.00 C ATOM 0 H VAL A 45 3.575 8.021 9.346 1.00 0.00 H new ATOM 0 HA VAL A 45 1.484 6.374 10.186 1.00 0.00 H new ATOM 0 HB VAL A 45 0.121 7.709 8.836 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.800 10.016 9.587 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.985 8.797 10.870 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.414 9.378 9.982 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.953 9.453 7.273 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.596 8.792 7.449 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.310 7.798 6.724 1.00 0.00 H new ATOM 757 N LEU A 46 2.617 5.591 7.206 1.00 0.00 N ATOM 758 CA LEU A 46 2.738 4.513 6.241 1.00 0.00 C ATOM 759 C LEU A 46 3.176 3.222 6.935 1.00 0.00 C ATOM 760 O LEU A 46 2.553 2.169 6.788 1.00 0.00 O ATOM 761 CB LEU A 46 3.768 4.961 5.184 1.00 0.00 C ATOM 762 CG LEU A 46 3.205 5.335 3.817 1.00 0.00 C ATOM 763 CD1 LEU A 46 3.178 4.083 2.969 1.00 0.00 C ATOM 764 CD2 LEU A 46 1.819 5.988 3.842 1.00 0.00 C ATOM 0 H LEU A 46 3.251 6.367 7.015 1.00 0.00 H new ATOM 0 HA LEU A 46 1.780 4.305 5.765 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.313 5.819 5.578 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.493 4.158 5.049 1.00 0.00 H new ATOM 0 HG LEU A 46 3.860 6.101 3.400 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.779 4.320 1.983 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.190 3.691 2.866 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.546 3.334 3.446 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.506 6.216 2.823 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.103 5.304 4.297 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.861 6.909 4.424 1.00 0.00 H new ATOM 776 N ARG A 47 4.285 3.311 7.665 1.00 0.00 N ATOM 777 CA ARG A 47 5.011 2.177 8.211 1.00 0.00 C ATOM 778 C ARG A 47 4.294 1.510 9.389 1.00 0.00 C ATOM 779 O ARG A 47 4.582 0.356 9.704 1.00 0.00 O ATOM 780 CB ARG A 47 6.441 2.635 8.536 1.00 0.00 C ATOM 781 CG ARG A 47 7.521 1.780 7.868 1.00 0.00 C ATOM 782 CD ARG A 47 7.755 0.455 8.602 1.00 0.00 C ATOM 783 NE ARG A 47 9.196 0.230 8.792 1.00 0.00 N ATOM 784 CZ ARG A 47 9.727 -0.699 9.598 1.00 0.00 C ATOM 785 NH1 ARG A 47 8.930 -1.589 10.197 1.00 0.00 N ATOM 786 NH2 ARG A 47 11.048 -0.719 9.808 1.00 0.00 N ATOM 0 H ARG A 47 4.714 4.207 7.898 1.00 0.00 H new ATOM 0 HA ARG A 47 5.057 1.384 7.465 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.563 3.671 8.221 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.586 2.611 9.616 1.00 0.00 H new ATOM 0 HG2 ARG A 47 7.232 1.575 6.837 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.454 2.342 7.832 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.251 0.472 9.568 1.00 0.00 H new ATOM 0 HD3 ARG A 47 7.323 -0.367 8.031 1.00 0.00 H new ATOM 0 HE ARG A 47 9.839 0.826 8.271 1.00 0.00 H new ATOM 0 HH11 ARG A 47 7.923 -1.559 10.039 1.00 0.00 H new ATOM 0 HH12 ARG A 47 9.329 -2.298 10.812 1.00 0.00 H new ATOM 0 HH21 ARG A 47 11.647 -0.029 9.355 1.00 0.00 H new ATOM 0 HH22 ARG A 47 11.456 -1.425 10.421 1.00 0.00 H new ATOM 800 N GLU A 48 3.354 2.227 10.005 1.00 0.00 N ATOM 801 CA GLU A 48 2.493 1.790 11.092 1.00 0.00 C ATOM 802 C GLU A 48 1.850 0.436 10.797 1.00 0.00 C ATOM 803 O GLU A 48 2.097 -0.551 11.487 1.00 0.00 O ATOM 804 CB GLU A 48 1.422 2.874 11.324 1.00 0.00 C ATOM 805 CG GLU A 48 1.664 3.737 12.568 1.00 0.00 C ATOM 806 CD GLU A 48 1.182 3.053 13.844 1.00 0.00 C ATOM 807 OE1 GLU A 48 1.400 1.828 13.953 1.00 0.00 O ATOM 808 OE2 GLU A 48 0.578 3.763 14.676 1.00 0.00 O ATOM 0 H GLU A 48 3.165 3.193 9.736 1.00 0.00 H new ATOM 0 HA GLU A 48 3.090 1.656 11.994 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.380 3.522 10.448 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.447 2.394 11.412 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.728 3.957 12.655 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.150 4.691 12.452 1.00 0.00 H new ATOM 815 N GLN A 49 1.007 0.399 9.764 1.00 0.00 N ATOM 816 CA GLN A 49 0.315 -0.820 9.386 1.00 0.00 C ATOM 817 C GLN A 49 1.306 -1.662 8.594 1.00 0.00 C ATOM 818 O GLN A 49 1.886 -2.618 9.108 1.00 0.00 O ATOM 819 CB GLN A 49 -0.951 -0.482 8.571 1.00 0.00 C ATOM 820 CG GLN A 49 -2.141 -0.068 9.453 1.00 0.00 C ATOM 821 CD GLN A 49 -2.794 -1.244 10.185 1.00 0.00 C ATOM 822 OE1 GLN A 49 -2.336 -2.380 10.091 1.00 0.00 O ATOM 823 NE2 GLN A 49 -3.881 -0.990 10.909 1.00 0.00 N ATOM 0 H GLN A 49 0.791 1.205 9.177 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.025 -1.379 10.258 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.723 0.325 7.875 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.233 -1.348 7.973 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.803 0.664 10.186 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.889 0.425 8.832 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.241 -0.038 10.971 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.354 -1.747 11.402 1.00 0.00 H new ATOM 832 N ALA A 50 1.505 -1.244 7.341 1.00 0.00 N ATOM 833 CA ALA A 50 2.277 -1.932 6.316 1.00 0.00 C ATOM 834 C ALA A 50 1.878 -3.411 6.117 1.00 0.00 C ATOM 835 O ALA A 50 1.196 -4.014 6.940 1.00 0.00 O ATOM 836 CB ALA A 50 3.760 -1.710 6.601 1.00 0.00 C ATOM 0 H ALA A 50 1.108 -0.368 7.001 1.00 0.00 H new ATOM 0 HA ALA A 50 2.043 -1.499 5.344 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.356 -2.218 5.843 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.979 -0.642 6.579 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.005 -2.111 7.585 1.00 0.00 H new ATOM 842 N GLY A 51 2.262 -3.988 4.975 1.00 0.00 N ATOM 843 CA GLY A 51 1.922 -5.340 4.538 1.00 0.00 C ATOM 844 C GLY A 51 0.505 -5.761 4.925 1.00 0.00 C ATOM 845 O GLY A 51 0.316 -6.767 5.603 1.00 0.00 O ATOM 0 H GLY A 51 2.847 -3.498 4.298 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.029 -5.402 3.455 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.634 -6.044 4.970 1.00 0.00 H new ATOM 849 N GLY A 52 -0.503 -4.995 4.507 1.00 0.00 N ATOM 850 CA GLY A 52 -1.869 -5.291 4.869 1.00 0.00 C ATOM 851 C GLY A 52 -2.762 -4.093 4.592 1.00 0.00 C ATOM 852 O GLY A 52 -2.366 -3.142 3.903 1.00 0.00 O ATOM 0 H GLY A 52 -0.389 -4.169 3.919 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.222 -6.154 4.305 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.923 -5.556 5.925 1.00 0.00 H new ATOM 856 N ASP A 53 -3.979 -4.204 5.118 1.00 0.00 N ATOM 857 CA ASP A 53 -5.151 -3.389 4.862 1.00 0.00 C ATOM 858 C ASP A 53 -4.993 -1.972 5.391 1.00 0.00 C ATOM 859 O ASP A 53 -5.702 -1.536 6.294 1.00 0.00 O ATOM 860 CB ASP A 53 -6.383 -4.075 5.484 1.00 0.00 C ATOM 861 CG ASP A 53 -6.533 -5.536 5.084 1.00 0.00 C ATOM 862 OD1 ASP A 53 -5.580 -6.293 5.384 1.00 0.00 O ATOM 863 OD2 ASP A 53 -7.571 -5.863 4.470 1.00 0.00 O ATOM 0 H ASP A 53 -4.183 -4.937 5.797 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.282 -3.301 3.783 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.316 -4.009 6.570 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.280 -3.532 5.187 1.00 0.00 H new ATOM 868 N ALA A 54 -4.128 -1.195 4.746 1.00 0.00 N ATOM 869 CA ALA A 54 -4.044 0.222 5.032 1.00 0.00 C ATOM 870 C ALA A 54 -5.212 0.981 4.387 1.00 0.00 C ATOM 871 O ALA A 54 -5.298 2.198 4.542 1.00 0.00 O ATOM 872 CB ALA A 54 -2.688 0.714 4.557 1.00 0.00 C ATOM 0 H ALA A 54 -3.483 -1.525 4.028 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.129 0.406 6.103 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.596 1.781 4.760 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.900 0.175 5.084 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.592 0.539 3.485 1.00 0.00 H new ATOM 878 N THR A 55 -6.111 0.284 3.673 1.00 0.00 N ATOM 879 CA THR A 55 -7.316 0.875 3.112 1.00 0.00 C ATOM 880 C THR A 55 -8.085 1.647 4.196 1.00 0.00 C ATOM 881 O THR A 55 -8.397 2.818 3.993 1.00 0.00 O ATOM 882 CB THR A 55 -8.209 -0.194 2.447 1.00 0.00 C ATOM 883 OG1 THR A 55 -7.543 -0.906 1.415 1.00 0.00 O ATOM 884 CG2 THR A 55 -9.426 0.475 1.800 1.00 0.00 C ATOM 0 H THR A 55 -6.013 -0.711 3.473 1.00 0.00 H new ATOM 0 HA THR A 55 -7.021 1.579 2.334 1.00 0.00 H new ATOM 0 HB THR A 55 -8.489 -0.887 3.240 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.617 -1.081 1.684 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.053 -0.284 1.332 1.00 0.00 H new ATOM 0 HG22 THR A 55 -10.001 1.000 2.563 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.092 1.186 1.044 1.00 0.00 H new ATOM 892 N GLU A 56 -8.375 0.998 5.335 1.00 0.00 N ATOM 893 CA GLU A 56 -9.075 1.609 6.467 1.00 0.00 C ATOM 894 C GLU A 56 -8.477 2.988 6.770 1.00 0.00 C ATOM 895 O GLU A 56 -9.152 4.008 6.660 1.00 0.00 O ATOM 896 CB GLU A 56 -9.031 0.666 7.695 1.00 0.00 C ATOM 897 CG GLU A 56 -10.320 -0.166 7.833 1.00 0.00 C ATOM 898 CD GLU A 56 -10.197 -1.297 8.859 1.00 0.00 C ATOM 899 OE1 GLU A 56 -9.410 -2.226 8.591 1.00 0.00 O ATOM 900 OE2 GLU A 56 -10.913 -1.275 9.884 1.00 0.00 O ATOM 0 H GLU A 56 -8.125 0.022 5.494 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.124 1.757 6.212 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.175 -0.004 7.607 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -8.882 1.256 8.599 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -11.140 0.491 8.122 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -10.578 -0.590 6.862 1.00 0.00 H new ATOM 907 N ASN A 57 -7.185 3.016 7.092 1.00 0.00 N ATOM 908 CA ASN A 57 -6.497 4.236 7.503 1.00 0.00 C ATOM 909 C ASN A 57 -6.477 5.268 6.365 1.00 0.00 C ATOM 910 O ASN A 57 -6.753 6.452 6.559 1.00 0.00 O ATOM 911 CB ASN A 57 -5.090 3.868 7.988 1.00 0.00 C ATOM 912 CG ASN A 57 -4.514 4.933 8.916 1.00 0.00 C ATOM 913 OD1 ASN A 57 -4.496 6.115 8.592 1.00 0.00 O ATOM 914 ND2 ASN A 57 -4.017 4.524 10.079 1.00 0.00 N ATOM 0 H ASN A 57 -6.586 2.191 7.075 1.00 0.00 H new ATOM 0 HA ASN A 57 -7.033 4.708 8.327 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.124 2.911 8.509 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.431 3.740 7.129 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -3.609 5.200 10.725 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -4.044 3.535 10.325 1.00 0.00 H new ATOM 921 N PHE A 58 -6.183 4.811 5.144 1.00 0.00 N ATOM 922 CA PHE A 58 -6.204 5.651 3.954 1.00 0.00 C ATOM 923 C PHE A 58 -7.549 6.370 3.801 1.00 0.00 C ATOM 924 O PHE A 58 -7.552 7.573 3.531 1.00 0.00 O ATOM 925 CB PHE A 58 -5.874 4.813 2.713 1.00 0.00 C ATOM 926 CG PHE A 58 -5.911 5.561 1.390 1.00 0.00 C ATOM 927 CD1 PHE A 58 -7.131 5.714 0.705 1.00 0.00 C ATOM 928 CD2 PHE A 58 -4.726 6.040 0.804 1.00 0.00 C ATOM 929 CE1 PHE A 58 -7.163 6.313 -0.564 1.00 0.00 C ATOM 930 CE2 PHE A 58 -4.748 6.601 -0.486 1.00 0.00 C ATOM 931 CZ PHE A 58 -5.968 6.731 -1.174 1.00 0.00 C ATOM 0 H PHE A 58 -5.923 3.842 4.958 1.00 0.00 H new ATOM 0 HA PHE A 58 -5.441 6.422 4.063 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.880 4.383 2.840 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -6.577 3.981 2.660 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -8.048 5.368 1.159 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -3.794 5.977 1.347 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -8.106 6.453 -1.072 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -3.829 6.931 -0.948 1.00 0.00 H new ATOM 0 HZ PHE A 58 -5.986 7.151 -2.169 1.00 0.00 H new ATOM 941 N GLU A 59 -8.666 5.643 3.948 1.00 0.00 N ATOM 942 CA GLU A 59 -10.015 6.172 3.747 1.00 0.00 C ATOM 943 C GLU A 59 -10.508 6.949 4.972 1.00 0.00 C ATOM 944 O GLU A 59 -11.305 7.871 4.820 1.00 0.00 O ATOM 945 CB GLU A 59 -11.012 5.063 3.371 1.00 0.00 C ATOM 946 CG GLU A 59 -11.055 4.737 1.864 1.00 0.00 C ATOM 947 CD GLU A 59 -11.665 5.841 0.982 1.00 0.00 C ATOM 948 OE1 GLU A 59 -12.118 6.855 1.550 1.00 0.00 O ATOM 949 OE2 GLU A 59 -11.701 5.656 -0.257 1.00 0.00 O ATOM 0 H GLU A 59 -8.653 4.658 4.213 1.00 0.00 H new ATOM 0 HA GLU A 59 -9.957 6.868 2.910 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -10.755 4.157 3.920 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.009 5.361 3.696 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.040 4.537 1.521 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -11.627 3.820 1.721 1.00 0.00 H new ATOM 956 N ASP A 60 -10.031 6.621 6.177 1.00 0.00 N ATOM 957 CA ASP A 60 -10.262 7.455 7.355 1.00 0.00 C ATOM 958 C ASP A 60 -9.856 8.897 7.036 1.00 0.00 C ATOM 959 O ASP A 60 -10.640 9.834 7.183 1.00 0.00 O ATOM 960 CB ASP A 60 -9.470 6.905 8.544 1.00 0.00 C ATOM 961 CG ASP A 60 -9.671 7.777 9.776 1.00 0.00 C ATOM 962 OD1 ASP A 60 -8.919 8.769 9.895 1.00 0.00 O ATOM 963 OD2 ASP A 60 -10.581 7.450 10.567 1.00 0.00 O ATOM 0 H ASP A 60 -9.482 5.781 6.360 1.00 0.00 H new ATOM 0 HA ASP A 60 -11.319 7.442 7.622 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -9.789 5.885 8.759 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -8.410 6.862 8.292 1.00 0.00 H new ATOM 968 N VAL A 61 -8.638 9.048 6.511 1.00 0.00 N ATOM 969 CA VAL A 61 -8.127 10.320 6.017 1.00 0.00 C ATOM 970 C VAL A 61 -8.778 10.696 4.672 1.00 0.00 C ATOM 971 O VAL A 61 -8.901 11.876 4.342 1.00 0.00 O ATOM 972 CB VAL A 61 -6.593 10.236 5.956 1.00 0.00 C ATOM 973 CG1 VAL A 61 -5.965 11.488 5.326 1.00 0.00 C ATOM 974 CG2 VAL A 61 -6.019 10.049 7.367 1.00 0.00 C ATOM 0 H VAL A 61 -7.974 8.279 6.418 1.00 0.00 H new ATOM 0 HA VAL A 61 -8.393 11.130 6.696 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.347 9.380 5.328 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.881 11.380 5.306 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.337 11.609 4.309 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.231 12.365 5.916 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.932 9.991 7.313 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.306 10.895 7.992 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -6.411 9.129 7.800 1.00 0.00 H new ATOM 984 N GLY A 62 -9.178 9.714 3.863 1.00 0.00 N ATOM 985 CA GLY A 62 -9.959 9.910 2.646 1.00 0.00 C ATOM 986 C GLY A 62 -9.051 10.029 1.427 1.00 0.00 C ATOM 987 O GLY A 62 -9.218 9.295 0.454 1.00 0.00 O ATOM 0 H GLY A 62 -8.960 8.734 4.043 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -10.646 9.074 2.512 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.567 10.810 2.741 1.00 0.00 H new ATOM 991 N HIS A 63 -8.089 10.956 1.507 1.00 0.00 N ATOM 992 CA HIS A 63 -7.083 11.249 0.488 1.00 0.00 C ATOM 993 C HIS A 63 -7.652 11.903 -0.780 1.00 0.00 C ATOM 994 O HIS A 63 -8.698 11.524 -1.303 1.00 0.00 O ATOM 995 CB HIS A 63 -6.248 10.013 0.126 1.00 0.00 C ATOM 996 CG HIS A 63 -5.160 9.694 1.112 1.00 0.00 C ATOM 997 ND1 HIS A 63 -5.297 8.979 2.278 1.00 0.00 N ATOM 998 CD2 HIS A 63 -3.834 9.989 0.948 1.00 0.00 C ATOM 999 CE1 HIS A 63 -4.062 8.858 2.802 1.00 0.00 C ATOM 1000 NE2 HIS A 63 -3.129 9.446 2.021 1.00 0.00 N ATOM 0 H HIS A 63 -7.989 11.551 2.329 1.00 0.00 H new ATOM 0 HA HIS A 63 -6.428 11.987 0.951 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -6.911 9.152 0.043 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.800 10.166 -0.856 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -6.164 8.612 2.670 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.407 10.547 0.128 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -3.844 8.353 3.732 1.00 0.00 H new ATOM 1008 N SER A 64 -6.923 12.897 -1.291 1.00 0.00 N ATOM 1009 CA SER A 64 -7.282 13.682 -2.456 1.00 0.00 C ATOM 1010 C SER A 64 -7.109 12.889 -3.757 1.00 0.00 C ATOM 1011 O SER A 64 -6.305 11.958 -3.836 1.00 0.00 O ATOM 1012 CB SER A 64 -6.393 14.937 -2.458 1.00 0.00 C ATOM 1013 OG SER A 64 -6.071 15.282 -1.118 1.00 0.00 O ATOM 0 H SER A 64 -6.033 13.182 -0.883 1.00 0.00 H new ATOM 0 HA SER A 64 -8.336 13.954 -2.404 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.482 14.752 -3.028 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.911 15.763 -2.945 1.00 0.00 H new ATOM 0 HG SER A 64 -5.503 16.081 -1.113 1.00 0.00 H new ATOM 1019 N THR A 65 -7.828 13.305 -4.800 1.00 0.00 N ATOM 1020 CA THR A 65 -7.704 12.822 -6.169 1.00 0.00 C ATOM 1021 C THR A 65 -6.242 12.605 -6.581 1.00 0.00 C ATOM 1022 O THR A 65 -5.884 11.527 -7.057 1.00 0.00 O ATOM 1023 CB THR A 65 -8.433 13.829 -7.067 1.00 0.00 C ATOM 1024 OG1 THR A 65 -9.729 14.014 -6.527 1.00 0.00 O ATOM 1025 CG2 THR A 65 -8.542 13.356 -8.519 1.00 0.00 C ATOM 0 H THR A 65 -8.546 14.023 -4.705 1.00 0.00 H new ATOM 0 HA THR A 65 -8.160 11.837 -6.268 1.00 0.00 H new ATOM 0 HB THR A 65 -7.864 14.759 -7.088 1.00 0.00 H new ATOM 0 HG1 THR A 65 -9.759 14.859 -6.031 1.00 0.00 H new ATOM 0 HG21 THR A 65 -9.067 14.108 -9.108 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.543 13.206 -8.929 1.00 0.00 H new ATOM 0 HG23 THR A 65 -9.094 12.417 -8.555 1.00 0.00 H new ATOM 1033 N ASP A 66 -5.394 13.611 -6.357 1.00 0.00 N ATOM 1034 CA ASP A 66 -3.960 13.558 -6.604 1.00 0.00 C ATOM 1035 C ASP A 66 -3.351 12.276 -6.053 1.00 0.00 C ATOM 1036 O ASP A 66 -2.679 11.535 -6.768 1.00 0.00 O ATOM 1037 CB ASP A 66 -3.297 14.769 -5.940 1.00 0.00 C ATOM 1038 CG ASP A 66 -3.852 16.062 -6.506 1.00 0.00 C ATOM 1039 OD1 ASP A 66 -5.043 16.310 -6.205 1.00 0.00 O ATOM 1040 OD2 ASP A 66 -3.099 16.742 -7.234 1.00 0.00 O ATOM 0 H ASP A 66 -5.700 14.511 -5.987 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.790 13.575 -7.681 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.464 14.736 -4.863 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.219 14.731 -6.097 1.00 0.00 H new ATOM 1045 N ALA A 67 -3.598 12.009 -4.769 1.00 0.00 N ATOM 1046 CA ALA A 67 -3.095 10.818 -4.115 1.00 0.00 C ATOM 1047 C ALA A 67 -3.601 9.576 -4.838 1.00 0.00 C ATOM 1048 O ALA A 67 -2.825 8.652 -5.060 1.00 0.00 O ATOM 1049 CB ALA A 67 -3.507 10.793 -2.646 1.00 0.00 C ATOM 0 H ALA A 67 -4.151 12.615 -4.163 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.006 10.829 -4.157 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.119 9.890 -2.175 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.103 11.669 -2.140 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.595 10.801 -2.573 1.00 0.00 H new ATOM 1055 N ARG A 68 -4.881 9.540 -5.222 1.00 0.00 N ATOM 1056 CA ARG A 68 -5.409 8.403 -5.967 1.00 0.00 C ATOM 1057 C ARG A 68 -4.583 8.138 -7.227 1.00 0.00 C ATOM 1058 O ARG A 68 -4.104 7.019 -7.414 1.00 0.00 O ATOM 1059 CB ARG A 68 -6.897 8.551 -6.301 1.00 0.00 C ATOM 1060 CG ARG A 68 -7.758 8.684 -5.038 1.00 0.00 C ATOM 1061 CD ARG A 68 -9.129 8.041 -5.279 1.00 0.00 C ATOM 1062 NE ARG A 68 -9.992 8.112 -4.085 1.00 0.00 N ATOM 1063 CZ ARG A 68 -11.153 7.448 -3.953 1.00 0.00 C ATOM 1064 NH1 ARG A 68 -11.628 6.753 -4.996 1.00 0.00 N ATOM 1065 NH2 ARG A 68 -11.828 7.472 -2.798 1.00 0.00 N ATOM 0 H ARG A 68 -5.560 10.277 -5.030 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.324 7.536 -5.312 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.042 9.428 -6.933 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.228 7.686 -6.876 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.262 8.202 -4.195 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -7.879 9.735 -4.777 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -9.622 8.541 -6.113 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -8.994 6.998 -5.567 1.00 0.00 H new ATOM 0 HE ARG A 68 -9.688 8.702 -3.311 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -11.110 6.733 -5.874 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -12.508 6.244 -4.911 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -11.463 7.999 -2.005 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -12.708 6.964 -2.711 1.00 0.00 H new ATOM 1079 N GLU A 69 -4.384 9.143 -8.085 1.00 0.00 N ATOM 1080 CA GLU A 69 -3.573 8.929 -9.280 1.00 0.00 C ATOM 1081 C GLU A 69 -2.151 8.516 -8.900 1.00 0.00 C ATOM 1082 O GLU A 69 -1.588 7.576 -9.462 1.00 0.00 O ATOM 1083 CB GLU A 69 -3.539 10.166 -10.179 1.00 0.00 C ATOM 1084 CG GLU A 69 -4.937 10.720 -10.473 1.00 0.00 C ATOM 1085 CD GLU A 69 -4.964 11.454 -11.808 1.00 0.00 C ATOM 1086 OE1 GLU A 69 -3.978 12.171 -12.083 1.00 0.00 O ATOM 1087 OE2 GLU A 69 -5.956 11.252 -12.540 1.00 0.00 O ATOM 0 H GLU A 69 -4.762 10.084 -7.978 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.040 8.122 -9.844 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.938 10.941 -9.702 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.047 9.914 -11.119 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.660 9.904 -10.488 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.239 11.398 -9.675 1.00 0.00 H new ATOM 1094 N LEU A 70 -1.567 9.207 -7.922 1.00 0.00 N ATOM 1095 CA LEU A 70 -0.208 8.941 -7.487 1.00 0.00 C ATOM 1096 C LEU A 70 -0.071 7.508 -6.960 1.00 0.00 C ATOM 1097 O LEU A 70 0.966 6.879 -7.149 1.00 0.00 O ATOM 1098 CB LEU A 70 0.222 10.002 -6.467 1.00 0.00 C ATOM 1099 CG LEU A 70 1.747 10.143 -6.356 1.00 0.00 C ATOM 1100 CD1 LEU A 70 2.366 10.761 -7.619 1.00 0.00 C ATOM 1101 CD2 LEU A 70 2.077 11.037 -5.156 1.00 0.00 C ATOM 0 H LEU A 70 -2.026 9.963 -7.414 1.00 0.00 H new ATOM 0 HA LEU A 70 0.471 9.012 -8.337 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.207 10.964 -6.748 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.186 9.745 -5.489 1.00 0.00 H new ATOM 0 HG LEU A 70 2.166 9.144 -6.232 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.446 10.841 -7.493 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.146 10.128 -8.479 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.946 11.753 -7.782 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.158 11.144 -5.068 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.626 12.019 -5.299 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.682 10.585 -4.246 1.00 0.00 H new ATOM 1113 N SER A 71 -1.129 6.950 -6.362 1.00 0.00 N ATOM 1114 CA SER A 71 -1.181 5.532 -6.027 1.00 0.00 C ATOM 1115 C SER A 71 -0.803 4.706 -7.254 1.00 0.00 C ATOM 1116 O SER A 71 0.045 3.826 -7.177 1.00 0.00 O ATOM 1117 CB SER A 71 -2.573 5.099 -5.537 1.00 0.00 C ATOM 1118 OG SER A 71 -3.138 6.004 -4.613 1.00 0.00 O ATOM 0 H SER A 71 -1.967 7.469 -6.100 1.00 0.00 H new ATOM 0 HA SER A 71 -0.474 5.362 -5.215 1.00 0.00 H new ATOM 0 HB2 SER A 71 -3.239 5.000 -6.394 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.500 4.115 -5.075 1.00 0.00 H new ATOM 0 HG SER A 71 -3.088 6.914 -4.974 1.00 0.00 H new ATOM 1124 N LYS A 72 -1.420 4.994 -8.401 1.00 0.00 N ATOM 1125 CA LYS A 72 -1.206 4.225 -9.616 1.00 0.00 C ATOM 1126 C LYS A 72 0.274 4.192 -10.000 1.00 0.00 C ATOM 1127 O LYS A 72 0.806 3.132 -10.307 1.00 0.00 O ATOM 1128 CB LYS A 72 -2.104 4.743 -10.747 1.00 0.00 C ATOM 1129 CG LYS A 72 -3.124 3.670 -11.146 1.00 0.00 C ATOM 1130 CD LYS A 72 -4.167 4.265 -12.097 1.00 0.00 C ATOM 1131 CE LYS A 72 -5.216 3.209 -12.469 1.00 0.00 C ATOM 1132 NZ LYS A 72 -6.295 3.779 -13.303 1.00 0.00 N ATOM 0 H LYS A 72 -2.079 5.765 -8.508 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.494 3.190 -9.429 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -2.622 5.646 -10.425 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.495 5.015 -11.609 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -2.616 2.835 -11.628 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -3.615 3.275 -10.257 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -4.653 5.119 -11.625 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -3.678 4.634 -12.998 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.735 2.392 -13.006 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -5.644 2.785 -11.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -6.985 3.036 -13.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -6.771 4.542 -12.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -5.890 4.161 -14.182 1.00 0.00 H new ATOM 1146 N THR A 73 0.964 5.329 -9.921 1.00 0.00 N ATOM 1147 CA THR A 73 2.405 5.407 -10.118 1.00 0.00 C ATOM 1148 C THR A 73 3.187 4.410 -9.238 1.00 0.00 C ATOM 1149 O THR A 73 4.278 3.992 -9.620 1.00 0.00 O ATOM 1150 CB THR A 73 2.811 6.869 -9.883 1.00 0.00 C ATOM 1151 OG1 THR A 73 2.202 7.684 -10.865 1.00 0.00 O ATOM 1152 CG2 THR A 73 4.312 7.105 -9.930 1.00 0.00 C ATOM 0 H THR A 73 0.531 6.229 -9.716 1.00 0.00 H new ATOM 0 HA THR A 73 2.663 5.108 -11.134 1.00 0.00 H new ATOM 0 HB THR A 73 2.476 7.122 -8.877 1.00 0.00 H new ATOM 0 HG1 THR A 73 2.457 8.619 -10.718 1.00 0.00 H new ATOM 0 HG21 THR A 73 4.520 8.161 -9.755 1.00 0.00 H new ATOM 0 HG22 THR A 73 4.799 6.507 -9.160 1.00 0.00 H new ATOM 0 HG23 THR A 73 4.695 6.817 -10.909 1.00 0.00 H new ATOM 1160 N TYR A 74 2.647 4.013 -8.080 1.00 0.00 N ATOM 1161 CA TYR A 74 3.284 3.096 -7.139 1.00 0.00 C ATOM 1162 C TYR A 74 2.692 1.686 -7.211 1.00 0.00 C ATOM 1163 O TYR A 74 3.067 0.810 -6.428 1.00 0.00 O ATOM 1164 CB TYR A 74 3.110 3.646 -5.721 1.00 0.00 C ATOM 1165 CG TYR A 74 3.868 4.930 -5.448 1.00 0.00 C ATOM 1166 CD1 TYR A 74 5.269 4.959 -5.568 1.00 0.00 C ATOM 1167 CD2 TYR A 74 3.179 6.096 -5.066 1.00 0.00 C ATOM 1168 CE1 TYR A 74 5.959 6.180 -5.471 1.00 0.00 C ATOM 1169 CE2 TYR A 74 3.879 7.304 -4.912 1.00 0.00 C ATOM 1170 CZ TYR A 74 5.253 7.362 -5.193 1.00 0.00 C ATOM 1171 OH TYR A 74 5.888 8.568 -5.208 1.00 0.00 O ATOM 0 H TYR A 74 1.730 4.332 -7.767 1.00 0.00 H new ATOM 0 HA TYR A 74 4.339 3.021 -7.403 1.00 0.00 H new ATOM 0 HB2 TYR A 74 2.049 3.819 -5.540 1.00 0.00 H new ATOM 0 HB3 TYR A 74 3.435 2.888 -5.008 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.815 4.042 -5.735 1.00 0.00 H new ATOM 0 HD2 TYR A 74 2.114 6.062 -4.892 1.00 0.00 H new ATOM 0 HE1 TYR A 74 7.030 6.209 -5.610 1.00 0.00 H new ATOM 0 HE2 TYR A 74 3.359 8.189 -4.577 1.00 0.00 H new ATOM 0 HH TYR A 74 5.801 8.995 -4.330 1.00 0.00 H new ATOM 1181 N ILE A 75 1.734 1.461 -8.110 1.00 0.00 N ATOM 1182 CA ILE A 75 1.041 0.189 -8.192 1.00 0.00 C ATOM 1183 C ILE A 75 2.026 -0.892 -8.618 1.00 0.00 C ATOM 1184 O ILE A 75 2.672 -0.768 -9.657 1.00 0.00 O ATOM 1185 CB ILE A 75 -0.190 0.310 -9.101 1.00 0.00 C ATOM 1186 CG1 ILE A 75 -1.223 -0.759 -8.706 1.00 0.00 C ATOM 1187 CG2 ILE A 75 0.124 0.212 -10.604 1.00 0.00 C ATOM 1188 CD1 ILE A 75 -2.578 -0.497 -9.359 1.00 0.00 C ATOM 0 H ILE A 75 1.423 2.152 -8.793 1.00 0.00 H new ATOM 0 HA ILE A 75 0.655 -0.105 -7.216 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.590 1.312 -8.948 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.860 -1.744 -9.001 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.337 -0.773 -7.622 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.799 0.307 -11.176 1.00 0.00 H new ATOM 0 HG22 ILE A 75 0.809 1.012 -10.886 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.585 -0.752 -10.817 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.283 -1.272 -9.058 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.952 0.477 -9.043 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.468 -0.509 -10.443 1.00 0.00 H new ATOM 1200 N ILE A 76 2.156 -1.944 -7.810 1.00 0.00 N ATOM 1201 CA ILE A 76 2.942 -3.099 -8.205 1.00 0.00 C ATOM 1202 C ILE A 76 2.002 -4.164 -8.761 1.00 0.00 C ATOM 1203 O ILE A 76 2.296 -4.745 -9.803 1.00 0.00 O ATOM 1204 CB ILE A 76 3.871 -3.575 -7.074 1.00 0.00 C ATOM 1205 CG1 ILE A 76 3.126 -3.888 -5.769 1.00 0.00 C ATOM 1206 CG2 ILE A 76 4.958 -2.515 -6.839 1.00 0.00 C ATOM 1207 CD1 ILE A 76 4.030 -4.548 -4.732 1.00 0.00 C ATOM 0 H ILE A 76 1.729 -2.015 -6.887 1.00 0.00 H new ATOM 0 HA ILE A 76 3.633 -2.835 -9.006 1.00 0.00 H new ATOM 0 HB ILE A 76 4.322 -4.515 -7.391 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.716 -2.966 -5.357 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.282 -4.544 -5.983 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.621 -2.845 -6.039 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.535 -2.376 -7.754 1.00 0.00 H new ATOM 0 HG23 ILE A 76 4.491 -1.571 -6.558 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.458 -4.750 -3.826 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.419 -5.484 -5.132 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.860 -3.882 -4.496 1.00 0.00 H new ATOM 1219 N GLY A 77 0.860 -4.406 -8.112 1.00 0.00 N ATOM 1220 CA GLY A 77 -0.052 -5.447 -8.551 1.00 0.00 C ATOM 1221 C GLY A 77 -1.362 -5.411 -7.770 1.00 0.00 C ATOM 1222 O GLY A 77 -1.771 -4.338 -7.325 1.00 0.00 O ATOM 0 H GLY A 77 0.552 -3.894 -7.285 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.258 -5.326 -9.614 1.00 0.00 H new ATOM 0 HA3 GLY A 77 0.420 -6.422 -8.426 1.00 0.00 H new ATOM 1226 N GLU A 78 -2.021 -6.565 -7.611 1.00 0.00 N ATOM 1227 CA GLU A 78 -3.357 -6.658 -7.027 1.00 0.00 C ATOM 1228 C GLU A 78 -3.414 -7.796 -6.006 1.00 0.00 C ATOM 1229 O GLU A 78 -2.507 -8.628 -5.947 1.00 0.00 O ATOM 1230 CB GLU A 78 -4.440 -6.832 -8.110 1.00 0.00 C ATOM 1231 CG GLU A 78 -4.157 -6.085 -9.426 1.00 0.00 C ATOM 1232 CD GLU A 78 -5.300 -6.145 -10.439 1.00 0.00 C ATOM 1233 OE1 GLU A 78 -6.164 -7.043 -10.322 1.00 0.00 O ATOM 1234 OE2 GLU A 78 -5.288 -5.283 -11.341 1.00 0.00 O ATOM 0 H GLU A 78 -1.635 -7.467 -7.888 1.00 0.00 H new ATOM 0 HA GLU A 78 -3.564 -5.720 -6.512 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.550 -7.894 -8.327 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -5.394 -6.488 -7.710 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.942 -5.041 -9.199 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.260 -6.503 -9.882 1.00 0.00 H new ATOM 1241 N LEU A 79 -4.477 -7.836 -5.199 1.00 0.00 N ATOM 1242 CA LEU A 79 -4.741 -8.994 -4.358 1.00 0.00 C ATOM 1243 C LEU A 79 -5.045 -10.207 -5.237 1.00 0.00 C ATOM 1244 O LEU A 79 -5.839 -10.107 -6.172 1.00 0.00 O ATOM 1245 CB LEU A 79 -5.927 -8.746 -3.413 1.00 0.00 C ATOM 1246 CG LEU A 79 -5.625 -7.908 -2.160 1.00 0.00 C ATOM 1247 CD1 LEU A 79 -6.829 -8.034 -1.217 1.00 0.00 C ATOM 1248 CD2 LEU A 79 -4.367 -8.386 -1.426 1.00 0.00 C ATOM 0 H LEU A 79 -5.161 -7.084 -5.114 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.853 -9.178 -3.753 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.717 -8.250 -3.976 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.320 -9.711 -3.094 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.449 -6.877 -2.466 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -6.647 -7.450 -0.315 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.723 -7.661 -1.717 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -6.973 -9.081 -0.948 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.198 -7.761 -0.549 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.499 -9.422 -1.114 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.508 -8.315 -2.093 1.00 0.00 H new ATOM 1260 N HIS A 80 -4.423 -11.348 -4.926 1.00 0.00 N ATOM 1261 CA HIS A 80 -4.640 -12.614 -5.614 1.00 0.00 C ATOM 1262 C HIS A 80 -6.139 -12.901 -5.829 1.00 0.00 C ATOM 1263 O HIS A 80 -6.941 -12.716 -4.907 1.00 0.00 O ATOM 1264 CB HIS A 80 -3.946 -13.729 -4.816 1.00 0.00 C ATOM 1265 CG HIS A 80 -3.593 -14.952 -5.620 1.00 0.00 C ATOM 1266 ND1 HIS A 80 -4.156 -16.202 -5.505 1.00 0.00 N ATOM 1267 CD2 HIS A 80 -2.585 -15.037 -6.544 1.00 0.00 C ATOM 1268 CE1 HIS A 80 -3.527 -17.011 -6.374 1.00 0.00 C ATOM 1269 NE2 HIS A 80 -2.566 -16.345 -7.034 1.00 0.00 N ATOM 0 H HIS A 80 -3.740 -11.414 -4.171 1.00 0.00 H new ATOM 0 HA HIS A 80 -4.204 -12.564 -6.612 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -3.035 -13.327 -4.373 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -4.596 -14.027 -3.993 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -1.924 -14.236 -6.840 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -3.762 -18.055 -6.521 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -1.945 -16.720 -7.751 1.00 0.00 H new ATOM 1277 N PRO A 81 -6.537 -13.346 -7.036 1.00 0.00 N ATOM 1278 CA PRO A 81 -7.935 -13.482 -7.415 1.00 0.00 C ATOM 1279 C PRO A 81 -8.693 -14.449 -6.499 1.00 0.00 C ATOM 1280 O PRO A 81 -9.886 -14.262 -6.254 1.00 0.00 O ATOM 1281 CB PRO A 81 -7.952 -13.920 -8.882 1.00 0.00 C ATOM 1282 CG PRO A 81 -6.561 -14.509 -9.103 1.00 0.00 C ATOM 1283 CD PRO A 81 -5.687 -13.693 -8.160 1.00 0.00 C ATOM 0 HA PRO A 81 -8.459 -12.533 -7.300 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -8.733 -14.657 -9.070 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -8.140 -13.078 -9.549 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -6.530 -15.572 -8.863 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -6.240 -14.407 -10.140 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.821 -14.269 -7.833 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.307 -12.799 -8.654 1.00 0.00 H new ATOM 1291 N ASP A 82 -7.978 -15.463 -5.999 1.00 0.00 N ATOM 1292 CA ASP A 82 -8.436 -16.426 -5.007 1.00 0.00 C ATOM 1293 C ASP A 82 -9.208 -15.727 -3.883 1.00 0.00 C ATOM 1294 O ASP A 82 -10.430 -15.843 -3.785 1.00 0.00 O ATOM 1295 CB ASP A 82 -7.200 -17.160 -4.469 1.00 0.00 C ATOM 1296 CG ASP A 82 -7.537 -18.220 -3.431 1.00 0.00 C ATOM 1297 OD1 ASP A 82 -8.685 -18.707 -3.450 1.00 0.00 O ATOM 1298 OD2 ASP A 82 -6.611 -18.531 -2.653 1.00 0.00 O ATOM 0 H ASP A 82 -7.017 -15.638 -6.294 1.00 0.00 H new ATOM 0 HA ASP A 82 -9.125 -17.141 -5.458 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -6.674 -17.629 -5.300 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -6.517 -16.434 -4.029 1.00 0.00 H new ATOM 1303 N ASP A 83 -8.491 -14.939 -3.072 1.00 0.00 N ATOM 1304 CA ASP A 83 -9.114 -14.185 -1.999 1.00 0.00 C ATOM 1305 C ASP A 83 -10.028 -13.114 -2.583 1.00 0.00 C ATOM 1306 O ASP A 83 -11.119 -12.903 -2.078 1.00 0.00 O ATOM 1307 CB ASP A 83 -8.078 -13.566 -1.057 1.00 0.00 C ATOM 1308 CG ASP A 83 -8.752 -13.145 0.244 1.00 0.00 C ATOM 1309 OD1 ASP A 83 -9.069 -14.059 1.036 1.00 0.00 O ATOM 1310 OD2 ASP A 83 -8.918 -11.921 0.427 1.00 0.00 O ATOM 0 H ASP A 83 -7.481 -14.813 -3.145 1.00 0.00 H new ATOM 0 HA ASP A 83 -9.709 -14.876 -1.403 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -7.285 -14.285 -0.851 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.611 -12.703 -1.531 1.00 0.00 H new ATOM 1315 N ARG A 84 -9.633 -12.450 -3.676 1.00 0.00 N ATOM 1316 CA ARG A 84 -10.449 -11.390 -4.266 1.00 0.00 C ATOM 1317 C ARG A 84 -11.911 -11.804 -4.478 1.00 0.00 C ATOM 1318 O ARG A 84 -12.820 -11.039 -4.158 1.00 0.00 O ATOM 1319 CB ARG A 84 -9.851 -10.939 -5.595 1.00 0.00 C ATOM 1320 CG ARG A 84 -10.599 -9.748 -6.205 1.00 0.00 C ATOM 1321 CD ARG A 84 -11.468 -10.186 -7.393 1.00 0.00 C ATOM 1322 NE ARG A 84 -12.110 -9.016 -8.002 1.00 0.00 N ATOM 1323 CZ ARG A 84 -12.614 -8.985 -9.244 1.00 0.00 C ATOM 1324 NH1 ARG A 84 -13.089 -10.103 -9.805 1.00 0.00 N ATOM 1325 NH2 ARG A 84 -12.617 -7.830 -9.915 1.00 0.00 N ATOM 0 H ARG A 84 -8.756 -12.629 -4.166 1.00 0.00 H new ATOM 0 HA ARG A 84 -10.446 -10.566 -3.552 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -8.806 -10.669 -5.446 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -9.867 -11.772 -6.298 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -11.226 -9.281 -5.445 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -9.883 -8.995 -6.533 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -10.855 -10.701 -8.133 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -12.226 -10.894 -7.058 1.00 0.00 H new ATOM 0 HE ARG A 84 -12.178 -8.167 -7.441 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -13.068 -10.982 -9.288 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -13.472 -10.076 -10.750 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -12.239 -6.987 -9.482 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -12.997 -7.791 -10.861 1.00 0.00 H new ATOM 1339 N SER A 85 -12.156 -12.987 -5.054 1.00 0.00 N ATOM 1340 CA SER A 85 -13.523 -13.444 -5.303 1.00 0.00 C ATOM 1341 C SER A 85 -14.313 -13.626 -4.008 1.00 0.00 C ATOM 1342 O SER A 85 -15.540 -13.716 -4.051 1.00 0.00 O ATOM 1343 CB SER A 85 -13.536 -14.772 -6.064 1.00 0.00 C ATOM 1344 OG SER A 85 -14.862 -15.050 -6.483 1.00 0.00 O ATOM 0 H SER A 85 -11.430 -13.638 -5.353 1.00 0.00 H new ATOM 0 HA SER A 85 -13.995 -12.666 -5.904 1.00 0.00 H new ATOM 0 HB2 SER A 85 -12.872 -14.718 -6.927 1.00 0.00 H new ATOM 0 HB3 SER A 85 -13.166 -15.575 -5.427 1.00 0.00 H new ATOM 0 HG SER A 85 -15.494 -14.703 -5.820 1.00 0.00 H new ATOM 1350 N LYS A 86 -13.615 -13.769 -2.887 1.00 0.00 N ATOM 1351 CA LYS A 86 -14.172 -14.057 -1.591 1.00 0.00 C ATOM 1352 C LYS A 86 -13.380 -13.221 -0.595 1.00 0.00 C ATOM 1353 O LYS A 86 -12.717 -13.783 0.276 1.00 0.00 O ATOM 1354 CB LYS A 86 -14.024 -15.563 -1.329 1.00 0.00 C ATOM 1355 CG LYS A 86 -14.700 -16.022 -0.027 1.00 0.00 C ATOM 1356 CD LYS A 86 -14.010 -17.299 0.465 1.00 0.00 C ATOM 1357 CE LYS A 86 -14.550 -17.735 1.833 1.00 0.00 C ATOM 1358 NZ LYS A 86 -13.645 -18.703 2.486 1.00 0.00 N ATOM 0 H LYS A 86 -12.599 -13.681 -2.867 1.00 0.00 H new ATOM 0 HA LYS A 86 -15.231 -13.813 -1.511 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -14.452 -16.114 -2.166 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -12.964 -15.816 -1.289 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -14.631 -15.240 0.730 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -15.760 -16.208 -0.198 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -14.162 -18.099 -0.260 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -12.935 -17.131 0.533 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -14.673 -16.861 2.473 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -15.537 -18.182 1.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -14.038 -18.978 3.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -13.548 -19.547 1.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -12.711 -18.267 2.624 1.00 0.00 H new ATOM 1372 N ILE A 87 -13.480 -11.888 -0.689 1.00 0.00 N ATOM 1373 CA ILE A 87 -13.095 -11.021 0.419 1.00 0.00 C ATOM 1374 C ILE A 87 -14.160 -11.239 1.492 1.00 0.00 C ATOM 1375 O ILE A 87 -15.010 -10.395 1.772 1.00 0.00 O ATOM 1376 CB ILE A 87 -12.862 -9.559 -0.022 1.00 0.00 C ATOM 1377 CG1 ILE A 87 -11.667 -9.557 -0.994 1.00 0.00 C ATOM 1378 CG2 ILE A 87 -12.545 -8.630 1.166 1.00 0.00 C ATOM 1379 CD1 ILE A 87 -11.192 -8.160 -1.399 1.00 0.00 C ATOM 0 H ILE A 87 -13.821 -11.396 -1.515 1.00 0.00 H new ATOM 0 HA ILE A 87 -12.118 -11.273 0.832 1.00 0.00 H new ATOM 0 HB ILE A 87 -13.773 -9.184 -0.488 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -10.837 -10.092 -0.533 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -11.942 -10.110 -1.892 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -12.390 -7.614 0.802 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -13.378 -8.640 1.868 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -11.642 -8.977 1.669 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -10.348 -8.247 -2.084 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -12.006 -7.627 -1.891 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -10.883 -7.609 -0.511 1.00 0.00 H new ATOM 1391 N ALA A 88 -14.094 -12.434 2.085 1.00 0.00 N ATOM 1392 CA ALA A 88 -14.585 -12.689 3.405 1.00 0.00 C ATOM 1393 C ALA A 88 -13.863 -11.698 4.294 1.00 0.00 C ATOM 1394 O ALA A 88 -12.754 -11.236 4.024 1.00 0.00 O ATOM 1395 CB ALA A 88 -14.346 -14.143 3.817 1.00 0.00 C ATOM 0 H ALA A 88 -13.687 -13.255 1.637 1.00 0.00 H new ATOM 0 HA ALA A 88 -15.665 -12.559 3.478 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -14.730 -14.304 4.824 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -14.860 -14.807 3.122 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -13.277 -14.355 3.798 1.00 0.00 H new ATOM 1401 N LYS A 89 -14.614 -11.250 5.273 1.00 0.00 N ATOM 1402 CA LYS A 89 -14.556 -9.869 5.656 1.00 0.00 C ATOM 1403 C LYS A 89 -13.367 -9.729 6.607 1.00 0.00 C ATOM 1404 O LYS A 89 -13.242 -10.563 7.505 1.00 0.00 O ATOM 1405 CB LYS A 89 -15.954 -9.598 6.228 1.00 0.00 C ATOM 1406 CG LYS A 89 -16.263 -8.159 6.628 1.00 0.00 C ATOM 1407 CD LYS A 89 -15.380 -7.802 7.820 1.00 0.00 C ATOM 1408 CE LYS A 89 -16.026 -6.897 8.863 1.00 0.00 C ATOM 1409 NZ LYS A 89 -15.269 -7.022 10.126 1.00 0.00 N ATOM 0 H LYS A 89 -15.266 -11.821 5.812 1.00 0.00 H new ATOM 0 HA LYS A 89 -14.370 -9.127 4.879 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -16.691 -9.911 5.488 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -16.092 -10.232 7.104 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -16.071 -7.482 5.795 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -17.316 -8.053 6.889 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -15.067 -8.725 8.308 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -14.478 -7.315 7.450 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -16.023 -5.862 8.521 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -17.068 -7.179 9.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -15.338 -6.133 10.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -15.665 -7.799 10.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -14.271 -7.222 9.914 1.00 0.00 H new ATOM 1423 N PRO A 90 -12.490 -8.721 6.445 1.00 0.00 N ATOM 1424 CA PRO A 90 -11.364 -8.561 7.339 1.00 0.00 C ATOM 1425 C PRO A 90 -11.842 -8.554 8.788 1.00 0.00 C ATOM 1426 O PRO A 90 -12.773 -7.822 9.160 1.00 0.00 O ATOM 1427 CB PRO A 90 -10.680 -7.239 6.954 1.00 0.00 C ATOM 1428 CG PRO A 90 -11.754 -6.485 6.173 1.00 0.00 C ATOM 1429 CD PRO A 90 -12.530 -7.617 5.496 1.00 0.00 C ATOM 0 HA PRO A 90 -10.657 -9.386 7.250 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -10.362 -6.682 7.835 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -9.791 -7.411 6.347 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -12.391 -5.892 6.829 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -11.320 -5.799 5.445 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -13.556 -7.319 5.281 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -12.073 -7.896 4.546 1.00 0.00 H new ATOM 1437 N SER A 91 -11.130 -9.295 9.637 1.00 0.00 N ATOM 1438 CA SER A 91 -11.018 -8.892 11.022 1.00 0.00 C ATOM 1439 C SER A 91 -10.149 -7.634 11.031 1.00 0.00 C ATOM 1440 O SER A 91 -9.001 -7.702 11.451 1.00 0.00 O ATOM 1441 CB SER A 91 -10.455 -10.024 11.898 1.00 0.00 C ATOM 1442 OG SER A 91 -10.988 -9.926 13.206 1.00 0.00 O ATOM 0 H SER A 91 -10.637 -10.154 9.391 1.00 0.00 H new ATOM 0 HA SER A 91 -11.993 -8.674 11.457 1.00 0.00 H new ATOM 0 HB2 SER A 91 -10.706 -10.992 11.464 1.00 0.00 H new ATOM 0 HB3 SER A 91 -9.367 -9.963 11.933 1.00 0.00 H new ATOM 0 HG SER A 91 -10.629 -10.650 13.761 1.00 0.00 H new ATOM 1448 N GLU A 92 -10.735 -6.539 10.529 1.00 0.00 N ATOM 1449 CA GLU A 92 -10.806 -5.247 11.171 1.00 0.00 C ATOM 1450 C GLU A 92 -9.456 -4.577 11.454 1.00 0.00 C ATOM 1451 O GLU A 92 -8.500 -5.205 11.898 1.00 0.00 O ATOM 1452 CB GLU A 92 -11.626 -5.457 12.458 1.00 0.00 C ATOM 1453 CG GLU A 92 -12.476 -4.246 12.865 1.00 0.00 C ATOM 1454 CD GLU A 92 -12.502 -4.058 14.377 1.00 0.00 C ATOM 1455 OE1 GLU A 92 -12.542 -5.094 15.074 1.00 0.00 O ATOM 1456 OE2 GLU A 92 -12.472 -2.884 14.800 1.00 0.00 O ATOM 0 H GLU A 92 -11.192 -6.545 9.617 1.00 0.00 H new ATOM 0 HA GLU A 92 -11.278 -4.541 10.487 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -12.281 -6.318 12.322 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -10.945 -5.700 13.274 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -12.078 -3.347 12.393 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -13.494 -4.376 12.497 1.00 0.00 H new ATOM 1463 N THR A 93 -9.445 -3.252 11.392 1.00 0.00 N ATOM 1464 CA THR A 93 -9.254 -2.444 12.585 1.00 0.00 C ATOM 1465 C THR A 93 -8.258 -1.321 12.334 1.00 0.00 C ATOM 1466 O THR A 93 -7.104 -1.561 11.975 1.00 0.00 O ATOM 1467 CB THR A 93 -8.961 -3.246 13.885 1.00 0.00 C ATOM 1468 OG1 THR A 93 -7.652 -3.778 13.931 1.00 0.00 O ATOM 1469 CG2 THR A 93 -9.161 -2.416 15.153 1.00 0.00 C ATOM 0 H THR A 93 -9.566 -2.718 10.532 1.00 0.00 H new ATOM 0 HA THR A 93 -10.223 -1.989 12.789 1.00 0.00 H new ATOM 0 HB THR A 93 -9.685 -4.060 13.854 1.00 0.00 H new ATOM 0 HG1 THR A 93 -7.547 -4.450 13.225 1.00 0.00 H new ATOM 0 HG21 THR A 93 -8.942 -3.029 16.027 1.00 0.00 H new ATOM 0 HG22 THR A 93 -8.491 -1.557 15.135 1.00 0.00 H new ATOM 0 HG23 THR A 93 -10.193 -2.070 15.202 1.00 0.00 H new ATOM 1477 N LEU A 94 -8.720 -0.109 12.648 1.00 0.00 N ATOM 1478 CA LEU A 94 -7.924 1.007 13.126 1.00 0.00 C ATOM 1479 C LEU A 94 -7.630 2.023 12.020 1.00 0.00 C ATOM 1480 O LEU A 94 -6.821 1.706 11.117 1.00 0.00 O ATOM 1481 CB LEU A 94 -6.656 0.538 13.864 1.00 0.00 C ATOM 1482 CG LEU A 94 -6.362 1.413 15.086 1.00 0.00 C ATOM 1483 CD1 LEU A 94 -7.128 0.884 16.309 1.00 0.00 C ATOM 1484 CD2 LEU A 94 -4.858 1.379 15.359 1.00 0.00 C ATOM 1485 OXT LEU A 94 -8.212 3.123 12.116 1.00 0.00 O ATOM 0 H LEU A 94 -9.710 0.125 12.569 1.00 0.00 H new ATOM 0 HA LEU A 94 -8.527 1.535 13.865 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.779 -0.498 14.178 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -5.806 0.566 13.182 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.682 2.437 14.893 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.913 1.513 17.173 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -8.198 0.903 16.104 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.817 -0.139 16.518 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.632 1.998 16.227 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.547 0.353 15.554 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -4.322 1.762 14.491 1.00 0.00 H new TER 1497 LEU A 94 HETATM 1498 FE HEM A 96 -1.148 9.534 2.257 1.00 0.00 FE HETATM 1499 CHA HEM A 96 -1.333 12.913 2.873 1.00 0.00 C HETATM 1500 CHB HEM A 96 -0.466 10.195 -1.128 1.00 0.00 C HETATM 1501 CHC HEM A 96 -1.143 6.149 1.560 1.00 0.00 C HETATM 1502 CHD HEM A 96 -1.720 8.874 5.632 1.00 0.00 C HETATM 1503 NA HEM A 96 -0.975 11.234 1.077 1.00 0.00 N HETATM 1504 C1A HEM A 96 -1.123 12.495 1.558 1.00 0.00 C HETATM 1505 C2A HEM A 96 -1.063 13.397 0.434 1.00 0.00 C HETATM 1506 C3A HEM A 96 -0.748 12.656 -0.682 1.00 0.00 C HETATM 1507 C4A HEM A 96 -0.715 11.269 -0.274 1.00 0.00 C HETATM 1508 CMA HEM A 96 -0.515 13.218 -2.067 1.00 0.00 C HETATM 1509 CAA HEM A 96 -1.360 14.878 0.473 1.00 0.00 C HETATM 1510 CBA HEM A 96 -2.786 15.185 0.941 1.00 0.00 C HETATM 1511 CGA HEM A 96 -3.153 16.658 0.830 1.00 0.00 C HETATM 1512 O1A HEM A 96 -2.500 17.359 0.027 1.00 0.00 O HETATM 1513 O2A HEM A 96 -4.098 17.055 1.544 1.00 0.00 O HETATM 1514 NB HEM A 96 -0.821 8.393 0.554 1.00 0.00 N HETATM 1515 C1B HEM A 96 -0.534 8.873 -0.708 1.00 0.00 C HETATM 1516 C2B HEM A 96 -0.314 7.740 -1.577 1.00 0.00 C HETATM 1517 C3B HEM A 96 -0.563 6.629 -0.812 1.00 0.00 C HETATM 1518 C4B HEM A 96 -0.863 7.033 0.532 1.00 0.00 C HETATM 1519 CMB HEM A 96 0.108 7.775 -3.026 1.00 0.00 C HETATM 1520 CAB HEM A 96 -0.440 5.191 -1.257 1.00 0.00 C HETATM 1521 CBB HEM A 96 -0.981 4.782 -2.415 1.00 0.00 C HETATM 1522 NC HEM A 96 -1.332 7.823 3.394 1.00 0.00 N HETATM 1523 C1C HEM A 96 -1.347 6.551 2.877 1.00 0.00 C HETATM 1524 C2C HEM A 96 -1.673 5.652 3.954 1.00 0.00 C HETATM 1525 C3C HEM A 96 -1.699 6.409 5.097 1.00 0.00 C HETATM 1526 C4C HEM A 96 -1.571 7.799 4.746 1.00 0.00 C HETATM 1527 CMC HEM A 96 -1.997 4.189 3.838 1.00 0.00 C HETATM 1528 CAC HEM A 96 -2.042 5.893 6.476 1.00 0.00 C HETATM 1529 CBC HEM A 96 -1.558 4.719 6.939 1.00 0.00 C HETATM 1530 ND HEM A 96 -1.461 10.700 3.968 1.00 0.00 N HETATM 1531 C1D HEM A 96 -1.672 10.215 5.225 1.00 0.00 C HETATM 1532 C2D HEM A 96 -1.869 11.355 6.093 1.00 0.00 C HETATM 1533 C3D HEM A 96 -1.720 12.494 5.327 1.00 0.00 C HETATM 1534 C4D HEM A 96 -1.482 12.058 3.967 1.00 0.00 C HETATM 1535 CMD HEM A 96 -2.221 11.305 7.561 1.00 0.00 C HETATM 1536 CAD HEM A 96 -1.929 13.933 5.773 1.00 0.00 C HETATM 1537 CBD HEM A 96 -1.240 14.359 7.076 1.00 0.00 C HETATM 1538 CGD HEM A 96 -1.561 15.812 7.393 1.00 0.00 C HETATM 1539 O1D HEM A 96 -0.742 16.674 7.011 1.00 0.00 O HETATM 1540 O2D HEM A 96 -2.630 16.031 8.002 1.00 0.00 O HETATM 0 HMA1 HEM A 96 0.174 12.572 -2.611 1.00 0.00 H new HETATM 0 HMA2 HEM A 96 -0.088 14.218 -1.987 1.00 0.00 H new HETATM 0 HMA3 HEM A 96 -1.463 13.270 -2.603 1.00 0.00 H new HETATM 0 HMB1 HEM A 96 0.685 6.880 -3.259 1.00 0.00 H new HETATM 0 HMB2 HEM A 96 0.721 8.659 -3.205 1.00 0.00 H new HETATM 0 HMB3 HEM A 96 -0.777 7.812 -3.662 1.00 0.00 H new HETATM 0 HMC1 HEM A 96 -2.465 3.995 2.873 1.00 0.00 H new HETATM 0 HMC2 HEM A 96 -2.681 3.903 4.637 1.00 0.00 H new HETATM 0 HMC3 HEM A 96 -1.080 3.606 3.920 1.00 0.00 H new HETATM 0 HMD1 HEM A 96 -2.806 10.408 7.764 1.00 0.00 H new HETATM 0 HMD2 HEM A 96 -2.804 12.187 7.826 1.00 0.00 H new HETATM 0 HMD3 HEM A 96 -1.307 11.284 8.154 1.00 0.00 H new HETATM 0 HBB1 HEM A 96 -0.885 3.741 -2.724 1.00 0.00 H new HETATM 0 HBB2 HEM A 96 -1.517 5.491 -3.047 1.00 0.00 H new HETATM 0 HBC1 HEM A 96 -1.825 4.376 7.938 1.00 0.00 H new HETATM 0 HBC2 HEM A 96 -0.901 4.116 6.313 1.00 0.00 H new HETATM 0 HBA1 HEM A 96 -2.897 14.867 1.978 1.00 0.00 H new HETATM 0 HBA2 HEM A 96 -3.489 14.597 0.351 1.00 0.00 H new HETATM 0 HAA1 HEM A 96 -1.210 15.300 -0.520 1.00 0.00 H new HETATM 0 HAA2 HEM A 96 -0.650 15.369 1.139 1.00 0.00 H new HETATM 0 HBD1 HEM A 96 -0.162 14.229 6.984 1.00 0.00 H new HETATM 0 HBD2 HEM A 96 -1.569 13.720 7.895 1.00 0.00 H new HETATM 0 HAD1 HEM A 96 -3.000 14.103 5.884 1.00 0.00 H new HETATM 0 HAD2 HEM A 96 -1.583 14.590 4.975 1.00 0.00 H new HETATM 0 HHA HEM A 96 -1.384 13.976 3.058 1.00 0.00 H new HETATM 0 HHB HEM A 96 -0.210 10.399 -2.157 1.00 0.00 H new HETATM 0 HHC HEM A 96 -1.206 5.096 1.329 1.00 0.00 H new HETATM 0 HHD HEM A 96 -1.879 8.660 6.678 1.00 0.00 H new HETATM 0 HAB HEM A 96 0.094 4.477 -0.630 1.00 0.00 H new HETATM 0 HAC HEM A 96 -2.698 6.484 7.115 1.00 0.00 H new CONECT 675 1498 CONECT 1000 1498 CONECT 1498 675 1000 1503 1514 CONECT 1498 1522 1530 CONECT 1499 1504 1534 1541 CONECT 1500 1507 1515 1542 CONECT 1501 1518 1523 1543 CONECT 1502 1526 1531 1544 CONECT 1503 1498 1504 1507 CONECT 1504 1499 1503 1505 CONECT 1505 1504 1506 1509 CONECT 1506 1505 1507 1508 CONECT 1507 1500 1503 1506 CONECT 1508 1506 1545 1546 1547 CONECT 1509 1505 1510 1548 1549 CONECT 1510 1509 1511 1550 1551 CONECT 1511 1510 1512 1513 CONECT 1512 1511 CONECT 1513 1511 CONECT 1514 1498 1515 1518 CONECT 1515 1500 1514 1516 CONECT 1516 1515 1517 1519 CONECT 1517 1516 1518 1520 CONECT 1518 1501 1514 1517 CONECT 1519 1516 1552 1553 1554 CONECT 1520 1517 1521 1555 CONECT 1521 1520 1556 1557 CONECT 1522 1498 1523 1526 CONECT 1523 1501 1522 1524 CONECT 1524 1523 1525 1527 CONECT 1525 1524 1526 1528 CONECT 1526 1502 1522 1525 CONECT 1527 1524 1558 1559 1560 CONECT 1528 1525 1529 1561 CONECT 1529 1528 1562 1563 CONECT 1530 1498 1531 1534 CONECT 1531 1502 1530 1532 CONECT 1532 1531 1533 1535 CONECT 1533 1532 1534 1536 CONECT 1534 1499 1530 1533 CONECT 1535 1532 1564 1565 1566 CONECT 1536 1533 1537 1567 1568 CONECT 1537 1536 1538 1569 1570 CONECT 1538 1537 1539 1540 CONECT 1539 1538 CONECT 1540 1538 CONECT 1541 1499 CONECT 1542 1500 CONECT 1543 1501 CONECT 1544 1502 CONECT 1545 1508 CONECT 1546 1508 CONECT 1547 1508 CONECT 1548 1509 CONECT 1549 1509 CONECT 1550 1510 CONECT 1551 1510 CONECT 1552 1519 CONECT 1553 1519 CONECT 1554 1519 CONECT 1555 1520 CONECT 1556 1521 CONECT 1557 1521 CONECT 1558 1527 CONECT 1559 1527 CONECT 1560 1527 CONECT 1561 1528 CONECT 1562 1529 CONECT 1563 1529 CONECT 1564 1535 CONECT 1565 1535 CONECT 1566 1535 CONECT 1567 1536 CONECT 1568 1536 CONECT 1569 1537 CONECT 1570 1537 END