USER MOD reduce.3.24.130724 H: found=0, std=0, add=850, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 848 hydrogens (31 hets) HEADER ELECTRON TRANSPORT 10-JUN-99 1QQ3 TITLE THE SOLUTION STRUCTURE OF THE HEME BINDING VARIANT ARG98CYS TITLE 2 OF OXIDIZED ESCHERICHIA COLI CYTOCHROME B562 COMPND MOL_ID: 1; COMPND 2 MOLECULE: CYTOCHROME B562; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES; COMPND 5 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 3 ORGANISM_TAXID: 562; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 7 EXPRESSION_SYSTEM_PLASMID: PCEB562 KEYWDS FOUR HELIX BUNDLE, HEMOPROTEIN, ELECTRON TRANSPORT EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR F.ARNESANO,L.BANCI,I.BERTINI,S.CIOFI-BAFFONI,P.D.BARKER, AUTHOR 2 T.WOODYEAR REVDAT 3 24-FEB-09 1QQ3 1 VERSN REVDAT 2 01-APR-03 1QQ3 1 JRNL REVDAT 1 24-MAY-00 1QQ3 0 JRNL AUTH F.ARNESANO,L.BANCI,I.BERTINI,S.CIOFI-BAFFONI, JRNL AUTH 2 T.L.WOODYEAR,C.M.JOHNSON,P.D.BARKER JRNL TITL STRUCTURAL CONSEQUENCES OF B- TO C-TYPE HEME JRNL TITL 2 CONVERSION IN OXIDIZED ESCHERICHIA COLI CYTOCHROME JRNL TITL 3 B562. JRNL REF BIOCHEMISTRY V. 39 1499 2000 JRNL REFN ISSN 0006-2960 JRNL PMID 10684632 JRNL DOI 10.1021/BI991831O REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : AMBER 5.0 REMARK 3 AUTHORS : PEARLMAN, D.A., CASE, D.A., CALDWELL, J.W., REMARK 3 ROSS, W.S., CHEATHAM, T.E., FERGUSON, D.M., REMARK 3 SEIBEL, G.L., SINGH, U.C., WEINER, P.K., & REMARK 3 KOLLMAN, P.A. REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: A TOTAL OF 4325 NOESY CROSS-PEAKS REMARK 3 WAS ASSIGNED, INTEGRATED AND TRANSFORMED IN UPPER DISTANCE REMARK 3 LIMITS; 23 DISTANCE CONSTRAINTS WERE DERIVED FROM 1D NOE REMARK 3 EXPERIMENTS INVOLVING FAST RELAXING PARAMAGNETIC SHIFTED REMARK 3 SIGNALS. TOTALLY, THEY CORRESPONDED TO 2595 UPPER DISTANCE REMARK 3 LIMITS, OF WHICH 2145 WERE FOUND TO BE MEANINGFUL. IN REMARK 3 ADDITION, 45 3JHNHA COUPLINGS OBTAINED FROM THE HNHA 3D REMARK 3 SPECTRUM AND 397 PCS WERE USED FOR THE STRUCTURE CALCULATIONS. REMARK 4 REMARK 4 1QQ3 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 17-JUN-99. REMARK 100 THE RCSB ID CODE IS RCSB009166. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298; 298 REMARK 210 PH : 4.8; 4.8 REMARK 210 IONIC STRENGTH : 500MM PHOSPHATE; 500MM REMARK 210 PHOSPHATE REMARK 210 PRESSURE : AMBIENT; AMBIENT REMARK 210 SAMPLE CONTENTS : 3MM R98C CYTOCHROME B562; REMARK 210 500MM PHOSPHATE BUFFER; 90% REMARK 210 H2O, 10% D2O; 2.5MM R98C REMARK 210 CYTOCHROME B562; 500MM REMARK 210 PHOSPHATE BUFFER; 90% H2O, 10% REMARK 210 D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY, 3D_15N-SEPARATED_ REMARK 210 NOESY, HNHA, 1D NOE REMARK 210 SPECTROMETER FIELD STRENGTH : 800 MHZ, 600 MHZ REMARK 210 SPECTROMETER MODEL : AVANCE REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : XWINNMR, DYANA 1.5, XEASY, REMARK 210 PSEUDODYANA REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS REMARK 210 FOLLOWED BY ENERGY MINIMIZATION REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : ENERGY MINIMIZED AVERAGE REMARK 210 STRUCTURE REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 CB ALA A 1 OD2 ASP A 39 1.99 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 ALA A 1 CA ALA A 1 CB -0.436 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ASP A 21 -39.58 -132.59 REMARK 500 PRO A 56 20.71 -75.18 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 HEB A 107 FE REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS A 102 NE2 REMARK 620 2 MET A 7 SD 171.3 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 HEB A 107 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1QPU RELATED DB: PDB REMARK 900 1QPU CONTAINS THE SOLUTION STRUCTURE OF WILD-TYPE OXIDIZED REMARK 900 ESCHERICHIA COLI CYTOCHROME B562 DBREF 1QQ3 A 1 106 UNP P0ABE7 C562_ECOLI 23 128 SEQADV 1QQ3 CYS A 98 UNP P0ABE7 ARG 120 ENGINEERED SEQRES 1 A 106 ALA ASP LEU GLU ASP ASN MET GLU THR LEU ASN ASP ASN SEQRES 2 A 106 LEU LYS VAL ILE GLU LYS ALA ASP ASN ALA ALA GLN VAL SEQRES 3 A 106 LYS ASP ALA LEU THR LYS MET ARG ALA ALA ALA LEU ASP SEQRES 4 A 106 ALA GLN LYS ALA THR PRO PRO LYS LEU GLU ASP LYS SER SEQRES 5 A 106 PRO ASP SER PRO GLU MET LYS ASP PHE ARG HIS GLY PHE SEQRES 6 A 106 ASP ILE LEU VAL GLY GLN ILE ASP ASP ALA LEU LYS LEU SEQRES 7 A 106 ALA ASN GLU GLY LYS VAL LYS GLU ALA GLN ALA ALA ALA SEQRES 8 A 106 GLU GLN LEU LYS THR THR CYS ASN ALA TYR HIS GLN LYS SEQRES 9 A 106 TYR ARG HET HEB A 107 74 HETNAM HEB HEME B/C HETSYN HEB HYBRID BETWEEN B AND C TYPE HEMES (PROTOPORPHYRIN IX HETSYN 2 HEB CONTAINING FE) FORMUL 2 HEB C34 H34 FE N4 O4 HELIX 1 1 ASP A 2 LYS A 19 1 18 HELIX 2 2 ASN A 22 GLN A 41 1 20 HELIX 3 3 PRO A 45 GLU A 49 5 5 HELIX 4 4 GLU A 57 GLU A 81 1 25 HELIX 5 5 LYS A 83 GLN A 103 1 21 LINK CAB HEB A 107 SG CYS A 98 1555 1555 1.78 LINK FE HEB A 107 NE2 HIS A 102 1555 1555 2.00 LINK FE HEB A 107 SD MET A 7 1555 1555 2.32 SITE *** AC1 12 MET A 7 LEU A 14 PRO A 45 PRO A 46 SITE *** AC1 12 PHE A 61 GLY A 64 PHE A 65 LEU A 68 SITE *** AC1 12 CYS A 98 HIS A 102 TYR A 105 ARG A 106 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 102 HIS HE2 : A 102 HIS NE2 : A 107 HEBFE :(H bumps) USER MOD NoAdj-H: A 107 HEB HAB : A 107 HEB CAB : A 98 CYS SG :(H bumps) USER MOD NoAdj-H: A 107 HEB H2A : A 107 HEB O2A : A 107 HEB CGA :(short bond) USER MOD Set 1.1: A 63 HIS : no HD1:sc= -0.069 X(o=-0.069,f=0) USER MOD Set 1.2: A 101 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 22 ASN : amide:sc= 0.421 K(o=1,f=-1.4) USER MOD Set 2.2: A 25 GLN : amide:sc= 0.595 K(o=1,f=-0.12) USER MOD Single : A 1 ALA N :NH3+ 144:sc= 0.073 (180deg=-0.032) USER MOD Single : A 6 ASN : amide:sc= -2.12 K(o=-2.1,f=-3.7!) USER MOD Single : A 7 MET CE :methyl -177:sc= -2.85! (180deg=-2.88!) USER MOD Single : A 9 THR OG1 : rot 85:sc= 0.412 USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=-0.095) USER MOD Single : A 13 ASN : amide:sc= -0.5 X(o=-0.5,f=-0.89) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 68:sc= 0.444 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl 157:sc= -0.135 (180deg=-0.735) USER MOD Single : A 41 GLN :FLIP amide:sc= -1.86 F(o=-2.5,f=-1.9) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -119:sc= 1.01 (180deg=-0.689) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -157:sc= -1.08 USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.995 K(o=-0.99,f=-6.6!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -0.0285 K(o=-0.028,f=-0.8) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 93 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 77:sc= 0.489 USER MOD Single : A 97 THR OG1 : rot -130:sc= 0 USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=-0.061) USER MOD Single : A 103 GLN : amide:sc= -0.11 K(o=-0.11,f=-0.73) USER MOD Single : A 104 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0211) USER MOD Single : A 105 TYR OH : rot 122:sc= 0.0823 USER MOD Single : A 107 HEB O2D : rot 170:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -16.412 -2.468 -5.827 1.00 0.00 N ATOM 2 CA ALA A 1 -15.239 -1.847 -5.205 1.00 0.00 C ATOM 3 C ALA A 1 -15.714 -0.614 -4.469 1.00 0.00 C ATOM 4 O ALA A 1 -16.518 0.105 -5.056 1.00 0.00 O ATOM 5 CB ALA A 1 -14.615 -1.465 -6.005 1.00 0.00 C ATOM 0 H1 ALA A 1 -16.144 -2.871 -6.747 1.00 0.00 H new ATOM 0 H2 ALA A 1 -16.773 -3.223 -5.210 1.00 0.00 H new ATOM 0 H3 ALA A 1 -17.152 -1.751 -5.966 1.00 0.00 H new ATOM 0 HA ALA A 1 -14.724 -2.558 -4.559 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -13.728 -0.993 -5.581 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -14.314 -2.286 -6.655 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -15.175 -0.731 -6.584 1.00 0.00 H new ATOM 13 N ASP A 2 -15.234 -0.324 -3.263 1.00 0.00 N ATOM 14 CA ASP A 2 -15.615 0.894 -2.585 1.00 0.00 C ATOM 15 C ASP A 2 -14.338 1.431 -1.968 1.00 0.00 C ATOM 16 O ASP A 2 -13.580 0.696 -1.350 1.00 0.00 O ATOM 17 CB ASP A 2 -16.728 0.650 -1.561 1.00 0.00 C ATOM 18 CG ASP A 2 -18.022 0.214 -2.253 1.00 0.00 C ATOM 19 OD1 ASP A 2 -18.134 -0.996 -2.565 1.00 0.00 O ATOM 20 OD2 ASP A 2 -18.856 1.107 -2.516 1.00 0.00 O ATOM 0 H ASP A 2 -14.585 -0.916 -2.745 1.00 0.00 H new ATOM 0 HA ASP A 2 -16.043 1.626 -3.270 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -16.414 -0.116 -0.852 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -16.906 1.560 -0.988 1.00 0.00 H new ATOM 25 N LEU A 3 -14.081 2.708 -2.204 1.00 0.00 N ATOM 26 CA LEU A 3 -12.931 3.472 -1.731 1.00 0.00 C ATOM 27 C LEU A 3 -12.860 3.487 -0.226 1.00 0.00 C ATOM 28 O LEU A 3 -11.761 3.361 0.291 1.00 0.00 O ATOM 29 CB LEU A 3 -13.075 4.873 -2.326 1.00 0.00 C ATOM 30 CG LEU A 3 -12.545 6.083 -1.552 1.00 0.00 C ATOM 31 CD1 LEU A 3 -11.054 6.376 -1.732 1.00 0.00 C ATOM 32 CD2 LEU A 3 -13.262 7.253 -2.188 1.00 0.00 C ATOM 0 H LEU A 3 -14.711 3.279 -2.768 1.00 0.00 H new ATOM 0 HA LEU A 3 -11.993 3.019 -2.052 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -12.582 4.866 -3.298 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -14.136 5.042 -2.508 1.00 0.00 H new ATOM 0 HG LEU A 3 -12.702 5.905 -0.488 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -10.781 7.251 -1.142 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -10.472 5.517 -1.398 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -10.845 6.568 -2.784 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -12.951 8.178 -1.702 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -13.014 7.299 -3.248 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -14.338 7.127 -2.072 1.00 0.00 H new ATOM 44 N GLU A 4 -13.970 3.596 0.497 1.00 0.00 N ATOM 45 CA GLU A 4 -13.859 3.544 1.946 1.00 0.00 C ATOM 46 C GLU A 4 -13.352 2.160 2.359 1.00 0.00 C ATOM 47 O GLU A 4 -12.433 2.051 3.165 1.00 0.00 O ATOM 48 CB GLU A 4 -15.184 3.964 2.586 1.00 0.00 C ATOM 49 CG GLU A 4 -16.269 2.887 2.627 1.00 0.00 C ATOM 50 CD GLU A 4 -17.621 3.508 2.989 1.00 0.00 C ATOM 51 OE1 GLU A 4 -17.761 3.960 4.148 1.00 0.00 O ATOM 52 OE2 GLU A 4 -18.494 3.542 2.094 1.00 0.00 O ATOM 0 H GLU A 4 -14.912 3.715 0.125 1.00 0.00 H new ATOM 0 HA GLU A 4 -13.124 4.258 2.317 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -14.986 4.294 3.606 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -15.573 4.825 2.042 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -16.336 2.392 1.658 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -16.005 2.123 3.358 1.00 0.00 H new ATOM 59 N ASP A 5 -13.842 1.116 1.688 1.00 0.00 N ATOM 60 CA ASP A 5 -13.326 -0.245 1.833 1.00 0.00 C ATOM 61 C ASP A 5 -11.865 -0.309 1.401 1.00 0.00 C ATOM 62 O ASP A 5 -11.077 -1.012 2.020 1.00 0.00 O ATOM 63 CB ASP A 5 -14.128 -1.249 0.983 1.00 0.00 C ATOM 64 CG ASP A 5 -14.912 -2.269 1.805 1.00 0.00 C ATOM 65 OD1 ASP A 5 -14.316 -2.839 2.744 1.00 0.00 O ATOM 66 OD2 ASP A 5 -16.087 -2.507 1.447 1.00 0.00 O ATOM 0 H ASP A 5 -14.613 1.192 1.025 1.00 0.00 H new ATOM 0 HA ASP A 5 -13.422 -0.512 2.886 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -14.822 -0.699 0.347 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -13.442 -1.779 0.322 1.00 0.00 H new ATOM 71 N ASN A 6 -11.448 0.411 0.351 1.00 0.00 N ATOM 72 CA ASN A 6 -10.089 0.297 -0.123 1.00 0.00 C ATOM 73 C ASN A 6 -9.186 0.818 0.943 1.00 0.00 C ATOM 74 O ASN A 6 -8.149 0.221 1.156 1.00 0.00 O ATOM 75 CB ASN A 6 -9.800 1.102 -1.391 1.00 0.00 C ATOM 76 CG ASN A 6 -10.663 0.670 -2.577 1.00 0.00 C ATOM 77 OD1 ASN A 6 -11.026 1.475 -3.421 1.00 0.00 O ATOM 78 ND2 ASN A 6 -10.990 -0.612 -2.689 1.00 0.00 N ATOM 0 H ASN A 6 -12.032 1.065 -0.170 1.00 0.00 H new ATOM 0 HA ASN A 6 -9.927 -0.755 -0.359 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -9.969 2.160 -1.191 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -8.748 0.992 -1.654 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -11.547 -0.929 -3.483 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -10.684 -1.280 -1.981 1.00 0.00 H new ATOM 85 N MET A 7 -9.588 1.920 1.564 1.00 0.00 N ATOM 86 CA MET A 7 -8.844 2.688 2.525 1.00 0.00 C ATOM 87 C MET A 7 -8.677 1.912 3.818 1.00 0.00 C ATOM 88 O MET A 7 -7.555 1.804 4.320 1.00 0.00 O ATOM 89 CB MET A 7 -9.596 4.002 2.738 1.00 0.00 C ATOM 90 CG MET A 7 -9.408 4.944 1.544 1.00 0.00 C ATOM 91 SD MET A 7 -7.699 5.344 1.113 1.00 0.00 S ATOM 92 CE MET A 7 -7.855 5.630 -0.649 1.00 0.00 C ATOM 0 H MET A 7 -10.510 2.320 1.389 1.00 0.00 H new ATOM 0 HA MET A 7 -7.837 2.896 2.163 1.00 0.00 H new ATOM 0 HB2 MET A 7 -10.657 3.798 2.881 1.00 0.00 H new ATOM 0 HB3 MET A 7 -9.239 4.486 3.647 1.00 0.00 H new ATOM 0 HG2 MET A 7 -9.886 4.495 0.673 1.00 0.00 H new ATOM 0 HG3 MET A 7 -9.936 5.874 1.753 1.00 0.00 H new ATOM 0 HE1 MET A 7 -6.872 5.836 -1.073 1.00 0.00 H new ATOM 0 HE2 MET A 7 -8.277 4.745 -1.125 1.00 0.00 H new ATOM 0 HE3 MET A 7 -8.511 6.483 -0.822 1.00 0.00 H new ATOM 102 N GLU A 8 -9.762 1.326 4.335 1.00 0.00 N ATOM 103 CA GLU A 8 -9.618 0.450 5.484 1.00 0.00 C ATOM 104 C GLU A 8 -8.703 -0.702 5.100 1.00 0.00 C ATOM 105 O GLU A 8 -7.823 -1.062 5.873 1.00 0.00 O ATOM 106 CB GLU A 8 -10.938 -0.138 5.998 1.00 0.00 C ATOM 107 CG GLU A 8 -12.056 0.873 6.267 1.00 0.00 C ATOM 108 CD GLU A 8 -12.901 0.430 7.464 1.00 0.00 C ATOM 109 OE1 GLU A 8 -13.565 -0.624 7.351 1.00 0.00 O ATOM 110 OE2 GLU A 8 -12.837 1.132 8.499 1.00 0.00 O ATOM 0 H GLU A 8 -10.714 1.440 3.986 1.00 0.00 H new ATOM 0 HA GLU A 8 -9.211 1.061 6.290 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -11.298 -0.865 5.270 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -10.737 -0.683 6.920 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -11.627 1.856 6.461 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -12.688 0.970 5.384 1.00 0.00 H new ATOM 117 N THR A 9 -8.862 -1.255 3.893 1.00 0.00 N ATOM 118 CA THR A 9 -8.083 -2.390 3.467 1.00 0.00 C ATOM 119 C THR A 9 -6.629 -1.971 3.353 1.00 0.00 C ATOM 120 O THR A 9 -5.774 -2.769 3.737 1.00 0.00 O ATOM 121 CB THR A 9 -8.624 -2.985 2.153 1.00 0.00 C ATOM 122 OG1 THR A 9 -9.855 -3.633 2.366 1.00 0.00 O ATOM 123 CG2 THR A 9 -7.708 -4.064 1.573 1.00 0.00 C ATOM 0 H THR A 9 -9.532 -0.922 3.200 1.00 0.00 H new ATOM 0 HA THR A 9 -8.161 -3.185 4.209 1.00 0.00 H new ATOM 0 HB THR A 9 -8.706 -2.137 1.473 1.00 0.00 H new ATOM 0 HG1 THR A 9 -10.582 -2.978 2.316 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.138 -4.448 0.648 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.727 -3.636 1.367 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.605 -4.878 2.290 1.00 0.00 H new ATOM 131 N LEU A 10 -6.285 -0.761 2.873 1.00 0.00 N ATOM 132 CA LEU A 10 -4.861 -0.504 2.745 1.00 0.00 C ATOM 133 C LEU A 10 -4.258 -0.488 4.141 1.00 0.00 C ATOM 134 O LEU A 10 -3.155 -0.983 4.338 1.00 0.00 O ATOM 135 CB LEU A 10 -4.452 0.804 2.037 1.00 0.00 C ATOM 136 CG LEU A 10 -5.279 1.291 0.847 1.00 0.00 C ATOM 137 CD1 LEU A 10 -4.751 2.637 0.363 1.00 0.00 C ATOM 138 CD2 LEU A 10 -5.285 0.314 -0.329 1.00 0.00 C ATOM 0 H LEU A 10 -6.918 -0.012 2.592 1.00 0.00 H new ATOM 0 HA LEU A 10 -4.488 -1.303 2.104 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.452 1.597 2.785 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.423 0.687 1.697 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.305 1.378 1.205 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -5.345 2.977 -0.485 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.820 3.366 1.170 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.710 2.531 0.057 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -5.890 0.722 -1.138 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.265 0.161 -0.681 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.704 -0.639 -0.008 1.00 0.00 H new ATOM 150 N ASN A 11 -4.990 0.082 5.100 1.00 0.00 N ATOM 151 CA ASN A 11 -4.514 0.257 6.460 1.00 0.00 C ATOM 152 C ASN A 11 -4.397 -1.084 7.185 1.00 0.00 C ATOM 153 O ASN A 11 -3.428 -1.299 7.906 1.00 0.00 O ATOM 154 CB ASN A 11 -5.458 1.216 7.189 1.00 0.00 C ATOM 155 CG ASN A 11 -5.013 1.445 8.621 1.00 0.00 C ATOM 156 OD1 ASN A 11 -3.857 1.756 8.877 1.00 0.00 O ATOM 157 ND2 ASN A 11 -5.931 1.339 9.572 1.00 0.00 N ATOM 0 H ASN A 11 -5.935 0.435 4.947 1.00 0.00 H new ATOM 0 HA ASN A 11 -3.512 0.685 6.444 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -5.492 2.168 6.660 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -6.470 0.810 7.181 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -5.681 1.518 10.544 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -6.887 1.078 9.331 1.00 0.00 H new ATOM 164 N ASP A 12 -5.330 -2.010 6.953 1.00 0.00 N ATOM 165 CA ASP A 12 -5.293 -3.355 7.522 1.00 0.00 C ATOM 166 C ASP A 12 -3.997 -4.021 7.086 1.00 0.00 C ATOM 167 O ASP A 12 -3.234 -4.550 7.894 1.00 0.00 O ATOM 168 CB ASP A 12 -6.495 -4.190 7.027 1.00 0.00 C ATOM 169 CG ASP A 12 -7.515 -4.523 8.116 1.00 0.00 C ATOM 170 OD1 ASP A 12 -7.140 -4.471 9.309 1.00 0.00 O ATOM 171 OD2 ASP A 12 -8.650 -4.872 7.726 1.00 0.00 O ATOM 0 H ASP A 12 -6.141 -1.843 6.357 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.346 -3.292 8.609 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -6.998 -3.645 6.228 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.124 -5.120 6.595 1.00 0.00 H new ATOM 176 N ASN A 13 -3.713 -3.958 5.786 1.00 0.00 N ATOM 177 CA ASN A 13 -2.509 -4.561 5.267 1.00 0.00 C ATOM 178 C ASN A 13 -1.271 -3.837 5.769 1.00 0.00 C ATOM 179 O ASN A 13 -0.285 -4.500 6.059 1.00 0.00 O ATOM 180 CB ASN A 13 -2.537 -4.543 3.747 1.00 0.00 C ATOM 181 CG ASN A 13 -3.542 -5.549 3.222 1.00 0.00 C ATOM 182 OD1 ASN A 13 -3.363 -6.754 3.337 1.00 0.00 O ATOM 183 ND2 ASN A 13 -4.644 -5.063 2.680 1.00 0.00 N ATOM 0 H ASN A 13 -4.299 -3.499 5.088 1.00 0.00 H new ATOM 0 HA ASN A 13 -2.466 -5.592 5.619 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -2.795 -3.544 3.394 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -1.546 -4.773 3.356 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -5.370 -5.696 2.346 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -4.769 -4.054 2.596 1.00 0.00 H new ATOM 190 N LEU A 14 -1.280 -2.505 5.890 1.00 0.00 N ATOM 191 CA LEU A 14 -0.106 -1.752 6.287 1.00 0.00 C ATOM 192 C LEU A 14 0.267 -2.133 7.712 1.00 0.00 C ATOM 193 O LEU A 14 1.440 -2.274 8.047 1.00 0.00 O ATOM 194 CB LEU A 14 -0.457 -0.265 6.153 1.00 0.00 C ATOM 195 CG LEU A 14 0.741 0.663 5.949 1.00 0.00 C ATOM 196 CD1 LEU A 14 1.596 0.211 4.758 1.00 0.00 C ATOM 197 CD2 LEU A 14 0.177 2.058 5.665 1.00 0.00 C ATOM 0 H LEU A 14 -2.103 -1.929 5.714 1.00 0.00 H new ATOM 0 HA LEU A 14 0.759 -1.970 5.660 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.140 -0.142 5.313 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.993 0.049 7.049 1.00 0.00 H new ATOM 0 HG LEU A 14 1.377 0.653 6.834 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.440 0.890 4.638 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.965 -0.799 4.938 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.991 0.220 3.851 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.998 2.758 5.512 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.443 2.024 4.769 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.426 2.386 6.512 1.00 0.00 H new ATOM 209 N LYS A 15 -0.756 -2.379 8.530 1.00 0.00 N ATOM 210 CA LYS A 15 -0.604 -2.836 9.891 1.00 0.00 C ATOM 211 C LYS A 15 0.059 -4.204 9.898 1.00 0.00 C ATOM 212 O LYS A 15 1.060 -4.393 10.583 1.00 0.00 O ATOM 213 CB LYS A 15 -1.991 -2.864 10.538 1.00 0.00 C ATOM 214 CG LYS A 15 -1.896 -3.072 12.049 1.00 0.00 C ATOM 215 CD LYS A 15 -2.631 -1.934 12.755 1.00 0.00 C ATOM 216 CE LYS A 15 -2.477 -2.106 14.263 1.00 0.00 C ATOM 217 NZ LYS A 15 -3.051 -0.958 14.995 1.00 0.00 N ATOM 0 H LYS A 15 -1.729 -2.260 8.249 1.00 0.00 H new ATOM 0 HA LYS A 15 0.036 -2.166 10.465 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -2.511 -1.929 10.330 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -2.585 -3.664 10.095 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.334 -4.031 12.325 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -0.852 -3.096 12.361 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -2.225 -0.972 12.442 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.686 -1.939 12.481 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.971 -3.025 14.579 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -1.421 -2.209 14.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.931 -1.104 16.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.563 -0.085 14.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -4.064 -0.876 14.773 1.00 0.00 H new ATOM 231 N VAL A 16 -0.476 -5.152 9.126 1.00 0.00 N ATOM 232 CA VAL A 16 0.090 -6.491 9.032 1.00 0.00 C ATOM 233 C VAL A 16 1.551 -6.409 8.600 1.00 0.00 C ATOM 234 O VAL A 16 2.379 -7.100 9.176 1.00 0.00 O ATOM 235 CB VAL A 16 -0.765 -7.348 8.079 1.00 0.00 C ATOM 236 CG1 VAL A 16 -0.111 -8.665 7.636 1.00 0.00 C ATOM 237 CG2 VAL A 16 -2.078 -7.706 8.783 1.00 0.00 C ATOM 0 H VAL A 16 -1.308 -5.011 8.553 1.00 0.00 H new ATOM 0 HA VAL A 16 0.074 -6.977 10.008 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.905 -6.742 7.184 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.786 -9.200 6.968 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.822 -8.451 7.114 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.096 -9.281 8.511 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.693 -8.313 8.119 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.862 -8.268 9.692 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -2.614 -6.792 9.040 1.00 0.00 H new ATOM 247 N ILE A 17 1.889 -5.563 7.628 1.00 0.00 N ATOM 248 CA ILE A 17 3.233 -5.462 7.074 1.00 0.00 C ATOM 249 C ILE A 17 4.203 -5.020 8.161 1.00 0.00 C ATOM 250 O ILE A 17 5.251 -5.640 8.341 1.00 0.00 O ATOM 251 CB ILE A 17 3.220 -4.495 5.876 1.00 0.00 C ATOM 252 CG1 ILE A 17 2.482 -5.169 4.710 1.00 0.00 C ATOM 253 CG2 ILE A 17 4.642 -4.115 5.440 1.00 0.00 C ATOM 254 CD1 ILE A 17 1.886 -4.159 3.729 1.00 0.00 C ATOM 0 H ILE A 17 1.224 -4.920 7.198 1.00 0.00 H new ATOM 0 HA ILE A 17 3.569 -6.434 6.712 1.00 0.00 H new ATOM 0 HB ILE A 17 2.712 -3.578 6.173 1.00 0.00 H new ATOM 0 HG12 ILE A 17 3.172 -5.823 4.178 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.686 -5.800 5.105 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.592 -3.432 4.592 1.00 0.00 H new ATOM 0 HG22 ILE A 17 5.159 -3.629 6.268 1.00 0.00 H new ATOM 0 HG23 ILE A 17 5.186 -5.014 5.150 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.376 -4.690 2.925 1.00 0.00 H new ATOM 0 HD12 ILE A 17 1.173 -3.521 4.252 1.00 0.00 H new ATOM 0 HD13 ILE A 17 2.683 -3.545 3.310 1.00 0.00 H new ATOM 266 N GLU A 18 3.842 -3.979 8.913 1.00 0.00 N ATOM 267 CA GLU A 18 4.686 -3.460 9.982 1.00 0.00 C ATOM 268 C GLU A 18 4.923 -4.547 11.032 1.00 0.00 C ATOM 269 O GLU A 18 5.999 -4.655 11.614 1.00 0.00 O ATOM 270 CB GLU A 18 3.995 -2.233 10.602 1.00 0.00 C ATOM 271 CG GLU A 18 5.005 -1.325 11.312 1.00 0.00 C ATOM 272 CD GLU A 18 4.366 -0.061 11.910 1.00 0.00 C ATOM 273 OE1 GLU A 18 3.592 0.623 11.196 1.00 0.00 O ATOM 274 OE2 GLU A 18 4.682 0.238 13.083 1.00 0.00 O ATOM 0 H GLU A 18 2.962 -3.477 8.797 1.00 0.00 H new ATOM 0 HA GLU A 18 5.657 -3.161 9.586 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.481 -1.670 9.823 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.235 -2.561 11.312 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.494 -1.888 12.107 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.781 -1.032 10.605 1.00 0.00 H new ATOM 281 N LYS A 19 3.905 -5.378 11.252 1.00 0.00 N ATOM 282 CA LYS A 19 3.909 -6.432 12.255 1.00 0.00 C ATOM 283 C LYS A 19 4.375 -7.769 11.703 1.00 0.00 C ATOM 284 O LYS A 19 4.390 -8.751 12.441 1.00 0.00 O ATOM 285 CB LYS A 19 2.468 -6.593 12.751 1.00 0.00 C ATOM 286 CG LYS A 19 2.372 -6.613 14.272 1.00 0.00 C ATOM 287 CD LYS A 19 1.202 -5.729 14.698 1.00 0.00 C ATOM 288 CE LYS A 19 0.800 -6.151 16.105 1.00 0.00 C ATOM 289 NZ LYS A 19 0.070 -5.081 16.808 1.00 0.00 N ATOM 0 H LYS A 19 3.035 -5.332 10.722 1.00 0.00 H new ATOM 0 HA LYS A 19 4.601 -6.149 13.048 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.860 -5.776 12.363 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.051 -7.518 12.352 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.225 -7.633 14.628 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.300 -6.251 14.714 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.489 -4.678 14.680 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.365 -5.843 14.009 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.176 -7.043 16.053 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.691 -6.418 16.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.187 -5.405 17.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.674 -4.238 16.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.793 -4.844 16.279 1.00 0.00 H new ATOM 303 N ALA A 20 4.662 -7.839 10.407 1.00 0.00 N ATOM 304 CA ALA A 20 4.852 -9.112 9.763 1.00 0.00 C ATOM 305 C ALA A 20 6.112 -9.797 10.252 1.00 0.00 C ATOM 306 O ALA A 20 7.007 -9.185 10.832 1.00 0.00 O ATOM 307 CB ALA A 20 4.927 -8.919 8.258 1.00 0.00 C ATOM 0 H ALA A 20 4.765 -7.030 9.795 1.00 0.00 H new ATOM 0 HA ALA A 20 4.002 -9.747 10.013 1.00 0.00 H new ATOM 0 HB1 ALA A 20 5.071 -9.885 7.774 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.000 -8.469 7.902 1.00 0.00 H new ATOM 0 HB3 ALA A 20 5.764 -8.264 8.016 1.00 0.00 H new ATOM 313 N ASP A 21 6.167 -11.079 9.919 1.00 0.00 N ATOM 314 CA ASP A 21 7.147 -12.013 10.450 1.00 0.00 C ATOM 315 C ASP A 21 7.756 -12.821 9.301 1.00 0.00 C ATOM 316 O ASP A 21 8.963 -13.038 9.242 1.00 0.00 O ATOM 317 CB ASP A 21 6.428 -12.908 11.480 1.00 0.00 C ATOM 318 CG ASP A 21 7.240 -13.160 12.750 1.00 0.00 C ATOM 319 OD1 ASP A 21 8.473 -12.962 12.712 1.00 0.00 O ATOM 320 OD2 ASP A 21 6.600 -13.550 13.752 1.00 0.00 O ATOM 0 H ASP A 21 5.518 -11.506 9.259 1.00 0.00 H new ATOM 0 HA ASP A 21 7.969 -11.497 10.946 1.00 0.00 H new ATOM 0 HB2 ASP A 21 5.480 -12.444 11.752 1.00 0.00 H new ATOM 0 HB3 ASP A 21 6.192 -13.865 11.014 1.00 0.00 H new ATOM 325 N ASN A 22 6.933 -13.216 8.321 1.00 0.00 N ATOM 326 CA ASN A 22 7.386 -13.987 7.173 1.00 0.00 C ATOM 327 C ASN A 22 7.433 -13.103 5.939 1.00 0.00 C ATOM 328 O ASN A 22 6.600 -12.211 5.772 1.00 0.00 O ATOM 329 CB ASN A 22 6.396 -15.106 6.814 1.00 0.00 C ATOM 330 CG ASN A 22 5.994 -16.028 7.953 1.00 0.00 C ATOM 331 OD1 ASN A 22 5.516 -15.575 8.984 1.00 0.00 O ATOM 332 ND2 ASN A 22 6.081 -17.334 7.750 1.00 0.00 N ATOM 0 H ASN A 22 5.935 -13.006 8.309 1.00 0.00 H new ATOM 0 HA ASN A 22 8.361 -14.392 7.444 1.00 0.00 H new ATOM 0 HB2 ASN A 22 5.494 -14.649 6.406 1.00 0.00 H new ATOM 0 HB3 ASN A 22 6.834 -15.711 6.020 1.00 0.00 H new ATOM 0 HD21 ASN A 22 5.746 -17.984 8.461 1.00 0.00 H new ATOM 0 HD22 ASN A 22 6.483 -17.690 6.883 1.00 0.00 H new ATOM 339 N ALA A 23 8.277 -13.492 4.984 1.00 0.00 N ATOM 340 CA ALA A 23 8.281 -12.910 3.652 1.00 0.00 C ATOM 341 C ALA A 23 6.916 -13.092 3.011 1.00 0.00 C ATOM 342 O ALA A 23 6.337 -12.121 2.549 1.00 0.00 O ATOM 343 CB ALA A 23 9.370 -13.557 2.792 1.00 0.00 C ATOM 0 H ALA A 23 8.977 -14.222 5.117 1.00 0.00 H new ATOM 0 HA ALA A 23 8.496 -11.844 3.728 1.00 0.00 H new ATOM 0 HB1 ALA A 23 9.361 -13.111 1.797 1.00 0.00 H new ATOM 0 HB2 ALA A 23 10.344 -13.394 3.254 1.00 0.00 H new ATOM 0 HB3 ALA A 23 9.182 -14.628 2.711 1.00 0.00 H new ATOM 349 N ALA A 24 6.379 -14.314 3.004 1.00 0.00 N ATOM 350 CA ALA A 24 5.095 -14.569 2.367 1.00 0.00 C ATOM 351 C ALA A 24 3.972 -13.715 2.960 1.00 0.00 C ATOM 352 O ALA A 24 3.088 -13.302 2.217 1.00 0.00 O ATOM 353 CB ALA A 24 4.753 -16.060 2.454 1.00 0.00 C ATOM 0 H ALA A 24 6.813 -15.133 3.430 1.00 0.00 H new ATOM 0 HA ALA A 24 5.184 -14.284 1.319 1.00 0.00 H new ATOM 0 HB1 ALA A 24 3.791 -16.241 1.975 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.525 -16.640 1.949 1.00 0.00 H new ATOM 0 HB3 ALA A 24 4.700 -16.361 3.500 1.00 0.00 H new ATOM 359 N GLN A 25 3.989 -13.428 4.266 1.00 0.00 N ATOM 360 CA GLN A 25 2.933 -12.622 4.863 1.00 0.00 C ATOM 361 C GLN A 25 3.051 -11.166 4.431 1.00 0.00 C ATOM 362 O GLN A 25 2.046 -10.567 4.058 1.00 0.00 O ATOM 363 CB GLN A 25 2.933 -12.739 6.391 1.00 0.00 C ATOM 364 CG GLN A 25 2.342 -14.082 6.839 1.00 0.00 C ATOM 365 CD GLN A 25 1.960 -14.041 8.316 1.00 0.00 C ATOM 366 OE1 GLN A 25 0.817 -13.763 8.654 1.00 0.00 O ATOM 367 NE2 GLN A 25 2.891 -14.291 9.227 1.00 0.00 N ATOM 0 H GLN A 25 4.712 -13.738 4.916 1.00 0.00 H new ATOM 0 HA GLN A 25 1.980 -13.009 4.502 1.00 0.00 H new ATOM 0 HB2 GLN A 25 3.952 -12.642 6.767 1.00 0.00 H new ATOM 0 HB3 GLN A 25 2.355 -11.921 6.822 1.00 0.00 H new ATOM 0 HG2 GLN A 25 1.463 -14.316 6.238 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.067 -14.878 6.668 1.00 0.00 H new ATOM 0 HE21 GLN A 25 3.841 -14.522 8.935 1.00 0.00 H new ATOM 0 HE22 GLN A 25 2.657 -14.252 10.219 1.00 0.00 H new ATOM 376 N VAL A 26 4.259 -10.591 4.435 1.00 0.00 N ATOM 377 CA VAL A 26 4.422 -9.226 3.940 1.00 0.00 C ATOM 378 C VAL A 26 3.952 -9.159 2.504 1.00 0.00 C ATOM 379 O VAL A 26 3.219 -8.262 2.106 1.00 0.00 O ATOM 380 CB VAL A 26 5.890 -8.781 4.007 1.00 0.00 C ATOM 381 CG1 VAL A 26 6.054 -7.379 3.425 1.00 0.00 C ATOM 382 CG2 VAL A 26 6.303 -8.705 5.459 1.00 0.00 C ATOM 0 H VAL A 26 5.114 -11.037 4.766 1.00 0.00 H new ATOM 0 HA VAL A 26 3.830 -8.561 4.569 1.00 0.00 H new ATOM 0 HB VAL A 26 6.494 -9.493 3.445 1.00 0.00 H new ATOM 0 HG11 VAL A 26 7.101 -7.082 3.482 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.732 -7.377 2.384 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.446 -6.676 3.994 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.344 -8.390 5.525 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.672 -7.984 5.979 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.191 -9.686 5.921 1.00 0.00 H new ATOM 392 N LYS A 27 4.397 -10.131 1.722 1.00 0.00 N ATOM 393 CA LYS A 27 4.186 -10.145 0.303 1.00 0.00 C ATOM 394 C LYS A 27 2.692 -10.170 0.010 1.00 0.00 C ATOM 395 O LYS A 27 2.213 -9.377 -0.792 1.00 0.00 O ATOM 396 CB LYS A 27 4.931 -11.351 -0.271 1.00 0.00 C ATOM 397 CG LYS A 27 5.256 -11.029 -1.716 1.00 0.00 C ATOM 398 CD LYS A 27 5.945 -12.181 -2.453 1.00 0.00 C ATOM 399 CE LYS A 27 5.131 -13.467 -2.278 1.00 0.00 C ATOM 400 NZ LYS A 27 5.366 -14.432 -3.372 1.00 0.00 N ATOM 0 H LYS A 27 4.919 -10.936 2.069 1.00 0.00 H new ATOM 0 HA LYS A 27 4.578 -9.246 -0.173 1.00 0.00 H new ATOM 0 HB2 LYS A 27 5.842 -11.545 0.294 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.317 -12.250 -0.205 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.335 -10.771 -2.239 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.899 -10.149 -1.749 1.00 0.00 H new ATOM 0 HD2 LYS A 27 6.042 -11.942 -3.512 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.954 -12.322 -2.065 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.389 -13.931 -1.326 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.070 -13.220 -2.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.794 -15.286 -3.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.096 -14.001 -4.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.373 -14.690 -3.397 1.00 0.00 H new ATOM 414 N ASP A 28 1.945 -11.048 0.675 1.00 0.00 N ATOM 415 CA ASP A 28 0.519 -11.173 0.420 1.00 0.00 C ATOM 416 C ASP A 28 -0.216 -9.922 0.873 1.00 0.00 C ATOM 417 O ASP A 28 -1.117 -9.441 0.195 1.00 0.00 O ATOM 418 CB ASP A 28 -0.046 -12.395 1.144 1.00 0.00 C ATOM 419 CG ASP A 28 -1.387 -12.796 0.533 1.00 0.00 C ATOM 420 OD1 ASP A 28 -1.471 -12.759 -0.716 1.00 0.00 O ATOM 421 OD2 ASP A 28 -2.298 -13.147 1.314 1.00 0.00 O ATOM 0 H ASP A 28 2.305 -11.679 1.391 1.00 0.00 H new ATOM 0 HA ASP A 28 0.374 -11.297 -0.653 1.00 0.00 H new ATOM 0 HB2 ASP A 28 0.657 -13.225 1.074 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -0.173 -12.173 2.204 1.00 0.00 H new ATOM 426 N ALA A 29 0.217 -9.342 1.991 1.00 0.00 N ATOM 427 CA ALA A 29 -0.359 -8.106 2.493 1.00 0.00 C ATOM 428 C ALA A 29 -0.150 -6.965 1.494 1.00 0.00 C ATOM 429 O ALA A 29 -1.043 -6.145 1.289 1.00 0.00 O ATOM 430 CB ALA A 29 0.277 -7.766 3.840 1.00 0.00 C ATOM 0 H ALA A 29 0.971 -9.716 2.567 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.433 -8.239 2.625 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -0.152 -6.839 4.221 1.00 0.00 H new ATOM 0 HB2 ALA A 29 0.084 -8.573 4.547 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.353 -7.643 3.714 1.00 0.00 H new ATOM 436 N LEU A 30 1.010 -6.917 0.830 1.00 0.00 N ATOM 437 CA LEU A 30 1.302 -5.933 -0.185 1.00 0.00 C ATOM 438 C LEU A 30 0.412 -6.198 -1.378 1.00 0.00 C ATOM 439 O LEU A 30 -0.076 -5.254 -1.989 1.00 0.00 O ATOM 440 CB LEU A 30 2.776 -5.993 -0.590 1.00 0.00 C ATOM 441 CG LEU A 30 3.716 -5.415 0.472 1.00 0.00 C ATOM 442 CD1 LEU A 30 5.146 -5.518 -0.033 1.00 0.00 C ATOM 443 CD2 LEU A 30 3.450 -3.936 0.729 1.00 0.00 C ATOM 0 H LEU A 30 1.773 -7.574 0.994 1.00 0.00 H new ATOM 0 HA LEU A 30 1.110 -4.934 0.206 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.051 -7.030 -0.784 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.913 -5.447 -1.523 1.00 0.00 H new ATOM 0 HG LEU A 30 3.552 -5.978 1.391 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.826 -5.109 0.714 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.393 -6.564 -0.215 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.246 -4.955 -0.961 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.140 -3.569 1.489 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.595 -3.375 -0.194 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.425 -3.806 1.076 1.00 0.00 H new ATOM 455 N THR A 31 0.141 -7.464 -1.694 1.00 0.00 N ATOM 456 CA THR A 31 -0.707 -7.759 -2.824 1.00 0.00 C ATOM 457 C THR A 31 -2.108 -7.252 -2.545 1.00 0.00 C ATOM 458 O THR A 31 -2.751 -6.682 -3.416 1.00 0.00 O ATOM 459 CB THR A 31 -0.781 -9.260 -3.071 1.00 0.00 C ATOM 460 OG1 THR A 31 0.511 -9.794 -3.157 1.00 0.00 O ATOM 461 CG2 THR A 31 -1.517 -9.627 -4.361 1.00 0.00 C ATOM 0 H THR A 31 0.492 -8.278 -1.190 1.00 0.00 H new ATOM 0 HA THR A 31 -0.286 -7.271 -3.703 1.00 0.00 H new ATOM 0 HB THR A 31 -1.337 -9.673 -2.229 1.00 0.00 H new ATOM 0 HG1 THR A 31 0.943 -9.747 -2.279 1.00 0.00 H new ATOM 0 HG21 THR A 31 -1.533 -10.711 -4.475 1.00 0.00 H new ATOM 0 HG22 THR A 31 -2.539 -9.252 -4.316 1.00 0.00 H new ATOM 0 HG23 THR A 31 -1.004 -9.180 -5.212 1.00 0.00 H new ATOM 469 N LYS A 32 -2.608 -7.471 -1.331 1.00 0.00 N ATOM 470 CA LYS A 32 -3.934 -7.028 -0.964 1.00 0.00 C ATOM 471 C LYS A 32 -4.047 -5.513 -0.998 1.00 0.00 C ATOM 472 O LYS A 32 -4.993 -5.014 -1.602 1.00 0.00 O ATOM 473 CB LYS A 32 -4.331 -7.594 0.396 1.00 0.00 C ATOM 474 CG LYS A 32 -5.197 -8.851 0.256 1.00 0.00 C ATOM 475 CD LYS A 32 -6.145 -8.937 1.455 1.00 0.00 C ATOM 476 CE LYS A 32 -7.202 -10.017 1.220 1.00 0.00 C ATOM 477 NZ LYS A 32 -8.404 -9.775 2.047 1.00 0.00 N ATOM 0 H LYS A 32 -2.105 -7.956 -0.588 1.00 0.00 H new ATOM 0 HA LYS A 32 -4.635 -7.413 -1.704 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -3.434 -7.832 0.967 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.876 -6.837 0.960 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -5.766 -8.815 -0.673 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -4.567 -9.739 0.209 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -5.579 -9.163 2.359 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -6.629 -7.973 1.614 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -7.480 -10.035 0.166 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -6.785 -10.996 1.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -9.105 -10.522 1.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -8.140 -9.781 3.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -8.813 -8.851 1.802 1.00 0.00 H new ATOM 491 N MET A 33 -3.112 -4.757 -0.409 1.00 0.00 N ATOM 492 CA MET A 33 -3.194 -3.313 -0.609 1.00 0.00 C ATOM 493 C MET A 33 -2.984 -2.956 -2.073 1.00 0.00 C ATOM 494 O MET A 33 -3.433 -1.893 -2.482 1.00 0.00 O ATOM 495 CB MET A 33 -2.257 -2.443 0.246 1.00 0.00 C ATOM 496 CG MET A 33 -0.965 -3.052 0.781 1.00 0.00 C ATOM 497 SD MET A 33 0.484 -1.980 0.578 1.00 0.00 S ATOM 498 CE MET A 33 -0.121 -0.402 1.231 1.00 0.00 C ATOM 0 H MET A 33 -2.342 -5.093 0.170 1.00 0.00 H new ATOM 0 HA MET A 33 -4.203 -3.076 -0.271 1.00 0.00 H new ATOM 0 HB2 MET A 33 -1.988 -1.569 -0.347 1.00 0.00 H new ATOM 0 HB3 MET A 33 -2.830 -2.084 1.101 1.00 0.00 H new ATOM 0 HG2 MET A 33 -1.092 -3.280 1.839 1.00 0.00 H new ATOM 0 HG3 MET A 33 -0.781 -3.998 0.271 1.00 0.00 H new ATOM 0 HE1 MET A 33 0.724 0.209 1.548 1.00 0.00 H new ATOM 0 HE2 MET A 33 -0.677 0.124 0.455 1.00 0.00 H new ATOM 0 HE3 MET A 33 -0.775 -0.588 2.083 1.00 0.00 H new ATOM 508 N ARG A 34 -2.346 -3.797 -2.889 1.00 0.00 N ATOM 509 CA ARG A 34 -2.199 -3.443 -4.291 1.00 0.00 C ATOM 510 C ARG A 34 -3.553 -3.540 -4.976 1.00 0.00 C ATOM 511 O ARG A 34 -3.918 -2.654 -5.739 1.00 0.00 O ATOM 512 CB ARG A 34 -1.199 -4.383 -4.952 1.00 0.00 C ATOM 513 CG ARG A 34 -0.683 -3.851 -6.288 1.00 0.00 C ATOM 514 CD ARG A 34 0.024 -5.027 -6.960 1.00 0.00 C ATOM 515 NE ARG A 34 0.267 -4.791 -8.386 1.00 0.00 N ATOM 516 CZ ARG A 34 0.305 -5.760 -9.310 1.00 0.00 C ATOM 517 NH1 ARG A 34 0.167 -7.038 -8.948 1.00 0.00 N ATOM 518 NH2 ARG A 34 0.473 -5.454 -10.595 1.00 0.00 N ATOM 0 H ARG A 34 -1.940 -4.691 -2.614 1.00 0.00 H new ATOM 0 HA ARG A 34 -1.829 -2.422 -4.380 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -0.356 -4.542 -4.279 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -1.669 -5.354 -5.109 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -1.503 -3.483 -6.905 1.00 0.00 H new ATOM 0 HG3 ARG A 34 0.002 -3.017 -6.138 1.00 0.00 H new ATOM 0 HD2 ARG A 34 0.974 -5.212 -6.458 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -0.580 -5.927 -6.841 1.00 0.00 H new ATOM 0 HE ARG A 34 0.416 -3.830 -8.694 1.00 0.00 H new ATOM 0 HH11 ARG A 34 0.032 -7.278 -7.966 1.00 0.00 H new ATOM 0 HH12 ARG A 34 0.196 -7.774 -9.654 1.00 0.00 H new ATOM 0 HH21 ARG A 34 0.573 -4.479 -10.878 1.00 0.00 H new ATOM 0 HH22 ARG A 34 0.501 -6.194 -11.296 1.00 0.00 H new ATOM 532 N ALA A 35 -4.307 -4.605 -4.701 1.00 0.00 N ATOM 533 CA ALA A 35 -5.627 -4.793 -5.273 1.00 0.00 C ATOM 534 C ALA A 35 -6.561 -3.677 -4.810 1.00 0.00 C ATOM 535 O ALA A 35 -7.267 -3.087 -5.620 1.00 0.00 O ATOM 536 CB ALA A 35 -6.167 -6.171 -4.882 1.00 0.00 C ATOM 0 H ALA A 35 -4.014 -5.356 -4.076 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.565 -4.748 -6.360 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -7.159 -6.309 -5.313 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.497 -6.944 -5.258 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.230 -6.242 -3.796 1.00 0.00 H new ATOM 542 N ALA A 36 -6.559 -3.349 -3.518 1.00 0.00 N ATOM 543 CA ALA A 36 -7.400 -2.276 -3.019 1.00 0.00 C ATOM 544 C ALA A 36 -6.984 -0.915 -3.583 1.00 0.00 C ATOM 545 O ALA A 36 -7.857 -0.122 -3.903 1.00 0.00 O ATOM 546 CB ALA A 36 -7.398 -2.293 -1.488 1.00 0.00 C ATOM 0 H ALA A 36 -5.988 -3.809 -2.809 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.421 -2.442 -3.364 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -8.030 -1.487 -1.114 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.783 -3.249 -1.134 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.380 -2.155 -1.124 1.00 0.00 H new ATOM 552 N ALA A 37 -5.691 -0.611 -3.717 1.00 0.00 N ATOM 553 CA ALA A 37 -5.220 0.627 -4.337 1.00 0.00 C ATOM 554 C ALA A 37 -5.585 0.697 -5.825 1.00 0.00 C ATOM 555 O ALA A 37 -5.859 1.772 -6.360 1.00 0.00 O ATOM 556 CB ALA A 37 -3.707 0.763 -4.140 1.00 0.00 C ATOM 0 H ALA A 37 -4.939 -1.221 -3.396 1.00 0.00 H new ATOM 0 HA ALA A 37 -5.721 1.462 -3.847 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.361 1.687 -4.604 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.479 0.785 -3.074 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.202 -0.086 -4.602 1.00 0.00 H new ATOM 562 N LEU A 38 -5.599 -0.451 -6.508 1.00 0.00 N ATOM 563 CA LEU A 38 -6.039 -0.532 -7.894 1.00 0.00 C ATOM 564 C LEU A 38 -7.512 -0.167 -7.958 1.00 0.00 C ATOM 565 O LEU A 38 -7.923 0.600 -8.819 1.00 0.00 O ATOM 566 CB LEU A 38 -5.874 -1.954 -8.457 1.00 0.00 C ATOM 567 CG LEU A 38 -4.513 -2.250 -9.093 1.00 0.00 C ATOM 568 CD1 LEU A 38 -4.503 -3.731 -9.492 1.00 0.00 C ATOM 569 CD2 LEU A 38 -4.266 -1.385 -10.337 1.00 0.00 C ATOM 0 H LEU A 38 -5.306 -1.345 -6.113 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.430 0.152 -8.485 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.044 -2.668 -7.651 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.650 -2.124 -9.203 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.724 -2.022 -8.377 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.545 -3.978 -9.950 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.651 -4.348 -8.605 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.306 -3.921 -10.205 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.290 -1.625 -10.759 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.040 -1.584 -11.078 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.292 -0.331 -10.059 1.00 0.00 H new ATOM 581 N ASP A 39 -8.325 -0.708 -7.056 1.00 0.00 N ATOM 582 CA ASP A 39 -9.749 -0.414 -7.093 1.00 0.00 C ATOM 583 C ASP A 39 -9.981 1.044 -6.689 1.00 0.00 C ATOM 584 O ASP A 39 -10.842 1.720 -7.254 1.00 0.00 O ATOM 585 CB ASP A 39 -10.523 -1.402 -6.212 1.00 0.00 C ATOM 586 CG ASP A 39 -11.612 -2.097 -7.029 1.00 0.00 C ATOM 587 OD1 ASP A 39 -11.252 -2.829 -7.976 1.00 0.00 O ATOM 588 OD2 ASP A 39 -12.801 -1.878 -6.716 1.00 0.00 O ATOM 0 H ASP A 39 -8.030 -1.337 -6.309 1.00 0.00 H new ATOM 0 HA ASP A 39 -10.128 -0.539 -8.107 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -9.840 -2.144 -5.798 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -10.971 -0.875 -5.369 1.00 0.00 H new ATOM 593 N ALA A 40 -9.126 1.567 -5.801 1.00 0.00 N ATOM 594 CA ALA A 40 -9.147 2.948 -5.347 1.00 0.00 C ATOM 595 C ALA A 40 -9.016 3.874 -6.572 1.00 0.00 C ATOM 596 O ALA A 40 -9.599 4.955 -6.611 1.00 0.00 O ATOM 597 CB ALA A 40 -8.016 3.213 -4.351 1.00 0.00 C ATOM 0 H ALA A 40 -8.382 1.018 -5.371 1.00 0.00 H new ATOM 0 HA ALA A 40 -10.089 3.145 -4.835 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.053 4.253 -4.026 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.131 2.559 -3.487 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.056 3.016 -4.829 1.00 0.00 H new ATOM 603 N GLN A 41 -8.266 3.428 -7.595 1.00 0.00 N ATOM 604 CA GLN A 41 -7.964 4.140 -8.826 1.00 0.00 C ATOM 605 C GLN A 41 -9.219 4.505 -9.619 1.00 0.00 C ATOM 606 O GLN A 41 -9.209 5.495 -10.348 1.00 0.00 O ATOM 607 CB GLN A 41 -7.088 3.220 -9.695 1.00 0.00 C ATOM 608 CG GLN A 41 -6.323 3.974 -10.782 1.00 0.00 C ATOM 609 CD GLN A 41 -4.832 4.185 -10.540 1.00 0.00 C ATOM 610 OE1 GLN A 41 -4.352 4.083 -9.308 1.00 0.00 O flip ATOM 611 NE2 GLN A 41 -4.106 4.510 -11.476 1.00 0.00 N flip ATOM 0 H GLN A 41 -7.834 2.504 -7.572 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.460 5.071 -8.567 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.378 2.695 -9.056 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.718 2.462 -10.161 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -6.444 3.434 -11.721 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -6.789 4.950 -10.913 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -4.491 4.584 -12.418 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -3.119 4.706 -11.311 1.00 0.00 H new ATOM 620 N LYS A 42 -10.282 3.702 -9.514 1.00 0.00 N ATOM 621 CA LYS A 42 -11.515 3.936 -10.259 1.00 0.00 C ATOM 622 C LYS A 42 -12.714 4.098 -9.339 1.00 0.00 C ATOM 623 O LYS A 42 -13.843 4.182 -9.816 1.00 0.00 O ATOM 624 CB LYS A 42 -11.747 2.843 -11.304 1.00 0.00 C ATOM 625 CG LYS A 42 -11.852 1.430 -10.716 1.00 0.00 C ATOM 626 CD LYS A 42 -12.685 0.590 -11.687 1.00 0.00 C ATOM 627 CE LYS A 42 -12.474 -0.910 -11.480 1.00 0.00 C ATOM 628 NZ LYS A 42 -13.306 -1.684 -12.426 1.00 0.00 N ATOM 0 H LYS A 42 -10.309 2.878 -8.914 1.00 0.00 H new ATOM 0 HA LYS A 42 -11.397 4.880 -10.791 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -12.663 3.067 -11.852 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -10.930 2.865 -12.026 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -10.861 0.995 -10.584 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -12.321 1.458 -9.733 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -13.741 0.828 -11.557 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -12.422 0.854 -12.711 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -11.422 -1.159 -11.623 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -12.729 -1.181 -10.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -13.151 -2.701 -12.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -14.309 -1.459 -12.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -13.043 -1.437 -13.402 1.00 0.00 H new ATOM 642 N ALA A 43 -12.489 4.122 -8.030 1.00 0.00 N ATOM 643 CA ALA A 43 -13.529 4.517 -7.113 1.00 0.00 C ATOM 644 C ALA A 43 -13.731 6.030 -7.263 1.00 0.00 C ATOM 645 O ALA A 43 -12.946 6.707 -7.930 1.00 0.00 O ATOM 646 CB ALA A 43 -13.076 4.148 -5.705 1.00 0.00 C ATOM 0 H ALA A 43 -11.602 3.874 -7.592 1.00 0.00 H new ATOM 0 HA ALA A 43 -14.475 4.015 -7.315 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -13.845 4.436 -4.988 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -12.910 3.072 -5.646 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -12.149 4.672 -5.472 1.00 0.00 H new ATOM 652 N THR A 44 -14.739 6.584 -6.594 1.00 0.00 N ATOM 653 CA THR A 44 -15.031 8.008 -6.651 1.00 0.00 C ATOM 654 C THR A 44 -14.957 8.560 -5.235 1.00 0.00 C ATOM 655 O THR A 44 -15.872 8.334 -4.448 1.00 0.00 O ATOM 656 CB THR A 44 -16.400 8.224 -7.309 1.00 0.00 C ATOM 657 OG1 THR A 44 -16.243 8.096 -8.703 1.00 0.00 O ATOM 658 CG2 THR A 44 -17.006 9.605 -7.050 1.00 0.00 C ATOM 0 H THR A 44 -15.375 6.055 -5.997 1.00 0.00 H new ATOM 0 HA THR A 44 -14.305 8.545 -7.262 1.00 0.00 H new ATOM 0 HB THR A 44 -17.072 7.483 -6.876 1.00 0.00 H new ATOM 0 HG1 THR A 44 -17.108 8.229 -9.143 1.00 0.00 H new ATOM 0 HG21 THR A 44 -17.972 9.678 -7.549 1.00 0.00 H new ATOM 0 HG22 THR A 44 -17.139 9.749 -5.978 1.00 0.00 H new ATOM 0 HG23 THR A 44 -16.338 10.374 -7.439 1.00 0.00 H new ATOM 666 N PRO A 45 -13.866 9.243 -4.872 1.00 0.00 N ATOM 667 CA PRO A 45 -13.795 9.904 -3.589 1.00 0.00 C ATOM 668 C PRO A 45 -14.654 11.147 -3.588 1.00 0.00 C ATOM 669 O PRO A 45 -14.685 11.870 -4.579 1.00 0.00 O ATOM 670 CB PRO A 45 -12.316 10.230 -3.369 1.00 0.00 C ATOM 671 CG PRO A 45 -11.750 10.314 -4.780 1.00 0.00 C ATOM 672 CD PRO A 45 -12.636 9.401 -5.626 1.00 0.00 C ATOM 0 HA PRO A 45 -14.173 9.276 -2.782 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -12.189 11.169 -2.830 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -11.818 9.457 -2.784 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -11.772 11.338 -5.152 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -10.710 9.988 -4.807 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -12.830 9.840 -6.605 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -12.155 8.438 -5.798 1.00 0.00 H new ATOM 680 N PRO A 46 -15.278 11.460 -2.447 1.00 0.00 N ATOM 681 CA PRO A 46 -16.090 12.656 -2.338 1.00 0.00 C ATOM 682 C PRO A 46 -15.184 13.893 -2.407 1.00 0.00 C ATOM 683 O PRO A 46 -15.584 14.975 -2.826 1.00 0.00 O ATOM 684 CB PRO A 46 -16.789 12.525 -0.984 1.00 0.00 C ATOM 685 CG PRO A 46 -15.821 11.690 -0.144 1.00 0.00 C ATOM 686 CD PRO A 46 -15.105 10.798 -1.160 1.00 0.00 C ATOM 0 HA PRO A 46 -16.818 12.766 -3.142 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -16.969 13.501 -0.532 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -17.758 12.035 -1.081 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -15.116 12.323 0.395 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -16.352 11.097 0.601 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -14.049 10.690 -0.913 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -15.533 9.796 -1.173 1.00 0.00 H new ATOM 694 N LYS A 47 -13.922 13.721 -2.010 1.00 0.00 N ATOM 695 CA LYS A 47 -12.937 14.783 -1.925 1.00 0.00 C ATOM 696 C LYS A 47 -12.478 15.248 -3.307 1.00 0.00 C ATOM 697 O LYS A 47 -12.120 16.409 -3.482 1.00 0.00 O ATOM 698 CB LYS A 47 -11.778 14.214 -1.105 1.00 0.00 C ATOM 699 CG LYS A 47 -10.666 15.201 -0.760 1.00 0.00 C ATOM 700 CD LYS A 47 -11.071 16.634 -0.415 1.00 0.00 C ATOM 701 CE LYS A 47 -9.758 17.400 -0.538 1.00 0.00 C ATOM 702 NZ LYS A 47 -9.869 18.816 -0.156 1.00 0.00 N ATOM 0 H LYS A 47 -13.554 12.811 -1.733 1.00 0.00 H new ATOM 0 HA LYS A 47 -13.358 15.670 -1.452 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -12.179 13.807 -0.177 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -11.342 13.381 -1.656 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -10.109 14.797 0.085 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -9.979 15.241 -1.605 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -11.827 17.016 -1.101 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -11.487 16.705 0.590 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -9.006 16.920 0.089 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -9.404 17.336 -1.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.943 19.278 -0.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -10.564 19.288 -0.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -10.179 18.885 0.834 1.00 0.00 H new ATOM 716 N LEU A 48 -12.497 14.346 -4.289 1.00 0.00 N ATOM 717 CA LEU A 48 -12.222 14.635 -5.688 1.00 0.00 C ATOM 718 C LEU A 48 -13.365 13.979 -6.440 1.00 0.00 C ATOM 719 O LEU A 48 -13.173 13.092 -7.267 1.00 0.00 O ATOM 720 CB LEU A 48 -10.847 14.097 -6.116 1.00 0.00 C ATOM 721 CG LEU A 48 -9.697 14.849 -5.442 1.00 0.00 C ATOM 722 CD1 LEU A 48 -8.450 13.982 -5.386 1.00 0.00 C ATOM 723 CD2 LEU A 48 -9.333 16.129 -6.196 1.00 0.00 C ATOM 0 H LEU A 48 -12.712 13.363 -4.122 1.00 0.00 H new ATOM 0 HA LEU A 48 -12.170 15.704 -5.893 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -10.780 13.037 -5.869 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -10.748 14.179 -7.198 1.00 0.00 H new ATOM 0 HG LEU A 48 -10.041 15.101 -4.439 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.644 14.535 -4.903 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.661 13.077 -4.816 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.149 13.712 -6.398 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.513 16.632 -5.684 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -9.028 15.878 -7.212 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -10.199 16.790 -6.230 1.00 0.00 H new ATOM 735 N GLU A 49 -14.584 14.372 -6.099 1.00 0.00 N ATOM 736 CA GLU A 49 -15.733 13.796 -6.759 1.00 0.00 C ATOM 737 C GLU A 49 -15.877 14.483 -8.113 1.00 0.00 C ATOM 738 O GLU A 49 -15.702 13.881 -9.172 1.00 0.00 O ATOM 739 CB GLU A 49 -16.972 14.021 -5.887 1.00 0.00 C ATOM 740 CG GLU A 49 -18.117 13.104 -6.322 1.00 0.00 C ATOM 741 CD GLU A 49 -19.487 13.608 -5.864 1.00 0.00 C ATOM 742 OE1 GLU A 49 -19.525 14.435 -4.926 1.00 0.00 O ATOM 743 OE2 GLU A 49 -20.484 13.144 -6.459 1.00 0.00 O ATOM 0 H GLU A 49 -14.795 15.070 -5.386 1.00 0.00 H new ATOM 0 HA GLU A 49 -15.617 12.723 -6.908 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -16.726 13.832 -4.842 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -17.287 15.062 -5.957 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -18.112 13.015 -7.408 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -17.949 12.105 -5.919 1.00 0.00 H new ATOM 750 N ASP A 50 -16.090 15.794 -8.048 1.00 0.00 N ATOM 751 CA ASP A 50 -16.546 16.642 -9.136 1.00 0.00 C ATOM 752 C ASP A 50 -15.421 17.307 -9.932 1.00 0.00 C ATOM 753 O ASP A 50 -15.638 18.334 -10.569 1.00 0.00 O ATOM 754 CB ASP A 50 -17.486 17.682 -8.514 1.00 0.00 C ATOM 755 CG ASP A 50 -18.326 18.419 -9.556 1.00 0.00 C ATOM 756 OD1 ASP A 50 -18.743 17.749 -10.528 1.00 0.00 O ATOM 757 OD2 ASP A 50 -18.593 19.620 -9.329 1.00 0.00 O ATOM 0 H ASP A 50 -15.940 16.318 -7.186 1.00 0.00 H new ATOM 0 HA ASP A 50 -17.055 16.025 -9.876 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -18.148 17.187 -7.804 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -16.898 18.406 -7.950 1.00 0.00 H new ATOM 762 N LYS A 51 -14.186 16.787 -9.904 1.00 0.00 N ATOM 763 CA LYS A 51 -13.204 17.403 -10.801 1.00 0.00 C ATOM 764 C LYS A 51 -13.580 17.140 -12.247 1.00 0.00 C ATOM 765 O LYS A 51 -14.108 16.075 -12.571 1.00 0.00 O ATOM 766 CB LYS A 51 -11.721 17.049 -10.601 1.00 0.00 C ATOM 767 CG LYS A 51 -11.326 15.991 -9.574 1.00 0.00 C ATOM 768 CD LYS A 51 -10.934 14.651 -10.219 1.00 0.00 C ATOM 769 CE LYS A 51 -11.860 13.563 -9.704 1.00 0.00 C ATOM 770 NZ LYS A 51 -13.190 13.550 -10.353 1.00 0.00 N ATOM 0 H LYS A 51 -13.863 16.011 -9.326 1.00 0.00 H new ATOM 0 HA LYS A 51 -13.264 18.457 -10.531 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -11.330 16.727 -11.566 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -11.200 17.969 -10.337 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.490 16.362 -8.981 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -12.157 15.829 -8.888 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -11.003 14.721 -11.305 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.899 14.408 -9.981 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.384 12.594 -9.854 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.992 13.691 -8.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.927 13.713 -9.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -13.233 14.301 -11.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -13.346 12.627 -10.807 1.00 0.00 H new ATOM 784 N SER A 52 -13.177 18.080 -13.097 1.00 0.00 N ATOM 785 CA SER A 52 -13.330 18.021 -14.532 1.00 0.00 C ATOM 786 C SER A 52 -12.724 16.740 -15.112 1.00 0.00 C ATOM 787 O SER A 52 -11.749 16.205 -14.581 1.00 0.00 O ATOM 788 CB SER A 52 -12.636 19.253 -15.104 1.00 0.00 C ATOM 789 OG SER A 52 -13.392 20.402 -14.799 1.00 0.00 O ATOM 0 H SER A 52 -12.717 18.935 -12.784 1.00 0.00 H new ATOM 0 HA SER A 52 -14.387 18.008 -14.797 1.00 0.00 H new ATOM 0 HB2 SER A 52 -11.632 19.344 -14.688 1.00 0.00 H new ATOM 0 HB3 SER A 52 -12.526 19.153 -16.184 1.00 0.00 H new ATOM 0 HG SER A 52 -12.946 21.194 -15.165 1.00 0.00 H new ATOM 795 N PRO A 53 -13.270 16.282 -16.245 1.00 0.00 N ATOM 796 CA PRO A 53 -12.881 15.037 -16.891 1.00 0.00 C ATOM 797 C PRO A 53 -11.503 15.120 -17.546 1.00 0.00 C ATOM 798 O PRO A 53 -10.854 14.097 -17.738 1.00 0.00 O ATOM 799 CB PRO A 53 -13.962 14.792 -17.952 1.00 0.00 C ATOM 800 CG PRO A 53 -14.507 16.187 -18.263 1.00 0.00 C ATOM 801 CD PRO A 53 -14.393 16.903 -16.923 1.00 0.00 C ATOM 0 HA PRO A 53 -12.806 14.229 -16.163 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -13.546 14.319 -18.842 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -14.745 14.133 -17.577 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -13.924 16.685 -19.038 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -15.538 16.149 -18.614 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -14.226 17.971 -17.062 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -15.309 16.797 -16.342 1.00 0.00 H new ATOM 809 N ASP A 54 -11.051 16.328 -17.883 1.00 0.00 N ATOM 810 CA ASP A 54 -9.872 16.550 -18.713 1.00 0.00 C ATOM 811 C ASP A 54 -8.877 17.410 -17.936 1.00 0.00 C ATOM 812 O ASP A 54 -8.284 18.340 -18.475 1.00 0.00 O ATOM 813 CB ASP A 54 -10.331 17.214 -20.021 1.00 0.00 C ATOM 814 CG ASP A 54 -9.347 17.003 -21.172 1.00 0.00 C ATOM 815 OD1 ASP A 54 -8.413 16.185 -21.005 1.00 0.00 O ATOM 816 OD2 ASP A 54 -9.588 17.617 -22.234 1.00 0.00 O ATOM 0 H ASP A 54 -11.502 17.192 -17.581 1.00 0.00 H new ATOM 0 HA ASP A 54 -9.368 15.617 -18.964 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -11.305 16.814 -20.304 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -10.463 18.283 -19.853 1.00 0.00 H new ATOM 821 N SER A 55 -8.750 17.147 -16.630 1.00 0.00 N ATOM 822 CA SER A 55 -8.066 18.061 -15.724 1.00 0.00 C ATOM 823 C SER A 55 -6.843 17.491 -15.010 1.00 0.00 C ATOM 824 O SER A 55 -6.719 16.280 -14.811 1.00 0.00 O ATOM 825 CB SER A 55 -9.076 18.557 -14.687 1.00 0.00 C ATOM 826 OG SER A 55 -9.503 19.849 -15.057 1.00 0.00 O ATOM 0 H SER A 55 -9.114 16.306 -16.182 1.00 0.00 H new ATOM 0 HA SER A 55 -7.676 18.866 -16.347 1.00 0.00 H new ATOM 0 HB2 SER A 55 -9.927 17.878 -14.633 1.00 0.00 H new ATOM 0 HB3 SER A 55 -8.622 18.578 -13.696 1.00 0.00 H new ATOM 0 HG SER A 55 -9.840 20.321 -14.267 1.00 0.00 H new ATOM 832 N PRO A 56 -6.006 18.403 -14.485 1.00 0.00 N ATOM 833 CA PRO A 56 -4.787 18.124 -13.735 1.00 0.00 C ATOM 834 C PRO A 56 -5.072 17.645 -12.305 1.00 0.00 C ATOM 835 O PRO A 56 -4.205 17.738 -11.446 1.00 0.00 O ATOM 836 CB PRO A 56 -4.016 19.450 -13.752 1.00 0.00 C ATOM 837 CG PRO A 56 -5.130 20.488 -13.708 1.00 0.00 C ATOM 838 CD PRO A 56 -6.199 19.846 -14.584 1.00 0.00 C ATOM 0 HA PRO A 56 -4.218 17.308 -14.181 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -3.346 19.539 -12.897 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -3.404 19.551 -14.648 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -5.485 20.662 -12.692 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -4.805 21.451 -14.101 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -7.197 20.128 -14.247 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -6.105 20.180 -15.617 1.00 0.00 H new ATOM 846 N GLU A 57 -6.275 17.138 -12.028 1.00 0.00 N ATOM 847 CA GLU A 57 -6.633 16.593 -10.728 1.00 0.00 C ATOM 848 C GLU A 57 -6.996 15.119 -10.849 1.00 0.00 C ATOM 849 O GLU A 57 -6.664 14.339 -9.966 1.00 0.00 O ATOM 850 CB GLU A 57 -7.813 17.364 -10.134 1.00 0.00 C ATOM 851 CG GLU A 57 -7.379 18.729 -9.595 1.00 0.00 C ATOM 852 CD GLU A 57 -8.471 19.350 -8.723 1.00 0.00 C ATOM 853 OE1 GLU A 57 -9.642 19.299 -9.156 1.00 0.00 O ATOM 854 OE2 GLU A 57 -8.125 19.853 -7.632 1.00 0.00 O ATOM 0 H GLU A 57 -7.032 17.096 -12.711 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.771 16.694 -10.068 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -8.580 17.500 -10.896 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -8.262 16.781 -9.330 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.464 18.619 -9.013 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.150 19.396 -10.426 1.00 0.00 H new ATOM 861 N MET A 58 -7.653 14.695 -11.933 1.00 0.00 N ATOM 862 CA MET A 58 -8.029 13.295 -12.073 1.00 0.00 C ATOM 863 C MET A 58 -6.787 12.427 -12.273 1.00 0.00 C ATOM 864 O MET A 58 -6.673 11.339 -11.712 1.00 0.00 O ATOM 865 CB MET A 58 -8.989 13.154 -13.256 1.00 0.00 C ATOM 866 CG MET A 58 -9.690 11.795 -13.215 1.00 0.00 C ATOM 867 SD MET A 58 -9.461 10.771 -14.687 1.00 0.00 S ATOM 868 CE MET A 58 -10.749 9.551 -14.333 1.00 0.00 C ATOM 0 H MET A 58 -7.929 15.294 -12.711 1.00 0.00 H new ATOM 0 HA MET A 58 -8.527 12.956 -11.165 1.00 0.00 H new ATOM 0 HB2 MET A 58 -9.730 13.953 -13.229 1.00 0.00 H new ATOM 0 HB3 MET A 58 -8.441 13.259 -14.192 1.00 0.00 H new ATOM 0 HG2 MET A 58 -9.329 11.243 -12.347 1.00 0.00 H new ATOM 0 HG3 MET A 58 -10.758 11.958 -13.067 1.00 0.00 H new ATOM 0 HE1 MET A 58 -10.779 8.811 -15.133 1.00 0.00 H new ATOM 0 HE2 MET A 58 -10.530 9.055 -13.388 1.00 0.00 H new ATOM 0 HE3 MET A 58 -11.715 10.051 -14.265 1.00 0.00 H new ATOM 878 N LYS A 59 -5.833 12.928 -13.060 1.00 0.00 N ATOM 879 CA LYS A 59 -4.559 12.255 -13.267 1.00 0.00 C ATOM 880 C LYS A 59 -3.724 12.275 -11.990 1.00 0.00 C ATOM 881 O LYS A 59 -3.115 11.272 -11.629 1.00 0.00 O ATOM 882 CB LYS A 59 -3.826 12.924 -14.438 1.00 0.00 C ATOM 883 CG LYS A 59 -4.165 12.158 -15.718 1.00 0.00 C ATOM 884 CD LYS A 59 -3.682 12.889 -16.971 1.00 0.00 C ATOM 885 CE LYS A 59 -3.673 11.880 -18.123 1.00 0.00 C ATOM 886 NZ LYS A 59 -3.383 12.517 -19.424 1.00 0.00 N ATOM 0 H LYS A 59 -5.925 13.808 -13.568 1.00 0.00 H new ATOM 0 HA LYS A 59 -4.731 11.208 -13.515 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.128 13.967 -14.529 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -2.750 12.918 -14.266 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.711 11.168 -15.679 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.243 12.012 -15.777 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.339 13.728 -17.202 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.684 13.299 -16.814 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.927 11.111 -17.923 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.641 11.381 -18.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.388 11.795 -20.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.109 13.233 -19.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.448 12.972 -19.387 1.00 0.00 H new ATOM 900 N ASP A 60 -3.708 13.406 -11.292 1.00 0.00 N ATOM 901 CA ASP A 60 -2.845 13.564 -10.126 1.00 0.00 C ATOM 902 C ASP A 60 -3.413 12.819 -8.917 1.00 0.00 C ATOM 903 O ASP A 60 -2.686 12.455 -7.996 1.00 0.00 O ATOM 904 CB ASP A 60 -2.685 15.061 -9.821 1.00 0.00 C ATOM 905 CG ASP A 60 -1.219 15.459 -9.660 1.00 0.00 C ATOM 906 OD1 ASP A 60 -0.394 14.915 -10.426 1.00 0.00 O ATOM 907 OD2 ASP A 60 -0.945 16.303 -8.781 1.00 0.00 O ATOM 0 H ASP A 60 -4.279 14.222 -11.511 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.868 13.132 -10.342 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.133 15.645 -10.625 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -3.229 15.305 -8.909 1.00 0.00 H new ATOM 912 N PHE A 61 -4.725 12.575 -8.923 1.00 0.00 N ATOM 913 CA PHE A 61 -5.445 11.804 -7.923 1.00 0.00 C ATOM 914 C PHE A 61 -4.908 10.396 -7.892 1.00 0.00 C ATOM 915 O PHE A 61 -4.300 9.969 -6.913 1.00 0.00 O ATOM 916 CB PHE A 61 -6.946 11.819 -8.254 1.00 0.00 C ATOM 917 CG PHE A 61 -7.755 10.704 -7.623 1.00 0.00 C ATOM 918 CD1 PHE A 61 -7.653 10.453 -6.244 1.00 0.00 C ATOM 919 CD2 PHE A 61 -8.557 9.873 -8.430 1.00 0.00 C ATOM 920 CE1 PHE A 61 -8.347 9.374 -5.674 1.00 0.00 C ATOM 921 CE2 PHE A 61 -9.267 8.805 -7.856 1.00 0.00 C ATOM 922 CZ PHE A 61 -9.166 8.560 -6.478 1.00 0.00 C ATOM 0 H PHE A 61 -5.336 12.927 -9.660 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.305 12.245 -6.936 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -7.363 12.774 -7.935 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -7.064 11.765 -9.336 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -7.041 11.090 -5.623 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -8.626 10.057 -9.492 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -8.252 9.169 -4.618 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -9.889 8.174 -8.474 1.00 0.00 H new ATOM 0 HZ PHE A 61 -9.718 7.745 -6.034 1.00 0.00 H new ATOM 932 N ARG A 62 -5.124 9.674 -8.985 1.00 0.00 N ATOM 933 CA ARG A 62 -4.651 8.310 -9.071 1.00 0.00 C ATOM 934 C ARG A 62 -3.154 8.227 -8.844 1.00 0.00 C ATOM 935 O ARG A 62 -2.711 7.188 -8.366 1.00 0.00 O ATOM 936 CB ARG A 62 -5.034 7.694 -10.411 1.00 0.00 C ATOM 937 CG ARG A 62 -4.559 8.524 -11.606 1.00 0.00 C ATOM 938 CD ARG A 62 -5.197 7.998 -12.883 1.00 0.00 C ATOM 939 NE ARG A 62 -4.449 6.873 -13.453 1.00 0.00 N ATOM 940 CZ ARG A 62 -4.662 6.423 -14.692 1.00 0.00 C ATOM 941 NH1 ARG A 62 -5.737 6.844 -15.364 1.00 0.00 N ATOM 942 NH2 ARG A 62 -3.804 5.576 -15.257 1.00 0.00 N ATOM 0 H ARG A 62 -5.618 10.011 -9.811 1.00 0.00 H new ATOM 0 HA ARG A 62 -5.134 7.738 -8.279 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.610 6.692 -10.479 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -6.117 7.585 -10.459 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.823 9.572 -11.461 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.473 8.477 -11.685 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -6.219 7.683 -12.673 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -5.255 8.802 -13.616 1.00 0.00 H new ATOM 0 HE ARG A 62 -3.739 6.417 -12.881 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -6.384 7.502 -14.930 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -5.910 6.507 -16.311 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -2.979 5.267 -14.743 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -3.972 5.236 -16.204 1.00 0.00 H new ATOM 956 N HIS A 63 -2.386 9.292 -9.112 1.00 0.00 N ATOM 957 CA HIS A 63 -0.962 9.246 -8.877 1.00 0.00 C ATOM 958 C HIS A 63 -0.678 8.899 -7.419 1.00 0.00 C ATOM 959 O HIS A 63 0.216 8.111 -7.167 1.00 0.00 O ATOM 960 CB HIS A 63 -0.296 10.547 -9.317 1.00 0.00 C ATOM 961 CG HIS A 63 1.191 10.404 -9.483 1.00 0.00 C ATOM 962 ND1 HIS A 63 2.135 11.145 -8.819 1.00 0.00 N ATOM 963 CD2 HIS A 63 1.844 9.552 -10.334 1.00 0.00 C ATOM 964 CE1 HIS A 63 3.341 10.762 -9.278 1.00 0.00 C ATOM 965 NE2 HIS A 63 3.215 9.790 -10.195 1.00 0.00 N ATOM 0 H HIS A 63 -2.732 10.176 -9.485 1.00 0.00 H new ATOM 0 HA HIS A 63 -0.524 8.455 -9.485 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -0.734 10.875 -10.260 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -0.503 11.324 -8.582 1.00 0.00 H new ATOM 0 HD2 HIS A 63 1.384 8.829 -10.992 1.00 0.00 H new ATOM 0 HE1 HIS A 63 4.282 11.180 -8.953 1.00 0.00 H new ATOM 0 HE2 HIS A 63 3.970 9.318 -10.692 1.00 0.00 H new ATOM 973 N GLY A 64 -1.487 9.348 -6.458 1.00 0.00 N ATOM 974 CA GLY A 64 -1.362 8.915 -5.074 1.00 0.00 C ATOM 975 C GLY A 64 -1.318 7.395 -4.928 1.00 0.00 C ATOM 976 O GLY A 64 -0.452 6.865 -4.234 1.00 0.00 O ATOM 0 H GLY A 64 -2.240 10.017 -6.620 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -0.456 9.342 -4.645 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.201 9.306 -4.499 1.00 0.00 H new ATOM 980 N PHE A 65 -2.225 6.667 -5.578 1.00 0.00 N ATOM 981 CA PHE A 65 -2.159 5.209 -5.556 1.00 0.00 C ATOM 982 C PHE A 65 -1.101 4.660 -6.493 1.00 0.00 C ATOM 983 O PHE A 65 -0.720 3.506 -6.355 1.00 0.00 O ATOM 984 CB PHE A 65 -3.483 4.608 -6.027 1.00 0.00 C ATOM 985 CG PHE A 65 -4.655 5.130 -5.260 1.00 0.00 C ATOM 986 CD1 PHE A 65 -4.549 5.228 -3.870 1.00 0.00 C ATOM 987 CD2 PHE A 65 -5.777 5.639 -5.930 1.00 0.00 C ATOM 988 CE1 PHE A 65 -5.518 5.929 -3.160 1.00 0.00 C ATOM 989 CE2 PHE A 65 -6.794 6.268 -5.196 1.00 0.00 C ATOM 990 CZ PHE A 65 -6.655 6.440 -3.808 1.00 0.00 C ATOM 0 H PHE A 65 -3.000 7.055 -6.116 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.925 4.942 -4.525 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -3.620 4.825 -7.086 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -3.442 3.523 -5.927 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.723 4.764 -3.352 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -5.858 5.547 -7.003 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -5.395 6.082 -2.098 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -7.683 6.620 -5.697 1.00 0.00 H new ATOM 0 HZ PHE A 65 -7.415 6.960 -3.245 1.00 0.00 H new ATOM 1000 N ASP A 66 -0.674 5.444 -7.474 1.00 0.00 N ATOM 1001 CA ASP A 66 0.180 4.967 -8.561 1.00 0.00 C ATOM 1002 C ASP A 66 1.596 4.820 -8.017 1.00 0.00 C ATOM 1003 O ASP A 66 2.222 3.774 -8.150 1.00 0.00 O ATOM 1004 CB ASP A 66 0.116 5.942 -9.744 1.00 0.00 C ATOM 1005 CG ASP A 66 0.487 5.303 -11.080 1.00 0.00 C ATOM 1006 OD1 ASP A 66 1.381 4.432 -11.082 1.00 0.00 O ATOM 1007 OD2 ASP A 66 -0.146 5.699 -12.086 1.00 0.00 O ATOM 0 H ASP A 66 -0.910 6.434 -7.541 1.00 0.00 H new ATOM 0 HA ASP A 66 -0.159 3.999 -8.929 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -0.892 6.351 -9.813 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.787 6.779 -9.552 1.00 0.00 H new ATOM 1012 N ILE A 67 2.042 5.827 -7.258 1.00 0.00 N ATOM 1013 CA ILE A 67 3.264 5.786 -6.472 1.00 0.00 C ATOM 1014 C ILE A 67 3.261 4.522 -5.631 1.00 0.00 C ATOM 1015 O ILE A 67 4.264 3.821 -5.545 1.00 0.00 O ATOM 1016 CB ILE A 67 3.352 7.025 -5.553 1.00 0.00 C ATOM 1017 CG1 ILE A 67 3.386 8.300 -6.414 1.00 0.00 C ATOM 1018 CG2 ILE A 67 4.615 6.944 -4.684 1.00 0.00 C ATOM 1019 CD1 ILE A 67 4.019 9.529 -5.758 1.00 0.00 C ATOM 0 H ILE A 67 1.544 6.714 -7.176 1.00 0.00 H new ATOM 0 HA ILE A 67 4.126 5.789 -7.139 1.00 0.00 H new ATOM 0 HB ILE A 67 2.479 7.054 -4.901 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.930 8.081 -7.333 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.364 8.550 -6.700 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.670 7.821 -4.039 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.577 6.044 -4.070 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.496 6.909 -5.325 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.990 10.368 -6.453 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.465 9.786 -4.855 1.00 0.00 H new ATOM 0 HD13 ILE A 67 5.054 9.310 -5.498 1.00 0.00 H new ATOM 1031 N LEU A 68 2.131 4.245 -4.987 1.00 0.00 N ATOM 1032 CA LEU A 68 2.022 3.139 -4.072 1.00 0.00 C ATOM 1033 C LEU A 68 2.153 1.844 -4.852 1.00 0.00 C ATOM 1034 O LEU A 68 2.898 0.975 -4.448 1.00 0.00 O ATOM 1035 CB LEU A 68 0.697 3.211 -3.320 1.00 0.00 C ATOM 1036 CG LEU A 68 0.924 3.802 -1.946 1.00 0.00 C ATOM 1037 CD1 LEU A 68 1.669 5.103 -2.053 1.00 0.00 C ATOM 1038 CD2 LEU A 68 -0.436 4.083 -1.357 1.00 0.00 C ATOM 0 H LEU A 68 1.273 4.786 -5.092 1.00 0.00 H new ATOM 0 HA LEU A 68 2.820 3.182 -3.331 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -0.015 3.821 -3.876 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.263 2.215 -3.231 1.00 0.00 H new ATOM 0 HG LEU A 68 1.504 3.113 -1.332 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.825 5.516 -1.056 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.634 4.931 -2.530 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.089 5.806 -2.651 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.320 4.512 -0.362 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.971 4.786 -1.995 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.002 3.154 -1.288 1.00 0.00 H new ATOM 1050 N VAL A 69 1.466 1.719 -5.981 1.00 0.00 N ATOM 1051 CA VAL A 69 1.476 0.550 -6.846 1.00 0.00 C ATOM 1052 C VAL A 69 2.895 0.275 -7.355 1.00 0.00 C ATOM 1053 O VAL A 69 3.308 -0.882 -7.406 1.00 0.00 O ATOM 1054 CB VAL A 69 0.429 0.810 -7.951 1.00 0.00 C ATOM 1055 CG1 VAL A 69 0.683 0.097 -9.281 1.00 0.00 C ATOM 1056 CG2 VAL A 69 -0.981 0.431 -7.459 1.00 0.00 C ATOM 0 H VAL A 69 0.862 2.462 -6.332 1.00 0.00 H new ATOM 0 HA VAL A 69 1.198 -0.365 -6.323 1.00 0.00 H new ATOM 0 HB VAL A 69 0.515 1.878 -8.152 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.110 0.348 -9.986 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.643 0.415 -9.687 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.697 -0.981 -9.119 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.706 0.621 -8.251 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.002 -0.626 -7.194 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.234 1.030 -6.584 1.00 0.00 H new ATOM 1066 N GLY A 70 3.676 1.311 -7.662 1.00 0.00 N ATOM 1067 CA GLY A 70 5.037 1.143 -8.143 1.00 0.00 C ATOM 1068 C GLY A 70 5.958 0.709 -7.008 1.00 0.00 C ATOM 1069 O GLY A 70 6.733 -0.234 -7.154 1.00 0.00 O ATOM 0 H GLY A 70 3.380 2.284 -7.583 1.00 0.00 H new ATOM 0 HA2 GLY A 70 5.058 0.399 -8.940 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.395 2.079 -8.571 1.00 0.00 H new ATOM 1073 N GLN A 71 5.845 1.356 -5.846 1.00 0.00 N ATOM 1074 CA GLN A 71 6.625 0.977 -4.679 1.00 0.00 C ATOM 1075 C GLN A 71 6.245 -0.430 -4.225 1.00 0.00 C ATOM 1076 O GLN A 71 7.091 -1.140 -3.695 1.00 0.00 O ATOM 1077 CB GLN A 71 6.375 1.950 -3.520 1.00 0.00 C ATOM 1078 CG GLN A 71 6.966 3.348 -3.736 1.00 0.00 C ATOM 1079 CD GLN A 71 6.586 4.275 -2.581 1.00 0.00 C ATOM 1080 OE1 GLN A 71 6.130 3.841 -1.535 1.00 0.00 O ATOM 1081 NE2 GLN A 71 6.737 5.580 -2.738 1.00 0.00 N ATOM 0 H GLN A 71 5.218 2.146 -5.694 1.00 0.00 H new ATOM 0 HA GLN A 71 7.678 1.007 -4.957 1.00 0.00 H new ATOM 0 HB2 GLN A 71 5.300 2.042 -3.363 1.00 0.00 H new ATOM 0 HB3 GLN A 71 6.795 1.527 -2.608 1.00 0.00 H new ATOM 0 HG2 GLN A 71 8.051 3.282 -3.815 1.00 0.00 H new ATOM 0 HG3 GLN A 71 6.602 3.762 -4.677 1.00 0.00 H new ATOM 0 HE21 GLN A 71 7.118 5.948 -3.610 1.00 0.00 H new ATOM 0 HE22 GLN A 71 6.473 6.218 -1.987 1.00 0.00 H new ATOM 1090 N ILE A 72 4.987 -0.842 -4.407 1.00 0.00 N ATOM 1091 CA ILE A 72 4.569 -2.206 -4.113 1.00 0.00 C ATOM 1092 C ILE A 72 5.295 -3.174 -5.035 1.00 0.00 C ATOM 1093 O ILE A 72 5.611 -4.277 -4.606 1.00 0.00 O ATOM 1094 CB ILE A 72 3.037 -2.399 -4.198 1.00 0.00 C ATOM 1095 CG1 ILE A 72 2.344 -1.740 -3.003 1.00 0.00 C ATOM 1096 CG2 ILE A 72 2.707 -3.887 -4.125 1.00 0.00 C ATOM 1097 CD1 ILE A 72 0.823 -1.607 -3.095 1.00 0.00 C ATOM 0 H ILE A 72 4.240 -0.243 -4.759 1.00 0.00 H new ATOM 0 HA ILE A 72 4.840 -2.416 -3.078 1.00 0.00 H new ATOM 0 HB ILE A 72 2.697 -1.955 -5.133 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.584 -2.314 -2.108 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.768 -0.745 -2.867 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.627 -4.024 -4.185 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.185 -4.407 -4.955 1.00 0.00 H new ATOM 0 HG23 ILE A 72 3.073 -4.295 -3.183 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.445 -1.126 -2.193 1.00 0.00 H new ATOM 0 HD12 ILE A 72 0.562 -1.003 -3.964 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.377 -2.596 -3.194 1.00 0.00 H new ATOM 1109 N ASP A 73 5.530 -2.809 -6.295 1.00 0.00 N ATOM 1110 CA ASP A 73 6.148 -3.725 -7.245 1.00 0.00 C ATOM 1111 C ASP A 73 7.580 -4.031 -6.798 1.00 0.00 C ATOM 1112 O ASP A 73 7.995 -5.188 -6.708 1.00 0.00 O ATOM 1113 CB ASP A 73 6.092 -3.122 -8.653 1.00 0.00 C ATOM 1114 CG ASP A 73 6.058 -4.226 -9.706 1.00 0.00 C ATOM 1115 OD1 ASP A 73 7.144 -4.738 -10.052 1.00 0.00 O ATOM 1116 OD2 ASP A 73 4.930 -4.560 -10.139 1.00 0.00 O ATOM 0 H ASP A 73 5.302 -1.891 -6.677 1.00 0.00 H new ATOM 0 HA ASP A 73 5.603 -4.669 -7.274 1.00 0.00 H new ATOM 0 HB2 ASP A 73 5.208 -2.491 -8.750 1.00 0.00 H new ATOM 0 HB3 ASP A 73 6.959 -2.482 -8.816 1.00 0.00 H new ATOM 1121 N ASP A 74 8.308 -2.987 -6.396 1.00 0.00 N ATOM 1122 CA ASP A 74 9.641 -3.153 -5.829 1.00 0.00 C ATOM 1123 C ASP A 74 9.556 -3.959 -4.532 1.00 0.00 C ATOM 1124 O ASP A 74 10.255 -4.946 -4.360 1.00 0.00 O ATOM 1125 CB ASP A 74 10.309 -1.786 -5.590 1.00 0.00 C ATOM 1126 CG ASP A 74 11.412 -1.484 -6.609 1.00 0.00 C ATOM 1127 OD1 ASP A 74 11.324 -2.003 -7.743 1.00 0.00 O ATOM 1128 OD2 ASP A 74 12.340 -0.736 -6.233 1.00 0.00 O ATOM 0 H ASP A 74 7.993 -2.018 -6.454 1.00 0.00 H new ATOM 0 HA ASP A 74 10.260 -3.701 -6.539 1.00 0.00 H new ATOM 0 HB2 ASP A 74 9.552 -1.003 -5.636 1.00 0.00 H new ATOM 0 HB3 ASP A 74 10.731 -1.763 -4.585 1.00 0.00 H new ATOM 1133 N ALA A 75 8.686 -3.580 -3.603 1.00 0.00 N ATOM 1134 CA ALA A 75 8.560 -4.234 -2.308 1.00 0.00 C ATOM 1135 C ALA A 75 8.164 -5.713 -2.425 1.00 0.00 C ATOM 1136 O ALA A 75 8.562 -6.513 -1.581 1.00 0.00 O ATOM 1137 CB ALA A 75 7.590 -3.437 -1.437 1.00 0.00 C ATOM 0 H ALA A 75 8.041 -2.800 -3.730 1.00 0.00 H new ATOM 0 HA ALA A 75 9.539 -4.243 -1.828 1.00 0.00 H new ATOM 0 HB1 ALA A 75 7.491 -3.921 -0.466 1.00 0.00 H new ATOM 0 HB2 ALA A 75 7.971 -2.425 -1.301 1.00 0.00 H new ATOM 0 HB3 ALA A 75 6.615 -3.395 -1.923 1.00 0.00 H new ATOM 1143 N LEU A 76 7.443 -6.109 -3.479 1.00 0.00 N ATOM 1144 CA LEU A 76 7.200 -7.495 -3.840 1.00 0.00 C ATOM 1145 C LEU A 76 8.529 -8.166 -4.136 1.00 0.00 C ATOM 1146 O LEU A 76 8.819 -9.227 -3.591 1.00 0.00 O ATOM 1147 CB LEU A 76 6.337 -7.525 -5.107 1.00 0.00 C ATOM 1148 CG LEU A 76 4.866 -7.871 -4.901 1.00 0.00 C ATOM 1149 CD1 LEU A 76 4.626 -9.384 -4.968 1.00 0.00 C ATOM 1150 CD2 LEU A 76 4.172 -7.246 -3.686 1.00 0.00 C ATOM 0 H LEU A 76 7.002 -5.448 -4.119 1.00 0.00 H new ATOM 0 HA LEU A 76 6.694 -8.014 -3.026 1.00 0.00 H new ATOM 0 HB2 LEU A 76 6.397 -6.549 -5.588 1.00 0.00 H new ATOM 0 HB3 LEU A 76 6.767 -8.248 -5.800 1.00 0.00 H new ATOM 0 HG LEU A 76 4.377 -7.386 -5.746 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.567 -9.591 -4.817 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.933 -9.758 -5.945 1.00 0.00 H new ATOM 0 HD13 LEU A 76 5.207 -9.879 -4.190 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.132 -7.571 -3.654 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.679 -7.563 -2.775 1.00 0.00 H new ATOM 0 HD23 LEU A 76 4.211 -6.159 -3.764 1.00 0.00 H new ATOM 1162 N LYS A 77 9.325 -7.551 -5.015 1.00 0.00 N ATOM 1163 CA LYS A 77 10.615 -8.078 -5.438 1.00 0.00 C ATOM 1164 C LYS A 77 11.482 -8.346 -4.211 1.00 0.00 C ATOM 1165 O LYS A 77 12.030 -9.434 -4.053 1.00 0.00 O ATOM 1166 CB LYS A 77 11.273 -7.062 -6.393 1.00 0.00 C ATOM 1167 CG LYS A 77 12.505 -7.618 -7.109 1.00 0.00 C ATOM 1168 CD LYS A 77 12.094 -8.247 -8.441 1.00 0.00 C ATOM 1169 CE LYS A 77 13.195 -9.174 -8.964 1.00 0.00 C ATOM 1170 NZ LYS A 77 14.249 -8.444 -9.701 1.00 0.00 N ATOM 0 H LYS A 77 9.084 -6.663 -5.455 1.00 0.00 H new ATOM 0 HA LYS A 77 10.493 -9.022 -5.969 1.00 0.00 H new ATOM 0 HB2 LYS A 77 10.541 -6.745 -7.136 1.00 0.00 H new ATOM 0 HB3 LYS A 77 11.559 -6.175 -5.828 1.00 0.00 H new ATOM 0 HG2 LYS A 77 13.227 -6.820 -7.281 1.00 0.00 H new ATOM 0 HG3 LYS A 77 12.996 -8.362 -6.482 1.00 0.00 H new ATOM 0 HD2 LYS A 77 11.169 -8.809 -8.313 1.00 0.00 H new ATOM 0 HD3 LYS A 77 11.893 -7.464 -9.172 1.00 0.00 H new ATOM 0 HE2 LYS A 77 13.645 -9.707 -8.126 1.00 0.00 H new ATOM 0 HE3 LYS A 77 12.752 -9.925 -9.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 14.969 -9.116 -10.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 13.828 -7.956 -10.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 14.692 -7.745 -9.071 1.00 0.00 H new ATOM 1184 N LEU A 78 11.567 -7.354 -3.330 1.00 0.00 N ATOM 1185 CA LEU A 78 12.389 -7.378 -2.135 1.00 0.00 C ATOM 1186 C LEU A 78 11.915 -8.506 -1.221 1.00 0.00 C ATOM 1187 O LEU A 78 12.708 -9.349 -0.807 1.00 0.00 O ATOM 1188 CB LEU A 78 12.325 -6.004 -1.436 1.00 0.00 C ATOM 1189 CG LEU A 78 12.865 -4.851 -2.308 1.00 0.00 C ATOM 1190 CD1 LEU A 78 12.506 -3.489 -1.707 1.00 0.00 C ATOM 1191 CD2 LEU A 78 14.377 -4.912 -2.504 1.00 0.00 C ATOM 0 H LEU A 78 11.046 -6.484 -3.436 1.00 0.00 H new ATOM 0 HA LEU A 78 13.431 -7.569 -2.393 1.00 0.00 H new ATOM 0 HB2 LEU A 78 11.292 -5.791 -1.163 1.00 0.00 H new ATOM 0 HB3 LEU A 78 12.897 -6.048 -0.509 1.00 0.00 H new ATOM 0 HG LEU A 78 12.388 -4.971 -3.281 1.00 0.00 H new ATOM 0 HD11 LEU A 78 12.899 -2.696 -2.343 1.00 0.00 H new ATOM 0 HD12 LEU A 78 11.422 -3.396 -1.639 1.00 0.00 H new ATOM 0 HD13 LEU A 78 12.941 -3.405 -0.711 1.00 0.00 H new ATOM 0 HD21 LEU A 78 14.697 -4.076 -3.125 1.00 0.00 H new ATOM 0 HD22 LEU A 78 14.872 -4.854 -1.535 1.00 0.00 H new ATOM 0 HD23 LEU A 78 14.643 -5.850 -2.992 1.00 0.00 H new ATOM 1203 N ALA A 79 10.614 -8.571 -0.935 1.00 0.00 N ATOM 1204 CA ALA A 79 10.086 -9.591 -0.044 1.00 0.00 C ATOM 1205 C ALA A 79 10.374 -10.989 -0.594 1.00 0.00 C ATOM 1206 O ALA A 79 10.678 -11.902 0.170 1.00 0.00 O ATOM 1207 CB ALA A 79 8.580 -9.385 0.142 1.00 0.00 C ATOM 0 H ALA A 79 9.914 -7.930 -1.308 1.00 0.00 H new ATOM 0 HA ALA A 79 10.578 -9.503 0.925 1.00 0.00 H new ATOM 0 HB1 ALA A 79 8.188 -10.151 0.810 1.00 0.00 H new ATOM 0 HB2 ALA A 79 8.398 -8.400 0.572 1.00 0.00 H new ATOM 0 HB3 ALA A 79 8.081 -9.456 -0.824 1.00 0.00 H new ATOM 1213 N ASN A 80 10.288 -11.164 -1.915 1.00 0.00 N ATOM 1214 CA ASN A 80 10.547 -12.406 -2.604 1.00 0.00 C ATOM 1215 C ASN A 80 12.024 -12.801 -2.539 1.00 0.00 C ATOM 1216 O ASN A 80 12.340 -13.982 -2.456 1.00 0.00 O ATOM 1217 CB ASN A 80 10.082 -12.191 -4.041 1.00 0.00 C ATOM 1218 CG ASN A 80 9.764 -13.485 -4.742 1.00 0.00 C ATOM 1219 OD1 ASN A 80 9.185 -14.402 -4.169 1.00 0.00 O ATOM 1220 ND2 ASN A 80 10.040 -13.529 -6.031 1.00 0.00 N ATOM 0 H ASN A 80 10.025 -10.408 -2.548 1.00 0.00 H new ATOM 0 HA ASN A 80 10.012 -13.232 -2.135 1.00 0.00 H new ATOM 0 HB2 ASN A 80 9.198 -11.554 -4.042 1.00 0.00 H new ATOM 0 HB3 ASN A 80 10.857 -11.662 -4.595 1.00 0.00 H new ATOM 0 HD21 ASN A 80 9.770 -14.343 -6.583 1.00 0.00 H new ATOM 0 HD22 ASN A 80 10.523 -12.749 -6.476 1.00 0.00 H new ATOM 1227 N GLU A 81 12.935 -11.822 -2.511 1.00 0.00 N ATOM 1228 CA GLU A 81 14.355 -12.056 -2.240 1.00 0.00 C ATOM 1229 C GLU A 81 14.603 -12.431 -0.772 1.00 0.00 C ATOM 1230 O GLU A 81 15.743 -12.664 -0.377 1.00 0.00 O ATOM 1231 CB GLU A 81 15.190 -10.813 -2.604 1.00 0.00 C ATOM 1232 CG GLU A 81 15.646 -10.813 -4.067 1.00 0.00 C ATOM 1233 CD GLU A 81 16.896 -9.944 -4.233 1.00 0.00 C ATOM 1234 OE1 GLU A 81 17.982 -10.415 -3.826 1.00 0.00 O ATOM 1235 OE2 GLU A 81 16.751 -8.811 -4.742 1.00 0.00 O ATOM 0 H GLU A 81 12.706 -10.842 -2.676 1.00 0.00 H new ATOM 0 HA GLU A 81 14.665 -12.896 -2.862 1.00 0.00 H new ATOM 0 HB2 GLU A 81 14.601 -9.916 -2.411 1.00 0.00 H new ATOM 0 HB3 GLU A 81 16.065 -10.766 -1.955 1.00 0.00 H new ATOM 0 HG2 GLU A 81 15.858 -11.833 -4.389 1.00 0.00 H new ATOM 0 HG3 GLU A 81 14.846 -10.437 -4.705 1.00 0.00 H new ATOM 1242 N GLY A 82 13.568 -12.475 0.066 1.00 0.00 N ATOM 1243 CA GLY A 82 13.726 -12.766 1.479 1.00 0.00 C ATOM 1244 C GLY A 82 14.021 -11.506 2.283 1.00 0.00 C ATOM 1245 O GLY A 82 14.234 -11.590 3.491 1.00 0.00 O ATOM 0 H GLY A 82 12.603 -12.310 -0.220 1.00 0.00 H new ATOM 0 HA2 GLY A 82 12.818 -13.235 1.858 1.00 0.00 H new ATOM 0 HA3 GLY A 82 14.536 -13.483 1.615 1.00 0.00 H new ATOM 1249 N LYS A 83 14.012 -10.323 1.658 1.00 0.00 N ATOM 1250 CA LYS A 83 14.116 -9.065 2.383 1.00 0.00 C ATOM 1251 C LYS A 83 12.785 -8.737 3.028 1.00 0.00 C ATOM 1252 O LYS A 83 12.099 -7.801 2.631 1.00 0.00 O ATOM 1253 CB LYS A 83 14.635 -7.945 1.469 1.00 0.00 C ATOM 1254 CG LYS A 83 16.159 -7.997 1.552 1.00 0.00 C ATOM 1255 CD LYS A 83 16.882 -7.452 0.323 1.00 0.00 C ATOM 1256 CE LYS A 83 18.223 -8.188 0.300 1.00 0.00 C ATOM 1257 NZ LYS A 83 19.298 -7.390 -0.314 1.00 0.00 N ATOM 0 H LYS A 83 13.933 -10.217 0.647 1.00 0.00 H new ATOM 0 HA LYS A 83 14.850 -9.163 3.183 1.00 0.00 H new ATOM 0 HB2 LYS A 83 14.296 -8.091 0.443 1.00 0.00 H new ATOM 0 HB3 LYS A 83 14.261 -6.974 1.793 1.00 0.00 H new ATOM 0 HG2 LYS A 83 16.481 -7.432 2.427 1.00 0.00 H new ATOM 0 HG3 LYS A 83 16.466 -9.031 1.709 1.00 0.00 H new ATOM 0 HD2 LYS A 83 16.312 -7.640 -0.587 1.00 0.00 H new ATOM 0 HD3 LYS A 83 17.024 -6.374 0.393 1.00 0.00 H new ATOM 0 HE2 LYS A 83 18.507 -8.450 1.319 1.00 0.00 H new ATOM 0 HE3 LYS A 83 18.111 -9.123 -0.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 20.184 -7.935 -0.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 19.043 -7.161 -1.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 19.427 -6.509 0.224 1.00 0.00 H new ATOM 1271 N VAL A 84 12.458 -9.464 4.096 1.00 0.00 N ATOM 1272 CA VAL A 84 11.347 -9.105 4.956 1.00 0.00 C ATOM 1273 C VAL A 84 11.595 -7.693 5.467 1.00 0.00 C ATOM 1274 O VAL A 84 10.681 -6.883 5.531 1.00 0.00 O ATOM 1275 CB VAL A 84 11.240 -10.114 6.117 1.00 0.00 C ATOM 1276 CG1 VAL A 84 10.099 -9.742 7.072 1.00 0.00 C ATOM 1277 CG2 VAL A 84 11.013 -11.515 5.546 1.00 0.00 C ATOM 0 H VAL A 84 12.954 -10.308 4.382 1.00 0.00 H new ATOM 0 HA VAL A 84 10.403 -9.133 4.412 1.00 0.00 H new ATOM 0 HB VAL A 84 12.170 -10.093 6.686 1.00 0.00 H new ATOM 0 HG11 VAL A 84 10.048 -10.472 7.880 1.00 0.00 H new ATOM 0 HG12 VAL A 84 10.281 -8.751 7.488 1.00 0.00 H new ATOM 0 HG13 VAL A 84 9.155 -9.738 6.527 1.00 0.00 H new ATOM 0 HG21 VAL A 84 10.937 -12.233 6.363 1.00 0.00 H new ATOM 0 HG22 VAL A 84 10.091 -11.526 4.966 1.00 0.00 H new ATOM 0 HG23 VAL A 84 11.850 -11.786 4.902 1.00 0.00 H new ATOM 1287 N LYS A 85 12.850 -7.369 5.786 1.00 0.00 N ATOM 1288 CA LYS A 85 13.155 -6.139 6.481 1.00 0.00 C ATOM 1289 C LYS A 85 13.007 -4.962 5.543 1.00 0.00 C ATOM 1290 O LYS A 85 12.396 -3.965 5.898 1.00 0.00 O ATOM 1291 CB LYS A 85 14.565 -6.212 7.071 1.00 0.00 C ATOM 1292 CG LYS A 85 14.593 -5.364 8.340 1.00 0.00 C ATOM 1293 CD LYS A 85 15.881 -5.594 9.124 1.00 0.00 C ATOM 1294 CE LYS A 85 15.700 -4.915 10.481 1.00 0.00 C ATOM 1295 NZ LYS A 85 16.965 -4.842 11.237 1.00 0.00 N ATOM 0 H LYS A 85 13.662 -7.947 5.570 1.00 0.00 H new ATOM 0 HA LYS A 85 12.452 -6.001 7.302 1.00 0.00 H new ATOM 0 HB2 LYS A 85 14.830 -7.245 7.298 1.00 0.00 H new ATOM 0 HB3 LYS A 85 15.298 -5.845 6.352 1.00 0.00 H new ATOM 0 HG2 LYS A 85 14.506 -4.309 8.079 1.00 0.00 H new ATOM 0 HG3 LYS A 85 13.734 -5.610 8.965 1.00 0.00 H new ATOM 0 HD2 LYS A 85 16.073 -6.660 9.248 1.00 0.00 H new ATOM 0 HD3 LYS A 85 16.736 -5.176 8.593 1.00 0.00 H new ATOM 0 HE2 LYS A 85 15.308 -3.909 10.333 1.00 0.00 H new ATOM 0 HE3 LYS A 85 14.960 -5.463 11.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 16.797 -4.374 12.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 17.327 -5.803 11.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 17.664 -4.297 10.693 1.00 0.00 H new ATOM 1309 N GLU A 86 13.545 -5.079 4.331 1.00 0.00 N ATOM 1310 CA GLU A 86 13.435 -4.006 3.368 1.00 0.00 C ATOM 1311 C GLU A 86 11.998 -3.893 2.867 1.00 0.00 C ATOM 1312 O GLU A 86 11.566 -2.808 2.501 1.00 0.00 O ATOM 1313 CB GLU A 86 14.421 -4.244 2.222 1.00 0.00 C ATOM 1314 CG GLU A 86 15.207 -2.956 1.971 1.00 0.00 C ATOM 1315 CD GLU A 86 15.950 -2.981 0.635 1.00 0.00 C ATOM 1316 OE1 GLU A 86 16.544 -4.040 0.330 1.00 0.00 O ATOM 1317 OE2 GLU A 86 15.925 -1.940 -0.054 1.00 0.00 O ATOM 0 H GLU A 86 14.054 -5.899 4.003 1.00 0.00 H new ATOM 0 HA GLU A 86 13.690 -3.058 3.841 1.00 0.00 H new ATOM 0 HB2 GLU A 86 15.101 -5.058 2.472 1.00 0.00 H new ATOM 0 HB3 GLU A 86 13.886 -4.541 1.320 1.00 0.00 H new ATOM 0 HG2 GLU A 86 14.524 -2.107 1.988 1.00 0.00 H new ATOM 0 HG3 GLU A 86 15.923 -2.806 2.779 1.00 0.00 H new ATOM 1324 N ALA A 87 11.221 -4.978 2.912 1.00 0.00 N ATOM 1325 CA ALA A 87 9.807 -4.903 2.598 1.00 0.00 C ATOM 1326 C ALA A 87 9.060 -4.117 3.686 1.00 0.00 C ATOM 1327 O ALA A 87 8.180 -3.320 3.366 1.00 0.00 O ATOM 1328 CB ALA A 87 9.256 -6.317 2.409 1.00 0.00 C ATOM 0 H ALA A 87 11.552 -5.910 3.162 1.00 0.00 H new ATOM 0 HA ALA A 87 9.657 -4.361 1.664 1.00 0.00 H new ATOM 0 HB1 ALA A 87 8.193 -6.265 2.173 1.00 0.00 H new ATOM 0 HB2 ALA A 87 9.786 -6.808 1.592 1.00 0.00 H new ATOM 0 HB3 ALA A 87 9.396 -6.888 3.327 1.00 0.00 H new ATOM 1334 N GLN A 88 9.430 -4.267 4.966 1.00 0.00 N ATOM 1335 CA GLN A 88 8.841 -3.419 6.003 1.00 0.00 C ATOM 1336 C GLN A 88 9.335 -1.980 5.859 1.00 0.00 C ATOM 1337 O GLN A 88 8.586 -1.041 6.098 1.00 0.00 O ATOM 1338 CB GLN A 88 9.186 -3.892 7.422 1.00 0.00 C ATOM 1339 CG GLN A 88 8.703 -5.306 7.757 1.00 0.00 C ATOM 1340 CD GLN A 88 8.979 -5.659 9.217 1.00 0.00 C ATOM 1341 OE1 GLN A 88 9.963 -5.215 9.799 1.00 0.00 O ATOM 1342 NE2 GLN A 88 8.134 -6.483 9.821 1.00 0.00 N ATOM 0 H GLN A 88 10.114 -4.947 5.298 1.00 0.00 H new ATOM 0 HA GLN A 88 7.762 -3.480 5.865 1.00 0.00 H new ATOM 0 HB2 GLN A 88 10.267 -3.851 7.552 1.00 0.00 H new ATOM 0 HB3 GLN A 88 8.753 -3.195 8.139 1.00 0.00 H new ATOM 0 HG2 GLN A 88 7.634 -5.383 7.558 1.00 0.00 H new ATOM 0 HG3 GLN A 88 9.201 -6.026 7.107 1.00 0.00 H new ATOM 0 HE21 GLN A 88 7.322 -6.840 9.317 1.00 0.00 H new ATOM 0 HE22 GLN A 88 8.296 -6.760 10.789 1.00 0.00 H new ATOM 1351 N ALA A 89 10.591 -1.771 5.465 1.00 0.00 N ATOM 1352 CA ALA A 89 11.127 -0.424 5.365 1.00 0.00 C ATOM 1353 C ALA A 89 10.452 0.310 4.210 1.00 0.00 C ATOM 1354 O ALA A 89 10.173 1.501 4.300 1.00 0.00 O ATOM 1355 CB ALA A 89 12.643 -0.482 5.171 1.00 0.00 C ATOM 0 H ALA A 89 11.246 -2.511 5.214 1.00 0.00 H new ATOM 0 HA ALA A 89 10.924 0.123 6.286 1.00 0.00 H new ATOM 0 HB1 ALA A 89 13.039 0.531 5.097 1.00 0.00 H new ATOM 0 HB2 ALA A 89 13.099 -0.989 6.021 1.00 0.00 H new ATOM 0 HB3 ALA A 89 12.872 -1.029 4.257 1.00 0.00 H new ATOM 1361 N ALA A 90 10.121 -0.411 3.139 1.00 0.00 N ATOM 1362 CA ALA A 90 9.335 0.140 2.058 1.00 0.00 C ATOM 1363 C ALA A 90 7.966 0.572 2.569 1.00 0.00 C ATOM 1364 O ALA A 90 7.456 1.577 2.085 1.00 0.00 O ATOM 1365 CB ALA A 90 9.222 -0.867 0.912 1.00 0.00 C ATOM 0 H ALA A 90 10.392 -1.385 3.005 1.00 0.00 H new ATOM 0 HA ALA A 90 9.837 1.025 1.667 1.00 0.00 H new ATOM 0 HB1 ALA A 90 8.627 -0.436 0.107 1.00 0.00 H new ATOM 0 HB2 ALA A 90 10.218 -1.107 0.539 1.00 0.00 H new ATOM 0 HB3 ALA A 90 8.740 -1.776 1.273 1.00 0.00 H new ATOM 1371 N ALA A 91 7.381 -0.095 3.573 1.00 0.00 N ATOM 1372 CA ALA A 91 6.119 0.390 4.117 1.00 0.00 C ATOM 1373 C ALA A 91 6.233 1.828 4.614 1.00 0.00 C ATOM 1374 O ALA A 91 5.237 2.537 4.543 1.00 0.00 O ATOM 1375 CB ALA A 91 5.531 -0.533 5.191 1.00 0.00 C ATOM 0 H ALA A 91 7.749 -0.941 4.008 1.00 0.00 H new ATOM 0 HA ALA A 91 5.411 0.380 3.288 1.00 0.00 H new ATOM 0 HB1 ALA A 91 4.592 -0.116 5.555 1.00 0.00 H new ATOM 0 HB2 ALA A 91 5.348 -1.519 4.763 1.00 0.00 H new ATOM 0 HB3 ALA A 91 6.234 -0.622 6.019 1.00 0.00 H new ATOM 1381 N GLU A 92 7.406 2.313 5.034 1.00 0.00 N ATOM 1382 CA GLU A 92 7.545 3.734 5.336 1.00 0.00 C ATOM 1383 C GLU A 92 7.280 4.603 4.108 1.00 0.00 C ATOM 1384 O GLU A 92 6.690 5.670 4.226 1.00 0.00 O ATOM 1385 CB GLU A 92 8.932 4.077 5.884 1.00 0.00 C ATOM 1386 CG GLU A 92 9.211 3.398 7.229 1.00 0.00 C ATOM 1387 CD GLU A 92 9.903 4.366 8.188 1.00 0.00 C ATOM 1388 OE1 GLU A 92 9.188 5.260 8.695 1.00 0.00 O ATOM 1389 OE2 GLU A 92 11.127 4.209 8.394 1.00 0.00 O ATOM 0 H GLU A 92 8.250 1.757 5.169 1.00 0.00 H new ATOM 0 HA GLU A 92 6.798 3.946 6.101 1.00 0.00 H new ATOM 0 HB2 GLU A 92 9.690 3.774 5.162 1.00 0.00 H new ATOM 0 HB3 GLU A 92 9.017 5.157 6.001 1.00 0.00 H new ATOM 0 HG2 GLU A 92 8.276 3.050 7.667 1.00 0.00 H new ATOM 0 HG3 GLU A 92 9.838 2.519 7.076 1.00 0.00 H new ATOM 1396 N GLN A 93 7.713 4.185 2.918 1.00 0.00 N ATOM 1397 CA GLN A 93 7.480 4.971 1.716 1.00 0.00 C ATOM 1398 C GLN A 93 5.999 4.997 1.353 1.00 0.00 C ATOM 1399 O GLN A 93 5.454 6.081 1.145 1.00 0.00 O ATOM 1400 CB GLN A 93 8.298 4.458 0.532 1.00 0.00 C ATOM 1401 CG GLN A 93 9.806 4.600 0.748 1.00 0.00 C ATOM 1402 CD GLN A 93 10.559 4.447 -0.572 1.00 0.00 C ATOM 1403 OE1 GLN A 93 10.020 3.984 -1.570 1.00 0.00 O ATOM 1404 NE2 GLN A 93 11.817 4.862 -0.616 1.00 0.00 N ATOM 0 H GLN A 93 8.222 3.314 2.766 1.00 0.00 H new ATOM 0 HA GLN A 93 7.806 5.987 1.937 1.00 0.00 H new ATOM 0 HB2 GLN A 93 8.058 3.409 0.357 1.00 0.00 H new ATOM 0 HB3 GLN A 93 8.011 5.005 -0.366 1.00 0.00 H new ATOM 0 HG2 GLN A 93 10.025 5.574 1.186 1.00 0.00 H new ATOM 0 HG3 GLN A 93 10.149 3.847 1.457 1.00 0.00 H new ATOM 0 HE21 GLN A 93 12.257 5.246 0.220 1.00 0.00 H new ATOM 0 HE22 GLN A 93 12.345 4.797 -1.486 1.00 0.00 H new ATOM 1413 N LEU A 94 5.319 3.843 1.319 1.00 0.00 N ATOM 1414 CA LEU A 94 3.906 3.805 0.975 1.00 0.00 C ATOM 1415 C LEU A 94 3.145 4.658 1.979 1.00 0.00 C ATOM 1416 O LEU A 94 2.299 5.457 1.596 1.00 0.00 O ATOM 1417 CB LEU A 94 3.382 2.357 0.968 1.00 0.00 C ATOM 1418 CG LEU A 94 4.084 1.525 -0.121 1.00 0.00 C ATOM 1419 CD1 LEU A 94 5.041 0.461 0.410 1.00 0.00 C ATOM 1420 CD2 LEU A 94 3.165 0.753 -1.037 1.00 0.00 C ATOM 0 H LEU A 94 5.729 2.932 1.526 1.00 0.00 H new ATOM 0 HA LEU A 94 3.759 4.203 -0.029 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.548 1.901 1.944 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.306 2.356 0.795 1.00 0.00 H new ATOM 0 HG LEU A 94 4.605 2.320 -0.655 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.489 -0.075 -0.426 1.00 0.00 H new ATOM 0 HD12 LEU A 94 5.825 0.938 0.998 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.493 -0.241 1.039 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.758 0.201 -1.767 1.00 0.00 H new ATOM 0 HD22 LEU A 94 2.570 0.054 -0.450 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.503 1.446 -1.557 1.00 0.00 H new ATOM 1432 N LYS A 95 3.500 4.515 3.257 1.00 0.00 N ATOM 1433 CA LYS A 95 2.975 5.267 4.387 1.00 0.00 C ATOM 1434 C LYS A 95 3.267 6.758 4.305 1.00 0.00 C ATOM 1435 O LYS A 95 2.457 7.577 4.746 1.00 0.00 O ATOM 1436 CB LYS A 95 3.534 4.664 5.666 1.00 0.00 C ATOM 1437 CG LYS A 95 2.784 5.142 6.903 1.00 0.00 C ATOM 1438 CD LYS A 95 3.618 4.733 8.112 1.00 0.00 C ATOM 1439 CE LYS A 95 2.785 4.904 9.378 1.00 0.00 C ATOM 1440 NZ LYS A 95 3.480 4.341 10.556 1.00 0.00 N ATOM 0 H LYS A 95 4.201 3.832 3.542 1.00 0.00 H new ATOM 0 HA LYS A 95 1.888 5.188 4.374 1.00 0.00 H new ATOM 0 HB2 LYS A 95 3.479 3.577 5.607 1.00 0.00 H new ATOM 0 HB3 LYS A 95 4.588 4.926 5.759 1.00 0.00 H new ATOM 0 HG2 LYS A 95 2.646 6.223 6.877 1.00 0.00 H new ATOM 0 HG3 LYS A 95 1.791 4.695 6.950 1.00 0.00 H new ATOM 0 HD2 LYS A 95 3.941 3.697 8.012 1.00 0.00 H new ATOM 0 HD3 LYS A 95 4.519 5.343 8.170 1.00 0.00 H new ATOM 0 HE2 LYS A 95 2.583 5.962 9.543 1.00 0.00 H new ATOM 0 HE3 LYS A 95 1.821 4.411 9.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 2.890 4.472 11.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 3.651 3.326 10.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 4.389 4.829 10.689 1.00 0.00 H new ATOM 1454 N THR A 96 4.409 7.134 3.741 1.00 0.00 N ATOM 1455 CA THR A 96 4.743 8.532 3.589 1.00 0.00 C ATOM 1456 C THR A 96 3.795 9.082 2.552 1.00 0.00 C ATOM 1457 O THR A 96 3.228 10.140 2.775 1.00 0.00 O ATOM 1458 CB THR A 96 6.215 8.700 3.202 1.00 0.00 C ATOM 1459 OG1 THR A 96 6.999 8.563 4.360 1.00 0.00 O ATOM 1460 CG2 THR A 96 6.552 10.066 2.604 1.00 0.00 C ATOM 0 H THR A 96 5.113 6.487 3.385 1.00 0.00 H new ATOM 0 HA THR A 96 4.629 9.083 4.522 1.00 0.00 H new ATOM 0 HB THR A 96 6.417 7.942 2.445 1.00 0.00 H new ATOM 0 HG1 THR A 96 7.069 7.615 4.597 1.00 0.00 H new ATOM 0 HG21 THR A 96 7.613 10.103 2.357 1.00 0.00 H new ATOM 0 HG22 THR A 96 5.963 10.223 1.700 1.00 0.00 H new ATOM 0 HG23 THR A 96 6.320 10.847 3.328 1.00 0.00 H new ATOM 1468 N THR A 97 3.537 8.353 1.465 1.00 0.00 N ATOM 1469 CA THR A 97 2.548 8.793 0.506 1.00 0.00 C ATOM 1470 C THR A 97 1.139 8.727 1.095 1.00 0.00 C ATOM 1471 O THR A 97 0.336 9.579 0.717 1.00 0.00 O ATOM 1472 CB THR A 97 2.670 7.966 -0.770 1.00 0.00 C ATOM 1473 OG1 THR A 97 3.656 8.507 -1.607 1.00 0.00 O ATOM 1474 CG2 THR A 97 1.399 8.038 -1.626 1.00 0.00 C ATOM 0 H THR A 97 3.996 7.471 1.237 1.00 0.00 H new ATOM 0 HA THR A 97 2.733 9.838 0.257 1.00 0.00 H new ATOM 0 HB THR A 97 2.884 6.950 -0.438 1.00 0.00 H new ATOM 0 HG1 THR A 97 3.295 8.612 -2.512 1.00 0.00 H new ATOM 0 HG21 THR A 97 1.531 7.435 -2.524 1.00 0.00 H new ATOM 0 HG22 THR A 97 0.553 7.657 -1.054 1.00 0.00 H new ATOM 0 HG23 THR A 97 1.209 9.073 -1.909 1.00 0.00 H new ATOM 1482 N CYS A 98 0.826 7.792 2.016 1.00 0.00 N ATOM 1483 CA CYS A 98 -0.487 7.753 2.657 1.00 0.00 C ATOM 1484 C CYS A 98 -0.741 9.142 3.202 1.00 0.00 C ATOM 1485 O CYS A 98 -1.741 9.767 2.882 1.00 0.00 O ATOM 1486 CB CYS A 98 -0.638 6.779 3.826 1.00 0.00 C ATOM 1487 SG CYS A 98 -0.333 4.997 3.583 1.00 0.00 S ATOM 0 H CYS A 98 1.467 7.061 2.325 1.00 0.00 H new ATOM 0 HA CYS A 98 -1.188 7.412 1.895 1.00 0.00 H new ATOM 0 HB2 CYS A 98 0.033 7.117 4.616 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -1.655 6.884 4.204 1.00 0.00 H new ATOM 1492 N ASN A 99 0.188 9.604 4.034 1.00 0.00 N ATOM 1493 CA ASN A 99 0.052 10.856 4.744 1.00 0.00 C ATOM 1494 C ASN A 99 0.245 12.081 3.853 1.00 0.00 C ATOM 1495 O ASN A 99 -0.386 13.107 4.088 1.00 0.00 O ATOM 1496 CB ASN A 99 1.029 10.861 5.920 1.00 0.00 C ATOM 1497 CG ASN A 99 0.436 10.088 7.088 1.00 0.00 C ATOM 1498 OD1 ASN A 99 -0.634 10.418 7.582 1.00 0.00 O ATOM 1499 ND2 ASN A 99 1.101 9.034 7.537 1.00 0.00 N ATOM 0 H ASN A 99 1.059 9.111 4.231 1.00 0.00 H new ATOM 0 HA ASN A 99 -0.973 10.928 5.108 1.00 0.00 H new ATOM 0 HB2 ASN A 99 1.976 10.413 5.619 1.00 0.00 H new ATOM 0 HB3 ASN A 99 1.243 11.886 6.222 1.00 0.00 H new ATOM 0 HD21 ASN A 99 0.723 8.482 8.307 1.00 0.00 H new ATOM 0 HD22 ASN A 99 1.991 8.774 7.113 1.00 0.00 H new ATOM 1506 N ALA A 100 1.124 12.008 2.852 1.00 0.00 N ATOM 1507 CA ALA A 100 1.439 13.153 2.008 1.00 0.00 C ATOM 1508 C ALA A 100 0.206 13.482 1.188 1.00 0.00 C ATOM 1509 O ALA A 100 -0.297 14.604 1.254 1.00 0.00 O ATOM 1510 CB ALA A 100 2.653 12.911 1.095 1.00 0.00 C ATOM 0 H ALA A 100 1.632 11.158 2.608 1.00 0.00 H new ATOM 0 HA ALA A 100 1.716 13.991 2.648 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.837 13.800 0.491 1.00 0.00 H new ATOM 0 HB2 ALA A 100 3.531 12.699 1.705 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.453 12.063 0.440 1.00 0.00 H new ATOM 1516 N TYR A 101 -0.310 12.497 0.443 1.00 0.00 N ATOM 1517 CA TYR A 101 -1.603 12.692 -0.179 1.00 0.00 C ATOM 1518 C TYR A 101 -2.654 13.050 0.872 1.00 0.00 C ATOM 1519 O TYR A 101 -3.278 14.090 0.724 1.00 0.00 O ATOM 1520 CB TYR A 101 -1.997 11.502 -1.054 1.00 0.00 C ATOM 1521 CG TYR A 101 -1.339 11.583 -2.419 1.00 0.00 C ATOM 1522 CD1 TYR A 101 0.036 11.332 -2.560 1.00 0.00 C ATOM 1523 CD2 TYR A 101 -2.074 12.022 -3.533 1.00 0.00 C ATOM 1524 CE1 TYR A 101 0.669 11.479 -3.809 1.00 0.00 C ATOM 1525 CE2 TYR A 101 -1.442 12.232 -4.770 1.00 0.00 C ATOM 1526 CZ TYR A 101 -0.067 11.952 -4.920 1.00 0.00 C ATOM 1527 OH TYR A 101 0.537 12.140 -6.129 1.00 0.00 O ATOM 0 H TYR A 101 0.134 11.596 0.267 1.00 0.00 H new ATOM 0 HA TYR A 101 -1.538 13.541 -0.860 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -1.707 10.574 -0.562 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -3.080 11.476 -1.171 1.00 0.00 H new ATOM 0 HD1 TYR A 101 0.614 11.023 -1.701 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -3.135 12.200 -3.437 1.00 0.00 H new ATOM 0 HE1 TYR A 101 1.714 11.231 -3.918 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -2.010 12.609 -5.608 1.00 0.00 H new ATOM 0 HH TYR A 101 -0.122 12.468 -6.776 1.00 0.00 H new ATOM 1537 N HIS A 102 -2.833 12.284 1.953 1.00 0.00 N ATOM 1538 CA HIS A 102 -3.853 12.564 2.972 1.00 0.00 C ATOM 1539 C HIS A 102 -3.764 13.970 3.587 1.00 0.00 C ATOM 1540 O HIS A 102 -4.708 14.389 4.242 1.00 0.00 O ATOM 1541 CB HIS A 102 -3.804 11.556 4.135 1.00 0.00 C ATOM 1542 CG HIS A 102 -4.505 10.225 4.008 1.00 0.00 C ATOM 1543 ND1 HIS A 102 -4.833 9.454 5.091 1.00 0.00 N ATOM 1544 CD2 HIS A 102 -4.923 9.572 2.878 1.00 0.00 C ATOM 1545 CE1 HIS A 102 -5.478 8.371 4.644 1.00 0.00 C ATOM 1546 NE2 HIS A 102 -5.595 8.404 3.302 1.00 0.00 N ATOM 0 H HIS A 102 -2.276 11.452 2.147 1.00 0.00 H new ATOM 0 HA HIS A 102 -4.790 12.481 2.421 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -2.754 11.351 4.343 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -4.212 12.055 5.014 1.00 0.00 H new ATOM 0 HD1 HIS A 102 -4.623 9.668 6.066 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -4.768 9.890 1.858 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -5.854 7.578 5.273 1.00 0.00 H new ATOM 1554 N GLN A 103 -2.667 14.714 3.429 1.00 0.00 N ATOM 1555 CA GLN A 103 -2.590 16.066 3.968 1.00 0.00 C ATOM 1556 C GLN A 103 -3.432 17.063 3.155 1.00 0.00 C ATOM 1557 O GLN A 103 -3.736 18.145 3.649 1.00 0.00 O ATOM 1558 CB GLN A 103 -1.113 16.496 4.041 1.00 0.00 C ATOM 1559 CG GLN A 103 -0.623 16.697 5.487 1.00 0.00 C ATOM 1560 CD GLN A 103 -0.165 18.127 5.775 1.00 0.00 C ATOM 1561 OE1 GLN A 103 -0.630 19.090 5.177 1.00 0.00 O ATOM 1562 NE2 GLN A 103 0.770 18.302 6.699 1.00 0.00 N ATOM 0 H GLN A 103 -1.829 14.404 2.937 1.00 0.00 H new ATOM 0 HA GLN A 103 -3.013 16.066 4.972 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -0.495 15.742 3.554 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -0.981 17.424 3.485 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -1.426 16.434 6.176 1.00 0.00 H new ATOM 0 HG3 GLN A 103 0.202 16.012 5.683 1.00 0.00 H new ATOM 0 HE21 GLN A 103 1.154 17.497 7.194 1.00 0.00 H new ATOM 0 HE22 GLN A 103 1.105 19.241 6.914 1.00 0.00 H new ATOM 1571 N LYS A 104 -3.829 16.715 1.924 1.00 0.00 N ATOM 1572 CA LYS A 104 -4.733 17.532 1.105 1.00 0.00 C ATOM 1573 C LYS A 104 -5.910 16.735 0.524 1.00 0.00 C ATOM 1574 O LYS A 104 -7.010 17.269 0.394 1.00 0.00 O ATOM 1575 CB LYS A 104 -3.997 18.205 -0.066 1.00 0.00 C ATOM 1576 CG LYS A 104 -2.661 18.902 0.246 1.00 0.00 C ATOM 1577 CD LYS A 104 -1.488 18.012 -0.192 1.00 0.00 C ATOM 1578 CE LYS A 104 -0.112 18.669 -0.019 1.00 0.00 C ATOM 1579 NZ LYS A 104 0.071 19.854 -0.888 1.00 0.00 N ATOM 0 H LYS A 104 -3.530 15.854 1.466 1.00 0.00 H new ATOM 0 HA LYS A 104 -5.120 18.285 1.792 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -3.812 17.448 -0.828 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -4.668 18.943 -0.506 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -2.613 19.861 -0.270 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -2.591 19.110 1.314 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -1.513 17.086 0.383 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -1.621 17.741 -1.239 1.00 0.00 H new ATOM 0 HE2 LYS A 104 0.016 18.964 1.022 1.00 0.00 H new ATOM 0 HE3 LYS A 104 0.665 17.938 -0.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 1.040 20.217 -0.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -0.090 19.585 -1.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -0.608 20.593 -0.615 1.00 0.00 H new ATOM 1593 N TYR A 105 -5.642 15.506 0.078 1.00 0.00 N ATOM 1594 CA TYR A 105 -6.509 14.614 -0.685 1.00 0.00 C ATOM 1595 C TYR A 105 -7.494 13.833 0.161 1.00 0.00 C ATOM 1596 O TYR A 105 -8.429 13.259 -0.389 1.00 0.00 O ATOM 1597 CB TYR A 105 -5.657 13.535 -1.357 1.00 0.00 C ATOM 1598 CG TYR A 105 -4.949 13.987 -2.603 1.00 0.00 C ATOM 1599 CD1 TYR A 105 -3.742 14.709 -2.555 1.00 0.00 C ATOM 1600 CD2 TYR A 105 -5.516 13.638 -3.834 1.00 0.00 C ATOM 1601 CE1 TYR A 105 -3.089 15.048 -3.753 1.00 0.00 C ATOM 1602 CE2 TYR A 105 -4.935 14.081 -5.027 1.00 0.00 C ATOM 1603 CZ TYR A 105 -3.699 14.757 -4.994 1.00 0.00 C ATOM 1604 OH TYR A 105 -3.064 15.074 -6.152 1.00 0.00 O ATOM 0 H TYR A 105 -4.735 15.075 0.258 1.00 0.00 H new ATOM 0 HA TYR A 105 -7.046 15.267 -1.373 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -4.916 13.178 -0.642 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -6.296 12.687 -1.604 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -3.320 15.001 -1.604 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -6.405 13.025 -3.863 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -2.123 15.530 -3.725 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -5.432 13.906 -5.970 1.00 0.00 H new ATOM 0 HH TYR A 105 -2.943 14.264 -6.691 1.00 0.00 H new ATOM 1614 N ARG A 106 -7.264 13.751 1.462 1.00 0.00 N ATOM 1615 CA ARG A 106 -8.208 13.197 2.407 1.00 0.00 C ATOM 1616 C ARG A 106 -8.268 14.222 3.538 1.00 0.00 C ATOM 1617 O ARG A 106 -9.221 14.146 4.338 1.00 0.00 O ATOM 1618 CB ARG A 106 -7.791 11.747 2.741 1.00 0.00 C ATOM 1619 CG ARG A 106 -8.693 11.025 3.738 1.00 0.00 C ATOM 1620 CD ARG A 106 -8.623 11.617 5.136 1.00 0.00 C ATOM 1621 NE ARG A 106 -8.429 10.597 6.169 1.00 0.00 N ATOM 1622 CZ ARG A 106 -8.826 10.751 7.435 1.00 0.00 C ATOM 1623 NH1 ARG A 106 -9.575 11.798 7.784 1.00 0.00 N ATOM 1624 NH2 ARG A 106 -8.451 9.863 8.354 1.00 0.00 N ATOM 1625 OXT ARG A 106 -7.402 15.123 3.524 1.00 0.00 O ATOM 0 H ARG A 106 -6.399 14.075 1.894 1.00 0.00 H new ATOM 0 HA ARG A 106 -9.231 13.063 2.056 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -7.765 11.171 1.816 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -6.776 11.760 3.137 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -9.723 11.065 3.383 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -8.411 9.973 3.780 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -7.805 12.336 5.182 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -9.542 12.166 5.341 1.00 0.00 H new ATOM 0 HE ARG A 106 -7.968 9.725 5.909 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -9.848 12.486 7.083 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -9.875 11.910 8.752 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -7.864 9.072 8.089 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -8.750 9.974 9.323 1.00 0.00 H new TER 1639 ARG A 106 HETATM 1640 FE HEB A 107 -6.471 7.011 2.161 1.00 0.00 FE HETATM 1641 CHA HEB A 107 -9.567 7.713 3.487 1.00 0.00 C HETATM 1642 CHB HEB A 107 -5.834 4.834 4.767 1.00 0.00 C HETATM 1643 CHC HEB A 107 -3.429 6.418 0.822 1.00 0.00 C HETATM 1644 CHD HEB A 107 -7.214 9.142 -0.576 1.00 0.00 C HETATM 1645 NA HEB A 107 -7.504 6.410 3.848 1.00 0.00 N HETATM 1646 C1A HEB A 107 -8.732 6.861 4.191 1.00 0.00 C HETATM 1647 C2A HEB A 107 -9.087 6.256 5.449 1.00 0.00 C HETATM 1648 C3A HEB A 107 -8.074 5.380 5.782 1.00 0.00 C HETATM 1649 C4A HEB A 107 -7.053 5.510 4.768 1.00 0.00 C HETATM 1650 CMA HEB A 107 -8.051 4.405 6.934 1.00 0.00 C HETATM 1651 CAA HEB A 107 -10.322 6.609 6.244 1.00 0.00 C HETATM 1652 CBA HEB A 107 -11.667 6.389 5.527 1.00 0.00 C HETATM 1653 CGA HEB A 107 -12.506 7.661 5.532 1.00 0.00 C HETATM 1654 O1A HEB A 107 -12.517 8.341 6.581 1.00 0.00 O HETATM 1655 O2A HEB A 107 -13.081 7.951 4.466 1.00 0.00 O HETATM 1656 NB HEB A 107 -4.893 5.907 2.731 1.00 0.00 N HETATM 1657 C1B HEB A 107 -4.846 5.067 3.807 1.00 0.00 C HETATM 1658 C2B HEB A 107 -3.564 4.408 3.778 1.00 0.00 C HETATM 1659 C3B HEB A 107 -2.878 4.903 2.689 1.00 0.00 C HETATM 1660 C4B HEB A 107 -3.759 5.804 2.010 1.00 0.00 C HETATM 1661 CMB HEB A 107 -3.115 3.339 4.739 1.00 0.00 C HETATM 1662 CAB HEB A 107 -1.460 4.635 2.259 1.00 0.00 C HETATM 1663 CBB HEB A 107 -1.261 3.283 1.606 1.00 0.00 C HETATM 1664 NC HEB A 107 -5.508 7.652 0.444 1.00 0.00 N HETATM 1665 C1C HEB A 107 -4.244 7.279 0.147 1.00 0.00 C HETATM 1666 C2C HEB A 107 -3.816 7.940 -1.047 1.00 0.00 C HETATM 1667 C3C HEB A 107 -4.875 8.720 -1.440 1.00 0.00 C HETATM 1668 C4C HEB A 107 -5.963 8.532 -0.507 1.00 0.00 C HETATM 1669 CMC HEB A 107 -2.465 7.744 -1.682 1.00 0.00 C HETATM 1670 CAC HEB A 107 -4.868 9.678 -2.609 1.00 0.00 C HETATM 1671 CBC HEB A 107 -4.904 9.203 -3.871 1.00 0.00 C HETATM 1672 ND HEB A 107 -8.114 8.165 1.538 1.00 0.00 N HETATM 1673 C1D HEB A 107 -8.201 8.921 0.393 1.00 0.00 C HETATM 1674 C2D HEB A 107 -9.534 9.483 0.362 1.00 0.00 C HETATM 1675 C3D HEB A 107 -10.179 9.090 1.512 1.00 0.00 C HETATM 1676 C4D HEB A 107 -9.267 8.259 2.249 1.00 0.00 C HETATM 1677 CMD HEB A 107 -10.121 10.366 -0.705 1.00 0.00 C HETATM 1678 CAD HEB A 107 -11.573 9.487 1.948 1.00 0.00 C HETATM 1679 CBD HEB A 107 -12.657 8.578 1.374 1.00 0.00 C HETATM 1680 CGD HEB A 107 -14.054 9.166 1.513 1.00 0.00 C HETATM 1681 O1D HEB A 107 -14.143 10.365 1.858 1.00 0.00 O HETATM 1682 O2D HEB A 107 -15.007 8.429 1.185 1.00 0.00 O HETATM 0 HMD3 HEB A 107 -9.528 11.277 -0.791 1.00 0.00 H new HETATM 0 HMD2 HEB A 107 -10.114 9.838 -1.659 1.00 0.00 H new HETATM 0 HMD1 HEB A 107 -11.146 10.624 -0.440 1.00 0.00 H new HETATM 0 HMC3 HEB A 107 -1.686 8.034 -0.977 1.00 0.00 H new HETATM 0 HMC2 HEB A 107 -2.338 6.695 -1.952 1.00 0.00 H new HETATM 0 HMC1 HEB A 107 -2.391 8.360 -2.578 1.00 0.00 H new HETATM 0 HMB3 HEB A 107 -3.124 3.735 5.754 1.00 0.00 H new HETATM 0 HMB2 HEB A 107 -3.791 2.486 4.676 1.00 0.00 H new HETATM 0 HMB1 HEB A 107 -2.104 3.021 4.483 1.00 0.00 H new HETATM 0 HMA3 HEB A 107 -8.146 4.950 7.873 1.00 0.00 H new HETATM 0 HMA2 HEB A 107 -8.881 3.705 6.835 1.00 0.00 H new HETATM 0 HMA1 HEB A 107 -7.110 3.855 6.927 1.00 0.00 H new HETATM 0 HBD2 HEB A 107 -12.449 8.393 0.320 1.00 0.00 H new HETATM 0 HBD1 HEB A 107 -12.622 7.613 1.880 1.00 0.00 H new HETATM 0 HBC2 HEB A 107 -4.899 9.894 -4.714 1.00 0.00 H new HETATM 0 HBC1 HEB A 107 -4.938 8.128 -4.048 1.00 0.00 H new HETATM 0 HBB3 HEB A 107 -1.539 2.496 2.307 1.00 0.00 H new HETATM 0 HBB2 HEB A 107 -1.886 3.213 0.716 1.00 0.00 H new HETATM 0 HBB1 HEB A 107 -0.215 3.165 1.325 1.00 0.00 H new HETATM 0 HBA2 HEB A 107 -11.487 6.072 4.500 1.00 0.00 H new HETATM 0 HBA1 HEB A 107 -12.217 5.585 6.017 1.00 0.00 H new HETATM 0 HAD2 HEB A 107 -11.627 9.466 3.036 1.00 0.00 H new HETATM 0 HAD1 HEB A 107 -11.766 10.514 1.639 1.00 0.00 H new HETATM 0 HAB2 HEB A 107 -1.149 5.413 1.562 1.00 0.00 H new HETATM 0 HAA2 HEB A 107 -10.321 6.021 7.162 1.00 0.00 H new HETATM 0 HAA1 HEB A 107 -10.255 7.657 6.537 1.00 0.00 H new HETATM 0 HHD HEB A 107 -7.431 9.811 -1.409 1.00 0.00 H new HETATM 0 HHC HEB A 107 -2.451 6.201 0.392 1.00 0.00 H new HETATM 0 HHB HEB A 107 -5.644 4.095 5.545 1.00 0.00 H new HETATM 0 HHA HEB A 107 -10.525 7.972 3.937 1.00 0.00 H new HETATM 0 HAC HEB A 107 -4.834 10.753 -2.432 1.00 0.00 H new HETATM 0 H2D HEB A 107 -15.851 8.843 1.463 1.00 0.00 H new CONECT 91 1640 CONECT 1487 1662 CONECT 1546 1640 CONECT 1640 91 1546 1645 1656 CONECT 1640 1664 1672 CONECT 1641 1646 1676 1683 CONECT 1642 1649 1657 1684 CONECT 1643 1660 1665 1685 CONECT 1644 1668 1673 1686 CONECT 1645 1640 1646 1649 CONECT 1646 1641 1645 1647 CONECT 1647 1646 1648 1651 CONECT 1648 1647 1649 1650 CONECT 1649 1642 1645 1648 CONECT 1650 1648 1687 1688 1689 CONECT 1651 1647 1652 1690 1691 CONECT 1652 1651 1653 1692 1693 CONECT 1653 1652 1654 1655 CONECT 1654 1653 CONECT 1655 1653 CONECT 1656 1640 1657 1660 CONECT 1657 1642 1656 1658 CONECT 1658 1657 1659 1661 CONECT 1659 1658 1660 1662 CONECT 1660 1643 1656 1659 CONECT 1661 1658 1694 1695 1696 CONECT 1662 1487 1659 1663 1697 CONECT 1663 1662 1698 1699 1700 CONECT 1664 1640 1665 1668 CONECT 1665 1643 1664 1666 CONECT 1666 1665 1667 1669 CONECT 1667 1666 1668 1670 CONECT 1668 1644 1664 1667 CONECT 1669 1666 1701 1702 1703 CONECT 1670 1667 1671 1704 CONECT 1671 1670 1705 1706 CONECT 1672 1640 1673 1676 CONECT 1673 1644 1672 1674 CONECT 1674 1673 1675 1677 CONECT 1675 1674 1676 1678 CONECT 1676 1641 1672 1675 CONECT 1677 1674 1707 1708 1709 CONECT 1678 1675 1679 1710 1711 CONECT 1679 1678 1680 1712 1713 CONECT 1680 1679 1681 1682 CONECT 1681 1680 CONECT 1682 1680 CONECT 1683 1641 CONECT 1684 1642 CONECT 1685 1643 CONECT 1686 1644 CONECT 1687 1650 CONECT 1688 1650 CONECT 1689 1650 CONECT 1690 1651 CONECT 1691 1651 CONECT 1692 1652 CONECT 1693 1652 CONECT 1694 1661 CONECT 1695 1661 CONECT 1696 1661 CONECT 1697 1662 CONECT 1698 1663 CONECT 1699 1663 CONECT 1700 1663 CONECT 1701 1669 CONECT 1702 1669 CONECT 1703 1669 CONECT 1704 1670 CONECT 1705 1671 CONECT 1706 1671 CONECT 1707 1677 CONECT 1708 1677 CONECT 1709 1677 CONECT 1710 1678 CONECT 1711 1678 CONECT 1712 1679 CONECT 1713 1679 END