USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 572 hydrogens (96 hets) HEADER OXYGEN STORAGE/TRANSPORT 29-JAN-02 1KWJ TITLE SOLUTION STRUCTURE DETERMINATION OF THE FULLY OXIDIZED TITLE 2 DOUBLE MUTANT K9-10A CYTOCHROME C7 FROM DESULFUROMONAS TITLE 3 ACETOXIDANS, MINIMIZED AVERAGE STRUCTURE CAVEAT 1KWJ CHIRALITY ERROR AT CA CENTER OF ALA A 1 COMPND MOL_ID: 1; COMPND 2 MOLECULE: CYTOCHROME C7; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: CYTOCHROME C3, CYTOCHROME C551.5; COMPND 5 ENGINEERED: YES; COMPND 6 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: DESULFUROMONAS ACETOXIDANS; SOURCE 3 ORGANISM_TAXID: 891; SOURCE 4 EXPRESSION_SYSTEM: DESULFOVIBRIO DESULFURICANS; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 876; SOURCE 6 EXPRESSION_SYSTEM_STRAIN: G201 KEYWDS AUTOMATIC ASSIGNMENT, CYTOCHROME C7, ELECTRON TRANSFER, KEYWDS 2 MULTIHEME CYTOCHROMES, NMR SOLUTION STRUCTURE, OXYGEN KEYWDS 3 STORAGE/TRANSPORT COMPLEX EXPDTA SOLUTION NMR AUTHOR M.ASSFALG,I.BERTINI,P.TURANO,M.BRUSCHI,M.C.DURAND, AUTHOR 2 M.T.GIUDICI-ORTICONI,A.DOLLA REVDAT 3 24-FEB-09 1KWJ 1 VERSN REVDAT 2 13-MAR-02 1KWJ 1 JRNL REMARK TITLE REVDAT 1 06-FEB-02 1KWJ 0 JRNL AUTH M.ASSFALG,I.BERTINI,P.TURANO,M.BRUSCHI,M.C.DURAND, JRNL AUTH 2 M.T.GIUDICI-ORTICONI,A.DOLLA JRNL TITL A QUICK SOLUTION STRUCTURE DETERMINATION OF THE JRNL TITL 2 FULLY OXIDIZED DOUBLE MUTANT K9-10A CYTOCHROME C7 JRNL TITL 3 FROM DESULFUROMONAS ACETOXIDANS AND MECHANISTIC JRNL TITL 4 IMPLICATIONS. JRNL REF J.BIOMOL.NMR V. 22 107 2002 JRNL REFN ISSN 0925-2738 JRNL PMID 11883773 JRNL DOI 10.1023/A:1014202405862 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : AMBER 5.0 REMARK 3 AUTHORS : KOLMAN, CASE REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1KWJ COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 30-JAN-02. REMARK 100 THE RCSB ID CODE IS RCSB015409. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 6.5 REMARK 210 IONIC STRENGTH : 100 MM PHOSPHATE REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 2MM CYTOCHROME C7, 100 MM REMARK 210 SODIUM PHOSPHATE BUFFER, PH 6.5 REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 800 MHZ REMARK 210 SPECTROMETER MODEL : AVANCE REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : PSEUDYANA 1.5 REMARK 210 METHOD USED : SIMULATED ANNEALING IN REMARK 210 TORSION ANGLE SPACE; REMARK 210 RESTRAINED ENERGY MINIMIZATION REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: 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 2 -133.56 -82.30 REMARK 500 THR A 14 93.29 63.53 REMARK 500 LYS A 18 -75.21 -67.02 REMARK 500 CYS A 26 -59.51 62.48 REMARK 500 GLU A 31 82.01 -66.35 REMARK 500 ASP A 47 -59.40 -148.84 REMARK 500 CYS A 49 -62.33 67.60 REMARK 500 ASN A 56 -168.67 -128.56 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CHIRAL CENTERS REMARK 500 REMARK 500 UNEXPECTED CONFIGURATION OF THE FOLLOWING CHIRAL REMARK 500 CENTER(S) USING IMPROPER CA--C--CB--N CHIRALITY REMARK 500 M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (11X,I3,1X,A3,1X,A1,I4,A1,6X,F5.1,6X,A1,10X,A1,3X,A16) REMARK 500 REMARK 500 M RES CSSEQI IMPROPER EXPECTED FOUND DETAILS REMARK 500 ALA A 1 123.0 ALPHA-CARBON REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 HEC A 130 FE REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS A 17 NE2 REMARK 620 2 HIS A 30 NE2 175.4 REMARK 620 N 1 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 HEC A 166 FE REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS A 45 NE2 REMARK 620 2 HIS A 66 NE2 177.3 REMARK 620 N 1 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 HEC A 153 FE REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS A 20 NE2 REMARK 620 2 HIS A 53 NE2 177.4 REMARK 620 N 1 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HEC A 130 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HEC A 153 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HEC A 166 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1EHJ RELATED DB: PDB REMARK 900 1EHJ CONTAINS THE ENERGY MINIMIZED AVERAGE SOLUTION REMARK 900 STRUCTURE OF THE FULLY REDUCED NATIVE CYTOCHROME C7 FROM REMARK 900 DESULFUROMONAS ACETOXIDANS REMARK 900 RELATED ID: 1F22 RELATED DB: PDB REMARK 900 1F22 CONTAINS THE 35 SOLUTION STRUCTURES FAMILY OF THE REMARK 900 FULLY REDUCED NATIVE CYTOCHROME C7 FROM DESULFUROMONAS REMARK 900 ACETOXIDANS REMARK 900 RELATED ID: 1NEW RELATED DB: PDB REMARK 900 1NEW CONTAINS 18 SOLUTION STRUCTURES OF THE FULLY OXIDIZED REMARK 900 NATIVE CYTOCHROME C7 FROM DESULFUROMONAS ACETOXIDANS REMARK 900 RELATED ID: 2NEW RELATED DB: PDB REMARK 900 2NEW CONTAINS 17 SOLUTION STRUCTURES OF THE FULLY OXIDIZED REMARK 900 NATIVE CYTOCHROME C7 FROM DESULFUROMONAS ACETOXIDANS REMARK 900 RELATED ID: 1HH5 RELATED DB: PDB REMARK 900 1HH5 CONTAINS THE X-RAY STRUCTURE OF THE FULLY OXIDIZED REMARK 900 NATIVE CYTOCHROME C7 FROM DESULFUROMONAS ACETOXIDANS REMARK 900 RELATED ID: 1L3O RELATED DB: PDB REMARK 900 CONTAINS THE RELATED 35 STRUCTURE ENSEMBLE DBREF 1KWJ A 1 68 UNP P00137 CYC3_DESAC 1 68 SEQADV 1KWJ ALA A 9 UNP P00137 LYS 9 ENGINEERED SEQADV 1KWJ ALA A 10 UNP P00137 LYS 10 ENGINEERED SEQRES 1 A 68 ALA ASP VAL VAL THR TYR GLU ASN ALA ALA GLY ASN VAL SEQRES 2 A 68 THR PHE ASP HIS LYS ALA HIS ALA GLU LYS LEU GLY CYS SEQRES 3 A 68 ASP ALA CYS HIS GLU GLY THR PRO ALA LYS ILE ALA ILE SEQRES 4 A 68 ASP LYS LYS SER ALA HIS LYS ASP ALA CYS LYS THR CYS SEQRES 5 A 68 HIS LYS SER ASN ASN GLY PRO THR LYS CYS GLY GLY CYS SEQRES 6 A 68 HIS ILE LYS HET HEC A 130 75 HET HEC A 153 75 HET HEC A 166 75 HETNAM HEC HEME C FORMUL 2 HEC 3(C34 H34 FE N4 O4) HELIX 1 1 HIS A 17 GLY A 25 1 9 HELIX 2 2 CYS A 26 HIS A 30 5 5 HELIX 3 3 LYS A 42 ASP A 47 1 6 HELIX 4 4 CYS A 49 ASN A 56 1 8 HELIX 5 5 LYS A 61 HIS A 66 1 6 SHEET 1 A 2 VAL A 3 VAL A 4 0 SHEET 2 A 2 PHE A 15 ASP A 16 -1 O PHE A 15 N VAL A 4 LINK NE2 HIS A 17 FE HEC A 130 1555 1555 1.98 LINK NE2 HIS A 30 FE HEC A 130 1555 1555 1.99 LINK NE2 HIS A 45 FE HEC A 166 1555 1555 1.98 LINK NE2 HIS A 66 FE HEC A 166 1555 1555 1.99 LINK NE2 HIS A 20 FE HEC A 153 1555 1555 1.99 LINK NE2 HIS A 53 FE HEC A 153 1555 1555 2.01 LINK SG CYS A 26 CAB HEC A 130 1555 1555 1.81 LINK SG CYS A 29 CAC HEC A 130 1555 1555 1.82 LINK SG CYS A 49 CAB HEC A 153 1555 1555 1.82 LINK SG CYS A 52 CAC HEC A 153 1555 1555 1.81 LINK SG CYS A 62 CAB HEC A 166 1555 1555 1.82 LINK SG CYS A 65 CAC HEC A 166 1555 1555 1.82 SITE *** AC1 14 ALA A 1 TYR A 6 HIS A 17 HIS A 20 SITE *** AC1 14 ALA A 21 CYS A 26 CYS A 29 HIS A 30 SITE *** AC1 14 PRO A 34 ALA A 35 LYS A 36 ILE A 37 SITE *** AC1 14 ILE A 39 HEC A 153 SITE *** AC2 9 VAL A 13 PHE A 15 HIS A 20 LYS A 23 SITE *** AC2 9 ALA A 28 CYS A 49 CYS A 52 HIS A 53 SITE *** AC2 9 HEC A 130 SITE *** AC3 11 ASN A 8 ALA A 9 ALA A 10 ASP A 40 SITE *** AC3 11 LYS A 41 ALA A 44 HIS A 45 CYS A 49 SITE *** AC3 11 CYS A 62 CYS A 65 HIS A 66 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 17 HIS HE2 : A 17 HIS NE2 : A 130 HECFE :(H bumps) USER MOD NoAdj-H: A 20 HIS HE2 : A 20 HIS NE2 : A 153 HECFE :(H bumps) USER MOD NoAdj-H: A 30 HIS HE2 : A 30 HIS NE2 : A 130 HECFE :(H bumps) USER MOD NoAdj-H: A 45 HIS HE2 : A 45 HIS NE2 : A 166 HECFE :(H bumps) USER MOD NoAdj-H: A 53 HIS HE2 : A 53 HIS NE2 : A 153 HECFE :(H bumps) USER MOD NoAdj-H: A 66 HIS HE2 : A 66 HIS NE2 : A 166 HECFE :(H bumps) USER MOD NoAdj-H: A 130 HEC HAC : A 130 HEC CAC : A 29 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 HEC HAB : A 130 HEC CAB : A 26 CYS SG :(H bumps) USER MOD NoAdj-H: A 153 HEC HAC : A 153 HEC CAC : A 52 CYS SG :(H bumps) USER MOD NoAdj-H: A 153 HEC HAB : A 153 HEC CAB : A 49 CYS SG :(H bumps) USER MOD NoAdj-H: A 166 HEC HAC : A 166 HEC CAC : A 65 CYS SG :(H bumps) USER MOD NoAdj-H: A 166 HEC HAB : A 166 HEC CAB : A 62 CYS SG :(H bumps) USER MOD Set 1.1: A 6 TYR OH : rot 180:sc= 1.11 USER MOD Set 1.2: A 130 HEC O2D : rot -94:sc= 1.25 USER MOD Set 2.1: A 23 LYS NZ :NH3+ 150:sc= -0.597! (180deg=-1.17!) USER MOD Set 2.2: A 153 HEC O2D : rot -130:sc= 0.723 USER MOD Set 3.1: A 5 THR OG1 : rot 180:sc= 1 USER MOD Set 3.2: A 14 THR OG1 : rot -43:sc= 1.18 USER MOD Set 4.1: A 1 ALA N :NH3+ -152:sc= 0.399 (180deg=0.622) USER MOD Set 4.2: A 130 HEC O2A : rot 83:sc= -0.511 USER MOD Single : A 8 ASN : amide:sc= 0.983 K(o=0.98,f=-4.9!) USER MOD Single : A 12 ASN : amide:sc= 1.07 K(o=1.1,f=-2.9!) USER MOD Single : A 18 LYS NZ :NH3+ 155:sc= 1.04 (180deg=0.36) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 156:sc= 0.901 (180deg=0.174) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 175:sc= 1.07 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 165:sc= 1.27 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot -29:sc= 0.477 USER MOD Single : A 56 ASN : amide:sc= 0.0749 X(o=0.075,f=-0.014) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -178:sc= -0.117! (180deg=-0.2!) USER MOD Single : A 153 HEC O2A : rot 179:sc= 0 USER MOD Single : A 166 HEC O2A : rot 167:sc= 0.992 USER MOD Single : A 166 HEC O2D : rot 172:sc= -0.0322 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -11.264 -6.880 -2.412 1.00 10.00 N ATOM 2 CA ALA A 1 -11.014 -8.340 -2.426 1.00 10.00 C ATOM 3 C ALA A 1 -9.902 -8.687 -1.430 1.00 10.00 C ATOM 4 O ALA A 1 -9.573 -7.823 -0.623 1.00 10.00 O ATOM 5 CB ALA A 1 -12.303 -9.102 -2.107 1.00 10.00 C ATOM 0 H1 ALA A 1 -12.252 -6.694 -2.678 1.00 10.00 H new ATOM 0 H2 ALA A 1 -11.087 -6.507 -1.458 1.00 10.00 H new ATOM 0 H3 ALA A 1 -10.629 -6.413 -3.090 1.00 10.00 H new ATOM 0 HA ALA A 1 -10.687 -8.640 -3.422 1.00 10.00 H new ATOM 0 HB1 ALA A 1 -12.105 -10.174 -2.121 1.00 10.00 H new ATOM 0 HB2 ALA A 1 -12.662 -8.812 -1.120 1.00 10.00 H new ATOM 0 HB3 ALA A 1 -13.061 -8.864 -2.853 1.00 10.00 H new ATOM 13 N ASP A 2 -9.328 -9.895 -1.489 1.00 10.00 N ATOM 14 CA ASP A 2 -8.149 -10.274 -0.713 1.00 10.00 C ATOM 15 C ASP A 2 -6.865 -9.781 -1.415 1.00 10.00 C ATOM 16 O ASP A 2 -6.806 -8.632 -1.832 1.00 10.00 O ATOM 17 CB ASP A 2 -8.204 -11.787 -0.448 1.00 10.00 C ATOM 18 CG ASP A 2 -9.477 -12.161 0.296 1.00 10.00 C ATOM 19 OD1 ASP A 2 -10.502 -12.313 -0.402 1.00 10.00 O ATOM 20 OD2 ASP A 2 -9.401 -12.269 1.540 1.00 10.00 O ATOM 0 H ASP A 2 -9.677 -10.644 -2.086 1.00 10.00 H new ATOM 0 HA ASP A 2 -8.136 -9.787 0.262 1.00 10.00 H new ATOM 0 HB2 ASP A 2 -8.158 -12.328 -1.393 1.00 10.00 H new ATOM 0 HB3 ASP A 2 -7.335 -12.090 0.135 1.00 10.00 H new ATOM 25 N VAL A 3 -5.821 -10.602 -1.558 1.00 10.00 N ATOM 26 CA VAL A 3 -4.545 -10.156 -2.129 1.00 10.00 C ATOM 27 C VAL A 3 -4.698 -9.688 -3.593 1.00 10.00 C ATOM 28 O VAL A 3 -5.020 -10.493 -4.464 1.00 10.00 O ATOM 29 CB VAL A 3 -3.485 -11.266 -1.992 1.00 10.00 C ATOM 30 CG1 VAL A 3 -2.122 -10.771 -2.493 1.00 10.00 C ATOM 31 CG2 VAL A 3 -3.321 -11.717 -0.532 1.00 10.00 C ATOM 0 H VAL A 3 -5.834 -11.585 -1.285 1.00 10.00 H new ATOM 0 HA VAL A 3 -4.207 -9.288 -1.563 1.00 10.00 H new ATOM 0 HB VAL A 3 -3.830 -12.108 -2.592 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -1.385 -11.567 -2.389 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -2.202 -10.485 -3.542 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -1.809 -9.908 -1.905 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -2.565 -12.500 -0.476 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -3.010 -10.869 0.078 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -4.271 -12.102 -0.161 1.00 10.00 H new ATOM 41 N VAL A 4 -4.454 -8.398 -3.870 1.00 10.00 N ATOM 42 CA VAL A 4 -4.528 -7.808 -5.218 1.00 10.00 C ATOM 43 C VAL A 4 -3.130 -7.405 -5.718 1.00 10.00 C ATOM 44 O VAL A 4 -2.451 -6.606 -5.082 1.00 10.00 O ATOM 45 CB VAL A 4 -5.483 -6.596 -5.237 1.00 10.00 C ATOM 46 CG1 VAL A 4 -5.576 -5.990 -6.644 1.00 10.00 C ATOM 47 CG2 VAL A 4 -6.902 -6.976 -4.799 1.00 10.00 C ATOM 0 H VAL A 4 -4.195 -7.722 -3.151 1.00 10.00 H new ATOM 0 HA VAL A 4 -4.926 -8.565 -5.894 1.00 10.00 H new ATOM 0 HB VAL A 4 -5.067 -5.873 -4.536 1.00 10.00 H new ATOM 0 HG11 VAL A 4 -6.255 -5.138 -6.629 1.00 10.00 H new ATOM 0 HG12 VAL A 4 -4.588 -5.661 -6.964 1.00 10.00 H new ATOM 0 HG13 VAL A 4 -5.951 -6.741 -7.339 1.00 10.00 H new ATOM 0 HG21 VAL A 4 -7.540 -6.093 -4.827 1.00 10.00 H new ATOM 0 HG22 VAL A 4 -7.300 -7.734 -5.474 1.00 10.00 H new ATOM 0 HG23 VAL A 4 -6.876 -7.372 -3.784 1.00 10.00 H new ATOM 57 N THR A 5 -2.699 -7.926 -6.871 1.00 10.00 N ATOM 58 CA THR A 5 -1.363 -7.689 -7.433 1.00 10.00 C ATOM 59 C THR A 5 -1.406 -6.738 -8.645 1.00 10.00 C ATOM 60 O THR A 5 -1.958 -7.070 -9.689 1.00 10.00 O ATOM 61 CB THR A 5 -0.694 -9.051 -7.705 1.00 10.00 C ATOM 62 OG1 THR A 5 -0.097 -9.501 -6.507 1.00 10.00 O ATOM 63 CG2 THR A 5 0.431 -9.017 -8.728 1.00 10.00 C ATOM 0 H THR A 5 -3.277 -8.534 -7.451 1.00 10.00 H new ATOM 0 HA THR A 5 -0.739 -7.159 -6.714 1.00 10.00 H new ATOM 0 HB THR A 5 -1.488 -9.691 -8.089 1.00 10.00 H new ATOM 0 HG1 THR A 5 0.333 -10.368 -6.661 1.00 10.00 H new ATOM 0 HG21 THR A 5 0.840 -10.020 -8.853 1.00 10.00 H new ATOM 0 HG22 THR A 5 0.044 -8.662 -9.683 1.00 10.00 H new ATOM 0 HG23 THR A 5 1.217 -8.345 -8.382 1.00 10.00 H new ATOM 71 N TYR A 6 -0.827 -5.537 -8.493 1.00 10.00 N ATOM 72 CA TYR A 6 -0.779 -4.486 -9.518 1.00 10.00 C ATOM 73 C TYR A 6 0.371 -4.685 -10.515 1.00 10.00 C ATOM 74 O TYR A 6 1.506 -4.266 -10.275 1.00 10.00 O ATOM 75 CB TYR A 6 -0.658 -3.112 -8.844 1.00 10.00 C ATOM 76 CG TYR A 6 -1.964 -2.372 -8.634 1.00 10.00 C ATOM 77 CD1 TYR A 6 -3.081 -3.031 -8.088 1.00 10.00 C ATOM 78 CD2 TYR A 6 -2.029 -0.994 -8.903 1.00 10.00 C ATOM 79 CE1 TYR A 6 -4.232 -2.295 -7.742 1.00 10.00 C ATOM 80 CE2 TYR A 6 -3.186 -0.267 -8.585 1.00 10.00 C ATOM 81 CZ TYR A 6 -4.286 -0.914 -8.004 1.00 10.00 C ATOM 82 OH TYR A 6 -5.342 -0.161 -7.600 1.00 10.00 O ATOM 0 H TYR A 6 -0.365 -5.263 -7.626 1.00 10.00 H new ATOM 0 HA TYR A 6 -1.707 -4.544 -10.087 1.00 10.00 H new ATOM 0 HB2 TYR A 6 -0.175 -3.243 -7.876 1.00 10.00 H new ATOM 0 HB3 TYR A 6 0.001 -2.487 -9.447 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -3.056 -4.100 -7.934 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -1.186 -0.493 -9.356 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -5.071 -2.790 -7.276 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -3.229 0.793 -8.788 1.00 10.00 H new ATOM 0 HH TYR A 6 -5.202 0.771 -7.870 1.00 10.00 H new ATOM 92 N GLU A 7 0.069 -5.296 -11.656 1.00 10.00 N ATOM 93 CA GLU A 7 1.058 -5.658 -12.662 1.00 10.00 C ATOM 94 C GLU A 7 1.438 -4.485 -13.575 1.00 10.00 C ATOM 95 O GLU A 7 0.914 -4.320 -14.674 1.00 10.00 O ATOM 96 CB GLU A 7 0.588 -6.934 -13.363 1.00 10.00 C ATOM 97 CG GLU A 7 0.257 -7.956 -12.264 1.00 10.00 C ATOM 98 CD GLU A 7 0.588 -9.391 -12.631 1.00 10.00 C ATOM 99 OE1 GLU A 7 -0.102 -9.939 -13.513 1.00 10.00 O ATOM 100 OE2 GLU A 7 1.543 -9.899 -12.000 1.00 10.00 O ATOM 0 H GLU A 7 -0.884 -5.557 -11.910 1.00 10.00 H new ATOM 0 HA GLU A 7 2.014 -5.890 -12.193 1.00 10.00 H new ATOM 0 HB2 GLU A 7 -0.288 -6.734 -13.980 1.00 10.00 H new ATOM 0 HB3 GLU A 7 1.364 -7.318 -14.025 1.00 10.00 H new ATOM 0 HG2 GLU A 7 0.802 -7.689 -11.359 1.00 10.00 H new ATOM 0 HG3 GLU A 7 -0.805 -7.888 -12.028 1.00 10.00 H new ATOM 107 N ASN A 8 2.381 -3.679 -13.078 1.00 10.00 N ATOM 108 CA ASN A 8 2.973 -2.521 -13.737 1.00 10.00 C ATOM 109 C ASN A 8 4.356 -2.863 -14.305 1.00 10.00 C ATOM 110 O ASN A 8 4.928 -3.911 -14.002 1.00 10.00 O ATOM 111 CB ASN A 8 3.075 -1.381 -12.717 1.00 10.00 C ATOM 112 CG ASN A 8 4.062 -1.716 -11.602 1.00 10.00 C ATOM 113 OD1 ASN A 8 5.232 -1.355 -11.661 1.00 10.00 O ATOM 114 ND2 ASN A 8 3.641 -2.465 -10.592 1.00 10.00 N ATOM 0 H ASN A 8 2.772 -3.831 -12.148 1.00 10.00 H new ATOM 0 HA ASN A 8 2.344 -2.215 -14.573 1.00 10.00 H new ATOM 0 HB2 ASN A 8 3.390 -0.467 -13.221 1.00 10.00 H new ATOM 0 HB3 ASN A 8 2.092 -1.186 -12.288 1.00 10.00 H new ATOM 0 HD21 ASN A 8 4.292 -2.744 -9.858 1.00 10.00 H new ATOM 0 HD22 ASN A 8 2.666 -2.762 -10.549 1.00 10.00 H new ATOM 121 N ALA A 9 4.922 -1.958 -15.100 1.00 10.00 N ATOM 122 CA ALA A 9 6.183 -2.201 -15.792 1.00 10.00 C ATOM 123 C ALA A 9 7.384 -2.338 -14.848 1.00 10.00 C ATOM 124 O ALA A 9 8.361 -3.002 -15.186 1.00 10.00 O ATOM 125 CB ALA A 9 6.429 -1.069 -16.786 1.00 10.00 C ATOM 0 H ALA A 9 4.520 -1.038 -15.282 1.00 10.00 H new ATOM 0 HA ALA A 9 6.090 -3.158 -16.305 1.00 10.00 H new ATOM 0 HB1 ALA A 9 7.370 -1.242 -17.309 1.00 10.00 H new ATOM 0 HB2 ALA A 9 5.613 -1.036 -17.508 1.00 10.00 H new ATOM 0 HB3 ALA A 9 6.480 -0.120 -16.252 1.00 10.00 H new ATOM 131 N ALA A 10 7.337 -1.697 -13.675 1.00 10.00 N ATOM 132 CA ALA A 10 8.494 -1.576 -12.792 1.00 10.00 C ATOM 133 C ALA A 10 8.578 -2.687 -11.737 1.00 10.00 C ATOM 134 O ALA A 10 9.299 -2.527 -10.755 1.00 10.00 O ATOM 135 CB ALA A 10 8.454 -0.192 -12.140 1.00 10.00 C ATOM 0 H ALA A 10 6.495 -1.249 -13.314 1.00 10.00 H new ATOM 0 HA ALA A 10 9.396 -1.691 -13.393 1.00 10.00 H new ATOM 0 HB1 ALA A 10 9.310 -0.078 -11.475 1.00 10.00 H new ATOM 0 HB2 ALA A 10 8.491 0.576 -12.913 1.00 10.00 H new ATOM 0 HB3 ALA A 10 7.533 -0.086 -11.567 1.00 10.00 H new ATOM 141 N GLY A 11 7.851 -3.797 -11.919 1.00 10.00 N ATOM 142 CA GLY A 11 7.732 -4.851 -10.906 1.00 10.00 C ATOM 143 C GLY A 11 6.355 -4.810 -10.257 1.00 10.00 C ATOM 144 O GLY A 11 5.935 -3.759 -9.772 1.00 10.00 O ATOM 0 H GLY A 11 7.329 -3.989 -12.774 1.00 10.00 H new ATOM 0 HA2 GLY A 11 7.896 -5.826 -11.365 1.00 10.00 H new ATOM 0 HA3 GLY A 11 8.503 -4.723 -10.146 1.00 10.00 H new ATOM 148 N ASN A 12 5.641 -5.935 -10.216 1.00 10.00 N ATOM 149 CA ASN A 12 4.360 -5.968 -9.521 1.00 10.00 C ATOM 150 C ASN A 12 4.567 -5.830 -8.003 1.00 10.00 C ATOM 151 O ASN A 12 5.689 -5.961 -7.514 1.00 10.00 O ATOM 152 CB ASN A 12 3.490 -7.150 -9.973 1.00 10.00 C ATOM 153 CG ASN A 12 4.054 -8.525 -9.631 1.00 10.00 C ATOM 154 OD1 ASN A 12 5.022 -8.641 -8.897 1.00 10.00 O ATOM 155 ND2 ASN A 12 3.490 -9.594 -10.174 1.00 10.00 N ATOM 0 H ASN A 12 5.922 -6.816 -10.646 1.00 10.00 H new ATOM 0 HA ASN A 12 3.769 -5.098 -9.807 1.00 10.00 H new ATOM 0 HB2 ASN A 12 2.505 -7.053 -9.517 1.00 10.00 H new ATOM 0 HB3 ASN A 12 3.350 -7.088 -11.052 1.00 10.00 H new ATOM 0 HD21 ASN A 12 3.865 -10.523 -9.980 1.00 10.00 H new ATOM 0 HD22 ASN A 12 2.681 -9.488 -10.786 1.00 10.00 H new ATOM 162 N VAL A 13 3.508 -5.436 -7.289 1.00 10.00 N ATOM 163 CA VAL A 13 3.650 -4.753 -5.998 1.00 10.00 C ATOM 164 C VAL A 13 2.852 -5.366 -4.833 1.00 10.00 C ATOM 165 O VAL A 13 3.261 -5.226 -3.684 1.00 10.00 O ATOM 166 CB VAL A 13 3.436 -3.242 -6.195 1.00 10.00 C ATOM 167 CG1 VAL A 13 2.127 -2.940 -6.916 1.00 10.00 C ATOM 168 CG2 VAL A 13 3.445 -2.487 -4.866 1.00 10.00 C ATOM 0 H VAL A 13 2.542 -5.578 -7.583 1.00 10.00 H new ATOM 0 HA VAL A 13 4.673 -4.913 -5.658 1.00 10.00 H new ATOM 0 HB VAL A 13 4.271 -2.903 -6.809 1.00 10.00 H new ATOM 0 HG11 VAL A 13 2.017 -1.862 -7.034 1.00 10.00 H new ATOM 0 HG12 VAL A 13 2.135 -3.413 -7.898 1.00 10.00 H new ATOM 0 HG13 VAL A 13 1.292 -3.329 -6.333 1.00 10.00 H new ATOM 0 HG21 VAL A 13 3.291 -1.424 -5.050 1.00 10.00 H new ATOM 0 HG22 VAL A 13 2.646 -2.864 -4.228 1.00 10.00 H new ATOM 0 HG23 VAL A 13 4.405 -2.634 -4.371 1.00 10.00 H new ATOM 178 N THR A 14 1.738 -6.057 -5.104 1.00 10.00 N ATOM 179 CA THR A 14 1.026 -6.863 -4.106 1.00 10.00 C ATOM 180 C THR A 14 0.451 -6.044 -2.938 1.00 10.00 C ATOM 181 O THR A 14 1.092 -5.786 -1.923 1.00 10.00 O ATOM 182 CB THR A 14 1.874 -8.077 -3.688 1.00 10.00 C ATOM 183 OG1 THR A 14 1.922 -8.963 -4.791 1.00 10.00 O ATOM 184 CG2 THR A 14 1.279 -8.855 -2.515 1.00 10.00 C ATOM 0 H THR A 14 1.303 -6.072 -6.027 1.00 10.00 H new ATOM 0 HA THR A 14 0.129 -7.260 -4.581 1.00 10.00 H new ATOM 0 HB THR A 14 2.852 -7.704 -3.383 1.00 10.00 H new ATOM 0 HG1 THR A 14 1.031 -9.032 -5.194 1.00 10.00 H new ATOM 0 HG21 THR A 14 1.926 -9.698 -2.272 1.00 10.00 H new ATOM 0 HG22 THR A 14 1.196 -8.199 -1.648 1.00 10.00 H new ATOM 0 HG23 THR A 14 0.290 -9.224 -2.787 1.00 10.00 H new ATOM 192 N PHE A 15 -0.813 -5.652 -3.095 1.00 10.00 N ATOM 193 CA PHE A 15 -1.664 -5.101 -2.049 1.00 10.00 C ATOM 194 C PHE A 15 -2.258 -6.276 -1.255 1.00 10.00 C ATOM 195 O PHE A 15 -3.236 -6.880 -1.710 1.00 10.00 O ATOM 196 CB PHE A 15 -2.820 -4.305 -2.692 1.00 10.00 C ATOM 197 CG PHE A 15 -2.535 -3.036 -3.475 1.00 10.00 C ATOM 198 CD1 PHE A 15 -1.264 -2.748 -4.010 1.00 10.00 C ATOM 199 CD2 PHE A 15 -3.634 -2.234 -3.840 1.00 10.00 C ATOM 200 CE1 PHE A 15 -1.109 -1.707 -4.938 1.00 10.00 C ATOM 201 CE2 PHE A 15 -3.469 -1.163 -4.733 1.00 10.00 C ATOM 202 CZ PHE A 15 -2.208 -0.911 -5.295 1.00 10.00 C ATOM 0 H PHE A 15 -1.289 -5.714 -3.995 1.00 10.00 H new ATOM 0 HA PHE A 15 -1.086 -4.443 -1.400 1.00 10.00 H new ATOM 0 HB2 PHE A 15 -3.347 -4.985 -3.361 1.00 10.00 H new ATOM 0 HB3 PHE A 15 -3.514 -4.042 -1.894 1.00 10.00 H new ATOM 0 HD1 PHE A 15 -0.407 -3.330 -3.705 1.00 10.00 H new ATOM 0 HD2 PHE A 15 -4.611 -2.444 -3.430 1.00 10.00 H new ATOM 0 HE1 PHE A 15 -0.141 -1.518 -5.379 1.00 10.00 H new ATOM 0 HE2 PHE A 15 -4.310 -0.535 -4.987 1.00 10.00 H new ATOM 0 HZ PHE A 15 -2.083 -0.104 -6.002 1.00 10.00 H new ATOM 212 N ASP A 16 -1.724 -6.606 -0.072 1.00 10.00 N ATOM 213 CA ASP A 16 -2.265 -7.696 0.732 1.00 10.00 C ATOM 214 C ASP A 16 -3.487 -7.170 1.481 1.00 10.00 C ATOM 215 O ASP A 16 -3.476 -6.995 2.697 1.00 10.00 O ATOM 216 CB ASP A 16 -1.210 -8.309 1.666 1.00 10.00 C ATOM 217 CG ASP A 16 0.206 -8.094 1.197 1.00 10.00 C ATOM 218 OD1 ASP A 16 0.617 -6.923 1.337 1.00 10.00 O ATOM 219 OD2 ASP A 16 0.822 -9.075 0.737 1.00 10.00 O ATOM 0 H ASP A 16 -0.922 -6.133 0.343 1.00 10.00 H new ATOM 0 HA ASP A 16 -2.570 -8.517 0.083 1.00 10.00 H new ATOM 0 HB2 ASP A 16 -1.324 -7.879 2.661 1.00 10.00 H new ATOM 0 HB3 ASP A 16 -1.395 -9.379 1.758 1.00 10.00 H new ATOM 224 N HIS A 17 -4.547 -6.893 0.724 1.00 10.00 N ATOM 225 CA HIS A 17 -5.780 -6.293 1.210 1.00 10.00 C ATOM 226 C HIS A 17 -6.242 -6.998 2.486 1.00 10.00 C ATOM 227 O HIS A 17 -6.594 -6.365 3.479 1.00 10.00 O ATOM 228 CB HIS A 17 -6.816 -6.433 0.096 1.00 10.00 C ATOM 229 CG HIS A 17 -7.787 -5.301 -0.032 1.00 10.00 C ATOM 230 ND1 HIS A 17 -8.318 -4.862 -1.215 1.00 10.00 N ATOM 231 CD2 HIS A 17 -8.121 -4.402 0.936 1.00 10.00 C ATOM 232 CE1 HIS A 17 -8.945 -3.706 -0.959 1.00 10.00 C ATOM 233 NE2 HIS A 17 -8.827 -3.355 0.337 1.00 10.00 N ATOM 0 H HIS A 17 -4.568 -7.088 -0.277 1.00 10.00 H new ATOM 0 HA HIS A 17 -5.635 -5.242 1.459 1.00 10.00 H new ATOM 0 HB2 HIS A 17 -6.290 -6.546 -0.852 1.00 10.00 H new ATOM 0 HB3 HIS A 17 -7.378 -7.353 0.260 1.00 10.00 H new ATOM 0 HD1 HIS A 17 -8.249 -5.327 -2.120 1.00 10.00 H new ATOM 0 HD2 HIS A 17 -7.881 -4.484 1.986 1.00 10.00 H new ATOM 0 HE1 HIS A 17 -9.478 -3.128 -1.699 1.00 10.00 H new ATOM 241 N LYS A 18 -6.140 -8.329 2.443 1.00 10.00 N ATOM 242 CA LYS A 18 -6.224 -9.198 3.599 1.00 10.00 C ATOM 243 C LYS A 18 -5.039 -9.019 4.564 1.00 10.00 C ATOM 244 O LYS A 18 -5.214 -8.450 5.633 1.00 10.00 O ATOM 245 CB LYS A 18 -6.369 -10.648 3.122 1.00 10.00 C ATOM 246 CG LYS A 18 -6.895 -11.493 4.284 1.00 10.00 C ATOM 247 CD LYS A 18 -7.054 -12.965 3.882 1.00 10.00 C ATOM 248 CE LYS A 18 -7.726 -13.798 4.982 1.00 10.00 C ATOM 249 NZ LYS A 18 -8.914 -13.117 5.535 1.00 10.00 N ATOM 0 H LYS A 18 -5.992 -8.838 1.572 1.00 10.00 H new ATOM 0 HA LYS A 18 -7.105 -8.922 4.178 1.00 10.00 H new ATOM 0 HB2 LYS A 18 -7.053 -10.701 2.275 1.00 10.00 H new ATOM 0 HB3 LYS A 18 -5.408 -11.032 2.780 1.00 10.00 H new ATOM 0 HG2 LYS A 18 -6.211 -11.417 5.129 1.00 10.00 H new ATOM 0 HG3 LYS A 18 -7.856 -11.099 4.616 1.00 10.00 H new ATOM 0 HD2 LYS A 18 -7.645 -13.028 2.969 1.00 10.00 H new ATOM 0 HD3 LYS A 18 -6.074 -13.386 3.657 1.00 10.00 H new ATOM 0 HE2 LYS A 18 -8.018 -14.767 4.577 1.00 10.00 H new ATOM 0 HE3 LYS A 18 -7.011 -13.989 5.782 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 -9.565 -13.823 5.933 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 -8.619 -12.457 6.283 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 -9.395 -12.590 4.779 1.00 10.00 H new ATOM 263 N ALA A 19 -3.842 -9.529 4.244 1.00 10.00 N ATOM 264 CA ALA A 19 -2.767 -9.707 5.227 1.00 10.00 C ATOM 265 C ALA A 19 -2.388 -8.417 5.963 1.00 10.00 C ATOM 266 O ALA A 19 -2.175 -8.435 7.175 1.00 10.00 O ATOM 267 CB ALA A 19 -1.533 -10.324 4.569 1.00 10.00 C ATOM 0 H ALA A 19 -3.593 -9.828 3.301 1.00 10.00 H new ATOM 0 HA ALA A 19 -3.159 -10.388 5.982 1.00 10.00 H new ATOM 0 HB1 ALA A 19 -0.747 -10.448 5.314 1.00 10.00 H new ATOM 0 HB2 ALA A 19 -1.792 -11.296 4.150 1.00 10.00 H new ATOM 0 HB3 ALA A 19 -1.179 -9.668 3.774 1.00 10.00 H new ATOM 273 N HIS A 20 -2.341 -7.289 5.246 1.00 10.00 N ATOM 274 CA HIS A 20 -2.211 -5.988 5.884 1.00 10.00 C ATOM 275 C HIS A 20 -3.355 -5.785 6.897 1.00 10.00 C ATOM 276 O HIS A 20 -3.099 -5.526 8.068 1.00 10.00 O ATOM 277 CB HIS A 20 -2.146 -4.857 4.841 1.00 10.00 C ATOM 278 CG HIS A 20 -0.773 -4.537 4.284 1.00 10.00 C ATOM 279 ND1 HIS A 20 -0.062 -5.282 3.371 1.00 10.00 N ATOM 280 CD2 HIS A 20 -0.064 -3.374 4.485 1.00 10.00 C ATOM 281 CE1 HIS A 20 1.043 -4.593 3.062 1.00 10.00 C ATOM 282 NE2 HIS A 20 1.102 -3.416 3.703 1.00 10.00 N ATOM 0 H HIS A 20 -2.391 -7.257 4.228 1.00 10.00 H new ATOM 0 HA HIS A 20 -1.269 -5.954 6.431 1.00 10.00 H new ATOM 0 HB2 HIS A 20 -2.800 -5.120 4.010 1.00 10.00 H new ATOM 0 HB3 HIS A 20 -2.552 -3.952 5.292 1.00 10.00 H new ATOM 0 HD1 HIS A 20 -0.329 -6.193 2.998 1.00 10.00 H new ATOM 0 HD2 HIS A 20 -0.356 -2.563 5.136 1.00 10.00 H new ATOM 0 HE1 HIS A 20 1.800 -4.944 2.376 1.00 10.00 H new ATOM 290 N ALA A 21 -4.617 -5.949 6.486 1.00 10.00 N ATOM 291 CA ALA A 21 -5.777 -5.843 7.374 1.00 10.00 C ATOM 292 C ALA A 21 -5.749 -6.799 8.574 1.00 10.00 C ATOM 293 O ALA A 21 -6.140 -6.400 9.667 1.00 10.00 O ATOM 294 CB ALA A 21 -7.069 -6.054 6.593 1.00 10.00 C ATOM 0 H ALA A 21 -4.863 -6.161 5.519 1.00 10.00 H new ATOM 0 HA ALA A 21 -5.732 -4.833 7.782 1.00 10.00 H new ATOM 0 HB1 ALA A 21 -7.920 -5.972 7.269 1.00 10.00 H new ATOM 0 HB2 ALA A 21 -7.150 -5.297 5.813 1.00 10.00 H new ATOM 0 HB3 ALA A 21 -7.061 -7.044 6.138 1.00 10.00 H new ATOM 300 N GLU A 22 -5.288 -8.041 8.403 1.00 10.00 N ATOM 301 CA GLU A 22 -5.172 -8.997 9.507 1.00 10.00 C ATOM 302 C GLU A 22 -4.345 -8.416 10.684 1.00 10.00 C ATOM 303 O GLU A 22 -4.580 -8.769 11.837 1.00 10.00 O ATOM 304 CB GLU A 22 -4.613 -10.338 8.995 1.00 10.00 C ATOM 305 CG GLU A 22 -5.422 -11.005 7.855 1.00 10.00 C ATOM 306 CD GLU A 22 -6.777 -11.604 8.222 1.00 10.00 C ATOM 307 OE1 GLU A 22 -6.926 -12.055 9.374 1.00 10.00 O ATOM 308 OE2 GLU A 22 -7.630 -11.667 7.302 1.00 10.00 O ATOM 0 H GLU A 22 -4.986 -8.410 7.501 1.00 10.00 H new ATOM 0 HA GLU A 22 -6.168 -9.188 9.906 1.00 10.00 H new ATOM 0 HB2 GLU A 22 -3.593 -10.177 8.647 1.00 10.00 H new ATOM 0 HB3 GLU A 22 -4.558 -11.033 9.833 1.00 10.00 H new ATOM 0 HG2 GLU A 22 -5.581 -10.262 7.074 1.00 10.00 H new ATOM 0 HG3 GLU A 22 -4.809 -11.796 7.423 1.00 10.00 H new ATOM 315 N LYS A 23 -3.413 -7.489 10.406 1.00 10.00 N ATOM 316 CA LYS A 23 -2.760 -6.638 11.410 1.00 10.00 C ATOM 317 C LYS A 23 -3.514 -5.311 11.653 1.00 10.00 C ATOM 318 O LYS A 23 -3.741 -4.916 12.793 1.00 10.00 O ATOM 319 CB LYS A 23 -1.315 -6.346 10.960 1.00 10.00 C ATOM 320 CG LYS A 23 -0.324 -7.402 11.466 1.00 10.00 C ATOM 321 CD LYS A 23 1.074 -7.149 10.878 1.00 10.00 C ATOM 322 CE LYS A 23 2.127 -8.008 11.593 1.00 10.00 C ATOM 323 NZ LYS A 23 3.418 -8.011 10.871 1.00 10.00 N ATOM 0 H LYS A 23 -3.087 -7.308 9.457 1.00 10.00 H new ATOM 0 HA LYS A 23 -2.766 -7.180 12.356 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -1.277 -6.307 9.871 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -1.014 -5.364 11.325 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -0.278 -7.375 12.555 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -0.669 -8.397 11.186 1.00 10.00 H new ATOM 0 HD2 LYS A 23 1.073 -7.378 9.812 1.00 10.00 H new ATOM 0 HD3 LYS A 23 1.330 -6.094 10.977 1.00 10.00 H new ATOM 0 HE2 LYS A 23 2.277 -7.631 12.605 1.00 10.00 H new ATOM 0 HE3 LYS A 23 1.760 -9.030 11.685 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 4.196 -8.131 11.551 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 3.432 -8.795 10.187 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 3.536 -7.109 10.366 1.00 10.00 H new ATOM 337 N LEU A 24 -3.826 -4.584 10.578 1.00 10.00 N ATOM 338 CA LEU A 24 -4.158 -3.157 10.569 1.00 10.00 C ATOM 339 C LEU A 24 -5.665 -2.832 10.667 1.00 10.00 C ATOM 340 O LEU A 24 -6.036 -1.679 10.865 1.00 10.00 O ATOM 341 CB LEU A 24 -3.543 -2.552 9.301 1.00 10.00 C ATOM 342 CG LEU A 24 -2.017 -2.700 9.168 1.00 10.00 C ATOM 343 CD1 LEU A 24 -1.598 -2.076 7.835 1.00 10.00 C ATOM 344 CD2 LEU A 24 -1.267 -1.997 10.305 1.00 10.00 C ATOM 0 H LEU A 24 -3.856 -4.994 9.645 1.00 10.00 H new ATOM 0 HA LEU A 24 -3.742 -2.716 11.475 1.00 10.00 H new ATOM 0 HB2 LEU A 24 -4.012 -3.016 8.434 1.00 10.00 H new ATOM 0 HB3 LEU A 24 -3.792 -1.491 9.268 1.00 10.00 H new ATOM 0 HG LEU A 24 -1.765 -3.760 9.215 1.00 10.00 H new ATOM 0 HD11 LEU A 24 -0.519 -2.167 7.714 1.00 10.00 H new ATOM 0 HD12 LEU A 24 -2.100 -2.594 7.017 1.00 10.00 H new ATOM 0 HD13 LEU A 24 -1.877 -1.022 7.823 1.00 10.00 H new ATOM 0 HD21 LEU A 24 -0.194 -2.129 10.169 1.00 10.00 H new ATOM 0 HD22 LEU A 24 -1.506 -0.934 10.296 1.00 10.00 H new ATOM 0 HD23 LEU A 24 -1.567 -2.428 11.260 1.00 10.00 H new ATOM 356 N GLY A 25 -6.547 -3.823 10.530 1.00 10.00 N ATOM 357 CA GLY A 25 -7.973 -3.702 10.835 1.00 10.00 C ATOM 358 C GLY A 25 -8.769 -2.698 9.997 1.00 10.00 C ATOM 359 O GLY A 25 -9.610 -1.993 10.541 1.00 10.00 O ATOM 0 H GLY A 25 -6.285 -4.751 10.197 1.00 10.00 H new ATOM 0 HA2 GLY A 25 -8.431 -4.684 10.717 1.00 10.00 H new ATOM 0 HA3 GLY A 25 -8.075 -3.427 11.885 1.00 10.00 H new ATOM 363 N CYS A 26 -8.528 -2.672 8.681 1.00 10.00 N ATOM 364 CA CYS A 26 -9.184 -1.842 7.658 1.00 10.00 C ATOM 365 C CYS A 26 -8.984 -0.331 7.852 1.00 10.00 C ATOM 366 O CYS A 26 -8.451 0.333 6.963 1.00 10.00 O ATOM 367 CB CYS A 26 -10.655 -2.148 7.511 1.00 10.00 C ATOM 368 SG CYS A 26 -11.097 -3.910 7.378 1.00 10.00 S ATOM 0 H CYS A 26 -7.816 -3.276 8.270 1.00 10.00 H new ATOM 0 HA CYS A 26 -8.676 -2.119 6.734 1.00 10.00 H new ATOM 0 HB2 CYS A 26 -11.181 -1.726 8.368 1.00 10.00 H new ATOM 0 HB3 CYS A 26 -11.026 -1.633 6.625 1.00 10.00 H new ATOM 373 N ASP A 27 -9.420 0.206 8.995 1.00 10.00 N ATOM 374 CA ASP A 27 -9.431 1.609 9.384 1.00 10.00 C ATOM 375 C ASP A 27 -8.106 2.290 9.037 1.00 10.00 C ATOM 376 O ASP A 27 -8.072 3.371 8.453 1.00 10.00 O ATOM 377 CB ASP A 27 -9.720 1.688 10.892 1.00 10.00 C ATOM 378 CG ASP A 27 -11.126 1.253 11.285 1.00 10.00 C ATOM 379 OD1 ASP A 27 -11.837 0.704 10.416 1.00 10.00 O ATOM 380 OD2 ASP A 27 -11.462 1.489 12.465 1.00 10.00 O ATOM 0 H ASP A 27 -9.806 -0.385 9.731 1.00 10.00 H new ATOM 0 HA ASP A 27 -10.208 2.138 8.832 1.00 10.00 H new ATOM 0 HB2 ASP A 27 -8.999 1.066 11.421 1.00 10.00 H new ATOM 0 HB3 ASP A 27 -9.563 2.713 11.227 1.00 10.00 H new ATOM 385 N ALA A 28 -7.010 1.589 9.337 1.00 10.00 N ATOM 386 CA ALA A 28 -5.643 1.951 8.979 1.00 10.00 C ATOM 387 C ALA A 28 -5.455 2.502 7.552 1.00 10.00 C ATOM 388 O ALA A 28 -4.570 3.325 7.327 1.00 10.00 O ATOM 389 CB ALA A 28 -4.808 0.693 9.153 1.00 10.00 C ATOM 0 H ALA A 28 -7.057 0.714 9.860 1.00 10.00 H new ATOM 0 HA ALA A 28 -5.339 2.773 9.627 1.00 10.00 H new ATOM 0 HB1 ALA A 28 -3.770 0.907 8.897 1.00 10.00 H new ATOM 0 HB2 ALA A 28 -4.865 0.359 10.189 1.00 10.00 H new ATOM 0 HB3 ALA A 28 -5.189 -0.090 8.498 1.00 10.00 H new ATOM 395 N CYS A 29 -6.252 2.026 6.589 1.00 10.00 N ATOM 396 CA CYS A 29 -6.215 2.447 5.188 1.00 10.00 C ATOM 397 C CYS A 29 -7.511 3.154 4.751 1.00 10.00 C ATOM 398 O CYS A 29 -7.655 3.514 3.585 1.00 10.00 O ATOM 399 CB CYS A 29 -6.013 1.226 4.332 1.00 10.00 C ATOM 400 SG CYS A 29 -4.364 0.459 4.516 1.00 10.00 S ATOM 0 H CYS A 29 -6.961 1.316 6.771 1.00 10.00 H new ATOM 0 HA CYS A 29 -5.399 3.160 5.071 1.00 10.00 H new ATOM 0 HB2 CYS A 29 -6.776 0.489 4.582 1.00 10.00 H new ATOM 0 HB3 CYS A 29 -6.162 1.498 3.287 1.00 10.00 H new ATOM 405 N HIS A 30 -8.487 3.314 5.648 1.00 10.00 N ATOM 406 CA HIS A 30 -9.862 3.608 5.279 1.00 10.00 C ATOM 407 C HIS A 30 -10.603 4.359 6.390 1.00 10.00 C ATOM 408 O HIS A 30 -11.103 3.745 7.327 1.00 10.00 O ATOM 409 CB HIS A 30 -10.554 2.273 4.968 1.00 10.00 C ATOM 410 CG HIS A 30 -10.175 1.621 3.672 1.00 10.00 C ATOM 411 ND1 HIS A 30 -10.146 2.213 2.439 1.00 10.00 N ATOM 412 CD2 HIS A 30 -9.966 0.290 3.486 1.00 10.00 C ATOM 413 CE1 HIS A 30 -9.894 1.251 1.526 1.00 10.00 C ATOM 414 NE2 HIS A 30 -9.776 0.051 2.114 1.00 10.00 N ATOM 0 H HIS A 30 -8.338 3.242 6.655 1.00 10.00 H new ATOM 0 HA HIS A 30 -9.875 4.261 4.407 1.00 10.00 H new ATOM 0 HB2 HIS A 30 -10.338 1.577 5.779 1.00 10.00 H new ATOM 0 HB3 HIS A 30 -11.632 2.437 4.968 1.00 10.00 H new ATOM 0 HD1 HIS A 30 -10.289 3.204 2.244 1.00 10.00 H new ATOM 0 HD2 HIS A 30 -9.949 -0.459 4.264 1.00 10.00 H new ATOM 0 HE1 HIS A 30 -9.800 1.424 0.464 1.00 10.00 H new ATOM 422 N GLU A 31 -10.737 5.680 6.256 1.00 10.00 N ATOM 423 CA GLU A 31 -11.378 6.509 7.264 1.00 10.00 C ATOM 424 C GLU A 31 -12.885 6.214 7.416 1.00 10.00 C ATOM 425 O GLU A 31 -13.739 6.899 6.852 1.00 10.00 O ATOM 426 CB GLU A 31 -11.086 7.986 6.969 1.00 10.00 C ATOM 427 CG GLU A 31 -9.577 8.284 7.038 1.00 10.00 C ATOM 428 CD GLU A 31 -9.270 9.765 6.852 1.00 10.00 C ATOM 429 OE1 GLU A 31 -9.787 10.556 7.668 1.00 10.00 O ATOM 430 OE2 GLU A 31 -8.525 10.070 5.897 1.00 10.00 O ATOM 0 H GLU A 31 -10.403 6.199 5.444 1.00 10.00 H new ATOM 0 HA GLU A 31 -10.951 6.260 8.236 1.00 10.00 H new ATOM 0 HB2 GLU A 31 -11.464 8.243 5.980 1.00 10.00 H new ATOM 0 HB3 GLU A 31 -11.616 8.614 7.686 1.00 10.00 H new ATOM 0 HG2 GLU A 31 -9.187 7.953 8.001 1.00 10.00 H new ATOM 0 HG3 GLU A 31 -9.060 7.709 6.270 1.00 10.00 H new ATOM 437 N GLY A 32 -13.219 5.171 8.179 1.00 10.00 N ATOM 438 CA GLY A 32 -14.588 4.795 8.525 1.00 10.00 C ATOM 439 C GLY A 32 -15.311 4.073 7.384 1.00 10.00 C ATOM 440 O GLY A 32 -15.742 2.934 7.538 1.00 10.00 O ATOM 0 H GLY A 32 -12.522 4.547 8.585 1.00 10.00 H new ATOM 0 HA2 GLY A 32 -14.572 4.151 9.404 1.00 10.00 H new ATOM 0 HA3 GLY A 32 -15.148 5.690 8.796 1.00 10.00 H new ATOM 444 N THR A 33 -15.457 4.738 6.235 1.00 10.00 N ATOM 445 CA THR A 33 -16.123 4.189 5.051 1.00 10.00 C ATOM 446 C THR A 33 -15.090 3.611 4.071 1.00 10.00 C ATOM 447 O THR A 33 -14.402 4.383 3.402 1.00 10.00 O ATOM 448 CB THR A 33 -16.966 5.279 4.371 1.00 10.00 C ATOM 449 OG1 THR A 33 -17.859 5.850 5.304 1.00 10.00 O ATOM 450 CG2 THR A 33 -17.805 4.704 3.227 1.00 10.00 C ATOM 0 H THR A 33 -15.110 5.688 6.099 1.00 10.00 H new ATOM 0 HA THR A 33 -16.784 3.380 5.362 1.00 10.00 H new ATOM 0 HB THR A 33 -16.274 6.025 3.981 1.00 10.00 H new ATOM 0 HG1 THR A 33 -18.392 6.545 4.864 1.00 10.00 H new ATOM 0 HG21 THR A 33 -18.389 5.501 2.768 1.00 10.00 H new ATOM 0 HG22 THR A 33 -17.147 4.260 2.480 1.00 10.00 H new ATOM 0 HG23 THR A 33 -18.478 3.940 3.617 1.00 10.00 H new ATOM 458 N PRO A 34 -14.949 2.280 3.947 1.00 10.00 N ATOM 459 CA PRO A 34 -13.994 1.692 3.023 1.00 10.00 C ATOM 460 C PRO A 34 -14.488 1.822 1.578 1.00 10.00 C ATOM 461 O PRO A 34 -15.649 1.546 1.281 1.00 10.00 O ATOM 462 CB PRO A 34 -13.871 0.234 3.456 1.00 10.00 C ATOM 463 CG PRO A 34 -15.263 -0.081 3.999 1.00 10.00 C ATOM 464 CD PRO A 34 -15.672 1.235 4.661 1.00 10.00 C ATOM 0 HA PRO A 34 -13.027 2.194 3.048 1.00 10.00 H new ATOM 0 HB2 PRO A 34 -13.607 -0.414 2.620 1.00 10.00 H new ATOM 0 HB3 PRO A 34 -13.102 0.102 4.217 1.00 10.00 H new ATOM 0 HG2 PRO A 34 -15.953 -0.366 3.204 1.00 10.00 H new ATOM 0 HG3 PRO A 34 -15.242 -0.904 4.713 1.00 10.00 H new ATOM 0 HD2 PRO A 34 -16.749 1.389 4.593 1.00 10.00 H new ATOM 0 HD3 PRO A 34 -15.416 1.236 5.720 1.00 10.00 H new ATOM 472 N ALA A 35 -13.603 2.245 0.674 1.00 10.00 N ATOM 473 CA ALA A 35 -13.917 2.473 -0.732 1.00 10.00 C ATOM 474 C ALA A 35 -12.637 2.436 -1.574 1.00 10.00 C ATOM 475 O ALA A 35 -11.529 2.399 -1.034 1.00 10.00 O ATOM 476 CB ALA A 35 -14.645 3.815 -0.876 1.00 10.00 C ATOM 0 H ALA A 35 -12.629 2.442 0.906 1.00 10.00 H new ATOM 0 HA ALA A 35 -14.572 1.682 -1.097 1.00 10.00 H new ATOM 0 HB1 ALA A 35 -14.882 3.990 -1.926 1.00 10.00 H new ATOM 0 HB2 ALA A 35 -15.567 3.793 -0.295 1.00 10.00 H new ATOM 0 HB3 ALA A 35 -14.004 4.617 -0.510 1.00 10.00 H new ATOM 482 N LYS A 36 -12.779 2.438 -2.903 1.00 10.00 N ATOM 483 CA LYS A 36 -11.634 2.357 -3.802 1.00 10.00 C ATOM 484 C LYS A 36 -10.831 3.666 -3.891 1.00 10.00 C ATOM 485 O LYS A 36 -11.137 4.561 -4.674 1.00 10.00 O ATOM 486 CB LYS A 36 -12.023 1.785 -5.170 1.00 10.00 C ATOM 487 CG LYS A 36 -13.140 2.530 -5.913 1.00 10.00 C ATOM 488 CD LYS A 36 -13.194 1.994 -7.348 1.00 10.00 C ATOM 489 CE LYS A 36 -14.299 2.696 -8.145 1.00 10.00 C ATOM 490 NZ LYS A 36 -14.319 2.229 -9.547 1.00 10.00 N ATOM 0 H LYS A 36 -13.680 2.495 -3.377 1.00 10.00 H new ATOM 0 HA LYS A 36 -10.942 1.643 -3.355 1.00 10.00 H new ATOM 0 HB2 LYS A 36 -11.136 1.774 -5.803 1.00 10.00 H new ATOM 0 HB3 LYS A 36 -12.331 0.748 -5.035 1.00 10.00 H new ATOM 0 HG2 LYS A 36 -14.097 2.378 -5.413 1.00 10.00 H new ATOM 0 HG3 LYS A 36 -12.947 3.603 -5.914 1.00 10.00 H new ATOM 0 HD2 LYS A 36 -12.232 2.149 -7.836 1.00 10.00 H new ATOM 0 HD3 LYS A 36 -13.375 0.919 -7.334 1.00 10.00 H new ATOM 0 HE2 LYS A 36 -15.266 2.504 -7.680 1.00 10.00 H new ATOM 0 HE3 LYS A 36 -14.142 3.774 -8.119 1.00 10.00 H new ATOM 0 HZ1 LYS A 36 -15.076 2.719 -10.065 1.00 10.00 H new ATOM 0 HZ2 LYS A 36 -13.403 2.435 -9.995 1.00 10.00 H new ATOM 0 HZ3 LYS A 36 -14.492 1.204 -9.569 1.00 10.00 H new ATOM 504 N ILE A 37 -9.769 3.760 -3.092 1.00 10.00 N ATOM 505 CA ILE A 37 -8.784 4.836 -3.183 1.00 10.00 C ATOM 506 C ILE A 37 -8.008 4.702 -4.501 1.00 10.00 C ATOM 507 O ILE A 37 -7.506 3.625 -4.811 1.00 10.00 O ATOM 508 CB ILE A 37 -7.837 4.775 -1.968 1.00 10.00 C ATOM 509 CG1 ILE A 37 -8.634 4.958 -0.664 1.00 10.00 C ATOM 510 CG2 ILE A 37 -6.748 5.855 -2.081 1.00 10.00 C ATOM 511 CD1 ILE A 37 -7.849 4.529 0.577 1.00 10.00 C ATOM 0 H ILE A 37 -9.566 3.084 -2.356 1.00 10.00 H new ATOM 0 HA ILE A 37 -9.284 5.804 -3.174 1.00 10.00 H new ATOM 0 HB ILE A 37 -7.355 3.797 -1.952 1.00 10.00 H new ATOM 0 HG12 ILE A 37 -8.921 6.005 -0.563 1.00 10.00 H new ATOM 0 HG13 ILE A 37 -9.556 4.379 -0.723 1.00 10.00 H new ATOM 0 HG21 ILE A 37 -6.088 5.798 -1.215 1.00 10.00 H new ATOM 0 HG22 ILE A 37 -6.169 5.694 -2.990 1.00 10.00 H new ATOM 0 HG23 ILE A 37 -7.214 6.840 -2.118 1.00 10.00 H new ATOM 0 HD11 ILE A 37 -8.462 4.681 1.466 1.00 10.00 H new ATOM 0 HD12 ILE A 37 -7.585 3.475 0.494 1.00 10.00 H new ATOM 0 HD13 ILE A 37 -6.940 5.125 0.657 1.00 10.00 H new ATOM 523 N ALA A 38 -7.888 5.782 -5.281 1.00 10.00 N ATOM 524 CA ALA A 38 -7.131 5.734 -6.528 1.00 10.00 C ATOM 525 C ALA A 38 -5.619 5.685 -6.289 1.00 10.00 C ATOM 526 O ALA A 38 -4.968 6.689 -5.989 1.00 10.00 O ATOM 527 CB ALA A 38 -7.501 6.890 -7.444 1.00 10.00 C ATOM 0 H ALA A 38 -8.302 6.690 -5.070 1.00 10.00 H new ATOM 0 HA ALA A 38 -7.406 4.804 -7.026 1.00 10.00 H new ATOM 0 HB1 ALA A 38 -6.920 6.826 -8.364 1.00 10.00 H new ATOM 0 HB2 ALA A 38 -8.564 6.840 -7.682 1.00 10.00 H new ATOM 0 HB3 ALA A 38 -7.285 7.834 -6.944 1.00 10.00 H new ATOM 533 N ILE A 39 -5.071 4.486 -6.455 1.00 10.00 N ATOM 534 CA ILE A 39 -3.647 4.214 -6.366 1.00 10.00 C ATOM 535 C ILE A 39 -2.993 4.294 -7.748 1.00 10.00 C ATOM 536 O ILE A 39 -3.516 3.773 -8.730 1.00 10.00 O ATOM 537 CB ILE A 39 -3.401 2.858 -5.693 1.00 10.00 C ATOM 538 CG1 ILE A 39 -4.093 2.756 -4.324 1.00 10.00 C ATOM 539 CG2 ILE A 39 -1.894 2.639 -5.537 1.00 10.00 C ATOM 540 CD1 ILE A 39 -3.605 3.768 -3.279 1.00 10.00 C ATOM 0 H ILE A 39 -5.625 3.654 -6.661 1.00 10.00 H new ATOM 0 HA ILE A 39 -3.181 4.978 -5.744 1.00 10.00 H new ATOM 0 HB ILE A 39 -3.830 2.083 -6.329 1.00 10.00 H new ATOM 0 HG12 ILE A 39 -5.166 2.889 -4.464 1.00 10.00 H new ATOM 0 HG13 ILE A 39 -3.945 1.750 -3.932 1.00 10.00 H new ATOM 0 HG21 ILE A 39 -1.714 1.676 -5.059 1.00 10.00 H new ATOM 0 HG22 ILE A 39 -1.421 2.651 -6.519 1.00 10.00 H new ATOM 0 HG23 ILE A 39 -1.473 3.434 -4.922 1.00 10.00 H new ATOM 0 HD11 ILE A 39 -4.150 3.620 -2.347 1.00 10.00 H new ATOM 0 HD12 ILE A 39 -2.539 3.624 -3.103 1.00 10.00 H new ATOM 0 HD13 ILE A 39 -3.779 4.780 -3.644 1.00 10.00 H new ATOM 552 N ASP A 40 -1.843 4.963 -7.789 1.00 10.00 N ATOM 553 CA ASP A 40 -1.051 5.246 -8.970 1.00 10.00 C ATOM 554 C ASP A 40 0.370 5.562 -8.497 1.00 10.00 C ATOM 555 O ASP A 40 0.612 5.774 -7.306 1.00 10.00 O ATOM 556 CB ASP A 40 -1.694 6.451 -9.671 1.00 10.00 C ATOM 557 CG ASP A 40 -0.962 6.984 -10.888 1.00 10.00 C ATOM 558 OD1 ASP A 40 -0.101 7.859 -10.659 1.00 10.00 O ATOM 559 OD2 ASP A 40 -1.267 6.534 -12.008 1.00 10.00 O ATOM 0 H ASP A 40 -1.418 5.343 -6.943 1.00 10.00 H new ATOM 0 HA ASP A 40 -1.012 4.411 -9.670 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -2.704 6.174 -9.972 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -1.788 7.259 -8.946 1.00 10.00 H new ATOM 564 N LYS A 41 1.279 5.667 -9.450 1.00 10.00 N ATOM 565 CA LYS A 41 2.648 6.151 -9.291 1.00 10.00 C ATOM 566 C LYS A 41 2.749 7.602 -8.785 1.00 10.00 C ATOM 567 O LYS A 41 3.832 8.055 -8.420 1.00 10.00 O ATOM 568 CB LYS A 41 3.434 5.903 -10.584 1.00 10.00 C ATOM 569 CG LYS A 41 2.820 6.504 -11.862 1.00 10.00 C ATOM 570 CD LYS A 41 3.399 5.721 -13.047 1.00 10.00 C ATOM 571 CE LYS A 41 2.770 6.074 -14.394 1.00 10.00 C ATOM 572 NZ LYS A 41 3.301 5.189 -15.457 1.00 10.00 N ATOM 0 H LYS A 41 1.074 5.402 -10.414 1.00 10.00 H new ATOM 0 HA LYS A 41 3.109 5.574 -8.490 1.00 10.00 H new ATOM 0 HB2 LYS A 41 4.439 6.307 -10.460 1.00 10.00 H new ATOM 0 HB3 LYS A 41 3.538 4.827 -10.724 1.00 10.00 H new ATOM 0 HG2 LYS A 41 1.733 6.425 -11.842 1.00 10.00 H new ATOM 0 HG3 LYS A 41 3.061 7.564 -11.945 1.00 10.00 H new ATOM 0 HD2 LYS A 41 4.472 5.904 -13.100 1.00 10.00 H new ATOM 0 HD3 LYS A 41 3.266 4.655 -12.864 1.00 10.00 H new ATOM 0 HE2 LYS A 41 1.686 5.973 -14.335 1.00 10.00 H new ATOM 0 HE3 LYS A 41 2.980 7.115 -14.639 1.00 10.00 H new ATOM 0 HZ1 LYS A 41 2.619 5.140 -16.241 1.00 10.00 H new ATOM 0 HZ2 LYS A 41 4.204 5.569 -15.806 1.00 10.00 H new ATOM 0 HZ3 LYS A 41 3.453 4.235 -15.071 1.00 10.00 H new ATOM 586 N LYS A 42 1.629 8.319 -8.707 1.00 10.00 N ATOM 587 CA LYS A 42 1.465 9.554 -7.972 1.00 10.00 C ATOM 588 C LYS A 42 1.203 9.188 -6.501 1.00 10.00 C ATOM 589 O LYS A 42 2.054 9.400 -5.638 1.00 10.00 O ATOM 590 CB LYS A 42 0.308 10.307 -8.655 1.00 10.00 C ATOM 591 CG LYS A 42 0.228 11.811 -8.382 1.00 10.00 C ATOM 592 CD LYS A 42 -0.989 12.372 -9.146 1.00 10.00 C ATOM 593 CE LYS A 42 -0.596 13.477 -10.136 1.00 10.00 C ATOM 594 NZ LYS A 42 -1.746 13.878 -10.978 1.00 10.00 N ATOM 0 H LYS A 42 0.773 8.032 -9.182 1.00 10.00 H new ATOM 0 HA LYS A 42 2.339 10.206 -7.977 1.00 10.00 H new ATOM 0 HB2 LYS A 42 0.390 10.158 -9.732 1.00 10.00 H new ATOM 0 HB3 LYS A 42 -0.631 9.851 -8.341 1.00 10.00 H new ATOM 0 HG2 LYS A 42 0.126 11.999 -7.313 1.00 10.00 H new ATOM 0 HG3 LYS A 42 1.143 12.306 -8.707 1.00 10.00 H new ATOM 0 HD2 LYS A 42 -1.482 11.563 -9.685 1.00 10.00 H new ATOM 0 HD3 LYS A 42 -1.713 12.767 -8.433 1.00 10.00 H new ATOM 0 HE2 LYS A 42 -0.224 14.343 -9.589 1.00 10.00 H new ATOM 0 HE3 LYS A 42 0.218 13.127 -10.771 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 -1.450 14.626 -11.637 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 -2.085 13.056 -11.517 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 -2.512 14.234 -10.372 1.00 10.00 H new ATOM 608 N SER A 43 0.043 8.590 -6.207 1.00 10.00 N ATOM 609 CA SER A 43 -0.414 8.336 -4.850 1.00 10.00 C ATOM 610 C SER A 43 0.572 7.486 -4.035 1.00 10.00 C ATOM 611 O SER A 43 1.023 7.888 -2.959 1.00 10.00 O ATOM 612 CB SER A 43 -1.810 7.686 -4.887 1.00 10.00 C ATOM 613 OG SER A 43 -2.568 8.176 -5.981 1.00 10.00 O ATOM 0 H SER A 43 -0.609 8.267 -6.921 1.00 10.00 H new ATOM 0 HA SER A 43 -0.474 9.297 -4.338 1.00 10.00 H new ATOM 0 HB2 SER A 43 -1.709 6.603 -4.965 1.00 10.00 H new ATOM 0 HB3 SER A 43 -2.336 7.891 -3.954 1.00 10.00 H new ATOM 0 HG SER A 43 -3.418 7.691 -6.034 1.00 10.00 H new ATOM 619 N ALA A 44 0.904 6.312 -4.585 1.00 10.00 N ATOM 620 CA ALA A 44 1.712 5.258 -3.974 1.00 10.00 C ATOM 621 C ALA A 44 3.135 5.687 -3.619 1.00 10.00 C ATOM 622 O ALA A 44 3.797 5.033 -2.815 1.00 10.00 O ATOM 623 CB ALA A 44 1.808 4.086 -4.948 1.00 10.00 C ATOM 0 H ALA A 44 0.596 6.061 -5.524 1.00 10.00 H new ATOM 0 HA ALA A 44 1.213 4.993 -3.042 1.00 10.00 H new ATOM 0 HB1 ALA A 44 2.409 3.292 -4.504 1.00 10.00 H new ATOM 0 HB2 ALA A 44 0.808 3.708 -5.162 1.00 10.00 H new ATOM 0 HB3 ALA A 44 2.276 4.420 -5.874 1.00 10.00 H new ATOM 629 N HIS A 45 3.630 6.745 -4.266 1.00 10.00 N ATOM 630 CA HIS A 45 4.959 7.291 -4.035 1.00 10.00 C ATOM 631 C HIS A 45 4.929 8.571 -3.193 1.00 10.00 C ATOM 632 O HIS A 45 5.945 8.934 -2.604 1.00 10.00 O ATOM 633 CB HIS A 45 5.628 7.561 -5.377 1.00 10.00 C ATOM 634 CG HIS A 45 5.804 6.352 -6.257 1.00 10.00 C ATOM 635 ND1 HIS A 45 5.765 6.407 -7.621 1.00 10.00 N ATOM 636 CD2 HIS A 45 6.089 5.056 -5.899 1.00 10.00 C ATOM 637 CE1 HIS A 45 6.034 5.182 -8.082 1.00 10.00 C ATOM 638 NE2 HIS A 45 6.239 4.309 -7.078 1.00 10.00 N ATOM 0 H HIS A 45 3.104 7.252 -4.978 1.00 10.00 H new ATOM 0 HA HIS A 45 5.529 6.555 -3.469 1.00 10.00 H new ATOM 0 HB2 HIS A 45 5.038 8.302 -5.917 1.00 10.00 H new ATOM 0 HB3 HIS A 45 6.607 8.004 -5.195 1.00 10.00 H new ATOM 0 HD1 HIS A 45 5.567 7.233 -8.185 1.00 10.00 H new ATOM 0 HD2 HIS A 45 6.181 4.680 -4.891 1.00 10.00 H new ATOM 0 HE1 HIS A 45 6.081 4.924 -9.130 1.00 10.00 H new ATOM 646 N LYS A 46 3.783 9.253 -3.123 1.00 10.00 N ATOM 647 CA LYS A 46 3.667 10.514 -2.403 1.00 10.00 C ATOM 648 C LYS A 46 3.458 10.270 -0.912 1.00 10.00 C ATOM 649 O LYS A 46 4.219 10.765 -0.081 1.00 10.00 O ATOM 650 CB LYS A 46 2.507 11.330 -2.990 1.00 10.00 C ATOM 651 CG LYS A 46 2.604 12.807 -2.587 1.00 10.00 C ATOM 652 CD LYS A 46 1.486 13.602 -3.278 1.00 10.00 C ATOM 653 CE LYS A 46 1.589 15.108 -3.001 1.00 10.00 C ATOM 654 NZ LYS A 46 1.270 15.436 -1.593 1.00 10.00 N ATOM 0 H LYS A 46 2.916 8.945 -3.563 1.00 10.00 H new ATOM 0 HA LYS A 46 4.593 11.077 -2.518 1.00 10.00 H new ATOM 0 HB2 LYS A 46 2.514 11.246 -4.077 1.00 10.00 H new ATOM 0 HB3 LYS A 46 1.559 10.918 -2.645 1.00 10.00 H new ATOM 0 HG2 LYS A 46 2.519 12.906 -1.505 1.00 10.00 H new ATOM 0 HG3 LYS A 46 3.577 13.208 -2.869 1.00 10.00 H new ATOM 0 HD2 LYS A 46 1.530 13.428 -4.353 1.00 10.00 H new ATOM 0 HD3 LYS A 46 0.518 13.237 -2.936 1.00 10.00 H new ATOM 0 HE2 LYS A 46 2.597 15.451 -3.234 1.00 10.00 H new ATOM 0 HE3 LYS A 46 0.909 15.645 -3.662 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 1.352 16.463 -1.449 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 0.299 15.132 -1.377 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 1.935 14.944 -0.963 1.00 10.00 H new ATOM 668 N ASP A 47 2.379 9.548 -0.602 1.00 10.00 N ATOM 669 CA ASP A 47 1.804 9.525 0.737 1.00 10.00 C ATOM 670 C ASP A 47 1.148 8.169 1.051 1.00 10.00 C ATOM 671 O ASP A 47 1.574 7.455 1.962 1.00 10.00 O ATOM 672 CB ASP A 47 0.836 10.718 0.830 1.00 10.00 C ATOM 673 CG ASP A 47 0.627 11.207 2.250 1.00 10.00 C ATOM 674 OD1 ASP A 47 0.797 10.382 3.173 1.00 10.00 O ATOM 675 OD2 ASP A 47 0.337 12.414 2.375 1.00 10.00 O ATOM 0 H ASP A 47 1.882 8.964 -1.275 1.00 10.00 H new ATOM 0 HA ASP A 47 2.575 9.630 1.500 1.00 10.00 H new ATOM 0 HB2 ASP A 47 1.220 11.538 0.223 1.00 10.00 H new ATOM 0 HB3 ASP A 47 -0.126 10.431 0.406 1.00 10.00 H new ATOM 680 N ALA A 48 0.153 7.778 0.245 1.00 10.00 N ATOM 681 CA ALA A 48 -0.471 6.460 0.329 1.00 10.00 C ATOM 682 C ALA A 48 0.588 5.348 0.269 1.00 10.00 C ATOM 683 O ALA A 48 1.523 5.423 -0.528 1.00 10.00 O ATOM 684 CB ALA A 48 -1.504 6.304 -0.790 1.00 10.00 C ATOM 0 H ALA A 48 -0.240 8.372 -0.485 1.00 10.00 H new ATOM 0 HA ALA A 48 -0.982 6.371 1.287 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -1.967 5.319 -0.723 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -2.270 7.073 -0.688 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -1.012 6.409 -1.757 1.00 10.00 H new ATOM 690 N CYS A 49 0.475 4.357 1.162 1.00 10.00 N ATOM 691 CA CYS A 49 1.480 3.319 1.422 1.00 10.00 C ATOM 692 C CYS A 49 2.752 3.897 2.067 1.00 10.00 C ATOM 693 O CYS A 49 3.103 3.550 3.199 1.00 10.00 O ATOM 694 CB CYS A 49 1.820 2.502 0.186 1.00 10.00 C ATOM 695 SG CYS A 49 0.455 2.115 -0.971 1.00 10.00 S ATOM 0 H CYS A 49 -0.354 4.252 1.747 1.00 10.00 H new ATOM 0 HA CYS A 49 1.022 2.636 2.137 1.00 10.00 H new ATOM 0 HB2 CYS A 49 2.591 3.037 -0.369 1.00 10.00 H new ATOM 0 HB3 CYS A 49 2.259 1.560 0.515 1.00 10.00 H new ATOM 700 N LYS A 50 3.436 4.790 1.344 1.00 10.00 N ATOM 701 CA LYS A 50 4.670 5.443 1.748 1.00 10.00 C ATOM 702 C LYS A 50 4.664 5.899 3.205 1.00 10.00 C ATOM 703 O LYS A 50 5.487 5.427 3.977 1.00 10.00 O ATOM 704 CB LYS A 50 4.932 6.629 0.818 1.00 10.00 C ATOM 705 CG LYS A 50 5.402 6.159 -0.561 1.00 10.00 C ATOM 706 CD LYS A 50 6.862 6.531 -0.862 1.00 10.00 C ATOM 707 CE LYS A 50 7.872 5.829 0.052 1.00 10.00 C ATOM 708 NZ LYS A 50 9.255 6.149 -0.365 1.00 10.00 N ATOM 0 H LYS A 50 3.124 5.086 0.419 1.00 10.00 H new ATOM 0 HA LYS A 50 5.471 4.709 1.668 1.00 10.00 H new ATOM 0 HB2 LYS A 50 4.022 7.220 0.713 1.00 10.00 H new ATOM 0 HB3 LYS A 50 5.686 7.281 1.259 1.00 10.00 H new ATOM 0 HG2 LYS A 50 5.289 5.077 -0.627 1.00 10.00 H new ATOM 0 HG3 LYS A 50 4.758 6.594 -1.325 1.00 10.00 H new ATOM 0 HD2 LYS A 50 7.086 6.280 -1.899 1.00 10.00 H new ATOM 0 HD3 LYS A 50 6.982 7.610 -0.762 1.00 10.00 H new ATOM 0 HE2 LYS A 50 7.715 6.141 1.085 1.00 10.00 H new ATOM 0 HE3 LYS A 50 7.715 4.751 0.017 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 9.928 5.666 0.264 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 9.405 5.830 -1.343 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 9.405 7.177 -0.309 1.00 10.00 H new ATOM 722 N THR A 51 3.793 6.830 3.590 1.00 10.00 N ATOM 723 CA THR A 51 3.855 7.464 4.910 1.00 10.00 C ATOM 724 C THR A 51 3.754 6.452 6.058 1.00 10.00 C ATOM 725 O THR A 51 4.489 6.550 7.040 1.00 10.00 O ATOM 726 CB THR A 51 2.804 8.575 5.003 1.00 10.00 C ATOM 727 OG1 THR A 51 3.137 9.550 4.041 1.00 10.00 O ATOM 728 CG2 THR A 51 2.796 9.263 6.369 1.00 10.00 C ATOM 0 H THR A 51 3.029 7.166 3.003 1.00 10.00 H new ATOM 0 HA THR A 51 4.839 7.919 5.023 1.00 10.00 H new ATOM 0 HB THR A 51 1.822 8.129 4.842 1.00 10.00 H new ATOM 0 HG1 THR A 51 2.371 10.145 3.900 1.00 10.00 H new ATOM 0 HG21 THR A 51 2.033 10.041 6.380 1.00 10.00 H new ATOM 0 HG22 THR A 51 2.577 8.529 7.145 1.00 10.00 H new ATOM 0 HG23 THR A 51 3.772 9.709 6.557 1.00 10.00 H new ATOM 736 N CYS A 52 2.889 5.443 5.925 1.00 10.00 N ATOM 737 CA CYS A 52 2.824 4.351 6.896 1.00 10.00 C ATOM 738 C CYS A 52 4.156 3.597 6.950 1.00 10.00 C ATOM 739 O CYS A 52 4.767 3.478 8.009 1.00 10.00 O ATOM 740 CB CYS A 52 1.676 3.437 6.570 1.00 10.00 C ATOM 741 SG CYS A 52 1.518 2.186 7.875 1.00 10.00 S ATOM 0 H CYS A 52 2.225 5.361 5.155 1.00 10.00 H new ATOM 0 HA CYS A 52 2.647 4.766 7.888 1.00 10.00 H new ATOM 0 HB2 CYS A 52 0.753 4.010 6.485 1.00 10.00 H new ATOM 0 HB3 CYS A 52 1.842 2.955 5.606 1.00 10.00 H new ATOM 746 N HIS A 53 4.648 3.144 5.793 1.00 10.00 N ATOM 747 CA HIS A 53 5.954 2.503 5.695 1.00 10.00 C ATOM 748 C HIS A 53 7.079 3.344 6.353 1.00 10.00 C ATOM 749 O HIS A 53 7.806 2.836 7.203 1.00 10.00 O ATOM 750 CB HIS A 53 6.211 2.184 4.214 1.00 10.00 C ATOM 751 CG HIS A 53 5.495 0.968 3.688 1.00 10.00 C ATOM 752 ND1 HIS A 53 5.850 0.287 2.556 1.00 10.00 N ATOM 753 CD2 HIS A 53 4.385 0.352 4.198 1.00 10.00 C ATOM 754 CE1 HIS A 53 4.971 -0.719 2.392 1.00 10.00 C ATOM 755 NE2 HIS A 53 4.051 -0.736 3.370 1.00 10.00 N ATOM 0 H HIS A 53 4.152 3.213 4.905 1.00 10.00 H new ATOM 0 HA HIS A 53 5.958 1.573 6.263 1.00 10.00 H new ATOM 0 HB2 HIS A 53 5.916 3.047 3.616 1.00 10.00 H new ATOM 0 HB3 HIS A 53 7.283 2.047 4.069 1.00 10.00 H new ATOM 0 HD1 HIS A 53 6.639 0.503 1.946 1.00 10.00 H new ATOM 0 HD2 HIS A 53 3.853 0.651 5.089 1.00 10.00 H new ATOM 0 HE1 HIS A 53 5.002 -1.425 1.575 1.00 10.00 H new ATOM 763 N LYS A 54 7.206 4.625 5.984 1.00 10.00 N ATOM 764 CA LYS A 54 8.090 5.615 6.609 1.00 10.00 C ATOM 765 C LYS A 54 7.947 5.661 8.135 1.00 10.00 C ATOM 766 O LYS A 54 8.939 5.729 8.854 1.00 10.00 O ATOM 767 CB LYS A 54 7.790 7.000 6.069 1.00 10.00 C ATOM 768 CG LYS A 54 8.185 7.169 4.607 1.00 10.00 C ATOM 769 CD LYS A 54 8.302 8.679 4.440 1.00 10.00 C ATOM 770 CE LYS A 54 8.128 9.159 2.994 1.00 10.00 C ATOM 771 NZ LYS A 54 7.861 10.615 2.941 1.00 10.00 N ATOM 0 H LYS A 54 6.672 5.016 5.208 1.00 10.00 H new ATOM 0 HA LYS A 54 9.108 5.309 6.366 1.00 10.00 H new ATOM 0 HB2 LYS A 54 6.725 7.203 6.177 1.00 10.00 H new ATOM 0 HB3 LYS A 54 8.318 7.740 6.670 1.00 10.00 H new ATOM 0 HG2 LYS A 54 9.127 6.667 4.385 1.00 10.00 H new ATOM 0 HG3 LYS A 54 7.434 6.748 3.938 1.00 10.00 H new ATOM 0 HD2 LYS A 54 7.552 9.163 5.066 1.00 10.00 H new ATOM 0 HD3 LYS A 54 9.278 9.001 4.804 1.00 10.00 H new ATOM 0 HE2 LYS A 54 9.027 8.930 2.422 1.00 10.00 H new ATOM 0 HE3 LYS A 54 7.306 8.619 2.525 1.00 10.00 H new ATOM 0 HZ1 LYS A 54 7.748 10.911 1.951 1.00 10.00 H new ATOM 0 HZ2 LYS A 54 6.990 10.828 3.468 1.00 10.00 H new ATOM 0 HZ3 LYS A 54 8.658 11.130 3.367 1.00 10.00 H new ATOM 785 N SER A 55 6.703 5.678 8.624 1.00 10.00 N ATOM 786 CA SER A 55 6.409 5.766 10.051 1.00 10.00 C ATOM 787 C SER A 55 6.856 4.534 10.850 1.00 10.00 C ATOM 788 O SER A 55 6.809 4.568 12.081 1.00 10.00 O ATOM 789 CB SER A 55 4.909 5.999 10.259 1.00 10.00 C ATOM 790 OG SER A 55 4.658 6.275 11.625 1.00 10.00 O ATOM 0 H SER A 55 5.871 5.631 8.036 1.00 10.00 H new ATOM 0 HA SER A 55 6.986 6.609 10.432 1.00 10.00 H new ATOM 0 HB2 SER A 55 4.570 6.831 9.641 1.00 10.00 H new ATOM 0 HB3 SER A 55 4.347 5.119 9.946 1.00 10.00 H new ATOM 0 HG SER A 55 5.330 5.824 12.179 1.00 10.00 H new ATOM 796 N ASN A 56 7.235 3.433 10.192 1.00 10.00 N ATOM 797 CA ASN A 56 7.763 2.238 10.832 1.00 10.00 C ATOM 798 C ASN A 56 9.084 1.851 10.149 1.00 10.00 C ATOM 799 O ASN A 56 9.623 2.579 9.320 1.00 10.00 O ATOM 800 CB ASN A 56 6.725 1.104 10.726 1.00 10.00 C ATOM 801 CG ASN A 56 5.339 1.407 11.298 1.00 10.00 C ATOM 802 OD1 ASN A 56 4.362 0.781 10.908 1.00 10.00 O ATOM 803 ND2 ASN A 56 5.211 2.324 12.247 1.00 10.00 N ATOM 0 H ASN A 56 7.179 3.353 9.177 1.00 10.00 H new ATOM 0 HA ASN A 56 7.959 2.422 11.888 1.00 10.00 H new ATOM 0 HB2 ASN A 56 6.612 0.839 9.675 1.00 10.00 H new ATOM 0 HB3 ASN A 56 7.122 0.226 11.235 1.00 10.00 H new ATOM 0 HD21 ASN A 56 4.295 2.511 12.656 1.00 10.00 H new ATOM 0 HD22 ASN A 56 6.028 2.843 12.568 1.00 10.00 H new ATOM 810 N ASN A 57 9.593 0.658 10.444 1.00 10.00 N ATOM 811 CA ASN A 57 10.757 0.102 9.756 1.00 10.00 C ATOM 812 C ASN A 57 10.345 -0.491 8.398 1.00 10.00 C ATOM 813 O ASN A 57 10.614 -1.656 8.114 1.00 10.00 O ATOM 814 CB ASN A 57 11.434 -0.933 10.665 1.00 10.00 C ATOM 815 CG ASN A 57 11.792 -0.330 12.018 1.00 10.00 C ATOM 816 OD1 ASN A 57 12.791 0.361 12.159 1.00 10.00 O ATOM 817 ND2 ASN A 57 10.975 -0.569 13.037 1.00 10.00 N ATOM 0 H ASN A 57 9.211 0.048 11.167 1.00 10.00 H new ATOM 0 HA ASN A 57 11.480 0.891 9.547 1.00 10.00 H new ATOM 0 HB2 ASN A 57 10.769 -1.785 10.808 1.00 10.00 H new ATOM 0 HB3 ASN A 57 12.336 -1.310 10.182 1.00 10.00 H new ATOM 0 HD21 ASN A 57 11.176 -0.174 13.956 1.00 10.00 H new ATOM 0 HD22 ASN A 57 10.146 -1.148 12.901 1.00 10.00 H new ATOM 824 N GLY A 58 9.654 0.295 7.565 1.00 10.00 N ATOM 825 CA GLY A 58 9.125 -0.194 6.297 1.00 10.00 C ATOM 826 C GLY A 58 10.223 -0.487 5.265 1.00 10.00 C ATOM 827 O GLY A 58 11.353 -0.011 5.397 1.00 10.00 O ATOM 0 H GLY A 58 9.450 1.277 7.752 1.00 10.00 H new ATOM 0 HA2 GLY A 58 8.549 -1.102 6.475 1.00 10.00 H new ATOM 0 HA3 GLY A 58 8.436 0.545 5.887 1.00 10.00 H new ATOM 831 N PRO A 59 9.902 -1.240 4.200 1.00 10.00 N ATOM 832 CA PRO A 59 10.835 -1.537 3.123 1.00 10.00 C ATOM 833 C PRO A 59 11.044 -0.293 2.241 1.00 10.00 C ATOM 834 O PRO A 59 10.555 -0.203 1.115 1.00 10.00 O ATOM 835 CB PRO A 59 10.205 -2.726 2.394 1.00 10.00 C ATOM 836 CG PRO A 59 8.707 -2.477 2.559 1.00 10.00 C ATOM 837 CD PRO A 59 8.627 -1.908 3.976 1.00 10.00 C ATOM 0 HA PRO A 59 11.839 -1.795 3.462 1.00 10.00 H new ATOM 0 HB2 PRO A 59 10.496 -2.755 1.344 1.00 10.00 H new ATOM 0 HB3 PRO A 59 10.507 -3.676 2.835 1.00 10.00 H new ATOM 0 HG2 PRO A 59 8.327 -1.775 1.817 1.00 10.00 H new ATOM 0 HG3 PRO A 59 8.128 -3.395 2.456 1.00 10.00 H new ATOM 0 HD2 PRO A 59 7.796 -1.209 4.072 1.00 10.00 H new ATOM 0 HD3 PRO A 59 8.465 -2.699 4.708 1.00 10.00 H new ATOM 845 N THR A 60 11.775 0.690 2.774 1.00 10.00 N ATOM 846 CA THR A 60 12.044 2.000 2.176 1.00 10.00 C ATOM 847 C THR A 60 13.001 1.898 0.979 1.00 10.00 C ATOM 848 O THR A 60 14.125 2.393 1.016 1.00 10.00 O ATOM 849 CB THR A 60 12.572 2.928 3.287 1.00 10.00 C ATOM 850 OG1 THR A 60 11.615 2.939 4.327 1.00 10.00 O ATOM 851 CG2 THR A 60 12.763 4.388 2.866 1.00 10.00 C ATOM 0 H THR A 60 12.220 0.587 3.686 1.00 10.00 H new ATOM 0 HA THR A 60 11.126 2.421 1.765 1.00 10.00 H new ATOM 0 HB THR A 60 13.549 2.536 3.571 1.00 10.00 H new ATOM 0 HG1 THR A 60 11.926 3.522 5.051 1.00 10.00 H new ATOM 0 HG21 THR A 60 13.137 4.965 3.712 1.00 10.00 H new ATOM 0 HG22 THR A 60 13.480 4.440 2.046 1.00 10.00 H new ATOM 0 HG23 THR A 60 11.808 4.800 2.539 1.00 10.00 H new ATOM 859 N LYS A 61 12.554 1.245 -0.097 1.00 10.00 N ATOM 860 CA LYS A 61 13.352 0.957 -1.285 1.00 10.00 C ATOM 861 C LYS A 61 12.422 0.539 -2.430 1.00 10.00 C ATOM 862 O LYS A 61 11.398 -0.094 -2.184 1.00 10.00 O ATOM 863 CB LYS A 61 14.336 -0.170 -0.932 1.00 10.00 C ATOM 864 CG LYS A 61 15.516 -0.313 -1.900 1.00 10.00 C ATOM 865 CD LYS A 61 16.497 -1.329 -1.295 1.00 10.00 C ATOM 866 CE LYS A 61 17.759 -1.480 -2.152 1.00 10.00 C ATOM 867 NZ LYS A 61 18.734 -2.390 -1.511 1.00 10.00 N ATOM 0 H LYS A 61 11.599 0.893 -0.165 1.00 10.00 H new ATOM 0 HA LYS A 61 13.910 1.836 -1.608 1.00 10.00 H new ATOM 0 HB2 LYS A 61 14.725 0.006 0.071 1.00 10.00 H new ATOM 0 HB3 LYS A 61 13.791 -1.114 -0.902 1.00 10.00 H new ATOM 0 HG2 LYS A 61 15.170 -0.651 -2.877 1.00 10.00 H new ATOM 0 HG3 LYS A 61 16.006 0.649 -2.050 1.00 10.00 H new ATOM 0 HD2 LYS A 61 16.776 -1.012 -0.290 1.00 10.00 H new ATOM 0 HD3 LYS A 61 16.005 -2.297 -1.199 1.00 10.00 H new ATOM 0 HE2 LYS A 61 17.490 -1.865 -3.136 1.00 10.00 H new ATOM 0 HE3 LYS A 61 18.216 -0.503 -2.306 1.00 10.00 H new ATOM 0 HZ1 LYS A 61 19.578 -2.474 -2.113 1.00 10.00 H new ATOM 0 HZ2 LYS A 61 19.007 -2.008 -0.583 1.00 10.00 H new ATOM 0 HZ3 LYS A 61 18.303 -3.328 -1.386 1.00 10.00 H new ATOM 881 N CYS A 62 12.762 0.857 -3.682 1.00 10.00 N ATOM 882 CA CYS A 62 11.925 0.522 -4.844 1.00 10.00 C ATOM 883 C CYS A 62 11.600 -0.977 -4.881 1.00 10.00 C ATOM 884 O CYS A 62 10.439 -1.384 -4.802 1.00 10.00 O ATOM 885 CB CYS A 62 12.588 0.967 -6.127 1.00 10.00 C ATOM 886 SG CYS A 62 13.283 2.648 -6.034 1.00 10.00 S ATOM 0 H CYS A 62 13.621 1.352 -3.921 1.00 10.00 H new ATOM 0 HA CYS A 62 10.982 1.060 -4.746 1.00 10.00 H new ATOM 0 HB2 CYS A 62 13.384 0.266 -6.379 1.00 10.00 H new ATOM 0 HB3 CYS A 62 11.860 0.927 -6.937 1.00 10.00 H new ATOM 891 N GLY A 63 12.655 -1.797 -4.903 1.00 10.00 N ATOM 892 CA GLY A 63 12.573 -3.251 -4.795 1.00 10.00 C ATOM 893 C GLY A 63 11.962 -3.751 -3.477 1.00 10.00 C ATOM 894 O GLY A 63 11.635 -4.926 -3.351 1.00 10.00 O ATOM 0 H GLY A 63 13.612 -1.457 -4.999 1.00 10.00 H new ATOM 0 HA2 GLY A 63 11.979 -3.633 -5.626 1.00 10.00 H new ATOM 0 HA3 GLY A 63 13.574 -3.669 -4.900 1.00 10.00 H new ATOM 898 N GLY A 64 11.804 -2.865 -2.488 1.00 10.00 N ATOM 899 CA GLY A 64 11.090 -3.141 -1.252 1.00 10.00 C ATOM 900 C GLY A 64 9.579 -3.283 -1.469 1.00 10.00 C ATOM 901 O GLY A 64 8.910 -3.962 -0.694 1.00 10.00 O ATOM 0 H GLY A 64 12.180 -1.918 -2.532 1.00 10.00 H new ATOM 0 HA2 GLY A 64 11.478 -4.058 -0.808 1.00 10.00 H new ATOM 0 HA3 GLY A 64 11.278 -2.338 -0.540 1.00 10.00 H new ATOM 905 N CYS A 65 9.046 -2.653 -2.524 1.00 10.00 N ATOM 906 CA CYS A 65 7.657 -2.829 -2.954 1.00 10.00 C ATOM 907 C CYS A 65 7.578 -3.656 -4.242 1.00 10.00 C ATOM 908 O CYS A 65 6.800 -4.598 -4.332 1.00 10.00 O ATOM 909 CB CYS A 65 7.007 -1.487 -3.152 1.00 10.00 C ATOM 910 SG CYS A 65 6.603 -0.686 -1.567 1.00 10.00 S ATOM 0 H CYS A 65 9.573 -2.002 -3.106 1.00 10.00 H new ATOM 0 HA CYS A 65 7.123 -3.372 -2.174 1.00 10.00 H new ATOM 0 HB2 CYS A 65 7.673 -0.842 -3.725 1.00 10.00 H new ATOM 0 HB3 CYS A 65 6.097 -1.608 -3.740 1.00 10.00 H new ATOM 915 N HIS A 66 8.363 -3.287 -5.253 1.00 10.00 N ATOM 916 CA HIS A 66 8.297 -3.870 -6.585 1.00 10.00 C ATOM 917 C HIS A 66 9.128 -5.162 -6.708 1.00 10.00 C ATOM 918 O HIS A 66 10.339 -5.130 -6.497 1.00 10.00 O ATOM 919 CB HIS A 66 8.816 -2.799 -7.547 1.00 10.00 C ATOM 920 CG HIS A 66 7.926 -1.603 -7.659 1.00 10.00 C ATOM 921 ND1 HIS A 66 6.859 -1.536 -8.500 1.00 10.00 N ATOM 922 CD2 HIS A 66 8.063 -0.377 -7.069 1.00 10.00 C ATOM 923 CE1 HIS A 66 6.357 -0.298 -8.435 1.00 10.00 C ATOM 924 NE2 HIS A 66 7.053 0.464 -7.576 1.00 10.00 N ATOM 0 H HIS A 66 9.074 -2.561 -5.164 1.00 10.00 H new ATOM 0 HA HIS A 66 7.272 -4.161 -6.814 1.00 10.00 H new ATOM 0 HB2 HIS A 66 9.803 -2.476 -7.217 1.00 10.00 H new ATOM 0 HB3 HIS A 66 8.940 -3.242 -8.535 1.00 10.00 H new ATOM 0 HD1 HIS A 66 6.504 -2.297 -9.079 1.00 10.00 H new ATOM 0 HD2 HIS A 66 8.813 -0.102 -6.342 1.00 10.00 H new ATOM 0 HE1 HIS A 66 5.503 0.044 -9.000 1.00 10.00 H new ATOM 932 N ILE A 67 8.525 -6.278 -7.135 1.00 10.00 N ATOM 933 CA ILE A 67 9.298 -7.477 -7.484 1.00 10.00 C ATOM 934 C ILE A 67 10.305 -7.166 -8.604 1.00 10.00 C ATOM 935 O ILE A 67 9.919 -6.682 -9.666 1.00 10.00 O ATOM 936 CB ILE A 67 8.371 -8.631 -7.910 1.00 10.00 C ATOM 937 CG1 ILE A 67 7.283 -8.954 -6.875 1.00 10.00 C ATOM 938 CG2 ILE A 67 9.184 -9.895 -8.229 1.00 10.00 C ATOM 939 CD1 ILE A 67 7.798 -9.321 -5.479 1.00 10.00 C ATOM 0 H ILE A 67 7.516 -6.376 -7.247 1.00 10.00 H new ATOM 0 HA ILE A 67 9.846 -7.789 -6.595 1.00 10.00 H new ATOM 0 HB ILE A 67 7.859 -8.287 -8.809 1.00 10.00 H new ATOM 0 HG12 ILE A 67 6.622 -8.092 -6.786 1.00 10.00 H new ATOM 0 HG13 ILE A 67 6.680 -9.781 -7.251 1.00 10.00 H new ATOM 0 HG21 ILE A 67 8.508 -10.697 -8.527 1.00 10.00 H new ATOM 0 HG22 ILE A 67 9.879 -9.685 -9.042 1.00 10.00 H new ATOM 0 HG23 ILE A 67 9.742 -10.202 -7.344 1.00 10.00 H new ATOM 0 HD11 ILE A 67 6.953 -9.531 -4.823 1.00 10.00 H new ATOM 0 HD12 ILE A 67 8.434 -10.204 -5.546 1.00 10.00 H new ATOM 0 HD13 ILE A 67 8.374 -8.489 -5.073 1.00 10.00 H new ATOM 951 N LYS A 68 11.590 -7.449 -8.379 1.00 10.00 N ATOM 952 CA LYS A 68 12.661 -7.241 -9.346 1.00 10.00 C ATOM 953 C LYS A 68 13.837 -8.174 -9.057 1.00 10.00 C ATOM 954 O LYS A 68 13.957 -8.621 -7.897 1.00 10.00 O ATOM 955 CB LYS A 68 13.119 -5.774 -9.350 1.00 10.00 C ATOM 956 CG LYS A 68 13.632 -5.335 -7.973 1.00 10.00 C ATOM 957 CD LYS A 68 15.095 -4.852 -7.947 1.00 10.00 C ATOM 958 CE LYS A 68 16.137 -5.984 -7.893 1.00 10.00 C ATOM 959 NZ LYS A 68 16.449 -6.558 -9.220 1.00 10.00 N ATOM 960 OXT LYS A 68 14.692 -8.298 -9.964 1.00 10.00 O ATOM 0 H LYS A 68 11.919 -7.839 -7.496 1.00 10.00 H new ATOM 0 HA LYS A 68 12.273 -7.476 -10.337 1.00 10.00 H new ATOM 0 HB2 LYS A 68 13.907 -5.641 -10.091 1.00 10.00 H new ATOM 0 HB3 LYS A 68 12.289 -5.135 -9.650 1.00 10.00 H new ATOM 0 HG2 LYS A 68 12.994 -4.533 -7.603 1.00 10.00 H new ATOM 0 HG3 LYS A 68 13.528 -6.170 -7.280 1.00 10.00 H new ATOM 0 HD2 LYS A 68 15.281 -4.246 -8.834 1.00 10.00 H new ATOM 0 HD3 LYS A 68 15.236 -4.204 -7.082 1.00 10.00 H new ATOM 0 HE2 LYS A 68 17.055 -5.602 -7.445 1.00 10.00 H new ATOM 0 HE3 LYS A 68 15.769 -6.776 -7.240 1.00 10.00 H new ATOM 0 HZ1 LYS A 68 17.130 -7.336 -9.110 1.00 10.00 H new ATOM 0 HZ2 LYS A 68 15.577 -6.920 -9.655 1.00 10.00 H new ATOM 0 HZ3 LYS A 68 16.860 -5.822 -9.829 1.00 10.00 H new TER 974 LYS A 68 HETATM 975 FE HEC A 130 -9.378 -1.674 1.215 1.00 10.00 FE HETATM 976 CHA HEC A 130 -10.280 -0.798 -1.895 1.00 10.00 C HETATM 977 CHB HEC A 130 -12.423 -2.580 1.934 1.00 10.00 C HETATM 978 CHC HEC A 130 -8.226 -3.015 4.023 1.00 10.00 C HETATM 979 CHD HEC A 130 -6.400 -0.302 0.671 1.00 10.00 C HETATM 980 NA HEC A 130 -11.000 -1.647 0.249 1.00 10.00 N HETATM 981 C1A HEC A 130 -11.188 -1.291 -1.037 1.00 10.00 C HETATM 982 C2A HEC A 130 -12.552 -1.580 -1.423 1.00 10.00 C HETATM 983 C3A HEC A 130 -13.197 -1.895 -0.263 1.00 10.00 C HETATM 984 C4A HEC A 130 -12.163 -2.068 0.727 1.00 10.00 C HETATM 985 CMA HEC A 130 -14.691 -2.069 -0.071 1.00 10.00 C HETATM 986 CAA HEC A 130 -13.126 -1.694 -2.827 1.00 10.00 C HETATM 987 CBA HEC A 130 -13.705 -3.086 -3.160 1.00 10.00 C HETATM 988 CGA HEC A 130 -12.772 -4.306 -2.972 1.00 10.00 C HETATM 989 O1A HEC A 130 -13.250 -5.446 -3.178 1.00 10.00 O HETATM 990 O2A HEC A 130 -11.581 -4.165 -2.604 1.00 10.00 O HETATM 991 NB HEC A 130 -10.156 -2.600 2.677 1.00 10.00 N HETATM 992 C1B HEC A 130 -11.447 -2.857 2.802 1.00 10.00 C HETATM 993 C2B HEC A 130 -11.707 -3.542 4.047 1.00 10.00 C HETATM 994 C3B HEC A 130 -10.486 -3.722 4.640 1.00 10.00 C HETATM 995 C4B HEC A 130 -9.532 -3.094 3.750 1.00 10.00 C HETATM 996 CMB HEC A 130 -13.063 -3.990 4.564 1.00 10.00 C HETATM 997 CAB HEC A 130 -10.186 -4.490 5.922 1.00 10.00 C HETATM 998 CBB HEC A 130 -10.407 -5.999 5.770 1.00 10.00 C HETATM 999 NC HEC A 130 -7.689 -1.664 2.138 1.00 10.00 N HETATM 1000 C1C HEC A 130 -7.406 -2.287 3.278 1.00 10.00 C HETATM 1001 C2C HEC A 130 -6.007 -2.131 3.603 1.00 10.00 C HETATM 1002 C3C HEC A 130 -5.544 -1.190 2.732 1.00 10.00 C HETATM 1003 C4C HEC A 130 -6.595 -1.015 1.764 1.00 10.00 C HETATM 1004 CMC HEC A 130 -5.185 -2.895 4.627 1.00 10.00 C HETATM 1005 CAC HEC A 130 -4.299 -0.337 2.884 1.00 10.00 C HETATM 1006 CBC HEC A 130 -2.996 -1.066 2.559 1.00 10.00 C HETATM 1007 ND HEC A 130 -8.530 -0.723 -0.285 1.00 10.00 N HETATM 1008 C1D HEC A 130 -7.289 -0.271 -0.295 1.00 10.00 C HETATM 1009 C2D HEC A 130 -6.930 0.217 -1.599 1.00 10.00 C HETATM 1010 C3D HEC A 130 -8.048 0.075 -2.364 1.00 10.00 C HETATM 1011 C4D HEC A 130 -9.045 -0.510 -1.494 1.00 10.00 C HETATM 1012 CMD HEC A 130 -5.542 0.600 -2.072 1.00 10.00 C HETATM 1013 CAD HEC A 130 -8.144 0.326 -3.854 1.00 10.00 C HETATM 1014 CBD HEC A 130 -8.081 -0.986 -4.655 1.00 10.00 C HETATM 1015 CGD HEC A 130 -8.449 -0.825 -6.139 1.00 10.00 C HETATM 1016 O1D HEC A 130 -9.553 -0.294 -6.403 1.00 10.00 O HETATM 1017 O2D HEC A 130 -7.619 -1.242 -6.980 1.00 10.00 O HETATM 0 HMD3 HEC A 130 -5.155 1.406 -1.449 1.00 10.00 H new HETATM 0 HMD2 HEC A 130 -4.881 -0.264 -1.999 1.00 10.00 H new HETATM 0 HMD1 HEC A 130 -5.590 0.933 -3.109 1.00 10.00 H new HETATM 0 HMC3 HEC A 130 -5.614 -2.751 5.619 1.00 10.00 H new HETATM 0 HMC2 HEC A 130 -5.191 -3.957 4.380 1.00 10.00 H new HETATM 0 HMC1 HEC A 130 -4.159 -2.527 4.618 1.00 10.00 H new HETATM 0 HMB3 HEC A 130 -13.714 -3.123 4.676 1.00 10.00 H new HETATM 0 HMB2 HEC A 130 -13.509 -4.690 3.857 1.00 10.00 H new HETATM 0 HMB1 HEC A 130 -12.940 -4.479 5.530 1.00 10.00 H new HETATM 0 HMA3 HEC A 130 -15.202 -1.141 -0.330 1.00 10.00 H new HETATM 0 HMA2 HEC A 130 -15.050 -2.872 -0.715 1.00 10.00 H new HETATM 0 HMA1 HEC A 130 -14.897 -2.319 0.970 1.00 10.00 H new HETATM 0 HBD2 HEC A 130 -7.074 -1.397 -4.582 1.00 10.00 H new HETATM 0 HBD1 HEC A 130 -8.755 -1.712 -4.200 1.00 10.00 H new HETATM 0 HBC3 HEC A 130 -2.881 -1.920 3.226 1.00 10.00 H new HETATM 0 HBC2 HEC A 130 -3.021 -1.413 1.526 1.00 10.00 H new HETATM 0 HBC1 HEC A 130 -2.155 -0.385 2.693 1.00 10.00 H new HETATM 0 HBB3 HEC A 130 -11.446 -6.189 5.501 1.00 10.00 H new HETATM 0 HBB2 HEC A 130 -9.754 -6.385 4.988 1.00 10.00 H new HETATM 0 HBB1 HEC A 130 -10.179 -6.497 6.712 1.00 10.00 H new HETATM 0 HBA2 HEC A 130 -14.590 -3.240 -2.542 1.00 10.00 H new HETATM 0 HBA1 HEC A 130 -14.039 -3.073 -4.198 1.00 10.00 H new HETATM 0 HAD2 HEC A 130 -9.077 0.844 -4.077 1.00 10.00 H new HETATM 0 HAD1 HEC A 130 -7.332 0.983 -4.166 1.00 10.00 H new HETATM 0 HAA2 HEC A 130 -13.911 -0.947 -2.949 1.00 10.00 H new HETATM 0 HAA1 HEC A 130 -12.344 -1.456 -3.548 1.00 10.00 H new HETATM 0 HHD HEC A 130 -5.480 0.274 0.568 1.00 10.00 H new HETATM 0 HHC HEC A 130 -7.826 -3.561 4.877 1.00 10.00 H new HETATM 0 HHB HEC A 130 -13.457 -2.776 2.217 1.00 10.00 H new HETATM 0 HHA HEC A 130 -10.559 -0.631 -2.935 1.00 10.00 H new HETATM 0 H2D HEC A 130 -7.035 -0.505 -7.257 1.00 10.00 H new HETATM 0 H2A HEC A 130 -11.547 -4.087 -1.628 1.00 10.00 H new HETATM 1050 FE HEC A 153 2.569 -2.090 3.493 1.00 10.00 FE HETATM 1051 CHA HEC A 153 4.688 -4.413 4.592 1.00 10.00 C HETATM 1052 CHB HEC A 153 3.109 -3.073 0.350 1.00 10.00 C HETATM 1053 CHC HEC A 153 0.425 0.189 2.450 1.00 10.00 C HETATM 1054 CHD HEC A 153 2.003 -1.123 6.652 1.00 10.00 C HETATM 1055 NA HEC A 153 3.694 -3.413 2.644 1.00 10.00 N HETATM 1056 C1A HEC A 153 4.504 -4.270 3.277 1.00 10.00 C HETATM 1057 C2A HEC A 153 5.215 -5.079 2.314 1.00 10.00 C HETATM 1058 C3A HEC A 153 4.679 -4.777 1.097 1.00 10.00 C HETATM 1059 C4A HEC A 153 3.764 -3.687 1.334 1.00 10.00 C HETATM 1060 CMA HEC A 153 4.968 -5.482 -0.215 1.00 10.00 C HETATM 1061 CAA HEC A 153 6.364 -6.030 2.585 1.00 10.00 C HETATM 1062 CBA HEC A 153 5.929 -7.411 3.103 1.00 10.00 C HETATM 1063 CGA HEC A 153 7.103 -8.202 3.704 1.00 10.00 C HETATM 1064 O1A HEC A 153 7.629 -7.726 4.737 1.00 10.00 O HETATM 1065 O2A HEC A 153 7.467 -9.249 3.123 1.00 10.00 O HETATM 1066 NB HEC A 153 1.918 -1.558 1.783 1.00 10.00 N HETATM 1067 C1B HEC A 153 2.255 -2.074 0.596 1.00 10.00 C HETATM 1068 C2B HEC A 153 1.607 -1.336 -0.467 1.00 10.00 C HETATM 1069 C3B HEC A 153 0.770 -0.447 0.146 1.00 10.00 C HETATM 1070 C4B HEC A 153 1.033 -0.590 1.560 1.00 10.00 C HETATM 1071 CMB HEC A 153 1.887 -1.432 -1.951 1.00 10.00 C HETATM 1072 CAB HEC A 153 -0.245 0.497 -0.503 1.00 10.00 C HETATM 1073 CBB HEC A 153 -0.972 -0.070 -1.732 1.00 10.00 C HETATM 1074 NC HEC A 153 1.449 -0.737 4.372 1.00 10.00 N HETATM 1075 C1C HEC A 153 0.644 0.108 3.755 1.00 10.00 C HETATM 1076 C2C HEC A 153 -0.021 0.980 4.703 1.00 10.00 C HETATM 1077 C3C HEC A 153 0.441 0.597 5.933 1.00 10.00 C HETATM 1078 C4C HEC A 153 1.368 -0.485 5.675 1.00 10.00 C HETATM 1079 CMC HEC A 153 -1.012 2.100 4.413 1.00 10.00 C HETATM 1080 CAC HEC A 153 0.115 1.193 7.301 1.00 10.00 C HETATM 1081 CBC HEC A 153 -1.193 1.980 7.469 1.00 10.00 C HETATM 1082 ND HEC A 153 3.195 -2.658 5.247 1.00 10.00 N HETATM 1083 C1D HEC A 153 2.808 -2.160 6.419 1.00 10.00 C HETATM 1084 C2D HEC A 153 3.365 -2.932 7.502 1.00 10.00 C HETATM 1085 C3D HEC A 153 4.123 -3.908 6.920 1.00 10.00 C HETATM 1086 C4D HEC A 153 4.037 -3.669 5.492 1.00 10.00 C HETATM 1087 CMD HEC A 153 3.086 -2.767 8.987 1.00 10.00 C HETATM 1088 CAD HEC A 153 4.650 -5.146 7.631 1.00 10.00 C HETATM 1089 CBD HEC A 153 5.604 -4.885 8.832 1.00 10.00 C HETATM 1090 CGD HEC A 153 5.838 -6.085 9.804 1.00 10.00 C HETATM 1091 O1D HEC A 153 5.655 -6.992 10.650 1.00 10.00 O HETATM 1092 O2D HEC A 153 4.642 -5.842 10.105 1.00 10.00 O HETATM 0 HMD3 HEC A 153 3.374 -1.764 9.302 1.00 10.00 H new HETATM 0 HMD2 HEC A 153 2.023 -2.916 9.176 1.00 10.00 H new HETATM 0 HMD1 HEC A 153 3.661 -3.503 9.549 1.00 10.00 H new HETATM 0 HMC3 HEC A 153 -0.538 2.850 3.780 1.00 10.00 H new HETATM 0 HMC2 HEC A 153 -1.884 1.691 3.902 1.00 10.00 H new HETATM 0 HMC1 HEC A 153 -1.324 2.561 5.350 1.00 10.00 H new HETATM 0 HMB3 HEC A 153 2.927 -1.166 -2.143 1.00 10.00 H new HETATM 0 HMB2 HEC A 153 1.704 -2.452 -2.290 1.00 10.00 H new HETATM 0 HMB1 HEC A 153 1.232 -0.747 -2.490 1.00 10.00 H new HETATM 0 HMA3 HEC A 153 6.031 -5.405 -0.443 1.00 10.00 H new HETATM 0 HMA2 HEC A 153 4.690 -6.533 -0.132 1.00 10.00 H new HETATM 0 HMA1 HEC A 153 4.391 -5.016 -1.013 1.00 10.00 H new HETATM 0 HBD2 HEC A 153 6.571 -4.570 8.439 1.00 10.00 H new HETATM 0 HBD1 HEC A 153 5.207 -4.050 9.409 1.00 10.00 H new HETATM 0 HBC3 HEC A 153 -1.195 2.832 6.789 1.00 10.00 H new HETATM 0 HBC2 HEC A 153 -2.039 1.332 7.241 1.00 10.00 H new HETATM 0 HBC1 HEC A 153 -1.274 2.335 8.496 1.00 10.00 H new HETATM 0 HBB3 HEC A 153 -0.243 -0.319 -2.503 1.00 10.00 H new HETATM 0 HBB2 HEC A 153 -1.521 -0.968 -1.448 1.00 10.00 H new HETATM 0 HBB1 HEC A 153 -1.669 0.674 -2.118 1.00 10.00 H new HETATM 0 HBA2 HEC A 153 5.153 -7.286 3.858 1.00 10.00 H new HETATM 0 HBA1 HEC A 153 5.489 -7.982 2.285 1.00 10.00 H new HETATM 0 HAD2 HEC A 153 3.799 -5.727 7.987 1.00 10.00 H new HETATM 0 HAD1 HEC A 153 5.175 -5.764 6.903 1.00 10.00 H new HETATM 0 HAA2 HEC A 153 6.936 -6.162 1.667 1.00 10.00 H new HETATM 0 HAA1 HEC A 153 7.034 -5.575 3.315 1.00 10.00 H new HETATM 0 HHD HEC A 153 1.861 -0.787 7.679 1.00 10.00 H new HETATM 0 HHC HEC A 153 -0.288 0.930 2.089 1.00 10.00 H new HETATM 0 HHB HEC A 153 3.273 -3.392 -0.679 1.00 10.00 H new HETATM 0 HHA HEC A 153 5.395 -5.164 4.944 1.00 10.00 H new HETATM 0 H2D HEC A 153 4.557 -5.776 11.079 1.00 10.00 H new HETATM 0 H2A HEC A 153 8.229 -9.640 3.600 1.00 10.00 H new HETATM 1125 FE HEC A 166 6.690 2.400 -7.324 1.00 10.00 FE HETATM 1126 CHA HEC A 166 4.322 2.363 -9.646 1.00 10.00 C HETATM 1127 CHB HEC A 166 8.998 2.988 -9.594 1.00 10.00 C HETATM 1128 CHC HEC A 166 8.928 2.860 -4.901 1.00 10.00 C HETATM 1129 CHD HEC A 166 4.507 1.287 -5.063 1.00 10.00 C HETATM 1130 NA HEC A 166 6.674 2.578 -9.217 1.00 10.00 N HETATM 1131 C1A HEC A 166 5.596 2.547 -10.015 1.00 10.00 C HETATM 1132 C2A HEC A 166 6.007 2.752 -11.392 1.00 10.00 C HETATM 1133 C3A HEC A 166 7.354 2.955 -11.356 1.00 10.00 C HETATM 1134 C4A HEC A 166 7.740 2.798 -9.978 1.00 10.00 C HETATM 1135 CMA HEC A 166 8.234 3.437 -12.496 1.00 10.00 C HETATM 1136 CAA HEC A 166 5.163 2.787 -12.651 1.00 10.00 C HETATM 1137 CBA HEC A 166 5.446 1.652 -13.648 1.00 10.00 C HETATM 1138 CGA HEC A 166 4.537 1.708 -14.889 1.00 10.00 C HETATM 1139 O1A HEC A 166 4.224 2.848 -15.322 1.00 10.00 O HETATM 1140 O2A HEC A 166 4.204 0.618 -15.408 1.00 10.00 O HETATM 1141 NB HEC A 166 8.555 2.845 -7.255 1.00 10.00 N HETATM 1142 C1B HEC A 166 9.332 3.041 -8.309 1.00 10.00 C HETATM 1143 C2B HEC A 166 10.669 3.401 -7.901 1.00 10.00 C HETATM 1144 C3B HEC A 166 10.656 3.396 -6.534 1.00 10.00 C HETATM 1145 C4B HEC A 166 9.302 3.032 -6.168 1.00 10.00 C HETATM 1146 CMB HEC A 166 11.826 3.750 -8.821 1.00 10.00 C HETATM 1147 CAB HEC A 166 11.839 3.661 -5.604 1.00 10.00 C HETATM 1148 CBB HEC A 166 12.252 5.137 -5.559 1.00 10.00 C HETATM 1149 NC HEC A 166 6.722 2.116 -5.402 1.00 10.00 N HETATM 1150 C1C HEC A 166 7.743 2.350 -4.596 1.00 10.00 C HETATM 1151 C2C HEC A 166 7.431 1.964 -3.242 1.00 10.00 C HETATM 1152 C3C HEC A 166 6.188 1.403 -3.298 1.00 10.00 C HETATM 1153 C4C HEC A 166 5.740 1.592 -4.663 1.00 10.00 C HETATM 1154 CMC HEC A 166 8.363 2.033 -2.043 1.00 10.00 C HETATM 1155 CAC HEC A 166 5.499 0.616 -2.190 1.00 10.00 C HETATM 1156 CBC HEC A 166 4.963 1.477 -1.045 1.00 10.00 C HETATM 1157 ND HEC A 166 4.778 1.981 -7.341 1.00 10.00 N HETATM 1158 C1D HEC A 166 4.082 1.533 -6.304 1.00 10.00 C HETATM 1159 C2D HEC A 166 2.703 1.334 -6.675 1.00 10.00 C HETATM 1160 C3D HEC A 166 2.616 1.615 -8.009 1.00 10.00 C HETATM 1161 C4D HEC A 166 3.951 2.053 -8.397 1.00 10.00 C HETATM 1162 CMD HEC A 166 1.563 0.864 -5.784 1.00 10.00 C HETATM 1163 CAD HEC A 166 1.344 1.353 -8.820 1.00 10.00 C HETATM 1164 CBD HEC A 166 1.445 0.972 -10.312 1.00 10.00 C HETATM 1165 CGD HEC A 166 1.388 2.146 -11.315 1.00 10.00 C HETATM 1166 O1D HEC A 166 1.110 3.287 -10.881 1.00 10.00 O HETATM 1167 O2D HEC A 166 1.749 1.906 -12.485 1.00 10.00 O HETATM 0 HMD3 HEC A 166 1.794 -0.125 -5.389 1.00 10.00 H new HETATM 0 HMD2 HEC A 166 1.434 1.564 -4.958 1.00 10.00 H new HETATM 0 HMD1 HEC A 166 0.642 0.816 -6.366 1.00 10.00 H new HETATM 0 HMC3 HEC A 166 9.239 1.411 -2.227 1.00 10.00 H new HETATM 0 HMC2 HEC A 166 8.677 3.065 -1.885 1.00 10.00 H new HETATM 0 HMC1 HEC A 166 7.842 1.673 -1.156 1.00 10.00 H new HETATM 0 HMB3 HEC A 166 12.039 2.904 -9.475 1.00 10.00 H new HETATM 0 HMB2 HEC A 166 11.562 4.618 -9.425 1.00 10.00 H new HETATM 0 HMB1 HEC A 166 12.709 3.978 -8.224 1.00 10.00 H new HETATM 0 HMA3 HEC A 166 8.167 2.737 -13.329 1.00 10.00 H new HETATM 0 HMA2 HEC A 166 7.900 4.422 -12.823 1.00 10.00 H new HETATM 0 HMA1 HEC A 166 9.268 3.499 -12.156 1.00 10.00 H new HETATM 0 HBD2 HEC A 166 2.380 0.433 -10.467 1.00 10.00 H new HETATM 0 HBD1 HEC A 166 0.636 0.280 -10.546 1.00 10.00 H new HETATM 0 HBC3 HEC A 166 5.786 2.022 -0.583 1.00 10.00 H new HETATM 0 HBC2 HEC A 166 4.232 2.186 -1.434 1.00 10.00 H new HETATM 0 HBC1 HEC A 166 4.488 0.838 -0.300 1.00 10.00 H new HETATM 0 HBB3 HEC A 166 12.539 5.465 -6.558 1.00 10.00 H new HETATM 0 HBB2 HEC A 166 11.414 5.739 -5.206 1.00 10.00 H new HETATM 0 HBB1 HEC A 166 13.097 5.258 -4.881 1.00 10.00 H new HETATM 0 HBA2 HEC A 166 6.488 1.703 -13.964 1.00 10.00 H new HETATM 0 HBA1 HEC A 166 5.311 0.693 -13.148 1.00 10.00 H new HETATM 0 HAD2 HEC A 166 0.798 0.554 -8.318 1.00 10.00 H new HETATM 0 HAD1 HEC A 166 0.728 2.250 -8.755 1.00 10.00 H new HETATM 0 HAA2 HEC A 166 4.111 2.749 -12.368 1.00 10.00 H new HETATM 0 HAA1 HEC A 166 5.324 3.741 -13.153 1.00 10.00 H new HETATM 0 HHD HEC A 166 3.823 0.821 -4.354 1.00 10.00 H new HETATM 0 HHC HEC A 166 9.610 3.144 -4.099 1.00 10.00 H new HETATM 0 HHB HEC A 166 9.774 3.103 -10.351 1.00 10.00 H new HETATM 0 HHA HEC A 166 3.545 2.471 -10.403 1.00 10.00 H new HETATM 0 H2D HEC A 166 1.551 2.679 -13.054 1.00 10.00 H new HETATM 0 H2A HEC A 166 3.477 0.769 -16.048 1.00 10.00 H new CONECT 233 975 CONECT 282 1050 CONECT 368 997 CONECT 400 1005 CONECT 414 975 CONECT 638 1125 CONECT 695 1072 CONECT 741 1080 CONECT 755 1050 CONECT 886 1147 CONECT 910 1155 CONECT 924 1125 CONECT 975 233 414 980 991 CONECT 975 999 1007 CONECT 976 981 1011 1018 CONECT 977 984 992 1019 CONECT 978 995 1000 1020 CONECT 979 1003 1008 1021 CONECT 980 975 981 984 CONECT 981 976 980 982 CONECT 982 981 983 986 CONECT 983 982 984 985 CONECT 984 977 980 983 CONECT 985 983 1022 1023 1024 CONECT 986 982 987 1025 1026 CONECT 987 986 988 1027 1028 CONECT 988 987 989 990 CONECT 989 988 CONECT 990 988 CONECT 991 975 992 995 CONECT 992 977 991 993 CONECT 993 992 994 996 CONECT 994 993 995 997 CONECT 995 978 991 994 CONECT 996 993 1029 1030 1031 CONECT 997 368 994 998 1032 CONECT 998 997 1033 1034 1035 CONECT 999 975 1000 1003 CONECT 1000 978 999 1001 CONECT 1001 1000 1002 1004 CONECT 1002 1001 1003 1005 CONECT 1003 979 999 1002 CONECT 1004 1001 1036 1037 1038 CONECT 1005 400 1002 1006 1039 CONECT 1006 1005 1040 1041 1042 CONECT 1007 975 1008 1011 CONECT 1008 979 1007 1009 CONECT 1009 1008 1010 1012 CONECT 1010 1009 1011 1013 CONECT 1011 976 1007 1010 CONECT 1012 1009 1043 1044 1045 CONECT 1013 1010 1014 1046 1047 CONECT 1014 1013 1015 1048 1049 CONECT 1015 1014 1016 1017 CONECT 1016 1015 CONECT 1017 1015 CONECT 1018 976 CONECT 1019 977 CONECT 1020 978 CONECT 1021 979 CONECT 1022 985 CONECT 1023 985 CONECT 1024 985 CONECT 1025 986 CONECT 1026 986 CONECT 1027 987 CONECT 1028 987 CONECT 1029 996 CONECT 1030 996 CONECT 1031 996 CONECT 1032 997 CONECT 1033 998 CONECT 1034 998 CONECT 1035 998 CONECT 1036 1004 CONECT 1037 1004 CONECT 1038 1004 CONECT 1039 1005 CONECT 1040 1006 CONECT 1041 1006 CONECT 1042 1006 CONECT 1043 1012 CONECT 1044 1012 CONECT 1045 1012 CONECT 1046 1013 CONECT 1047 1013 CONECT 1048 1014 CONECT 1049 1014 CONECT 1050 282 755 1055 1066 CONECT 1050 1074 1082 CONECT 1051 1056 1086 1093 CONECT 1052 1059 1067 1094 CONECT 1053 1070 1075 1095 CONECT 1054 1078 1083 1096 CONECT 1055 1050 1056 1059 CONECT 1056 1051 1055 1057 CONECT 1057 1056 1058 1061 CONECT 1058 1057 1059 1060 CONECT 1059 1052 1055 1058 CONECT 1060 1058 1097 1098 1099 CONECT 1061 1057 1062 1100 1101 CONECT 1062 1061 1063 1102 1103 CONECT 1063 1062 1064 1065 CONECT 1064 1063 CONECT 1065 1063 CONECT 1066 1050 1067 1070 CONECT 1067 1052 1066 1068 CONECT 1068 1067 1069 1071 CONECT 1069 1068 1070 1072 CONECT 1070 1053 1066 1069 CONECT 1071 1068 1104 1105 1106 CONECT 1072 695 1069 1073 1107 CONECT 1073 1072 1108 1109 1110 CONECT 1074 1050 1075 1078 CONECT 1075 1053 1074 1076 CONECT 1076 1075 1077 1079 CONECT 1077 1076 1078 1080 CONECT 1078 1054 1074 1077 CONECT 1079 1076 1111 1112 1113 CONECT 1080 741 1077 1081 1114 CONECT 1081 1080 1115 1116 1117 CONECT 1082 1050 1083 1086 CONECT 1083 1054 1082 1084 CONECT 1084 1083 1085 1087 CONECT 1085 1084 1086 1088 CONECT 1086 1051 1082 1085 CONECT 1087 1084 1118 1119 1120 CONECT 1088 1085 1089 1121 1122 CONECT 1089 1088 1090 1123 1124 CONECT 1090 1089 1091 1092 CONECT 1091 1090 CONECT 1092 1090 CONECT 1093 1051 CONECT 1094 1052 CONECT 1095 1053 CONECT 1096 1054 CONECT 1097 1060 CONECT 1098 1060 CONECT 1099 1060 CONECT 1100 1061 CONECT 1101 1061 CONECT 1102 1062 CONECT 1103 1062 CONECT 1104 1071 CONECT 1105 1071 CONECT 1106 1071 CONECT 1107 1072 CONECT 1108 1073 CONECT 1109 1073 CONECT 1110 1073 CONECT 1111 1079 CONECT 1112 1079 CONECT 1113 1079 CONECT 1114 1080 CONECT 1115 1081 CONECT 1116 1081 CONECT 1117 1081 CONECT 1118 1087 CONECT 1119 1087 CONECT 1120 1087 CONECT 1121 1088 CONECT 1122 1088 CONECT 1123 1089 CONECT 1124 1089 CONECT 1125 638 924 1130 1141 CONECT 1125 1149 1157 CONECT 1126 1131 1161 1168 CONECT 1127 1134 1142 1169 CONECT 1128 1145 1150 1170 CONECT 1129 1153 1158 1171 CONECT 1130 1125 1131 1134 CONECT 1131 1126 1130 1132 CONECT 1132 1131 1133 1136 CONECT 1133 1132 1134 1135 CONECT 1134 1127 1130 1133 CONECT 1135 1133 1172 1173 1174 CONECT 1136 1132 1137 1175 1176 CONECT 1137 1136 1138 1177 1178 CONECT 1138 1137 1139 1140 CONECT 1139 1138 CONECT 1140 1138 CONECT 1141 1125 1142 1145 CONECT 1142 1127 1141 1143 CONECT 1143 1142 1144 1146 CONECT 1144 1143 1145 1147 CONECT 1145 1128 1141 1144 CONECT 1146 1143 1179 1180 1181 CONECT 1147 886 1144 1148 1182 CONECT 1148 1147 1183 1184 1185 CONECT 1149 1125 1150 1153 CONECT 1150 1128 1149 1151 CONECT 1151 1150 1152 1154 CONECT 1152 1151 1153 1155 CONECT 1153 1129 1149 1152 CONECT 1154 1151 1186 1187 1188 CONECT 1155 910 1152 1156 1189 CONECT 1156 1155 1190 1191 1192 CONECT 1157 1125 1158 1161 CONECT 1158 1129 1157 1159 CONECT 1159 1158 1160 1162 CONECT 1160 1159 1161 1163 CONECT 1161 1126 1157 1160 CONECT 1162 1159 1193 1194 1195 CONECT 1163 1160 1164 1196 1197 CONECT 1164 1163 1165 1198 1199 CONECT 1165 1164 1166 1167 CONECT 1166 1165 CONECT 1167 1165 CONECT 1168 1126 CONECT 1169 1127 CONECT 1170 1128 CONECT 1171 1129 CONECT 1172 1135 CONECT 1173 1135 CONECT 1174 1135 CONECT 1175 1136 CONECT 1176 1136 CONECT 1177 1137 CONECT 1178 1137 CONECT 1179 1146 CONECT 1180 1146 CONECT 1181 1146 CONECT 1182 1147 CONECT 1183 1148 CONECT 1184 1148 CONECT 1185 1148 CONECT 1186 1154 CONECT 1187 1154 CONECT 1188 1154 CONECT 1189 1155 CONECT 1190 1156 CONECT 1191 1156 CONECT 1192 1156 CONECT 1193 1162 CONECT 1194 1162 CONECT 1195 1162 CONECT 1196 1163 CONECT 1197 1163 CONECT 1198 1164 CONECT 1199 1164 END