USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 762 hydrogens (30 hets) HEADER ELECTRON TRANSPORT 06-APR-98 1B5B TITLE RAT FERROCYTOCHROME B5 B CONFORMATION, NMR, 1 STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: FERROCYTOCHROME B5; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES; COMPND 5 OTHER_DETAILS: HEME AS PROSTHETIC GROUP, WITH H63 AND H39 COMPND 6 AS AXIAL LIGANDS SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; SOURCE 3 ORGANISM_COMMON: NORWAY RAT; SOURCE 4 ORGANISM_TAXID: 10116; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3) PLYSS; SOURCE 8 EXPRESSION_SYSTEM_CELL_LINE: BL21; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET3C KEYWDS ELECTRON TRANSPORT EXPDTA SOLUTION NMR AUTHOR B.DANGI,S.SARMA,C.YAN,D.BANVILLE,R.D.GUILES REVDAT 2 24-FEB-09 1B5B 1 VERSN REVDAT 1 17-JUN-98 1B5B 0 JRNL AUTH B.DANGI,S.SARMA,C.YAN,D.L.BANVILLE,R.D.GUILES JRNL TITL THE ORIGIN OF DIFFERENCES IN THE PHYSICAL JRNL TITL 2 PROPERTIES OF THE EQUILIBRIUM FORMS OF CYTOCHROME JRNL TITL 3 B5 REVEALED THROUGH HIGH-RESOLUTION NMR STRUCTURES JRNL TITL 4 AND BACKBONE DYNAMIC ANALYSES. JRNL REF BIOCHEMISTRY V. 37 8289 1998 JRNL REFN ISSN 0006-2960 JRNL PMID 9622481 JRNL DOI 10.1021/BI9801964 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : DIANA REMARK 3 AUTHORS : WUTHRICH REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1B5B COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 313 REMARK 210 PH : 7.0 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY, DQF-COSY, TOCSY, N15 REMARK 210 3D NOESY-HMQC, N15 3D TOCSY- REMARK 210 HMQC, 3D HCCH-TOCSY, HNCO, REMARK 210 CBCA(CO)NH, HSQC, HCACO< HNHA REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : AMX 600, UNITY 500 REMARK 210 SPECTROMETER MANUFACTURER : BRUKER (600 MHZ), VARIAN (500 REMARK 210 MHZ) REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : DIANA 2.1 REMARK 210 METHOD USED : DISTANCE GEOMETRY REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 200 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : CLOSEST TO THE AVERAGE REMARK 210 STRUCTURE, LOW TARGET FUNCTION 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 3 -57.58 76.32 REMARK 500 VAL A 4 159.54 -43.86 REMARK 500 HIS A 27 46.27 35.67 REMARK 500 PRO A 40 23.97 -75.03 REMARK 500 HIS A 63 133.55 -39.58 REMARK 500 TYR A 74 48.19 -92.27 REMARK 500 HIS A 80 145.92 -38.95 REMARK 500 ALA A 88 -76.28 67.23 REMARK 500 LYS A 89 123.27 171.99 REMARK 500 SER A 91 105.24 55.37 REMARK 500 GLU A 92 169.10 68.04 REMARK 500 THR A 93 -49.14 -160.38 REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 HEM A 95 FE REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS A 39 NE2 REMARK 620 2 HIS A 63 NE2 170.9 REMARK 620 N 1 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HEM A 95 DBREF 1B5B A 1 94 UNP P00173 CYB5_RAT 5 98 SEQRES 1 A 94 ASP LYS ASP VAL LYS TYR TYR THR LEU GLU GLU ILE GLN SEQRES 2 A 94 LYS HIS LYS ASP SER LYS SER THR TRP VAL ILE LEU HIS SEQRES 3 A 94 HIS LYS VAL TYR ASP LEU THR LYS PHE LEU GLU GLU HIS SEQRES 4 A 94 PRO GLY GLY GLU GLU VAL LEU ARG GLU GLN ALA GLY GLY SEQRES 5 A 94 ASP ALA THR GLU ASN PHE GLU ASP VAL GLY HIS SER THR SEQRES 6 A 94 ASP ALA ARG GLU LEU SER LYS THR TYR ILE ILE GLY GLU SEQRES 7 A 94 LEU HIS PRO ASP ASP ARG SER LYS ILE ALA LYS PRO SER SEQRES 8 A 94 GLU THR LEU HET HEM A 95 73 HETNAM HEM PROTOPORPHYRIN IX CONTAINING FE HETSYN HEM HEME FORMUL 2 HEM C34 H32 FE N4 O4 HELIX 1 I LEU A 9 ILE A 12 1 4 HELIX 2 II THR A 33 GLU A 38 1 6 HELIX 3 III GLU A 44 ARG A 47 1 4 HELIX 4 IV ASP A 53 ASP A 60 1 8 HELIX 5 V THR A 65 SER A 71 1 7 HELIX 6 VI PRO A 81 LYS A 86 5 6 SHEET 1 I 5 LYS A 5 TYR A 7 0 SHEET 2 I 5 TYR A 74 HIS A 80 1 N GLU A 78 O LYS A 5 SHEET 3 I 5 HIS A 27 LEU A 32 -1 O HIS A 27 N LEU A 79 SHEET 4 I 5 THR A 21 LEU A 25 -1 O THR A 21 N LEU A 32 SHEET 5 I 5 GLY A 51 ALA A 54 1 N GLY A 51 O TRP A 22 LINK FE HEM A 95 NE2 HIS A 39 1555 1555 1.92 LINK FE HEM A 95 NE2 HIS A 63 1555 1555 2.01 SITE *** AC1 13 VAL A 23 PHE A 35 HIS A 39 PRO A 40 SITE *** AC1 13 GLY A 41 VAL A 45 LEU A 46 ALA A 54 SITE *** AC1 13 ASN A 57 VAL A 61 HIS A 63 SER A 64 SITE *** AC1 13 SER A 71 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 39 HIS HE2 : A 39 HIS NE2 : A 95 HEMFE :(H bumps) USER MOD NoAdj-H: A 63 HIS HE2 : A 63 HIS NE2 : A 95 HEMFE :(H bumps) USER MOD Single : A 1 ASP N :NH3+ 148:sc= 0.0582 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot -10:sc= 0.124 USER MOD Single : A 7 TYR OH : rot 170:sc= 0.03 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.0042) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS :FLIP no HD1:sc= -2.3 F(o=-5!,f=-2.3) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.0165 USER MOD Single : A 26 HIS : no HE2:sc= -0.267 K(o=-0.27,f=-1.8) USER MOD Single : A 27 HIS :FLIP no HD1:sc= -4.39! C(o=-5.3!,f=-4.4!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -70:sc= 0.0565 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.122 K(o=-0.12,f=-2.2!) USER MOD Single : A 55 THR OG1 : rot 120:sc= -0.308 USER MOD Single : A 57 ASN : amide:sc= -2.29! C(o=-2.3!,f=-2.3!) USER MOD Single : A 64 SER OG : rot -128:sc= -1.9 USER MOD Single : A 65 THR OG1 : rot 180:sc=0.000524 USER MOD Single : A 71 SER OG : rot -100:sc= 1.5 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 30:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -3.21! C(o=-3.2!,f=-5.7!) USER MOD Single : A 85 SER OG : rot -43:sc= 0.472 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= -1.85 USER MOD Single : A 95 HEM CMA :methyl -30:sc= -1.6 (180deg=-2.21) USER MOD Single : A 95 HEM CMB :methyl -30:sc= -8.56! (180deg=-8.81!) USER MOD Single : A 95 HEM CMC :methyl -30:sc= -2.14 (180deg=-4.35!) USER MOD Single : A 95 HEM CMD :methyl 150:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -20.236 14.248 -21.756 1.00 1.00 N ATOM 2 CA ASP A 1 -19.822 15.535 -21.222 1.00 1.00 C ATOM 3 C ASP A 1 -19.275 16.401 -22.358 1.00 1.00 C ATOM 4 O ASP A 1 -18.933 15.891 -23.424 1.00 1.00 O ATOM 5 CB ASP A 1 -18.715 15.368 -20.180 1.00 1.00 C ATOM 6 CG ASP A 1 -19.084 15.821 -18.766 1.00 1.00 C ATOM 7 OD1 ASP A 1 -20.296 16.020 -18.532 1.00 1.00 O ATOM 8 OD2 ASP A 1 -18.147 15.958 -17.951 1.00 1.00 O ATOM 0 H1 ASP A 1 -20.091 13.511 -21.037 1.00 1.00 H new ATOM 0 H2 ASP A 1 -21.243 14.287 -22.014 1.00 1.00 H new ATOM 0 H3 ASP A 1 -19.671 14.024 -22.600 1.00 1.00 H new ATOM 0 HA ASP A 1 -20.689 16.002 -20.755 1.00 1.00 H new ATOM 0 HB2 ASP A 1 -18.425 14.318 -20.145 1.00 1.00 H new ATOM 0 HB3 ASP A 1 -17.840 15.929 -20.508 1.00 1.00 H new ATOM 13 N LYS A 2 -19.210 17.698 -22.092 1.00 1.00 N ATOM 14 CA LYS A 2 -18.711 18.640 -23.078 1.00 1.00 C ATOM 15 C LYS A 2 -17.481 19.356 -22.516 1.00 1.00 C ATOM 16 O LYS A 2 -17.096 19.130 -21.370 1.00 1.00 O ATOM 17 CB LYS A 2 -19.824 19.589 -23.525 1.00 1.00 C ATOM 18 CG LYS A 2 -20.273 20.489 -22.371 1.00 1.00 C ATOM 19 CD LYS A 2 -20.807 21.824 -22.894 1.00 1.00 C ATOM 20 CE LYS A 2 -22.219 22.093 -22.370 1.00 1.00 C ATOM 21 NZ LYS A 2 -22.169 22.928 -21.149 1.00 1.00 N ATOM 0 H LYS A 2 -19.495 18.118 -21.207 1.00 1.00 H new ATOM 0 HA LYS A 2 -18.392 18.115 -23.978 1.00 1.00 H new ATOM 0 HB2 LYS A 2 -19.472 20.203 -24.354 1.00 1.00 H new ATOM 0 HB3 LYS A 2 -20.673 19.012 -23.893 1.00 1.00 H new ATOM 0 HG2 LYS A 2 -21.047 19.985 -21.792 1.00 1.00 H new ATOM 0 HG3 LYS A 2 -19.435 20.667 -21.697 1.00 1.00 H new ATOM 0 HD2 LYS A 2 -20.142 22.631 -22.587 1.00 1.00 H new ATOM 0 HD3 LYS A 2 -20.815 21.814 -23.984 1.00 1.00 H new ATOM 0 HE2 LYS A 2 -22.808 22.595 -23.137 1.00 1.00 H new ATOM 0 HE3 LYS A 2 -22.718 21.149 -22.152 1.00 1.00 H new ATOM 0 HZ1 LYS A 2 -23.136 23.101 -20.807 1.00 1.00 H new ATOM 0 HZ2 LYS A 2 -21.624 22.435 -20.413 1.00 1.00 H new ATOM 0 HZ3 LYS A 2 -21.712 23.836 -21.368 1.00 1.00 H new ATOM 35 N ASP A 3 -16.899 20.207 -23.349 1.00 1.00 N ATOM 36 CA ASP A 3 -15.721 20.958 -22.950 1.00 1.00 C ATOM 37 C ASP A 3 -14.499 20.038 -22.985 1.00 1.00 C ATOM 38 O ASP A 3 -13.526 20.319 -23.683 1.00 1.00 O ATOM 39 CB ASP A 3 -15.867 21.495 -21.525 1.00 1.00 C ATOM 40 CG ASP A 3 -17.257 22.029 -21.174 1.00 1.00 C ATOM 41 OD1 ASP A 3 -17.715 22.940 -21.898 1.00 1.00 O ATOM 42 OD2 ASP A 3 -17.832 21.514 -20.191 1.00 1.00 O ATOM 0 H ASP A 3 -17.222 20.393 -24.299 1.00 1.00 H new ATOM 0 HA ASP A 3 -15.604 21.793 -23.640 1.00 1.00 H new ATOM 0 HB2 ASP A 3 -15.613 20.699 -20.825 1.00 1.00 H new ATOM 0 HB3 ASP A 3 -15.140 22.293 -21.377 1.00 1.00 H new ATOM 47 N VAL A 4 -14.589 18.957 -22.223 1.00 1.00 N ATOM 48 CA VAL A 4 -13.503 17.994 -22.159 1.00 1.00 C ATOM 49 C VAL A 4 -12.977 17.729 -23.571 1.00 1.00 C ATOM 50 O VAL A 4 -13.673 17.982 -24.554 1.00 1.00 O ATOM 51 CB VAL A 4 -13.971 16.724 -21.447 1.00 1.00 C ATOM 52 CG1 VAL A 4 -14.953 15.938 -22.318 1.00 1.00 C ATOM 53 CG2 VAL A 4 -12.781 15.853 -21.039 1.00 1.00 C ATOM 0 H VAL A 4 -15.397 18.727 -21.645 1.00 1.00 H new ATOM 0 HA VAL A 4 -12.674 18.392 -21.573 1.00 1.00 H new ATOM 0 HB VAL A 4 -14.494 17.023 -20.538 1.00 1.00 H new ATOM 0 HG11 VAL A 4 -15.270 15.040 -21.789 1.00 1.00 H new ATOM 0 HG12 VAL A 4 -15.823 16.558 -22.535 1.00 1.00 H new ATOM 0 HG13 VAL A 4 -14.466 15.656 -23.252 1.00 1.00 H new ATOM 0 HG21 VAL A 4 -13.142 14.957 -20.535 1.00 1.00 H new ATOM 0 HG22 VAL A 4 -12.218 15.568 -21.927 1.00 1.00 H new ATOM 0 HG23 VAL A 4 -12.134 16.413 -20.364 1.00 1.00 H new ATOM 63 N LYS A 5 -11.754 17.224 -23.628 1.00 1.00 N ATOM 64 CA LYS A 5 -11.127 16.921 -24.903 1.00 1.00 C ATOM 65 C LYS A 5 -10.954 15.407 -25.035 1.00 1.00 C ATOM 66 O LYS A 5 -10.608 14.732 -24.067 1.00 1.00 O ATOM 67 CB LYS A 5 -9.823 17.706 -25.059 1.00 1.00 C ATOM 68 CG LYS A 5 -9.982 18.840 -26.074 1.00 1.00 C ATOM 69 CD LYS A 5 -10.111 18.288 -27.495 1.00 1.00 C ATOM 70 CE LYS A 5 -8.777 17.724 -27.987 1.00 1.00 C ATOM 71 NZ LYS A 5 -8.165 18.632 -28.983 1.00 1.00 N ATOM 0 H LYS A 5 -11.180 17.017 -22.811 1.00 1.00 H new ATOM 0 HA LYS A 5 -11.765 17.241 -25.727 1.00 1.00 H new ATOM 0 HB2 LYS A 5 -9.524 18.116 -24.094 1.00 1.00 H new ATOM 0 HB3 LYS A 5 -9.027 17.035 -25.381 1.00 1.00 H new ATOM 0 HG2 LYS A 5 -10.864 19.432 -25.828 1.00 1.00 H new ATOM 0 HG3 LYS A 5 -9.123 19.508 -26.016 1.00 1.00 H new ATOM 0 HD2 LYS A 5 -10.871 17.507 -27.518 1.00 1.00 H new ATOM 0 HD3 LYS A 5 -10.446 19.078 -28.167 1.00 1.00 H new ATOM 0 HE2 LYS A 5 -8.099 17.590 -27.144 1.00 1.00 H new ATOM 0 HE3 LYS A 5 -8.933 16.741 -28.430 1.00 1.00 H new ATOM 0 HZ1 LYS A 5 -7.260 18.234 -29.306 1.00 1.00 H new ATOM 0 HZ2 LYS A 5 -8.806 18.739 -29.795 1.00 1.00 H new ATOM 0 HZ3 LYS A 5 -7.998 19.562 -28.549 1.00 1.00 H new ATOM 85 N TYR A 6 -11.201 14.918 -26.242 1.00 1.00 N ATOM 86 CA TYR A 6 -11.077 13.496 -26.513 1.00 1.00 C ATOM 87 C TYR A 6 -9.835 13.206 -27.358 1.00 1.00 C ATOM 88 O TYR A 6 -9.694 13.731 -28.461 1.00 1.00 O ATOM 89 CB TYR A 6 -12.324 13.108 -27.310 1.00 1.00 C ATOM 90 CG TYR A 6 -13.631 13.250 -26.529 1.00 1.00 C ATOM 91 CD1 TYR A 6 -14.252 14.480 -26.439 1.00 1.00 C ATOM 92 CD2 TYR A 6 -14.190 12.149 -25.913 1.00 1.00 C ATOM 93 CE1 TYR A 6 -15.483 14.613 -25.704 1.00 1.00 C ATOM 94 CE2 TYR A 6 -15.421 12.282 -25.177 1.00 1.00 C ATOM 95 CZ TYR A 6 -16.006 13.508 -25.109 1.00 1.00 C ATOM 96 OH TYR A 6 -17.169 13.634 -24.414 1.00 1.00 O ATOM 0 H TYR A 6 -11.486 15.482 -27.043 1.00 1.00 H new ATOM 0 HA TYR A 6 -10.984 12.935 -25.583 1.00 1.00 H new ATOM 0 HB2 TYR A 6 -12.378 13.728 -28.205 1.00 1.00 H new ATOM 0 HB3 TYR A 6 -12.223 12.075 -27.644 1.00 1.00 H new ATOM 0 HD1 TYR A 6 -13.814 15.342 -26.920 1.00 1.00 H new ATOM 0 HD2 TYR A 6 -13.704 11.187 -25.983 1.00 1.00 H new ATOM 0 HE1 TYR A 6 -15.980 15.569 -25.627 1.00 1.00 H new ATOM 0 HE2 TYR A 6 -15.869 11.428 -24.691 1.00 1.00 H new ATOM 0 HH TYR A 6 -17.387 14.584 -24.311 1.00 1.00 H new ATOM 106 N TYR A 7 -8.966 12.370 -26.808 1.00 1.00 N ATOM 107 CA TYR A 7 -7.741 12.004 -27.497 1.00 1.00 C ATOM 108 C TYR A 7 -7.828 10.580 -28.051 1.00 1.00 C ATOM 109 O TYR A 7 -8.635 9.777 -27.584 1.00 1.00 O ATOM 110 CB TYR A 7 -6.631 12.063 -26.445 1.00 1.00 C ATOM 111 CG TYR A 7 -6.558 13.392 -25.692 1.00 1.00 C ATOM 112 CD1 TYR A 7 -6.493 14.580 -26.393 1.00 1.00 C ATOM 113 CD2 TYR A 7 -6.556 13.404 -24.312 1.00 1.00 C ATOM 114 CE1 TYR A 7 -6.424 15.831 -25.684 1.00 1.00 C ATOM 115 CE2 TYR A 7 -6.487 14.656 -23.603 1.00 1.00 C ATOM 116 CZ TYR A 7 -6.424 15.807 -24.324 1.00 1.00 C ATOM 117 OH TYR A 7 -6.359 16.990 -23.654 1.00 1.00 O ATOM 0 H TYR A 7 -9.087 11.936 -25.893 1.00 1.00 H new ATOM 0 HA TYR A 7 -7.557 12.675 -28.336 1.00 1.00 H new ATOM 0 HB2 TYR A 7 -6.783 11.258 -25.726 1.00 1.00 H new ATOM 0 HB3 TYR A 7 -5.673 11.880 -26.932 1.00 1.00 H new ATOM 0 HD1 TYR A 7 -6.494 14.571 -27.473 1.00 1.00 H new ATOM 0 HD2 TYR A 7 -6.606 12.475 -23.764 1.00 1.00 H new ATOM 0 HE1 TYR A 7 -6.373 16.767 -26.220 1.00 1.00 H new ATOM 0 HE2 TYR A 7 -6.485 14.680 -22.523 1.00 1.00 H new ATOM 0 HH TYR A 7 -6.530 16.836 -22.701 1.00 1.00 H new ATOM 127 N THR A 8 -6.986 10.310 -29.037 1.00 1.00 N ATOM 128 CA THR A 8 -6.957 8.998 -29.659 1.00 1.00 C ATOM 129 C THR A 8 -5.604 8.323 -29.420 1.00 1.00 C ATOM 130 O THR A 8 -4.631 8.986 -29.064 1.00 1.00 O ATOM 131 CB THR A 8 -7.298 9.169 -31.141 1.00 1.00 C ATOM 132 OG1 THR A 8 -6.303 10.068 -31.624 1.00 1.00 O ATOM 133 CG2 THR A 8 -8.614 9.918 -31.357 1.00 1.00 C ATOM 0 H THR A 8 -6.318 10.978 -29.421 1.00 1.00 H new ATOM 0 HA THR A 8 -7.698 8.334 -29.215 1.00 1.00 H new ATOM 0 HB THR A 8 -7.357 8.189 -31.615 1.00 1.00 H new ATOM 0 HG1 THR A 8 -6.447 10.233 -32.579 1.00 1.00 H new ATOM 0 HG21 THR A 8 -8.808 10.012 -32.425 1.00 1.00 H new ATOM 0 HG22 THR A 8 -9.428 9.366 -30.887 1.00 1.00 H new ATOM 0 HG23 THR A 8 -8.545 10.911 -30.912 1.00 1.00 H new ATOM 141 N LEU A 9 -5.587 7.015 -29.626 1.00 1.00 N ATOM 142 CA LEU A 9 -4.370 6.244 -29.438 1.00 1.00 C ATOM 143 C LEU A 9 -3.345 6.649 -30.500 1.00 1.00 C ATOM 144 O LEU A 9 -2.181 6.890 -30.184 1.00 1.00 O ATOM 145 CB LEU A 9 -4.681 4.746 -29.423 1.00 1.00 C ATOM 146 CG LEU A 9 -3.668 3.843 -30.131 1.00 1.00 C ATOM 147 CD1 LEU A 9 -2.300 3.915 -29.449 1.00 1.00 C ATOM 148 CD2 LEU A 9 -4.187 2.407 -30.226 1.00 1.00 C ATOM 0 H LEU A 9 -6.397 6.469 -29.921 1.00 1.00 H new ATOM 0 HA LEU A 9 -3.927 6.463 -28.467 1.00 1.00 H new ATOM 0 HB2 LEU A 9 -4.763 4.423 -28.385 1.00 1.00 H new ATOM 0 HB3 LEU A 9 -5.657 4.593 -29.883 1.00 1.00 H new ATOM 0 HG LEU A 9 -3.539 4.206 -31.150 1.00 1.00 H new ATOM 0 HD11 LEU A 9 -1.598 3.264 -29.971 1.00 1.00 H new ATOM 0 HD12 LEU A 9 -1.933 4.941 -29.477 1.00 1.00 H new ATOM 0 HD13 LEU A 9 -2.393 3.591 -28.412 1.00 1.00 H new ATOM 0 HD21 LEU A 9 -3.449 1.786 -30.733 1.00 1.00 H new ATOM 0 HD22 LEU A 9 -4.363 2.017 -29.224 1.00 1.00 H new ATOM 0 HD23 LEU A 9 -5.120 2.394 -30.789 1.00 1.00 H new ATOM 160 N GLU A 10 -3.816 6.710 -31.737 1.00 1.00 N ATOM 161 CA GLU A 10 -2.955 7.082 -32.847 1.00 1.00 C ATOM 162 C GLU A 10 -2.124 8.314 -32.485 1.00 1.00 C ATOM 163 O GLU A 10 -0.970 8.431 -32.893 1.00 1.00 O ATOM 164 CB GLU A 10 -3.772 7.325 -34.117 1.00 1.00 C ATOM 165 CG GLU A 10 -2.868 7.735 -35.281 1.00 1.00 C ATOM 166 CD GLU A 10 -2.999 6.755 -36.449 1.00 1.00 C ATOM 167 OE1 GLU A 10 -2.706 5.561 -36.223 1.00 1.00 O ATOM 168 OE2 GLU A 10 -3.390 7.222 -37.540 1.00 1.00 O ATOM 0 H GLU A 10 -4.782 6.508 -31.995 1.00 1.00 H new ATOM 0 HA GLU A 10 -2.274 6.255 -33.046 1.00 1.00 H new ATOM 0 HB2 GLU A 10 -4.321 6.420 -34.379 1.00 1.00 H new ATOM 0 HB3 GLU A 10 -4.512 8.105 -33.934 1.00 1.00 H new ATOM 0 HG2 GLU A 10 -3.130 8.739 -35.613 1.00 1.00 H new ATOM 0 HG3 GLU A 10 -1.831 7.770 -34.946 1.00 1.00 H new ATOM 175 N GLU A 11 -2.744 9.204 -31.723 1.00 1.00 N ATOM 176 CA GLU A 11 -2.076 10.423 -31.302 1.00 1.00 C ATOM 177 C GLU A 11 -1.135 10.135 -30.130 1.00 1.00 C ATOM 178 O GLU A 11 0.063 10.401 -30.213 1.00 1.00 O ATOM 179 CB GLU A 11 -3.093 11.506 -30.934 1.00 1.00 C ATOM 180 CG GLU A 11 -2.455 12.896 -30.984 1.00 1.00 C ATOM 181 CD GLU A 11 -1.917 13.203 -32.383 1.00 1.00 C ATOM 182 OE1 GLU A 11 -2.536 12.708 -33.350 1.00 1.00 O ATOM 183 OE2 GLU A 11 -0.900 13.926 -32.454 1.00 1.00 O ATOM 0 H GLU A 11 -3.702 9.105 -31.387 1.00 1.00 H new ATOM 0 HA GLU A 11 -1.482 10.796 -32.137 1.00 1.00 H new ATOM 0 HB2 GLU A 11 -3.938 11.465 -31.621 1.00 1.00 H new ATOM 0 HB3 GLU A 11 -3.485 11.317 -29.935 1.00 1.00 H new ATOM 0 HG2 GLU A 11 -3.191 13.648 -30.701 1.00 1.00 H new ATOM 0 HG3 GLU A 11 -1.644 12.954 -30.258 1.00 1.00 H new ATOM 190 N ILE A 12 -1.712 9.596 -29.067 1.00 1.00 N ATOM 191 CA ILE A 12 -0.940 9.269 -27.881 1.00 1.00 C ATOM 192 C ILE A 12 0.347 8.555 -28.296 1.00 1.00 C ATOM 193 O ILE A 12 1.421 8.846 -27.771 1.00 1.00 O ATOM 194 CB ILE A 12 -1.791 8.475 -26.889 1.00 1.00 C ATOM 195 CG1 ILE A 12 -2.981 9.304 -26.400 1.00 1.00 C ATOM 196 CG2 ILE A 12 -0.940 7.954 -25.729 1.00 1.00 C ATOM 197 CD1 ILE A 12 -4.177 8.407 -26.075 1.00 1.00 C ATOM 0 H ILE A 12 -2.706 9.377 -29.002 1.00 1.00 H new ATOM 0 HA ILE A 12 -0.646 10.178 -27.356 1.00 1.00 H new ATOM 0 HB ILE A 12 -2.196 7.605 -27.407 1.00 1.00 H new ATOM 0 HG12 ILE A 12 -2.695 9.870 -25.514 1.00 1.00 H new ATOM 0 HG13 ILE A 12 -3.262 10.029 -27.164 1.00 1.00 H new ATOM 0 HG21 ILE A 12 -1.570 7.393 -25.039 1.00 1.00 H new ATOM 0 HG22 ILE A 12 -0.157 7.302 -26.116 1.00 1.00 H new ATOM 0 HG23 ILE A 12 -0.486 8.795 -25.204 1.00 1.00 H new ATOM 0 HD11 ILE A 12 -5.009 9.021 -25.730 1.00 1.00 H new ATOM 0 HD12 ILE A 12 -4.476 7.861 -26.970 1.00 1.00 H new ATOM 0 HD13 ILE A 12 -3.899 7.699 -25.294 1.00 1.00 H new ATOM 209 N GLN A 13 0.198 7.633 -29.236 1.00 1.00 N ATOM 210 CA GLN A 13 1.335 6.874 -29.729 1.00 1.00 C ATOM 211 C GLN A 13 2.546 7.791 -29.910 1.00 1.00 C ATOM 212 O GLN A 13 3.683 7.376 -29.688 1.00 1.00 O ATOM 213 CB GLN A 13 0.991 6.156 -31.035 1.00 1.00 C ATOM 214 CG GLN A 13 1.367 4.675 -30.962 1.00 1.00 C ATOM 215 CD GLN A 13 1.869 4.169 -32.316 1.00 1.00 C ATOM 216 OE1 GLN A 13 1.280 4.413 -33.356 1.00 1.00 O ATOM 217 NE2 GLN A 13 2.987 3.453 -32.244 1.00 1.00 N ATOM 0 H GLN A 13 -0.694 7.394 -29.670 1.00 1.00 H new ATOM 0 HA GLN A 13 1.587 6.113 -28.990 1.00 1.00 H new ATOM 0 HB2 GLN A 13 -0.075 6.255 -31.238 1.00 1.00 H new ATOM 0 HB3 GLN A 13 1.518 6.628 -31.864 1.00 1.00 H new ATOM 0 HG2 GLN A 13 2.139 4.529 -30.206 1.00 1.00 H new ATOM 0 HG3 GLN A 13 0.501 4.091 -30.650 1.00 1.00 H new ATOM 0 HE21 GLN A 13 3.429 3.287 -31.340 1.00 1.00 H new ATOM 0 HE22 GLN A 13 3.403 3.070 -33.093 1.00 1.00 H new ATOM 226 N LYS A 14 2.262 9.022 -30.311 1.00 1.00 N ATOM 227 CA LYS A 14 3.315 10.001 -30.524 1.00 1.00 C ATOM 228 C LYS A 14 4.079 10.215 -29.216 1.00 1.00 C ATOM 229 O LYS A 14 5.278 9.949 -29.143 1.00 1.00 O ATOM 230 CB LYS A 14 2.737 11.288 -31.117 1.00 1.00 C ATOM 231 CG LYS A 14 2.339 11.088 -32.580 1.00 1.00 C ATOM 232 CD LYS A 14 3.575 10.946 -33.470 1.00 1.00 C ATOM 233 CE LYS A 14 3.346 11.599 -34.835 1.00 1.00 C ATOM 234 NZ LYS A 14 4.620 12.119 -35.381 1.00 1.00 N ATOM 0 H LYS A 14 1.318 9.364 -30.494 1.00 1.00 H new ATOM 0 HA LYS A 14 4.034 9.634 -31.257 1.00 1.00 H new ATOM 0 HB2 LYS A 14 1.867 11.600 -30.539 1.00 1.00 H new ATOM 0 HB3 LYS A 14 3.473 12.089 -31.043 1.00 1.00 H new ATOM 0 HG2 LYS A 14 1.716 10.199 -32.673 1.00 1.00 H new ATOM 0 HG3 LYS A 14 1.739 11.934 -32.916 1.00 1.00 H new ATOM 0 HD2 LYS A 14 4.434 11.407 -32.982 1.00 1.00 H new ATOM 0 HD3 LYS A 14 3.812 9.891 -33.603 1.00 1.00 H new ATOM 0 HE2 LYS A 14 2.917 10.872 -35.525 1.00 1.00 H new ATOM 0 HE3 LYS A 14 2.626 12.412 -34.740 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 4.447 12.559 -36.307 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 5.013 12.828 -34.729 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 5.296 11.336 -35.490 1.00 1.00 H new ATOM 248 N HIS A 15 3.354 10.693 -28.216 1.00 1.00 N ATOM 249 CA HIS A 15 3.949 10.946 -26.915 1.00 1.00 C ATOM 250 C HIS A 15 4.129 9.623 -26.167 1.00 1.00 C ATOM 251 O HIS A 15 3.511 9.405 -25.126 1.00 1.00 O ATOM 252 CB HIS A 15 3.122 11.964 -26.128 1.00 1.00 C ATOM 253 CG HIS A 15 2.574 13.092 -26.969 1.00 1.00 C ATOM 254 ND1 HIS A 15 1.572 13.108 -27.895 1.00 1.00 N flip ATOM 255 CD2 HIS A 15 3.066 14.384 -26.903 1.00 1.00 C flip ATOM 256 CE1 HIS A 15 1.458 14.343 -28.368 1.00 1.00 C flip ATOM 257 NE2 HIS A 15 2.384 15.135 -27.755 1.00 1.00 N flip ATOM 0 H HIS A 15 2.360 10.912 -28.280 1.00 1.00 H new ATOM 0 HA HIS A 15 4.937 11.389 -27.043 1.00 1.00 H new ATOM 0 HB2 HIS A 15 2.292 11.448 -25.646 1.00 1.00 H new ATOM 0 HB3 HIS A 15 3.740 12.383 -25.334 1.00 1.00 H new ATOM 0 HD2 HIS A 15 3.869 14.722 -26.265 1.00 1.00 H new ATOM 0 HE1 HIS A 15 0.749 14.667 -29.115 1.00 1.00 H new ATOM 0 HE2 HIS A 15 2.526 16.131 -27.923 1.00 1.00 H new ATOM 265 N LYS A 16 4.978 8.774 -26.727 1.00 1.00 N ATOM 266 CA LYS A 16 5.247 7.479 -26.127 1.00 1.00 C ATOM 267 C LYS A 16 6.727 7.393 -25.751 1.00 1.00 C ATOM 268 O LYS A 16 7.309 6.309 -25.747 1.00 1.00 O ATOM 269 CB LYS A 16 4.781 6.352 -27.052 1.00 1.00 C ATOM 270 CG LYS A 16 4.710 5.021 -26.302 1.00 1.00 C ATOM 271 CD LYS A 16 4.407 3.867 -27.260 1.00 1.00 C ATOM 272 CE LYS A 16 5.298 2.659 -26.963 1.00 1.00 C ATOM 273 NZ LYS A 16 5.109 1.610 -27.990 1.00 1.00 N ATOM 0 H LYS A 16 5.489 8.958 -27.590 1.00 1.00 H new ATOM 0 HA LYS A 16 4.676 7.361 -25.206 1.00 1.00 H new ATOM 0 HB2 LYS A 16 3.801 6.595 -27.462 1.00 1.00 H new ATOM 0 HB3 LYS A 16 5.466 6.262 -27.895 1.00 1.00 H new ATOM 0 HG2 LYS A 16 5.655 4.836 -25.792 1.00 1.00 H new ATOM 0 HG3 LYS A 16 3.938 5.073 -25.534 1.00 1.00 H new ATOM 0 HD2 LYS A 16 3.359 3.581 -27.170 1.00 1.00 H new ATOM 0 HD3 LYS A 16 4.562 4.193 -28.288 1.00 1.00 H new ATOM 0 HE2 LYS A 16 6.343 2.968 -26.938 1.00 1.00 H new ATOM 0 HE3 LYS A 16 5.061 2.258 -25.978 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 5.721 0.798 -27.773 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 4.115 1.303 -27.994 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 5.358 1.991 -28.925 1.00 1.00 H new ATOM 287 N ASP A 17 7.294 8.550 -25.443 1.00 1.00 N ATOM 288 CA ASP A 17 8.696 8.620 -25.066 1.00 1.00 C ATOM 289 C ASP A 17 8.816 9.262 -23.683 1.00 1.00 C ATOM 290 O ASP A 17 7.922 9.989 -23.252 1.00 1.00 O ATOM 291 CB ASP A 17 9.490 9.476 -26.055 1.00 1.00 C ATOM 292 CG ASP A 17 11.001 9.511 -25.812 1.00 1.00 C ATOM 293 OD1 ASP A 17 11.420 10.326 -24.963 1.00 1.00 O ATOM 294 OD2 ASP A 17 11.701 8.721 -26.481 1.00 1.00 O ATOM 0 H ASP A 17 6.808 9.447 -25.447 1.00 1.00 H new ATOM 0 HA ASP A 17 9.096 7.606 -25.064 1.00 1.00 H new ATOM 0 HB2 ASP A 17 9.308 9.103 -27.063 1.00 1.00 H new ATOM 0 HB3 ASP A 17 9.107 10.496 -26.018 1.00 1.00 H new ATOM 299 N SER A 18 9.929 8.970 -23.025 1.00 1.00 N ATOM 300 CA SER A 18 10.178 9.510 -21.699 1.00 1.00 C ATOM 301 C SER A 18 9.717 10.967 -21.632 1.00 1.00 C ATOM 302 O SER A 18 8.909 11.328 -20.777 1.00 1.00 O ATOM 303 CB SER A 18 11.659 9.405 -21.331 1.00 1.00 C ATOM 304 OG SER A 18 11.847 9.141 -19.943 1.00 1.00 O ATOM 0 H SER A 18 10.668 8.367 -23.386 1.00 1.00 H new ATOM 0 HA SER A 18 9.609 8.922 -20.978 1.00 1.00 H new ATOM 0 HB2 SER A 18 12.123 8.611 -21.917 1.00 1.00 H new ATOM 0 HB3 SER A 18 12.165 10.334 -21.595 1.00 1.00 H new ATOM 0 HG SER A 18 12.806 9.079 -19.749 1.00 1.00 H new ATOM 310 N LYS A 19 10.249 11.766 -22.546 1.00 1.00 N ATOM 311 CA LYS A 19 9.902 13.176 -22.601 1.00 1.00 C ATOM 312 C LYS A 19 8.408 13.340 -22.316 1.00 1.00 C ATOM 313 O LYS A 19 8.021 14.117 -21.444 1.00 1.00 O ATOM 314 CB LYS A 19 10.344 13.784 -23.934 1.00 1.00 C ATOM 315 CG LYS A 19 11.740 14.399 -23.820 1.00 1.00 C ATOM 316 CD LYS A 19 11.812 15.738 -24.556 1.00 1.00 C ATOM 317 CE LYS A 19 12.866 16.653 -23.929 1.00 1.00 C ATOM 318 NZ LYS A 19 14.209 16.340 -24.466 1.00 1.00 N ATOM 0 H LYS A 19 10.918 11.463 -23.254 1.00 1.00 H new ATOM 0 HA LYS A 19 10.437 13.731 -21.830 1.00 1.00 H new ATOM 0 HB2 LYS A 19 10.343 13.015 -24.706 1.00 1.00 H new ATOM 0 HB3 LYS A 19 9.631 14.548 -24.244 1.00 1.00 H new ATOM 0 HG2 LYS A 19 11.993 14.544 -22.770 1.00 1.00 H new ATOM 0 HG3 LYS A 19 12.478 13.712 -24.234 1.00 1.00 H new ATOM 0 HD2 LYS A 19 12.051 15.568 -25.606 1.00 1.00 H new ATOM 0 HD3 LYS A 19 10.838 16.226 -24.526 1.00 1.00 H new ATOM 0 HE2 LYS A 19 12.620 17.695 -24.134 1.00 1.00 H new ATOM 0 HE3 LYS A 19 12.864 16.532 -22.846 1.00 1.00 H new ATOM 0 HZ1 LYS A 19 14.913 16.970 -24.030 1.00 1.00 H new ATOM 0 HZ2 LYS A 19 14.448 15.351 -24.249 1.00 1.00 H new ATOM 0 HZ3 LYS A 19 14.212 16.479 -25.497 1.00 1.00 H new ATOM 332 N SER A 20 7.609 12.597 -23.066 1.00 1.00 N ATOM 333 CA SER A 20 6.166 12.651 -22.905 1.00 1.00 C ATOM 334 C SER A 20 5.582 11.237 -22.937 1.00 1.00 C ATOM 335 O SER A 20 5.313 10.697 -24.009 1.00 1.00 O ATOM 336 CB SER A 20 5.522 13.516 -23.990 1.00 1.00 C ATOM 337 OG SER A 20 6.016 14.852 -23.971 1.00 1.00 O ATOM 0 H SER A 20 7.933 11.953 -23.788 1.00 1.00 H new ATOM 0 HA SER A 20 5.947 13.106 -21.939 1.00 1.00 H new ATOM 0 HB2 SER A 20 5.713 13.073 -24.967 1.00 1.00 H new ATOM 0 HB3 SER A 20 4.441 13.527 -23.851 1.00 1.00 H new ATOM 0 HG SER A 20 5.582 15.371 -24.679 1.00 1.00 H new ATOM 343 N THR A 21 5.404 10.677 -21.750 1.00 1.00 N ATOM 344 CA THR A 21 4.857 9.336 -21.629 1.00 1.00 C ATOM 345 C THR A 21 3.398 9.394 -21.173 1.00 1.00 C ATOM 346 O THR A 21 3.086 10.005 -20.152 1.00 1.00 O ATOM 347 CB THR A 21 5.758 8.542 -20.681 1.00 1.00 C ATOM 348 OG1 THR A 21 5.251 7.212 -20.752 1.00 1.00 O ATOM 349 CG2 THR A 21 5.560 8.938 -19.216 1.00 1.00 C ATOM 0 H THR A 21 5.629 11.127 -20.863 1.00 1.00 H new ATOM 0 HA THR A 21 4.844 8.826 -22.592 1.00 1.00 H new ATOM 0 HB THR A 21 6.801 8.693 -20.960 1.00 1.00 H new ATOM 0 HG1 THR A 21 5.779 6.629 -20.168 1.00 1.00 H new ATOM 0 HG21 THR A 21 6.223 8.345 -18.586 1.00 1.00 H new ATOM 0 HG22 THR A 21 5.791 9.996 -19.091 1.00 1.00 H new ATOM 0 HG23 THR A 21 4.525 8.756 -18.926 1.00 1.00 H new ATOM 357 N TRP A 22 2.542 8.751 -21.954 1.00 1.00 N ATOM 358 CA TRP A 22 1.122 8.722 -21.644 1.00 1.00 C ATOM 359 C TRP A 22 0.705 7.260 -21.478 1.00 1.00 C ATOM 360 O TRP A 22 1.376 6.358 -21.978 1.00 1.00 O ATOM 361 CB TRP A 22 0.312 9.458 -22.713 1.00 1.00 C ATOM 362 CG TRP A 22 0.317 10.980 -22.560 1.00 1.00 C ATOM 363 CD1 TRP A 22 0.523 11.697 -21.447 1.00 1.00 C ATOM 364 CD2 TRP A 22 0.097 11.950 -23.606 1.00 1.00 C ATOM 365 NE1 TRP A 22 0.452 13.052 -21.697 1.00 1.00 N ATOM 366 CE2 TRP A 22 0.185 13.211 -23.052 1.00 1.00 C ATOM 367 CE3 TRP A 22 -0.168 11.768 -24.975 1.00 1.00 C ATOM 368 CZ2 TRP A 22 0.021 14.387 -23.793 1.00 1.00 C ATOM 369 CZ3 TRP A 22 -0.329 12.953 -25.702 1.00 1.00 C ATOM 370 CH2 TRP A 22 -0.244 14.230 -25.159 1.00 1.00 C ATOM 0 H TRP A 22 2.804 8.246 -22.801 1.00 1.00 H new ATOM 0 HA TRP A 22 0.919 9.250 -20.712 1.00 1.00 H new ATOM 0 HB2 TRP A 22 0.708 9.201 -23.695 1.00 1.00 H new ATOM 0 HB3 TRP A 22 -0.718 9.103 -22.682 1.00 1.00 H new ATOM 0 HD1 TRP A 22 0.720 11.268 -20.476 1.00 1.00 H new ATOM 0 HE1 TRP A 22 0.573 13.799 -21.014 1.00 1.00 H new ATOM 0 HE3 TRP A 22 -0.241 10.791 -25.429 1.00 1.00 H new ATOM 0 HZ2 TRP A 22 0.095 15.363 -23.336 1.00 1.00 H new ATOM 0 HZ3 TRP A 22 -0.534 12.870 -26.759 1.00 1.00 H new ATOM 0 HH2 TRP A 22 -0.382 15.097 -25.788 1.00 1.00 H new ATOM 381 N VAL A 23 -0.402 7.069 -20.774 1.00 1.00 N ATOM 382 CA VAL A 23 -0.917 5.732 -20.537 1.00 1.00 C ATOM 383 C VAL A 23 -2.438 5.795 -20.385 1.00 1.00 C ATOM 384 O VAL A 23 -2.964 6.703 -19.744 1.00 1.00 O ATOM 385 CB VAL A 23 -0.221 5.111 -19.324 1.00 1.00 C ATOM 386 CG1 VAL A 23 -0.883 3.789 -18.929 1.00 1.00 C ATOM 387 CG2 VAL A 23 1.273 4.918 -19.588 1.00 1.00 C ATOM 0 H VAL A 23 -0.956 7.819 -20.360 1.00 1.00 H new ATOM 0 HA VAL A 23 -0.702 5.084 -21.387 1.00 1.00 H new ATOM 0 HB VAL A 23 -0.327 5.802 -18.488 1.00 1.00 H new ATOM 0 HG11 VAL A 23 -0.369 3.369 -18.064 1.00 1.00 H new ATOM 0 HG12 VAL A 23 -1.929 3.966 -18.679 1.00 1.00 H new ATOM 0 HG13 VAL A 23 -0.823 3.089 -19.762 1.00 1.00 H new ATOM 0 HG21 VAL A 23 1.743 4.475 -18.710 1.00 1.00 H new ATOM 0 HG22 VAL A 23 1.409 4.258 -20.444 1.00 1.00 H new ATOM 0 HG23 VAL A 23 1.733 5.884 -19.798 1.00 1.00 H new ATOM 397 N ILE A 24 -3.102 4.819 -20.987 1.00 1.00 N ATOM 398 CA ILE A 24 -4.552 4.753 -20.927 1.00 1.00 C ATOM 399 C ILE A 24 -4.968 3.697 -19.901 1.00 1.00 C ATOM 400 O ILE A 24 -4.446 2.583 -19.904 1.00 1.00 O ATOM 401 CB ILE A 24 -5.136 4.518 -22.322 1.00 1.00 C ATOM 402 CG1 ILE A 24 -6.636 4.819 -22.346 1.00 1.00 C ATOM 403 CG2 ILE A 24 -4.827 3.103 -22.815 1.00 1.00 C ATOM 404 CD1 ILE A 24 -6.892 6.328 -22.334 1.00 1.00 C ATOM 0 H ILE A 24 -2.662 4.068 -21.519 1.00 1.00 H new ATOM 0 HA ILE A 24 -4.963 5.705 -20.591 1.00 1.00 H new ATOM 0 HB ILE A 24 -4.657 5.211 -23.014 1.00 1.00 H new ATOM 0 HG12 ILE A 24 -7.085 4.377 -23.236 1.00 1.00 H new ATOM 0 HG13 ILE A 24 -7.117 4.358 -21.483 1.00 1.00 H new ATOM 0 HG21 ILE A 24 -5.253 2.963 -23.808 1.00 1.00 H new ATOM 0 HG22 ILE A 24 -3.747 2.961 -22.860 1.00 1.00 H new ATOM 0 HG23 ILE A 24 -5.260 2.376 -22.128 1.00 1.00 H new ATOM 0 HD11 ILE A 24 -7.966 6.515 -22.352 1.00 1.00 H new ATOM 0 HD12 ILE A 24 -6.463 6.763 -21.431 1.00 1.00 H new ATOM 0 HD13 ILE A 24 -6.430 6.782 -23.211 1.00 1.00 H new ATOM 416 N LEU A 25 -5.905 4.083 -19.047 1.00 1.00 N ATOM 417 CA LEU A 25 -6.397 3.184 -18.018 1.00 1.00 C ATOM 418 C LEU A 25 -7.844 3.546 -17.680 1.00 1.00 C ATOM 419 O LEU A 25 -8.168 4.718 -17.496 1.00 1.00 O ATOM 420 CB LEU A 25 -5.462 3.193 -16.807 1.00 1.00 C ATOM 421 CG LEU A 25 -5.034 4.572 -16.300 1.00 1.00 C ATOM 422 CD1 LEU A 25 -4.684 4.525 -14.811 1.00 1.00 C ATOM 423 CD2 LEU A 25 -3.885 5.133 -17.141 1.00 1.00 C ATOM 0 H LEU A 25 -6.336 5.007 -19.047 1.00 1.00 H new ATOM 0 HA LEU A 25 -6.402 2.156 -18.381 1.00 1.00 H new ATOM 0 HB2 LEU A 25 -5.953 2.664 -15.990 1.00 1.00 H new ATOM 0 HB3 LEU A 25 -4.566 2.627 -17.061 1.00 1.00 H new ATOM 0 HG LEU A 25 -5.878 5.253 -16.411 1.00 1.00 H new ATOM 0 HD11 LEU A 25 -4.383 5.518 -14.476 1.00 1.00 H new ATOM 0 HD12 LEU A 25 -5.555 4.199 -14.243 1.00 1.00 H new ATOM 0 HD13 LEU A 25 -3.864 3.825 -14.652 1.00 1.00 H new ATOM 0 HD21 LEU A 25 -3.600 6.114 -16.760 1.00 1.00 H new ATOM 0 HD22 LEU A 25 -3.030 4.459 -17.085 1.00 1.00 H new ATOM 0 HD23 LEU A 25 -4.205 5.226 -18.179 1.00 1.00 H new ATOM 435 N HIS A 26 -8.677 2.517 -17.608 1.00 1.00 N ATOM 436 CA HIS A 26 -10.082 2.713 -17.295 1.00 1.00 C ATOM 437 C HIS A 26 -10.700 3.689 -18.297 1.00 1.00 C ATOM 438 O HIS A 26 -11.210 4.740 -17.912 1.00 1.00 O ATOM 439 CB HIS A 26 -10.258 3.162 -15.843 1.00 1.00 C ATOM 440 CG HIS A 26 -11.692 3.167 -15.371 1.00 1.00 C ATOM 441 ND1 HIS A 26 -12.553 4.227 -15.598 1.00 1.00 N ATOM 442 CD2 HIS A 26 -12.408 2.230 -14.684 1.00 1.00 C ATOM 443 CE1 HIS A 26 -13.730 3.931 -15.066 1.00 1.00 C ATOM 444 NE2 HIS A 26 -13.638 2.693 -14.500 1.00 1.00 N ATOM 0 H HIS A 26 -8.405 1.546 -17.761 1.00 1.00 H new ATOM 0 HA HIS A 26 -10.614 1.766 -17.388 1.00 1.00 H new ATOM 0 HB2 HIS A 26 -9.676 2.504 -15.197 1.00 1.00 H new ATOM 0 HB3 HIS A 26 -9.846 4.165 -15.731 1.00 1.00 H new ATOM 0 HD1 HIS A 26 -12.321 5.089 -16.091 1.00 1.00 H new ATOM 0 HD2 HIS A 26 -12.036 1.274 -14.347 1.00 1.00 H new ATOM 0 HE1 HIS A 26 -14.608 4.560 -15.078 1.00 1.00 H new ATOM 452 N HIS A 27 -10.635 3.307 -19.564 1.00 1.00 N ATOM 453 CA HIS A 27 -11.182 4.135 -20.625 1.00 1.00 C ATOM 454 C HIS A 27 -10.966 5.612 -20.286 1.00 1.00 C ATOM 455 O HIS A 27 -11.882 6.422 -20.413 1.00 1.00 O ATOM 456 CB HIS A 27 -12.651 3.794 -20.878 1.00 1.00 C ATOM 457 CG HIS A 27 -13.372 4.792 -21.753 1.00 1.00 C ATOM 458 ND1 HIS A 27 -13.080 5.256 -23.002 1.00 1.00 N flip ATOM 459 CD2 HIS A 27 -14.537 5.428 -21.362 1.00 1.00 C flip ATOM 460 CE1 HIS A 27 -14.017 6.128 -23.355 1.00 1.00 C flip ATOM 461 NE2 HIS A 27 -14.921 6.236 -22.340 1.00 1.00 N flip ATOM 0 H HIS A 27 -10.211 2.434 -19.880 1.00 1.00 H new ATOM 0 HA HIS A 27 -10.656 3.931 -21.558 1.00 1.00 H new ATOM 0 HB2 HIS A 27 -12.710 2.810 -21.343 1.00 1.00 H new ATOM 0 HB3 HIS A 27 -13.168 3.726 -19.921 1.00 1.00 H new ATOM 0 HD2 HIS A 27 -15.047 5.290 -20.420 1.00 1.00 H new ATOM 0 HE1 HIS A 27 -14.057 6.664 -24.292 1.00 1.00 H new ATOM 0 HE2 HIS A 27 -15.748 6.834 -22.334 1.00 1.00 H new ATOM 469 N LYS A 28 -9.748 5.916 -19.862 1.00 1.00 N ATOM 470 CA LYS A 28 -9.400 7.281 -19.504 1.00 1.00 C ATOM 471 C LYS A 28 -7.882 7.453 -19.586 1.00 1.00 C ATOM 472 O LYS A 28 -7.130 6.592 -19.131 1.00 1.00 O ATOM 473 CB LYS A 28 -9.987 7.643 -18.138 1.00 1.00 C ATOM 474 CG LYS A 28 -11.290 8.430 -18.293 1.00 1.00 C ATOM 475 CD LYS A 28 -12.346 7.944 -17.299 1.00 1.00 C ATOM 476 CE LYS A 28 -13.647 7.577 -18.016 1.00 1.00 C ATOM 477 NZ LYS A 28 -14.773 7.535 -17.057 1.00 1.00 N ATOM 0 H LYS A 28 -8.990 5.241 -19.758 1.00 1.00 H new ATOM 0 HA LYS A 28 -9.840 7.985 -20.211 1.00 1.00 H new ATOM 0 HB2 LYS A 28 -10.173 6.734 -17.565 1.00 1.00 H new ATOM 0 HB3 LYS A 28 -9.266 8.234 -17.573 1.00 1.00 H new ATOM 0 HG2 LYS A 28 -11.099 9.491 -18.136 1.00 1.00 H new ATOM 0 HG3 LYS A 28 -11.666 8.321 -19.310 1.00 1.00 H new ATOM 0 HD2 LYS A 28 -11.968 7.077 -16.757 1.00 1.00 H new ATOM 0 HD3 LYS A 28 -12.541 8.722 -16.561 1.00 1.00 H new ATOM 0 HE2 LYS A 28 -13.856 8.306 -18.799 1.00 1.00 H new ATOM 0 HE3 LYS A 28 -13.540 6.608 -18.503 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 -15.648 7.285 -17.560 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 -14.579 6.823 -16.324 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 -14.885 8.468 -16.612 1.00 1.00 H new ATOM 491 N VAL A 29 -7.476 8.572 -20.168 1.00 1.00 N ATOM 492 CA VAL A 29 -6.061 8.868 -20.315 1.00 1.00 C ATOM 493 C VAL A 29 -5.649 9.902 -19.265 1.00 1.00 C ATOM 494 O VAL A 29 -6.453 10.746 -18.871 1.00 1.00 O ATOM 495 CB VAL A 29 -5.767 9.321 -21.747 1.00 1.00 C ATOM 496 CG1 VAL A 29 -6.351 10.710 -22.014 1.00 1.00 C ATOM 497 CG2 VAL A 29 -4.265 9.293 -22.034 1.00 1.00 C ATOM 0 H VAL A 29 -8.102 9.284 -20.543 1.00 1.00 H new ATOM 0 HA VAL A 29 -5.464 7.973 -20.142 1.00 1.00 H new ATOM 0 HB VAL A 29 -6.250 8.619 -22.426 1.00 1.00 H new ATOM 0 HG11 VAL A 29 -6.128 11.008 -23.038 1.00 1.00 H new ATOM 0 HG12 VAL A 29 -7.431 10.684 -21.871 1.00 1.00 H new ATOM 0 HG13 VAL A 29 -5.911 11.429 -21.323 1.00 1.00 H new ATOM 0 HG21 VAL A 29 -4.084 9.619 -23.058 1.00 1.00 H new ATOM 0 HG22 VAL A 29 -3.750 9.961 -21.344 1.00 1.00 H new ATOM 0 HG23 VAL A 29 -3.889 8.278 -21.905 1.00 1.00 H new ATOM 507 N TYR A 30 -4.398 9.802 -18.842 1.00 1.00 N ATOM 508 CA TYR A 30 -3.869 10.718 -17.846 1.00 1.00 C ATOM 509 C TYR A 30 -2.430 11.119 -18.178 1.00 1.00 C ATOM 510 O TYR A 30 -1.827 10.573 -19.100 1.00 1.00 O ATOM 511 CB TYR A 30 -3.880 9.952 -16.521 1.00 1.00 C ATOM 512 CG TYR A 30 -5.280 9.702 -15.959 1.00 1.00 C ATOM 513 CD1 TYR A 30 -5.903 10.672 -15.200 1.00 1.00 C ATOM 514 CD2 TYR A 30 -5.921 8.505 -16.210 1.00 1.00 C ATOM 515 CE1 TYR A 30 -7.221 10.436 -14.671 1.00 1.00 C ATOM 516 CE2 TYR A 30 -7.239 8.269 -15.680 1.00 1.00 C ATOM 517 CZ TYR A 30 -7.824 9.247 -14.937 1.00 1.00 C ATOM 518 OH TYR A 30 -9.069 9.024 -14.437 1.00 1.00 O ATOM 0 H TYR A 30 -3.735 9.100 -19.171 1.00 1.00 H new ATOM 0 HA TYR A 30 -4.466 11.629 -17.807 1.00 1.00 H new ATOM 0 HB2 TYR A 30 -3.380 8.994 -16.663 1.00 1.00 H new ATOM 0 HB3 TYR A 30 -3.299 10.509 -15.786 1.00 1.00 H new ATOM 0 HD1 TYR A 30 -5.402 11.608 -15.003 1.00 1.00 H new ATOM 0 HD2 TYR A 30 -5.434 7.746 -16.804 1.00 1.00 H new ATOM 0 HE1 TYR A 30 -7.720 11.187 -14.076 1.00 1.00 H new ATOM 0 HE2 TYR A 30 -7.751 7.337 -15.868 1.00 1.00 H new ATOM 0 HH TYR A 30 -9.376 8.134 -14.708 1.00 1.00 H new ATOM 528 N ASP A 31 -1.923 12.071 -17.408 1.00 1.00 N ATOM 529 CA ASP A 31 -0.566 12.551 -17.608 1.00 1.00 C ATOM 530 C ASP A 31 0.386 11.771 -16.699 1.00 1.00 C ATOM 531 O ASP A 31 0.323 11.895 -15.477 1.00 1.00 O ATOM 532 CB ASP A 31 -0.449 14.035 -17.254 1.00 1.00 C ATOM 533 CG ASP A 31 0.719 14.768 -17.917 1.00 1.00 C ATOM 534 OD1 ASP A 31 1.750 14.101 -18.146 1.00 1.00 O ATOM 535 OD2 ASP A 31 0.553 15.979 -18.179 1.00 1.00 O ATOM 0 H ASP A 31 -2.427 12.523 -16.645 1.00 1.00 H new ATOM 0 HA ASP A 31 -0.310 12.410 -18.658 1.00 1.00 H new ATOM 0 HB2 ASP A 31 -1.377 14.534 -17.533 1.00 1.00 H new ATOM 0 HB3 ASP A 31 -0.350 14.128 -16.173 1.00 1.00 H new ATOM 540 N LEU A 32 1.246 10.986 -17.331 1.00 1.00 N ATOM 541 CA LEU A 32 2.210 10.187 -16.594 1.00 1.00 C ATOM 542 C LEU A 32 3.520 10.966 -16.466 1.00 1.00 C ATOM 543 O LEU A 32 4.189 10.897 -15.436 1.00 1.00 O ATOM 544 CB LEU A 32 2.374 8.812 -17.245 1.00 1.00 C ATOM 545 CG LEU A 32 1.281 7.788 -16.934 1.00 1.00 C ATOM 546 CD1 LEU A 32 1.234 7.472 -15.438 1.00 1.00 C ATOM 547 CD2 LEU A 32 -0.076 8.257 -17.463 1.00 1.00 C ATOM 0 H LEU A 32 1.295 10.886 -18.345 1.00 1.00 H new ATOM 0 HA LEU A 32 1.852 9.996 -15.582 1.00 1.00 H new ATOM 0 HB2 LEU A 32 2.421 8.947 -18.326 1.00 1.00 H new ATOM 0 HB3 LEU A 32 3.332 8.397 -16.934 1.00 1.00 H new ATOM 0 HG LEU A 32 1.526 6.860 -17.451 1.00 1.00 H new ATOM 0 HD11 LEU A 32 0.448 6.742 -15.245 1.00 1.00 H new ATOM 0 HD12 LEU A 32 2.194 7.064 -15.122 1.00 1.00 H new ATOM 0 HD13 LEU A 32 1.026 8.385 -14.880 1.00 1.00 H new ATOM 0 HD21 LEU A 32 -0.835 7.511 -17.229 1.00 1.00 H new ATOM 0 HD22 LEU A 32 -0.341 9.205 -16.994 1.00 1.00 H new ATOM 0 HD23 LEU A 32 -0.019 8.390 -18.543 1.00 1.00 H new ATOM 559 N THR A 33 3.848 11.691 -17.526 1.00 1.00 N ATOM 560 CA THR A 33 5.066 12.482 -17.544 1.00 1.00 C ATOM 561 C THR A 33 5.179 13.317 -16.267 1.00 1.00 C ATOM 562 O THR A 33 6.261 13.442 -15.696 1.00 1.00 O ATOM 563 CB THR A 33 5.063 13.324 -18.822 1.00 1.00 C ATOM 564 OG1 THR A 33 5.602 12.453 -19.812 1.00 1.00 O ATOM 565 CG2 THR A 33 6.061 14.482 -18.762 1.00 1.00 C ATOM 0 H THR A 33 3.291 11.747 -18.379 1.00 1.00 H new ATOM 0 HA THR A 33 5.951 11.846 -17.558 1.00 1.00 H new ATOM 0 HB THR A 33 4.061 13.717 -18.996 1.00 1.00 H new ATOM 0 HG1 THR A 33 6.556 12.311 -19.638 1.00 1.00 H new ATOM 0 HG21 THR A 33 6.019 15.047 -19.693 1.00 1.00 H new ATOM 0 HG22 THR A 33 5.809 15.137 -17.928 1.00 1.00 H new ATOM 0 HG23 THR A 33 7.068 14.088 -18.622 1.00 1.00 H new ATOM 573 N LYS A 34 4.045 13.867 -15.855 1.00 1.00 N ATOM 574 CA LYS A 34 4.003 14.686 -14.656 1.00 1.00 C ATOM 575 C LYS A 34 4.002 13.779 -13.424 1.00 1.00 C ATOM 576 O LYS A 34 4.488 14.168 -12.363 1.00 1.00 O ATOM 577 CB LYS A 34 2.818 15.653 -14.709 1.00 1.00 C ATOM 578 CG LYS A 34 3.193 17.013 -14.118 1.00 1.00 C ATOM 579 CD LYS A 34 2.070 18.031 -14.327 1.00 1.00 C ATOM 580 CE LYS A 34 2.419 19.008 -15.450 1.00 1.00 C ATOM 581 NZ LYS A 34 1.743 20.308 -15.235 1.00 1.00 N ATOM 0 H LYS A 34 3.149 13.761 -16.331 1.00 1.00 H new ATOM 0 HA LYS A 34 4.893 15.312 -14.591 1.00 1.00 H new ATOM 0 HB2 LYS A 34 2.493 15.779 -15.742 1.00 1.00 H new ATOM 0 HB3 LYS A 34 1.976 15.233 -14.158 1.00 1.00 H new ATOM 0 HG2 LYS A 34 3.398 16.906 -13.053 1.00 1.00 H new ATOM 0 HG3 LYS A 34 4.109 17.376 -14.584 1.00 1.00 H new ATOM 0 HD2 LYS A 34 1.143 17.511 -14.568 1.00 1.00 H new ATOM 0 HD3 LYS A 34 1.896 18.581 -13.402 1.00 1.00 H new ATOM 0 HE2 LYS A 34 3.498 19.155 -15.490 1.00 1.00 H new ATOM 0 HE3 LYS A 34 2.118 18.590 -16.411 1.00 1.00 H new ATOM 0 HZ1 LYS A 34 1.991 20.960 -16.007 1.00 1.00 H new ATOM 0 HZ2 LYS A 34 0.713 20.165 -15.220 1.00 1.00 H new ATOM 0 HZ3 LYS A 34 2.050 20.713 -14.328 1.00 1.00 H new ATOM 595 N PHE A 35 3.452 12.588 -13.606 1.00 1.00 N ATOM 596 CA PHE A 35 3.381 11.623 -12.522 1.00 1.00 C ATOM 597 C PHE A 35 4.498 10.583 -12.640 1.00 1.00 C ATOM 598 O PHE A 35 4.341 9.446 -12.199 1.00 1.00 O ATOM 599 CB PHE A 35 2.029 10.917 -12.639 1.00 1.00 C ATOM 600 CG PHE A 35 1.569 10.237 -11.348 1.00 1.00 C ATOM 601 CD1 PHE A 35 1.123 10.987 -10.305 1.00 1.00 C ATOM 602 CD2 PHE A 35 1.606 8.881 -11.243 1.00 1.00 C ATOM 603 CE1 PHE A 35 0.696 10.356 -9.107 1.00 1.00 C ATOM 604 CE2 PHE A 35 1.178 8.250 -10.045 1.00 1.00 C ATOM 605 CZ PHE A 35 0.733 9.001 -9.002 1.00 1.00 C ATOM 0 H PHE A 35 3.051 12.269 -14.488 1.00 1.00 H new ATOM 0 HA PHE A 35 3.493 12.131 -11.564 1.00 1.00 H new ATOM 0 HB2 PHE A 35 1.276 11.644 -12.943 1.00 1.00 H new ATOM 0 HB3 PHE A 35 2.088 10.170 -13.430 1.00 1.00 H new ATOM 0 HD1 PHE A 35 1.094 12.063 -10.388 1.00 1.00 H new ATOM 0 HD2 PHE A 35 1.961 8.285 -12.071 1.00 1.00 H new ATOM 0 HE1 PHE A 35 0.342 10.952 -8.279 1.00 1.00 H new ATOM 0 HE2 PHE A 35 1.206 7.174 -9.962 1.00 1.00 H new ATOM 0 HZ PHE A 35 0.409 8.521 -8.090 1.00 1.00 H new ATOM 615 N LEU A 36 5.601 11.011 -13.237 1.00 1.00 N ATOM 616 CA LEU A 36 6.743 10.132 -13.419 1.00 1.00 C ATOM 617 C LEU A 36 7.514 10.027 -12.102 1.00 1.00 C ATOM 618 O LEU A 36 7.882 8.931 -11.679 1.00 1.00 O ATOM 619 CB LEU A 36 7.598 10.601 -14.597 1.00 1.00 C ATOM 620 CG LEU A 36 7.204 10.057 -15.972 1.00 1.00 C ATOM 621 CD1 LEU A 36 8.091 10.646 -17.070 1.00 1.00 C ATOM 622 CD2 LEU A 36 7.222 8.527 -15.981 1.00 1.00 C ATOM 0 H LEU A 36 5.728 11.955 -13.601 1.00 1.00 H new ATOM 0 HA LEU A 36 6.413 9.126 -13.677 1.00 1.00 H new ATOM 0 HB2 LEU A 36 7.562 11.690 -14.635 1.00 1.00 H new ATOM 0 HB3 LEU A 36 8.634 10.323 -14.402 1.00 1.00 H new ATOM 0 HG LEU A 36 6.181 10.369 -16.182 1.00 1.00 H new ATOM 0 HD11 LEU A 36 7.790 10.243 -18.037 1.00 1.00 H new ATOM 0 HD12 LEU A 36 7.985 11.731 -17.080 1.00 1.00 H new ATOM 0 HD13 LEU A 36 9.131 10.385 -16.876 1.00 1.00 H new ATOM 0 HD21 LEU A 36 6.938 8.166 -16.969 1.00 1.00 H new ATOM 0 HD22 LEU A 36 8.224 8.173 -15.739 1.00 1.00 H new ATOM 0 HD23 LEU A 36 6.516 8.150 -15.241 1.00 1.00 H new ATOM 634 N GLU A 37 7.737 11.180 -11.490 1.00 1.00 N ATOM 635 CA GLU A 37 8.459 11.232 -10.230 1.00 1.00 C ATOM 636 C GLU A 37 7.481 11.407 -9.066 1.00 1.00 C ATOM 637 O GLU A 37 7.846 11.941 -8.019 1.00 1.00 O ATOM 638 CB GLU A 37 9.504 12.349 -10.241 1.00 1.00 C ATOM 639 CG GLU A 37 10.505 12.175 -9.098 1.00 1.00 C ATOM 640 CD GLU A 37 10.739 13.498 -8.367 1.00 1.00 C ATOM 641 OE1 GLU A 37 9.751 14.252 -8.227 1.00 1.00 O ATOM 642 OE2 GLU A 37 11.900 13.727 -7.964 1.00 1.00 O ATOM 0 H GLU A 37 7.430 12.086 -11.843 1.00 1.00 H new ATOM 0 HA GLU A 37 8.987 10.288 -10.097 1.00 1.00 H new ATOM 0 HB2 GLU A 37 10.032 12.348 -11.195 1.00 1.00 H new ATOM 0 HB3 GLU A 37 9.009 13.316 -10.151 1.00 1.00 H new ATOM 0 HG2 GLU A 37 10.134 11.428 -8.396 1.00 1.00 H new ATOM 0 HG3 GLU A 37 11.450 11.801 -9.492 1.00 1.00 H new ATOM 649 N GLU A 38 6.259 10.947 -9.287 1.00 1.00 N ATOM 650 CA GLU A 38 5.226 11.046 -8.269 1.00 1.00 C ATOM 651 C GLU A 38 4.640 9.664 -7.971 1.00 1.00 C ATOM 652 O GLU A 38 4.133 9.424 -6.877 1.00 1.00 O ATOM 653 CB GLU A 38 4.131 12.026 -8.693 1.00 1.00 C ATOM 654 CG GLU A 38 4.256 13.350 -7.935 1.00 1.00 C ATOM 655 CD GLU A 38 5.204 14.308 -8.659 1.00 1.00 C ATOM 656 OE1 GLU A 38 6.144 13.797 -9.305 1.00 1.00 O ATOM 657 OE2 GLU A 38 4.966 15.531 -8.551 1.00 1.00 O ATOM 0 H GLU A 38 5.960 10.504 -10.156 1.00 1.00 H new ATOM 0 HA GLU A 38 5.679 11.431 -7.356 1.00 1.00 H new ATOM 0 HB2 GLU A 38 4.197 12.209 -9.765 1.00 1.00 H new ATOM 0 HB3 GLU A 38 3.152 11.586 -8.505 1.00 1.00 H new ATOM 0 HG2 GLU A 38 3.273 13.811 -7.836 1.00 1.00 H new ATOM 0 HG3 GLU A 38 4.623 13.162 -6.926 1.00 1.00 H new ATOM 664 N HIS A 39 4.730 8.792 -8.964 1.00 1.00 N ATOM 665 CA HIS A 39 4.215 7.441 -8.822 1.00 1.00 C ATOM 666 C HIS A 39 5.103 6.652 -7.858 1.00 1.00 C ATOM 667 O HIS A 39 6.306 6.527 -8.078 1.00 1.00 O ATOM 668 CB HIS A 39 4.076 6.766 -10.188 1.00 1.00 C ATOM 669 CG HIS A 39 3.543 5.355 -10.125 1.00 1.00 C ATOM 670 ND1 HIS A 39 4.210 4.275 -10.677 1.00 1.00 N ATOM 671 CD2 HIS A 39 2.401 4.858 -9.568 1.00 1.00 C ATOM 672 CE1 HIS A 39 3.493 3.183 -10.458 1.00 1.00 C ATOM 673 NE2 HIS A 39 2.372 3.546 -9.771 1.00 1.00 N ATOM 0 H HIS A 39 5.152 8.995 -9.870 1.00 1.00 H new ATOM 0 HA HIS A 39 3.213 7.473 -8.394 1.00 1.00 H new ATOM 0 HB2 HIS A 39 3.414 7.366 -10.812 1.00 1.00 H new ATOM 0 HB3 HIS A 39 5.050 6.754 -10.676 1.00 1.00 H new ATOM 0 HD1 HIS A 39 5.103 4.314 -11.169 1.00 1.00 H new ATOM 0 HD2 HIS A 39 1.648 5.434 -9.050 1.00 1.00 H new ATOM 0 HE1 HIS A 39 3.751 2.181 -10.769 1.00 1.00 H new ATOM 681 N PRO A 40 4.458 6.126 -6.782 1.00 1.00 N ATOM 682 CA PRO A 40 5.176 5.353 -5.784 1.00 1.00 C ATOM 683 C PRO A 40 5.511 3.955 -6.309 1.00 1.00 C ATOM 684 O PRO A 40 5.705 3.025 -5.529 1.00 1.00 O ATOM 685 CB PRO A 40 4.260 5.327 -4.572 1.00 1.00 C ATOM 686 CG PRO A 40 2.875 5.686 -5.088 1.00 1.00 C ATOM 687 CD PRO A 40 3.033 6.254 -6.489 1.00 1.00 C ATOM 0 HA PRO A 40 6.141 5.791 -5.528 1.00 1.00 H new ATOM 0 HB2 PRO A 40 4.259 4.343 -4.104 1.00 1.00 H new ATOM 0 HB3 PRO A 40 4.592 6.039 -3.816 1.00 1.00 H new ATOM 0 HG2 PRO A 40 2.233 4.805 -5.103 1.00 1.00 H new ATOM 0 HG3 PRO A 40 2.400 6.415 -4.432 1.00 1.00 H new ATOM 0 HD2 PRO A 40 2.429 5.703 -7.210 1.00 1.00 H new ATOM 0 HD3 PRO A 40 2.711 7.295 -6.533 1.00 1.00 H new ATOM 695 N GLY A 41 5.568 3.852 -7.629 1.00 1.00 N ATOM 696 CA GLY A 41 5.876 2.584 -8.268 1.00 1.00 C ATOM 697 C GLY A 41 7.179 2.674 -9.066 1.00 1.00 C ATOM 698 O GLY A 41 7.903 1.688 -9.191 1.00 1.00 O ATOM 0 H GLY A 41 5.406 4.626 -8.273 1.00 1.00 H new ATOM 0 HA2 GLY A 41 5.961 1.803 -7.512 1.00 1.00 H new ATOM 0 HA3 GLY A 41 5.059 2.299 -8.930 1.00 1.00 H new ATOM 702 N GLY A 42 7.437 3.866 -9.584 1.00 1.00 N ATOM 703 CA GLY A 42 8.639 4.097 -10.366 1.00 1.00 C ATOM 704 C GLY A 42 8.308 4.788 -11.690 1.00 1.00 C ATOM 705 O GLY A 42 7.270 5.438 -11.813 1.00 1.00 O ATOM 0 H GLY A 42 6.834 4.682 -9.477 1.00 1.00 H new ATOM 0 HA2 GLY A 42 9.336 4.711 -9.796 1.00 1.00 H new ATOM 0 HA3 GLY A 42 9.138 3.148 -10.562 1.00 1.00 H new ATOM 709 N GLU A 43 9.208 4.625 -12.648 1.00 1.00 N ATOM 710 CA GLU A 43 9.024 5.225 -13.958 1.00 1.00 C ATOM 711 C GLU A 43 8.998 4.142 -15.039 1.00 1.00 C ATOM 712 O GLU A 43 8.127 4.147 -15.907 1.00 1.00 O ATOM 713 CB GLU A 43 10.114 6.260 -14.245 1.00 1.00 C ATOM 714 CG GLU A 43 10.020 6.771 -15.684 1.00 1.00 C ATOM 715 CD GLU A 43 10.710 8.129 -15.830 1.00 1.00 C ATOM 716 OE1 GLU A 43 10.540 8.954 -14.907 1.00 1.00 O ATOM 717 OE2 GLU A 43 11.391 8.311 -16.862 1.00 1.00 O ATOM 0 H GLU A 43 10.067 4.086 -12.543 1.00 1.00 H new ATOM 0 HA GLU A 43 8.065 5.743 -13.967 1.00 1.00 H new ATOM 0 HB2 GLU A 43 10.019 7.096 -13.552 1.00 1.00 H new ATOM 0 HB3 GLU A 43 11.095 5.816 -14.076 1.00 1.00 H new ATOM 0 HG2 GLU A 43 10.480 6.051 -16.360 1.00 1.00 H new ATOM 0 HG3 GLU A 43 8.973 6.858 -15.975 1.00 1.00 H new ATOM 724 N GLU A 44 9.965 3.240 -14.951 1.00 1.00 N ATOM 725 CA GLU A 44 10.064 2.153 -15.910 1.00 1.00 C ATOM 726 C GLU A 44 8.715 1.445 -16.050 1.00 1.00 C ATOM 727 O GLU A 44 8.273 1.157 -17.162 1.00 1.00 O ATOM 728 CB GLU A 44 11.162 1.167 -15.510 1.00 1.00 C ATOM 729 CG GLU A 44 12.087 0.868 -16.692 1.00 1.00 C ATOM 730 CD GLU A 44 13.282 0.019 -16.252 1.00 1.00 C ATOM 731 OE1 GLU A 44 13.696 0.184 -15.084 1.00 1.00 O ATOM 732 OE2 GLU A 44 13.754 -0.776 -17.093 1.00 1.00 O ATOM 0 H GLU A 44 10.687 3.240 -14.230 1.00 1.00 H new ATOM 0 HA GLU A 44 10.335 2.573 -16.879 1.00 1.00 H new ATOM 0 HB2 GLU A 44 11.742 1.579 -14.684 1.00 1.00 H new ATOM 0 HB3 GLU A 44 10.712 0.241 -15.153 1.00 1.00 H new ATOM 0 HG2 GLU A 44 11.531 0.345 -17.470 1.00 1.00 H new ATOM 0 HG3 GLU A 44 12.441 1.803 -17.127 1.00 1.00 H new ATOM 739 N VAL A 45 8.098 1.184 -14.907 1.00 1.00 N ATOM 740 CA VAL A 45 6.809 0.514 -14.888 1.00 1.00 C ATOM 741 C VAL A 45 5.855 1.226 -15.850 1.00 1.00 C ATOM 742 O VAL A 45 5.185 0.581 -16.656 1.00 1.00 O ATOM 743 CB VAL A 45 6.274 0.448 -13.456 1.00 1.00 C ATOM 744 CG1 VAL A 45 5.894 1.840 -12.948 1.00 1.00 C ATOM 745 CG2 VAL A 45 5.089 -0.515 -13.357 1.00 1.00 C ATOM 0 H VAL A 45 8.467 1.425 -13.987 1.00 1.00 H new ATOM 0 HA VAL A 45 6.909 -0.516 -15.231 1.00 1.00 H new ATOM 0 HB VAL A 45 7.071 0.065 -12.818 1.00 1.00 H new ATOM 0 HG11 VAL A 45 5.517 1.765 -11.928 1.00 1.00 H new ATOM 0 HG12 VAL A 45 6.772 2.485 -12.963 1.00 1.00 H new ATOM 0 HG13 VAL A 45 5.122 2.263 -13.590 1.00 1.00 H new ATOM 0 HG21 VAL A 45 4.728 -0.543 -12.329 1.00 1.00 H new ATOM 0 HG22 VAL A 45 4.288 -0.175 -14.014 1.00 1.00 H new ATOM 0 HG23 VAL A 45 5.406 -1.514 -13.658 1.00 1.00 H new ATOM 755 N LEU A 46 5.825 2.545 -15.734 1.00 1.00 N ATOM 756 CA LEU A 46 4.964 3.351 -16.583 1.00 1.00 C ATOM 757 C LEU A 46 5.436 3.238 -18.034 1.00 1.00 C ATOM 758 O LEU A 46 4.677 2.819 -18.907 1.00 1.00 O ATOM 759 CB LEU A 46 4.899 4.790 -16.068 1.00 1.00 C ATOM 760 CG LEU A 46 4.528 4.959 -14.593 1.00 1.00 C ATOM 761 CD1 LEU A 46 4.696 6.413 -14.149 1.00 1.00 C ATOM 762 CD2 LEU A 46 3.117 4.435 -14.320 1.00 1.00 C ATOM 0 H LEU A 46 6.383 3.076 -15.065 1.00 1.00 H new ATOM 0 HA LEU A 46 3.940 2.979 -16.550 1.00 1.00 H new ATOM 0 HB2 LEU A 46 5.869 5.258 -16.234 1.00 1.00 H new ATOM 0 HB3 LEU A 46 4.174 5.338 -16.670 1.00 1.00 H new ATOM 0 HG LEU A 46 5.215 4.359 -13.996 1.00 1.00 H new ATOM 0 HD11 LEU A 46 4.426 6.506 -13.097 1.00 1.00 H new ATOM 0 HD12 LEU A 46 5.734 6.717 -14.285 1.00 1.00 H new ATOM 0 HD13 LEU A 46 4.048 7.053 -14.748 1.00 1.00 H new ATOM 0 HD21 LEU A 46 2.878 4.567 -13.265 1.00 1.00 H new ATOM 0 HD22 LEU A 46 2.400 4.988 -14.926 1.00 1.00 H new ATOM 0 HD23 LEU A 46 3.067 3.376 -14.574 1.00 1.00 H new ATOM 774 N ARG A 47 6.687 3.619 -18.247 1.00 1.00 N ATOM 775 CA ARG A 47 7.269 3.566 -19.578 1.00 1.00 C ATOM 776 C ARG A 47 7.019 2.196 -20.212 1.00 1.00 C ATOM 777 O ARG A 47 6.627 2.109 -21.374 1.00 1.00 O ATOM 778 CB ARG A 47 8.775 3.832 -19.531 1.00 1.00 C ATOM 779 CG ARG A 47 9.065 5.269 -19.094 1.00 1.00 C ATOM 780 CD ARG A 47 10.440 5.725 -19.587 1.00 1.00 C ATOM 781 NE ARG A 47 11.503 4.946 -18.913 1.00 1.00 N ATOM 782 CZ ARG A 47 12.765 4.858 -19.356 1.00 1.00 C ATOM 783 NH1 ARG A 47 13.128 5.500 -20.475 1.00 1.00 N ATOM 784 NH2 ARG A 47 13.663 4.129 -18.680 1.00 1.00 N ATOM 0 H ARG A 47 7.314 3.966 -17.521 1.00 1.00 H new ATOM 0 HA ARG A 47 6.793 4.341 -20.180 1.00 1.00 H new ATOM 0 HB2 ARG A 47 9.249 3.135 -18.840 1.00 1.00 H new ATOM 0 HB3 ARG A 47 9.210 3.652 -20.514 1.00 1.00 H new ATOM 0 HG2 ARG A 47 8.295 5.934 -19.485 1.00 1.00 H new ATOM 0 HG3 ARG A 47 9.023 5.338 -18.007 1.00 1.00 H new ATOM 0 HD2 ARG A 47 10.510 5.594 -20.667 1.00 1.00 H new ATOM 0 HD3 ARG A 47 10.574 6.788 -19.386 1.00 1.00 H new ATOM 0 HE ARG A 47 11.260 4.445 -18.058 1.00 1.00 H new ATOM 0 HH11 ARG A 47 12.444 6.055 -20.989 1.00 1.00 H new ATOM 0 HH12 ARG A 47 14.088 5.433 -20.813 1.00 1.00 H new ATOM 0 HH21 ARG A 47 13.386 3.641 -17.828 1.00 1.00 H new ATOM 0 HH22 ARG A 47 14.623 4.062 -19.017 1.00 1.00 H new ATOM 798 N GLU A 48 7.257 1.161 -19.420 1.00 1.00 N ATOM 799 CA GLU A 48 7.062 -0.200 -19.889 1.00 1.00 C ATOM 800 C GLU A 48 5.791 -0.294 -20.736 1.00 1.00 C ATOM 801 O GLU A 48 5.785 -0.935 -21.785 1.00 1.00 O ATOM 802 CB GLU A 48 7.014 -1.183 -18.718 1.00 1.00 C ATOM 803 CG GLU A 48 7.053 -2.630 -19.213 1.00 1.00 C ATOM 804 CD GLU A 48 8.421 -2.969 -19.808 1.00 1.00 C ATOM 805 OE1 GLU A 48 8.671 -2.521 -20.948 1.00 1.00 O ATOM 806 OE2 GLU A 48 9.186 -3.668 -19.110 1.00 1.00 O ATOM 0 H GLU A 48 7.583 1.238 -18.457 1.00 1.00 H new ATOM 0 HA GLU A 48 7.912 -0.472 -20.514 1.00 1.00 H new ATOM 0 HB2 GLU A 48 7.857 -1.001 -18.051 1.00 1.00 H new ATOM 0 HB3 GLU A 48 6.106 -1.018 -18.137 1.00 1.00 H new ATOM 0 HG2 GLU A 48 6.834 -3.307 -18.387 1.00 1.00 H new ATOM 0 HG3 GLU A 48 6.278 -2.782 -19.964 1.00 1.00 H new ATOM 813 N GLN A 49 4.745 0.356 -20.248 1.00 1.00 N ATOM 814 CA GLN A 49 3.470 0.355 -20.946 1.00 1.00 C ATOM 815 C GLN A 49 3.061 1.784 -21.306 1.00 1.00 C ATOM 816 O GLN A 49 1.946 2.209 -21.006 1.00 1.00 O ATOM 817 CB GLN A 49 2.388 -0.332 -20.111 1.00 1.00 C ATOM 818 CG GLN A 49 2.700 -1.818 -19.923 1.00 1.00 C ATOM 819 CD GLN A 49 2.121 -2.649 -21.070 1.00 1.00 C ATOM 820 OE1 GLN A 49 1.315 -2.186 -21.861 1.00 1.00 O ATOM 821 NE2 GLN A 49 2.574 -3.898 -21.115 1.00 1.00 N ATOM 0 H GLN A 49 4.754 0.887 -19.377 1.00 1.00 H new ATOM 0 HA GLN A 49 3.584 -0.213 -21.870 1.00 1.00 H new ATOM 0 HB2 GLN A 49 2.312 0.153 -19.138 1.00 1.00 H new ATOM 0 HB3 GLN A 49 1.420 -0.219 -20.600 1.00 1.00 H new ATOM 0 HG2 GLN A 49 3.779 -1.963 -19.873 1.00 1.00 H new ATOM 0 HG3 GLN A 49 2.287 -2.163 -18.975 1.00 1.00 H new ATOM 0 HE21 GLN A 49 3.248 -4.221 -20.421 1.00 1.00 H new ATOM 0 HE22 GLN A 49 2.247 -4.533 -21.843 1.00 1.00 H new ATOM 830 N ALA A 50 3.984 2.487 -21.945 1.00 1.00 N ATOM 831 CA ALA A 50 3.734 3.860 -22.350 1.00 1.00 C ATOM 832 C ALA A 50 2.992 3.866 -23.688 1.00 1.00 C ATOM 833 O ALA A 50 3.230 3.008 -24.537 1.00 1.00 O ATOM 834 CB ALA A 50 5.058 4.624 -22.413 1.00 1.00 C ATOM 0 H ALA A 50 4.907 2.131 -22.193 1.00 1.00 H new ATOM 0 HA ALA A 50 3.101 4.366 -21.621 1.00 1.00 H new ATOM 0 HB1 ALA A 50 4.870 5.654 -22.717 1.00 1.00 H new ATOM 0 HB2 ALA A 50 5.530 4.616 -21.430 1.00 1.00 H new ATOM 0 HB3 ALA A 50 5.719 4.147 -23.137 1.00 1.00 H new ATOM 840 N GLY A 51 2.109 4.842 -23.835 1.00 1.00 N ATOM 841 CA GLY A 51 1.331 4.970 -25.056 1.00 1.00 C ATOM 842 C GLY A 51 0.729 3.625 -25.466 1.00 1.00 C ATOM 843 O GLY A 51 0.863 3.206 -26.615 1.00 1.00 O ATOM 0 H GLY A 51 1.915 5.552 -23.129 1.00 1.00 H new ATOM 0 HA2 GLY A 51 0.534 5.699 -24.909 1.00 1.00 H new ATOM 0 HA3 GLY A 51 1.965 5.348 -25.858 1.00 1.00 H new ATOM 847 N GLY A 52 0.079 2.986 -24.505 1.00 1.00 N ATOM 848 CA GLY A 52 -0.545 1.697 -24.752 1.00 1.00 C ATOM 849 C GLY A 52 -1.450 1.293 -23.586 1.00 1.00 C ATOM 850 O GLY A 52 -1.332 1.835 -22.488 1.00 1.00 O ATOM 0 H GLY A 52 -0.029 3.337 -23.553 1.00 1.00 H new ATOM 0 HA2 GLY A 52 -1.129 1.742 -25.671 1.00 1.00 H new ATOM 0 HA3 GLY A 52 0.224 0.939 -24.899 1.00 1.00 H new ATOM 854 N ASP A 53 -2.332 0.345 -23.864 1.00 1.00 N ATOM 855 CA ASP A 53 -3.256 -0.138 -22.853 1.00 1.00 C ATOM 856 C ASP A 53 -2.472 -0.856 -21.753 1.00 1.00 C ATOM 857 O ASP A 53 -1.677 -1.751 -22.036 1.00 1.00 O ATOM 858 CB ASP A 53 -4.255 -1.132 -23.448 1.00 1.00 C ATOM 859 CG ASP A 53 -3.746 -2.571 -23.559 1.00 1.00 C ATOM 860 OD1 ASP A 53 -2.930 -2.815 -24.474 1.00 1.00 O ATOM 861 OD2 ASP A 53 -4.185 -3.394 -22.728 1.00 1.00 O ATOM 0 H ASP A 53 -2.426 -0.102 -24.776 1.00 1.00 H new ATOM 0 HA ASP A 53 -3.797 0.720 -22.454 1.00 1.00 H new ATOM 0 HB2 ASP A 53 -5.157 -1.128 -22.836 1.00 1.00 H new ATOM 0 HB3 ASP A 53 -4.541 -0.786 -24.441 1.00 1.00 H new ATOM 866 N ALA A 54 -2.723 -0.438 -20.521 1.00 1.00 N ATOM 867 CA ALA A 54 -2.051 -1.030 -19.378 1.00 1.00 C ATOM 868 C ALA A 54 -3.096 -1.500 -18.364 1.00 1.00 C ATOM 869 O ALA A 54 -2.849 -1.480 -17.159 1.00 1.00 O ATOM 870 CB ALA A 54 -1.072 -0.018 -18.780 1.00 1.00 C ATOM 0 H ALA A 54 -3.383 0.304 -20.290 1.00 1.00 H new ATOM 0 HA ALA A 54 -1.472 -1.902 -19.683 1.00 1.00 H new ATOM 0 HB1 ALA A 54 -0.568 -0.463 -17.922 1.00 1.00 H new ATOM 0 HB2 ALA A 54 -0.333 0.261 -19.531 1.00 1.00 H new ATOM 0 HB3 ALA A 54 -1.617 0.870 -18.460 1.00 1.00 H new ATOM 876 N THR A 55 -4.240 -1.911 -18.889 1.00 1.00 N ATOM 877 CA THR A 55 -5.324 -2.385 -18.044 1.00 1.00 C ATOM 878 C THR A 55 -4.809 -3.431 -17.053 1.00 1.00 C ATOM 879 O THR A 55 -4.902 -3.241 -15.841 1.00 1.00 O ATOM 880 CB THR A 55 -6.438 -2.906 -18.954 1.00 1.00 C ATOM 881 OG1 THR A 55 -7.166 -1.736 -19.316 1.00 1.00 O ATOM 882 CG2 THR A 55 -7.459 -3.760 -18.198 1.00 1.00 C ATOM 0 H THR A 55 -4.441 -1.926 -19.889 1.00 1.00 H new ATOM 0 HA THR A 55 -5.733 -1.579 -17.434 1.00 1.00 H new ATOM 0 HB THR A 55 -6.002 -3.492 -19.763 1.00 1.00 H new ATOM 0 HG1 THR A 55 -7.145 -1.626 -20.290 1.00 1.00 H new ATOM 0 HG21 THR A 55 -8.228 -4.105 -18.889 1.00 1.00 H new ATOM 0 HG22 THR A 55 -6.957 -4.620 -17.755 1.00 1.00 H new ATOM 0 HG23 THR A 55 -7.920 -3.164 -17.410 1.00 1.00 H new ATOM 890 N GLU A 56 -4.278 -4.512 -17.605 1.00 1.00 N ATOM 891 CA GLU A 56 -3.749 -5.588 -16.785 1.00 1.00 C ATOM 892 C GLU A 56 -2.550 -5.095 -15.972 1.00 1.00 C ATOM 893 O GLU A 56 -2.443 -5.382 -14.781 1.00 1.00 O ATOM 894 CB GLU A 56 -3.370 -6.796 -17.643 1.00 1.00 C ATOM 895 CG GLU A 56 -3.529 -8.099 -16.857 1.00 1.00 C ATOM 896 CD GLU A 56 -2.169 -8.744 -16.582 1.00 1.00 C ATOM 897 OE1 GLU A 56 -1.539 -9.182 -17.568 1.00 1.00 O ATOM 898 OE2 GLU A 56 -1.791 -8.784 -15.391 1.00 1.00 O ATOM 0 H GLU A 56 -4.203 -4.666 -18.611 1.00 1.00 H new ATOM 0 HA GLU A 56 -4.527 -5.907 -16.092 1.00 1.00 H new ATOM 0 HB2 GLU A 56 -3.998 -6.825 -18.533 1.00 1.00 H new ATOM 0 HB3 GLU A 56 -2.339 -6.696 -17.983 1.00 1.00 H new ATOM 0 HG2 GLU A 56 -4.038 -7.899 -15.914 1.00 1.00 H new ATOM 0 HG3 GLU A 56 -4.157 -8.791 -17.417 1.00 1.00 H new ATOM 905 N ASN A 57 -1.678 -4.361 -16.648 1.00 1.00 N ATOM 906 CA ASN A 57 -0.491 -3.826 -16.004 1.00 1.00 C ATOM 907 C ASN A 57 -0.910 -2.864 -14.891 1.00 1.00 C ATOM 908 O ASN A 57 -0.114 -2.543 -14.010 1.00 1.00 O ATOM 909 CB ASN A 57 0.373 -3.049 -16.999 1.00 1.00 C ATOM 910 CG ASN A 57 0.923 -3.974 -18.087 1.00 1.00 C ATOM 911 OD1 ASN A 57 0.227 -4.380 -19.003 1.00 1.00 O ATOM 912 ND2 ASN A 57 2.207 -4.284 -17.935 1.00 1.00 N ATOM 0 H ASN A 57 -1.770 -4.124 -17.636 1.00 1.00 H new ATOM 0 HA ASN A 57 0.082 -4.663 -15.605 1.00 1.00 H new ATOM 0 HB2 ASN A 57 -0.217 -2.255 -17.456 1.00 1.00 H new ATOM 0 HB3 ASN A 57 1.198 -2.570 -16.473 1.00 1.00 H new ATOM 0 HD21 ASN A 57 2.667 -4.896 -18.609 1.00 1.00 H new ATOM 0 HD22 ASN A 57 2.732 -3.909 -17.145 1.00 1.00 H new ATOM 919 N PHE A 58 -2.160 -2.430 -14.966 1.00 1.00 N ATOM 920 CA PHE A 58 -2.695 -1.511 -13.976 1.00 1.00 C ATOM 921 C PHE A 58 -3.440 -2.266 -12.873 1.00 1.00 C ATOM 922 O PHE A 58 -3.184 -2.055 -11.689 1.00 1.00 O ATOM 923 CB PHE A 58 -3.678 -0.593 -14.703 1.00 1.00 C ATOM 924 CG PHE A 58 -4.579 0.219 -13.770 1.00 1.00 C ATOM 925 CD1 PHE A 58 -5.664 -0.365 -13.194 1.00 1.00 C ATOM 926 CD2 PHE A 58 -4.294 1.524 -13.515 1.00 1.00 C ATOM 927 CE1 PHE A 58 -6.500 0.388 -12.328 1.00 1.00 C ATOM 928 CE2 PHE A 58 -5.129 2.277 -12.648 1.00 1.00 C ATOM 929 CZ PHE A 58 -6.215 1.693 -12.073 1.00 1.00 C ATOM 0 H PHE A 58 -2.818 -2.698 -15.698 1.00 1.00 H new ATOM 0 HA PHE A 58 -1.883 -0.951 -13.511 1.00 1.00 H new ATOM 0 HB2 PHE A 58 -3.117 0.093 -15.337 1.00 1.00 H new ATOM 0 HB3 PHE A 58 -4.304 -1.196 -15.361 1.00 1.00 H new ATOM 0 HD1 PHE A 58 -5.890 -1.402 -13.395 1.00 1.00 H new ATOM 0 HD2 PHE A 58 -3.432 1.988 -13.972 1.00 1.00 H new ATOM 0 HE1 PHE A 58 -7.362 -0.076 -11.872 1.00 1.00 H new ATOM 0 HE2 PHE A 58 -4.902 3.313 -12.445 1.00 1.00 H new ATOM 0 HZ PHE A 58 -6.851 2.266 -11.414 1.00 1.00 H new ATOM 939 N GLU A 59 -4.348 -3.131 -13.302 1.00 1.00 N ATOM 940 CA GLU A 59 -5.133 -3.918 -12.366 1.00 1.00 C ATOM 941 C GLU A 59 -4.254 -4.977 -11.697 1.00 1.00 C ATOM 942 O GLU A 59 -4.585 -5.474 -10.622 1.00 1.00 O ATOM 943 CB GLU A 59 -6.333 -4.562 -13.063 1.00 1.00 C ATOM 944 CG GLU A 59 -5.880 -5.620 -14.071 1.00 1.00 C ATOM 945 CD GLU A 59 -6.373 -7.010 -13.665 1.00 1.00 C ATOM 946 OE1 GLU A 59 -5.783 -7.642 -12.776 1.00 1.00 O ATOM 947 OE2 GLU A 59 -7.409 -7.431 -14.308 1.00 1.00 O ATOM 0 H GLU A 59 -4.557 -3.304 -14.285 1.00 1.00 H new ATOM 0 HA GLU A 59 -5.518 -3.252 -11.594 1.00 1.00 H new ATOM 0 HB2 GLU A 59 -6.987 -5.019 -12.320 1.00 1.00 H new ATOM 0 HB3 GLU A 59 -6.916 -3.795 -13.573 1.00 1.00 H new ATOM 0 HG2 GLU A 59 -6.260 -5.370 -15.062 1.00 1.00 H new ATOM 0 HG3 GLU A 59 -4.792 -5.621 -14.138 1.00 1.00 H new ATOM 955 N ASP A 60 -3.152 -5.292 -12.361 1.00 1.00 N ATOM 956 CA ASP A 60 -2.224 -6.283 -11.844 1.00 1.00 C ATOM 957 C ASP A 60 -1.945 -5.993 -10.368 1.00 1.00 C ATOM 958 O ASP A 60 -2.043 -6.886 -9.528 1.00 1.00 O ATOM 959 CB ASP A 60 -0.892 -6.234 -12.595 1.00 1.00 C ATOM 960 CG ASP A 60 0.249 -7.014 -11.939 1.00 1.00 C ATOM 961 OD1 ASP A 60 -0.068 -7.894 -11.110 1.00 1.00 O ATOM 962 OD2 ASP A 60 1.413 -6.713 -12.281 1.00 1.00 O ATOM 0 H ASP A 60 -2.881 -4.878 -13.253 1.00 1.00 H new ATOM 0 HA ASP A 60 -2.675 -7.267 -11.973 1.00 1.00 H new ATOM 0 HB2 ASP A 60 -1.045 -6.622 -13.602 1.00 1.00 H new ATOM 0 HB3 ASP A 60 -0.588 -5.192 -12.698 1.00 1.00 H new ATOM 967 N VAL A 61 -1.604 -4.742 -10.098 1.00 1.00 N ATOM 968 CA VAL A 61 -1.311 -4.323 -8.738 1.00 1.00 C ATOM 969 C VAL A 61 -2.588 -3.790 -8.086 1.00 1.00 C ATOM 970 O VAL A 61 -2.526 -3.009 -7.138 1.00 1.00 O ATOM 971 CB VAL A 61 -0.169 -3.305 -8.738 1.00 1.00 C ATOM 972 CG1 VAL A 61 -0.665 -1.925 -9.175 1.00 1.00 C ATOM 973 CG2 VAL A 61 0.505 -3.236 -7.366 1.00 1.00 C ATOM 0 H VAL A 61 -1.524 -4.005 -10.798 1.00 1.00 H new ATOM 0 HA VAL A 61 -0.972 -5.171 -8.142 1.00 1.00 H new ATOM 0 HB VAL A 61 0.576 -3.638 -9.461 1.00 1.00 H new ATOM 0 HG11 VAL A 61 0.166 -1.220 -9.166 1.00 1.00 H new ATOM 0 HG12 VAL A 61 -1.076 -1.988 -10.182 1.00 1.00 H new ATOM 0 HG13 VAL A 61 -1.439 -1.582 -8.488 1.00 1.00 H new ATOM 0 HG21 VAL A 61 1.313 -2.505 -7.394 1.00 1.00 H new ATOM 0 HG22 VAL A 61 -0.227 -2.939 -6.615 1.00 1.00 H new ATOM 0 HG23 VAL A 61 0.910 -4.215 -7.110 1.00 1.00 H new ATOM 983 N GLY A 62 -3.716 -4.232 -8.621 1.00 1.00 N ATOM 984 CA GLY A 62 -5.006 -3.808 -8.104 1.00 1.00 C ATOM 985 C GLY A 62 -4.930 -2.390 -7.534 1.00 1.00 C ATOM 986 O GLY A 62 -5.151 -2.184 -6.341 1.00 1.00 O ATOM 0 H GLY A 62 -3.764 -4.880 -9.408 1.00 1.00 H new ATOM 0 HA2 GLY A 62 -5.750 -3.844 -8.900 1.00 1.00 H new ATOM 0 HA3 GLY A 62 -5.335 -4.499 -7.328 1.00 1.00 H new ATOM 990 N HIS A 63 -4.615 -1.450 -8.412 1.00 1.00 N ATOM 991 CA HIS A 63 -4.506 -0.058 -8.012 1.00 1.00 C ATOM 992 C HIS A 63 -5.617 0.277 -7.014 1.00 1.00 C ATOM 993 O HIS A 63 -6.777 -0.069 -7.231 1.00 1.00 O ATOM 994 CB HIS A 63 -4.511 0.862 -9.234 1.00 1.00 C ATOM 995 CG HIS A 63 -3.139 1.136 -9.802 1.00 1.00 C ATOM 996 ND1 HIS A 63 -2.583 0.378 -10.818 1.00 1.00 N ATOM 997 CD2 HIS A 63 -2.218 2.091 -9.487 1.00 1.00 C ATOM 998 CE1 HIS A 63 -1.381 0.864 -11.093 1.00 1.00 C ATOM 999 NE2 HIS A 63 -1.157 1.926 -10.266 1.00 1.00 N ATOM 0 H HIS A 63 -4.432 -1.625 -9.400 1.00 1.00 H new ATOM 0 HA HIS A 63 -3.552 0.106 -7.511 1.00 1.00 H new ATOM 0 HB2 HIS A 63 -5.132 0.415 -10.010 1.00 1.00 H new ATOM 0 HB3 HIS A 63 -4.976 1.809 -8.961 1.00 1.00 H new ATOM 0 HD1 HIS A 63 -3.024 -0.419 -11.277 1.00 1.00 H new ATOM 0 HD2 HIS A 63 -2.333 2.853 -8.731 1.00 1.00 H new ATOM 0 HE1 HIS A 63 -0.699 0.486 -11.840 1.00 1.00 H new ATOM 1007 N SER A 64 -5.222 0.947 -5.941 1.00 1.00 N ATOM 1008 CA SER A 64 -6.169 1.333 -4.909 1.00 1.00 C ATOM 1009 C SER A 64 -7.187 2.324 -5.477 1.00 1.00 C ATOM 1010 O SER A 64 -6.856 3.133 -6.342 1.00 1.00 O ATOM 1011 CB SER A 64 -5.452 1.942 -3.703 1.00 1.00 C ATOM 1012 OG SER A 64 -4.686 3.090 -4.061 1.00 1.00 O ATOM 0 H SER A 64 -4.259 1.232 -5.764 1.00 1.00 H new ATOM 0 HA SER A 64 -6.692 0.438 -4.573 1.00 1.00 H new ATOM 0 HB2 SER A 64 -6.186 2.218 -2.946 1.00 1.00 H new ATOM 0 HB3 SER A 64 -4.797 1.195 -3.255 1.00 1.00 H new ATOM 0 HG SER A 64 -3.771 2.991 -3.725 1.00 1.00 H new ATOM 1018 N THR A 65 -8.407 2.227 -4.968 1.00 1.00 N ATOM 1019 CA THR A 65 -9.476 3.105 -5.413 1.00 1.00 C ATOM 1020 C THR A 65 -9.078 4.569 -5.221 1.00 1.00 C ATOM 1021 O THR A 65 -9.424 5.423 -6.037 1.00 1.00 O ATOM 1022 CB THR A 65 -10.750 2.717 -4.661 1.00 1.00 C ATOM 1023 OG1 THR A 65 -10.397 2.851 -3.287 1.00 1.00 O ATOM 1024 CG2 THR A 65 -11.093 1.234 -4.815 1.00 1.00 C ATOM 0 H THR A 65 -8.679 1.554 -4.252 1.00 1.00 H new ATOM 0 HA THR A 65 -9.664 2.990 -6.480 1.00 1.00 H new ATOM 0 HB THR A 65 -11.582 3.321 -5.022 1.00 1.00 H new ATOM 0 HG1 THR A 65 -11.168 2.620 -2.727 1.00 1.00 H new ATOM 0 HG21 THR A 65 -12.006 1.012 -4.262 1.00 1.00 H new ATOM 0 HG22 THR A 65 -11.243 1.003 -5.870 1.00 1.00 H new ATOM 0 HG23 THR A 65 -10.275 0.629 -4.423 1.00 1.00 H new ATOM 1032 N ASP A 66 -8.357 4.816 -4.138 1.00 1.00 N ATOM 1033 CA ASP A 66 -7.908 6.163 -3.828 1.00 1.00 C ATOM 1034 C ASP A 66 -7.166 6.740 -5.036 1.00 1.00 C ATOM 1035 O ASP A 66 -7.105 7.956 -5.209 1.00 1.00 O ATOM 1036 CB ASP A 66 -6.946 6.164 -2.638 1.00 1.00 C ATOM 1037 CG ASP A 66 -5.729 5.250 -2.790 1.00 1.00 C ATOM 1038 OD1 ASP A 66 -4.840 5.617 -3.589 1.00 1.00 O ATOM 1039 OD2 ASP A 66 -5.714 4.205 -2.104 1.00 1.00 O ATOM 0 H ASP A 66 -8.072 4.106 -3.463 1.00 1.00 H new ATOM 0 HA ASP A 66 -8.785 6.762 -3.583 1.00 1.00 H new ATOM 0 HB2 ASP A 66 -6.598 7.183 -2.473 1.00 1.00 H new ATOM 0 HB3 ASP A 66 -7.496 5.866 -1.745 1.00 1.00 H new ATOM 1044 N ALA A 67 -6.621 5.839 -5.840 1.00 1.00 N ATOM 1045 CA ALA A 67 -5.886 6.242 -7.027 1.00 1.00 C ATOM 1046 C ALA A 67 -6.875 6.668 -8.114 1.00 1.00 C ATOM 1047 O ALA A 67 -6.649 7.657 -8.809 1.00 1.00 O ATOM 1048 CB ALA A 67 -4.979 5.097 -7.480 1.00 1.00 C ATOM 0 H ALA A 67 -6.674 4.831 -5.693 1.00 1.00 H new ATOM 0 HA ALA A 67 -5.246 7.097 -6.810 1.00 1.00 H new ATOM 0 HB1 ALA A 67 -4.428 5.400 -8.370 1.00 1.00 H new ATOM 0 HB2 ALA A 67 -4.276 4.853 -6.684 1.00 1.00 H new ATOM 0 HB3 ALA A 67 -5.586 4.221 -7.709 1.00 1.00 H new ATOM 1054 N ARG A 68 -7.949 5.900 -8.226 1.00 1.00 N ATOM 1055 CA ARG A 68 -8.972 6.186 -9.217 1.00 1.00 C ATOM 1056 C ARG A 68 -9.520 7.601 -9.021 1.00 1.00 C ATOM 1057 O ARG A 68 -10.070 8.191 -9.950 1.00 1.00 O ATOM 1058 CB ARG A 68 -10.124 5.183 -9.123 1.00 1.00 C ATOM 1059 CG ARG A 68 -9.638 3.761 -9.410 1.00 1.00 C ATOM 1060 CD ARG A 68 -10.720 2.945 -10.120 1.00 1.00 C ATOM 1061 NE ARG A 68 -11.589 2.280 -9.123 1.00 1.00 N ATOM 1062 CZ ARG A 68 -12.601 1.461 -9.436 1.00 1.00 C ATOM 1063 NH1 ARG A 68 -12.878 1.199 -10.721 1.00 1.00 N ATOM 1064 NH2 ARG A 68 -13.337 0.902 -8.465 1.00 1.00 N ATOM 0 H ARG A 68 -8.133 5.081 -7.647 1.00 1.00 H new ATOM 0 HA ARG A 68 -8.512 6.104 -10.202 1.00 1.00 H new ATOM 0 HB2 ARG A 68 -10.568 5.226 -8.128 1.00 1.00 H new ATOM 0 HB3 ARG A 68 -10.906 5.454 -9.833 1.00 1.00 H new ATOM 0 HG2 ARG A 68 -8.741 3.797 -10.028 1.00 1.00 H new ATOM 0 HG3 ARG A 68 -9.362 3.271 -8.476 1.00 1.00 H new ATOM 0 HD2 ARG A 68 -11.317 3.596 -10.759 1.00 1.00 H new ATOM 0 HD3 ARG A 68 -10.259 2.199 -10.767 1.00 1.00 H new ATOM 0 HE ARG A 68 -11.405 2.457 -8.135 1.00 1.00 H new ATOM 0 HH11 ARG A 68 -12.318 1.623 -11.460 1.00 1.00 H new ATOM 0 HH12 ARG A 68 -13.649 0.575 -10.960 1.00 1.00 H new ATOM 0 HH21 ARG A 68 -13.126 1.100 -7.487 1.00 1.00 H new ATOM 0 HH22 ARG A 68 -14.108 0.278 -8.704 1.00 1.00 H new ATOM 1078 N GLU A 69 -9.351 8.104 -7.807 1.00 1.00 N ATOM 1079 CA GLU A 69 -9.822 9.439 -7.478 1.00 1.00 C ATOM 1080 C GLU A 69 -8.671 10.444 -7.565 1.00 1.00 C ATOM 1081 O GLU A 69 -8.869 11.585 -7.980 1.00 1.00 O ATOM 1082 CB GLU A 69 -10.470 9.466 -6.093 1.00 1.00 C ATOM 1083 CG GLU A 69 -10.909 8.064 -5.665 1.00 1.00 C ATOM 1084 CD GLU A 69 -11.776 8.121 -4.406 1.00 1.00 C ATOM 1085 OE1 GLU A 69 -11.332 8.778 -3.440 1.00 1.00 O ATOM 1086 OE2 GLU A 69 -12.864 7.506 -4.438 1.00 1.00 O ATOM 0 H GLU A 69 -8.895 7.611 -7.039 1.00 1.00 H new ATOM 0 HA GLU A 69 -10.583 9.724 -8.204 1.00 1.00 H new ATOM 0 HB2 GLU A 69 -9.765 9.868 -5.366 1.00 1.00 H new ATOM 0 HB3 GLU A 69 -11.332 10.133 -6.104 1.00 1.00 H new ATOM 0 HG2 GLU A 69 -11.466 7.591 -6.474 1.00 1.00 H new ATOM 0 HG3 GLU A 69 -10.031 7.445 -5.479 1.00 1.00 H new ATOM 1093 N LEU A 70 -7.494 9.983 -7.167 1.00 1.00 N ATOM 1094 CA LEU A 70 -6.312 10.828 -7.195 1.00 1.00 C ATOM 1095 C LEU A 70 -6.023 11.246 -8.638 1.00 1.00 C ATOM 1096 O LEU A 70 -5.658 12.392 -8.895 1.00 1.00 O ATOM 1097 CB LEU A 70 -5.137 10.127 -6.510 1.00 1.00 C ATOM 1098 CG LEU A 70 -3.855 10.950 -6.368 1.00 1.00 C ATOM 1099 CD1 LEU A 70 -3.244 11.254 -7.738 1.00 1.00 C ATOM 1100 CD2 LEU A 70 -4.108 12.224 -5.559 1.00 1.00 C ATOM 0 H LEU A 70 -7.334 9.036 -6.824 1.00 1.00 H new ATOM 0 HA LEU A 70 -6.483 11.742 -6.627 1.00 1.00 H new ATOM 0 HB2 LEU A 70 -5.456 9.814 -5.516 1.00 1.00 H new ATOM 0 HB3 LEU A 70 -4.904 9.221 -7.070 1.00 1.00 H new ATOM 0 HG LEU A 70 -3.128 10.356 -5.815 1.00 1.00 H new ATOM 0 HD11 LEU A 70 -2.334 11.840 -7.609 1.00 1.00 H new ATOM 0 HD12 LEU A 70 -3.005 10.319 -8.245 1.00 1.00 H new ATOM 0 HD13 LEU A 70 -3.958 11.820 -8.337 1.00 1.00 H new ATOM 0 HD21 LEU A 70 -3.181 12.791 -5.473 1.00 1.00 H new ATOM 0 HD22 LEU A 70 -4.859 12.832 -6.063 1.00 1.00 H new ATOM 0 HD23 LEU A 70 -4.464 11.958 -4.564 1.00 1.00 H new ATOM 1112 N SER A 71 -6.196 10.293 -9.542 1.00 1.00 N ATOM 1113 CA SER A 71 -5.958 10.548 -10.953 1.00 1.00 C ATOM 1114 C SER A 71 -6.603 11.873 -11.361 1.00 1.00 C ATOM 1115 O SER A 71 -6.003 12.662 -12.090 1.00 1.00 O ATOM 1116 CB SER A 71 -6.497 9.406 -11.817 1.00 1.00 C ATOM 1117 OG SER A 71 -5.489 8.851 -12.658 1.00 1.00 O ATOM 0 H SER A 71 -6.498 9.343 -9.325 1.00 1.00 H new ATOM 0 HA SER A 71 -4.882 10.611 -11.113 1.00 1.00 H new ATOM 0 HB2 SER A 71 -6.903 8.625 -11.174 1.00 1.00 H new ATOM 0 HB3 SER A 71 -7.320 9.773 -12.431 1.00 1.00 H new ATOM 0 HG SER A 71 -5.576 9.221 -13.561 1.00 1.00 H new ATOM 1123 N LYS A 72 -7.818 12.078 -10.874 1.00 1.00 N ATOM 1124 CA LYS A 72 -8.552 13.295 -11.179 1.00 1.00 C ATOM 1125 C LYS A 72 -7.587 14.483 -11.171 1.00 1.00 C ATOM 1126 O LYS A 72 -7.602 15.306 -12.085 1.00 1.00 O ATOM 1127 CB LYS A 72 -9.738 13.459 -10.226 1.00 1.00 C ATOM 1128 CG LYS A 72 -10.981 13.941 -10.976 1.00 1.00 C ATOM 1129 CD LYS A 72 -12.029 14.488 -10.006 1.00 1.00 C ATOM 1130 CE LYS A 72 -13.433 14.399 -10.607 1.00 1.00 C ATOM 1131 NZ LYS A 72 -14.450 14.297 -9.537 1.00 1.00 N ATOM 0 H LYS A 72 -8.313 11.422 -10.270 1.00 1.00 H new ATOM 0 HA LYS A 72 -8.982 13.240 -12.179 1.00 1.00 H new ATOM 0 HB2 LYS A 72 -9.950 12.508 -9.737 1.00 1.00 H new ATOM 0 HB3 LYS A 72 -9.483 14.172 -9.442 1.00 1.00 H new ATOM 0 HG2 LYS A 72 -10.702 14.716 -11.690 1.00 1.00 H new ATOM 0 HG3 LYS A 72 -11.406 13.117 -11.550 1.00 1.00 H new ATOM 0 HD2 LYS A 72 -11.993 13.927 -9.072 1.00 1.00 H new ATOM 0 HD3 LYS A 72 -11.799 15.525 -9.763 1.00 1.00 H new ATOM 0 HE2 LYS A 72 -13.629 15.279 -11.220 1.00 1.00 H new ATOM 0 HE3 LYS A 72 -13.499 13.532 -11.264 1.00 1.00 H new ATOM 0 HZ1 LYS A 72 -15.397 14.237 -9.963 1.00 1.00 H new ATOM 0 HZ2 LYS A 72 -14.272 13.444 -8.969 1.00 1.00 H new ATOM 0 HZ3 LYS A 72 -14.397 15.137 -8.927 1.00 1.00 H new ATOM 1145 N THR A 73 -6.771 14.533 -10.128 1.00 1.00 N ATOM 1146 CA THR A 73 -5.801 15.606 -9.989 1.00 1.00 C ATOM 1147 C THR A 73 -4.925 15.699 -11.240 1.00 1.00 C ATOM 1148 O THR A 73 -4.814 16.764 -11.847 1.00 1.00 O ATOM 1149 CB THR A 73 -5.004 15.360 -8.706 1.00 1.00 C ATOM 1150 OG1 THR A 73 -5.949 15.582 -7.663 1.00 1.00 O ATOM 1151 CG2 THR A 73 -3.931 16.425 -8.470 1.00 1.00 C ATOM 0 H THR A 73 -6.762 13.848 -9.372 1.00 1.00 H new ATOM 0 HA THR A 73 -6.293 16.575 -9.902 1.00 1.00 H new ATOM 0 HB THR A 73 -4.535 14.377 -8.752 1.00 1.00 H new ATOM 0 HG1 THR A 73 -5.517 15.442 -6.795 1.00 1.00 H new ATOM 0 HG21 THR A 73 -3.395 16.203 -7.547 1.00 1.00 H new ATOM 0 HG22 THR A 73 -3.230 16.427 -9.305 1.00 1.00 H new ATOM 0 HG23 THR A 73 -4.402 17.405 -8.390 1.00 1.00 H new ATOM 1159 N TYR A 74 -4.325 14.571 -11.589 1.00 1.00 N ATOM 1160 CA TYR A 74 -3.462 14.511 -12.756 1.00 1.00 C ATOM 1161 C TYR A 74 -4.249 14.088 -13.998 1.00 1.00 C ATOM 1162 O TYR A 74 -3.822 13.202 -14.736 1.00 1.00 O ATOM 1163 CB TYR A 74 -2.408 13.447 -12.448 1.00 1.00 C ATOM 1164 CG TYR A 74 -1.605 13.717 -11.174 1.00 1.00 C ATOM 1165 CD1 TYR A 74 -2.123 13.363 -9.944 1.00 1.00 C ATOM 1166 CD2 TYR A 74 -0.363 14.314 -11.254 1.00 1.00 C ATOM 1167 CE1 TYR A 74 -1.367 13.617 -8.745 1.00 1.00 C ATOM 1168 CE2 TYR A 74 0.392 14.568 -10.055 1.00 1.00 C ATOM 1169 CZ TYR A 74 -0.147 14.207 -8.859 1.00 1.00 C ATOM 1170 OH TYR A 74 0.567 14.447 -7.727 1.00 1.00 O ATOM 0 H TYR A 74 -4.420 13.690 -11.083 1.00 1.00 H new ATOM 0 HA TYR A 74 -3.022 15.488 -12.958 1.00 1.00 H new ATOM 0 HB2 TYR A 74 -2.900 12.479 -12.357 1.00 1.00 H new ATOM 0 HB3 TYR A 74 -1.720 13.377 -13.291 1.00 1.00 H new ATOM 0 HD1 TYR A 74 -3.095 12.896 -9.881 1.00 1.00 H new ATOM 0 HD2 TYR A 74 0.042 14.591 -12.216 1.00 1.00 H new ATOM 0 HE1 TYR A 74 -1.760 13.345 -7.777 1.00 1.00 H new ATOM 0 HE2 TYR A 74 1.365 15.035 -10.104 1.00 1.00 H new ATOM 0 HH TYR A 74 0.347 13.771 -7.052 1.00 1.00 H new ATOM 1180 N ILE A 75 -5.385 14.742 -14.191 1.00 1.00 N ATOM 1181 CA ILE A 75 -6.236 14.444 -15.331 1.00 1.00 C ATOM 1182 C ILE A 75 -5.720 15.200 -16.557 1.00 1.00 C ATOM 1183 O ILE A 75 -5.071 16.237 -16.425 1.00 1.00 O ATOM 1184 CB ILE A 75 -7.700 14.738 -14.998 1.00 1.00 C ATOM 1185 CG1 ILE A 75 -8.635 14.082 -16.016 1.00 1.00 C ATOM 1186 CG2 ILE A 75 -7.945 16.244 -14.882 1.00 1.00 C ATOM 1187 CD1 ILE A 75 -10.084 14.105 -15.523 1.00 1.00 C ATOM 0 H ILE A 75 -5.736 15.477 -13.577 1.00 1.00 H new ATOM 0 HA ILE A 75 -6.195 13.381 -15.570 1.00 1.00 H new ATOM 0 HB ILE A 75 -7.924 14.300 -14.025 1.00 1.00 H new ATOM 0 HG12 ILE A 75 -8.563 14.604 -16.970 1.00 1.00 H new ATOM 0 HG13 ILE A 75 -8.323 13.052 -16.191 1.00 1.00 H new ATOM 0 HG21 ILE A 75 -8.993 16.425 -14.645 1.00 1.00 H new ATOM 0 HG22 ILE A 75 -7.318 16.655 -14.091 1.00 1.00 H new ATOM 0 HG23 ILE A 75 -7.699 16.727 -15.828 1.00 1.00 H new ATOM 0 HD11 ILE A 75 -10.728 13.633 -16.265 1.00 1.00 H new ATOM 0 HD12 ILE A 75 -10.156 13.562 -14.581 1.00 1.00 H new ATOM 0 HD13 ILE A 75 -10.401 15.137 -15.372 1.00 1.00 H new ATOM 1199 N ILE A 76 -6.029 14.652 -17.724 1.00 1.00 N ATOM 1200 CA ILE A 76 -5.605 15.262 -18.972 1.00 1.00 C ATOM 1201 C ILE A 76 -6.810 15.395 -19.905 1.00 1.00 C ATOM 1202 O ILE A 76 -7.037 16.456 -20.485 1.00 1.00 O ATOM 1203 CB ILE A 76 -4.439 14.480 -19.582 1.00 1.00 C ATOM 1204 CG1 ILE A 76 -3.951 15.141 -20.873 1.00 1.00 C ATOM 1205 CG2 ILE A 76 -4.816 13.013 -19.796 1.00 1.00 C ATOM 1206 CD1 ILE A 76 -2.635 14.519 -21.344 1.00 1.00 C ATOM 0 H ILE A 76 -6.568 13.793 -17.831 1.00 1.00 H new ATOM 0 HA ILE A 76 -5.226 16.268 -18.794 1.00 1.00 H new ATOM 0 HB ILE A 76 -3.608 14.500 -18.877 1.00 1.00 H new ATOM 0 HG12 ILE A 76 -4.708 15.032 -21.650 1.00 1.00 H new ATOM 0 HG13 ILE A 76 -3.814 16.210 -20.709 1.00 1.00 H new ATOM 0 HG21 ILE A 76 -3.970 12.480 -20.230 1.00 1.00 H new ATOM 0 HG22 ILE A 76 -5.077 12.561 -18.839 1.00 1.00 H new ATOM 0 HG23 ILE A 76 -5.669 12.951 -20.471 1.00 1.00 H new ATOM 0 HD11 ILE A 76 -2.310 15.007 -22.263 1.00 1.00 H new ATOM 0 HD12 ILE A 76 -1.874 14.651 -20.575 1.00 1.00 H new ATOM 0 HD13 ILE A 76 -2.782 13.455 -21.530 1.00 1.00 H new ATOM 1218 N GLY A 77 -7.552 14.304 -20.021 1.00 1.00 N ATOM 1219 CA GLY A 77 -8.729 14.285 -20.873 1.00 1.00 C ATOM 1220 C GLY A 77 -9.345 12.885 -20.927 1.00 1.00 C ATOM 1221 O GLY A 77 -9.135 12.076 -20.025 1.00 1.00 O ATOM 0 H GLY A 77 -7.361 13.426 -19.539 1.00 1.00 H new ATOM 0 HA2 GLY A 77 -9.465 14.996 -20.498 1.00 1.00 H new ATOM 0 HA3 GLY A 77 -8.459 14.606 -21.879 1.00 1.00 H new ATOM 1225 N GLU A 78 -10.092 12.644 -21.994 1.00 1.00 N ATOM 1226 CA GLU A 78 -10.740 11.356 -22.177 1.00 1.00 C ATOM 1227 C GLU A 78 -10.200 10.665 -23.431 1.00 1.00 C ATOM 1228 O GLU A 78 -9.534 11.292 -24.253 1.00 1.00 O ATOM 1229 CB GLU A 78 -12.260 11.512 -22.248 1.00 1.00 C ATOM 1230 CG GLU A 78 -12.963 10.390 -21.481 1.00 1.00 C ATOM 1231 CD GLU A 78 -14.313 10.861 -20.935 1.00 1.00 C ATOM 1232 OE1 GLU A 78 -14.344 11.988 -20.394 1.00 1.00 O ATOM 1233 OE2 GLU A 78 -15.282 10.085 -21.072 1.00 1.00 O ATOM 0 H GLU A 78 -10.263 13.318 -22.740 1.00 1.00 H new ATOM 0 HA GLU A 78 -10.513 10.730 -21.314 1.00 1.00 H new ATOM 0 HB2 GLU A 78 -12.550 12.478 -21.834 1.00 1.00 H new ATOM 0 HB3 GLU A 78 -12.582 11.503 -23.289 1.00 1.00 H new ATOM 0 HG2 GLU A 78 -13.111 9.533 -22.138 1.00 1.00 H new ATOM 0 HG3 GLU A 78 -12.331 10.055 -20.659 1.00 1.00 H new ATOM 1240 N LEU A 79 -10.509 9.380 -23.539 1.00 1.00 N ATOM 1241 CA LEU A 79 -10.063 8.597 -24.679 1.00 1.00 C ATOM 1242 C LEU A 79 -11.215 8.453 -25.675 1.00 1.00 C ATOM 1243 O LEU A 79 -12.315 8.047 -25.303 1.00 1.00 O ATOM 1244 CB LEU A 79 -9.480 7.260 -24.215 1.00 1.00 C ATOM 1245 CG LEU A 79 -9.331 6.184 -25.293 1.00 1.00 C ATOM 1246 CD1 LEU A 79 -7.958 6.264 -25.962 1.00 1.00 C ATOM 1247 CD2 LEU A 79 -9.610 4.793 -24.720 1.00 1.00 C ATOM 0 H LEU A 79 -11.062 8.863 -22.856 1.00 1.00 H new ATOM 0 HA LEU A 79 -9.253 9.108 -25.200 1.00 1.00 H new ATOM 0 HB2 LEU A 79 -8.499 7.446 -23.777 1.00 1.00 H new ATOM 0 HB3 LEU A 79 -10.114 6.866 -23.421 1.00 1.00 H new ATOM 0 HG LEU A 79 -10.076 6.369 -26.067 1.00 1.00 H new ATOM 0 HD11 LEU A 79 -7.879 5.488 -26.724 1.00 1.00 H new ATOM 0 HD12 LEU A 79 -7.836 7.243 -26.426 1.00 1.00 H new ATOM 0 HD13 LEU A 79 -7.179 6.118 -25.213 1.00 1.00 H new ATOM 0 HD21 LEU A 79 -9.497 4.046 -25.506 1.00 1.00 H new ATOM 0 HD22 LEU A 79 -8.905 4.583 -23.916 1.00 1.00 H new ATOM 0 HD23 LEU A 79 -10.627 4.758 -24.329 1.00 1.00 H new ATOM 1259 N HIS A 80 -10.924 8.794 -26.922 1.00 1.00 N ATOM 1260 CA HIS A 80 -11.922 8.708 -27.974 1.00 1.00 C ATOM 1261 C HIS A 80 -12.769 7.449 -27.776 1.00 1.00 C ATOM 1262 O HIS A 80 -12.267 6.424 -27.316 1.00 1.00 O ATOM 1263 CB HIS A 80 -11.264 8.769 -29.354 1.00 1.00 C ATOM 1264 CG HIS A 80 -12.150 9.345 -30.432 1.00 1.00 C ATOM 1265 ND1 HIS A 80 -12.701 8.574 -31.440 1.00 1.00 N ATOM 1266 CD2 HIS A 80 -12.574 10.623 -30.648 1.00 1.00 C ATOM 1267 CE1 HIS A 80 -13.423 9.363 -32.223 1.00 1.00 C ATOM 1268 NE2 HIS A 80 -13.342 10.633 -31.731 1.00 1.00 N ATOM 0 H HIS A 80 -10.011 9.130 -27.227 1.00 1.00 H new ATOM 0 HA HIS A 80 -12.591 9.567 -27.917 1.00 1.00 H new ATOM 0 HB2 HIS A 80 -10.356 9.368 -29.286 1.00 1.00 H new ATOM 0 HB3 HIS A 80 -10.961 7.763 -29.646 1.00 1.00 H new ATOM 0 HD2 HIS A 80 -12.327 11.481 -30.041 1.00 1.00 H new ATOM 0 HE1 HIS A 80 -13.978 9.055 -33.097 1.00 1.00 H new ATOM 0 HE2 HIS A 80 -13.796 11.455 -32.129 1.00 1.00 H new ATOM 1276 N PRO A 81 -14.073 7.570 -28.143 1.00 1.00 N ATOM 1277 CA PRO A 81 -14.994 6.454 -28.010 1.00 1.00 C ATOM 1278 C PRO A 81 -14.749 5.409 -29.100 1.00 1.00 C ATOM 1279 O PRO A 81 -15.023 4.226 -28.903 1.00 1.00 O ATOM 1280 CB PRO A 81 -16.379 7.077 -28.085 1.00 1.00 C ATOM 1281 CG PRO A 81 -16.188 8.445 -28.719 1.00 1.00 C ATOM 1282 CD PRO A 81 -14.703 8.768 -28.691 1.00 1.00 C ATOM 0 HA PRO A 81 -14.866 5.911 -27.074 1.00 1.00 H new ATOM 0 HB2 PRO A 81 -17.052 6.461 -28.681 1.00 1.00 H new ATOM 0 HB3 PRO A 81 -16.822 7.165 -27.093 1.00 1.00 H new ATOM 0 HG2 PRO A 81 -16.560 8.446 -29.744 1.00 1.00 H new ATOM 0 HG3 PRO A 81 -16.753 9.201 -28.174 1.00 1.00 H new ATOM 0 HD2 PRO A 81 -14.327 8.991 -29.690 1.00 1.00 H new ATOM 0 HD3 PRO A 81 -14.499 9.641 -28.071 1.00 1.00 H new ATOM 1290 N ASP A 82 -14.236 5.883 -30.226 1.00 1.00 N ATOM 1291 CA ASP A 82 -13.952 5.003 -31.347 1.00 1.00 C ATOM 1292 C ASP A 82 -12.616 4.296 -31.108 1.00 1.00 C ATOM 1293 O ASP A 82 -12.337 3.267 -31.721 1.00 1.00 O ATOM 1294 CB ASP A 82 -13.841 5.794 -32.652 1.00 1.00 C ATOM 1295 CG ASP A 82 -14.371 5.072 -33.893 1.00 1.00 C ATOM 1296 OD1 ASP A 82 -15.588 4.787 -33.906 1.00 1.00 O ATOM 1297 OD2 ASP A 82 -13.548 4.820 -34.799 1.00 1.00 O ATOM 0 H ASP A 82 -14.010 6.865 -30.386 1.00 1.00 H new ATOM 0 HA ASP A 82 -14.768 4.285 -31.428 1.00 1.00 H new ATOM 0 HB2 ASP A 82 -14.383 6.733 -32.537 1.00 1.00 H new ATOM 0 HB3 ASP A 82 -12.794 6.048 -32.817 1.00 1.00 H new ATOM 1302 N ASP A 83 -11.827 4.875 -30.215 1.00 1.00 N ATOM 1303 CA ASP A 83 -10.528 4.313 -29.888 1.00 1.00 C ATOM 1304 C ASP A 83 -10.712 3.158 -28.901 1.00 1.00 C ATOM 1305 O ASP A 83 -10.150 2.080 -29.091 1.00 1.00 O ATOM 1306 CB ASP A 83 -9.626 5.358 -29.229 1.00 1.00 C ATOM 1307 CG ASP A 83 -8.670 6.080 -30.181 1.00 1.00 C ATOM 1308 OD1 ASP A 83 -7.600 5.498 -30.460 1.00 1.00 O ATOM 1309 OD2 ASP A 83 -9.032 7.197 -30.610 1.00 1.00 O ATOM 0 H ASP A 83 -12.063 5.728 -29.708 1.00 1.00 H new ATOM 0 HA ASP A 83 -10.066 3.970 -30.814 1.00 1.00 H new ATOM 0 HB2 ASP A 83 -10.255 6.100 -28.737 1.00 1.00 H new ATOM 0 HB3 ASP A 83 -9.040 4.871 -28.450 1.00 1.00 H new ATOM 1314 N ARG A 84 -11.500 3.422 -27.870 1.00 1.00 N ATOM 1315 CA ARG A 84 -11.764 2.418 -26.853 1.00 1.00 C ATOM 1316 C ARG A 84 -12.380 1.169 -27.488 1.00 1.00 C ATOM 1317 O ARG A 84 -12.101 0.050 -27.062 1.00 1.00 O ATOM 1318 CB ARG A 84 -12.712 2.957 -25.780 1.00 1.00 C ATOM 1319 CG ARG A 84 -13.987 3.522 -26.409 1.00 1.00 C ATOM 1320 CD ARG A 84 -14.984 3.957 -25.332 1.00 1.00 C ATOM 1321 NE ARG A 84 -16.363 3.629 -25.758 1.00 1.00 N ATOM 1322 CZ ARG A 84 -17.458 3.920 -25.043 1.00 1.00 C ATOM 1323 NH1 ARG A 84 -17.342 4.545 -23.863 1.00 1.00 N ATOM 1324 NH2 ARG A 84 -18.670 3.585 -25.507 1.00 1.00 N ATOM 0 H ARG A 84 -11.965 4.317 -27.716 1.00 1.00 H new ATOM 0 HA ARG A 84 -10.813 2.161 -26.386 1.00 1.00 H new ATOM 0 HB2 ARG A 84 -12.969 2.160 -25.083 1.00 1.00 H new ATOM 0 HB3 ARG A 84 -12.211 3.735 -25.204 1.00 1.00 H new ATOM 0 HG2 ARG A 84 -13.738 4.372 -27.044 1.00 1.00 H new ATOM 0 HG3 ARG A 84 -14.445 2.769 -27.051 1.00 1.00 H new ATOM 0 HD2 ARG A 84 -14.757 3.457 -24.391 1.00 1.00 H new ATOM 0 HD3 ARG A 84 -14.895 5.029 -25.153 1.00 1.00 H new ATOM 0 HE ARG A 84 -16.487 3.152 -26.651 1.00 1.00 H new ATOM 0 HH11 ARG A 84 -16.420 4.799 -23.509 1.00 1.00 H new ATOM 0 HH12 ARG A 84 -18.176 4.766 -23.319 1.00 1.00 H new ATOM 0 HH21 ARG A 84 -18.759 3.108 -26.404 1.00 1.00 H new ATOM 0 HH22 ARG A 84 -19.504 3.807 -24.963 1.00 1.00 H new ATOM 1338 N SER A 85 -13.207 1.404 -28.497 1.00 1.00 N ATOM 1339 CA SER A 85 -13.864 0.312 -29.194 1.00 1.00 C ATOM 1340 C SER A 85 -12.933 -0.262 -30.264 1.00 1.00 C ATOM 1341 O SER A 85 -13.380 -0.960 -31.172 1.00 1.00 O ATOM 1342 CB SER A 85 -15.177 0.775 -29.828 1.00 1.00 C ATOM 1343 OG SER A 85 -15.948 -0.319 -30.318 1.00 1.00 O ATOM 0 H SER A 85 -13.436 2.334 -28.848 1.00 1.00 H new ATOM 0 HA SER A 85 -14.096 -0.467 -28.467 1.00 1.00 H new ATOM 0 HB2 SER A 85 -15.760 1.328 -29.092 1.00 1.00 H new ATOM 0 HB3 SER A 85 -14.962 1.462 -30.646 1.00 1.00 H new ATOM 0 HG SER A 85 -15.360 -0.953 -30.779 1.00 1.00 H new ATOM 1349 N LYS A 86 -11.654 0.052 -30.120 1.00 1.00 N ATOM 1350 CA LYS A 86 -10.655 -0.424 -31.062 1.00 1.00 C ATOM 1351 C LYS A 86 -9.969 -1.665 -30.487 1.00 1.00 C ATOM 1352 O LYS A 86 -9.496 -2.519 -31.236 1.00 1.00 O ATOM 1353 CB LYS A 86 -9.685 0.701 -31.428 1.00 1.00 C ATOM 1354 CG LYS A 86 -9.230 0.580 -32.884 1.00 1.00 C ATOM 1355 CD LYS A 86 -8.940 1.958 -33.484 1.00 1.00 C ATOM 1356 CE LYS A 86 -9.495 2.064 -34.905 1.00 1.00 C ATOM 1357 NZ LYS A 86 -8.781 3.116 -35.663 1.00 1.00 N ATOM 0 H LYS A 86 -11.286 0.631 -29.365 1.00 1.00 H new ATOM 0 HA LYS A 86 -11.126 -0.724 -31.998 1.00 1.00 H new ATOM 0 HB2 LYS A 86 -10.167 1.666 -31.273 1.00 1.00 H new ATOM 0 HB3 LYS A 86 -8.818 0.668 -30.768 1.00 1.00 H new ATOM 0 HG2 LYS A 86 -8.335 -0.040 -32.939 1.00 1.00 H new ATOM 0 HG3 LYS A 86 -10.001 0.079 -33.469 1.00 1.00 H new ATOM 0 HD2 LYS A 86 -9.384 2.732 -32.858 1.00 1.00 H new ATOM 0 HD3 LYS A 86 -7.864 2.135 -33.496 1.00 1.00 H new ATOM 0 HE2 LYS A 86 -9.391 1.106 -35.415 1.00 1.00 H new ATOM 0 HE3 LYS A 86 -10.560 2.292 -34.870 1.00 1.00 H new ATOM 0 HZ1 LYS A 86 -9.170 3.175 -36.626 1.00 1.00 H new ATOM 0 HZ2 LYS A 86 -8.902 4.031 -35.184 1.00 1.00 H new ATOM 0 HZ3 LYS A 86 -7.769 2.882 -35.712 1.00 1.00 H new ATOM 1371 N ILE A 87 -9.938 -1.726 -29.164 1.00 1.00 N ATOM 1372 CA ILE A 87 -9.318 -2.848 -28.481 1.00 1.00 C ATOM 1373 C ILE A 87 -10.292 -3.409 -27.443 1.00 1.00 C ATOM 1374 O ILE A 87 -9.941 -3.555 -26.273 1.00 1.00 O ATOM 1375 CB ILE A 87 -7.964 -2.439 -27.897 1.00 1.00 C ATOM 1376 CG1 ILE A 87 -7.095 -3.666 -27.616 1.00 1.00 C ATOM 1377 CG2 ILE A 87 -8.146 -1.567 -26.652 1.00 1.00 C ATOM 1378 CD1 ILE A 87 -5.748 -3.559 -28.333 1.00 1.00 C ATOM 0 H ILE A 87 -10.332 -1.016 -28.547 1.00 1.00 H new ATOM 0 HA ILE A 87 -9.105 -3.652 -29.186 1.00 1.00 H new ATOM 0 HB ILE A 87 -7.439 -1.837 -28.638 1.00 1.00 H new ATOM 0 HG12 ILE A 87 -6.933 -3.763 -26.543 1.00 1.00 H new ATOM 0 HG13 ILE A 87 -7.615 -4.567 -27.943 1.00 1.00 H new ATOM 0 HG21 ILE A 87 -7.169 -1.290 -26.256 1.00 1.00 H new ATOM 0 HG22 ILE A 87 -8.699 -0.666 -26.917 1.00 1.00 H new ATOM 0 HG23 ILE A 87 -8.699 -2.124 -25.896 1.00 1.00 H new ATOM 0 HD11 ILE A 87 -5.149 -4.444 -28.117 1.00 1.00 H new ATOM 0 HD12 ILE A 87 -5.913 -3.486 -29.408 1.00 1.00 H new ATOM 0 HD13 ILE A 87 -5.221 -2.670 -27.986 1.00 1.00 H new ATOM 1390 N ALA A 88 -11.495 -3.708 -27.909 1.00 1.00 N ATOM 1391 CA ALA A 88 -12.523 -4.250 -27.035 1.00 1.00 C ATOM 1392 C ALA A 88 -12.940 -3.182 -26.022 1.00 1.00 C ATOM 1393 O ALA A 88 -14.001 -2.574 -26.157 1.00 1.00 O ATOM 1394 CB ALA A 88 -12.002 -5.521 -26.361 1.00 1.00 C ATOM 0 H ALA A 88 -11.782 -3.586 -28.880 1.00 1.00 H new ATOM 0 HA ALA A 88 -13.409 -4.524 -27.608 1.00 1.00 H new ATOM 0 HB1 ALA A 88 -12.772 -5.927 -25.706 1.00 1.00 H new ATOM 0 HB2 ALA A 88 -11.747 -6.258 -27.122 1.00 1.00 H new ATOM 0 HB3 ALA A 88 -11.115 -5.284 -25.774 1.00 1.00 H new ATOM 1400 N LYS A 89 -12.083 -2.985 -25.031 1.00 1.00 N ATOM 1401 CA LYS A 89 -12.349 -2.001 -23.996 1.00 1.00 C ATOM 1402 C LYS A 89 -11.299 -2.133 -22.891 1.00 1.00 C ATOM 1403 O LYS A 89 -11.136 -3.204 -22.310 1.00 1.00 O ATOM 1404 CB LYS A 89 -13.789 -2.127 -23.495 1.00 1.00 C ATOM 1405 CG LYS A 89 -14.648 -0.964 -23.996 1.00 1.00 C ATOM 1406 CD LYS A 89 -16.005 -1.461 -24.497 1.00 1.00 C ATOM 1407 CE LYS A 89 -16.479 -0.643 -25.700 1.00 1.00 C ATOM 1408 NZ LYS A 89 -17.324 -1.470 -26.589 1.00 1.00 N ATOM 0 H LYS A 89 -11.204 -3.490 -24.923 1.00 1.00 H new ATOM 0 HA LYS A 89 -12.263 -0.992 -24.398 1.00 1.00 H new ATOM 0 HB2 LYS A 89 -14.215 -3.071 -23.835 1.00 1.00 H new ATOM 0 HB3 LYS A 89 -13.798 -2.147 -22.405 1.00 1.00 H new ATOM 0 HG2 LYS A 89 -14.795 -0.243 -23.192 1.00 1.00 H new ATOM 0 HG3 LYS A 89 -14.128 -0.443 -24.800 1.00 1.00 H new ATOM 0 HD2 LYS A 89 -15.931 -2.513 -24.774 1.00 1.00 H new ATOM 0 HD3 LYS A 89 -16.740 -1.394 -23.695 1.00 1.00 H new ATOM 0 HE2 LYS A 89 -17.042 0.225 -25.358 1.00 1.00 H new ATOM 0 HE3 LYS A 89 -15.618 -0.267 -26.253 1.00 1.00 H new ATOM 0 HZ1 LYS A 89 -17.637 -0.899 -27.400 1.00 1.00 H new ATOM 0 HZ2 LYS A 89 -16.775 -2.285 -26.930 1.00 1.00 H new ATOM 0 HZ3 LYS A 89 -18.155 -1.808 -26.063 1.00 1.00 H new ATOM 1422 N PRO A 90 -10.597 -0.998 -22.627 1.00 1.00 N ATOM 1423 CA PRO A 90 -9.568 -0.977 -21.601 1.00 1.00 C ATOM 1424 C PRO A 90 -10.187 -0.961 -20.202 1.00 1.00 C ATOM 1425 O PRO A 90 -10.868 -0.005 -19.832 1.00 1.00 O ATOM 1426 CB PRO A 90 -8.741 0.263 -21.899 1.00 1.00 C ATOM 1427 CG PRO A 90 -9.609 1.138 -22.789 1.00 1.00 C ATOM 1428 CD PRO A 90 -10.764 0.289 -23.294 1.00 1.00 C ATOM 0 HA PRO A 90 -8.943 -1.870 -21.615 1.00 1.00 H new ATOM 0 HB2 PRO A 90 -8.474 0.784 -20.980 1.00 1.00 H new ATOM 0 HB3 PRO A 90 -7.809 0.000 -22.399 1.00 1.00 H new ATOM 0 HG2 PRO A 90 -9.982 1.997 -22.232 1.00 1.00 H new ATOM 0 HG3 PRO A 90 -9.028 1.528 -23.625 1.00 1.00 H new ATOM 0 HD2 PRO A 90 -11.725 0.741 -23.048 1.00 1.00 H new ATOM 0 HD3 PRO A 90 -10.731 0.180 -24.378 1.00 1.00 H new ATOM 1436 N SER A 91 -9.929 -2.030 -19.463 1.00 1.00 N ATOM 1437 CA SER A 91 -10.453 -2.150 -18.113 1.00 1.00 C ATOM 1438 C SER A 91 -11.975 -1.992 -18.127 1.00 1.00 C ATOM 1439 O SER A 91 -12.486 -0.884 -18.278 1.00 1.00 O ATOM 1440 CB SER A 91 -9.820 -1.114 -17.183 1.00 1.00 C ATOM 1441 OG SER A 91 -10.449 -1.091 -15.904 1.00 1.00 O ATOM 0 H SER A 91 -9.364 -2.821 -19.773 1.00 1.00 H new ATOM 0 HA SER A 91 -10.200 -3.140 -17.734 1.00 1.00 H new ATOM 0 HB2 SER A 91 -8.760 -1.335 -17.062 1.00 1.00 H new ATOM 0 HB3 SER A 91 -9.889 -0.127 -17.639 1.00 1.00 H new ATOM 0 HG SER A 91 -10.016 -0.418 -15.338 1.00 1.00 H new ATOM 1447 N GLU A 92 -12.656 -3.118 -17.966 1.00 1.00 N ATOM 1448 CA GLU A 92 -14.109 -3.118 -17.957 1.00 1.00 C ATOM 1449 C GLU A 92 -14.648 -2.770 -19.346 1.00 1.00 C ATOM 1450 O GLU A 92 -13.894 -2.346 -20.220 1.00 1.00 O ATOM 1451 CB GLU A 92 -14.651 -2.154 -16.901 1.00 1.00 C ATOM 1452 CG GLU A 92 -15.179 -2.915 -15.683 1.00 1.00 C ATOM 1453 CD GLU A 92 -15.144 -2.037 -14.430 1.00 1.00 C ATOM 1454 OE1 GLU A 92 -14.017 -1.729 -13.984 1.00 1.00 O ATOM 1455 OE2 GLU A 92 -16.244 -1.694 -13.946 1.00 1.00 O ATOM 0 H GLU A 92 -12.228 -4.036 -17.841 1.00 1.00 H new ATOM 0 HA GLU A 92 -14.451 -4.119 -17.696 1.00 1.00 H new ATOM 0 HB2 GLU A 92 -13.863 -1.467 -16.592 1.00 1.00 H new ATOM 0 HB3 GLU A 92 -15.450 -1.550 -17.331 1.00 1.00 H new ATOM 0 HG2 GLU A 92 -16.200 -3.246 -15.871 1.00 1.00 H new ATOM 0 HG3 GLU A 92 -14.579 -3.810 -15.521 1.00 1.00 H new ATOM 1462 N THR A 93 -15.949 -2.962 -19.506 1.00 1.00 N ATOM 1463 CA THR A 93 -16.598 -2.673 -20.774 1.00 1.00 C ATOM 1464 C THR A 93 -18.105 -2.506 -20.575 1.00 1.00 C ATOM 1465 O THR A 93 -18.693 -1.534 -21.048 1.00 1.00 O ATOM 1466 CB THR A 93 -16.234 -3.789 -21.756 1.00 1.00 C ATOM 1467 OG1 THR A 93 -17.012 -3.499 -22.914 1.00 1.00 O ATOM 1468 CG2 THR A 93 -16.741 -5.158 -21.299 1.00 1.00 C ATOM 0 H THR A 93 -16.571 -3.314 -18.779 1.00 1.00 H new ATOM 0 HA THR A 93 -16.250 -1.728 -21.191 1.00 1.00 H new ATOM 0 HB THR A 93 -15.152 -3.826 -21.880 1.00 1.00 H new ATOM 0 HG1 THR A 93 -16.836 -4.173 -23.603 1.00 1.00 H new ATOM 0 HG21 THR A 93 -16.456 -5.914 -22.031 1.00 1.00 H new ATOM 0 HG22 THR A 93 -16.302 -5.405 -20.332 1.00 1.00 H new ATOM 0 HG23 THR A 93 -17.827 -5.132 -21.208 1.00 1.00 H new ATOM 1476 N LEU A 94 -18.688 -3.468 -19.876 1.00 1.00 N ATOM 1477 CA LEU A 94 -20.117 -3.439 -19.609 1.00 1.00 C ATOM 1478 C LEU A 94 -20.856 -2.970 -20.863 1.00 1.00 C ATOM 1479 O LEU A 94 -20.529 -3.386 -21.973 1.00 1.00 O ATOM 1480 CB LEU A 94 -20.413 -2.594 -18.368 1.00 1.00 C ATOM 1481 CG LEU A 94 -20.585 -1.093 -18.605 1.00 1.00 C ATOM 1482 CD1 LEU A 94 -21.957 -0.787 -19.209 1.00 1.00 C ATOM 1483 CD2 LEU A 94 -20.337 -0.303 -17.318 1.00 1.00 C ATOM 0 H LEU A 94 -18.197 -4.273 -19.486 1.00 1.00 H new ATOM 0 HA LEU A 94 -20.482 -4.440 -19.379 1.00 1.00 H new ATOM 0 HB2 LEU A 94 -21.322 -2.975 -17.902 1.00 1.00 H new ATOM 0 HB3 LEU A 94 -19.603 -2.738 -17.653 1.00 1.00 H new ATOM 0 HG LEU A 94 -19.836 -0.773 -19.329 1.00 1.00 H new ATOM 0 HD11 LEU A 94 -22.053 0.287 -19.367 1.00 1.00 H new ATOM 0 HD12 LEU A 94 -22.058 -1.305 -20.163 1.00 1.00 H new ATOM 0 HD13 LEU A 94 -22.738 -1.125 -18.528 1.00 1.00 H new ATOM 0 HD21 LEU A 94 -20.466 0.761 -17.514 1.00 1.00 H new ATOM 0 HD22 LEU A 94 -21.047 -0.620 -16.554 1.00 1.00 H new ATOM 0 HD23 LEU A 94 -19.321 -0.487 -16.968 1.00 1.00 H new TER 1495 LEU A 94 HETATM 1496 FE HEM A 95 0.657 2.686 -9.874 1.00 1.00 FE HETATM 1497 CHA HEM A 95 1.405 1.307 -6.903 1.00 1.00 C HETATM 1498 CHB HEM A 95 2.116 0.062 -11.463 1.00 1.00 C HETATM 1499 CHC HEM A 95 -0.125 4.075 -12.852 1.00 1.00 C HETATM 1500 CHD HEM A 95 -0.832 5.319 -8.293 1.00 1.00 C HETATM 1501 NA HEM A 95 1.586 1.023 -9.271 1.00 1.00 N HETATM 1502 C1A HEM A 95 1.782 0.629 -7.978 1.00 1.00 C HETATM 1503 C2A HEM A 95 2.495 -0.645 -7.984 1.00 1.00 C HETATM 1504 C3A HEM A 95 2.685 -0.991 -9.269 1.00 1.00 C HETATM 1505 C4A HEM A 95 2.106 0.047 -10.072 1.00 1.00 C HETATM 1506 CMA HEM A 95 3.424 -2.233 -9.744 1.00 1.00 C HETATM 1507 CAA HEM A 95 3.488 -1.187 -6.894 1.00 1.00 C HETATM 1508 CBA HEM A 95 4.932 -0.656 -6.746 1.00 1.00 C HETATM 1509 CGA HEM A 95 5.772 -0.850 -8.001 1.00 1.00 C HETATM 1510 O1A HEM A 95 6.414 -1.921 -8.140 1.00 1.00 O HETATM 1511 O2A HEM A 95 5.792 0.057 -8.871 1.00 1.00 O HETATM 1512 NB HEM A 95 0.942 2.186 -11.781 1.00 1.00 N HETATM 1513 C1B HEM A 95 1.569 1.066 -12.234 1.00 1.00 C HETATM 1514 C2B HEM A 95 1.575 1.044 -13.688 1.00 1.00 C HETATM 1515 C3B HEM A 95 0.951 2.164 -14.083 1.00 1.00 C HETATM 1516 C4B HEM A 95 0.528 2.887 -12.883 1.00 1.00 C HETATM 1517 CMB HEM A 95 2.179 -0.001 -14.611 1.00 1.00 C HETATM 1518 CAB HEM A 95 0.721 2.592 -15.512 1.00 1.00 C HETATM 1519 CBB HEM A 95 0.500 1.952 -16.529 1.00 1.00 C HETATM 1520 NC HEM A 95 -0.305 4.361 -10.465 1.00 1.00 N HETATM 1521 C1C HEM A 95 -0.517 4.761 -11.753 1.00 1.00 C HETATM 1522 C2C HEM A 95 -1.211 6.027 -11.772 1.00 1.00 C HETATM 1523 C3C HEM A 95 -1.435 6.372 -10.450 1.00 1.00 C HETATM 1524 C4C HEM A 95 -0.842 5.341 -9.654 1.00 1.00 C HETATM 1525 CMC HEM A 95 -1.668 6.832 -12.944 1.00 1.00 C HETATM 1526 CAC HEM A 95 -2.142 7.613 -10.011 1.00 1.00 C HETATM 1527 CBC HEM A 95 -3.006 8.123 -10.462 1.00 1.00 C HETATM 1528 ND HEM A 95 0.347 3.195 -7.957 1.00 1.00 N HETATM 1529 C1D HEM A 95 -0.289 4.333 -7.501 1.00 1.00 C HETATM 1530 C2D HEM A 95 -0.292 4.328 -6.025 1.00 1.00 C HETATM 1531 C3D HEM A 95 0.331 3.215 -5.675 1.00 1.00 C HETATM 1532 C4D HEM A 95 0.729 2.502 -6.865 1.00 1.00 C HETATM 1533 CMD HEM A 95 -0.897 5.381 -5.147 1.00 1.00 C HETATM 1534 CAD HEM A 95 0.463 2.457 -4.256 1.00 1.00 C HETATM 1535 CBD HEM A 95 -0.574 1.311 -4.167 1.00 1.00 C HETATM 1536 CGD HEM A 95 -1.201 1.227 -2.775 1.00 1.00 C HETATM 1537 O1D HEM A 95 -0.867 0.440 -1.891 1.00 1.00 O HETATM 1538 O2D HEM A 95 -2.335 1.913 -2.783 1.00 1.00 O HETATM 0 HMA1 HEM A 95 3.037 -2.537 -10.717 1.00 1.00 H new HETATM 0 HMA2 HEM A 95 3.277 -3.041 -9.027 1.00 1.00 H new HETATM 0 HMA3 HEM A 95 4.488 -2.013 -9.829 1.00 1.00 H new HETATM 0 HMB1 HEM A 95 3.042 -0.459 -14.127 1.00 1.00 H new HETATM 0 HMB2 HEM A 95 2.493 0.473 -15.541 1.00 1.00 H new HETATM 0 HMB3 HEM A 95 1.436 -0.768 -14.828 1.00 1.00 H new HETATM 0 HMC1 HEM A 95 -0.999 6.659 -13.787 1.00 1.00 H new HETATM 0 HMC2 HEM A 95 -1.659 7.891 -12.684 1.00 1.00 H new HETATM 0 HMC3 HEM A 95 -2.680 6.534 -13.217 1.00 1.00 H new HETATM 0 HMD1 HEM A 95 -1.234 4.928 -4.214 1.00 1.00 H new HETATM 0 HMD2 HEM A 95 -1.746 5.836 -5.657 1.00 1.00 H new HETATM 0 HMD3 HEM A 95 -0.152 6.146 -4.930 1.00 1.00 H new HETATM 0 HBB1 HEM A 95 0.361 2.469 -17.479 1.00 1.00 H new HETATM 0 HBB2 HEM A 95 0.442 0.864 -16.487 1.00 1.00 H new HETATM 0 HBC1 HEM A 95 -3.402 9.031 -10.007 1.00 1.00 H new HETATM 0 HBC2 HEM A 95 -3.467 7.720 -11.364 1.00 1.00 H new HETATM 0 HBA1 HEM A 95 5.415 -1.163 -5.911 1.00 1.00 H new HETATM 0 HBA2 HEM A 95 4.899 0.405 -6.499 1.00 1.00 H new HETATM 0 HAA1 HEM A 95 3.566 -2.263 -7.051 1.00 1.00 H new HETATM 0 HAA2 HEM A 95 3.002 -1.040 -5.929 1.00 1.00 H new HETATM 0 HBD1 HEM A 95 -0.092 0.363 -4.407 1.00 1.00 H new HETATM 0 HBD2 HEM A 95 -1.356 1.468 -4.910 1.00 1.00 H new HETATM 0 HAD1 HEM A 95 0.306 3.164 -3.441 1.00 1.00 H new HETATM 0 HAD2 HEM A 95 1.470 2.056 -4.141 1.00 1.00 H new HETATM 0 HHA HEM A 95 1.658 0.870 -5.948 1.00 1.00 H new HETATM 0 HHB HEM A 95 2.583 -0.768 -11.973 1.00 1.00 H new HETATM 0 HHC HEM A 95 -0.357 4.522 -13.807 1.00 1.00 H new HETATM 0 HHD HEM A 95 -1.294 6.154 -7.787 1.00 1.00 H new HETATM 0 HAB HEM A 95 0.759 3.671 -15.665 1.00 1.00 H new HETATM 0 HAC HEM A 95 -1.743 8.082 -9.112 1.00 1.00 H new CONECT 673 1496 CONECT 999 1496 CONECT 1496 673 999 1501 1512 CONECT 1496 1520 1528 CONECT 1497 1502 1532 1539 CONECT 1498 1505 1513 1540 CONECT 1499 1516 1521 1541 CONECT 1500 1524 1529 1542 CONECT 1501 1496 1502 1505 CONECT 1502 1497 1501 1503 CONECT 1503 1502 1504 1507 CONECT 1504 1503 1505 1506 CONECT 1505 1498 1501 1504 CONECT 1506 1504 1543 1544 1545 CONECT 1507 1503 1508 1546 1547 CONECT 1508 1507 1509 1548 1549 CONECT 1509 1508 1510 1511 CONECT 1510 1509 CONECT 1511 1509 CONECT 1512 1496 1513 1516 CONECT 1513 1498 1512 1514 CONECT 1514 1513 1515 1517 CONECT 1515 1514 1516 1518 CONECT 1516 1499 1512 1515 CONECT 1517 1514 1550 1551 1552 CONECT 1518 1515 1519 1553 CONECT 1519 1518 1554 1555 CONECT 1520 1496 1521 1524 CONECT 1521 1499 1520 1522 CONECT 1522 1521 1523 1525 CONECT 1523 1522 1524 1526 CONECT 1524 1500 1520 1523 CONECT 1525 1522 1556 1557 1558 CONECT 1526 1523 1527 1559 CONECT 1527 1526 1560 1561 CONECT 1528 1496 1529 1532 CONECT 1529 1500 1528 1530 CONECT 1530 1529 1531 1533 CONECT 1531 1530 1532 1534 CONECT 1532 1497 1528 1531 CONECT 1533 1530 1562 1563 1564 CONECT 1534 1531 1535 1565 1566 CONECT 1535 1534 1536 1567 1568 CONECT 1536 1535 1537 1538 CONECT 1537 1536 CONECT 1538 1536 CONECT 1539 1497 CONECT 1540 1498 CONECT 1541 1499 CONECT 1542 1500 CONECT 1543 1506 CONECT 1544 1506 CONECT 1545 1506 CONECT 1546 1507 CONECT 1547 1507 CONECT 1548 1508 CONECT 1549 1508 CONECT 1550 1517 CONECT 1551 1517 CONECT 1552 1517 CONECT 1553 1518 CONECT 1554 1519 CONECT 1555 1519 CONECT 1556 1525 CONECT 1557 1525 CONECT 1558 1525 CONECT 1559 1526 CONECT 1560 1527 CONECT 1561 1527 CONECT 1562 1533 CONECT 1563 1533 CONECT 1564 1533 CONECT 1565 1534 CONECT 1566 1534 CONECT 1567 1535 CONECT 1568 1535 END